#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 3.44 -0.14 4.78 6.14 -1.26 -4.92 117.35 125.39 3fhq s TYR 3 Ca 0.00 1.41 0.18 0.00 0.64 0.00 0.00 57.07 59.30 3fhq s TYR 3 Cb 0.00 -3.12 0.33 0.00 0.42 0.00 0.00 41.96 39.60 3fhq s TYR 3 CO 0.00 -0.27 1.20 0.09 0.64 0.00 0.00 175.55 177.21 3fhq n ASN 4 N 5.33 2.66 -3.28 4.32 4.13 -1.26 -5.05 115.26 122.11 3fhq n ASN 4 Ca 0.07 -3.05 -0.16 0.00 1.68 0.00 0.00 54.58 53.12 3fhq n ASN 4 Cb 0.48 -0.45 0.10 0.00 -1.54 0.00 0.00 39.78 38.38 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 -1.23 -0.47 3.76 7.41 0.00 -1.26 -4.60 105.19 108.81 3fhq n GLY 5 Ca 0.17 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 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 -4.40 3.66 0.06 1.61 0.02 -1.26 -4.95 135.00 129.74 3fhq s PRO 6 Ca 0.42 2.32 0.09 0.00 0.02 0.00 0.00 61.00 63.85 3fhq s PRO 6 Cb -0.02 -2.61 -0.03 0.00 0.02 0.00 0.00 34.50 31.87 3fhq s PRO 6 CO 0.29 -0.80 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.41 3fhq s LEU 7 N -2.79 2.20 0.37 -5.54 1.43 -1.26 -1.30 118.68 111.78 3fhq s LEU 7 Ca 0.62 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 3fhq s LEU 7 Cb -0.42 -1.12 -0.11 0.00 0.03 0.00 0.00 46.19 44.58 3fhq s LEU 7 CO 0.53 0.19 1.44 -0.24 0.23 0.00 0.00 176.35 178.50 3fhq n SER 8 N 1.62 3.53 -4.82 2.29 2.88 0.11 -4.70 113.62 114.53 3fhq n SER 8 Ca -0.17 1.22 -0.32 0.00 -1.33 0.00 0.00 58.87 58.26 3fhq n SER 8 Cb 0.53 -1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 62.39 3fhq n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3fhq s SER 9 N -0.19 6.14 -0.07 -3.46 0.01 -1.26 -4.74 113.70 110.13 3fhq s SER 9 Ca 0.54 1.69 -0.26 0.00 1.31 0.00 0.00 55.95 59.23 3fhq s SER 9 Cb -0.50 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.27 3fhq s SER 9 CO 0.63 -0.92 0.60 -1.38 0.41 0.00 0.00 173.24 172.58 3fhq s HIS 10 N -2.57 -0.57 -0.01 2.43 -3.43 -1.26 -4.27 115.29 105.61 3fhq s HIS 10 Ca 0.61 1.03 -0.06 0.00 -0.80 0.00 0.00 55.06 55.84 3fhq s HIS 10 Cb -0.13 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 3fhq s HIS 10 CO 0.36 -0.53 0.13 -1.58 -2.00 0.00 0.00 174.74 171.12 3fhq s TRP 11 N -1.01 0.02 0.46 0.38 0.51 -0.38 -4.94 118.94 113.97 3fhq s TRP 11 Ca -0.10 -0.05 -0.03 0.00 -2.12 0.00 0.00 56.10 53.79 3fhq s TRP 11 Cb -0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 33.47 32.58 3fhq s TRP 11 CO 0.08 -0.24 0.73 -0.06 -0.51 0.00 0.00 176.95 176.95 3fhq s PHE 12 N -1.08 3.46 0.30 -1.98 0.08 -1.26 -1.00 117.98 116.50 3fhq s PHE 12 Ca -0.12 0.60 0.04 0.00 0.12 0.00 0.00 56.93 57.57 3fhq s PHE 12 Cb -0.06 -2.26 0.64 0.00 -0.57 0.00 0.00 43.02 40.76 3fhq s PHE 12 CO 0.01 -0.27 1.83 -1.35 -0.10 0.00 0.00 175.22 175.35 3fhq h PRO 13 N 0.32 0.87 0.00 0.24 0.11 -1.99 -1.69 132.00 129.87 3fhq h PRO 13 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3fhq h PRO 13 Cb 1.22 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3fhq h PRO 13 CO 0.61 0.58 -0.35 0.93 -0.21 0.00 0.00 178.00 179.56 3fhq h GLU 14 N 0.90 0.00 -0.11 1.05 4.39 -1.96 -2.16 114.58 116.69 3fhq h GLU 14 Ca 0.50 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.99 3fhq h GLU 14 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3fhq h GLU 14 CO -0.27 0.35 -0.77 0.93 -1.16 0.00 0.00 179.01 178.08 3fhq h GLU 15 N 0.00 0.61 -0.18 2.33 5.08 -1.71 -3.27 114.58 117.44 3fhq h GLU 15 Ca -0.00 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3fhq h GLU 15 Cb 0.64 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3fhq h GLU 15 CO 0.05 1.13 0.07 1.25 -1.00 0.00 0.00 179.01 180.50 3fhq h LEU 16 N 0.41 0.26 -0.89 1.33 5.85 -1.25 -2.02 115.31 118.99 3fhq h LEU 16 Ca -0.05 -0.18 0.23 0.00 0.84 0.00 0.00 57.88 58.72 3fhq h LEU 16 Cb 1.38 -0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.19 3fhq h LEU 16 CO 0.15 0.37 0.05 0.00 -0.34 0.00 0.00 178.44 178.67 3fhq h ALA 17 N 0.90 1.05 -0.67 1.25 0.00 -1.47 0.38 119.26 120.69 3fhq h ALA 17 Ca 0.06 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3fhq h ALA 17 Cb 0.20 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3fhq h ALA 17 CO -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.75 3fhq n GLN 18 N -5.40 3.60 -2.79 0.00 10.64 -1.10 -4.94 117.38 117.40 3fhq n GLN 18 Ca 0.19 -2.85 -0.41 0.00 -1.83 0.00 0.00 57.00 52.10 3fhq n GLN 18 Cb 0.64 -1.86 -0.03 0.00 -0.86 0.00 0.00 30.24 28.13 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 -1.73 3.62 -0.10 2.61 -0.00 0.12 -5.04 118.94 118.42 3fhq s TRP 19 Ca 0.51 1.57 0.00 0.00 -0.00 0.00 0.00 56.10 58.19 3fhq s TRP 19 Cb 0.32 -3.05 0.02 0.00 -0.00 0.00 0.00 33.47 30.76 3fhq s TRP 19 CO 0.26 -0.02 -0.09 -1.21 -0.00 0.00 0.00 176.95 175.89 3fhq s GLU 20 N 1.11 1.63 0.23 5.86 0.41 -1.26 -5.02 118.70 121.66 3fhq s GLU 20 Ca 0.48 -0.32 -0.06 0.00 -0.41 0.00 0.00 54.97 54.66 3fhq s GLU 20 Cb -0.20 -1.57 0.39 0.00 -1.78 0.00 0.00 34.13 30.97 3fhq s GLU 20 CO 0.24 -0.18 1.74 -1.35 -0.49 0.00 0.00 175.26 175.22 3fhq h PRO 21 N 7.83 0.44 0.00 0.39 0.11 -1.96 -1.05 132.00 137.76 3fhq h PRO 21 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3fhq h PRO 21 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fhq h PRO 21 CO 0.44 0.29 0.01 -0.44 -0.21 0.00 0.00 178.00 178.09 3fhq h ASP 22 N 0.45 0.00 -0.00 -2.05 3.32 -2.01 -2.20 116.42 113.93 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 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3fhq h ASP 22 CO -0.36 0.00 -0.43 -1.54 -1.72 0.00 0.00 179.24 175.18 3fhq n SER 23 N -3.03 0.90 -4.55 6.45 3.41 -0.44 -4.90 113.62 111.46 3fhq n SER 23 Ca -0.03 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 3fhq n SER 23 Cb 0.08 0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 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 -1.89 6.41 0.54 4.04 -1.08 -0.83 -4.93 116.67 118.92 3fhq s ASP 24 Ca 0.07 0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.33 3fhq s ASP 24 Cb 0.09 -2.34 1.39 0.00 -1.46 0.00 0.00 42.92 40.61 3fhq s ASP 24 CO 0.41 -0.69 2.07 -0.65 0.52 0.00 0.00 175.17 176.84 3fhq h PRO 25 N 8.63 0.00 0.00 4.34 0.11 -1.91 -2.63 132.00 140.55 3fhq h PRO 25 Ca -0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3fhq h PRO 25 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3fhq h PRO 25 CO 0.87 0.00 -1.15 -0.25 -0.21 0.00 0.00 178.00 177.26 3fhq n ASP 26 N -4.36 0.83 -0.34 -2.05 9.92 -1.26 -4.41 116.55 114.89 3fhq n ASP 26 Ca 0.04 0.34 0.11 0.00 -0.53 0.00 0.00 54.79 54.75 3fhq n ASP 26 Cb 0.37 0.39 0.29 0.00 -0.64 0.00 0.00 41.12 41.53 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 1.82 1.55 0.00 2.24 0.00 -1.74 -1.15 119.26 121.98 3fhq h ALA 27 Ca -0.05 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3fhq h ALA 27 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3fhq h ALA 27 CO 0.01 -0.06 -0.32 -1.35 0.00 0.00 0.00 179.25 177.54 3fhq h PRO 28 N 0.72 0.00 0.00 0.00 0.11 -1.77 -2.09 132.00 128.97 3fhq h PRO 28 Ca 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 3fhq h PRO 28 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3fhq h PRO 28 CO -0.38 0.32 -0.07 0.74 -0.21 0.00 0.00 178.00 178.40 3fhq h PHE 29 N 0.00 0.00 -0.02 0.65 0.04 -1.49 -3.25 116.94 112.86 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 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3fhq h PHE 29 CO 0.00 0.07 -0.10 0.09 -0.60 0.00 0.00 178.31 177.77 3fhq n ASN 30 N -3.16 2.26 -4.71 2.17 3.02 -0.80 -4.72 115.26 109.33 3fhq n ASN 30 Ca 0.02 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 3fhq n ASN 30 Cb 0.42 0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.12 4.47 0.23 3.52 0.52 -1.16 -4.25 118.95 120.15 3fhq s ARG 31 Ca 0.29 1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 56.81 3fhq s ARG 31 Cb 0.20 -3.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 3fhq s ARG 31 CO 0.37 -0.21 1.19 0.45 0.02 0.00 0.00 175.30 177.12 3fhq s SER 32 N 1.10 7.09 -0.23 0.23 0.15 0.93 -4.91 113.70 118.07 3fhq s SER 32 Ca 0.55 2.30 0.12 0.00 0.70 0.00 0.00 55.95 59.63 3fhq s SER 32 Cb -0.25 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 61.91 3fhq s SER 32 CO 0.27 -0.33 1.37 1.41 1.20 0.00 0.00 173.24 177.16 3fhq n HIS 33 N 1.96 0.72 -3.92 3.44 8.25 -1.26 -4.75 115.22 119.65 3fhq n HIS 33 Ca 0.02 -1.33 -0.30 0.00 -0.26 0.00 0.00 57.72 55.85 3fhq n HIS 33 Cb 0.44 -0.36 -0.15 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.10 1.53 0.53 1.59 1.01 -1.26 -4.99 120.40 115.71 3fhq s VAL 34 Ca 0.41 -1.40 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 3fhq s VAL 34 Cb 0.37 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 3fhq s VAL 34 CO 0.01 -0.25 1.14 -2.84 0.00 0.00 0.00 175.10 173.16 3fhq s PRO 35 N 1.36 3.43 -0.24 2.72 0.02 -1.26 -4.78 135.00 136.25 3fhq s PRO 35 Ca -0.01 1.66 -0.34 0.00 0.02 0.00 0.00 61.00 62.32 3fhq s PRO 35 Cb -0.19 -2.09 -0.11 0.00 0.02 0.00 0.00 34.50 32.14 3fhq s PRO 35 CO -0.09 -0.80 2.06 -0.11 -0.33 0.00 0.00 177.00 177.73 3fhq n LEU 36 N -1.14 2.73 -4.66 -5.54 7.94 -1.26 -4.55 117.00 110.53 3fhq n LEU 36 Ca 0.11 0.62 -0.42 0.00 -1.11 0.00 0.00 56.01 55.21 3fhq n LEU 36 Cb 0.50 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 3fhq n LEU 36 CO 0.43 -0.48 1.54 -1.61 -1.11 0.00 0.00 177.39 176.16 3fhq s GLU 37 N 5.32 4.15 0.46 1.96 0.41 -0.62 -4.96 118.70 125.41 3fhq s GLU 37 Ca 1.02 2.50 -0.14 0.00 -0.41 0.00 0.00 54.97 57.95 3fhq s GLU 37 Cb -0.75 -4.11 -0.07 0.00 -1.78 0.00 0.00 34.13 27.41 3fhq s GLU 37 CO 0.50 -0.93 0.88 -1.25 -0.49 0.00 0.00 175.26 173.97 3fhq s PRO 38 N 4.34 3.87 -0.45 0.39 0.05 -1.26 -3.96 135.00 137.99 3fhq s PRO 38 Ca 0.84 0.73 -0.10 0.00 0.05 0.00 0.00 61.00 62.53 3fhq s PRO 38 Cb -0.40 -2.26 0.01 0.00 0.05 0.00 0.00 34.50 31.90 3fhq s PRO 38 CO 0.38 -0.15 0.54 0.41 0.05 0.00 0.00 177.00 178.23 3fhq n GLY 39 N -1.41 -1.20 3.87 0.56 0.00 -1.26 -5.02 105.19 100.72 3fhq n GLY 39 Ca 0.05 0.87 -0.31 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.57 3.66 -0.03 1.61 0.52 -1.26 -4.86 118.95 116.02 3fhq s ARG 40 Ca 0.15 0.76 0.07 0.00 -0.52 0.00 0.00 55.73 56.19 3fhq s ARG 40 Cb -0.04 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 3fhq s ARG 40 CO 0.66 -0.50 -0.24 0.54 0.02 0.00 0.00 175.30 175.78 3fhq s VAL 41 N -3.06 1.94 0.43 3.52 0.11 0.47 -4.87 120.40 118.95 3fhq s VAL 41 Ca 0.55 -1.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.53 3fhq s VAL 41 Cb -0.11 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 3fhq s VAL 41 CO 0.49 0.55 0.71 0.00 -3.33 0.00 0.00 175.10 173.52 3fhq s ALA 42 N -0.41 3.49 0.50 1.54 0.00 -1.26 -0.22 121.76 125.39 3fhq s ALA 42 Ca 0.05 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.51 3fhq s ALA 42 Cb -0.11 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.60 3fhq s ALA 42 CO 0.01 -0.21 0.64 0.16 0.00 0.00 0.00 175.76 176.36 3fhq s ASP 43 N -3.96 5.26 -0.02 0.00 -4.77 0.43 -4.93 116.67 108.68 3fhq s ASP 43 Ca 0.46 -0.72 0.14 0.00 -3.30 0.00 0.00 52.55 49.12 3fhq s ASP 43 Cb -0.10 -0.12 0.24 0.00 -1.09 0.00 0.00 42.92 41.85 3fhq s ASP 43 CO 0.41 -1.05 1.10 0.54 0.70 0.00 0.00 175.17 176.87 3fhq n ARG 44 N -1.99 0.16 0.16 2.11 1.74 -1.26 -4.66 116.66 112.91 3fhq n ARG 44 Ca 0.10 -1.69 0.13 0.00 -0.77 0.00 0.00 57.85 55.63 3fhq n ARG 44 Cb 0.61 -0.38 0.35 0.00 -1.02 0.00 0.00 32.46 32.02 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 6.28 0.00 -3.52 1.55 -1.51 -1.97 -3.42 116.25 113.67 3fhq h VAL 45 Ca -0.11 -0.64 -0.66 0.00 -1.23 0.00 0.00 66.70 64.06 3fhq h VAL 45 Cb 1.59 1.61 -0.27 0.00 -2.13 0.00 0.00 31.29 32.09 3fhq h VAL 45 CO 0.05 0.00 -0.68 0.21 -1.23 0.00 0.00 177.57 175.92 3fhq s ASN 46 N -5.18 4.68 0.42 4.19 3.84 -1.26 -4.48 114.94 117.15 3fhq s ASN 46 Ca 0.08 -0.53 0.18 0.00 0.21 0.00 0.00 52.86 52.80 3fhq s ASN 46 Cb 0.09 -1.80 0.92 0.00 -0.55 0.00 0.00 41.25 39.91 3fhq s ASN 46 CO 0.60 -0.09 1.88 0.00 -2.79 0.00 0.00 177.10 176.69 3fhq h ALA 47 N 8.15 1.27 0.00 1.71 0.00 -1.83 -2.65 119.26 125.92 3fhq h ALA 47 Ca -0.37 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3fhq h ALA 47 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3fhq h ALA 47 CO 0.60 0.37 -0.05 -0.97 0.00 0.00 0.00 179.25 179.19 3fhq h ASN 48 N 0.00 0.00 -3.71 0.00 -0.73 -1.93 -3.46 115.58 105.74 3fhq h ASN 48 Ca -0.00 -0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.65 3fhq h ASN 48 Cb 0.62 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.23 3fhq h ASN 48 CO 0.04 0.00 0.53 0.00 -0.37 0.00 0.00 177.43 177.63 3fhq s ALA 49 N -3.19 3.44 0.37 1.57 0.00 -1.00 -4.77 121.76 118.17 3fhq s ALA 49 Ca 0.07 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.09 3fhq s ALA 49 Cb 0.07 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3fhq s ALA 49 CO 0.66 -0.32 0.20 0.16 0.00 0.00 0.00 175.76 176.47 3fhq s ASP 50 N -0.48 4.75 0.00 0.00 -4.77 -0.88 -4.86 116.67 110.43 3fhq s ASP 50 Ca 0.48 -0.80 0.21 0.00 -3.30 0.00 0.00 52.55 49.14 3fhq s ASP 50 Cb -0.34 -0.68 0.12 0.00 -1.09 0.00 0.00 42.92 40.94 3fhq s ASP 50 CO 0.42 -0.41 1.13 2.29 0.70 0.00 0.00 175.17 179.30 3fhq n LYS 51 N -1.25 1.81 -0.09 2.11 2.85 -1.26 -4.27 118.16 118.05 3fhq n LYS 51 Ca -0.01 -1.56 -0.14 0.00 -1.05 0.00 0.00 58.31 55.55 3fhq n LYS 51 Cb 0.62 -1.40 -0.07 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 0.88 1.83 -4.76 -5.58 8.00 -1.26 -4.93 116.55 110.73 3fhq n ASP 52 Ca 0.11 0.53 -0.41 0.00 0.71 0.00 0.00 54.79 55.73 3fhq n ASP 52 Cb 0.50 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.54 3.60 0.48 2.24 0.00 -1.26 -4.93 121.76 119.35 3fhq s ALA 53 Ca -0.22 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.21 3fhq s ALA 53 Cb 0.04 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.63 3fhq s ALA 53 CO 0.41 -0.82 0.56 -1.01 0.00 0.00 0.00 175.76 174.91 3fhq s HIS 54 N -0.57 2.19 -0.04 0.00 3.76 -1.26 -4.95 115.29 114.43 3fhq s HIS 54 Ca 0.55 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 3fhq s HIS 54 Cb -0.43 -2.21 0.03 0.00 1.11 0.00 0.00 32.58 31.08 3fhq s HIS 54 CO 0.51 -0.58 0.03 -1.17 -0.85 0.00 0.00 174.74 172.69 3fhq s LEU 55 N -4.38 0.65 -0.08 0.89 0.20 -1.26 -0.16 118.68 114.54 3fhq s LEU 55 Ca 0.52 0.03 -0.00 0.00 0.69 0.00 0.00 54.13 55.37 3fhq s LEU 55 Cb -0.06 -0.17 -0.03 0.00 -0.43 0.00 0.00 46.19 45.51 3fhq s LEU 55 CO 0.32 -0.18 -0.04 0.68 -0.29 0.00 0.00 176.35 176.84 3fhq s VAL 56 N 1.62 3.99 -0.18 1.68 -7.23 -0.46 -1.10 120.40 118.71 3fhq s VAL 56 Ca -0.02 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.74 3fhq s VAL 56 Cb -0.13 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 3fhq s VAL 56 CO -0.03 0.60 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.80 3fhq s SER 57 N -0.84 4.86 -0.53 4.85 0.15 -0.32 -0.88 113.70 120.99 3fhq s SER 57 Ca 0.13 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 3fhq s SER 57 Cb -0.11 -1.82 0.11 0.00 -1.71 0.00 0.00 66.02 62.49 3fhq s SER 57 CO 0.02 0.11 0.52 -0.76 1.20 0.00 0.00 173.24 174.32 3fhq s LEU 58 N 0.73 5.83 -0.08 3.45 1.02 -0.16 0.79 118.68 130.25 3fhq s LEU 58 Ca -0.00 -1.55 0.03 0.00 0.02 0.00 0.00 54.13 52.63 3fhq s LEU 58 Cb -0.14 -2.24 0.01 0.00 0.02 0.00 0.00 46.19 43.84 3fhq s LEU 58 CO 0.02 -0.85 -0.18 -0.44 0.02 0.00 0.00 176.35 174.93 3fhq s SER 59 N 3.28 2.36 -1.08 2.29 0.01 -0.51 -0.21 113.70 119.85 3fhq s SER 59 Ca 0.06 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.71 3fhq s SER 59 Cb -0.27 -1.07 -0.07 0.00 0.21 0.00 0.00 66.02 64.82 3fhq s SER 59 CO 0.05 0.09 2.00 0.00 0.41 0.00 0.00 173.24 175.80 3fhq n ALA 60 N 3.67 3.85 0.29 1.44 0.00 -1.26 -0.54 120.51 127.96 3fhq n ALA 60 Ca -0.21 -3.50 0.18 0.00 0.00 0.00 0.00 53.44 49.90 3fhq n ALA 60 Cb 0.52 -3.59 0.90 0.00 0.00 0.00 0.00 19.45 17.29 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 12.98 0.00 -8.08 0.00 3.38 -1.92 -3.34 115.31 118.32 3fhq h LEU 61 Ca 0.45 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.88 3fhq h LEU 61 Cb 0.71 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.13 3fhq h LEU 61 CO 1.81 0.00 -0.83 0.20 0.09 0.00 0.00 178.44 179.72 3fhq s ASN 62 N -4.87 1.97 0.31 -0.43 0.01 -1.26 -4.42 114.94 106.25 3fhq s ASN 62 Ca -0.04 -0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 51.77 3fhq s ASN 62 Cb 0.11 -0.80 0.50 0.00 0.41 0.00 0.00 41.25 41.47 3fhq s ASN 62 CO 0.37 0.08 1.98 -0.09 -1.51 0.00 0.00 177.10 177.93 3fhq h ARG 63 N 6.72 1.02 -6.45 -0.60 2.43 -1.95 -3.43 114.38 112.11 3fhq h ARG 63 Ca -0.30 -0.06 -0.63 0.00 -0.81 0.00 0.00 59.98 58.18 3fhq h ARG 63 Cb 1.19 -0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 30.37 3fhq h ARG 63 CO 0.48 0.67 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.88 3fhq s HIS 64 N -5.87 2.66 -0.00 2.20 3.76 -1.26 -5.05 115.29 111.73 3fhq s HIS 64 Ca -0.11 -0.21 -0.20 0.00 -0.15 0.00 0.00 55.06 54.38 3fhq s HIS 64 Cb 0.18 -1.31 -0.23 0.00 1.11 0.00 0.00 32.58 32.32 3fhq s HIS 64 CO 0.78 0.50 1.09 1.15 -0.85 0.00 0.00 174.74 177.41 3fhq h THR 65 N 2.80 1.45 -2.09 1.30 2.02 -1.94 -3.45 112.91 113.00 3fhq h THR 65 Ca -0.47 -2.06 -0.45 0.00 0.77 0.00 0.00 66.41 64.20 3fhq h THR 65 Cb 1.20 2.63 0.01 0.00 -1.74 0.00 0.00 68.15 70.24 3fhq h THR 65 CO 0.54 0.60 -0.31 -0.94 0.37 0.00 0.00 175.52 175.78 3fhq s SER 66 N -6.69 6.02 -0.21 4.18 1.04 -1.26 -4.53 113.70 112.25 3fhq s SER 66 Ca -0.14 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3fhq s SER 66 Cb 0.03 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.71 3fhq s SER 66 CO 0.81 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 175.23 3fhq n GLY 67 N -1.69 0.54 3.56 7.32 0.00 -1.26 -4.99 105.19 108.67 3fhq n GLY 67 Ca -0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.97 4.71 0.36 1.61 1.01 -1.26 -5.01 120.40 119.85 3fhq s VAL 68 Ca 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 3fhq s VAL 68 Cb 0.00 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 3fhq s VAL 68 CO 0.00 -0.58 1.34 -2.65 0.00 0.00 0.00 175.10 173.21 3fhq n PRO 69 N 6.53 2.23 -0.32 2.72 -0.02 -1.26 0.06 135.00 144.94 3fhq n PRO 69 Ca 0.02 0.78 0.10 0.00 -2.02 0.00 0.00 63.50 62.38 3fhq n PRO 69 Cb 0.48 -2.42 0.31 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.57 0.79 -0.42 2.55 0.02 -1.48 -3.35 113.55 114.24 3fhq h SER 70 Ca -0.48 0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.23 3fhq h SER 70 Cb 1.27 -0.11 -0.38 0.00 0.14 0.00 0.00 62.40 63.32 3fhq h SER 70 CO 0.62 0.40 -1.01 0.00 -1.14 0.00 0.00 176.83 175.71 3fhq n GLN 71 N -4.61 1.91 0.00 3.45 6.02 -1.26 -4.07 117.38 118.82 3fhq n GLN 71 Ca 0.19 -3.44 0.00 0.00 -0.01 0.00 0.00 57.00 53.74 3fhq n GLN 71 Cb 0.43 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.50 0.88 3.47 1.08 0.00 -1.26 -4.85 105.19 104.01 3fhq n GLY 72 Ca 0.16 -2.06 -0.10 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 -1.52 -1.70 -1.19 4.61 0.00 -0.94 -4.73 121.76 116.30 3fhq s ALA 73 Ca 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 3fhq s ALA 73 Cb 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 23.12 23.67 3fhq s ALA 73 CO 0.00 -0.74 2.88 -0.35 0.00 0.00 0.00 175.76 177.56 3fhq n PRO 74 N -0.32 3.05 -3.82 0.00 -0.05 -1.26 -0.28 135.00 132.32 3fhq n PRO 74 Ca -0.13 -1.81 -0.22 0.00 -0.05 0.00 0.00 63.50 61.28 3fhq n PRO 74 Cb 0.63 -2.57 -0.17 0.00 -0.05 0.00 0.00 33.50 31.34 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 2.21 0.39 -0.03 0.52 1.01 -1.26 -4.64 120.40 118.61 3fhq s VAL 75 Ca 0.63 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 3fhq s VAL 75 Cb 0.19 -0.53 -0.19 0.00 0.00 0.00 0.00 36.38 35.85 3fhq s VAL 75 CO -0.04 0.25 1.14 0.15 0.00 0.00 0.00 175.10 176.60 3fhq h PHE 76 N 8.15 -0.11 -1.01 5.22 3.57 -1.78 -2.88 116.94 128.10 3fhq h PHE 76 Ca -0.23 -0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.71 3fhq h PHE 76 Cb 1.13 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.81 3fhq h PHE 76 CO 0.48 0.37 1.45 -0.47 -2.23 0.00 0.00 178.31 177.92 3fhq s TYR 77 N -4.00 2.44 0.09 0.41 5.04 -1.26 -4.61 117.35 115.46 3fhq s TYR 77 Ca -0.15 -0.68 0.03 0.00 -2.44 0.00 0.00 57.07 53.82 3fhq s TYR 77 Cb 0.01 -4.60 -0.04 0.00 0.35 0.00 0.00 41.96 37.69 3fhq s TYR 77 CO 0.61 -1.88 -0.08 -2.00 -1.34 0.00 0.00 175.55 170.85 3fhq s GLU 78 N 5.23 0.80 -0.86 4.97 2.56 -1.26 -5.08 118.70 125.06 3fhq s GLU 78 Ca 0.51 -1.19 -0.25 0.00 0.00 0.00 0.00 54.97 54.04 3fhq s GLU 78 Cb -0.01 -0.34 -0.02 0.00 2.00 0.00 0.00 34.13 35.76 3fhq s GLU 78 CO -0.06 0.03 1.78 1.21 -0.56 0.00 0.00 175.26 177.66 3fhq s ASN 79 N -2.62 5.51 -0.85 -1.70 3.84 -1.26 -4.84 114.94 113.02 3fhq s ASN 79 Ca 0.06 -0.62 -0.02 0.00 0.21 0.00 0.00 52.86 52.50 3fhq s ASN 79 Cb 0.00 -2.56 0.35 0.00 -0.55 0.00 0.00 41.25 38.49 3fhq s ASN 79 CO -0.02 -2.36 1.97 1.07 -2.79 0.00 0.00 177.10 174.97 3fhq n THR 80 N 7.44 3.79 -1.49 -5.21 5.66 -1.26 -4.94 114.28 118.27 3fhq n THR 80 Ca 0.32 -4.49 -0.56 0.00 -3.05 0.00 0.00 64.05 56.28 3fhq n THR 80 Cb 0.49 -1.27 -0.07 0.00 -1.55 0.00 0.00 70.33 67.93 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 -0.49 0.50 -0.99 1.09 7.35 -1.26 -4.88 117.46 118.78 3fhq n PHE 81 Ca 0.53 1.00 0.03 0.00 -0.76 0.00 0.00 57.45 58.24 3fhq n PHE 81 Cb 0.25 -2.09 0.04 0.00 0.35 0.00 0.00 39.48 38.03 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 1.68 1.13 -1.97 -2.13 3.41 -1.26 -4.77 113.62 109.72 3fhq n SER 82 Ca 0.19 -2.04 -0.24 0.00 -0.26 0.00 0.00 58.87 56.53 3fhq n SER 82 Cb 0.13 -0.16 0.11 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.50 2.59 -0.08 7.33 4.02 -1.26 -4.60 117.16 124.65 3fhq n TYR 83 Ca 0.04 -2.33 0.21 0.00 -0.01 0.00 0.00 57.90 55.81 3fhq n TYR 83 Cb 0.52 -0.88 0.64 0.00 -0.02 0.00 0.00 39.34 39.60 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 1.66 0.14 0.00 -0.72 4.06 -1.93 -2.16 115.95 117.01 3fhq h TRP 84 Ca 0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 3fhq h TRP 84 Cb 1.49 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.61 3fhq h TRP 84 CO 1.23 0.05 0.00 1.12 -3.56 0.00 0.00 178.44 177.28 3fhq h HIS 85 N 0.12 0.00 -0.51 0.49 2.07 -1.81 -0.37 115.15 115.13 3fhq h HIS 85 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 3fhq h HIS 85 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 3fhq h HIS 85 CO -0.00 0.00 0.00 0.66 -3.07 0.00 0.00 177.93 175.52 3fhq n TYR 86 N -3.05 0.67 -4.31 6.12 4.01 -0.81 -0.87 117.16 118.92 3fhq n TYR 86 Ca -0.02 -0.40 -0.34 0.00 -0.16 0.00 0.00 57.90 56.98 3fhq n TYR 86 Cb 0.14 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.14 3.85 -0.12 -0.72 2.01 -0.15 -4.73 115.64 114.63 3fhq s THR 87 Ca 0.38 -0.37 0.18 0.00 0.31 0.00 0.00 61.69 62.20 3fhq s THR 87 Cb 0.21 -2.70 -0.21 0.00 0.01 0.00 0.00 72.50 69.81 3fhq s THR 87 CO 0.28 0.48 0.54 0.47 -0.69 0.00 0.00 174.62 175.69 3fhq n ASP 88 N 3.77 0.46 -3.72 3.53 8.00 -0.26 -4.86 116.55 123.46 3fhq n ASP 88 Ca -0.17 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 3fhq n ASP 88 Cb 0.52 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 42.23 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 -5.48 0.26 -0.16 0.64 2.96 -1.02 -4.12 118.68 111.77 3fhq s LEU 89 Ca -0.06 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 3fhq s LEU 89 Cb 0.09 1.12 -0.01 0.00 0.50 0.00 0.00 46.19 47.88 3fhq s LEU 89 CO 0.84 -0.17 -0.10 -0.32 -1.32 0.00 0.00 176.35 175.28 3fhq s MET 90 N 1.04 3.40 -0.26 1.98 -2.45 -0.50 -1.18 119.30 121.34 3fhq s MET 90 Ca -0.07 -0.66 -0.08 0.00 -1.25 0.00 0.00 55.69 53.64 3fhq s MET 90 Cb -0.07 -2.76 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 3fhq s MET 90 CO -0.08 0.10 0.08 0.08 1.05 0.00 0.00 175.02 176.24 3fhq s VAL 91 N 0.67 4.33 -0.52 10.11 1.01 0.24 -0.10 120.40 136.14 3fhq s VAL 91 Ca -0.05 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 3fhq s VAL 91 Cb -0.15 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3fhq s VAL 91 CO 0.02 0.30 1.86 -0.47 0.00 0.00 0.00 175.10 176.81 3fhq s TYR 92 N 1.61 1.70 -0.29 5.22 6.14 -0.04 -1.42 117.35 130.27 3fhq s TYR 92 Ca 0.06 0.78 -0.29 0.00 0.64 0.00 0.00 57.07 58.26 3fhq s TYR 92 Cb -0.15 -4.08 0.01 0.00 0.42 0.00 0.00 41.96 38.15 3fhq s TYR 92 CO 0.04 -2.48 1.20 -0.46 0.64 0.00 0.00 175.55 174.49 3fhq s TRP 93 N 8.52 2.90 0.31 4.97 -0.11 0.30 -4.07 118.94 131.76 3fhq s TRP 93 Ca 0.72 1.03 -0.18 0.00 1.22 0.00 0.00 56.10 58.89 3fhq s TRP 93 Cb -0.16 -3.76 0.07 0.00 -1.50 0.00 0.00 33.47 28.12 3fhq s TRP 93 CO 0.25 -1.31 0.91 0.00 -4.62 0.00 0.00 176.95 172.17 3fhq s ALA 94 N 3.95 -1.09 0.00 5.86 0.00 -1.26 -4.31 121.76 124.91 3fhq s ALA 94 Ca 0.51 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3fhq s ALA 94 Cb -0.15 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3fhq s ALA 94 CO 0.19 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3fhq n GLY 95 N -0.63 2.74 3.41 0.00 0.00 -1.26 -4.67 105.19 104.79 3fhq n GLY 95 Ca -0.06 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.49 0.39 1.61 1.04 0.06 -4.95 113.70 111.36 3fhq s SER 96 Ca 0.00 0.25 0.11 0.00 0.48 0.00 0.00 55.95 56.79 3fhq s SER 96 Cb 0.00 0.51 0.90 0.00 0.10 0.00 0.00 66.02 67.53 3fhq s SER 96 CO 0.00 -0.72 1.91 0.00 0.98 0.00 0.00 173.24 175.41 3fhq h ALA 97 N 2.76 1.92 0.00 5.32 0.00 -1.84 -0.21 119.26 127.21 3fhq h ALA 97 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3fhq h ALA 97 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3fhq h ALA 97 CO 0.40 -0.12 -0.46 0.78 0.00 0.00 0.00 179.25 179.85 3fhq h GLY 98 N 0.59 0.00 0.00 0.00 0.00 -1.92 -3.40 103.07 98.34 3fhq h GLY 98 Ca 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 3fhq h GLY 98 CO -0.15 0.00 -1.42 1.18 0.00 0.00 0.00 176.54 176.16 3fhq n GLU 99 N -3.17 1.75 0.00 4.80 1.02 -0.95 -5.12 120.64 118.98 3fhq n GLU 99 Ca 0.02 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3fhq n GLU 99 Cb 0.70 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 2.36 4.64 0.09 0.62 0.00 -0.13 -4.68 105.19 108.10 3fhq n GLY 100 Ca -0.07 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.51 0.00 -3.90 -0.61 -5.35 -0.40 -0.76 119.36 106.83 3fhq n ILE 101 Ca 0.00 -0.31 -0.35 0.00 -0.27 0.00 0.00 62.75 61.82 3fhq n ILE 101 Cb 0.00 1.05 -0.14 0.00 -1.74 0.00 0.00 39.64 38.81 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 -1.75 3.12 -0.09 7.28 1.01 -0.17 0.10 121.20 130.70 3fhq s ILE 102 Ca 0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 3fhq s ILE 102 Cb 0.08 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.93 3fhq s ILE 102 CO 0.36 0.07 0.06 0.54 0.00 0.00 0.00 174.94 175.98 3fhq s VAL 103 N 1.33 -0.04 0.70 2.92 0.11 0.88 -1.24 120.40 125.06 3fhq s VAL 103 Ca -0.01 0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 3fhq s VAL 103 Cb -0.18 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3fhq s VAL 103 CO -0.02 0.02 1.06 -2.16 -3.33 0.00 0.00 175.10 170.67 3fhq s PRO 104 N 2.13 2.88 0.37 1.54 0.04 -1.26 -1.21 135.00 139.50 3fhq s PRO 104 Ca 0.04 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 3fhq s PRO 104 Cb -0.14 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3fhq s PRO 104 CO -0.05 -1.14 1.18 -2.14 0.04 0.00 0.00 177.00 174.88 3fhq s PRO 105 N -4.93 4.20 0.68 0.56 0.02 -1.26 -4.87 135.00 129.41 3fhq s PRO 105 Ca 0.59 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 3fhq s PRO 105 Cb -0.15 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.57 3fhq s PRO 105 CO 0.53 -0.21 1.21 -1.54 -0.33 0.00 0.00 177.00 176.66 3fhq s SER 106 N -0.99 4.54 0.46 2.53 1.04 -1.26 -4.77 113.70 115.26 3fhq s SER 106 Ca 0.54 2.36 0.12 0.00 0.48 0.00 0.00 55.95 59.44 3fhq s SER 106 Cb -0.32 -2.59 1.06 0.00 0.10 0.00 0.00 66.02 64.27 3fhq s SER 106 CO 0.41 -2.03 2.10 0.00 0.98 0.00 0.00 173.24 174.71 3fhq h ALA 107 N 0.09 1.86 -0.70 5.32 0.00 -1.74 -1.31 119.26 122.78 3fhq h ALA 107 Ca -0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3fhq h ALA 107 Cb 1.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3fhq h ALA 107 CO 0.52 0.13 0.17 0.38 0.00 0.00 0.00 179.25 180.45 3fhq h ASP 108 N 0.28 1.06 0.30 0.00 2.03 -1.92 -1.76 116.42 116.41 3fhq h ASP 108 Ca 0.08 -0.22 -0.33 0.00 -0.73 0.00 0.00 57.03 55.82 3fhq h ASP 108 Cb -0.03 -0.28 0.04 0.00 -0.83 0.00 0.00 39.33 38.23 3fhq h ASP 108 CO -0.02 1.01 -1.46 0.58 -1.03 0.00 0.00 179.24 178.32 3fhq h VAL 109 N 1.06 1.31 -0.67 4.15 2.07 -1.68 -2.11 116.25 120.38 3fhq h VAL 109 Ca 0.22 -2.74 0.12 0.00 0.82 0.00 0.00 66.70 65.11 3fhq h VAL 109 Cb 0.37 3.04 -0.08 0.00 -1.52 0.00 0.00 31.29 33.09 3fhq h VAL 109 CO 0.00 0.82 0.24 0.40 0.02 0.00 0.00 177.57 179.05 3fhq h ILE 110 N 0.14 0.70 -0.08 4.57 2.04 -1.25 -0.77 117.51 122.87 3fhq h ILE 110 Ca -0.25 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3fhq h ILE 110 Cb 2.16 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3fhq h ILE 110 CO 0.27 0.07 0.04 0.44 0.00 0.00 0.00 178.15 178.97 3fhq h ASP 111 N 0.40 0.10 0.11 1.72 3.32 -1.21 0.10 116.42 120.96 3fhq h ASP 111 Ca 0.35 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3fhq h ASP 111 Cb 0.49 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3fhq h ASP 111 CO -0.36 0.16 -0.09 0.00 -1.72 0.00 0.00 179.24 177.22 3fhq h ALA 112 N 0.94 -0.19 -0.26 3.45 0.00 -1.13 -1.08 119.26 120.99 3fhq h ALA 112 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3fhq h ALA 112 Cb 0.08 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3fhq h ALA 112 CO -0.00 -0.62 -0.16 1.03 0.00 0.00 0.00 179.25 179.49 3fhq h SER 113 N -0.22 -0.54 -0.72 0.00 0.87 -1.08 -2.97 113.55 108.89 3fhq h SER 113 Ca -0.00 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3fhq h SER 113 Cb 0.20 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3fhq h SER 113 CO -0.01 -0.20 0.32 0.45 -0.53 0.00 0.00 176.83 176.86 3fhq h HIS 114 N -0.14 1.06 -0.65 2.24 -0.00 -0.38 -1.29 115.15 115.98 3fhq h HIS 114 Ca 0.14 -0.06 0.19 0.00 -0.00 0.00 0.00 60.37 60.64 3fhq h HIS 114 Cb 0.36 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 3fhq h HIS 114 CO -0.34 0.80 0.47 0.00 -0.00 0.00 0.00 177.93 178.85 3fhq h ARG 115 N 1.02 0.01 -0.63 2.45 3.08 -1.05 0.18 114.38 119.43 3fhq h ARG 115 Ca 0.24 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3fhq h ARG 115 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3fhq h ARG 115 CO -0.03 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.97 3fhq n ASN 116 N -4.34 4.98 -2.08 7.04 3.02 -0.57 -4.80 115.26 118.51 3fhq n ASN 116 Ca 0.13 -2.66 -0.20 0.00 -0.03 0.00 0.00 54.58 51.82 3fhq n ASN 116 Cb 0.72 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.81 0.14 3.61 7.41 0.00 0.53 -4.79 105.19 112.91 3fhq n GLY 117 Ca 0.25 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.93 5.04 0.22 1.61 1.01 -0.69 -4.85 120.40 119.82 3fhq s VAL 118 Ca 0.00 0.07 -0.30 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 0.36 1.23 -2.84 0.00 0.00 0.00 175.10 173.85 3fhq s PRO 119 N 1.05 4.47 -0.09 2.72 0.02 -1.26 -3.91 135.00 138.00 3fhq s PRO 119 Ca 0.06 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.07 3fhq s PRO 119 Cb -0.14 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 3fhq s PRO 119 CO 0.04 -0.10 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.90 3fhq s ILE 120 N -0.32 2.36 0.03 2.83 2.07 -1.26 -1.41 121.20 125.50 3fhq s ILE 120 Ca 0.52 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 3fhq s ILE 120 Cb -0.34 -1.91 -0.04 0.00 0.13 0.00 0.00 42.46 40.30 3fhq s ILE 120 CO 0.40 0.56 0.06 -0.76 -1.91 0.00 0.00 174.94 173.28 3fhq s LEU 121 N 0.09 3.75 0.76 8.50 1.43 0.85 -1.33 118.68 132.74 3fhq s LEU 121 Ca -0.10 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3fhq s LEU 121 Cb -0.16 -2.29 0.13 0.00 0.03 0.00 0.00 46.19 43.90 3fhq s LEU 121 CO 0.06 0.23 1.05 -0.83 0.23 0.00 0.00 176.35 177.09 3fhq s GLY 122 N -1.99 1.76 -0.06 -3.19 0.00 -0.61 -0.86 107.32 102.37 3fhq s GLY 122 Ca 0.25 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.55 3fhq s GLY 122 CO 0.16 -0.91 -0.25 0.21 0.00 0.00 0.00 173.10 172.32 3fhq s ASN 123 N -4.72 3.02 -0.36 1.64 2.47 -0.35 -0.15 114.94 116.49 3fhq s ASN 123 Ca 0.66 -0.51 -0.02 0.00 0.42 0.00 0.00 52.86 53.41 3fhq s ASN 123 Cb -0.06 -0.89 0.08 0.00 -1.45 0.00 0.00 41.25 38.93 3fhq s ASN 123 CO 0.46 0.23 0.12 -0.69 -3.72 0.00 0.00 177.10 173.49 3fhq s VAL 124 N -0.10 3.14 -0.52 -5.21 1.01 -0.12 -0.08 120.40 118.52 3fhq s VAL 124 Ca -0.05 -1.78 -0.07 0.00 0.00 0.00 0.00 61.98 60.08 3fhq s VAL 124 Cb -0.14 -3.02 0.14 0.00 0.00 0.00 0.00 36.38 33.35 3fhq s VAL 124 CO 0.04 -0.45 0.37 0.12 0.00 0.00 0.00 175.10 175.19 3fhq s PHE 125 N 1.18 3.49 -0.67 5.22 5.36 0.28 -1.16 117.98 131.68 3fhq s PHE 125 Ca 0.03 -2.20 -0.24 0.00 -0.96 0.00 0.00 56.93 53.56 3fhq s PHE 125 Cb -0.21 -3.40 0.06 0.00 -0.34 0.00 0.00 43.02 39.13 3fhq s PHE 125 CO -0.03 -0.95 1.03 -0.06 -1.46 0.00 0.00 175.22 173.75 3fhq s PHE 126 N 0.88 2.59 0.49 10.12 0.08 0.69 -4.70 117.98 128.13 3fhq s PHE 126 Ca 0.10 -0.42 -0.20 0.00 0.12 0.00 0.00 56.93 56.54 3fhq s PHE 126 Cb -0.23 -4.36 -0.08 0.00 -0.57 0.00 0.00 43.02 37.78 3fhq s PHE 126 CO -0.03 -1.73 1.02 -2.14 -0.10 0.00 0.00 175.22 172.24 3fhq s PRO 127 N 4.43 3.85 0.37 0.24 0.02 -1.26 -1.11 135.00 141.54 3fhq s PRO 127 Ca 0.25 1.26 -0.26 0.00 0.02 0.00 0.00 61.00 62.27 3fhq s PRO 127 Cb -0.15 -2.11 -0.12 0.00 0.02 0.00 0.00 34.50 32.14 3fhq s PRO 127 CO 0.12 -0.37 1.01 -2.30 -0.33 0.00 0.00 177.00 175.12 3fhq n PRO 128 N -1.06 1.38 -0.20 5.54 -0.02 -1.23 -3.65 135.00 135.75 3fhq n PRO 128 Ca 0.08 0.49 0.24 0.00 -2.02 0.00 0.00 63.50 62.30 3fhq n PRO 128 Cb 0.53 -1.97 0.63 0.00 -0.02 0.00 0.00 33.50 32.67 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 1.75 0.61 0.00 3.45 1.35 -1.78 0.24 112.91 118.52 3fhq h THR 129 Ca -0.43 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3fhq h THR 129 Cb 1.34 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3fhq h THR 129 CO 0.58 0.03 0.00 0.58 -0.25 0.00 0.00 175.52 176.47 3fhq h VAL 130 N 0.18 0.00 -0.35 6.82 2.07 -1.90 -1.24 116.25 121.83 3fhq h VAL 130 Ca 0.44 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.68 3fhq h VAL 130 Cb 1.45 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 32.11 3fhq h VAL 130 CO -0.09 0.00 -0.01 -1.22 0.02 0.00 0.00 177.57 176.28 3fhq n TYR 131 N -2.70 1.13 -0.82 1.57 4.01 0.77 -4.92 117.16 116.19 3fhq n TYR 131 Ca -0.01 -1.34 0.00 0.00 -0.16 0.00 0.00 57.90 56.39 3fhq n TYR 131 Cb 0.14 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 -0.91 0.58 3.60 2.72 0.00 -0.47 -4.28 105.19 106.44 3fhq n GLY 132 Ca 0.30 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.82 -0.33 2.80 -0.02 0.00 -0.80 -4.78 105.19 99.25 3fhq n GLY 133 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.15 0.71 0.42 1.61 -1.52 -1.26 -4.48 119.66 112.98 3fhq s GLN 134 Ca 0.66 0.05 0.19 0.00 -1.95 0.00 0.00 55.36 54.30 3fhq s GLN 134 Cb -0.52 -1.00 1.11 0.00 -0.22 0.00 0.00 33.01 32.38 3fhq s GLN 134 CO 0.55 -0.27 1.82 -0.07 -0.25 0.00 0.00 175.29 177.07 3fhq h LEU 135 N 8.13 0.41 -0.52 2.90 3.38 -1.94 -1.88 115.31 125.78 3fhq h LEU 135 Ca -0.23 0.06 0.11 0.00 0.09 0.00 0.00 57.88 57.90 3fhq h LEU 135 Cb 1.13 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 3fhq h LEU 135 CO 0.31 0.13 -0.05 -0.08 0.09 0.00 0.00 178.44 178.83 3fhq h GLU 136 N 0.39 0.06 -0.59 1.13 4.81 -1.98 0.55 114.58 118.95 3fhq h GLU 136 Ca 0.52 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.78 3fhq h GLU 136 Cb 1.34 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 3fhq h GLU 136 CO -0.21 0.04 0.35 -1.49 -0.73 0.00 0.00 179.01 176.97 3fhq h TRP 137 N 0.06 0.66 -0.28 0.92 6.55 -1.77 0.25 115.95 122.35 3fhq h TRP 137 Ca 0.26 0.02 0.01 0.00 0.95 0.00 0.00 58.89 60.14 3fhq h TRP 137 Cb 0.41 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 3fhq h TRP 137 CO -0.37 0.37 0.15 1.25 -1.05 0.00 0.00 178.44 178.79 3fhq h LEU 138 N 0.69 0.24 -0.81 -4.49 5.85 -1.22 -1.49 115.31 114.08 3fhq h LEU 138 Ca 0.24 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3fhq h LEU 138 Cb 0.04 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3fhq h LEU 138 CO -0.11 0.18 0.46 -0.33 -0.34 0.00 0.00 178.44 178.30 3fhq h GLU 139 N 0.32 1.12 -0.28 1.25 4.39 0.15 -1.70 114.58 119.82 3fhq h GLU 139 Ca 0.11 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3fhq h GLU 139 Cb 0.01 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 3fhq h GLU 139 CO -0.06 0.81 0.07 1.96 -1.16 0.00 0.00 179.01 180.63 3fhq h GLN 140 N 1.12 0.17 -0.17 2.33 4.20 -0.20 -1.89 115.11 120.67 3fhq h GLN 140 Ca 0.29 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3fhq h GLN 140 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3fhq h GLN 140 CO -0.05 0.11 0.04 0.52 -0.67 0.00 0.00 178.83 178.78 3fhq h MET 141 N 0.17 0.23 -0.24 1.46 2.86 -0.86 -2.82 114.93 115.73 3fhq h MET 141 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3fhq h MET 141 Cb 0.12 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3fhq h MET 141 CO -0.16 0.22 0.00 1.28 1.06 0.00 0.00 176.91 179.31 3fhq n LEU 142 N -4.43 1.91 -4.74 1.22 4.77 -0.68 -4.56 117.00 110.49 3fhq n LEU 142 Ca -0.00 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.71 3fhq n LEU 142 Cb 0.14 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3fhq n LEU 142 CO 0.36 0.42 1.05 -0.62 -1.33 0.00 0.00 177.39 177.27 3fhq n GLU 143 N 0.50 2.43 -4.47 3.23 1.02 -0.96 -4.99 120.64 117.40 3fhq n GLU 143 Ca 0.16 0.86 -0.22 0.00 -0.02 0.00 0.00 57.16 57.93 3fhq n GLU 143 Cb 0.35 -2.53 -0.16 0.00 -0.02 0.00 0.00 31.44 29.08 3fhq n GLU 143 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3fhq s GLN 144 N -1.74 1.19 0.78 3.49 0.74 -1.26 -4.06 119.66 118.80 3fhq s GLN 144 Ca 0.56 -0.35 -0.11 0.00 0.05 0.00 0.00 55.36 55.51 3fhq s GLN 144 Cb -0.52 -1.07 0.07 0.00 1.10 0.00 0.00 33.01 32.58 3fhq s GLN 144 CO 0.61 0.10 1.14 -1.21 -0.55 0.00 0.00 175.29 175.38 3fhq s GLU 145 N 0.30 2.12 0.29 1.67 0.41 -0.51 -4.90 118.70 118.08 3fhq s GLU 145 Ca -0.06 0.10 -0.00 0.00 -0.41 0.00 0.00 54.97 54.60 3fhq s GLU 145 Cb -0.11 -1.99 0.50 0.00 -1.78 0.00 0.00 34.13 30.75 3fhq s GLU 145 CO 0.01 -1.47 1.89 0.93 -0.49 0.00 0.00 175.26 176.14 3fhq h GLU 146 N -0.93 1.04 -1.59 1.61 5.08 -2.01 0.93 114.58 118.71 3fhq h GLU 146 Ca -0.46 -0.06 0.51 0.00 -1.00 0.00 0.00 59.36 58.35 3fhq h GLU 146 Cb 1.32 -0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 3fhq h GLU 146 CO 0.65 0.69 1.07 -3.47 -1.00 0.00 0.00 179.01 176.95 3fhq n ASP 147 N -4.51 0.13 0.00 1.42 -0.08 -1.26 -4.81 116.55 107.44 3fhq n ASP 147 Ca 0.15 1.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.67 3fhq n ASP 147 Cb 0.22 -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 -1.66 3.30 3.76 0.27 0.00 0.32 -5.06 105.19 106.11 3fhq n GLY 148 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.54 4.60 -0.34 1.61 1.04 -1.26 -4.67 113.70 114.14 3fhq s SER 149 Ca 0.00 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 3fhq s SER 149 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.62 3fhq s SER 149 CO 0.00 -1.97 0.09 -0.36 0.98 0.00 0.00 173.24 171.98 3fhq s PHE 150 N -2.51 3.29 0.32 5.02 0.08 -1.26 -1.42 117.98 121.50 3fhq s PHE 150 Ca 0.66 -1.64 0.04 0.00 0.12 0.00 0.00 56.93 56.10 3fhq s PHE 150 Cb -0.21 -2.35 0.63 0.00 -0.57 0.00 0.00 43.02 40.53 3fhq s PHE 150 CO 0.48 -0.78 1.88 -1.35 -0.10 0.00 0.00 175.22 175.35 3fhq h PRO 151 N 8.15 0.88 0.00 0.24 0.11 -1.90 -1.26 132.00 138.22 3fhq h PRO 151 Ca -0.22 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3fhq h PRO 151 Cb 1.07 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3fhq h PRO 151 CO 0.60 0.58 -0.32 -0.07 -0.21 0.00 0.00 178.00 178.58 3fhq h LEU 152 N 0.90 0.00 -0.69 2.35 4.07 -1.85 -1.63 115.31 118.47 3fhq h LEU 152 Ca 0.43 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.31 3fhq h LEU 152 Cb 0.44 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3fhq h LEU 152 CO -0.19 0.32 0.07 0.00 -1.08 0.00 0.00 178.44 177.56 3fhq h ALA 153 N 1.68 0.90 -0.52 1.53 0.00 -1.51 -1.79 119.26 119.55 3fhq h ALA 153 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3fhq h ALA 153 Cb 1.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3fhq h ALA 153 CO 0.04 0.67 0.19 -0.44 0.00 0.00 0.00 179.25 179.71 3fhq h ASP 154 N 1.01 0.69 0.08 0.00 3.32 -0.69 -1.66 116.42 119.17 3fhq h ASP 154 Ca 0.19 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3fhq h ASP 154 Cb 0.48 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3fhq h ASP 154 CO 0.02 0.63 -0.39 0.11 -1.72 0.00 0.00 179.24 177.89 3fhq h LYS 155 N 0.74 0.41 -0.18 3.56 1.79 -1.05 -0.39 116.57 121.45 3fhq h LYS 155 Ca 0.18 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3fhq h LYS 155 Cb 0.18 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3fhq h LYS 155 CO -0.01 0.74 0.08 -0.07 -1.08 0.00 0.00 179.45 179.11 3fhq h LEU 156 N 0.34 0.23 -0.55 2.94 3.38 -0.49 -0.58 115.31 120.58 3fhq h LEU 156 Ca 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3fhq h LEU 156 Cb 0.84 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3fhq h LEU 156 CO 0.07 0.29 0.26 -0.07 0.09 0.00 0.00 178.44 179.08 3fhq h LEU 157 N 0.15 0.72 -0.70 1.67 3.38 -1.21 -1.99 115.31 117.35 3fhq h LEU 157 Ca 0.06 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3fhq h LEU 157 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3fhq h LEU 157 CO -0.01 0.65 0.15 -0.08 0.09 0.00 0.00 178.44 179.24 3fhq h GLU 158 N 0.74 1.13 -0.30 1.13 4.81 -0.92 0.21 114.58 121.38 3fhq h GLU 158 Ca 0.19 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3fhq h GLU 158 Cb 0.13 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3fhq h GLU 158 CO -0.02 1.01 0.17 0.28 -0.73 0.00 0.00 179.01 179.71 3fhq h VAL 159 N 1.06 1.13 -0.33 0.32 2.07 -1.00 0.44 116.25 119.94 3fhq h VAL 159 Ca 0.22 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3fhq h VAL 159 Cb 0.40 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3fhq h VAL 159 CO 0.01 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.62 3fhq h ALA 160 N 1.04 1.20 -0.08 1.67 0.00 -1.03 0.63 119.26 122.69 3fhq h ALA 160 Ca 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3fhq h ALA 160 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fhq h ALA 160 CO -0.02 0.51 -0.11 0.22 0.00 0.00 0.00 179.25 179.86 3fhq h ASP 161 N 0.52 0.23 -0.10 0.00 3.58 -0.75 -1.47 116.42 118.42 3fhq h ASP 161 Ca 0.10 -0.52 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 3fhq h ASP 161 Cb 0.50 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 3fhq h ASP 161 CO 0.03 0.70 -0.04 0.22 -2.88 0.00 0.00 179.24 177.27 3fhq h TYR 162 N -0.24 0.23 0.00 0.28 3.20 -0.64 -3.16 116.97 116.64 3fhq h TYR 162 Ca 0.01 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 3fhq h TYR 162 Cb 0.65 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3fhq h TYR 162 CO 0.10 0.54 -0.15 1.88 -1.64 0.00 0.00 178.16 178.89 3fhq h TYR 163 N -0.14 0.00 -0.88 -3.82 0.05 -1.00 -3.44 116.97 107.74 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 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3fhq h TYR 163 CO 0.06 0.15 0.00 0.41 -1.05 0.00 0.00 178.16 177.73 3fhq n GLY 164 N 0.94 0.74 0.75 3.88 0.00 -0.63 -0.05 105.19 110.82 3fhq n GLY 164 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.09 0.16 -1.24 1.61 -1.74 -0.73 -4.79 117.46 109.64 3fhq n PHE 165 Ca 0.00 -0.54 0.08 0.00 -0.56 0.00 0.00 57.45 56.43 3fhq n PHE 165 Cb 0.30 -0.04 0.17 0.00 1.52 0.00 0.00 39.48 41.43 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 -1.42 2.26 0.00 5.98 8.00 -0.44 -4.64 116.55 126.29 3fhq n ASP 166 Ca -0.03 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 52.11 3fhq n ASP 166 Cb 0.13 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.27 0.68 3.05 0.44 0.00 -1.26 -0.07 105.19 106.76 3fhq n GLY 167 Ca 0.18 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.28 0.05 -0.19 1.61 0.52 -0.51 -1.57 118.94 117.57 3fhq s TRP 168 Ca 0.00 -0.12 -0.09 0.00 0.02 0.00 0.00 56.10 55.91 3fhq s TRP 168 Cb 0.00 -0.06 -0.05 0.00 -1.15 0.00 0.00 33.47 32.21 3fhq s TRP 168 CO 0.00 -0.21 0.10 0.12 0.02 0.00 0.00 176.95 176.98 3fhq s PHE 169 N -1.07 3.35 -0.25 -1.98 5.36 0.78 -1.04 117.98 123.14 3fhq s PHE 169 Ca -0.12 0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.05 3fhq s PHE 169 Cb -0.07 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 3fhq s PHE 169 CO 0.01 0.26 -0.01 0.42 -1.46 0.00 0.00 175.22 174.43 3fhq s ILE 170 N 0.30 3.42 -0.38 3.12 -1.09 0.13 -0.95 121.20 125.75 3fhq s ILE 170 Ca 0.06 -0.68 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 3fhq s ILE 170 Cb -0.12 -2.66 0.11 0.00 -1.58 0.00 0.00 42.46 38.21 3fhq s ILE 170 CO -0.01 0.27 0.11 0.21 -1.23 0.00 0.00 174.94 174.29 3fhq s ASN 171 N 1.45 4.58 -0.61 3.58 2.47 -0.31 -1.61 114.94 124.49 3fhq s ASN 171 Ca 0.03 -2.34 -0.11 0.00 0.42 0.00 0.00 52.86 50.86 3fhq s ASN 171 Cb -0.16 -1.57 0.16 0.00 -1.45 0.00 0.00 41.25 38.23 3fhq s ASN 171 CO -0.02 -0.34 0.52 -1.58 -3.72 0.00 0.00 177.10 171.95 3fhq s GLN 172 N 0.65 2.93 -0.00 0.43 -0.44 -1.26 -0.22 119.66 121.74 3fhq s GLN 172 Ca 0.13 -2.07 0.01 0.00 -2.50 0.00 0.00 55.36 50.92 3fhq s GLN 172 Cb -0.21 -4.13 0.01 0.00 -1.64 0.00 0.00 33.01 27.05 3fhq s GLN 172 CO -0.07 -1.25 0.98 0.39 0.50 0.00 0.00 175.29 175.84 3fhq n GLU 173 N 4.51 2.83 -2.59 1.67 1.02 -0.27 -3.58 120.64 124.23 3fhq n GLU 173 Ca -0.01 -1.49 -0.43 0.00 -0.02 0.00 0.00 57.16 55.22 3fhq n GLU 173 Cb 0.42 -0.99 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 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 -1.01 4.57 0.77 2.62 2.01 -1.17 -3.57 115.64 119.87 3fhq s THR 174 Ca 0.01 1.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.79 3fhq s THR 174 Cb 0.01 -4.22 0.05 0.00 0.01 0.00 0.00 72.50 68.35 3fhq s THR 174 CO 0.00 -0.16 1.08 -1.61 -0.69 0.00 0.00 174.62 173.25 3fhq s GLU 175 N 3.21 2.28 0.00 4.92 8.01 -1.26 -4.42 118.70 131.44 3fhq s GLU 175 Ca 0.47 0.83 0.00 0.00 0.01 0.00 0.00 54.97 56.28 3fhq s GLU 175 Cb -0.17 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 3fhq s GLU 175 CO 0.09 -1.53 0.00 0.41 0.01 0.00 0.00 175.26 174.24 3fhq n GLY 176 N -1.83 0.81 3.75 -1.39 0.00 -1.26 -4.69 105.19 100.57 3fhq n GLY 176 Ca 0.07 0.00 -0.40 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 3.40 0.67 4.61 0.00 -1.26 -5.07 121.76 122.10 3fhq s ALA 177 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 3fhq s ALA 177 Cb 0.00 -2.91 0.10 0.00 0.00 0.00 0.00 23.12 20.31 3fhq s ALA 177 CO 0.00 0.07 0.66 -0.40 0.00 0.00 0.00 175.76 176.10 3fhq n ASP 178 N 2.92 0.74 0.23 0.00 5.68 -1.26 -4.05 116.55 120.81 3fhq n ASP 178 Ca -0.04 -1.66 0.09 0.00 -0.50 0.00 0.00 54.79 52.68 3fhq n ASP 178 Cb 0.51 -0.44 0.56 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.49 0.11 4.81 -1.76 -2.52 114.58 114.73 3fhq h GLU 179 Ca -0.22 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.89 3fhq h GLU 179 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3fhq h GLU 179 CO 0.22 0.22 -0.15 0.78 -0.73 0.00 0.00 179.01 179.35 3fhq h GLY 180 N 1.16 1.04 0.99 1.92 0.00 -1.92 -1.46 103.07 104.80 3fhq h GLY 180 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 3fhq h GLY 180 CO 0.03 0.81 0.32 -0.84 0.00 0.00 0.00 176.54 176.85 3fhq h THR 181 N 0.82 1.19 -0.06 4.70 2.02 -1.85 -1.05 112.91 118.67 3fhq h THR 181 Ca 0.12 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.86 3fhq h THR 181 Cb 0.72 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3fhq h THR 181 CO 0.05 0.20 -0.12 0.00 0.37 0.00 0.00 175.52 176.03 3fhq h ALA 182 N 1.14 -0.08 -0.74 6.16 0.00 -1.24 0.89 119.26 125.39 3fhq h ALA 182 Ca 0.20 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3fhq h ALA 182 Cb 0.04 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3fhq h ALA 182 CO -0.03 -0.59 0.49 0.93 0.00 0.00 0.00 179.25 180.05 3fhq h GLU 183 N -0.17 0.95 -0.46 0.00 5.08 -1.09 -1.00 114.58 117.90 3fhq h GLU 183 Ca 0.06 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3fhq h GLU 183 Cb 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3fhq h GLU 183 CO -0.17 0.63 -0.06 0.00 -1.00 0.00 0.00 179.01 178.42 3fhq h ALA 184 N 1.54 0.62 -0.57 3.43 0.00 -0.51 -0.12 119.26 123.66 3fhq h ALA 184 Ca 0.28 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3fhq h ALA 184 Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3fhq h ALA 184 CO -0.07 0.47 0.28 1.98 0.00 0.00 0.00 179.25 181.92 3fhq h MET 185 N 0.69 0.52 -0.68 0.00 1.85 -0.18 0.36 114.93 117.48 3fhq h MET 185 Ca 0.12 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 3fhq h MET 185 Cb 0.58 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.46 3fhq h MET 185 CO 0.03 0.34 0.44 1.96 -0.40 0.00 0.00 176.91 179.29 3fhq h GLN 186 N 0.53 0.91 -0.66 0.39 4.20 -0.82 0.12 115.11 119.77 3fhq h GLN 186 Ca 0.26 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3fhq h GLN 186 Cb 0.20 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3fhq h GLN 186 CO -0.19 0.61 0.27 0.00 -0.67 0.00 0.00 178.83 178.84 3fhq h ALA 187 N 1.24 0.86 -0.06 3.87 0.00 -0.43 -1.18 119.26 123.56 3fhq h ALA 187 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fhq h ALA 187 Cb -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3fhq h ALA 187 CO -0.05 0.48 0.04 0.35 0.00 0.00 0.00 179.25 180.07 3fhq h PHE 188 N 0.94 0.08 -0.82 0.00 3.57 0.27 0.16 116.94 121.15 3fhq h PHE 188 Ca 0.22 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3fhq h PHE 188 Cb 0.21 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3fhq h PHE 188 CO 0.01 0.07 0.42 -0.07 -2.23 0.00 0.00 178.31 176.51 3fhq h LEU 189 N 0.07 1.05 -0.63 0.59 3.38 -0.66 -1.28 115.31 117.83 3fhq h LEU 189 Ca 0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3fhq h LEU 189 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3fhq h LEU 189 CO -0.00 0.87 0.14 0.58 0.09 0.00 0.00 178.44 180.12 3fhq h VAL 190 N 1.15 1.26 -0.78 1.22 2.07 -0.91 -1.80 116.25 118.46 3fhq h VAL 190 Ca 0.29 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3fhq h VAL 190 Cb 0.08 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3fhq h VAL 190 CO -0.04 0.36 0.44 0.22 0.02 0.00 0.00 177.57 178.56 3fhq h TYR 191 N 0.94 1.05 -0.35 1.57 3.20 -0.32 -1.36 116.97 121.69 3fhq h TYR 191 Ca 0.20 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.12 3fhq h TYR 191 Cb 0.38 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 3fhq h TYR 191 CO 0.03 0.73 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.11 3fhq h LEU 192 N 1.07 -0.35 -0.92 2.82 4.07 -0.90 -1.45 115.31 119.65 3fhq h LEU 192 Ca 0.27 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.36 3fhq h LEU 192 Cb 0.02 0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3fhq h LEU 192 CO -0.05 -0.13 0.60 1.56 -1.08 0.00 0.00 178.44 179.35 3fhq h GLN 193 N -0.01 1.17 -0.35 1.13 1.08 -0.42 0.12 115.11 117.84 3fhq h GLN 193 Ca 0.17 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 3fhq h GLN 193 Cb 0.27 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3fhq h GLN 193 CO -0.37 0.77 -0.29 0.93 -0.95 0.00 0.00 178.83 178.93 3fhq h GLU 194 N 1.21 0.73 0.00 1.46 5.08 -0.97 -3.32 114.58 118.77 3fhq h GLU 194 Ca 0.35 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 3fhq h GLU 194 Cb -0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3fhq h GLU 194 CO -0.09 0.93 -1.51 1.04 -1.00 0.00 0.00 179.01 178.37 3fhq n GLN 195 N -4.09 0.63 -1.72 2.33 1.13 -0.57 -4.98 117.38 110.11 3fhq n GLN 195 Ca -0.01 0.14 -0.35 0.00 -1.94 0.00 0.00 57.00 54.84 3fhq n GLN 195 Cb 0.47 -1.75 0.06 0.00 0.11 0.00 0.00 30.24 29.13 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 -3.01 2.56 0.64 -1.09 -2.85 0.41 -5.01 119.74 111.39 3fhq s LYS 196 Ca -0.04 1.78 -0.16 0.00 -1.00 0.00 0.00 55.97 56.55 3fhq s LYS 196 Cb 0.09 -1.88 -0.01 0.00 -2.06 0.00 0.00 37.83 33.97 3fhq s LYS 196 CO 0.82 -1.52 1.14 -2.14 0.10 0.00 0.00 175.35 173.75 3fhq s PRO 197 N -3.65 2.82 0.34 1.78 0.02 -1.26 -4.97 135.00 130.08 3fhq s PRO 197 Ca 0.76 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 3fhq s PRO 197 Cb -0.30 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.16 3fhq s PRO 197 CO 0.40 -1.26 1.41 -1.91 -0.33 0.00 0.00 177.00 175.31 3fhq n GLU 198 N -2.17 2.38 0.00 5.54 2.13 -1.26 -2.21 120.64 125.05 3fhq n GLU 198 Ca 0.11 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.77 3fhq n GLU 198 Cb 0.51 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 0.97 3.00 3.77 8.31 0.00 -1.26 -5.04 105.19 114.93 3fhq n GLY 199 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 3.75 -0.12 1.61 -2.45 -0.94 -4.98 119.30 116.04 3fhq s MET 200 Ca 0.00 2.27 0.01 0.00 -1.25 0.00 0.00 55.69 56.72 3fhq s MET 200 Cb 0.00 -2.65 0.02 0.00 1.25 0.00 0.00 34.83 33.45 3fhq s MET 200 CO 0.00 -0.71 -0.15 -1.58 1.05 0.00 0.00 175.02 173.63 3fhq s HIS 201 N -1.25 2.03 -0.24 4.11 2.46 0.90 -4.96 115.29 118.35 3fhq s HIS 201 Ca 0.60 -1.02 -0.04 0.00 0.47 0.00 0.00 55.06 55.07 3fhq s HIS 201 Cb -0.40 -1.48 -0.00 0.00 -0.13 0.00 0.00 32.58 30.56 3fhq s HIS 201 CO 0.52 -0.54 -0.02 0.42 -2.47 0.00 0.00 174.74 172.65 3fhq s ILE 202 N 1.17 3.47 -0.17 0.89 -1.09 -1.26 -1.42 121.20 122.79 3fhq s ILE 202 Ca -0.02 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3fhq s ILE 202 Cb -0.14 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 3fhq s ILE 202 CO -0.05 0.32 -0.06 -0.32 -1.23 0.00 0.00 174.94 173.61 3fhq s MET 203 N 1.47 3.53 -0.14 2.79 -2.45 -0.21 -1.18 119.30 123.11 3fhq s MET 203 Ca 0.04 -0.58 -0.06 0.00 -1.25 0.00 0.00 55.69 53.84 3fhq s MET 203 Cb -0.15 -2.88 -0.04 0.00 1.25 0.00 0.00 34.83 33.01 3fhq s MET 203 CO -0.02 0.11 0.06 -0.46 1.05 0.00 0.00 175.02 175.77 3fhq s TRP 204 N 0.67 3.31 0.16 4.11 -0.11 -0.38 -0.69 118.94 126.00 3fhq s TRP 204 Ca -0.03 0.21 -0.29 0.00 1.22 0.00 0.00 56.10 57.21 3fhq s TRP 204 Cb -0.15 -1.97 -0.07 0.00 -1.50 0.00 0.00 33.47 29.78 3fhq s TRP 204 CO 0.02 0.37 0.90 -0.47 -4.62 0.00 0.00 176.95 173.15 3fhq s TYR 205 N -0.27 3.88 -0.63 5.86 5.04 -0.63 -0.58 117.35 130.01 3fhq s TYR 205 Ca 0.08 1.77 -0.27 0.00 -2.44 0.00 0.00 57.07 56.21 3fhq s TYR 205 Cb -0.12 -2.95 0.01 0.00 0.35 0.00 0.00 41.96 39.25 3fhq s TYR 205 CO 0.02 0.36 1.49 0.34 -1.34 0.00 0.00 175.55 176.41 3fhq s ASP 206 N -0.61 5.92 0.00 4.32 2.15 0.27 -4.52 116.67 124.20 3fhq s ASP 206 Ca 0.42 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.47 3fhq s ASP 206 Cb -0.24 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 3fhq s ASP 206 CO 0.29 -1.92 0.00 -1.54 -0.17 0.00 0.00 175.17 171.83 3fhq n SER 207 N 10.33 0.00 -4.67 -0.34 3.41 -1.26 -4.31 113.62 116.78 3fhq n SER 207 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 3fhq n SER 207 Cb 0.50 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.46 4.21 0.30 4.33 -2.45 -1.23 -1.71 119.30 122.28 3fhq s MET 208 Ca 0.00 2.14 -0.01 0.00 -1.25 0.00 0.00 55.69 56.57 3fhq s MET 208 Cb 0.00 -3.83 0.06 0.00 1.25 0.00 0.00 34.83 32.31 3fhq s MET 208 CO 0.00 -0.77 0.41 0.44 1.05 0.00 0.00 175.02 176.15 3fhq n ILE 209 N 5.20 0.00 0.08 10.11 -5.35 -0.38 -4.89 119.36 124.14 3fhq n ILE 209 Ca 0.16 -0.56 0.12 0.00 -0.27 0.00 0.00 62.75 62.20 3fhq n ILE 209 Cb 0.43 -1.32 0.60 0.00 -1.74 0.00 0.00 39.64 37.61 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 -0.32 0.14 0.93 7.28 3.04 -1.49 -1.07 116.42 124.93 3fhq h ASP 210 Ca -0.13 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 3fhq h ASP 210 Cb 0.46 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 3fhq h ASP 210 CO 0.13 0.09 -0.03 0.35 -2.04 0.00 0.00 179.24 177.74 3fhq n THR 211 N -4.47 0.00 0.00 1.15 -2.24 -1.26 -4.72 114.28 102.73 3fhq n THR 211 Ca 0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3fhq n THR 211 Cb 0.28 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.48 2.37 3.74 3.38 0.00 -0.40 -2.33 105.19 113.43 3fhq n GLY 212 Ca 0.08 0.00 -0.35 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 -2.39 2.29 -0.33 4.61 0.00 -1.26 -4.34 121.76 120.35 3fhq s ALA 213 Ca 0.00 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 3fhq s ALA 213 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3fhq s ALA 213 CO 0.00 -1.59 0.59 0.42 0.00 0.00 0.00 175.76 175.18 3fhq s ILE 214 N -1.93 4.95 -0.48 0.00 1.01 -1.26 -1.24 121.20 122.25 3fhq s ILE 214 Ca 0.74 0.64 0.06 0.00 0.00 0.00 0.00 60.65 62.09 3fhq s ILE 214 Cb -0.28 -4.00 0.24 0.00 0.01 0.00 0.00 42.46 38.43 3fhq s ILE 214 CO 0.41 -0.20 0.86 0.00 0.00 0.00 0.00 174.94 176.02 3fhq n ALA 215 N 5.87 -1.01 -1.30 9.38 0.00 -0.70 -4.98 120.51 127.77 3fhq n ALA 215 Ca -0.02 -1.61 -0.51 0.00 0.00 0.00 0.00 53.44 51.30 3fhq n ALA 215 Cb 0.49 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 1.59 0.86 0.00 0.00 8.01 -1.22 -4.78 117.44 121.90 3fhq n TRP 216 Ca 0.10 0.90 -0.03 0.00 -1.31 0.00 0.00 57.50 57.16 3fhq n TRP 216 Cb 0.62 -1.75 -0.11 0.00 -2.01 0.00 0.00 31.31 28.06 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 1.98 0.63 -0.88 -0.99 1.13 -1.26 -4.96 117.38 113.04 3fhq n GLN 217 Ca 0.20 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 3fhq n GLN 217 Cb 0.02 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.62 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 -2.88 -2.31 -3.80 1.08 3.02 -1.26 -4.90 115.26 104.22 3fhq n ASN 218 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.32 3fhq n ASN 218 Cb 0.91 -1.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.42 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 -1.99 -0.07 -0.21 3.10 3.76 -1.26 -4.60 115.29 114.01 3fhq s HIS 219 Ca 0.00 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.32 3fhq s HIS 219 Cb 0.00 0.44 0.00 0.00 1.11 0.00 0.00 32.58 34.13 3fhq s HIS 219 CO 0.00 -1.00 1.09 -1.17 -0.85 0.00 0.00 174.74 172.81 3fhq s LEU 220 N -2.90 4.12 0.00 0.89 2.96 -1.26 -4.95 118.68 117.53 3fhq s LEU 220 Ca 0.12 1.45 0.04 0.00 -0.22 0.00 0.00 54.13 55.52 3fhq s LEU 220 Cb -0.02 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 3fhq s LEU 220 CO 0.01 -0.69 0.14 0.35 -1.32 0.00 0.00 176.35 174.84 3fhq n THR 221 N 5.33 0.00 0.27 3.68 -2.24 -1.26 -4.52 114.28 115.54 3fhq n THR 221 Ca 0.12 -2.38 0.14 0.00 -2.27 0.00 0.00 64.05 59.67 3fhq n THR 221 Cb 0.46 0.84 0.78 0.00 -2.10 0.00 0.00 70.33 70.31 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 1.62 0.00 1.48 3.42 3.32 -2.00 -0.52 116.42 123.74 3fhq h ASP 222 Ca -0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 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 0.51 0.09 -0.07 0.03 -1.72 0.00 0.00 179.24 178.09 3fhq h ARG 223 N 0.00 0.00 0.00 3.56 2.47 -1.98 -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 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3fhq h ARG 223 CO 0.01 0.07 0.00 0.27 0.56 0.00 0.00 179.97 180.88 3fhq n ASN 224 N -3.14 0.24 0.28 7.04 0.23 -1.02 -1.22 115.26 117.66 3fhq n ASN 224 Ca 0.02 -0.64 0.14 0.00 -0.53 0.00 0.00 54.58 53.57 3fhq n ASN 224 Cb 0.45 0.21 0.79 0.00 -2.08 0.00 0.00 39.78 39.15 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 -1.27 -1.77 116.57 111.80 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 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3fhq h LYS 225 CO 0.00 0.09 0.00 0.00 -2.00 0.00 0.00 179.45 177.54 3fhq n MET 226 N -3.58 0.08 0.01 0.07 0.00 -1.26 -1.37 117.12 111.07 3fhq n MET 226 Ca -0.02 0.21 0.11 0.00 0.00 0.00 0.00 57.70 58.00 3fhq n MET 226 Cb 0.21 -1.50 0.08 0.00 0.00 0.00 0.00 33.22 32.01 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 -1.42 0.09 -0.11 3.17 4.01 -0.66 -4.38 117.16 117.86 3fhq n TYR 227 Ca 0.05 0.03 -0.21 0.00 -0.16 0.00 0.00 57.90 57.60 3fhq n TYR 227 Cb 0.16 -0.25 -0.07 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.66 1.70 -3.69 7.72 7.94 -0.64 -3.53 117.00 124.84 3fhq n LEU 228 Ca 0.04 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 55.10 3fhq n LEU 228 Cb 0.37 -0.69 -0.09 0.00 0.53 0.00 0.00 43.42 43.54 3fhq n LEU 228 CO 0.39 0.30 0.20 -1.58 -1.11 0.00 0.00 177.39 175.59 3fhq s GLN 229 N -2.51 0.60 -0.29 1.96 2.00 -0.47 -1.36 119.66 119.58 3fhq s GLN 229 Ca -0.31 0.76 -0.01 0.00 -2.00 0.00 0.00 55.36 53.80 3fhq s GLN 229 Cb 0.11 0.26 0.09 0.00 0.80 0.00 0.00 33.01 34.27 3fhq s GLN 229 CO 0.40 -0.08 0.09 1.21 -0.50 0.00 0.00 175.29 176.40 3fhq s ASN 230 N 0.45 3.86 1.57 6.67 3.84 -0.07 -4.13 114.94 127.13 3fhq s ASN 230 Ca -0.01 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.56 3fhq s ASN 230 Cb -0.04 -0.82 0.00 0.00 -0.55 0.00 0.00 41.25 39.84 3fhq s ASN 230 CO -0.02 -0.40 0.00 0.61 -2.79 0.00 0.00 177.10 174.51 3fhq n GLY 231 N 4.89 3.55 0.56 1.21 0.00 -1.26 -0.99 105.19 113.14 3fhq n GLY 231 Ca -0.03 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 7.91 2.01 -4.72 1.61 3.41 -1.26 -4.87 113.62 117.70 3fhq n SER 232 Ca 0.00 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.71 3fhq n SER 232 Cb 0.00 0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.30 5.07 -0.10 6.66 2.01 -0.17 -5.05 115.64 121.77 3fhq s THR 233 Ca 0.24 1.28 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 3fhq s THR 233 Cb 0.19 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3fhq s THR 233 CO 0.46 0.29 0.73 -0.60 -0.69 0.00 0.00 174.62 174.82 3fhq s ARG 234 N 0.63 4.40 -0.25 4.92 3.52 -1.26 -0.89 118.95 130.01 3fhq s ARG 234 Ca 0.33 0.91 -0.01 0.00 -0.13 0.00 0.00 55.73 56.84 3fhq s ARG 234 Cb -0.17 -3.49 -0.16 0.00 -1.56 0.00 0.00 34.95 29.58 3fhq s ARG 234 CO 0.16 -0.05 -0.24 0.28 -0.81 0.00 0.00 175.30 174.64 3fhq n VAL 235 N 4.06 1.44 -3.83 7.11 0.31 -0.47 -4.66 118.33 122.29 3fhq n VAL 235 Ca 0.00 -0.52 -0.10 0.00 -0.01 0.00 0.00 64.34 63.72 3fhq n VAL 235 Cb 0.51 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.50 -0.36 -0.01 3.52 0.00 -0.83 -3.95 121.76 117.63 3fhq s ALA 236 Ca -0.34 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 51.38 3fhq s ALA 236 Cb 0.10 0.41 0.34 0.00 0.00 0.00 0.00 23.12 23.97 3fhq s ALA 236 CO 0.56 -0.45 1.57 -0.44 0.00 0.00 0.00 175.76 177.00 3fhq h ASP 237 N 3.03 0.00 -5.11 0.00 3.32 -1.45 -3.45 116.42 112.75 3fhq h ASP 237 Ca -0.33 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.84 3fhq h ASP 237 Cb 1.20 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 3fhq h ASP 237 CO 0.52 0.45 0.41 -0.94 -1.72 0.00 0.00 179.24 177.95 3fhq s SER 238 N -6.43 -0.26 -0.04 6.45 1.04 -1.19 -4.85 113.70 108.41 3fhq s SER 238 Ca 0.02 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.13 3fhq s SER 238 Cb 0.09 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.76 3fhq s SER 238 CO 0.72 -0.95 -0.07 -0.32 0.98 0.00 0.00 173.24 173.60 3fhq s MET 239 N -3.43 0.93 -0.45 4.02 1.75 -0.16 -1.25 119.30 120.71 3fhq s MET 239 Ca 0.10 -0.20 -0.20 0.00 -1.25 0.00 0.00 55.69 54.14 3fhq s MET 239 Cb -0.02 -0.88 0.03 0.00 2.84 0.00 0.00 34.83 36.79 3fhq s MET 239 CO -0.00 -0.00 0.61 0.12 -0.65 0.00 0.00 175.02 175.10 3fhq s PHE 240 N 0.62 3.07 0.14 4.11 5.36 0.25 -0.37 117.98 131.16 3fhq s PHE 240 Ca -0.09 -0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.39 3fhq s PHE 240 Cb -0.12 -3.32 -0.07 0.00 -0.34 0.00 0.00 43.02 39.17 3fhq s PHE 240 CO 0.01 -0.88 1.19 -0.51 -1.46 0.00 0.00 175.22 173.56 3fhq s LEU 241 N 2.70 4.43 1.02 6.12 1.02 0.14 -0.56 118.68 133.54 3fhq s LEU 241 Ca 0.20 2.13 -0.11 0.00 0.02 0.00 0.00 54.13 56.37 3fhq s LEU 241 Cb -0.15 -3.60 0.19 0.00 0.02 0.00 0.00 46.19 42.66 3fhq s LEU 241 CO 0.17 -0.39 1.04 -3.20 0.02 0.00 0.00 176.35 174.00 3fhq n ASN 242 N 3.02 -0.57 0.24 2.29 5.15 -1.26 -1.06 115.26 123.07 3fhq n ASN 242 Ca 0.06 0.20 0.14 0.00 -0.60 0.00 0.00 54.58 54.37 3fhq n ASN 242 Cb 0.45 -1.38 0.37 0.00 -0.53 0.00 0.00 39.78 38.70 3fhq n ASN 242 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3fhq h PHE 243 N -2.18 0.00 -1.36 1.20 -1.00 -1.90 -3.39 116.94 108.30 3fhq h PHE 243 Ca -0.50 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 59.53 3fhq h PHE 243 Cb 1.30 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.71 3fhq h PHE 243 CO 0.40 0.00 2.14 0.91 -1.61 0.00 0.00 178.31 180.15 3fhq n TRP 244 N -3.05 2.73 -4.23 -0.55 8.01 -1.26 -4.88 117.44 114.21 3fhq n TRP 244 Ca 0.03 -2.79 -0.21 0.00 -1.31 0.00 0.00 57.50 53.22 3fhq n TRP 244 Cb 0.44 -1.85 -0.12 0.00 -2.01 0.00 0.00 31.31 27.77 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 -0.53 1.50 -0.01 -5.99 1.48 -1.26 -4.85 118.94 109.28 3fhq s TRP 245 Ca 0.46 -0.44 0.07 0.00 -1.06 0.00 0.00 56.10 55.12 3fhq s TRP 245 Cb 0.14 -0.83 -0.10 0.00 -1.16 0.00 0.00 33.47 31.52 3fhq s TRP 245 CO -0.04 0.13 0.15 0.54 -4.06 0.00 0.00 176.95 173.67 3fhq n ARG 246 N 1.14 0.26 -3.69 3.25 5.12 -1.26 -4.85 116.66 116.63 3fhq n ARG 246 Ca -0.20 -0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.53 3fhq n ARG 246 Cb 0.54 -1.15 -0.07 0.00 -1.16 0.00 0.00 32.46 30.62 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 -2.74 -0.27 0.00 0.55 2.15 -1.26 -4.00 116.67 111.09 3fhq s ASP 247 Ca -0.02 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.01 3fhq s ASP 247 Cb 0.04 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 3fhq s ASP 247 CO 0.27 -0.60 0.60 0.00 -0.17 0.00 0.00 175.17 175.28 3fhq n GLN 248 N 0.73 0.80 -0.26 4.34 1.13 -0.44 -4.75 117.38 118.94 3fhq n GLN 248 Ca -0.19 -0.78 0.06 0.00 -1.94 0.00 0.00 57.00 54.14 3fhq n GLN 248 Cb 0.59 -0.82 0.19 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 0.35 -0.50 -1.09 2.43 -1.92 -1.91 114.38 111.73 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 0.46 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3fhq h ARG 249 CO 0.00 0.23 0.19 -0.56 -1.51 0.00 0.00 179.97 178.32 3fhq h GLN 250 N 0.36 0.73 -0.31 0.20 3.07 -1.97 -0.25 115.11 116.93 3fhq h GLN 250 Ca 0.43 -0.11 -0.16 0.00 0.09 0.00 0.00 58.65 58.90 3fhq h GLN 250 Cb 0.70 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 3fhq h GLN 250 CO -0.46 0.61 -0.43 0.77 0.09 0.00 0.00 178.83 179.41 3fhq h SER 251 N 0.72 0.91 0.01 0.06 0.02 -1.61 -1.06 113.55 112.62 3fhq h SER 251 Ca 0.17 -0.50 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3fhq h SER 251 Cb 0.16 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3fhq h SER 251 CO -0.01 1.24 -0.20 -1.13 -1.14 0.00 0.00 176.83 175.59 3fhq h ASN 252 N 0.61 -0.57 -0.55 3.07 -0.73 -0.94 0.18 115.58 116.65 3fhq h ASN 252 Ca 0.03 0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.32 3fhq h ASN 252 Cb 1.03 0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.81 3fhq h ASN 252 CO 0.10 -0.26 0.32 -0.33 -0.37 0.00 0.00 177.43 176.89 3fhq h GLU 253 N -0.32 0.61 -0.63 6.67 5.08 -0.99 -1.56 114.58 123.44 3fhq h GLU 253 Ca 0.05 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3fhq h GLU 253 Cb 0.39 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3fhq h GLU 253 CO -0.17 0.40 0.17 1.25 -1.00 0.00 0.00 179.01 179.66 3fhq h LEU 254 N 0.63 0.91 -0.68 1.33 5.85 -1.03 -1.86 115.31 120.45 3fhq h LEU 254 Ca 0.23 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3fhq h LEU 254 Cb 0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3fhq h LEU 254 CO -0.12 0.87 0.25 0.00 -0.34 0.00 0.00 178.44 179.09 3fhq h ALA 255 N 1.25 0.89 -0.55 1.25 0.00 -0.50 -1.08 119.26 120.53 3fhq h ALA 255 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3fhq h ALA 255 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fhq h ALA 255 CO -0.00 0.54 0.25 1.96 0.00 0.00 0.00 179.25 182.00 3fhq h GLN 256 N 0.99 0.79 0.00 0.00 4.20 -1.05 0.46 115.11 120.50 3fhq h GLN 256 Ca 0.22 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3fhq h GLN 256 Cb 0.25 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3fhq h GLN 256 CO -0.01 0.66 -0.10 0.00 -0.67 0.00 0.00 178.83 178.71 3fhq h ALA 257 N 1.09 1.53 -0.00 3.87 0.00 -0.86 -0.52 119.26 124.36 3fhq h ALA 257 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fhq h ALA 257 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fhq h ALA 257 CO -0.02 0.12 -0.16 1.28 0.00 0.00 0.00 179.25 180.47 3fhq n LEU 258 N -3.97 0.25 -0.77 0.00 4.77 -0.45 -4.92 117.00 111.90 3fhq n LEU 258 Ca -0.02 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.13 3fhq n LEU 258 Cb 0.19 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3fhq n LEU 258 CO 0.32 0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 176.98 3fhq n GLY 259 N 1.43 0.15 3.39 -0.72 0.00 -0.20 -4.96 105.19 104.29 3fhq n GLY 259 Ca 0.09 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.41 1.41 0.16 1.61 1.81 0.10 -5.02 118.95 114.62 3fhq s ARG 260 Ca 0.02 -1.41 -0.31 0.00 -1.72 0.00 0.00 55.73 52.31 3fhq s ARG 260 Cb -0.01 -1.78 -0.09 0.00 -0.45 0.00 0.00 34.95 32.62 3fhq s ARG 260 CO 0.02 0.40 1.46 0.45 -0.68 0.00 0.00 175.30 176.95 3fhq s SER 261 N -2.34 6.71 0.54 0.23 0.15 -1.26 -3.63 113.70 114.10 3fhq s SER 261 Ca 0.16 2.50 0.31 0.00 0.70 0.00 0.00 55.95 59.62 3fhq s SER 261 Cb -0.09 -2.60 1.69 0.00 -1.71 0.00 0.00 66.02 63.32 3fhq s SER 261 CO 0.07 -0.71 1.94 -0.65 1.20 0.00 0.00 173.24 175.09 3fhq h PRO 262 N 6.39 0.00 -0.38 5.44 0.11 -1.85 -1.94 132.00 139.77 3fhq h PRO 262 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.86 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.31 3fhq n TYR 263 N -2.69 0.50 1.05 0.65 4.02 -1.26 -2.30 117.16 117.12 3fhq n TYR 263 Ca -0.02 -0.24 0.12 0.00 -0.01 0.00 0.00 57.90 57.75 3fhq n TYR 263 Cb 0.18 -0.02 0.30 0.00 -0.02 0.00 0.00 39.34 39.78 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 0.52 2.41 -4.66 7.72 8.00 -0.73 -4.46 116.55 125.34 3fhq n ASP 264 Ca 0.12 -1.80 -0.35 0.00 0.71 0.00 0.00 54.79 53.47 3fhq n ASP 264 Cb 0.32 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.81 3.90 -0.37 0.64 1.43 -0.97 -0.98 118.68 120.51 3fhq s LEU 265 Ca 0.34 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3fhq s LEU 265 Cb 0.20 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.54 3fhq s LEU 265 CO 0.31 0.19 0.12 -0.31 0.23 0.00 0.00 176.35 176.88 3fhq s TYR 266 N 0.29 3.63 0.02 0.29 2.02 0.50 -0.32 117.35 123.77 3fhq s TYR 266 Ca 0.04 -2.61 -0.30 0.00 -0.37 0.00 0.00 57.07 53.84 3fhq s TYR 266 Cb -0.12 -2.99 -0.08 0.00 -0.40 0.00 0.00 41.96 38.37 3fhq s TYR 266 CO -0.00 -0.95 1.95 0.00 -1.57 0.00 0.00 175.55 174.98 3fhq s ALA 267 N 1.05 3.54 0.23 3.71 0.00 0.10 -0.69 121.76 129.71 3fhq s ALA 267 Ca 0.08 1.26 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 3fhq s ALA 267 Cb -0.21 -3.85 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 3fhq s ALA 267 CO -0.05 -1.62 0.87 0.20 0.00 0.00 0.00 175.76 175.16 3fhq s GLY 268 N 4.52 2.94 -0.09 0.00 0.00 -0.22 -0.26 107.32 114.21 3fhq s GLY 268 Ca 0.88 0.48 0.02 0.00 0.00 0.00 0.00 44.72 46.09 3fhq s GLY 268 CO 0.40 0.98 -0.13 0.14 0.00 0.00 0.00 173.10 174.50 3fhq s VAL 269 N -1.30 1.26 -0.54 1.40 1.01 0.15 -4.34 120.40 118.05 3fhq s VAL 269 Ca 0.42 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 3fhq s VAL 269 Cb -0.23 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 35.04 3fhq s VAL 269 CO 0.27 0.39 0.75 -0.62 0.00 0.00 0.00 175.10 175.89 3fhq s ASP 270 N 0.98 6.25 0.00 3.32 -1.08 -1.26 -1.03 116.67 123.85 3fhq s ASP 270 Ca -0.08 -0.78 0.10 0.00 -0.52 0.00 0.00 52.55 51.27 3fhq s ASP 270 Cb -0.15 -2.34 0.27 0.00 -1.46 0.00 0.00 42.92 39.23 3fhq s ASP 270 CO -0.00 -1.05 1.21 1.33 0.52 0.00 0.00 175.17 177.17 3fhq n VAL 271 N 5.81 0.93 -0.11 1.11 0.24 -0.83 -4.74 118.33 120.74 3fhq n VAL 271 Ca -0.04 -0.97 -0.05 0.00 -2.04 0.00 0.00 64.34 61.24 3fhq n VAL 271 Cb 0.46 0.55 0.02 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 1.86 0.11 0.11 7.34 4.81 -1.71 -0.52 114.58 126.57 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 0.69 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3fhq h GLU 272 CO 0.00 0.07 -1.34 0.00 -0.73 0.00 0.00 179.01 177.02 3fhq h ALA 273 N 1.33 0.20 0.00 2.92 0.00 -1.91 -3.41 119.26 118.39 3fhq h ALA 273 Ca 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3fhq h ALA 273 Cb 0.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fhq h ALA 273 CO -0.31 1.07 0.00 0.54 0.00 0.00 0.00 179.25 180.55 3fhq n ARG 274 N -3.48 4.53 0.00 0.00 1.74 -1.20 -5.07 116.66 113.19 3fhq n ARG 274 Ca -0.11 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3fhq n ARG 274 Cb 1.02 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 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 0.67 2.90 0.00 -0.13 0.00 -0.21 -0.29 105.19 108.13 3fhq n GLY 275 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 1.29 0.25 2.61 -2.24 -1.26 -1.30 114.28 113.63 3fhq n THR 276 Ca 0.00 0.33 0.09 0.00 -2.27 0.00 0.00 64.05 62.19 3fhq n THR 276 Cb 0.00 -1.15 0.24 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.52 2.95 -4.67 3.42 7.64 0.60 -4.61 113.62 117.43 3fhq n SER 277 Ca 0.02 -2.02 -0.43 0.00 1.01 0.00 0.00 58.87 57.46 3fhq n SER 277 Cb 0.12 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 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 4.11 0.16 0.44 2.01 -0.42 -4.95 115.64 115.68 3fhq s THR 278 Ca 0.36 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 3fhq s THR 278 Cb 0.19 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 3fhq s THR 278 CO 0.24 -0.09 1.23 -2.84 -0.69 0.00 0.00 174.62 172.48 3fhq s PRO 279 N 3.22 4.45 -0.02 4.92 0.02 -1.26 -4.96 135.00 141.37 3fhq s PRO 279 Ca 0.59 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 3fhq s PRO 279 Cb -0.25 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.03 3fhq s PRO 279 CO 0.19 -0.17 0.04 0.08 -0.33 0.00 0.00 177.00 176.81 3fhq s VAL 280 N 0.24 -0.02 -1.43 3.83 1.01 -1.26 -5.02 120.40 117.74 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 0.06 0.00 0.00 0.00 0.00 36.38 36.03 3fhq s VAL 280 CO 0.35 0.04 2.16 0.00 0.00 0.00 0.00 175.10 177.65 3fhq n GLN 281 N 3.54 2.96 -0.34 2.72 1.13 -1.26 -4.82 117.38 121.31 3fhq n GLN 281 Ca -0.19 -2.74 0.06 0.00 -1.94 0.00 0.00 57.00 52.19 3fhq n GLN 281 Cb 0.56 -3.26 0.25 0.00 0.11 0.00 0.00 30.24 27.90 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 6.05 1.09 -0.22 1.08 4.06 -1.96 0.87 115.95 126.93 3fhq h TRP 282 Ca 0.54 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.58 3fhq h TRP 282 Cb 0.65 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 3fhq h TRP 282 CO 1.43 0.48 0.16 0.93 -3.56 0.00 0.00 178.44 177.88 3fhq h GLU 283 N 0.99 0.04 0.00 0.49 3.07 -1.88 0.51 114.58 117.81 3fhq h GLU 283 Ca 0.45 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3fhq h GLU 283 Cb 0.40 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3fhq h GLU 283 CO -0.21 0.02 0.00 0.78 -1.40 0.00 0.00 179.01 178.20 3fhq h GLY 284 N 0.04 0.00 0.00 -3.84 0.00 -0.95 -2.98 103.07 95.33 3fhq h GLY 284 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.30 3fhq h GLY 284 CO -0.01 0.00 -1.48 -0.10 0.00 0.00 0.00 176.54 174.96 3fhq n LEU 285 N -2.42 2.40 -3.92 3.11 7.94 -0.13 -1.33 117.00 122.65 3fhq n LEU 285 Ca 0.01 -0.01 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3fhq n LEU 285 Cb 0.22 -0.28 -0.11 0.00 0.53 0.00 0.00 43.42 43.78 3fhq n LEU 285 CO 0.20 0.53 0.05 0.49 -1.11 0.00 0.00 177.39 177.54 3fhq n PHE 286 N -2.90 3.46 -1.15 1.96 3.01 0.16 -1.35 117.46 120.65 3fhq n PHE 286 Ca -0.15 -4.28 -0.31 0.00 1.01 0.00 0.00 57.45 53.72 3fhq n PHE 286 Cb 0.65 -0.72 0.11 0.00 -0.01 0.00 0.00 39.48 39.51 3fhq n PHE 286 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3fhq s PRO 287 N -1.51 1.95 0.10 -1.08 0.04 -1.13 -4.42 135.00 128.95 3fhq s PRO 287 Ca 0.26 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 3fhq s PRO 287 Cb -0.04 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 3fhq s PRO 287 CO -0.16 -1.90 1.74 0.93 0.04 0.00 0.00 177.00 177.66 3fhq h GLU 288 N -1.20 0.06 0.00 4.56 5.08 -1.94 -3.27 114.58 117.86 3fhq h GLU 288 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3fhq h GLU 288 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fhq h GLU 288 CO 0.49 0.04 -0.03 0.41 -1.00 0.00 0.00 179.01 178.92 3fhq n GLY 289 N -1.12 2.81 3.51 -3.84 0.00 -1.26 -4.97 105.19 100.31 3fhq n GLY 289 Ca -0.05 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 3fhq n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fhq s GLU 290 N -1.40 1.83 0.95 1.61 2.02 -1.24 -5.12 118.70 117.36 3fhq s GLU 290 Ca 0.09 -1.39 -0.13 0.00 0.02 0.00 0.00 54.97 53.57 3fhq s GLU 290 Cb 0.08 -2.02 0.16 0.00 0.10 0.00 0.00 34.13 32.45 3fhq s GLU 290 CO 0.01 0.42 1.13 -1.59 0.02 0.00 0.00 175.26 175.24 3fhq s LYS 291 N -2.79 0.81 0.36 1.61 -2.85 -1.26 -4.42 119.74 111.19 3fhq s LYS 291 Ca 0.23 0.32 -0.28 0.00 -1.00 0.00 0.00 55.97 55.24 3fhq s LYS 291 Cb -0.08 -1.80 -0.11 0.00 -2.06 0.00 0.00 37.83 33.78 3fhq s LYS 291 CO 0.13 -2.43 1.50 0.00 0.10 0.00 0.00 175.35 174.65 3fhq n ALA 292 N -3.93 2.36 -0.13 0.59 0.00 -1.26 -4.48 120.51 113.66 3fhq n ALA 292 Ca 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 3fhq n ALA 292 Cb 0.59 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 3fhq n ALA 292 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fhq h HIS 293 N 3.34 1.08 -1.91 0.00 -0.00 -1.55 -3.48 115.15 112.64 3fhq h HIS 293 Ca -0.50 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 59.58 3fhq h HIS 293 Cb 1.24 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3fhq h HIS 293 CO 0.54 1.11 0.00 0.25 -0.00 0.00 0.00 177.93 179.83 3fhq n THR 294 N -4.13 0.00 -2.36 2.45 -2.24 -1.26 -4.41 114.28 102.33 3fhq n THR 294 Ca -0.02 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 3fhq n THR 294 Cb 0.49 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.79 3.85 -0.06 3.42 0.01 0.56 -4.71 113.70 115.99 3fhq s SER 295 Ca 0.00 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.11 3fhq s SER 295 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3fhq s SER 295 CO 0.00 -2.21 -0.15 -0.22 0.41 0.00 0.00 173.24 171.07 3fhq s LEU 296 N -5.42 2.70 -0.20 2.44 2.96 0.77 -0.73 118.68 121.19 3fhq s LEU 296 Ca 0.70 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 3fhq s LEU 296 Cb -0.04 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.13 3fhq s LEU 296 CO 0.48 0.32 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.84 3fhq s GLY 297 N -0.60 1.44 -0.37 7.98 0.00 0.64 -1.36 107.32 115.06 3fhq s GLY 297 Ca 0.09 -1.36 -0.14 0.00 0.00 0.00 0.00 44.72 43.31 3fhq s GLY 297 CO 0.01 0.44 0.26 1.08 0.00 0.00 0.00 173.10 174.89 3fhq s LEU 298 N 1.26 4.76 -0.31 0.66 1.43 -0.06 0.34 118.68 126.75 3fhq s LEU 298 Ca 0.00 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 3fhq s LEU 298 Cb -0.15 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 3fhq s LEU 298 CO -0.10 -0.33 0.68 -0.47 0.23 0.00 0.00 176.35 176.37 3fhq s TYR 299 N 1.70 3.20 -0.54 0.29 5.04 -0.20 -0.99 117.35 125.84 3fhq s TYR 299 Ca 0.05 0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 55.30 3fhq s TYR 299 Cb -0.18 -3.09 0.00 0.00 0.35 0.00 0.00 41.96 39.04 3fhq s TYR 299 CO 0.10 -0.53 0.46 0.54 -1.34 0.00 0.00 175.55 174.78 3fhq n ARG 300 N 6.01 -3.05 0.06 4.97 5.12 0.71 -1.97 116.66 128.51 3fhq n ARG 300 Ca 0.00 0.36 0.05 0.00 -1.93 0.00 0.00 57.85 56.34 3fhq n ARG 300 Cb 0.49 -3.96 0.24 0.00 -1.16 0.00 0.00 32.46 28.07 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 -2.38 0.05 0.00 5.56 -0.02 -1.26 -1.03 135.00 135.92 3fhq n PRO 301 Ca -0.08 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3fhq n PRO 301 Cb 0.56 -1.67 0.47 0.00 -0.02 0.00 0.00 33.50 32.85 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 -1.78 0.00 -0.33 2.55 5.75 -1.26 -2.33 116.55 119.15 3fhq n ASP 302 Ca -0.00 -0.71 0.31 0.00 -0.01 0.00 0.00 54.79 54.38 3fhq n ASP 302 Cb 0.04 0.00 0.58 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.83 -0.47 2.11 7.01 -1.32 0.62 115.95 124.72 3fhq h TRP 303 Ca 0.00 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 3fhq h TRP 303 Cb 0.00 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3fhq h TRP 303 CO 0.00 -0.44 0.26 0.00 -2.79 0.00 0.00 178.44 175.47 3fhq h ALA 304 N 1.97 1.57 0.11 2.65 0.00 -1.74 0.20 119.26 124.01 3fhq h ALA 304 Ca 0.84 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 55.45 3fhq h ALA 304 Cb 2.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3fhq h ALA 304 CO -0.74 0.36 -1.08 0.35 0.00 0.00 0.00 179.25 178.15 3fhq h PHE 305 N 0.65 0.41 0.00 0.00 3.57 -1.35 -3.35 116.94 116.87 3fhq h PHE 305 Ca 0.17 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3fhq h PHE 305 Cb 0.02 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3fhq h PHE 305 CO 0.00 1.42 -0.07 1.96 -2.23 0.00 0.00 178.31 179.40 3fhq h GLN 306 N -0.44 0.00 -0.34 1.11 4.20 -0.57 -2.70 115.11 116.37 3fhq h GLN 306 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3fhq h GLN 306 Cb 1.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.40 3fhq h GLN 306 CO 0.06 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.09 3fhq n SER 307 N -2.69 3.05 -4.58 1.46 3.41 0.03 -4.94 113.62 109.36 3fhq n SER 307 Ca 0.04 -1.94 -0.24 0.00 -0.26 0.00 0.00 58.87 56.48 3fhq n SER 307 Cb 0.49 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.50 4.18 -0.06 4.04 0.01 -1.02 -5.03 113.70 114.32 3fhq s SER 308 Ca 0.37 -0.78 0.13 0.00 1.31 0.00 0.00 55.95 56.98 3fhq s SER 308 Cb 0.21 -0.64 -0.19 0.00 0.21 0.00 0.00 66.02 65.61 3fhq s SER 308 CO 0.30 0.02 0.20 -0.62 0.41 0.00 0.00 173.24 173.55 3fhq n GLU 309 N -0.75 1.03 -4.27 12.44 -0.58 -1.26 -4.96 120.64 122.29 3fhq n GLU 309 Ca -0.06 -0.08 -0.20 0.00 -0.42 0.00 0.00 57.16 56.41 3fhq n GLU 309 Cb 0.59 -1.33 -0.13 0.00 -0.57 0.00 0.00 31.44 30.01 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 -2.69 1.17 0.33 2.62 -4.23 -1.26 -5.03 115.64 106.55 3fhq s THR 310 Ca -0.06 -1.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.36 3fhq s THR 310 Cb 0.07 -1.09 0.32 0.00 1.34 0.00 0.00 72.50 73.14 3fhq s THR 310 CO 0.55 -0.11 1.78 -0.03 -0.54 0.00 0.00 174.62 176.27 3fhq h MET 311 N 4.56 0.62 -0.32 3.99 4.05 -1.96 0.69 114.93 126.57 3fhq h MET 311 Ca -0.40 -0.04 -0.17 0.00 -0.28 0.00 0.00 59.70 58.81 3fhq h MET 311 Cb 1.18 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 3fhq h MET 311 CO 0.42 0.41 -0.49 0.93 0.23 0.00 0.00 176.91 178.41 3fhq h GLU 312 N 0.64 0.87 -0.19 0.39 5.08 -1.98 0.11 114.58 119.50 3fhq h GLU 312 Ca 0.58 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 3fhq h GLU 312 Cb 1.07 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3fhq h GLU 312 CO -0.36 1.16 -0.55 0.00 -1.00 0.00 0.00 179.01 178.25 3fhq h ALA 313 N 0.75 0.67 0.11 3.43 0.00 -1.73 -1.27 119.26 121.22 3fhq h ALA 313 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3fhq h ALA 313 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fhq h ALA 313 CO 0.11 0.69 -0.05 0.35 0.00 0.00 0.00 179.25 180.35 3fhq h PHE 314 N 0.45 -0.13 -0.34 0.00 3.57 -0.74 -1.52 116.94 118.22 3fhq h PHE 314 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3fhq h PHE 314 Cb 1.10 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 3fhq h PHE 314 CO 0.05 -0.07 0.08 1.88 -2.23 0.00 0.00 178.31 178.02 3fhq h TYR 315 N -0.16 0.50 -0.34 0.41 -1.99 -0.72 -1.90 116.97 112.77 3fhq h TYR 315 Ca -0.01 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 3fhq h TYR 315 Cb 0.13 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 3fhq h TYR 315 CO -0.07 0.44 -0.20 1.49 -0.00 0.00 0.00 178.16 179.82 3fhq h GLU 316 N 0.49 0.73 -0.20 4.88 4.81 -1.11 -2.58 114.58 121.61 3fhq h GLU 316 Ca 0.12 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 3fhq h GLU 316 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3fhq h GLU 316 CO -0.00 0.95 -0.22 0.87 -0.73 0.00 0.00 179.01 179.88 3fhq h LYS 317 N 0.51 0.35 -0.56 1.92 1.57 -1.09 -0.82 116.57 118.45 3fhq h LYS 317 Ca 0.07 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3fhq h LYS 317 Cb 0.75 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3fhq h LYS 317 CO 0.06 0.56 -0.00 0.93 -0.57 0.00 0.00 179.45 180.42 3fhq h GLU 318 N 0.32 0.99 0.01 3.15 5.08 -1.30 -1.46 114.58 121.37 3fhq h GLU 318 Ca 0.05 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3fhq h GLU 318 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3fhq h GLU 318 CO 0.04 0.99 -0.01 1.25 -1.00 0.00 0.00 179.01 180.28 3fhq h LEU 319 N 0.87 -0.02 -1.97 1.33 6.46 -1.10 0.17 115.31 121.05 3fhq h LEU 319 Ca 0.16 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3fhq h LEU 319 Cb 0.55 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3fhq h LEU 319 CO 0.03 0.04 -0.05 1.56 -0.62 0.00 0.00 178.44 179.40 3fhq h GLN 320 N -0.07 0.00 0.01 1.25 4.20 -1.08 0.17 115.11 119.60 3fhq h GLN 320 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3fhq h GLN 320 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3fhq h GLN 320 CO 0.00 0.05 -0.57 0.35 -0.67 0.00 0.00 178.83 177.99 3fhq h PHE 321 N 0.00 0.03 0.00 2.96 3.04 -1.00 -2.61 116.94 119.36 3fhq h PHE 321 Ca -0.00 -0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 3fhq h PHE 321 Cb 0.09 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 3fhq h PHE 321 CO 0.00 1.22 -1.05 -1.49 -2.02 0.00 0.00 178.31 174.97 3fhq h TRP 322 N -0.96 0.00 0.00 0.41 4.06 -0.54 -3.26 115.95 115.66 3fhq h TRP 322 Ca -0.15 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.63 3fhq h TRP 322 Cb 1.17 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.29 3fhq h TRP 322 CO 0.20 0.64 -1.62 0.28 -3.56 0.00 0.00 178.44 174.38 3fhq n VAL 323 N -3.09 0.63 0.00 1.49 0.31 0.57 -1.65 118.33 116.59 3fhq n VAL 323 Ca -0.05 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3fhq n VAL 323 Cb 0.83 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 2.62 1.01 0.29 2.92 0.00 -0.92 -4.58 105.19 106.52 3fhq n GLY 324 Ca -0.16 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.09 1.61 0.02 -1.78 -2.85 113.55 110.47 3fhq h SER 325 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 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 0.01 -0.09 0.74 -1.14 0.00 0.00 176.83 176.35 3fhq h THR 326 N 0.00 1.20 -0.25 -2.27 2.02 -1.85 -3.46 112.91 108.29 3fhq h THR 326 Ca -0.00 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 3fhq h THR 326 Cb 0.39 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3fhq h THR 326 CO 0.00 0.27 -0.10 0.61 0.37 0.00 0.00 175.52 176.68 3fhq n GLY 327 N -0.82 0.73 2.65 2.16 0.00 -1.08 -4.99 105.19 103.85 3fhq n GLY 327 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.49 2.20 0.60 1.61 3.84 -1.26 -0.66 114.94 118.78 3fhq s ASN 328 Ca 0.00 -0.61 0.30 0.00 0.21 0.00 0.00 52.86 52.75 3fhq s ASN 328 Cb 0.00 -0.02 1.67 0.00 -0.55 0.00 0.00 41.25 42.35 3fhq s ASN 328 CO 0.00 -0.36 2.08 1.55 -2.79 0.00 0.00 177.10 177.58 3fhq h PRO 329 N 8.38 0.00 0.00 0.43 0.13 -1.79 -1.02 132.00 138.13 3fhq h PRO 329 Ca -0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 3fhq h PRO 329 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3fhq h PRO 329 CO 0.32 0.00 -0.94 0.00 -0.23 0.00 0.00 178.00 177.15 3fhq h ALA 330 N 1.72 0.64 -2.47 -0.56 0.00 -1.92 -3.41 119.26 113.26 3fhq h ALA 330 Ca 0.09 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 54.03 3fhq h ALA 330 Cb 0.55 0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.01 3fhq h ALA 330 CO -0.00 0.40 -0.50 0.39 0.00 0.00 0.00 179.25 179.54 3fhq n GLU 331 N -2.88 2.43 -3.73 0.00 -0.58 -0.38 -4.64 120.64 110.85 3fhq n GLU 331 Ca -0.02 -4.61 -0.34 0.00 -0.42 0.00 0.00 57.16 51.77 3fhq n GLU 331 Cb 0.67 -2.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.16 5.25 -0.66 2.62 -4.23 -1.25 -4.72 115.64 110.48 3fhq s THR 332 Ca 0.35 0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.82 3fhq s THR 332 Cb 0.08 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.47 3fhq s THR 332 CO -0.06 0.26 0.66 -0.62 -0.54 0.00 0.00 174.62 174.33 3fhq s ASP 333 N -1.95 6.39 0.00 3.99 2.15 -1.26 -4.90 116.67 121.08 3fhq s ASP 333 Ca 0.32 -2.00 0.14 0.00 0.43 0.00 0.00 52.55 51.44 3fhq s ASP 333 Cb -0.13 -2.24 0.78 0.00 -0.30 0.00 0.00 42.92 41.03 3fhq s ASP 333 CO 0.19 -0.84 1.35 0.61 -0.17 0.00 0.00 175.17 176.31 3fhq n GLY 334 N 4.88 -0.64 0.01 2.66 0.00 -1.26 -1.51 105.19 109.34 3fhq n GLY 334 Ca -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.17 0.20 -1.83 1.61 6.02 -1.26 -4.92 117.38 116.04 3fhq n GLN 335 Ca 0.08 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.66 3fhq n GLN 335 Cb 0.09 -1.52 0.06 0.00 1.02 0.00 0.00 30.24 29.88 3fhq n GLN 335 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3fhq s SER 336 N -3.52 4.82 0.35 1.08 0.15 -0.57 -4.91 113.70 111.11 3fhq s SER 336 Ca 0.04 2.57 0.08 0.00 0.70 0.00 0.00 55.95 59.33 3fhq s SER 336 Cb 0.15 -2.61 0.79 0.00 -1.71 0.00 0.00 66.02 62.64 3fhq s SER 336 CO 0.86 -1.86 1.89 0.78 1.20 0.00 0.00 173.24 176.11 3fhq h ASN 337 N 0.71 0.67 -3.63 5.45 2.35 -1.92 -3.32 115.58 115.89 3fhq h ASN 337 Ca -0.51 0.03 -0.62 0.00 -0.55 0.00 0.00 56.30 54.66 3fhq h ASN 337 Cb 1.32 -0.11 -0.40 0.00 0.05 0.00 0.00 38.32 39.19 3fhq h ASN 337 CO 0.54 0.37 -0.72 0.86 -1.65 0.00 0.00 177.43 176.83 3fhq s TRP 338 N -5.69 2.19 0.33 1.19 -0.11 -1.26 -4.80 118.94 110.80 3fhq s TRP 338 Ca -0.10 -2.56 0.27 0.00 1.22 0.00 0.00 56.10 54.93 3fhq s TRP 338 Cb 0.21 -2.04 1.32 0.00 -1.50 0.00 0.00 33.47 31.46 3fhq s TRP 338 CO 0.78 -0.77 2.00 -1.35 -4.62 0.00 0.00 176.95 173.00 3fhq h PRO 339 N 6.67 0.00 0.00 5.86 0.11 -1.76 -3.40 132.00 139.48 3fhq h PRO 339 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3fhq h PRO 339 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3fhq h PRO 339 CO 0.52 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 3fhq n GLY 340 N -0.43 0.12 0.21 -0.55 0.00 -1.26 -4.32 105.19 98.95 3fhq n GLY 340 Ca -0.01 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 0.08 0.00 1.61 2.86 -1.39 -1.46 114.93 116.63 3fhq h MET 341 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3fhq h MET 341 Cb 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3fhq h MET 341 CO 0.00 0.36 -0.01 0.00 1.06 0.00 0.00 176.91 178.31 3fhq h ALA 342 N 1.65 1.08 -0.25 6.32 0.00 -1.54 0.16 119.26 126.69 3fhq h ALA 342 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fhq h ALA 342 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fhq h ALA 342 CO 0.04 0.02 0.01 1.25 0.00 0.00 0.00 179.25 180.57 3fhq h HIS 343 N 0.00 0.37 0.00 0.00 6.17 -1.46 -3.32 115.15 116.90 3fhq h HIS 343 Ca -0.00 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 60.99 3fhq h HIS 343 Cb 0.14 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 3fhq h HIS 343 CO 0.00 0.37 -1.45 0.91 0.71 0.00 0.00 177.93 178.46 3fhq n TRP 344 N -4.35 0.00 -4.82 5.26 8.01 -0.21 -3.20 117.44 118.12 3fhq n TRP 344 Ca 0.01 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.87 3fhq n TRP 344 Cb 0.19 -0.28 -0.17 0.00 -2.01 0.00 0.00 31.31 29.04 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 -2.39 2.65 0.41 -5.99 0.08 0.40 -2.08 117.98 111.07 3fhq s PHE 345 Ca -0.03 -1.24 -0.26 0.00 0.12 0.00 0.00 56.93 55.51 3fhq s PHE 345 Cb 0.04 -1.79 -0.10 0.00 -0.57 0.00 0.00 43.02 40.60 3fhq s PHE 345 CO 0.33 -0.55 1.33 -2.30 -0.10 0.00 0.00 175.22 173.93 3fhq n PRO 346 N 3.91 2.09 -2.60 0.24 -0.02 -1.26 -4.48 135.00 132.88 3fhq n PRO 346 Ca -0.20 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 3fhq n PRO 346 Cb 0.52 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.18 3.35 0.15 3.55 0.00 -1.26 -4.72 121.76 121.65 3fhq s ALA 347 Ca 0.59 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.35 3fhq s ALA 347 Cb -0.50 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3fhq s ALA 347 CO 0.59 -0.06 0.04 0.15 0.00 0.00 0.00 175.76 176.49 3fhq s LYS 348 N -0.75 2.60 0.04 0.00 -0.14 -0.05 -0.43 119.74 121.01 3fhq s LYS 348 Ca 0.46 -0.97 0.03 0.00 -1.36 0.00 0.00 55.97 54.13 3fhq s LYS 348 Cb -0.28 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 3fhq s LYS 348 CO 0.35 0.48 -0.10 0.45 -0.76 0.00 0.00 175.35 175.77 3fhq s SER 349 N -2.86 1.18 -0.09 2.83 0.15 0.69 -4.52 113.70 111.08 3fhq s SER 349 Ca 0.28 -0.48 0.14 0.00 0.70 0.00 0.00 55.95 56.59 3fhq s SER 349 Cb -0.10 -0.03 0.43 0.00 -1.71 0.00 0.00 66.02 64.61 3fhq s SER 349 CO 0.20 -0.09 1.35 1.07 1.20 0.00 0.00 173.24 176.97 3fhq n THR 350 N 1.72 1.65 -1.54 6.45 5.66 -1.26 -0.40 114.28 126.55 3fhq n THR 350 Ca -0.20 -1.42 -0.40 0.00 -3.05 0.00 0.00 64.05 58.98 3fhq n THR 350 Cb 0.55 0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.44 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 0.05 6.91 -0.05 1.79 0.00 -1.26 -4.44 120.51 123.51 3fhq n ALA 351 Ca 0.17 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3fhq n ALA 351 Cb 0.67 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.79 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 3.69 0.92 -3.74 0.00 -2.24 -1.26 -1.30 114.28 110.35 3fhq n THR 352 Ca 0.69 -0.93 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 3fhq n THR 352 Cb 0.28 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.92 -0.36 -0.13 3.42 0.15 -1.25 -4.68 113.70 109.93 3fhq s SER 353 Ca 0.00 0.62 -0.09 0.00 0.70 0.00 0.00 55.95 57.18 3fhq s SER 353 Cb 0.00 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 3fhq s SER 353 CO 0.00 -0.22 0.18 -0.69 1.20 0.00 0.00 173.24 173.71 3fhq s VAL 354 N -0.19 5.42 0.34 4.45 1.01 -1.26 -3.08 120.40 127.08 3fhq s VAL 354 Ca -0.04 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 3fhq s VAL 354 Cb -0.03 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3fhq s VAL 354 CO 0.02 0.56 1.04 -2.16 0.00 0.00 0.00 175.10 174.56 3fhq s PRO 355 N -0.61 4.43 -0.22 2.72 0.05 -1.26 -5.10 135.00 135.01 3fhq s PRO 355 Ca 0.15 1.58 -0.07 0.00 0.05 0.00 0.00 61.00 62.71 3fhq s PRO 355 Cb -0.12 -2.85 -0.03 0.00 0.05 0.00 0.00 34.50 31.55 3fhq s PRO 355 CO 0.04 0.08 0.05 0.12 0.05 0.00 0.00 177.00 177.35 3fhq s PHE 356 N -1.45 3.12 -0.02 0.56 5.36 0.20 -4.99 117.98 120.76 3fhq s PHE 356 Ca 0.51 -0.27 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 3fhq s PHE 356 Cb -0.25 -2.16 0.01 0.00 -0.34 0.00 0.00 43.02 40.27 3fhq s PHE 356 CO 0.32 -0.18 -0.06 0.08 -1.46 0.00 0.00 175.22 173.91 3fhq s VAL 357 N 1.13 0.58 -0.02 3.12 1.01 -1.26 -0.95 120.40 124.00 3fhq s VAL 357 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3fhq s VAL 357 Cb -0.14 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3fhq s VAL 357 CO 0.03 0.19 0.10 0.28 0.00 0.00 0.00 175.10 175.70 3fhq s THR 358 N 0.25 0.03 -0.42 3.92 -1.32 -0.41 -4.77 115.64 112.93 3fhq s THR 358 Ca -0.03 -0.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 3fhq s THR 358 Cb -0.08 -0.25 0.16 0.00 -1.51 0.00 0.00 72.50 70.83 3fhq s THR 358 CO 0.00 -0.15 1.13 1.41 -2.21 0.00 0.00 174.62 174.79 3fhq n HIS 359 N 2.46 0.23 -3.41 9.09 8.25 -1.26 -1.20 115.22 129.38 3fhq n HIS 359 Ca -0.16 -0.52 -0.25 0.00 -0.26 0.00 0.00 57.72 56.53 3fhq n HIS 359 Cb 0.58 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.08 -2.12 -2.27 4.41 3.72 -1.26 -4.57 117.46 115.29 3fhq n PHE 360 Ca 0.06 0.66 -0.43 0.00 -0.05 0.00 0.00 57.45 57.70 3fhq n PHE 360 Cb 0.36 -4.01 -0.02 0.00 -0.94 0.00 0.00 39.48 34.86 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 -2.93 6.68 0.00 4.37 3.84 -1.26 -4.27 114.94 121.36 3fhq s ASN 361 Ca 0.46 1.65 0.28 0.00 0.21 0.00 0.00 52.86 55.46 3fhq s ASN 361 Cb -0.22 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 38.98 3fhq s ASN 361 CO 0.56 -1.00 1.77 0.35 -2.79 0.00 0.00 177.10 175.99 3fhq n THR 362 N 5.87 0.00 0.00 -5.21 -2.24 -1.26 -0.93 114.28 110.52 3fhq n THR 362 Ca 0.16 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3fhq n THR 362 Cb 0.45 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.42 2.51 3.36 3.38 0.00 -1.26 -4.80 105.19 109.79 3fhq n GLY 363 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.63 0.12 0.13 1.61 1.04 -1.26 0.15 113.70 113.84 3fhq s SER 364 Ca 0.00 -1.23 -0.25 0.00 0.48 0.00 0.00 55.95 54.95 3fhq s SER 364 Cb 0.00 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.66 3fhq s SER 364 CO 0.00 -0.97 0.88 -0.83 0.98 0.00 0.00 173.24 173.30 3fhq s GLY 365 N -3.11 -0.31 0.00 7.32 0.00 0.33 -4.60 107.32 106.95 3fhq s GLY 365 Ca 0.33 0.35 0.27 0.00 0.00 0.00 0.00 44.72 45.67 3fhq s GLY 365 CO 0.12 0.10 1.66 0.00 0.00 0.00 0.00 173.10 174.97 3fhq n ALA 366 N -0.40 2.61 -3.57 3.20 0.00 -1.26 -1.25 120.51 119.83 3fhq n ALA 366 Ca -0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.82 3fhq n ALA 366 Cb 0.61 -1.11 -0.02 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 -2.04 0.84 -0.06 0.00 -0.44 -1.23 -3.82 119.66 112.91 3fhq s GLN 367 Ca 0.35 -0.36 0.01 0.00 -2.50 0.00 0.00 55.36 52.86 3fhq s GLN 367 Cb 0.21 0.35 0.02 0.00 -1.64 0.00 0.00 33.01 31.95 3fhq s GLN 367 CO 0.35 -0.38 -0.06 0.12 0.50 0.00 0.00 175.29 175.82 3fhq s PHE 368 N -3.07 1.02 0.06 1.67 2.19 -0.42 -4.21 117.98 115.23 3fhq s PHE 368 Ca 0.07 -0.36 0.04 0.00 0.33 0.00 0.00 56.93 57.02 3fhq s PHE 368 Cb -0.01 -0.86 -0.04 0.00 -1.31 0.00 0.00 43.02 40.80 3fhq s PHE 368 CO -0.06 -0.27 -0.03 -1.12 1.83 0.00 0.00 175.22 175.57 3fhq s SER 369 N 1.06 4.85 -0.08 6.13 0.01 0.15 -0.08 113.70 125.74 3fhq s SER 369 Ca -0.08 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3fhq s SER 369 Cb -0.14 -1.13 0.01 0.00 0.21 0.00 0.00 66.02 64.97 3fhq s SER 369 CO -0.01 0.21 -0.13 0.00 0.41 0.00 0.00 173.24 173.73 3fhq s ALA 370 N -1.20 1.42 -1.75 1.44 0.00 -0.05 -1.17 121.76 120.44 3fhq s ALA 370 Ca 0.22 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 3fhq s ALA 370 Cb -0.11 -0.69 0.18 0.00 0.00 0.00 0.00 23.12 22.50 3fhq s ALA 370 CO 0.14 0.00 0.74 0.39 0.00 0.00 0.00 175.76 177.04 3fhq n GLU 371 N 4.05 -2.55 -0.45 0.00 1.02 -0.50 -1.27 120.64 120.94 3fhq n GLU 371 Ca -0.20 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3fhq n GLU 371 Cb 0.51 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 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 -1.31 1.40 3.54 0.62 0.00 -0.56 -4.50 105.19 104.38 3fhq n GLY 372 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.26 3.65 0.12 1.61 1.02 -0.40 -4.91 119.74 120.56 3fhq s LYS 373 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 3fhq s LYS 373 Cb 0.00 -2.95 -0.11 0.00 -0.52 0.00 0.00 37.83 34.25 3fhq s LYS 373 CO 0.00 0.30 1.81 2.41 -0.92 0.00 0.00 175.35 178.95 3fhq n THR 374 N 3.38 0.32 0.07 2.17 -1.04 -1.26 -0.87 114.28 117.05 3fhq n THR 374 Ca -0.17 -0.06 0.01 0.00 -2.04 0.00 0.00 64.05 61.79 3fhq n THR 374 Cb 0.53 -2.04 0.01 0.00 -1.82 0.00 0.00 70.33 67.00 3fhq n THR 374 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3fhq n VAL 375 N 4.57 0.08 -3.63 12.58 0.24 0.89 -4.89 118.33 128.17 3fhq n VAL 375 Ca 0.18 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3fhq n VAL 375 Cb 0.36 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.23 -0.78 0.00 -1.34 0.15 -1.12 0.01 113.70 110.40 3fhq s SER 376 Ca 0.02 1.42 0.24 0.00 0.70 0.00 0.00 55.95 58.34 3fhq s SER 376 Cb 0.02 1.41 0.57 0.00 -1.71 0.00 0.00 66.02 66.30 3fhq s SER 376 CO 0.02 -0.24 1.47 -0.62 1.20 0.00 0.00 173.24 175.07 3fhq n GLU 377 N 3.13 2.09 -2.93 5.44 -0.58 -1.26 -1.30 120.64 125.23 3fhq n GLU 377 Ca -0.16 -1.62 -0.37 0.00 -0.42 0.00 0.00 57.16 54.59 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 -1.82 4.48 0.60 3.49 -1.52 -1.26 -4.51 119.66 119.12 3fhq s GLN 378 Ca 0.34 1.14 -0.19 0.00 -1.95 0.00 0.00 55.36 54.71 3fhq s GLN 378 Cb 0.20 -2.94 -0.05 0.00 -0.22 0.00 0.00 33.01 30.00 3fhq s GLN 378 CO 0.30 0.39 1.01 0.39 -0.25 0.00 0.00 175.29 177.13 3fhq n GLU 379 N 0.86 0.95 -3.62 2.91 1.02 -1.25 -3.52 120.64 118.00 3fhq n GLU 379 Ca -0.01 0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 57.34 3fhq n GLU 379 Cb 0.50 -2.21 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 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 -1.49 -0.51 0.05 -0.32 1.48 -0.38 -3.98 118.94 113.79 3fhq s TRP 380 Ca 0.76 0.93 0.05 0.00 -1.06 0.00 0.00 56.10 56.78 3fhq s TRP 380 Cb -0.42 0.29 -0.02 0.00 -1.16 0.00 0.00 33.47 32.16 3fhq s TRP 380 CO 0.47 -0.50 -0.15 0.54 -4.06 0.00 0.00 176.95 173.24 3fhq s ASN 381 N -1.02 1.83 -0.38 -2.66 2.20 0.62 -0.51 114.94 115.02 3fhq s ASN 381 Ca -0.10 -0.52 0.02 0.00 -0.94 0.00 0.00 52.86 51.32 3fhq s ASN 381 Cb -0.02 -0.11 0.18 0.00 -2.00 0.00 0.00 41.25 39.30 3fhq s ASN 381 CO 0.07 0.03 0.77 0.21 -2.94 0.00 0.00 177.10 175.24 3fhq s ASN 382 N -1.33 -1.13 0.00 3.54 3.84 0.12 -2.20 114.94 117.77 3fhq s ASN 382 Ca 0.02 -0.53 0.12 0.00 0.21 0.00 0.00 52.86 52.68 3fhq s ASN 382 Cb -0.09 1.46 0.59 0.00 -0.55 0.00 0.00 41.25 42.66 3fhq s ASN 382 CO 0.02 -0.13 1.31 0.54 -2.79 0.00 0.00 177.10 176.05 3fhq n ARG 383 N 4.23 0.14 0.30 0.43 1.74 -1.25 -0.82 116.66 121.44 3fhq n ARG 383 Ca 0.09 0.19 0.19 0.00 -0.77 0.00 0.00 57.85 57.56 3fhq n ARG 383 Cb 0.59 -1.50 0.92 0.00 -1.02 0.00 0.00 32.46 31.45 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 -0.12 0.55 0.02 -1.87 -2.62 113.55 109.50 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 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 -3.02 3.02 -4.69 5.07 4.77 0.00 -4.84 117.00 117.30 3fhq n LEU 385 Ca -0.01 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 3fhq n LEU 385 Cb 0.19 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3fhq n LEU 385 CO 0.23 0.55 1.32 -1.58 -1.33 0.00 0.00 177.39 176.58 3fhq s GLN 386 N -1.75 4.20 0.76 3.23 0.74 -0.99 -4.64 119.66 121.22 3fhq s GLN 386 Ca 0.29 2.34 -0.12 0.00 0.05 0.00 0.00 55.36 57.93 3fhq s GLN 386 Cb 0.20 -3.53 0.05 0.00 1.10 0.00 0.00 33.01 30.83 3fhq s GLN 386 CO 0.29 -0.72 1.11 -0.51 -0.55 0.00 0.00 175.29 174.91 3fhq s ASP 387 N 2.21 4.92 -0.14 6.67 1.01 -0.10 -4.91 116.67 126.32 3fhq s ASP 387 Ca 0.73 1.16 -0.29 0.00 0.71 0.00 0.00 52.55 54.86 3fhq s ASP 387 Cb -0.41 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3fhq s ASP 387 CO 0.32 -1.68 1.70 -0.69 0.21 0.00 0.00 175.17 175.03 3fhq s VAL 388 N -3.30 3.56 0.40 -1.27 1.01 -1.26 -4.88 120.40 114.66 3fhq s VAL 388 Ca 0.60 0.65 0.05 0.00 0.00 0.00 0.00 61.98 63.28 3fhq s VAL 388 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3fhq s VAL 388 CO 0.52 -0.17 0.56 -0.76 0.00 0.00 0.00 175.10 175.26 3fhq s LEU 389 N 4.98 3.76 -0.05 3.92 1.43 -1.26 -4.86 118.68 126.60 3fhq s LEU 389 Ca 0.75 -0.15 -0.37 0.00 -1.03 0.00 0.00 54.13 53.34 3fhq s LEU 389 Cb -0.30 -2.81 -0.15 0.00 0.03 0.00 0.00 46.19 42.97 3fhq s LEU 389 CO 0.30 -0.64 1.64 -2.65 0.23 0.00 0.00 176.35 175.23 3fhq n PRO 390 N -1.84 1.58 -0.32 1.29 -0.02 -1.26 -4.85 135.00 129.57 3fhq n PRO 390 Ca 0.03 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.28 3fhq n PRO 390 Cb 0.58 -2.30 0.38 0.00 -0.02 0.00 0.00 33.50 32.14 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 4.47 0.17 -3.37 3.45 2.02 -1.61 -3.40 112.91 114.63 3fhq h THR 391 Ca -0.47 -0.04 -0.65 0.00 0.77 0.00 0.00 66.41 66.02 3fhq h THR 391 Cb 1.30 0.03 -0.22 0.00 -1.74 0.00 0.00 68.15 67.51 3fhq h THR 391 CO 0.89 0.02 -0.70 0.26 0.37 0.00 0.00 175.52 176.37 3fhq s TRP 392 N -5.82 2.95 -0.40 3.16 0.51 -1.05 -4.95 118.94 113.34 3fhq s TRP 392 Ca -0.11 -0.33 0.01 0.00 -2.12 0.00 0.00 56.10 53.55 3fhq s TRP 392 Cb 0.29 -1.88 0.14 0.00 -0.81 0.00 0.00 33.47 31.21 3fhq s TRP 392 CO 0.78 -0.01 0.23 1.03 -0.51 0.00 0.00 176.95 178.46 3fhq s ARG 393 N 0.14 0.96 0.02 4.98 1.81 -1.26 -4.39 118.95 121.21 3fhq s ARG 393 Ca -0.03 -1.71 0.00 0.00 -1.72 0.00 0.00 55.73 52.27 3fhq s ARG 393 Cb -0.14 -1.87 -0.02 0.00 -0.45 0.00 0.00 34.95 32.47 3fhq s ARG 393 CO 0.03 -1.19 -0.03 -1.58 -0.68 0.00 0.00 175.30 171.85 3fhq s TRP 394 N 0.66 0.30 -0.31 -0.53 0.52 0.17 -4.23 118.94 115.52 3fhq s TRP 394 Ca 0.18 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.86 3fhq s TRP 394 Cb -0.23 -0.20 0.07 0.00 -1.15 0.00 0.00 33.47 31.96 3fhq s TRP 394 CO 0.00 -0.15 0.01 0.42 0.02 0.00 0.00 176.95 177.26 3fhq s ILE 395 N -1.24 2.61 0.27 2.03 1.01 -1.26 -4.32 121.20 120.30 3fhq s ILE 395 Ca -0.13 -1.81 0.10 0.00 0.00 0.00 0.00 60.65 58.81 3fhq s ILE 395 Cb -0.09 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 3fhq s ILE 395 CO -0.01 -0.30 -0.14 -1.10 0.00 0.00 0.00 174.94 173.39 3fhq s GLN 396 N 1.10 1.60 -0.05 2.79 -0.21 -1.26 -1.33 119.66 122.30 3fhq s GLN 396 Ca -0.00 -1.76 0.01 0.00 0.02 0.00 0.00 55.36 53.63 3fhq s GLN 396 Cb -0.20 -1.49 0.02 0.00 1.00 0.00 0.00 33.01 32.34 3fhq s GLN 396 CO -0.04 0.21 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.26 3fhq s HIS 397 N -2.73 0.96 0.09 0.91 3.76 0.10 -4.97 115.29 113.41 3fhq s HIS 397 Ca 0.28 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3fhq s HIS 397 Cb -0.01 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3fhq s HIS 397 CO 0.13 -0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 3fhq n GLY 398 N 4.06 -2.49 0.64 -2.22 0.00 -1.26 -1.32 105.19 102.59 3fhq n GLY 398 Ca -0.23 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.52 -1.98 2.57 -0.02 0.00 -1.26 -4.62 105.19 97.37 3fhq n GLY 399 Ca -0.01 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.96 4.03 -4.61 1.61 2.03 -0.22 -5.05 116.55 111.38 3fhq n ASP 400 Ca -0.01 -3.41 -0.26 0.00 0.52 0.00 0.00 54.79 51.64 3fhq n ASP 400 Cb 0.30 -0.77 -0.08 0.00 -0.72 0.00 0.00 41.12 39.84 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 -2.36 3.09 0.05 -2.67 1.02 -1.26 -1.79 118.68 114.76 3fhq s LEU 401 Ca 0.37 -0.58 0.07 0.00 0.02 0.00 0.00 54.13 54.01 3fhq s LEU 401 Cb 0.11 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 3fhq s LEU 401 CO -0.02 0.07 -0.19 -0.70 0.02 0.00 0.00 176.35 175.53 3fhq s GLU 402 N -3.11 1.20 -0.04 1.70 2.12 0.52 -4.95 118.70 116.14 3fhq s GLU 402 Ca 0.27 -0.94 0.06 0.00 0.36 0.00 0.00 54.97 54.72 3fhq s GLU 402 Cb -0.08 -1.32 -0.01 0.00 0.26 0.00 0.00 34.13 32.98 3fhq s GLU 402 CO 0.17 0.33 -0.21 0.00 -0.54 0.00 0.00 175.26 175.00 3fhq s ALA 403 N -0.90 1.84 0.31 6.30 0.00 -1.26 -1.30 121.76 126.75 3fhq s ALA 403 Ca 0.05 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 3fhq s ALA 403 Cb -0.09 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.53 3fhq s ALA 403 CO 0.02 0.39 0.73 -0.08 0.00 0.00 0.00 175.76 176.83 3fhq s THR 404 N -0.26 0.00 0.21 0.00 -1.32 -0.57 -5.00 115.64 108.70 3fhq s THR 404 Ca 0.02 -1.01 -0.20 0.00 -1.21 0.00 0.00 61.69 59.28 3fhq s THR 404 Cb -0.11 -2.26 -0.08 0.00 -1.51 0.00 0.00 72.50 68.54 3fhq s THR 404 CO 0.01 0.00 0.73 -0.36 -2.21 0.00 0.00 174.62 172.79 3fhq s PHE 405 N -3.45 3.68 -0.03 9.09 0.08 -1.26 -0.12 117.98 125.96 3fhq s PHE 405 Ca 0.13 1.42 0.06 0.00 0.12 0.00 0.00 56.93 58.66 3fhq s PHE 405 Cb -0.06 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3fhq s PHE 405 CO 0.08 0.36 -0.22 0.45 -0.10 0.00 0.00 175.22 175.80 3fhq s SER 406 N -1.59 3.42 -0.05 1.36 0.15 -0.20 -4.80 113.70 111.99 3fhq s SER 406 Ca 0.42 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 56.83 3fhq s SER 406 Cb -0.17 -0.54 0.37 0.00 -1.71 0.00 0.00 66.02 63.97 3fhq s SER 406 CO 0.21 0.33 1.31 0.79 1.20 0.00 0.00 173.24 177.08 3fhq n TRP 407 N 2.40 0.61 0.01 3.44 8.01 -1.26 -0.99 117.44 129.65 3fhq n TRP 407 Ca -0.16 -0.61 -0.05 0.00 -1.31 0.00 0.00 57.50 55.36 3fhq n TRP 407 Cb 0.51 -0.11 -0.12 0.00 -2.01 0.00 0.00 31.31 29.59 3fhq n TRP 407 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 3fhq h GLU 408 N 1.97 0.00 -4.97 -0.99 4.39 -1.95 -3.42 114.58 109.62 3fhq h GLU 408 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3fhq h GLU 408 Cb 0.95 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.30 3fhq h GLU 408 CO 0.07 0.45 -0.80 -1.21 -1.16 0.00 0.00 179.01 176.36 3fhq s GLU 409 N -2.72 1.14 -0.08 2.33 0.41 -1.26 -5.10 118.70 113.42 3fhq s GLU 409 Ca -0.03 -0.43 -0.20 0.00 -0.41 0.00 0.00 54.97 53.90 3fhq s GLU 409 Cb 0.08 -1.06 0.04 0.00 -1.78 0.00 0.00 34.13 31.42 3fhq s GLU 409 CO 0.82 0.21 0.47 0.00 -0.49 0.00 0.00 175.26 176.27 3fhq s ALA 410 N -0.05 -1.20 -0.22 5.21 0.00 -1.26 -2.19 121.76 122.05 3fhq s ALA 410 Ca 0.00 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 3fhq s ALA 410 Cb -0.07 -0.21 -0.13 0.00 0.00 0.00 0.00 23.12 22.70 3fhq s ALA 410 CO 0.00 -0.28 -0.21 0.34 0.00 0.00 0.00 175.76 175.61 3fhq n PHE 411 N 1.63 0.00 -3.70 0.00 -0.00 -1.26 -4.23 117.46 109.90 3fhq n PHE 411 Ca -0.18 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.04 3fhq n PHE 411 Cb 0.56 -0.82 -0.18 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 -2.43 0.20 1.14 -4.13 0.41 -1.26 -1.41 118.70 111.22 3fhq s GLU 412 Ca -0.29 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 3fhq s GLU 412 Cb 0.08 -0.96 0.00 0.00 -1.78 0.00 0.00 34.13 31.47 3fhq s GLU 412 CO 0.48 -0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 3fhq n GLY 413 N 5.23 0.89 0.00 -1.39 0.00 -0.31 -4.69 105.19 104.92 3fhq n GLY 413 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.21 3.24 -0.02 0.00 -1.26 0.33 105.19 107.27 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 -0.24 0.13 0.26 1.61 1.04 -1.26 -4.54 113.70 110.69 3fhq s SER 415 Ca 0.00 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.64 3fhq s SER 415 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3fhq s SER 415 CO 0.00 -0.78 0.14 -0.94 0.98 0.00 0.00 173.24 172.64 3fhq s SER 416 N -2.92 0.96 -0.28 7.02 1.04 -0.17 -4.50 113.70 114.85 3fhq s SER 416 Ca 0.11 -1.46 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 3fhq s SER 416 Cb 0.05 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3fhq s SER 416 CO -0.06 -0.83 0.40 -0.22 0.98 0.00 0.00 173.24 173.51 3fhq s LEU 417 N -3.28 4.11 -0.19 2.42 2.96 -0.38 -1.03 118.68 123.29 3fhq s LEU 417 Ca 0.38 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.40 3fhq s LEU 417 Cb 0.06 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 3fhq s LEU 417 CO 0.15 -0.24 0.20 -1.58 -1.32 0.00 0.00 176.35 173.56 3fhq s GLN 418 N 2.13 4.21 -0.21 1.98 0.74 0.82 -0.93 119.66 128.39 3fhq s GLN 418 Ca 0.16 -0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.46 3fhq s GLN 418 Cb -0.16 -3.44 0.06 0.00 1.10 0.00 0.00 33.01 30.58 3fhq s GLN 418 CO 0.10 0.24 0.02 -0.46 -0.55 0.00 0.00 175.29 174.64 3fhq s TRP 419 N 0.51 1.41 0.04 1.67 -0.00 -0.42 -1.52 118.94 120.63 3fhq s TRP 419 Ca 0.12 -1.13 -0.18 0.00 -0.00 0.00 0.00 56.10 54.90 3fhq s TRP 419 Cb -0.12 -1.20 0.04 0.00 -0.00 0.00 0.00 33.47 32.18 3fhq s TRP 419 CO 0.01 -0.67 0.41 -3.38 -0.00 0.00 0.00 176.95 173.32 3fhq s HIS 420 N 1.73 -0.26 -3.60 5.86 -3.43 -0.42 0.32 115.29 115.48 3fhq s HIS 420 Ca -0.02 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 3fhq s HIS 420 Cb -0.18 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3fhq s HIS 420 CO -0.08 -0.57 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 3fhq n GLY 421 N 0.52 0.53 3.69 -1.38 0.00 0.37 -0.35 105.19 108.57 3fhq n GLY 421 Ca -0.19 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 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 5.97 -0.19 1.61 0.01 -0.74 -0.82 113.70 115.54 3fhq s SER 422 Ca 0.00 0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.39 3fhq s SER 422 Cb 0.00 -2.04 0.07 0.00 0.21 0.00 0.00 66.02 64.26 3fhq s SER 422 CO 0.00 0.18 0.11 -0.22 0.41 0.00 0.00 173.24 173.72 3fhq s LEU 423 N 0.33 0.34 0.65 2.44 2.96 0.26 -1.06 118.68 124.60 3fhq s LEU 423 Ca 0.06 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.12 3fhq s LEU 423 Cb -0.12 -0.21 -0.00 0.00 0.50 0.00 0.00 46.19 46.36 3fhq s LEU 423 CO -0.01 -0.36 1.16 0.00 -1.32 0.00 0.00 176.35 175.82 3fhq s ALA 424 N 2.15 2.40 0.18 5.97 0.00 -1.26 -3.77 121.76 127.42 3fhq s ALA 424 Ca 0.03 0.79 -0.33 0.00 0.00 0.00 0.00 51.96 52.45 3fhq s ALA 424 Cb -0.16 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3fhq s ALA 424 CO -0.14 -1.38 1.51 -1.91 0.00 0.00 0.00 175.76 173.84 3fhq n GLU 425 N -2.19 2.04 -0.08 0.00 2.13 -1.20 -0.99 120.64 120.36 3fhq n GLU 425 Ca 0.12 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3fhq n GLU 425 Cb 0.51 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 2.98 2.42 3.79 8.31 0.00 -0.69 -4.92 105.19 117.09 3fhq n GLY 426 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.14 4.16 -0.02 1.61 2.12 -0.16 -4.80 118.70 121.46 3fhq s GLU 427 Ca 0.00 1.36 0.05 0.00 0.36 0.00 0.00 54.97 56.74 3fhq s GLU 427 Cb 0.00 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 3fhq s GLU 427 CO 0.00 -0.12 -0.16 -1.01 -0.54 0.00 0.00 175.26 173.43 3fhq s HIS 428 N -1.85 2.64 -0.00 5.30 3.76 -1.26 -1.04 115.29 122.83 3fhq s HIS 428 Ca 0.60 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 3fhq s HIS 428 Cb -0.17 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 3fhq s HIS 428 CO 0.22 0.19 -0.06 0.00 -0.85 0.00 0.00 174.74 174.24 3fhq s ALA 429 N -0.78 0.48 0.09 -1.40 0.00 -0.51 -4.19 121.76 115.45 3fhq s ALA 429 Ca 0.12 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.89 3fhq s ALA 429 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3fhq s ALA 429 CO 0.02 0.11 -0.19 -0.65 0.00 0.00 0.00 175.76 175.05 3fhq s GLN 430 N -0.18 1.04 -0.13 0.00 1.11 -0.44 -1.12 119.66 119.95 3fhq s GLN 430 Ca 0.02 -1.10 -0.01 0.00 0.01 0.00 0.00 55.36 54.28 3fhq s GLN 430 Cb -0.02 -1.23 0.04 0.00 -1.01 0.00 0.00 33.01 30.78 3fhq s GLN 430 CO -0.00 0.28 -0.02 -1.50 0.01 0.00 0.00 175.29 174.06 3fhq s ILE 431 N -1.19 0.73 -0.22 1.08 2.07 -0.11 -0.72 121.20 122.84 3fhq s ILE 431 Ca 0.04 -0.30 -0.21 0.00 -1.41 0.00 0.00 60.65 58.78 3fhq s ILE 431 Cb -0.10 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 3fhq s ILE 431 CO 0.04 0.15 0.63 -1.61 -1.91 0.00 0.00 174.94 172.24 3fhq s GLU 432 N 1.81 4.18 -0.16 3.50 2.02 -0.44 -1.00 118.70 128.61 3fhq s GLU 432 Ca 0.03 0.59 -0.06 0.00 0.02 0.00 0.00 54.97 55.55 3fhq s GLU 432 Cb -0.14 -3.60 -0.07 0.00 0.10 0.00 0.00 34.13 30.41 3fhq s GLU 432 CO -0.07 -0.30 -0.19 1.28 0.02 0.00 0.00 175.26 176.00 3fhq n LEU 433 N 5.27 1.49 -4.11 1.80 4.77 -0.17 -4.26 117.00 121.79 3fhq n LEU 433 Ca -0.01 0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.83 3fhq n LEU 433 Cb 0.49 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 3fhq n LEU 433 CO 0.44 0.41 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.09 3fhq s TYR 434 N -2.29 1.84 0.06 -1.77 1.51 -0.63 -1.43 117.35 114.64 3fhq s TYR 434 Ca -0.21 -0.66 -0.30 0.00 -1.01 0.00 0.00 57.07 54.88 3fhq s TYR 434 Cb 0.08 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 3fhq s TYR 434 CO 0.29 -0.28 0.98 -1.14 -1.11 0.00 0.00 175.55 174.28 3fhq s GLN 435 N 0.38 4.63 0.28 -0.62 2.00 -1.26 -1.29 119.66 123.78 3fhq s GLN 435 Ca -0.12 1.44 0.01 0.00 -2.00 0.00 0.00 55.36 54.69 3fhq s GLN 435 Cb -0.15 -3.42 -0.03 0.00 0.80 0.00 0.00 33.01 30.22 3fhq s GLN 435 CO 0.05 0.08 0.28 0.95 -0.50 0.00 0.00 175.29 176.15 3fhq s THR 436 N 0.51 0.00 -0.48 -0.34 -4.23 -0.29 -4.61 115.64 106.21 3fhq s THR 436 Ca 0.50 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 3fhq s THR 436 Cb -0.22 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.30 3fhq s THR 436 CO 0.29 0.00 0.60 -0.70 -0.54 0.00 0.00 174.62 174.27 3fhq s GLU 437 N -3.67 1.01 -0.27 3.99 2.12 -0.42 -4.13 118.70 117.33 3fhq s GLU 437 Ca 0.36 -1.37 0.01 0.00 0.36 0.00 0.00 54.97 54.33 3fhq s GLU 437 Cb 0.03 -0.49 0.05 0.00 0.26 0.00 0.00 34.13 33.98 3fhq s GLU 437 CO 0.19 -1.34 -0.08 -0.51 -0.54 0.00 0.00 175.26 172.97 3fhq s LEU 438 N 0.65 3.49 -0.03 2.70 1.43 -0.20 -3.82 118.68 122.89 3fhq s LEU 438 Ca 0.30 -1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 3fhq s LEU 438 Cb 0.01 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 3fhq s LEU 438 CO -0.10 -0.20 1.64 -2.84 0.23 0.00 0.00 176.35 175.09 3fhq s PRO 439 N 1.16 4.19 -0.02 1.29 0.02 -1.26 -0.84 135.00 139.54 3fhq s PRO 439 Ca -0.07 2.20 -0.24 0.00 0.02 0.00 0.00 61.00 62.91 3fhq s PRO 439 Cb -0.19 -3.91 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 3fhq s PRO 439 CO -0.04 -0.82 0.73 0.42 -0.33 0.00 0.00 177.00 176.96 3fhq s ILE 440 N 3.76 4.93 0.23 2.83 1.01 0.37 -4.90 121.20 129.41 3fhq s ILE 440 Ca 0.73 1.52 0.02 0.00 0.00 0.00 0.00 60.65 62.93 3fhq s ILE 440 Cb -0.34 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 3fhq s ILE 440 CO 0.30 0.30 0.03 -0.94 0.00 0.00 0.00 174.94 174.62 3fhq s SER 441 N 0.46 1.51 0.39 3.58 1.04 -1.26 -0.37 113.70 119.04 3fhq s SER 441 Ca 0.38 -1.26 -0.27 0.00 0.48 0.00 0.00 55.95 55.28 3fhq s SER 441 Cb -0.19 0.08 -0.11 0.00 0.10 0.00 0.00 66.02 65.90 3fhq s SER 441 CO 0.20 -0.59 1.38 -0.62 0.98 0.00 0.00 173.24 174.59 3fhq n GLU 442 N -0.39 2.31 -0.07 4.02 1.02 -1.26 -1.60 120.64 124.67 3fhq n GLU 442 Ca -0.04 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3fhq n GLU 442 Cb 0.64 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.63 1.14 3.67 0.62 0.00 -1.26 -5.04 105.19 104.95 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 -2.49 4.94 0.15 2.61 2.01 -0.63 -4.92 115.64 117.32 3fhq s THR 444 Ca 0.00 1.43 0.11 0.00 0.31 0.00 0.00 61.69 63.54 3fhq s THR 444 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3fhq s THR 444 CO 0.00 0.07 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.32 3fhq s SER 445 N 1.17 3.49 -0.32 3.53 0.01 0.59 -1.88 113.70 120.30 3fhq s SER 445 Ca 0.34 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.68 3fhq s SER 445 Cb -0.16 -0.31 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 3fhq s SER 445 CO 0.11 0.16 0.46 -0.76 0.41 0.00 0.00 173.24 173.62 3fhq s LEU 446 N -2.32 4.25 0.13 2.44 1.43 0.35 -1.39 118.68 123.57 3fhq s LEU 446 Ca 0.17 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 3fhq s LEU 446 Cb -0.09 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3fhq s LEU 446 CO 0.08 -0.37 -0.12 0.42 0.23 0.00 0.00 176.35 176.60 3fhq s THR 447 N 2.25 3.19 0.07 5.49 -4.23 -0.10 0.33 115.64 122.65 3fhq s THR 447 Ca 0.17 -1.44 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 3fhq s THR 447 Cb -0.16 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.22 3fhq s THR 447 CO 0.12 0.04 0.46 -1.66 -0.54 0.00 0.00 174.62 173.04 3fhq s TRP 448 N -1.34 -0.32 -0.03 3.99 -2.14 -0.82 -1.02 118.94 117.26 3fhq s TRP 448 Ca 0.22 0.25 -0.01 0.00 2.66 0.00 0.00 56.10 59.22 3fhq s TRP 448 Cb -0.10 0.29 0.03 0.00 -3.10 0.00 0.00 33.47 30.59 3fhq s TRP 448 CO 0.13 -0.64 0.03 0.99 -2.66 0.00 0.00 176.95 174.80 3fhq s THR 449 N -2.81 0.02 0.11 0.66 2.01 -0.12 -1.01 115.64 114.50 3fhq s THR 449 Ca -0.03 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 3fhq s THR 449 Cb -0.00 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.34 3fhq s THR 449 CO -0.05 0.15 0.29 0.72 -0.69 0.00 0.00 174.62 175.04 3fhq s PHE 450 N 1.48 0.00 0.05 4.92 -0.71 -0.46 0.06 117.98 123.32 3fhq s PHE 450 Ca -0.04 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.52 3fhq s PHE 450 Cb -0.13 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 3fhq s PHE 450 CO -0.03 -0.63 -0.04 0.15 -1.34 0.00 0.00 175.22 173.33 3fhq s LYS 451 N -3.84 2.50 -0.18 1.99 1.02 0.49 -0.45 119.74 121.27 3fhq s LYS 451 Ca 0.05 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.22 3fhq s LYS 451 Cb 0.03 -2.50 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 3fhq s LYS 451 CO -0.11 0.56 -0.01 0.45 -0.92 0.00 0.00 175.35 175.32 3fhq s SER 452 N -1.91 2.87 0.59 2.83 0.15 -1.26 -1.78 113.70 115.19 3fhq s SER 452 Ca 0.21 -0.73 0.36 0.00 0.70 0.00 0.00 55.95 56.50 3fhq s SER 452 Cb -0.11 -0.79 1.79 0.00 -1.71 0.00 0.00 66.02 65.20 3fhq s SER 452 CO 0.13 -0.24 2.15 -0.33 1.20 0.00 0.00 173.24 176.16 3fhq h GLU 453 N 8.16 0.00 0.00 5.44 4.39 -1.59 -2.86 114.58 128.13 3fhq h GLU 453 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3fhq h GLU 453 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3fhq h GLU 453 CO 0.36 0.03 -0.02 0.72 -1.16 0.00 0.00 179.01 178.94 3fhq n HIS 454 N -3.21 0.00 0.00 4.33 8.25 -1.26 -4.99 115.22 118.33 3fhq n HIS 454 Ca -0.01 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 3fhq n HIS 454 Cb 0.20 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.89 0.00 -4.49 0.41 8.00 -1.08 -4.96 116.55 113.54 3fhq n ASP 455 Ca 0.07 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 3fhq n ASP 455 Cb 0.45 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.54 -4.89 -2.24 4.13 -1.26 -4.96 115.26 105.50 3fhq n ASN 456 Ca 0.00 0.86 -0.29 0.00 1.68 0.00 0.00 54.58 56.83 3fhq n ASN 456 Cb 0.00 -1.18 -0.01 0.00 -1.54 0.00 0.00 39.78 37.05 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 -1.00 6.35 -0.32 6.41 2.15 -1.26 -4.80 116.67 124.20 3fhq s ASP 457 Ca 0.66 1.09 -0.04 0.00 0.43 0.00 0.00 52.55 54.69 3fhq s ASP 457 Cb -0.53 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 39.81 3fhq s ASP 457 CO 0.56 -0.57 0.05 -0.22 -0.17 0.00 0.00 175.17 174.82 3fhq s LEU 458 N -4.52 4.06 0.45 -1.34 2.96 -1.26 -4.51 118.68 114.51 3fhq s LEU 458 Ca 0.50 -1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.08 3fhq s LEU 458 Cb -0.10 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.71 3fhq s LEU 458 CO 0.42 -0.28 0.91 0.20 -1.32 0.00 0.00 176.35 176.27 3fhq s ASN 459 N 1.34 6.72 0.20 3.68 0.01 0.88 -4.82 114.94 122.95 3fhq s ASN 459 Ca -0.03 1.50 -0.05 0.00 -0.71 0.00 0.00 52.86 53.57 3fhq s ASN 459 Cb -0.19 -2.47 -0.06 0.00 0.41 0.00 0.00 41.25 38.94 3fhq s ASN 459 CO 0.01 -0.44 0.45 0.54 -1.51 0.00 0.00 177.10 176.14 3fhq s VAL 460 N -2.37 5.10 -0.06 1.60 0.11 -0.92 -1.55 120.40 122.30 3fhq s VAL 460 Ca 0.58 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.74 3fhq s VAL 460 Cb -0.10 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 3fhq s VAL 460 CO 0.24 -0.08 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.91 3fhq s GLY 461 N -2.66 1.02 -0.01 6.54 0.00 0.16 -1.99 107.32 110.38 3fhq s GLY 461 Ca 0.43 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3fhq s GLY 461 CO 0.26 -0.28 -0.03 -0.11 0.00 0.00 0.00 173.10 172.93 3fhq s PHE 462 N 0.22 0.38 -0.14 1.90 -0.12 -0.77 0.01 117.98 119.46 3fhq s PHE 462 Ca -0.09 -0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 3fhq s PHE 462 Cb -0.14 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 3fhq s PHE 462 CO 0.04 -0.04 0.01 0.50 -0.05 0.00 0.00 175.22 175.68 3fhq s ARG 463 N 0.14 3.55 0.07 1.99 3.52 -0.43 -0.59 118.95 127.19 3fhq s ARG 463 Ca -0.01 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 3fhq s ARG 463 Cb -0.04 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 3fhq s ARG 463 CO -0.00 0.41 0.13 -0.51 -0.81 0.00 0.00 175.30 174.51 3fhq s LEU 464 N -0.06 4.03 0.00 -0.88 1.43 -1.26 -0.08 118.68 121.85 3fhq s LEU 464 Ca 0.04 0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.98 3fhq s LEU 464 Cb -0.13 -2.65 -0.34 0.00 0.03 0.00 0.00 46.19 43.11 3fhq s LEU 464 CO 0.02 0.18 1.49 -0.67 0.23 0.00 0.00 176.35 177.60 3fhq n ASP 465 N 0.45 0.83 -1.29 2.29 -0.08 0.39 -4.82 116.55 114.32 3fhq n ASP 465 Ca -0.08 -2.35 0.00 0.00 -1.51 0.00 0.00 54.79 50.85 3fhq n ASP 465 Cb 0.51 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.51 3fhq n ASP 465 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3fhq n ASP 469 N 8.44 0.00 -4.80 1.67 9.92 -1.26 -5.06 116.55 125.45 3fhq n ASP 469 Ca 0.42 0.86 -0.37 0.00 -0.53 0.00 0.00 54.79 55.17 3fhq n ASP 469 Cb 0.39 -1.29 -0.06 0.00 -0.64 0.00 0.00 41.12 39.52 3fhq n ASP 469 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3fhq s PHE 470 N -0.76 3.68 -0.37 1.24 0.08 -1.26 -4.71 117.98 115.89 3fhq s PHE 470 Ca 0.00 1.52 -0.20 0.00 0.12 0.00 0.00 56.93 58.36 3fhq s PHE 470 Cb 0.00 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.74 3fhq s PHE 470 CO 0.00 0.32 0.63 1.03 -0.10 0.00 0.00 175.22 177.10 3fhq s ARG 471 N -1.93 3.62 -0.27 0.44 1.81 0.24 -4.90 118.95 117.96 3fhq s ARG 471 Ca 0.44 -0.02 -0.11 0.00 -1.72 0.00 0.00 55.73 54.32 3fhq s ARG 471 Cb -0.18 -3.83 -0.05 0.00 -0.45 0.00 0.00 34.95 30.44 3fhq s ARG 471 CO 0.22 -0.78 0.21 0.71 -0.68 0.00 0.00 175.30 174.99 3fhq s TYR 472 N 2.72 3.24 0.09 -0.53 2.02 -1.26 -1.84 117.35 121.79 3fhq s TYR 472 Ca 0.24 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 3fhq s TYR 472 Cb -0.14 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3fhq s TYR 472 CO 0.15 -0.13 -0.05 0.14 -1.57 0.00 0.00 175.55 174.09 3fhq s VAL 473 N 1.69 0.59 0.21 0.71 -7.23 -0.84 -5.01 120.40 110.52 3fhq s VAL 473 Ca 0.08 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 3fhq s VAL 473 Cb -0.16 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3fhq s VAL 473 CO 0.10 -0.87 0.46 -1.83 -0.31 0.00 0.00 175.10 172.65 3fhq s GLU 474 N -3.86 3.63 1.09 4.82 -1.05 -1.26 -2.16 118.70 119.91 3fhq s GLU 474 Ca 0.12 -0.05 -0.13 0.00 -0.15 0.00 0.00 54.97 54.76 3fhq s GLU 474 Cb 0.06 -2.75 0.22 0.00 -0.44 0.00 0.00 34.13 31.21 3fhq s GLU 474 CO -0.05 0.35 0.89 0.41 0.95 0.00 0.00 175.26 177.82 3fhq n GLY 475 N -0.41 -1.64 0.16 -3.83 0.00 -1.26 -4.97 105.19 93.24 3fhq n GLY 475 Ca -0.02 -0.98 -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 -4.24 0.58 -4.30 1.61 2.13 -0.49 -4.94 120.64 111.00 3fhq n GLU 476 Ca 0.05 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.74 3fhq n GLU 476 Cb 0.54 -1.46 -0.16 0.00 0.27 0.00 0.00 31.44 30.64 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 3.12 -0.02 5.31 2.00 -0.83 -4.97 119.66 121.78 3fhq s GLN 477 Ca -0.35 -0.78 -0.03 0.00 -2.00 0.00 0.00 55.36 52.19 3fhq s GLN 477 Cb 0.12 -2.63 -0.04 0.00 0.80 0.00 0.00 33.01 31.26 3fhq s GLN 477 CO 0.51 -0.11 0.18 0.50 -0.50 0.00 0.00 175.29 175.87 3fhq s ARG 478 N 1.10 3.44 -0.06 1.67 3.52 -1.26 -1.27 118.95 126.09 3fhq s ARG 478 Ca 0.00 -0.29 -0.06 0.00 -0.13 0.00 0.00 55.73 55.25 3fhq s ARG 478 Cb -0.14 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3fhq s ARG 478 CO -0.06 0.69 0.17 -2.00 -0.81 0.00 0.00 175.30 173.29 3fhq s GLU 479 N -1.81 0.21 -0.18 5.12 2.12 -0.23 -4.98 118.70 118.95 3fhq s GLU 479 Ca 0.26 0.23 -0.09 0.00 0.36 0.00 0.00 54.97 55.73 3fhq s GLU 479 Cb -0.13 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 3fhq s GLU 479 CO 0.17 -0.03 0.10 -1.12 -0.54 0.00 0.00 175.26 173.84 3fhq s SER 480 N 0.06 5.97 -0.24 -1.70 0.01 -1.26 -0.39 113.70 116.15 3fhq s SER 480 Ca -0.00 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 3fhq s SER 480 Cb -0.01 -2.02 0.08 0.00 0.21 0.00 0.00 66.02 64.27 3fhq s SER 480 CO 0.00 0.20 0.10 -0.63 0.41 0.00 0.00 173.24 173.33 3fhq s ILE 481 N 0.22 0.04 -1.71 1.44 1.01 -0.09 -4.89 121.20 117.22 3fhq s ILE 481 Ca 0.07 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 3fhq s ILE 481 Cb -0.12 -0.88 0.15 0.00 0.01 0.00 0.00 42.46 41.62 3fhq s ILE 481 CO -0.01 -0.51 0.59 0.59 0.00 0.00 0.00 174.94 175.61 3fhq n ASN 482 N 5.21 -2.00 0.00 3.58 3.02 -1.26 -0.86 115.26 122.95 3fhq n ASN 482 Ca -0.06 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3fhq n ASN 482 Cb 0.45 -2.30 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 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 -1.51 0.11 3.91 7.41 0.00 -1.26 -4.81 105.19 109.04 3fhq n GLY 483 Ca -0.00 0.00 -0.33 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 -2.03 3.54 -0.23 1.61 0.52 -0.04 -4.76 118.94 117.56 3fhq s TRP 484 Ca 0.00 0.34 -0.09 0.00 0.02 0.00 0.00 56.10 56.36 3fhq s TRP 484 Cb 0.00 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 3fhq s TRP 484 CO 0.00 0.64 0.12 0.99 0.02 0.00 0.00 176.95 178.72 3fhq s THR 485 N -1.36 4.99 -0.26 2.01 2.01 0.40 -0.91 115.64 122.52 3fhq s THR 485 Ca 0.29 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 3fhq s THR 485 Cb -0.13 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.09 3fhq s THR 485 CO 0.21 0.36 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.89 3fhq s GLN 486 N 1.09 2.90 0.13 4.92 0.74 0.47 -1.35 119.66 128.55 3fhq s GLN 486 Ca 0.06 -0.95 -0.14 0.00 0.05 0.00 0.00 55.36 54.39 3fhq s GLN 486 Cb -0.14 -3.09 -0.07 0.00 1.10 0.00 0.00 33.01 30.81 3fhq s GLN 486 CO 0.04 -0.41 0.52 -1.58 -0.55 0.00 0.00 175.29 173.31 3fhq s TRP 487 N 1.37 3.61 -0.11 1.67 0.52 -0.18 -1.07 118.94 124.76 3fhq s TRP 487 Ca 0.01 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.17 3fhq s TRP 487 Cb -0.17 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 29.83 3fhq s TRP 487 CO -0.03 0.46 -0.17 0.99 0.02 0.00 0.00 176.95 178.22 3fhq s THR 488 N -1.43 1.66 -0.31 2.01 2.01 -0.40 -1.94 115.64 117.24 3fhq s THR 488 Ca 0.36 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.65 3fhq s THR 488 Cb -0.15 -1.49 0.09 0.00 0.01 0.00 0.00 72.50 70.95 3fhq s THR 488 CO 0.19 0.47 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.37 3fhq s LEU 489 N 0.87 4.20 0.47 4.42 2.96 0.15 -1.40 118.68 130.35 3fhq s LEU 489 Ca -0.08 -1.87 -0.24 0.00 -0.22 0.00 0.00 54.13 51.72 3fhq s LEU 489 Cb -0.15 -1.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.89 3fhq s LEU 489 CO -0.00 -0.31 1.39 -2.84 -1.32 0.00 0.00 176.35 173.27 3fhq s PRO 490 N 1.00 3.59 -0.10 0.98 0.02 -1.26 -0.49 135.00 138.73 3fhq s PRO 490 Ca 0.04 2.34 0.14 0.00 0.02 0.00 0.00 61.00 63.54 3fhq s PRO 490 Cb -0.19 -2.57 0.24 0.00 0.02 0.00 0.00 34.50 32.00 3fhq s PRO 490 CO -0.07 -0.87 1.14 1.28 -0.33 0.00 0.00 177.00 178.15 3fhq n LEU 491 N -0.37 2.41 -0.27 -5.54 4.77 -0.79 -4.75 117.00 112.46 3fhq n LEU 491 Ca 0.06 -2.80 0.09 0.00 -0.03 0.00 0.00 56.01 53.33 3fhq n LEU 491 Cb 0.43 -0.33 0.33 0.00 -2.33 0.00 0.00 43.42 41.51 3fhq n LEU 491 CO 0.57 0.66 1.23 0.44 -1.33 0.00 0.00 177.39 178.95 3fhq h ASP 492 N 0.20 0.74 0.00 -1.43 3.45 -1.85 0.17 116.42 117.69 3fhq h ASP 492 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3fhq h ASP 492 Cb 0.91 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3fhq h ASP 492 CO 0.02 0.41 0.07 0.00 -1.57 0.00 0.00 179.24 178.17 3fhq n ALA 493 N -2.42 0.87 0.00 3.45 0.00 -1.26 -1.78 120.51 119.37 3fhq n ALA 493 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.61 3fhq n ALA 493 Cb 0.36 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.46 0.06 -1.60 0.00 3.01 0.57 -5.05 117.46 112.99 3fhq n PHE 494 Ca -0.00 -0.34 -0.47 0.00 1.01 0.00 0.00 57.45 57.64 3fhq n PHE 494 Cb 0.07 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 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 -0.19 -0.28 0.00 4.37 0.00 -0.73 -0.65 120.51 123.02 3fhq n ALA 495 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3fhq n ALA 495 Cb 0.21 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 1.92 2.04 3.95 0.00 0.00 0.50 -4.96 105.19 108.63 3fhq n GLY 496 Ca 0.13 0.00 -0.24 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 -0.82 2.60 -0.10 1.61 -1.52 0.17 -4.89 119.66 116.71 3fhq s GLN 497 Ca 0.00 -0.44 0.01 0.00 -1.95 0.00 0.00 55.36 52.98 3fhq s GLN 497 Cb 0.00 -2.37 0.02 0.00 -0.22 0.00 0.00 33.01 30.44 3fhq s GLN 497 CO 0.00 -0.79 -0.11 0.99 -0.25 0.00 0.00 175.29 175.13 3fhq s THR 498 N -2.91 1.18 0.01 -0.19 2.01 -1.26 -0.48 115.64 114.00 3fhq s THR 498 Ca 0.56 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 3fhq s THR 498 Cb -0.10 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3fhq s THR 498 CO 0.41 0.38 1.09 -0.63 -0.69 0.00 0.00 174.62 175.19 3fhq s ILE 499 N 1.20 4.46 -0.45 1.82 1.01 -0.02 -0.46 121.20 128.76 3fhq s ILE 499 Ca -0.04 1.77 0.04 0.00 0.00 0.00 0.00 60.65 62.42 3fhq s ILE 499 Cb -0.14 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.26 3fhq s ILE 499 CO -0.03 0.11 0.82 0.35 0.00 0.00 0.00 174.94 176.19 3fhq n THR 500 N 4.04 0.41 -3.60 2.92 -2.24 0.88 -1.03 114.28 115.67 3fhq n THR 500 Ca 0.08 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 3fhq n THR 500 Cb 0.48 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.62 -0.25 0.05 3.38 0.00 -1.19 -1.13 107.32 107.56 3fhq s GLY 501 Ca 0.07 2.23 0.07 0.00 0.00 0.00 0.00 44.72 47.08 3fhq s GLY 501 CO 0.06 1.35 -0.19 1.08 0.00 0.00 0.00 173.10 175.39 3fhq s LEU 502 N -0.56 2.19 0.30 0.66 1.43 -0.41 -1.32 118.68 120.96 3fhq s LEU 502 Ca -0.01 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 3fhq s LEU 502 Cb -0.02 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.32 3fhq s LEU 502 CO -0.01 0.12 0.61 0.00 0.23 0.00 0.00 176.35 177.31 3fhq s ALA 503 N -0.86 -0.51 0.15 4.21 0.00 0.10 -1.00 121.76 123.85 3fhq s ALA 503 Ca 0.06 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.31 3fhq s ALA 503 Cb -0.09 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 3fhq s ALA 503 CO 0.02 -0.93 -0.11 -0.06 0.00 0.00 0.00 175.76 174.68 3fhq s PHE 504 N -3.54 1.34 -0.00 0.00 0.08 -0.17 0.37 117.98 116.05 3fhq s PHE 504 Ca 0.19 -0.69 -0.12 0.00 0.12 0.00 0.00 56.93 56.43 3fhq s PHE 504 Cb -0.03 -0.68 0.02 0.00 -0.57 0.00 0.00 43.02 41.76 3fhq s PHE 504 CO 0.10 0.13 0.25 0.00 -0.10 0.00 0.00 175.22 175.60 3fhq s ALA 505 N -2.99 -0.62 0.04 5.36 0.00 -0.60 -0.94 121.76 122.01 3fhq s ALA 505 Ca 0.15 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 3fhq s ALA 505 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3fhq s ALA 505 CO 0.02 -0.26 0.07 0.00 0.00 0.00 0.00 175.76 175.59 3fhq s ALA 506 N -1.47 0.07 -0.11 0.00 0.00 -0.28 -0.08 121.76 119.88 3fhq s ALA 506 Ca -0.13 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3fhq s ALA 506 Cb -0.05 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3fhq s ALA 506 CO 0.03 -0.34 -0.18 -2.00 0.00 0.00 0.00 175.76 173.27 3fhq s GLU 507 N -2.96 3.21 0.57 0.00 2.12 -1.26 -1.43 118.70 118.95 3fhq s GLU 507 Ca -0.02 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 54.35 3fhq s GLU 507 Cb 0.01 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.87 3fhq s GLU 507 CO -0.06 0.21 1.15 0.20 -0.54 0.00 0.00 175.26 176.22 3fhq s GLY 508 N 0.31 2.63 0.00 -1.50 0.00 -0.21 -4.78 107.32 103.77 3fhq s GLY 508 Ca -0.14 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3fhq s GLY 508 CO 0.07 1.23 0.00 1.16 0.00 0.00 0.00 173.10 175.56 3fhq n ASN 509 N -1.47 1.91 -0.02 1.64 0.23 -1.26 -1.70 115.26 114.59 3fhq n ASN 509 Ca 0.12 -0.93 0.17 0.00 -0.53 0.00 0.00 54.58 53.41 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 -0.97 -3.83 4.81 -1.94 0.55 114.58 113.34 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 -0.09 0.00 0.63 0.00 0.00 28.75 29.26 3fhq h GLU 510 CO 0.00 0.10 0.61 1.15 -0.73 0.00 0.00 179.01 180.14 3fhq h THR 511 N 0.15 0.80 0.00 0.32 2.02 -1.93 -3.46 112.91 110.81 3fhq h THR 511 Ca 0.26 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3fhq h THR 511 Cb 0.81 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3fhq h THR 511 CO -0.04 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.61 3fhq n GLY 512 N -1.38 0.82 3.49 2.16 0.00 0.18 -5.00 105.19 105.46 3fhq n GLY 512 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 2.72 -0.02 0.99 1.02 -1.25 -0.58 118.68 121.57 3fhq s LEU 513 Ca 0.00 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.60 3fhq s LEU 513 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 46.19 44.67 3fhq s LEU 513 CO 0.00 0.17 -0.06 0.00 0.02 0.00 0.00 176.35 176.48 3fhq s ALA 514 N -1.19 0.58 -0.32 4.21 0.00 -0.00 -4.68 121.76 120.37 3fhq s ALA 514 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.94 3fhq s ALA 514 Cb -0.10 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 22.94 3fhq s ALA 514 CO 0.10 0.10 0.34 -2.00 0.00 0.00 0.00 175.76 174.30 3fhq s GLU 515 N 0.15 0.44 0.03 0.00 2.12 -1.26 -0.48 118.70 119.71 3fhq s GLU 515 Ca -0.02 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 3fhq s GLU 515 Cb -0.06 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.68 3fhq s GLU 515 CO -0.00 -1.08 0.16 -0.06 -0.54 0.00 0.00 175.26 173.73 3fhq s PHE 516 N 2.10 3.43 -0.10 5.30 0.08 0.15 -1.34 117.98 127.60 3fhq s PHE 516 Ca 0.12 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.42 3fhq s PHE 516 Cb -0.14 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3fhq s PHE 516 CO -0.23 0.59 -0.11 0.71 -0.10 0.00 0.00 175.22 176.07 3fhq s TYR 517 N -1.38 1.63 -0.14 0.36 1.51 -0.73 -1.30 117.35 117.30 3fhq s TYR 517 Ca 0.30 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 3fhq s TYR 517 Cb -0.13 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 3fhq s TYR 517 CO 0.22 -0.44 -0.20 -0.08 -1.11 0.00 0.00 175.55 173.94 3fhq s THR 518 N 1.18 2.26 0.00 -0.71 -1.32 -0.11 -0.38 115.64 116.56 3fhq s THR 518 Ca -0.04 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 3fhq s THR 518 Cb -0.14 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3fhq s THR 518 CO -0.03 0.54 0.44 0.61 -2.21 0.00 0.00 174.62 173.97 3fhq n GLY 519 N 3.96 -1.19 3.60 6.08 0.00 0.11 -1.25 105.19 116.49 3fhq n GLY 519 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.11 0.84 -0.13 1.61 1.03 -1.18 -4.33 119.66 117.39 3fhq s GLN 520 Ca 0.00 0.72 -0.10 0.00 0.04 0.00 0.00 55.36 56.02 3fhq s GLN 520 Cb 0.00 0.41 0.04 0.00 0.03 0.00 0.00 33.01 33.48 3fhq s GLN 520 CO 0.00 -0.16 0.32 -1.17 -2.54 0.00 0.00 175.29 171.75 3fhq s LEU 521 N -0.11 0.59 -0.18 2.60 2.96 -0.34 -0.95 118.68 123.25 3fhq s LEU 521 Ca -0.02 0.66 -0.28 0.00 -0.22 0.00 0.00 54.13 54.27 3fhq s LEU 521 Cb -0.04 1.08 0.08 0.00 0.50 0.00 0.00 46.19 47.81 3fhq s LEU 521 CO 0.02 -0.13 0.73 0.00 -1.32 0.00 0.00 176.35 175.65 3fhq s ALA 522 N 0.53 -1.79 -0.20 5.97 0.00 -0.19 -1.28 121.76 124.79 3fhq s ALA 522 Ca -0.03 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.66 3fhq s ALA 522 Cb -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.40 3fhq s ALA 522 CO -0.03 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.30 3fhq s VAL 523 N -0.32 2.21 0.00 0.00 1.01 -0.12 -0.92 120.40 122.25 3fhq s VAL 523 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3fhq s VAL 523 Cb -0.03 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.35 3fhq s VAL 523 CO 0.04 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3fhq n GLY 524 N 4.60 -0.47 2.72 4.51 0.00 -0.48 -0.62 105.19 115.45 3fhq n GLY 524 Ca -0.19 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 3fhq n GLY 524 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fhq s LYS 529 N -0.74 0.24 0.65 1.61 2.47 -1.26 -0.30 119.74 122.41 3fhq s LYS 529 Ca 0.00 -0.04 -0.15 0.00 -1.56 0.00 0.00 55.97 54.22 3fhq s LYS 529 Cb 0.00 -0.99 -0.00 0.00 -1.46 0.00 0.00 37.83 35.37 3fhq s LYS 529 CO 0.00 -0.85 1.10 -1.25 0.16 0.00 0.00 175.35 174.51 3fhq s PRO 530 N 2.31 2.87 0.48 4.03 0.04 -1.26 -4.98 135.00 138.49 3fhq s PRO 530 Ca 0.08 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 3fhq s PRO 530 Cb -0.15 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3fhq s PRO 530 CO -0.24 -1.19 1.16 0.00 0.04 0.00 0.00 177.00 176.78 3fhq s ALA 531 N -2.39 2.90 0.22 8.56 0.00 -1.26 -4.28 121.76 125.51 3fhq s ALA 531 Ca 0.66 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 53.22 3fhq s ALA 531 Cb -0.20 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 3fhq s ALA 531 CO 0.41 -0.70 1.52 0.00 0.00 0.00 0.00 175.76 177.00 3fhq n ALA 532 N -0.70 1.59 -1.79 0.00 0.00 -1.26 -4.73 120.51 113.61 3fhq n ALA 532 Ca 0.08 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.53 3fhq n ALA 532 Cb 0.49 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 0.17 4.18 -0.61 0.00 0.02 -1.26 -4.94 135.00 132.55 3fhq s PRO 533 Ca 0.72 2.47 -0.25 0.00 0.02 0.00 0.00 61.00 63.97 3fhq s PRO 533 Cb -0.62 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 30.92 3fhq s PRO 533 CO 0.44 -0.50 1.03 1.21 -0.33 0.00 0.00 177.00 178.85 3fhq s ASN 534 N 0.12 6.28 -0.11 2.53 2.47 -1.26 -4.71 114.94 120.26 3fhq s ASN 534 Ca 0.57 -0.48 0.00 0.00 0.42 0.00 0.00 52.86 53.38 3fhq s ASN 534 Cb -0.45 -2.47 -0.02 0.00 -1.45 0.00 0.00 41.25 36.86 3fhq s ASN 534 CO 0.53 -1.41 -0.12 -0.69 -3.72 0.00 0.00 177.10 171.69 3fhq s VAL 535 N 4.38 3.21 -0.01 -5.21 1.01 -1.26 -3.91 120.40 118.60 3fhq s VAL 535 Ca 0.30 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3fhq s VAL 535 Cb -0.12 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3fhq s VAL 535 CO 0.17 0.54 -0.16 0.20 0.00 0.00 0.00 175.10 175.85 3fhq s ASN 536 N 0.08 3.91 -0.28 3.32 0.01 -0.04 -4.95 114.94 116.98 3fhq s ASN 536 Ca -0.05 -0.30 -0.21 0.00 -0.71 0.00 0.00 52.86 51.60 3fhq s ASN 536 Cb -0.14 -0.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.77 3fhq s ASN 536 CO 0.04 0.31 0.66 -0.69 -1.51 0.00 0.00 177.10 175.91 3fhq s VAL 537 N -0.81 4.93 0.28 1.60 1.01 -1.26 -0.85 120.40 125.30 3fhq s VAL 537 Ca 0.13 1.04 0.11 0.00 0.00 0.00 0.00 61.98 63.26 3fhq s VAL 537 Cb -0.11 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3fhq s VAL 537 CO 0.03 -0.08 -0.16 -0.13 0.00 0.00 0.00 175.10 174.75 3fhq s ARG 538 N 2.62 1.64 0.30 2.72 1.81 -0.10 -5.00 118.95 122.95 3fhq s ARG 538 Ca 0.27 -1.77 -0.29 0.00 -1.72 0.00 0.00 55.73 52.21 3fhq s ARG 538 Cb -0.15 -1.62 -0.10 0.00 -0.45 0.00 0.00 34.95 32.63 3fhq s ARG 538 CO 0.10 0.26 1.31 -0.65 -0.68 0.00 0.00 175.30 175.64 3fhq s GLN 539 N -3.56 4.37 -0.64 3.54 -1.52 -1.26 -1.52 119.66 119.07 3fhq s GLN 539 Ca 0.29 2.17 -0.15 0.00 -1.95 0.00 0.00 55.36 55.73 3fhq s GLN 539 Cb -0.02 -3.10 0.16 0.00 -0.22 0.00 0.00 33.01 29.83 3fhq s GLN 539 CO 0.14 -0.19 0.59 -0.47 -0.25 0.00 0.00 175.29 175.10 3fhq s TYR 540 N -0.84 3.45 0.24 0.91 5.04 -1.26 -4.67 117.35 120.23 3fhq s TYR 540 Ca 0.51 -1.62 -0.10 0.00 -2.44 0.00 0.00 57.07 53.42 3fhq s TYR 540 Cb -0.39 -3.77 0.36 0.00 0.35 0.00 0.00 41.96 38.51 3fhq s TYR 540 CO 0.49 -1.00 1.60 -0.44 -1.34 0.00 0.00 175.55 174.86 3fhq h ASP 541 N 8.41 -0.66 0.19 4.32 3.32 -1.94 0.89 116.42 130.95 3fhq h ASP 541 Ca -0.14 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3fhq h ASP 541 Cb 1.07 0.46 0.00 0.00 0.22 0.00 0.00 39.33 41.09 3fhq h ASP 541 CO 0.92 -0.25 0.00 -0.65 -1.72 0.00 0.00 179.24 177.54 3fhq h PRO 542 N 0.01 0.00 -2.85 3.56 0.11 -1.94 -3.31 132.00 127.59 3fhq h PRO 542 Ca 0.39 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.90 3fhq h PRO 542 Cb 0.62 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.33 3fhq h PRO 542 CO -0.79 0.00 -0.77 0.34 -0.21 0.00 0.00 178.00 176.57 3fhq s ASP 543 N -4.77 3.36 0.91 -2.05 2.15 0.31 -5.08 116.67 111.49 3fhq s ASP 543 Ca -0.03 -2.63 -0.10 0.00 0.43 0.00 0.00 52.55 50.22 3fhq s ASP 543 Cb 0.10 -0.87 0.14 0.00 -0.30 0.00 0.00 42.92 41.99 3fhq s ASP 543 CO 0.36 -0.26 1.13 -2.84 -0.17 0.00 0.00 175.17 173.39 3fhq s PRO 544 N 0.39 1.06 0.00 4.34 0.02 -1.25 -1.73 135.00 137.84 3fhq s PRO 544 Ca 0.19 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.65 3fhq s PRO 544 Cb -0.20 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3fhq s PRO 544 CO -0.02 -2.56 0.00 -1.13 -0.33 0.00 0.00 177.00 172.96 3fhq n SER 545 N -4.18 0.00 -4.81 2.53 3.41 -1.26 -4.96 113.62 104.35 3fhq n SER 545 Ca 0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.49 3fhq n SER 545 Cb 0.52 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 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 2.22 0.19 5.00 0.00 -0.70 -1.32 107.32 110.71 3fhq s GLY 546 Ca 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 44.72 42.67 3fhq s GLY 546 CO 0.00 -1.80 0.26 -0.26 0.00 0.00 0.00 173.10 171.30 3fhq s ILE 547 N -2.53 0.04 -0.02 0.90 -4.36 -0.76 -4.39 121.20 110.09 3fhq s ILE 547 Ca 0.45 -1.62 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 3fhq s ILE 547 Cb -0.00 -2.12 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 3fhq s ILE 547 CO 0.25 -0.17 -0.15 0.00 0.24 0.00 0.00 174.94 175.12 3fhq s GLN 548 N -4.04 1.27 -0.11 0.37 -2.07 -0.57 -1.32 119.66 113.19 3fhq s GLN 548 Ca 0.25 -0.52 -0.18 0.00 -1.82 0.00 0.00 55.36 53.10 3fhq s GLN 548 Cb 0.04 -1.20 -0.04 0.00 -1.09 0.00 0.00 33.01 30.72 3fhq s GLN 548 CO 0.05 0.28 0.45 -0.51 -1.32 0.00 0.00 175.29 174.25 3fhq s LEU 549 N -0.22 4.28 -0.08 2.60 2.01 -0.01 -0.93 118.68 126.34 3fhq s LEU 549 Ca 0.03 0.79 0.02 0.00 0.01 0.00 0.00 54.13 54.99 3fhq s LEU 549 Cb -0.07 -2.66 0.01 0.00 0.01 0.00 0.00 46.19 43.49 3fhq s LEU 549 CO -0.00 0.03 -0.14 -0.69 1.01 0.00 0.00 176.35 176.56 3fhq s VAL 550 N 0.51 1.29 0.39 -1.59 1.01 -0.03 -1.14 120.40 120.84 3fhq s VAL 550 Ca 0.25 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3fhq s VAL 550 Cb -0.15 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3fhq s VAL 550 CO 0.10 0.39 0.08 -1.66 0.00 0.00 0.00 175.10 174.01 3fhq s TRP 551 N 0.69 1.89 -0.26 5.22 -2.14 0.11 -0.86 118.94 123.59 3fhq s TRP 551 Ca -0.14 -1.10 -0.17 0.00 2.66 0.00 0.00 56.10 57.36 3fhq s TRP 551 Cb -0.16 -1.28 -0.03 0.00 -3.10 0.00 0.00 33.47 28.90 3fhq s TRP 551 CO 0.03 -0.10 0.45 -1.21 -2.66 0.00 0.00 176.95 173.47 3fhq s GLU 552 N -3.80 4.05 -0.29 3.25 2.02 -1.25 -4.77 118.70 117.90 3fhq s GLU 552 Ca 0.27 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 55.16 3fhq s GLU 552 Cb 0.05 -3.65 0.01 0.00 0.10 0.00 0.00 34.13 30.65 3fhq s GLU 552 CO 0.14 -0.31 1.08 0.21 0.02 0.00 0.00 175.26 176.40 3fhq s LYS 553 N 2.16 4.12 0.24 1.61 2.20 -1.26 -4.88 119.74 123.93 3fhq s LYS 553 Ca 0.18 1.17 -0.25 0.00 -0.36 0.00 0.00 55.97 56.71 3fhq s LYS 553 Cb -0.16 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 3fhq s LYS 553 CO 0.09 -0.83 0.84 1.14 -0.36 0.00 0.00 175.35 176.23 3fhq s GLN 554 N 3.55 4.53 0.00 4.03 -2.07 -1.26 -4.97 119.66 123.48 3fhq s GLN 554 Ca 0.46 1.18 0.18 0.00 -1.82 0.00 0.00 55.36 55.36 3fhq s GLN 554 Cb -0.13 -3.02 0.73 0.00 -1.09 0.00 0.00 33.01 29.50 3fhq s GLN 554 CO 0.13 0.43 1.52 -1.13 -1.32 0.00 0.00 175.29 174.92 3fhq n SER 555 N 1.03 1.28 -1.02 12.60 3.41 -1.26 -2.26 113.62 127.40 3fhq n SER 555 Ca -0.02 -1.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.01 3fhq n SER 555 Cb 0.49 -0.10 0.15 0.00 -0.26 0.00 0.00 64.21 64.49 3fhq n SER 555 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3fhq n ASN 556 N 0.09 3.17 -4.47 4.04 6.94 -1.26 -4.97 115.26 118.79 3fhq n ASN 556 Ca 0.14 -1.98 -0.33 0.00 -0.02 0.00 0.00 54.58 52.39 3fhq n ASN 556 Cb 0.26 -0.10 -0.13 0.00 -2.36 0.00 0.00 39.78 37.45 3fhq n ASN 556 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fhq s VAL 557 N -1.75 3.64 0.01 3.53 1.01 -0.96 -2.82 120.40 123.06 3fhq s VAL 557 Ca 0.32 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3fhq s VAL 557 Cb 0.21 -2.57 -0.30 0.00 0.00 0.00 0.00 36.38 33.72 3fhq s VAL 557 CO 0.30 0.51 0.88 -0.74 0.00 0.00 0.00 175.10 176.06 3fhq h HIS 558 N 6.52 0.62 -1.30 5.22 2.76 -0.62 -3.45 115.15 124.90 3fhq h HIS 558 Ca -0.32 -0.45 0.33 0.00 -2.20 0.00 0.00 60.37 57.73 3fhq h HIS 558 Cb 1.19 -0.02 -0.15 0.00 1.55 0.00 0.00 27.41 29.98 3fhq h HIS 558 CO 0.53 1.47 0.88 -3.38 -1.30 0.00 0.00 177.93 176.13 3fhq s HIS 559 N -2.61 -0.05 0.02 5.26 -3.43 -1.19 -4.71 115.29 108.58 3fhq s HIS 559 Ca -0.10 -0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.21 3fhq s HIS 559 Cb 0.06 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.70 3fhq s HIS 559 CO 0.87 -0.17 -0.15 0.71 -2.00 0.00 0.00 174.74 174.00 3fhq s TYR 560 N -2.28 2.64 -0.11 0.38 2.02 0.20 -1.44 117.35 118.76 3fhq s TYR 560 Ca 0.13 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 3fhq s TYR 560 Cb 0.03 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3fhq s TYR 560 CO -0.04 0.26 -0.18 1.03 -1.57 0.00 0.00 175.55 175.04 3fhq s ARG 561 N -1.30 3.17 -0.29 -0.62 0.52 -0.53 -1.48 118.95 118.42 3fhq s ARG 561 Ca 0.14 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.52 3fhq s ARG 561 Cb -0.11 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.90 3fhq s ARG 561 CO 0.05 0.23 0.08 0.08 0.02 0.00 0.00 175.30 175.76 3fhq s VAL 562 N 0.26 4.04 0.02 3.52 1.01 0.11 -1.89 120.40 127.48 3fhq s VAL 562 Ca -0.12 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3fhq s VAL 562 Cb -0.16 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3fhq s VAL 562 CO 0.07 0.13 0.14 -0.31 0.00 0.00 0.00 175.10 175.13 3fhq s TYR 563 N 1.53 3.41 0.05 5.22 2.02 0.42 -0.62 117.35 129.37 3fhq s TYR 563 Ca 0.03 0.24 0.09 0.00 -0.37 0.00 0.00 57.07 57.07 3fhq s TYR 563 Cb -0.17 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3fhq s TYR 563 CO 0.03 0.59 -0.26 -1.59 -1.57 0.00 0.00 175.55 172.74 3fhq s LYS 564 N -2.09 1.80 0.18 -0.62 -2.85 -0.27 -0.58 119.74 115.31 3fhq s LYS 564 Ca 0.28 -1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 53.84 3fhq s LYS 564 Cb -0.12 -1.98 -0.08 0.00 -2.06 0.00 0.00 37.83 33.59 3fhq s LYS 564 CO 0.20 0.51 1.07 -1.21 0.10 0.00 0.00 175.35 176.03 3fhq s GLU 565 N -1.24 4.63 0.23 1.78 2.02 -0.90 -1.72 118.70 123.50 3fhq s GLU 565 Ca 0.12 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.79 3fhq s GLU 565 Cb -0.10 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 3fhq s GLU 565 CO 0.02 0.13 0.11 0.95 0.02 0.00 0.00 175.26 176.50 3fhq s THR 566 N -0.37 0.32 -0.42 3.63 -4.23 -0.69 -4.79 115.64 109.09 3fhq s THR 566 Ca 0.48 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.18 3fhq s THR 566 Cb -0.29 -2.58 0.19 0.00 1.34 0.00 0.00 72.50 71.17 3fhq s THR 566 CO 0.35 0.00 1.59 0.29 -0.54 0.00 0.00 174.62 176.30 3fhq n LYS 567 N -0.39 0.13 -0.78 3.99 5.02 -1.26 -2.09 118.16 122.79 3fhq n LYS 567 Ca 0.01 0.54 -0.03 0.00 -2.02 0.00 0.00 58.31 56.81 3fhq n LYS 567 Cb 0.66 -1.85 0.20 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.12 1.03 -0.39 2.13 8.25 -1.26 -5.09 115.22 117.77 3fhq n HIS 568 Ca 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 3fhq n HIS 568 Cb 0.09 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.73 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 -1.10 -2.44 3.70 -1.41 0.00 -0.89 -4.92 105.19 98.14 3fhq n GLY 569 Ca 0.32 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.30 4.45 -0.15 1.61 -2.85 -1.26 -1.70 119.74 119.54 3fhq s LYS 570 Ca 0.00 1.60 -0.03 0.00 -1.00 0.00 0.00 55.97 56.55 3fhq s LYS 570 Cb 0.00 -3.45 -0.02 0.00 -2.06 0.00 0.00 37.83 32.30 3fhq s LYS 570 CO 0.00 -0.24 -0.06 -2.00 0.10 0.00 0.00 175.35 173.15 3fhq s GLU 571 N 1.39 3.59 0.01 1.78 2.12 -0.70 -4.91 118.70 121.99 3fhq s GLU 571 Ca 0.55 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 3fhq s GLU 571 Cb -0.25 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 3fhq s GLU 571 CO 0.26 0.22 1.42 -1.17 -0.54 0.00 0.00 175.26 175.45 3fhq s LEU 572 N 0.39 4.32 0.00 2.70 2.96 0.10 -1.12 118.68 128.03 3fhq s LEU 572 Ca -0.06 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3fhq s LEU 572 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3fhq s LEU 572 CO 0.04 -0.73 0.29 2.30 -1.32 0.00 0.00 176.35 176.93 3fhq n ILE 573 N 4.64 0.00 -3.57 6.68 -5.35 0.21 -4.70 119.36 117.28 3fhq n ILE 573 Ca 0.13 -0.44 -0.12 0.00 -0.27 0.00 0.00 62.75 62.05 3fhq n ILE 573 Cb 0.43 1.07 -0.05 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.31 -0.33 0.01 3.28 0.00 -1.12 -4.99 107.32 103.87 3fhq s GLY 574 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 44.72 46.64 3fhq s GLY 574 CO 0.00 1.06 -0.02 -0.51 0.00 0.00 0.00 173.10 173.63 3fhq s THR 575 N -1.05 0.09 -0.11 0.90 -4.23 -1.26 -0.71 115.64 109.27 3fhq s THR 575 Ca -0.03 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 3fhq s THR 575 Cb -0.01 -0.17 0.03 0.00 1.34 0.00 0.00 72.50 73.69 3fhq s THR 575 CO 0.03 -0.28 0.30 -0.55 -0.54 0.00 0.00 174.62 173.58 3fhq s SER 576 N -0.84 -0.30 -0.03 3.99 0.15 -0.55 -4.98 113.70 111.14 3fhq s SER 576 Ca -0.09 0.57 0.15 0.00 0.70 0.00 0.00 55.95 57.28 3fhq s SER 576 Cb -0.06 0.59 0.47 0.00 -1.71 0.00 0.00 66.02 65.31 3fhq s SER 576 CO -0.01 -0.12 1.39 0.00 1.20 0.00 0.00 173.24 175.70 3fhq n ALA 577 N 2.82 2.39 -2.39 5.45 0.00 -1.26 0.61 120.51 128.14 3fhq n ALA 577 Ca -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3fhq n ALA 577 Cb 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 0.83 3.14 0.71 0.00 0.00 -1.26 -4.58 105.19 104.03 3fhq n GLY 578 Ca 0.18 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.44 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 2.74 -3.84 1.61 5.75 -1.26 -4.83 116.55 116.72 3fhq n ASP 579 Ca 0.00 -1.82 -0.08 0.00 -0.01 0.00 0.00 54.79 52.88 3fhq n ASP 579 Cb 0.00 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.09 1.67 -0.14 0.11 1.70 -1.26 -0.71 118.95 119.22 3fhq s ARG 580 Ca 0.24 -0.99 -0.14 0.00 -0.47 0.00 0.00 55.73 54.37 3fhq s ARG 580 Cb 0.14 0.57 0.04 0.00 -0.57 0.00 0.00 34.95 35.13 3fhq s ARG 580 CO 0.19 -0.75 0.39 -1.50 -1.08 0.00 0.00 175.30 172.56 3fhq s ILE 581 N -3.92 0.00 -0.12 4.99 2.07 -0.29 -4.84 121.20 119.09 3fhq s ILE 581 Ca 0.12 -0.03 -0.15 0.00 -1.41 0.00 0.00 60.65 59.19 3fhq s ILE 581 Cb -0.04 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 3fhq s ILE 581 CO 0.05 -0.02 0.35 -0.47 -1.91 0.00 0.00 174.94 172.94 3fhq s TYR 582 N 0.10 3.52 -0.12 3.50 5.04 -1.26 -0.83 117.35 127.31 3fhq s TYR 582 Ca -0.01 0.72 0.02 0.00 -2.44 0.00 0.00 57.07 55.36 3fhq s TYR 582 Cb -0.03 -2.36 0.01 0.00 0.35 0.00 0.00 41.96 39.93 3fhq s TYR 582 CO 0.01 0.31 -0.17 0.42 -1.34 0.00 0.00 175.55 174.78 3fhq s ILE 583 N 0.20 1.65 0.36 3.14 -1.09 -0.43 -5.01 121.20 120.02 3fhq s ILE 583 Ca 0.20 -0.73 -0.18 0.00 -2.23 0.00 0.00 60.65 57.71 3fhq s ILE 583 Cb -0.14 -1.50 -0.10 0.00 -1.58 0.00 0.00 42.46 39.15 3fhq s ILE 583 CO 0.07 0.47 0.82 -1.83 -1.23 0.00 0.00 174.94 173.23 3fhq s GLU 584 N 0.98 4.11 0.00 2.79 -1.05 -1.26 -1.82 118.70 122.45 3fhq s GLU 584 Ca -0.06 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 55.61 3fhq s GLU 584 Cb -0.15 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 3fhq s GLU 584 CO -0.02 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.70 3fhq n GLY 585 N -0.39 0.41 0.20 -3.83 0.00 -0.44 -4.90 105.19 96.25 3fhq n GLY 585 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3fhq n GLY 585 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fhq h LEU 586 N 0.00 0.59 -8.28 0.99 6.46 -1.63 -3.33 115.31 110.11 3fhq h LEU 586 Ca 0.00 -0.19 -0.23 0.00 -0.12 0.00 0.00 57.88 57.34 3fhq h LEU 586 Cb 0.25 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3fhq h LEU 586 CO 0.00 0.63 0.60 -0.69 -0.62 0.00 0.00 178.44 178.35 3fhq s VAL 587 N -5.45 3.32 0.00 1.05 1.01 -1.18 -5.05 120.40 114.09 3fhq s VAL 587 Ca -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3fhq s VAL 587 Cb 0.10 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3fhq s VAL 587 CO 0.76 -0.68 0.00 -0.62 0.00 0.00 0.00 175.10 174.57 3fhq n GLU 588 N 8.87 0.00 0.00 2.72 1.02 -1.25 -4.71 120.64 127.29 3fhq n GLU 588 Ca 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3fhq n GLU 588 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 3fhq n GLU 588 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fhq n VAL 595 N 0.00 0.00 -3.89 2.62 0.31 -1.26 -5.17 118.33 110.94 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 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 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 -0.05 4.04 0.21 5.55 0.52 -1.26 -4.61 118.95 123.34 3fhq s ARG 596 Ca 0.00 -0.28 0.09 0.00 -0.52 0.00 0.00 55.73 55.02 3fhq s ARG 596 Cb 0.00 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3fhq s ARG 596 CO 0.00 0.31 -0.07 -0.51 0.02 0.00 0.00 175.30 175.05 3fhq s LEU 597 N 0.30 3.03 -0.08 2.53 1.43 -0.47 -2.12 118.68 123.30 3fhq s LEU 597 Ca 0.06 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3fhq s LEU 597 Cb -0.12 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.47 3fhq s LEU 597 CO -0.01 0.07 0.01 -1.00 0.23 0.00 0.00 176.35 175.65 3fhq s HIS 598 N -1.92 0.69 -0.22 0.29 3.76 0.25 -1.92 115.29 116.23 3fhq s HIS 598 Ca 0.27 -0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 54.89 3fhq s HIS 598 Cb -0.08 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 3fhq s HIS 598 CO 0.17 -0.36 0.03 0.42 -0.85 0.00 0.00 174.74 174.15 3fhq s ILE 599 N 1.97 4.10 0.08 0.60 1.09 -0.59 -0.44 121.20 128.01 3fhq s ILE 599 Ca 0.04 -0.25 0.10 0.00 -1.10 0.00 0.00 60.65 59.44 3fhq s ILE 599 Cb -0.13 -2.88 -0.03 0.00 -1.06 0.00 0.00 42.46 38.36 3fhq s ILE 599 CO -0.06 0.40 -0.26 -1.83 -0.10 0.00 0.00 174.94 173.10 3fhq s GLU 600 N 1.23 1.66 -0.15 2.79 -1.05 -0.79 -0.70 118.70 121.69 3fhq s GLU 600 Ca 0.04 -1.20 -0.07 0.00 -0.15 0.00 0.00 54.97 53.58 3fhq s GLU 600 Cb -0.15 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.53 3fhq s GLU 600 CO 0.02 0.49 0.10 0.00 0.95 0.00 0.00 175.26 176.81 3fhq s ALA 601 N -0.94 3.61 -0.14 -0.84 0.00 -1.26 -1.45 121.76 120.74 3fhq s ALA 601 Ca 0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 3fhq s ALA 601 Cb -0.10 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 3fhq s ALA 601 CO 0.04 0.38 -0.05 -0.51 0.00 0.00 0.00 175.76 175.62 3fhq s LEU 602 N -0.27 3.17 1.12 0.00 1.02 -0.52 -0.66 118.68 122.55 3fhq s LEU 602 Ca 0.10 -0.14 -0.16 0.00 0.02 0.00 0.00 54.13 53.94 3fhq s LEU 602 Cb -0.12 -1.75 0.25 0.00 0.02 0.00 0.00 46.19 44.59 3fhq s LEU 602 CO 0.01 0.19 1.11 -0.94 0.02 0.00 0.00 176.35 176.74 3fhq s SER 603 N 0.22 1.61 0.53 2.29 1.04 -0.33 -0.07 113.70 118.99 3fhq s SER 603 Ca -0.03 0.84 0.23 0.00 0.48 0.00 0.00 55.95 57.46 3fhq s SER 603 Cb -0.14 -1.25 1.39 0.00 0.10 0.00 0.00 66.02 66.11 3fhq s SER 603 CO 0.03 -3.72 2.05 -0.33 0.98 0.00 0.00 173.24 172.25 3fhq h GLU 604 N -2.30 0.00 -0.17 4.02 4.39 -1.83 0.16 114.58 118.84 3fhq h GLU 604 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3fhq h GLU 604 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3fhq h GLU 604 CO 0.44 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.70 3fhq n THR 605 N -4.36 0.22 -1.68 1.13 -1.04 -1.26 -4.80 114.28 102.49 3fhq n THR 605 Ca 0.05 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 61.61 3fhq n THR 605 Cb 0.43 0.27 -0.04 0.00 -1.82 0.00 0.00 70.33 69.17 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 0.21 -0.22 -2.43 -1.42 3.01 0.54 -4.98 117.46 112.17 3fhq n PHE 606 Ca 0.15 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.18 3fhq n PHE 606 Cb 0.29 -2.59 -0.02 0.00 -0.01 0.00 0.00 39.48 37.14 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 -2.56 4.25 0.19 -4.37 1.01 -1.26 -4.73 120.40 112.93 3fhq s VAL 607 Ca 0.00 1.55 -0.27 0.00 0.00 0.00 0.00 61.98 63.26 3fhq s VAL 607 Cb 0.00 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3fhq s VAL 607 CO 0.00 -0.07 0.83 -2.16 0.00 0.00 0.00 175.10 173.70 3fhq s PRO 608 N 2.87 4.67 0.85 2.72 0.05 -1.26 -1.19 135.00 143.72 3fhq s PRO 608 Ca 0.56 1.27 -0.12 0.00 0.05 0.00 0.00 61.00 62.76 3fhq s PRO 608 Cb -0.23 -3.27 0.10 0.00 0.05 0.00 0.00 34.50 31.15 3fhq s PRO 608 CO 0.18 0.55 1.13 -1.54 0.05 0.00 0.00 177.00 177.37 3fhq s SER 609 N -1.13 4.06 0.35 6.66 1.04 0.17 -4.72 113.70 120.13 3fhq s SER 609 Ca 0.38 1.03 -0.28 0.00 0.48 0.00 0.00 55.95 57.55 3fhq s SER 609 Cb -0.24 -1.64 -0.11 0.00 0.10 0.00 0.00 66.02 64.13 3fhq s SER 609 CO 0.28 -2.21 1.41 -1.81 0.98 0.00 0.00 173.24 171.89 3fhq s ASP 610 N -4.12 6.54 0.10 7.02 1.01 -1.26 -4.66 116.67 121.30 3fhq s ASP 610 Ca 0.62 2.88 -0.30 0.00 0.71 0.00 0.00 52.55 56.46 3fhq s ASP 610 Cb -0.14 -2.66 -0.06 0.00 1.01 0.00 0.00 42.92 41.07 3fhq s ASP 610 CO 0.53 -0.72 1.16 0.00 0.21 0.00 0.00 175.17 176.35 3fhq s ALA 611 N -1.04 3.38 0.13 5.23 0.00 -1.26 -4.25 121.76 123.95 3fhq s ALA 611 Ca 0.52 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 3fhq s ALA 611 Cb -0.43 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 3fhq s ALA 611 CO 0.57 -0.36 1.08 0.50 0.00 0.00 0.00 175.76 177.55 3fhq s ARG 612 N 0.53 4.59 0.04 0.00 6.06 0.13 -4.83 118.95 125.47 3fhq s ARG 612 Ca 0.55 1.65 -0.16 0.00 -2.50 0.00 0.00 55.73 55.27 3fhq s ARG 612 Cb -0.29 -3.32 -0.06 0.00 0.06 0.00 0.00 34.95 31.33 3fhq s ARG 612 CO 0.32 0.05 0.48 1.41 -2.50 0.00 0.00 175.30 175.05 3fhq s MET 613 N 0.02 4.02 -0.03 5.12 -2.45 -1.26 -1.55 119.30 123.17 3fhq s MET 613 Ca 0.50 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 55.48 3fhq s MET 613 Cb -0.28 -3.19 0.03 0.00 1.25 0.00 0.00 34.83 32.64 3fhq s MET 613 CO 0.32 0.65 0.00 0.42 1.05 0.00 0.00 175.02 177.47 3fhq s ILE 614 N -1.14 0.17 -2.31 10.11 -1.09 -0.81 -5.00 121.20 121.13 3fhq s ILE 614 Ca 0.27 0.08 0.19 0.00 -2.23 0.00 0.00 60.65 58.96 3fhq s ILE 614 Cb -0.17 -0.26 0.15 0.00 -1.58 0.00 0.00 42.46 40.59 3fhq s ILE 614 CO 0.16 0.14 1.09 0.47 -1.23 0.00 0.00 174.94 175.56