#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s MET 3 N 0.00 4.57 0.22 0.54 -1.94 -1.26 -5.07 119.30 116.37 3fa3 s MET 3 Ca 0.00 1.19 0.02 0.00 -1.71 0.00 0.00 55.69 55.20 3fa3 s MET 3 Cb 0.00 -3.34 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 3fa3 s MET 3 CO 0.00 0.33 0.37 0.08 -0.01 0.00 0.00 175.02 175.80 3fa3 s VAL 4 N -0.30 5.24 0.11 -6.03 1.01 -1.26 -5.12 120.40 114.05 3fa3 s VAL 4 Ca 0.40 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3fa3 s VAL 4 Cb -0.22 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3fa3 s VAL 4 CO 0.26 -0.26 -0.19 0.28 0.00 0.00 0.00 175.10 175.19 3fa3 s THR 5 N -1.94 1.58 0.51 3.92 -1.32 -1.26 -5.00 115.64 112.12 3fa3 s THR 5 Ca 0.36 -1.56 0.25 0.00 -1.21 0.00 0.00 61.69 59.53 3fa3 s THR 5 Cb -0.10 -1.50 0.30 0.00 -1.51 0.00 0.00 72.50 69.69 3fa3 s THR 5 CO 0.30 -0.16 2.15 0.00 -2.21 0.00 0.00 174.62 174.70 3fa3 h ALA 6 N 3.95 1.53 -0.75 11.08 0.00 -1.79 -2.37 119.26 130.92 3fa3 h ALA 6 Ca -0.44 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.47 3fa3 h ALA 6 Cb 1.19 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3fa3 h ALA 6 CO 0.42 0.08 0.49 0.00 0.00 0.00 0.00 179.25 180.24 3fa3 h ALA 7 N 1.94 1.63 -0.25 0.00 0.00 -1.77 0.68 119.26 121.49 3fa3 h ALA 7 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3fa3 h ALA 7 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fa3 h ALA 7 CO 0.01 0.27 -0.10 1.15 0.00 0.00 0.00 179.25 180.57 3fa3 h THR 8 N 0.84 1.30 -0.52 0.00 2.02 -1.64 -0.33 112.91 114.58 3fa3 h THR 8 Ca 0.32 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 3fa3 h THR 8 Cb 0.18 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3fa3 h THR 8 CO -0.10 0.36 0.09 -1.28 0.37 0.00 0.00 175.52 174.96 3fa3 h SER 9 N 0.24 0.76 0.05 4.18 0.87 -1.20 -1.92 113.55 116.54 3fa3 h SER 9 Ca 0.06 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.31 3fa3 h SER 9 Cb 0.60 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3fa3 h SER 9 CO 0.03 0.77 -0.55 0.25 -0.53 0.00 0.00 176.83 176.80 3fa3 h LEU 10 N 0.77 0.59 -0.18 2.23 5.85 -0.97 -2.40 115.31 121.20 3fa3 h LEU 10 Ca 0.17 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3fa3 h LEU 10 Cb 0.33 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3fa3 h LEU 10 CO 0.00 1.02 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.82 3fa3 h ARG 11 N 0.41 -0.23 -0.77 1.25 2.43 -0.59 -1.12 114.38 115.76 3fa3 h ARG 11 Ca 0.01 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3fa3 h ARG 11 Cb 1.09 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3fa3 h ARG 11 CO 0.10 -0.16 0.40 0.00 -1.51 0.00 0.00 179.97 178.81 3fa3 h ARG 12 N -0.24 1.08 -0.60 0.20 3.08 -1.13 -2.08 114.38 114.70 3fa3 h ARG 12 Ca 0.12 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3fa3 h ARG 12 Cb 0.42 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3fa3 h ARG 12 CO -0.32 0.81 0.37 0.00 -1.07 0.00 0.00 179.97 179.75 3fa3 h ALA 13 N 1.21 0.76 0.00 0.04 0.00 -1.23 -1.36 119.26 118.67 3fa3 h ALA 13 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3fa3 h ALA 13 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fa3 h ALA 13 CO -0.04 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3fa3 n LEU 14 N -4.63 0.00 0.02 0.00 4.77 -0.44 -1.37 117.00 115.35 3fa3 n LEU 14 Ca 0.04 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 3fa3 n LEU 14 Cb 0.05 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3fa3 n LEU 14 CO 0.36 -0.08 0.11 -0.62 -1.33 0.00 0.00 177.39 175.82 3fa3 n GLU 15 N -1.17 0.19 -3.64 3.23 1.02 -0.52 -4.76 120.64 114.99 3fa3 n GLU 15 Ca 0.09 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.84 3fa3 n GLU 15 Cb 0.10 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 29.84 3fa3 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa3 s ASN 16 N -3.61 5.61 0.13 1.62 2.47 -0.47 -5.03 114.94 115.67 3fa3 s ASN 16 Ca 0.06 -1.19 -0.30 0.00 0.42 0.00 0.00 52.86 51.85 3fa3 s ASN 16 Cb 0.15 -1.97 -0.09 0.00 -1.45 0.00 0.00 41.25 37.89 3fa3 s ASN 16 CO 0.79 -0.42 1.51 -0.65 -3.72 0.00 0.00 177.10 174.61 3fa3 h PRO 17 N 8.38 -0.21 -1.24 0.43 0.11 -1.86 -2.31 132.00 135.30 3fa3 h PRO 17 Ca -0.24 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3fa3 h PRO 17 Cb 1.09 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fa3 h PRO 17 CO 0.68 -0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 3fa3 n ASP 18 N -5.17 2.19 -4.74 -2.05 5.68 -1.26 -4.78 116.55 106.42 3fa3 n ASP 18 Ca -0.01 -1.49 -0.35 0.00 -0.50 0.00 0.00 54.79 52.44 3fa3 n ASP 18 Cb 0.29 -0.37 -0.08 0.00 -1.14 0.00 0.00 41.12 39.82 3fa3 n ASP 18 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3fa3 s SER 19 N 0.96 6.17 -0.18 -1.12 0.01 -0.87 -5.09 113.70 113.56 3fa3 s SER 19 Ca 0.00 0.24 -0.00 0.00 1.31 0.00 0.00 55.95 57.50 3fa3 s SER 19 Cb 0.00 -2.07 0.05 0.00 0.21 0.00 0.00 66.02 64.21 3fa3 s SER 19 CO 0.00 0.21 -0.05 0.12 0.41 0.00 0.00 173.24 173.93 3fa3 s PHE 20 N 0.19 1.82 -0.34 2.43 5.36 -1.26 -4.91 117.98 121.27 3fa3 s PHE 20 Ca 0.08 -1.22 -0.23 0.00 -0.96 0.00 0.00 56.93 54.60 3fa3 s PHE 20 Cb -0.11 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 3fa3 s PHE 20 CO -0.01 -0.65 0.76 0.42 -1.46 0.00 0.00 175.22 174.28 3fa3 s ILE 21 N 1.59 4.78 -0.26 3.12 1.09 -0.93 -5.03 121.20 125.56 3fa3 s ILE 21 Ca -0.01 0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 60.39 3fa3 s ILE 21 Cb -0.16 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 3fa3 s ILE 21 CO -0.07 -0.34 0.17 -0.69 -0.10 0.00 0.00 174.94 173.91 3fa3 s VAL 22 N 2.98 5.31 -0.41 2.92 1.01 -1.26 -1.60 120.40 129.34 3fa3 s VAL 22 Ca 0.31 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3fa3 s VAL 22 Cb -0.14 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.89 3fa3 s VAL 22 CO 0.15 0.30 0.24 0.00 0.00 0.00 0.00 175.10 175.80 3fa3 s ALA 23 N 1.39 1.71 0.57 5.51 0.00 0.42 -4.15 121.76 127.21 3fa3 s ALA 23 Ca 0.07 -2.36 -0.20 0.00 0.00 0.00 0.00 51.96 49.47 3fa3 s ALA 23 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3fa3 s ALA 23 CO 0.07 -2.07 1.29 -1.25 0.00 0.00 0.00 175.76 173.80 3fa3 s PRO 24 N 0.53 3.06 0.22 0.00 0.04 -1.26 -2.45 135.00 135.13 3fa3 s PRO 24 Ca 0.19 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 3fa3 s PRO 24 Cb -0.21 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3fa3 s PRO 24 CO -0.02 -1.20 1.05 0.20 0.04 0.00 0.00 177.00 177.07 3fa3 s GLY 25 N -1.24 2.99 0.07 0.56 0.00 0.12 -1.97 107.32 107.84 3fa3 s GLY 25 Ca 0.74 0.77 0.00 0.00 0.00 0.00 0.00 44.72 46.24 3fa3 s GLY 25 CO 0.41 1.48 -0.05 -1.34 0.00 0.00 0.00 173.10 173.60 3fa3 s VAL 26 N -0.72 0.43 0.00 1.40 -7.23 0.12 -3.61 120.40 110.79 3fa3 s VAL 26 Ca 0.46 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3fa3 s VAL 26 Cb -0.29 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.25 3fa3 s VAL 26 CO 0.36 -0.86 0.00 0.00 -0.31 0.00 0.00 175.10 174.29 3fa3 n TYR 27 N 0.29 0.00 -2.25 2.82 4.11 -1.26 -2.05 117.16 118.82 3fa3 n TYR 27 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3fa3 n TYR 27 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.94 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N 0.00 0.00 -0.03 9.48 5.75 -1.26 -4.45 116.55 126.03 3fa3 n ASP 28 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 3fa3 n ASP 28 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa3 h GLY 29 N 0.00 0.08 0.71 6.12 0.00 -1.99 -2.61 103.07 105.38 3fa3 h GLY 29 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3fa3 h GLY 29 CO 0.00 0.11 -0.47 1.41 0.00 0.00 0.00 176.54 177.59 3fa3 h LEU 30 N -0.59 -1.22 -1.07 3.11 3.38 -1.98 -2.22 115.31 114.72 3fa3 h LEU 30 Ca -0.01 0.08 0.26 0.00 0.09 0.00 0.00 57.88 58.30 3fa3 h LEU 30 Cb 0.78 0.38 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 3fa3 h LEU 30 CO 0.02 -0.68 0.61 0.77 0.09 0.00 0.00 178.44 179.24 3fa3 h SER 31 N -1.07 0.62 -0.06 -0.43 4.64 -1.97 -0.67 113.55 114.61 3fa3 h SER 31 Ca -0.08 0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3fa3 h SER 31 Cb 0.88 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3fa3 h SER 31 CO 0.03 0.08 -0.12 0.00 -0.87 0.00 0.00 176.83 175.95 3fa3 h ALA 32 N 1.72 0.09 -0.99 5.18 0.00 -1.26 -1.88 119.26 122.13 3fa3 h ALA 32 Ca 0.65 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 55.38 3fa3 h ALA 32 Cb 1.33 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 3fa3 h ALA 32 CO -0.46 -0.03 0.61 0.00 0.00 0.00 0.00 179.25 179.37 3fa3 h ARG 33 N -0.31 0.85 -0.11 0.00 2.47 -0.73 -1.96 114.38 114.59 3fa3 h ARG 33 Ca 0.00 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3fa3 h ARG 33 Cb 0.69 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3fa3 h ARG 33 CO 0.03 0.56 -0.15 0.28 0.56 0.00 0.00 179.97 181.25 3fa3 h VAL 34 N 0.87 1.37 -0.39 2.04 2.07 -1.04 -0.03 116.25 121.15 3fa3 h VAL 34 Ca 0.53 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3fa3 h VAL 34 Cb 0.66 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3fa3 h VAL 34 CO -0.32 0.39 0.22 0.00 0.02 0.00 0.00 177.57 177.88 3fa3 h ALA 35 N 0.55 1.67 -0.05 1.67 0.00 -1.14 -0.67 119.26 121.29 3fa3 h ALA 35 Ca 0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 35 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fa3 h ALA 35 CO 0.03 0.29 -0.73 -0.07 0.00 0.00 0.00 179.25 178.78 3fa3 h LEU 36 N 0.53 0.36 -1.34 0.00 3.38 -1.27 -3.03 115.31 113.94 3fa3 h LEU 36 Ca 0.14 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3fa3 h LEU 36 Cb -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fa3 h LEU 36 CO -0.03 0.96 -0.32 0.28 0.09 0.00 0.00 178.44 179.42 3fa3 h SER 37 N 0.20 0.00 0.19 -0.43 0.02 -0.16 -2.63 113.55 110.73 3fa3 h SER 37 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3fa3 h SER 37 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 3fa3 h SER 37 CO 0.12 0.32 -0.08 0.00 -1.14 0.00 0.00 176.83 176.05 3fa3 h ALA 38 N 1.68 1.48 0.00 3.77 0.00 -1.03 -3.46 119.26 121.70 3fa3 h ALA 38 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fa3 h ALA 38 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fa3 h ALA 38 CO 0.04 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3fa3 n GLY 39 N -1.01 1.12 3.83 0.00 0.00 -0.99 -5.09 105.19 103.05 3fa3 n GLY 39 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3fa3 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 40 N -2.00 3.21 -0.05 1.61 0.40 -1.22 -5.00 117.98 114.93 3fa3 s PHE 40 Ca 0.00 1.41 0.08 0.00 -0.60 0.00 0.00 56.93 57.81 3fa3 s PHE 40 Cb 0.00 -2.86 0.12 0.00 0.51 0.00 0.00 43.02 40.79 3fa3 s PHE 40 CO 0.00 -1.09 1.04 -0.25 0.70 0.00 0.00 175.22 175.61 3fa3 n ASP 41 N -2.90 1.98 -3.64 1.36 9.92 -1.26 -4.84 116.55 117.16 3fa3 n ASP 41 Ca 0.07 -2.40 -0.05 0.00 -0.53 0.00 0.00 54.79 51.88 3fa3 n ASP 41 Cb 0.54 -0.18 -0.07 0.00 -0.64 0.00 0.00 41.12 40.77 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fa3 s ALA 42 N -1.68 -2.14 0.27 2.24 0.00 -1.26 -4.26 121.76 114.93 3fa3 s ALA 42 Ca 0.13 2.02 0.12 0.00 0.00 0.00 0.00 51.96 54.23 3fa3 s ALA 42 Cb 0.11 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 3fa3 s ALA 42 CO 0.01 -0.28 -0.20 -0.51 0.00 0.00 0.00 175.76 174.78 3fa3 s LEU 43 N 0.75 2.57 -0.21 0.00 1.43 -0.43 -4.18 118.68 118.61 3fa3 s LEU 43 Ca -0.02 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 3fa3 s LEU 43 Cb -0.04 -1.07 0.05 0.00 0.03 0.00 0.00 46.19 45.16 3fa3 s LEU 43 CO -0.11 0.03 -0.09 -0.47 0.23 0.00 0.00 176.35 175.94 3fa3 s TYR 44 N -2.48 2.49 -0.40 0.29 5.04 -0.83 -0.42 117.35 121.04 3fa3 s TYR 44 Ca 0.29 -1.70 -0.29 0.00 -2.44 0.00 0.00 57.07 52.92 3fa3 s TYR 44 Cb -0.05 -1.65 0.01 0.00 0.35 0.00 0.00 41.96 40.62 3fa3 s TYR 44 CO 0.14 -0.76 1.44 1.41 -1.34 0.00 0.00 175.55 176.44 3fa3 s MET 45 N 1.37 3.57 -0.21 4.97 -2.45 -0.26 0.10 119.30 126.39 3fa3 s MET 45 Ca -0.03 1.00 -0.29 0.00 -1.25 0.00 0.00 55.69 55.12 3fa3 s MET 45 Cb -0.17 -4.04 0.00 0.00 1.25 0.00 0.00 34.83 31.88 3fa3 s MET 45 CO -0.07 -1.58 1.01 -0.08 1.05 0.00 0.00 175.02 175.35 3fa3 s THR 46 N 5.53 4.72 0.17 10.11 -1.32 -0.87 -1.83 115.64 132.14 3fa3 s THR 46 Ca 0.63 1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 62.98 3fa3 s THR 46 Cb -0.15 -4.29 0.05 0.00 -1.51 0.00 0.00 72.50 66.61 3fa3 s THR 46 CO 0.32 -0.13 1.64 1.23 -2.21 0.00 0.00 174.62 175.48 3fa3 h GLY 47 N 9.14 1.04 0.37 6.08 0.00 -1.90 0.66 103.07 118.46 3fa3 h GLY 47 Ca -0.22 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.44 3fa3 h GLY 47 CO 0.94 0.66 -0.21 0.00 0.00 0.00 0.00 176.54 177.93 3fa3 h ALA 48 N 0.99 -0.19 0.09 3.60 0.00 -1.96 0.57 119.26 122.35 3fa3 h ALA 48 Ca 0.17 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 48 Cb 0.46 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3fa3 h ALA 48 CO 0.02 -0.68 -0.46 0.78 0.00 0.00 0.00 179.25 178.90 3fa3 h GLY 49 N -0.28 -0.95 -0.82 0.00 0.00 -1.81 -1.09 103.07 98.11 3fa3 h GLY 49 Ca 0.09 0.56 0.14 0.00 0.00 0.00 0.00 47.33 48.12 3fa3 h GLY 49 CO -0.27 -0.26 -0.39 -0.84 0.00 0.00 0.00 176.54 174.78 3fa3 h THR 50 N -0.67 0.05 -0.77 4.70 2.02 0.64 0.14 112.91 119.02 3fa3 h THR 50 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 3fa3 h THR 50 Cb 0.71 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 3fa3 h THR 50 CO -0.28 0.00 0.37 0.00 0.37 0.00 0.00 175.52 175.98 3fa3 h ALA 51 N 1.20 1.10 0.03 6.16 0.00 0.70 0.53 119.26 128.98 3fa3 h ALA 51 Ca 0.30 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3fa3 h ALA 51 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3fa3 h ALA 51 CO -0.89 -0.09 -0.08 0.00 0.00 0.00 0.00 179.25 178.19 3fa3 h ALA 52 N 1.50 -0.11 0.14 0.00 0.00 0.04 -0.78 119.26 120.04 3fa3 h ALA 52 Ca 0.40 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 3fa3 h ALA 52 Cb 0.51 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3fa3 h ALA 52 CO -0.33 -0.58 -1.27 1.03 0.00 0.00 0.00 179.25 178.10 3fa3 h SER 53 N -0.15 0.77 0.02 0.00 0.87 -0.34 -1.87 113.55 112.84 3fa3 h SER 53 Ca 0.02 -0.74 -0.00 0.00 -1.23 0.00 0.00 61.79 59.84 3fa3 h SER 53 Cb 0.17 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3fa3 h SER 53 CO -0.06 1.55 -0.01 0.58 -0.53 0.00 0.00 176.83 178.37 3fa3 h VAL 54 N 0.21 1.46 0.00 2.23 2.07 -0.98 -3.38 116.25 117.86 3fa3 h VAL 54 Ca -0.18 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.43 3fa3 h VAL 54 Cb 1.95 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 34.34 3fa3 h VAL 54 CO 0.23 0.45 -1.59 1.41 0.02 0.00 0.00 177.57 178.09 3fa3 n HIS 55 N -4.71 0.00 -1.78 1.57 8.25 -1.00 -5.04 115.22 112.51 3fa3 n HIS 55 Ca -0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.35 3fa3 n HIS 55 Cb 0.37 -0.35 0.01 0.00 1.12 0.00 0.00 29.99 31.14 3fa3 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 56 N 2.01 0.60 3.13 -1.41 0.00 -0.33 -5.02 105.19 104.17 3fa3 n GLY 56 Ca -0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa3 s GLN 57 N -3.25 0.50 1.17 1.61 2.00 -1.14 -4.96 119.66 115.60 3fa3 s GLN 57 Ca 0.07 -0.29 -0.14 0.00 -2.00 0.00 0.00 55.36 52.99 3fa3 s GLN 57 Cb -0.01 0.22 0.28 0.00 0.80 0.00 0.00 33.01 34.30 3fa3 s GLN 57 CO 0.11 -0.12 1.03 0.00 -0.50 0.00 0.00 175.29 175.81 3fa3 s ALA 58 N -1.24 -0.28 -1.27 1.58 0.00 -1.26 -3.12 121.76 116.17 3fa3 s ALA 58 Ca -0.13 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.37 3fa3 s ALA 58 Cb -0.07 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.02 3fa3 s ALA 58 CO 0.02 -3.78 1.65 -3.47 0.00 0.00 0.00 175.76 170.19 3fa3 n ASP 59 N -4.88 5.02 -2.64 0.00 4.64 -1.26 -4.73 116.55 112.70 3fa3 n ASP 59 Ca 0.04 -2.97 -0.17 0.00 -1.38 0.00 0.00 54.79 50.31 3fa3 n ASP 59 Cb 0.56 -1.62 0.01 0.00 -1.04 0.00 0.00 41.12 39.03 3fa3 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fa3 n LEU 60 N 6.19 2.75 -0.02 -2.67 4.77 -1.26 -1.02 117.00 125.75 3fa3 n LEU 60 Ca 0.42 -4.44 -0.00 0.00 -0.03 0.00 0.00 56.01 51.96 3fa3 n LEU 60 Cb 0.42 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3fa3 n LEU 60 CO 0.72 1.89 -0.00 0.61 -1.33 0.00 0.00 177.39 179.28 3fa3 n GLY 61 N -0.20 0.13 0.21 -0.72 0.00 0.19 -4.76 105.19 100.04 3fa3 n GLY 61 Ca 0.22 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 3fa3 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa3 h ILE 62 N 0.00 0.97 -3.61 -0.61 1.08 -1.86 -3.44 117.51 110.04 3fa3 h ILE 62 Ca -0.01 -1.08 -0.52 0.00 -0.39 0.00 0.00 64.86 62.87 3fa3 h ILE 62 Cb 0.80 1.62 0.03 0.00 -3.07 0.00 0.00 36.82 36.20 3fa3 h ILE 62 CO 0.01 0.28 0.56 0.00 -0.69 0.00 0.00 178.15 178.31 3fa3 s THR 64 N -0.46 3.62 0.22 0.00 -1.32 -1.26 -4.91 115.64 111.53 3fa3 s THR 64 Ca 0.51 -1.60 -0.08 0.00 -1.21 0.00 0.00 61.69 59.31 3fa3 s THR 64 Cb -0.34 -3.11 0.18 0.00 -1.51 0.00 0.00 72.50 67.73 3fa3 s THR 64 CO 0.40 -0.27 1.71 0.25 -2.21 0.00 0.00 174.62 174.50 3fa3 h LEU 65 N 1.55 0.07 -1.20 9.08 5.85 -1.96 0.37 115.31 129.07 3fa3 h LEU 65 Ca -0.45 0.11 0.21 0.00 0.84 0.00 0.00 57.88 58.60 3fa3 h LEU 65 Cb 1.25 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.32 3fa3 h LEU 65 CO 0.61 0.03 0.62 0.78 -0.34 0.00 0.00 178.44 180.14 3fa3 h ASN 66 N 0.31 0.62 0.00 1.25 4.21 -1.98 0.49 115.58 120.47 3fa3 h ASN 66 Ca 0.35 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.93 3fa3 h ASN 66 Cb 0.53 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3fa3 h ASN 66 CO -0.41 0.20 -0.11 0.44 -1.29 0.00 0.00 177.43 176.26 3fa3 h ASP 67 N 0.59 0.00 -0.59 5.81 3.32 -0.92 -2.58 116.42 122.06 3fa3 h ASP 67 Ca 0.56 -0.72 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3fa3 h ASP 67 Cb 1.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3fa3 h ASP 67 CO -0.32 0.92 0.39 0.24 -1.72 0.00 0.00 179.24 178.75 3fa3 h MET 68 N -1.00 0.77 0.02 3.56 2.86 -0.24 -2.87 114.93 118.03 3fa3 h MET 68 Ca -0.03 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3fa3 h MET 68 Cb 0.79 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.28 3fa3 h MET 68 CO -0.02 0.51 -0.24 -0.09 1.06 0.00 0.00 176.91 178.13 3fa3 h ARG 69 N 0.79 0.12 -0.84 1.72 1.12 -0.10 -0.97 114.38 116.22 3fa3 h ARG 69 Ca 0.21 -0.17 0.19 0.00 -1.11 0.00 0.00 59.98 59.11 3fa3 h ARG 69 Cb -0.09 0.05 -0.11 0.00 -0.01 0.00 0.00 29.97 29.81 3fa3 h ARG 69 CO -0.05 0.99 0.35 0.00 -3.11 0.00 0.00 179.97 178.15 3fa3 h ALA 70 N 0.14 1.27 -0.12 2.80 0.00 -1.50 -0.33 119.26 121.52 3fa3 h ALA 70 Ca -0.04 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3fa3 h ALA 70 Cb 1.09 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fa3 h ALA 70 CO 0.05 -0.28 -0.04 -0.97 0.00 0.00 0.00 179.25 178.01 3fa3 h ASN 71 N 0.42 0.25 -0.85 0.00 -1.24 -1.50 -2.47 115.58 110.19 3fa3 h ASN 71 Ca 0.50 -0.38 0.09 0.00 0.71 0.00 0.00 56.30 57.22 3fa3 h ASN 71 Cb 0.87 -0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.78 3fa3 h ASN 71 CO -0.48 0.57 0.50 0.00 -1.29 0.00 0.00 177.43 176.73 3fa3 h ALA 72 N 0.69 1.20 -0.12 1.57 0.00 -0.49 -1.58 119.26 120.53 3fa3 h ALA 72 Ca 0.03 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3fa3 h ALA 72 Cb 0.47 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3fa3 h ALA 72 CO 0.01 0.15 -0.83 1.49 0.00 0.00 0.00 179.25 180.07 3fa3 h GLU 73 N 0.85 0.75 -0.46 0.00 4.81 -1.07 0.16 114.58 119.61 3fa3 h GLU 73 Ca 0.40 -0.65 -0.09 0.00 -0.13 0.00 0.00 59.36 58.90 3fa3 h GLU 73 Cb 0.33 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3fa3 h GLU 73 CO -0.23 1.25 -0.05 0.00 -0.73 0.00 0.00 179.01 179.25 3fa3 h MET 74 N 0.49 0.85 -0.06 1.92 -0.00 -1.28 -2.92 114.93 113.93 3fa3 h MET 74 Ca -0.07 -0.30 -0.00 0.00 -0.00 0.00 0.00 59.70 59.33 3fa3 h MET 74 Cb 1.46 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 33.00 3fa3 h MET 74 CO 0.17 0.93 0.02 0.82 -0.00 0.00 0.00 176.91 178.85 3fa3 h ILE 75 N 0.69 1.13 0.00 -0.10 2.04 -1.13 -2.87 117.51 117.28 3fa3 h ILE 75 Ca 0.12 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3fa3 h ILE 75 Cb 0.58 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3fa3 h ILE 75 CO 0.03 0.11 0.20 0.28 0.00 0.00 0.00 178.15 178.78 3fa3 h SER 76 N -0.06 0.00 -0.01 1.72 0.02 -0.59 -3.04 113.55 111.59 3fa3 h SER 76 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fa3 h SER 76 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3fa3 h SER 76 CO -0.00 0.00 -0.01 0.59 -1.14 0.00 0.00 176.83 176.27 3fa3 n ASN 77 N -2.66 1.37 -0.12 3.07 3.02 -1.09 -3.56 115.26 115.29 3fa3 n ASN 77 Ca -0.02 -1.18 -0.10 0.00 -0.03 0.00 0.00 54.58 53.24 3fa3 n ASN 77 Cb 0.25 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 3fa3 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa3 h ILE 78 N 0.97 1.24 -2.78 2.41 2.04 -1.40 -3.35 117.51 116.62 3fa3 h ILE 78 Ca 0.00 -0.84 -0.61 0.00 1.00 0.00 0.00 64.86 64.41 3fa3 h ILE 78 Cb 0.21 1.10 -0.41 0.00 -0.74 0.00 0.00 36.82 36.99 3fa3 h ILE 78 CO 0.00 0.28 -0.72 -0.24 0.00 0.00 0.00 178.15 177.47 3fa3 n SER 79 N -4.57 1.86 -0.29 1.72 2.88 -1.26 -5.00 113.62 108.95 3fa3 n SER 79 Ca -0.01 -2.94 0.27 0.00 -1.33 0.00 0.00 58.87 54.86 3fa3 n SER 79 Cb 0.22 -0.69 0.48 0.00 -0.75 0.00 0.00 64.21 63.48 3fa3 n SER 79 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3fa3 n PRO 80 N 2.17 -0.04 0.00 -1.46 -0.02 -1.23 -0.96 135.00 133.46 3fa3 n PRO 80 Ca 0.24 1.03 0.14 0.00 -2.02 0.00 0.00 63.50 62.88 3fa3 n PRO 80 Cb 0.40 -1.91 0.47 0.00 -0.02 0.00 0.00 33.50 32.44 3fa3 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fa3 n SER 81 N -4.55 1.37 -4.64 2.55 3.41 -1.26 -4.19 113.62 106.31 3fa3 n SER 81 Ca 0.30 -1.31 -0.40 0.00 -0.26 0.00 0.00 58.87 57.20 3fa3 n SER 81 Cb 1.08 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 65.01 3fa3 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa3 s THR 82 N -2.16 5.01 0.50 6.66 2.01 -0.14 -4.90 115.64 122.63 3fa3 s THR 82 Ca 0.33 1.13 -0.23 0.00 0.31 0.00 0.00 61.69 63.23 3fa3 s THR 82 Cb 0.20 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 3fa3 s THR 82 CO 0.39 0.07 1.27 -2.65 -0.69 0.00 0.00 174.62 173.01 3fa3 n PRO 83 N 5.41 1.69 -4.64 4.92 -0.02 -1.26 -4.82 135.00 136.28 3fa3 n PRO 83 Ca -0.01 0.62 -0.26 0.00 -2.02 0.00 0.00 63.50 61.82 3fa3 n PRO 83 Cb 0.49 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 3fa3 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa3 s VAL 84 N -1.28 1.28 -0.43 -1.45 1.01 -1.26 -1.31 120.40 116.96 3fa3 s VAL 84 Ca 0.68 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 3fa3 s VAL 84 Cb -0.45 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 34.85 3fa3 s VAL 84 CO 0.53 0.39 0.28 -0.63 0.00 0.00 0.00 175.10 175.67 3fa3 s ILE 85 N 0.67 4.39 -0.11 2.22 1.01 0.44 -1.51 121.20 128.32 3fa3 s ILE 85 Ca -0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.12 3fa3 s ILE 85 Cb -0.16 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 3fa3 s ILE 85 CO 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 174.94 174.46 3fa3 s ALA 86 N 1.46 3.29 0.39 9.38 0.00 0.33 -1.10 121.76 135.51 3fa3 s ALA 86 Ca 0.03 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 3fa3 s ALA 86 Cb -0.23 -1.56 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 3fa3 s ALA 86 CO 0.03 0.49 1.46 0.34 0.00 0.00 0.00 175.76 178.08 3fa3 s ASP 87 N -0.59 6.28 -0.04 0.00 -1.08 -0.76 -2.73 116.67 117.75 3fa3 s ASP 87 Ca 0.10 2.99 0.06 0.00 -0.52 0.00 0.00 52.55 55.18 3fa3 s ASP 87 Cb -0.12 -2.66 0.09 0.00 -1.46 0.00 0.00 42.92 38.76 3fa3 s ASP 87 CO 0.02 -0.91 0.97 0.00 0.52 0.00 0.00 175.17 175.77 3fa3 n ALA 88 N 0.34 1.93 -0.67 3.66 0.00 -0.88 -4.80 120.51 120.09 3fa3 n ALA 88 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.05 3fa3 n ALA 88 Cb 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3fa3 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 89 N -0.47 0.00 -0.49 0.00 10.43 -1.23 -1.35 116.55 123.45 3fa3 n ASP 89 Ca 0.05 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.45 3fa3 n ASP 89 Cb 0.61 0.00 0.11 0.00 1.84 0.00 0.00 41.12 43.68 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3fa3 n THR 90 N 0.00 0.81 -0.01 -3.53 -2.24 -1.26 -1.77 114.28 106.29 3fa3 n THR 90 Ca 0.00 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3fa3 n THR 90 Cb 0.00 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3fa3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa3 n GLY 91 N 0.35 0.36 2.42 3.38 0.00 -0.46 -4.57 105.19 106.68 3fa3 n GLY 91 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3fa3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa3 n TYR 92 N -2.00 0.00 -1.21 1.61 4.02 -1.26 -3.03 117.16 115.29 3fa3 n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa3 n TYR 92 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 39.34 37.79 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa3 n GLY 93 N -1.28 -0.51 0.76 2.72 0.00 -1.26 -4.93 105.19 100.69 3fa3 n GLY 93 Ca -0.05 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 3fa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 94 N 0.00 -1.74 0.34 -0.02 0.00 -1.26 -4.48 105.19 98.02 3fa3 n GLY 94 Ca 0.00 -1.59 0.20 0.00 0.00 0.00 0.00 46.02 44.64 3fa3 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 95 N 0.00 0.40 0.00 1.61 0.11 -1.96 0.21 132.00 132.37 3fa3 h PRO 95 Ca -0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3fa3 h PRO 95 Cb 0.25 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3fa3 h PRO 95 CO 0.06 0.26 -0.05 0.82 -0.21 0.00 0.00 178.00 178.88 3fa3 h ILE 96 N 0.41 0.79 0.00 4.15 2.04 -1.98 -0.86 117.51 122.06 3fa3 h ILE 96 Ca 0.68 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 66.20 3fa3 h ILE 96 Cb 1.45 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3fa3 h ILE 96 CO -0.56 0.05 -0.90 0.24 0.00 0.00 0.00 178.15 176.98 3fa3 h MET 97 N 0.00 0.00 -1.11 2.37 2.86 -1.02 -3.00 114.93 115.03 3fa3 h MET 97 Ca -0.00 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.98 3fa3 h MET 97 Cb 0.10 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.63 3fa3 h MET 97 CO 0.01 0.91 0.68 0.28 1.06 0.00 0.00 176.91 179.84 3fa3 h VAL 98 N -1.00 0.30 0.33 -2.22 2.07 -0.66 -0.86 116.25 114.20 3fa3 h VAL 98 Ca -0.24 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3fa3 h VAL 98 Cb 1.15 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3fa3 h VAL 98 CO -0.14 0.05 -0.36 0.00 0.02 0.00 0.00 177.57 177.13 3fa3 h ALA 99 N 1.72 -1.02 0.00 1.67 0.00 -1.22 -1.97 119.26 118.45 3fa3 h ALA 99 Ca 0.73 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 3fa3 h ALA 99 Cb 1.90 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 20.30 3fa3 h ALA 99 CO -0.48 -1.05 -0.13 0.00 0.00 0.00 0.00 179.25 177.60 3fa3 h ARG 100 N -0.69 0.00 -0.15 0.00 3.08 -1.19 0.13 114.38 115.56 3fa3 h ARG 100 Ca -0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3fa3 h ARG 100 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3fa3 h ARG 100 CO -0.06 0.13 -0.10 1.15 -1.07 0.00 0.00 179.97 180.01 3fa3 h THR 101 N 0.00 1.33 -0.61 2.04 2.02 -1.10 -0.78 112.91 115.81 3fa3 h THR 101 Ca -0.00 -1.19 -0.08 0.00 0.77 0.00 0.00 66.41 65.90 3fa3 h THR 101 Cb 0.24 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3fa3 h THR 101 CO 0.02 0.35 0.05 0.74 0.37 0.00 0.00 175.52 177.05 3fa3 h THR 102 N -0.02 1.26 0.67 3.16 2.02 -0.55 -1.06 112.91 118.40 3fa3 h THR 102 Ca 0.03 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 3fa3 h THR 102 Cb 0.60 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3fa3 h THR 102 CO 0.03 0.39 -0.32 -0.33 0.37 0.00 0.00 175.52 175.66 3fa3 h GLU 103 N 0.96 -0.87 -0.79 6.66 5.08 -0.80 -2.38 114.58 122.45 3fa3 h GLU 103 Ca 0.18 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.78 3fa3 h GLU 103 Cb 0.48 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 29.79 3fa3 h GLU 103 CO 0.02 -0.54 -0.08 1.96 -1.00 0.00 0.00 179.01 179.36 3fa3 h GLN 104 N -1.11 0.05 -0.15 2.33 4.20 -1.15 -0.69 115.11 118.59 3fa3 h GLN 104 Ca -0.09 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 3fa3 h GLN 104 Cb 0.73 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3fa3 h GLN 104 CO 0.15 0.03 -0.63 1.88 -0.67 0.00 0.00 178.83 179.59 3fa3 h TYR 105 N 0.05 0.68 0.10 2.96 -1.99 -1.03 0.05 116.97 117.78 3fa3 h TYR 105 Ca 0.41 -0.27 0.01 0.00 2.00 0.00 0.00 58.73 60.89 3fa3 h TYR 105 Cb 0.71 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 3fa3 h TYR 105 CO -0.52 1.01 -0.34 0.77 -0.00 0.00 0.00 178.16 179.09 3fa3 h SER 106 N 0.39 -1.01 -0.20 3.88 0.02 -0.82 -1.39 113.55 114.41 3fa3 h SER 106 Ca -0.01 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3fa3 h SER 106 Cb 1.19 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 3fa3 h SER 106 CO 0.12 -0.36 0.33 0.03 -1.14 0.00 0.00 176.83 175.80 3fa3 h ARG 107 N -0.50 0.00 0.00 3.45 3.08 -0.55 0.27 114.38 120.12 3fa3 h ARG 107 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fa3 h ARG 107 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3fa3 h ARG 107 CO -0.17 0.00 -0.32 0.43 -1.07 0.00 0.00 179.97 178.84 3fa3 n SER 108 N -3.43 0.40 0.00 7.04 7.64 -0.05 -4.91 113.62 120.31 3fa3 n SER 108 Ca 0.02 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3fa3 n SER 108 Cb 0.45 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3fa3 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fa3 n GLY 109 N 1.46 0.65 3.77 0.23 0.00 0.93 -4.68 105.19 107.55 3fa3 n GLY 109 Ca 0.06 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3fa3 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 110 N -2.00 2.41 -0.03 1.61 1.01 -0.58 -4.49 120.40 118.33 3fa3 s VAL 110 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 3fa3 s VAL 110 Cb 0.00 -3.25 -0.32 0.00 0.00 0.00 0.00 36.38 32.81 3fa3 s VAL 110 CO 0.00 0.09 0.90 0.00 0.00 0.00 0.00 175.10 176.08 3fa3 h ALA 111 N 3.61 -0.09 -2.56 5.51 0.00 -1.60 -3.39 119.26 120.75 3fa3 h ALA 111 Ca -0.49 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 53.55 3fa3 h ALA 111 Cb 1.23 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 3fa3 h ALA 111 CO 0.68 0.50 -0.26 0.00 0.00 0.00 0.00 179.25 180.16 3fa3 s ALA 112 N -2.48 -0.64 0.18 0.00 0.00 -0.88 -0.76 121.76 117.18 3fa3 s ALA 112 Ca -0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 3fa3 s ALA 112 Cb 0.02 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3fa3 s ALA 112 CO 0.86 -0.41 0.10 -0.59 0.00 0.00 0.00 175.76 175.72 3fa3 s PHE 113 N -2.56 1.08 0.09 0.00 -0.12 -0.63 -0.52 117.98 115.32 3fa3 s PHE 113 Ca -0.05 -1.32 0.08 0.00 -0.05 0.00 0.00 56.93 55.59 3fa3 s PHE 113 Cb -0.01 -0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 3fa3 s PHE 113 CO -0.03 -0.58 -0.19 -3.38 -0.05 0.00 0.00 175.22 170.98 3fa3 s HIS 114 N -4.10 1.67 -0.04 3.49 -3.43 -1.11 -1.80 115.29 109.99 3fa3 s HIS 114 Ca 0.34 -0.42 0.01 0.00 -0.80 0.00 0.00 55.06 54.18 3fa3 s HIS 114 Cb 0.07 -0.93 0.02 0.00 -1.43 0.00 0.00 32.58 30.32 3fa3 s HIS 114 CO 0.09 0.17 -0.03 0.42 -2.00 0.00 0.00 174.74 173.39 3fa3 s ILE 115 N -1.15 0.39 0.00 -5.38 1.01 -0.64 -2.07 121.20 113.36 3fa3 s ILE 115 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3fa3 s ILE 115 Cb -0.10 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3fa3 s ILE 115 CO 0.04 0.19 0.00 -1.84 0.00 0.00 0.00 174.94 173.33 3fa3 n GLU 116 N 4.09 1.46 -0.24 2.79 0.28 -0.73 -0.68 120.64 127.62 3fa3 n GLU 116 Ca -0.25 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 56.82 3fa3 n GLU 116 Cb 0.51 0.00 0.11 0.00 1.43 0.00 0.00 31.44 33.49 3fa3 n GLU 116 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fa3 n ASP 117 N -2.26 1.76 -4.02 -1.84 5.68 -1.26 -4.85 116.55 109.76 3fa3 n ASP 117 Ca 0.00 -2.89 -0.30 0.00 -0.50 0.00 0.00 54.79 51.11 3fa3 n ASP 117 Cb 0.00 -0.38 0.23 0.00 -1.14 0.00 0.00 41.12 39.82 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3fa3 s GLN 118 N -2.21 -0.86 0.91 0.11 -0.21 -1.26 -2.45 119.66 113.69 3fa3 s GLN 118 Ca 0.26 0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.58 3fa3 s GLN 118 Cb 0.23 -1.63 0.14 0.00 1.00 0.00 0.00 33.01 32.75 3fa3 s GLN 118 CO 0.01 -3.50 1.12 0.14 -2.12 0.00 0.00 175.29 170.94 3fa3 s VAL 119 N -2.99 2.21 0.48 1.09 -7.23 -0.93 -4.59 120.40 108.43 3fa3 s VAL 119 Ca 0.70 0.07 0.17 0.00 -1.81 0.00 0.00 61.98 61.10 3fa3 s VAL 119 Cb -0.12 -2.74 0.23 0.00 0.56 0.00 0.00 36.38 34.31 3fa3 s VAL 119 CO 0.56 -0.09 2.07 -0.61 -0.31 0.00 0.00 175.10 176.72 3fa3 h GLN 120 N -1.54 0.00 -2.45 4.82 4.15 -1.95 -1.67 115.11 116.47 3fa3 h GLN 120 Ca -0.51 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.38 3fa3 h GLN 120 Cb 1.32 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.94 3fa3 h GLN 120 CO 0.60 0.10 1.73 0.25 -1.93 0.00 0.00 178.83 179.58 3fa3 n THR 121 N -4.33 4.01 -1.15 2.39 -2.24 -1.26 -4.82 114.28 106.87 3fa3 n THR 121 Ca -0.03 -2.80 -0.36 0.00 -2.27 0.00 0.00 64.05 58.60 3fa3 n THR 121 Cb 0.18 -2.13 0.06 0.00 -2.10 0.00 0.00 70.33 66.34 3fa3 n THR 121 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3fa3 n LYS 122 N 2.32 0.12 -4.45 -0.78 -0.00 -0.63 -4.67 118.16 110.07 3fa3 n LYS 122 Ca 0.60 0.07 -0.22 0.00 -0.00 0.00 0.00 58.31 58.75 3fa3 n LYS 122 Cb 0.48 -1.53 -0.10 0.00 -0.00 0.00 0.00 35.03 33.87 3fa3 n LYS 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3fa3 s ARG 123 N -2.41 1.60 0.11 -1.58 1.70 -1.26 -0.63 118.95 116.46 3fa3 s ARG 123 Ca 0.58 -1.77 -0.34 0.00 -0.47 0.00 0.00 55.73 53.73 3fa3 s ARG 123 Cb -0.33 -1.44 -0.13 0.00 -0.57 0.00 0.00 34.95 32.48 3fa3 s ARG 123 CO 0.65 0.18 1.66 0.00 -1.08 0.00 0.00 175.30 176.71 3fa3 h GLY 125 N 6.83 0.00 0.28 0.00 0.00 -1.99 -0.66 103.07 107.52 3fa3 h GLY 125 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3fa3 h GLY 125 CO 0.91 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.87 3fa3 n HIS 126 N -2.77 0.02 -2.18 5.60 8.25 -1.26 -4.81 115.22 118.07 3fa3 n HIS 126 Ca -0.02 -0.01 -0.31 0.00 -0.26 0.00 0.00 57.72 57.12 3fa3 n HIS 126 Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 3fa3 n HIS 126 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fa3 s LEU 127 N -1.92 3.43 0.55 2.41 1.43 -0.26 -4.77 118.68 119.55 3fa3 s LEU 127 Ca 0.41 1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 54.80 3fa3 s LEU 127 Cb 0.20 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 3fa3 s LEU 127 CO 0.33 -0.72 0.88 0.00 0.23 0.00 0.00 176.35 177.07 3fa3 s ALA 128 N -2.92 3.30 0.00 4.21 0.00 -1.26 -4.48 121.76 120.60 3fa3 s ALA 128 Ca 0.54 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3fa3 s ALA 128 Cb -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3fa3 s ALA 128 CO 0.46 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3fa3 n GLY 129 N -2.48 0.50 3.68 0.00 0.00 -1.26 -5.04 105.19 100.59 3fa3 n GLY 129 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fa3 n LYS 130 N -1.58 2.48 -4.44 1.61 5.02 -1.26 -4.96 118.16 115.02 3fa3 n LYS 130 Ca 0.00 0.90 -0.34 0.00 -2.02 0.00 0.00 58.31 56.85 3fa3 n LYS 130 Cb 0.00 -2.75 -0.14 0.00 -0.02 0.00 0.00 35.03 32.12 3fa3 n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fa3 s ILE 131 N 2.54 3.17 0.00 -0.18 -1.09 -1.26 -4.90 121.20 119.48 3fa3 s ILE 131 Ca 0.84 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 3fa3 s ILE 131 Cb -0.58 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 3fa3 s ILE 131 CO 0.41 0.49 0.00 0.18 -1.23 0.00 0.00 174.94 174.79 3fa3 n LEU 132 N 3.97 0.00 -3.83 2.97 4.77 -1.26 -2.20 117.00 121.42 3fa3 n LEU 132 Ca -0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 3fa3 n LEU 132 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3fa3 n LEU 132 CO 0.30 0.00 -0.10 -0.69 -1.33 0.00 0.00 177.39 175.57 3fa3 s VAL 133 N 1.64 0.07 0.97 4.08 1.01 -1.03 -4.28 120.40 122.86 3fa3 s VAL 133 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3fa3 s VAL 133 Cb 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 36.38 36.06 3fa3 s VAL 133 CO 0.00 -0.33 1.12 1.51 0.00 0.00 0.00 175.10 177.40 3fa3 s ASP 134 N -1.34 2.51 0.14 3.32 3.84 -1.26 -4.82 116.67 119.07 3fa3 s ASP 134 Ca -0.14 2.05 -0.22 0.00 -0.00 0.00 0.00 52.55 54.24 3fa3 s ASP 134 Cb -0.07 -2.52 0.02 0.00 -1.38 0.00 0.00 42.92 38.97 3fa3 s ASP 134 CO 0.03 -3.34 1.64 0.74 -0.00 0.00 0.00 175.17 174.24 3fa3 h THR 135 N -2.03 0.46 0.05 2.11 2.02 -2.00 -2.79 112.91 110.73 3fa3 h THR 135 Ca -0.47 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.74 3fa3 h THR 135 Cb 1.28 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 3fa3 h THR 135 CO 0.43 0.00 -0.37 0.44 0.37 0.00 0.00 175.52 176.40 3fa3 h ASP 136 N -0.22 -1.09 -0.42 4.18 5.19 -1.99 -0.88 116.42 121.19 3fa3 h ASP 136 Ca 0.12 0.13 0.12 0.00 -0.62 0.00 0.00 57.03 56.79 3fa3 h ASP 136 Cb 0.41 0.42 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 3fa3 h ASP 136 CO -0.34 -0.43 0.32 0.74 -3.12 0.00 0.00 179.24 176.41 3fa3 h THR 137 N -0.56 0.70 0.00 0.35 2.02 -1.88 0.72 112.91 114.26 3fa3 h THR 137 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3fa3 h THR 137 Cb 0.62 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3fa3 h THR 137 CO -0.26 0.00 -0.20 0.22 0.37 0.00 0.00 175.52 175.65 3fa3 h TYR 138 N 0.00 0.00 -0.60 3.16 3.20 -1.16 -3.21 116.97 118.36 3fa3 h TYR 138 Ca 0.20 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.24 3fa3 h TYR 138 Cb 0.85 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 3fa3 h TYR 138 CO 0.00 1.05 0.43 0.28 -1.64 0.00 0.00 178.16 178.28 3fa3 h VAL 139 N -1.00 0.72 -0.57 1.81 2.07 -0.52 1.42 116.25 120.17 3fa3 h VAL 139 Ca -0.05 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3fa3 h VAL 139 Cb 1.03 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3fa3 h VAL 139 CO -0.03 0.01 0.38 0.74 0.02 0.00 0.00 177.57 178.68 3fa3 h THR 140 N 0.04 1.10 0.01 2.57 2.02 -0.93 0.10 112.91 117.82 3fa3 h THR 140 Ca 0.29 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 67.10 3fa3 h THR 140 Cb 1.09 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3fa3 h THR 140 CO -0.01 0.13 -0.48 0.03 0.37 0.00 0.00 175.52 175.56 3fa3 h ARG 141 N 0.71 0.30 -0.06 6.66 3.08 0.19 -1.07 114.38 124.18 3fa3 h ARG 141 Ca 0.22 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3fa3 h ARG 141 Cb 0.02 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3fa3 h ARG 141 CO -0.06 1.05 0.04 0.82 -1.07 0.00 0.00 179.97 180.75 3fa3 h ILE 142 N -0.30 1.07 -0.94 2.04 1.08 -1.08 -0.97 117.51 118.41 3fa3 h ILE 142 Ca -0.06 -0.19 0.12 0.00 -0.39 0.00 0.00 64.86 64.33 3fa3 h ILE 142 Cb 1.23 1.09 -0.07 0.00 -3.07 0.00 0.00 36.82 35.99 3fa3 h ILE 142 CO 0.09 0.06 0.60 -0.09 -0.69 0.00 0.00 178.15 178.12 3fa3 h ARG 143 N 0.02 0.86 -0.46 2.37 2.43 -0.82 -2.06 114.38 116.73 3fa3 h ARG 143 Ca 0.02 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3fa3 h ARG 143 Cb 0.06 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3fa3 h ARG 143 CO -0.00 0.57 0.26 0.00 -1.51 0.00 0.00 179.97 179.28 3fa3 h ALA 144 N 1.56 0.58 -0.13 2.80 0.00 -0.29 -2.15 119.26 121.62 3fa3 h ALA 144 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3fa3 h ALA 144 Cb 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fa3 h ALA 144 CO -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.96 3fa3 h ALA 145 N 1.22 0.18 -0.39 0.00 0.00 -0.56 -0.16 119.26 119.55 3fa3 h ALA 145 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 145 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fa3 h ALA 145 CO -0.10 -0.13 0.25 -0.39 0.00 0.00 0.00 179.25 178.88 3fa3 h VAL 146 N -0.03 1.11 -0.04 0.00 -1.51 -1.45 -0.93 116.25 113.39 3fa3 h VAL 146 Ca 0.04 -0.21 -0.07 0.00 -1.23 0.00 0.00 66.70 65.23 3fa3 h VAL 146 Cb 0.36 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 3fa3 h VAL 146 CO 0.01 0.10 -0.23 1.56 -1.23 0.00 0.00 177.57 177.78 3fa3 h GLN 147 N 0.53 0.23 -0.62 5.19 4.20 -1.05 -3.03 115.11 120.57 3fa3 h GLN 147 Ca 0.14 -0.19 0.06 0.00 0.06 0.00 0.00 58.65 58.72 3fa3 h GLN 147 Cb -0.05 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3fa3 h GLN 147 CO -0.03 0.85 0.41 0.00 -0.67 0.00 0.00 178.83 179.39 3fa3 h ALA 148 N 0.38 1.81 0.27 3.87 0.00 -0.91 0.34 119.26 125.02 3fa3 h ALA 148 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 148 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3fa3 h ALA 148 CO 0.05 0.09 -0.22 0.00 0.00 0.00 0.00 179.25 179.17 3fa3 h ARG 149 N 0.59 -0.48 0.00 0.00 3.08 -1.20 -3.14 114.38 113.24 3fa3 h ARG 149 Ca 0.27 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3fa3 h ARG 149 Cb 0.29 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3fa3 h ARG 149 CO -0.08 -0.32 -1.05 0.00 -1.07 0.00 0.00 179.97 177.45 3fa3 n GLN 150 N -5.34 0.52 -0.22 0.04 10.64 -0.99 -1.23 117.38 120.80 3fa3 n GLN 150 Ca -0.09 0.07 0.22 0.00 -1.83 0.00 0.00 57.00 55.36 3fa3 n GLN 150 Cb 0.25 -1.74 0.57 0.00 -0.86 0.00 0.00 30.24 28.46 3fa3 n GLN 150 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 3fa3 h ARG 151 N 0.00 0.28 -0.14 2.61 2.43 -0.36 -3.02 114.38 116.18 3fa3 h ARG 151 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3fa3 h ARG 151 Cb 0.92 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3fa3 h ARG 151 CO 0.00 0.19 0.00 0.44 -1.51 0.00 0.00 179.97 179.09 3fa3 n ILE 152 N -4.45 0.42 -0.91 1.20 -5.35 -1.01 -4.99 119.36 104.27 3fa3 n ILE 152 Ca 0.19 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3fa3 n ILE 152 Cb 0.76 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 3fa3 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa3 n GLY 153 N 0.48 0.52 3.74 3.28 0.00 -0.63 -4.99 105.19 107.59 3fa3 n GLY 153 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3fa3 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa3 s SER 154 N -2.36 6.65 -0.02 1.61 0.15 -0.36 -4.90 113.70 114.46 3fa3 s SER 154 Ca 0.00 2.66 0.08 0.00 0.70 0.00 0.00 55.95 59.39 3fa3 s SER 154 Cb 0.00 -2.62 0.26 0.00 -1.71 0.00 0.00 66.02 61.95 3fa3 s SER 154 CO 0.00 -0.72 1.15 0.47 1.20 0.00 0.00 173.24 175.34 3fa3 n ASP 155 N 2.55 1.81 -4.66 5.45 8.00 -1.26 -4.55 116.55 123.88 3fa3 n ASP 155 Ca 0.08 -2.08 -0.40 0.00 0.71 0.00 0.00 54.79 53.09 3fa3 n ASP 155 Cb 0.40 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ILE 156 N 0.30 2.77 -3.32 0.53 3.06 -1.26 -4.43 119.36 117.01 3fa3 n ILE 156 Ca 0.10 -0.50 -0.38 0.00 -2.50 0.00 0.00 62.75 59.47 3fa3 n ILE 156 Cb 0.33 -1.38 -0.06 0.00 0.54 0.00 0.00 39.64 39.07 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N -1.27 5.19 -0.24 9.51 1.01 0.06 -5.00 120.40 129.66 3fa3 s VAL 157 Ca 0.65 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 3fa3 s VAL 157 Cb -0.51 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3fa3 s VAL 157 CO 0.55 0.31 0.07 -0.69 0.00 0.00 0.00 175.10 175.35 3fa3 s VAL 158 N 0.73 4.38 -0.26 2.92 1.01 -1.26 -1.60 120.40 126.32 3fa3 s VAL 158 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3fa3 s VAL 158 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3fa3 s VAL 158 CO 0.10 0.35 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 3fa3 s ILE 159 N 1.45 3.62 -0.61 2.22 1.01 -0.74 -0.48 121.20 127.67 3fa3 s ILE 159 Ca 0.06 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 3fa3 s ILE 159 Cb -0.15 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.61 3fa3 s ILE 159 CO 0.04 0.24 0.91 0.00 0.00 0.00 0.00 174.94 176.13 3fa3 s ALA 160 N 1.48 3.17 0.77 9.38 0.00 0.87 -1.62 121.76 135.80 3fa3 s ALA 160 Ca 0.04 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 3fa3 s ALA 160 Cb -0.16 -3.76 0.05 0.00 0.00 0.00 0.00 23.12 19.26 3fa3 s ALA 160 CO -0.00 -2.57 1.08 0.50 0.00 0.00 0.00 175.76 174.77 3fa3 s ARG 161 N 3.82 2.34 -0.14 0.00 3.52 0.15 -1.32 118.95 127.32 3fa3 s ARG 161 Ca 0.23 0.92 -0.07 0.00 -0.13 0.00 0.00 55.73 56.68 3fa3 s ARG 161 Cb -0.16 -1.92 0.05 0.00 -1.56 0.00 0.00 34.95 31.36 3fa3 s ARG 161 CO 0.13 -1.51 0.33 -0.08 -0.81 0.00 0.00 175.30 173.35 3fa3 s THR 162 N -3.02 -0.05 -0.42 4.11 -1.32 -0.41 -4.36 115.64 110.18 3fa3 s THR 162 Ca 0.60 0.12 0.14 0.00 -1.21 0.00 0.00 61.69 61.35 3fa3 s THR 162 Cb -0.15 -0.50 0.43 0.00 -1.51 0.00 0.00 72.50 70.77 3fa3 s THR 162 CO 0.55 0.05 1.34 0.47 -2.21 0.00 0.00 174.62 174.83 3fa3 n ASP 163 N 4.28 3.45 0.14 8.08 10.43 -1.26 -1.82 116.55 139.86 3fa3 n ASP 163 Ca -0.24 -2.65 0.13 0.00 2.57 0.00 0.00 54.79 54.59 3fa3 n ASP 163 Cb 0.54 -0.42 0.30 0.00 1.84 0.00 0.00 41.12 43.38 3fa3 n ASP 163 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3fa3 h SER 164 N 1.75 0.00 -1.00 -2.24 4.64 -1.96 -3.37 113.55 111.38 3fa3 h SER 164 Ca 0.00 -0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.49 3fa3 h SER 164 Cb 1.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 3fa3 h SER 164 CO 0.13 0.01 0.60 0.25 -0.87 0.00 0.00 176.83 176.95 3fa3 h LEU 165 N 0.00 0.77 -0.01 5.97 5.85 -1.83 1.83 115.31 127.89 3fa3 h LEU 165 Ca 0.00 0.10 -0.27 0.00 0.84 0.00 0.00 57.88 58.55 3fa3 h LEU 165 Cb 0.84 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.85 3fa3 h LEU 165 CO 0.00 0.27 -1.08 0.06 -0.34 0.00 0.00 178.44 177.35 3fa3 h GLN 166 N 0.76 0.58 -0.20 1.25 3.07 -1.91 -1.50 115.11 117.16 3fa3 h GLN 166 Ca 0.57 -0.68 0.00 0.00 0.09 0.00 0.00 58.65 58.64 3fa3 h GLN 166 Cb 0.88 0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.65 3fa3 h GLN 166 CO -0.38 1.28 0.00 0.25 0.09 0.00 0.00 178.83 180.06 3fa3 n THR 167 N -3.79 1.25 0.00 1.86 -2.24 -0.72 -4.59 114.28 106.05 3fa3 n THR 167 Ca -0.10 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 3fa3 n THR 167 Cb 0.91 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3fa3 n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fa3 n HIS 168 N -0.11 0.00 -0.13 4.78 8.25 0.61 -5.07 115.22 123.55 3fa3 n HIS 168 Ca 0.10 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.57 3fa3 n HIS 168 Cb 0.45 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 3fa3 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 169 N 0.06 -2.09 0.35 -1.41 0.00 -0.56 -4.43 105.19 97.11 3fa3 n GLY 169 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N -0.13 -0.95 -0.92 1.61 3.20 -1.91 -2.57 116.97 115.29 3fa3 h TYR 170 Ca -0.01 0.08 0.14 0.00 3.14 0.00 0.00 58.73 62.07 3fa3 h TYR 170 Cb 0.13 0.51 -0.09 0.00 1.54 0.00 0.00 36.73 38.82 3fa3 h TYR 170 CO 0.00 -0.39 0.53 0.93 -1.64 0.00 0.00 178.16 177.60 3fa3 h GLU 171 N -0.15 0.77 0.34 1.82 4.39 -1.99 -0.53 114.58 119.22 3fa3 h GLU 171 Ca 0.24 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 3fa3 h GLU 171 Cb 0.56 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3fa3 h GLU 171 CO -0.71 0.51 -0.16 1.49 -1.16 0.00 0.00 179.01 178.98 3fa3 h GLU 172 N 0.79 -0.44 -0.23 2.33 4.57 -1.68 -2.51 114.58 117.40 3fa3 h GLU 172 Ca 0.48 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.72 3fa3 h GLU 172 Cb 0.60 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3fa3 h GLU 172 CO -0.32 -0.29 -0.10 0.43 -1.18 0.00 0.00 179.01 177.55 3fa3 n SER 173 N -4.70 -0.17 0.01 1.04 7.64 -1.00 0.11 113.62 116.56 3fa3 n SER 173 Ca -0.06 0.41 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 3fa3 n SER 173 Cb 0.18 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.21 3fa3 n SER 173 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3fa3 h VAL 174 N 0.00 1.22 -0.86 0.44 2.07 -1.12 -2.25 116.25 115.75 3fa3 h VAL 174 Ca 0.07 -0.70 0.21 0.00 0.82 0.00 0.00 66.70 67.11 3fa3 h VAL 174 Cb 0.13 1.69 -0.13 0.00 -1.52 0.00 0.00 31.29 31.47 3fa3 h VAL 174 CO -0.23 0.18 0.31 0.00 0.02 0.00 0.00 177.57 177.85 3fa3 h ALA 175 N 0.68 1.30 -0.36 1.67 0.00 0.13 0.79 119.26 123.46 3fa3 h ALA 175 Ca -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3fa3 h ALA 175 Cb 0.30 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3fa3 h ALA 175 CO 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 179.25 178.99 3fa3 h ARG 176 N 0.33 0.56 -0.30 0.00 3.08 -0.40 -2.65 114.38 115.01 3fa3 h ARG 176 Ca 0.53 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 3fa3 h ARG 176 Cb 1.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3fa3 h ARG 176 CO -0.55 0.58 0.11 -0.07 -1.07 0.00 0.00 179.97 178.96 3fa3 h LEU 177 N 0.43 0.43 -1.37 3.04 3.38 -0.47 0.15 115.31 120.90 3fa3 h LEU 177 Ca 0.12 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.00 3fa3 h LEU 177 Cb 0.25 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3fa3 h LEU 177 CO -0.00 0.50 0.51 0.03 0.09 0.00 0.00 178.44 179.57 3fa3 h ARG 178 N 0.33 0.68 0.00 1.13 3.08 -0.93 0.16 114.38 118.83 3fa3 h ARG 178 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3fa3 h ARG 178 Cb 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3fa3 h ARG 178 CO -0.01 0.45 -0.00 0.00 -1.07 0.00 0.00 179.97 179.34 3fa3 h ALA 179 N 1.61 -0.01 -0.97 0.04 0.00 -1.06 -2.14 119.26 116.73 3fa3 h ALA 179 Ca 0.36 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3fa3 h ALA 179 Cb 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.08 3fa3 h ALA 179 CO -0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 179.25 178.80 3fa3 h ALA 180 N -0.26 0.43 -0.66 0.00 0.00 -0.55 0.31 119.26 118.53 3fa3 h ALA 180 Ca -0.00 0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3fa3 h ALA 180 Cb 0.72 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 3fa3 h ALA 180 CO 0.00 -0.49 0.42 -0.09 0.00 0.00 0.00 179.25 179.09 3fa3 h ARG 181 N -0.01 0.82 0.00 0.00 2.43 -0.72 -1.62 114.38 115.28 3fa3 h ARG 181 Ca 0.41 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 3fa3 h ARG 181 Cb 0.66 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3fa3 h ARG 181 CO -0.99 0.54 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.43 3fa3 h ASP 182 N 0.84 0.00 1.48 -3.80 5.19 -0.55 -1.28 116.42 118.30 3fa3 h ASP 182 Ca 0.25 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 3fa3 h ASP 182 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 3fa3 h ASP 182 CO -0.08 0.15 -0.11 0.00 -3.12 0.00 0.00 179.24 176.08 3fa3 h ALA 183 N 1.85 0.96 0.00 3.45 0.00 0.24 -3.47 119.26 122.29 3fa3 h ALA 183 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fa3 h ALA 183 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fa3 h ALA 183 CO 0.02 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3fa3 n GLY 184 N 0.66 0.48 3.73 0.00 0.00 -0.49 -4.54 105.19 105.04 3fa3 n GLY 184 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 s ALA 185 N -1.14 2.23 -0.51 4.61 0.00 -0.69 -4.91 121.76 121.36 3fa3 s ALA 185 Ca 0.00 0.83 0.19 0.00 0.00 0.00 0.00 51.96 52.98 3fa3 s ALA 185 Cb 0.00 -3.44 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 3fa3 s ALA 185 CO 0.00 -1.68 0.63 -0.25 0.00 0.00 0.00 175.76 174.46 3fa3 n ASP 186 N -2.53 0.77 -3.69 0.00 8.00 0.37 -4.69 116.55 114.77 3fa3 n ASP 186 Ca 0.13 -0.53 -0.11 0.00 0.71 0.00 0.00 54.79 54.98 3fa3 n ASP 186 Cb 0.50 1.38 -0.12 0.00 -0.02 0.00 0.00 41.12 42.86 3fa3 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa3 s VAL 187 N -3.00 -0.25 0.14 2.53 1.01 -0.79 -4.27 120.40 115.78 3fa3 s VAL 187 Ca 0.01 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 3fa3 s VAL 187 Cb 0.13 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.93 3fa3 s VAL 187 CO 0.78 0.07 0.50 -0.83 0.00 0.00 0.00 175.10 175.62 3fa3 s GLY 188 N 1.85 2.39 -0.31 4.51 0.00 -0.85 -0.09 107.32 114.81 3fa3 s GLY 188 Ca -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3fa3 s GLY 188 CO -0.11 -0.01 0.18 -0.12 0.00 0.00 0.00 173.10 173.04 3fa3 s PHE 189 N -1.51 0.37 -0.67 1.90 5.99 -0.43 -1.02 117.98 122.62 3fa3 s PHE 189 Ca 0.38 -1.09 -0.23 0.00 0.00 0.00 0.00 56.93 55.99 3fa3 s PHE 189 Cb -0.14 -0.85 0.06 0.00 0.00 0.00 0.00 43.02 42.10 3fa3 s PHE 189 CO 0.19 -0.84 1.01 -1.17 -0.00 0.00 0.00 175.22 174.41 3fa3 s LEU 190 N 1.73 4.18 0.27 6.12 0.20 -1.26 -1.29 118.68 128.63 3fa3 s LEU 190 Ca 0.13 -0.87 -0.30 0.00 0.69 0.00 0.00 54.13 53.77 3fa3 s LEU 190 Cb -0.18 -2.46 -0.10 0.00 -0.43 0.00 0.00 46.19 43.02 3fa3 s LEU 190 CO -0.22 -1.49 1.41 -0.70 -0.29 0.00 0.00 176.35 175.06 3fa3 s GLU 191 N 4.32 4.28 -0.70 1.98 2.56 -0.75 -3.92 118.70 126.47 3fa3 s GLU 191 Ca 0.24 2.28 -0.01 0.00 0.00 0.00 0.00 54.97 57.48 3fa3 s GLU 191 Cb -0.15 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 32.88 3fa3 s GLU 191 CO 0.11 -0.37 0.59 0.41 -0.56 0.00 0.00 175.26 175.44 3fa3 n GLY 192 N 1.86 0.03 3.71 -1.50 0.00 -1.26 -4.71 105.19 103.32 3fa3 n GLY 192 Ca 0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3fa3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fa3 s ILE 193 N -3.19 2.97 -0.24 -0.61 1.01 -1.25 -4.74 121.20 115.14 3fa3 s ILE 193 Ca 0.10 0.63 0.21 0.00 0.00 0.00 0.00 60.65 61.59 3fa3 s ILE 193 Cb -0.04 -3.40 -0.31 0.00 0.01 0.00 0.00 42.46 38.72 3fa3 s ILE 193 CO 0.41 0.03 0.56 0.35 0.00 0.00 0.00 174.94 176.29 3fa3 n THR 194 N 4.19 0.00 -3.90 2.92 -2.24 -1.26 -3.80 114.28 110.19 3fa3 n THR 194 Ca 0.14 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 3fa3 n THR 194 Cb 0.40 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 3fa3 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa3 s SER 195 N -4.13 0.14 0.02 3.42 1.04 -1.26 -4.64 113.70 108.30 3fa3 s SER 195 Ca -0.04 -0.56 0.28 0.00 0.48 0.00 0.00 55.95 56.12 3fa3 s SER 195 Cb 0.14 0.28 1.15 0.00 0.10 0.00 0.00 66.02 67.69 3fa3 s SER 195 CO 0.88 -0.60 1.88 -2.11 0.98 0.00 0.00 173.24 174.27 3fa3 n ARG 196 N 0.45 0.02 0.06 4.02 1.85 -1.26 -2.05 116.66 119.74 3fa3 n ARG 196 Ca -0.17 0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 56.57 3fa3 n ARG 196 Cb 0.60 -1.52 -0.08 0.00 -1.05 0.00 0.00 32.46 30.41 3fa3 n ARG 196 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 3fa3 h GLU 197 N 0.00 -0.07 0.00 2.89 4.57 -1.99 -2.90 114.58 117.07 3fa3 h GLU 197 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3fa3 h GLU 197 Cb 0.52 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3fa3 h GLU 197 CO 0.00 0.03 -0.27 1.98 -1.18 0.00 0.00 179.01 179.57 3fa3 h MET 198 N -0.15 0.00 0.10 1.92 4.05 -1.81 -1.34 114.93 117.70 3fa3 h MET 198 Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3fa3 h MET 198 Cb 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3fa3 h MET 198 CO 0.01 0.27 -0.05 0.00 0.23 0.00 0.00 176.91 177.37 3fa3 h ALA 199 N 1.73 -0.14 -0.98 0.39 0.00 -1.51 -2.95 119.26 115.81 3fa3 h ALA 199 Ca -0.00 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 54.89 3fa3 h ALA 199 Cb 0.55 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3fa3 h ALA 199 CO 0.03 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 179.62 3fa3 h ARG 200 N -0.69 0.45 -0.33 0.00 3.08 -1.23 -2.47 114.38 113.20 3fa3 h ARG 200 Ca -0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3fa3 h ARG 200 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3fa3 h ARG 200 CO 0.02 0.30 -0.01 0.37 -1.07 0.00 0.00 179.97 179.58 3fa3 h GLN 201 N 0.47 0.58 0.00 0.04 5.75 -1.20 -2.98 115.11 117.77 3fa3 h GLN 201 Ca 0.54 -0.19 -0.19 0.00 -0.15 0.00 0.00 58.65 58.66 3fa3 h GLN 201 Cb 1.27 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 3fa3 h GLN 201 CO -0.26 0.72 -0.86 -0.24 -2.65 0.00 0.00 178.83 175.54 3fa3 h VAL 202 N 0.38 1.55 0.26 2.39 3.04 -1.28 0.17 116.25 122.76 3fa3 h VAL 202 Ca 0.09 -2.74 0.01 0.00 -1.01 0.00 0.00 66.70 63.05 3fa3 h VAL 202 Cb 0.46 2.51 -0.03 0.00 -2.01 0.00 0.00 31.29 32.22 3fa3 h VAL 202 CO 0.02 0.79 -0.32 0.40 -1.01 0.00 0.00 177.57 177.45 3fa3 h ILE 203 N 0.05 0.33 -0.71 3.17 2.04 -1.52 0.41 117.51 121.28 3fa3 h ILE 203 Ca -0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3fa3 h ILE 203 Cb 1.49 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3fa3 h ILE 203 CO 0.12 0.00 0.17 1.56 0.00 0.00 0.00 178.15 180.00 3fa3 h GLN 204 N -0.63 1.14 0.34 2.37 1.08 -1.31 -0.58 115.11 117.53 3fa3 h GLN 204 Ca -0.00 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 56.90 3fa3 h GLN 204 Cb 0.60 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3fa3 h GLN 204 CO -0.10 1.01 -0.16 -0.44 -0.95 0.00 0.00 178.83 178.19 3fa3 h ASP 205 N 1.08 -0.39 -0.70 1.46 3.32 -0.55 -2.98 116.42 117.67 3fa3 h ASP 205 Ca 0.22 -0.07 -0.40 0.00 0.02 0.00 0.00 57.03 56.81 3fa3 h ASP 205 Cb 0.38 0.10 -0.21 0.00 0.22 0.00 0.00 39.33 39.82 3fa3 h ASP 205 CO 0.00 -0.17 0.51 0.18 -1.72 0.00 0.00 179.24 178.04 3fa3 n LEU 206 N -5.23 6.07 -4.77 1.55 4.77 0.14 -4.91 117.00 114.63 3fa3 n LEU 206 Ca -0.10 -3.22 -0.38 0.00 -0.03 0.00 0.00 56.01 52.28 3fa3 n LEU 206 Cb 0.23 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3fa3 n LEU 206 CO 0.34 1.03 0.79 0.00 -1.33 0.00 0.00 177.39 178.23 3fa3 s ALA 207 N -2.43 3.21 -0.23 -1.18 0.00 -0.23 -1.76 121.76 119.15 3fa3 s ALA 207 Ca 0.42 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 53.15 3fa3 s ALA 207 Cb 0.34 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3fa3 s ALA 207 CO 0.05 -0.32 0.11 0.20 0.00 0.00 0.00 175.76 175.80 3fa3 s GLY 208 N -1.19 1.90 -0.29 0.00 0.00 -1.26 -5.06 107.32 101.43 3fa3 s GLY 208 Ca 0.53 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 44.34 3fa3 s GLY 208 CO 0.36 0.33 0.56 0.86 0.00 0.00 0.00 173.10 175.21 3fa3 s TRP 209 N 1.00 -1.51 0.06 1.90 -0.00 -0.72 -5.10 118.94 114.57 3fa3 s TRP 209 Ca 0.06 1.49 -0.36 0.00 -0.00 0.00 0.00 56.10 57.29 3fa3 s TRP 209 Cb -0.14 0.45 -0.19 0.00 -0.00 0.00 0.00 33.47 33.59 3fa3 s TRP 209 CO 0.03 -0.88 0.88 -2.30 -0.00 0.00 0.00 176.95 174.69 3fa3 n PRO 210 N 5.42 0.00 -4.35 5.86 -0.02 -1.26 -4.54 135.00 136.11 3fa3 n PRO 210 Ca -0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.23 3fa3 n PRO 210 Cb 0.51 -1.33 -0.09 0.00 -0.02 0.00 0.00 33.50 32.58 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 0.96 2.93 -0.02 2.45 1.43 -1.26 -2.01 118.68 123.15 3fa3 s LEU 211 Ca 0.82 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3fa3 s LEU 211 Cb -1.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3fa3 s LEU 211 CO 0.56 0.05 -0.19 -0.22 0.23 0.00 0.00 176.35 176.78 3fa3 s LEU 212 N -3.35 2.50 -0.32 1.79 0.20 -0.19 -1.86 118.68 117.45 3fa3 s LEU 212 Ca 0.29 -0.33 -0.09 0.00 0.69 0.00 0.00 54.13 54.69 3fa3 s LEU 212 Cb -0.07 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.22 3fa3 s LEU 212 CO 0.17 0.32 0.13 -0.22 -0.29 0.00 0.00 176.35 176.46 3fa3 s LEU 213 N -0.85 4.11 -0.66 -0.68 2.96 -0.70 -4.18 118.68 118.68 3fa3 s LEU 213 Ca 0.12 -0.68 -0.24 0.00 -0.22 0.00 0.00 54.13 53.10 3fa3 s LEU 213 Cb -0.10 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.68 3fa3 s LEU 213 CO 0.01 -0.23 1.05 0.21 -1.32 0.00 0.00 176.35 176.08 3fa3 s ASN 214 N 1.56 6.21 -1.27 3.68 2.47 -1.26 -2.27 114.94 124.06 3fa3 s ASN 214 Ca 0.03 -0.69 -0.05 0.00 0.42 0.00 0.00 52.86 52.58 3fa3 s ASN 214 Cb -0.17 -2.46 0.16 0.00 -1.45 0.00 0.00 41.25 37.32 3fa3 s ASN 214 CO 0.05 -1.51 2.25 0.80 -3.72 0.00 0.00 177.10 174.96 3fa3 n MET 215 N 8.14 4.69 -2.38 0.43 0.00 -0.57 -4.83 117.12 122.60 3fa3 n MET 215 Ca -0.01 -3.69 -0.43 0.00 -0.00 0.00 0.00 57.70 53.57 3fa3 n MET 215 Cb 0.47 -2.62 -0.02 0.00 0.00 0.00 0.00 33.22 31.05 3fa3 n MET 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fa3 s VAL 216 N -1.65 4.21 0.53 1.12 1.01 -1.26 -4.68 120.40 119.68 3fa3 s VAL 216 Ca 0.50 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 3fa3 s VAL 216 Cb 0.18 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3fa3 s VAL 216 CO -0.09 -0.14 0.95 -1.61 0.00 0.00 0.00 175.10 174.21 3fa3 s GLU 217 N 3.58 3.75 -1.64 2.72 2.02 -1.26 -3.92 118.70 123.94 3fa3 s GLU 217 Ca 0.57 0.72 -0.19 0.00 0.02 0.00 0.00 54.97 56.09 3fa3 s GLU 217 Cb -0.23 -2.18 0.17 0.00 0.10 0.00 0.00 34.13 31.99 3fa3 s GLU 217 CO 0.16 -0.34 0.66 0.72 0.02 0.00 0.00 175.26 176.48 3fa3 n HIS 218 N -2.05 -1.57 0.00 1.61 8.25 -1.26 -4.91 115.22 115.29 3fa3 n HIS 218 Ca 0.05 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 3fa3 n HIS 218 Cb 0.54 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.18 3fa3 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 219 N -1.21 1.29 0.12 -1.41 0.00 -1.25 -5.00 105.19 97.72 3fa3 n GLY 219 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 h ALA 220 N -0.11 0.70 -3.33 4.61 0.00 -1.86 -3.46 119.26 115.81 3fa3 h ALA 220 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3fa3 h ALA 220 Cb 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.55 3fa3 h ALA 220 CO 0.00 0.00 -0.71 0.99 0.00 0.00 0.00 179.25 179.53 3fa3 s THR 221 N -3.23 3.50 1.01 0.00 2.01 -1.25 -4.27 115.64 113.41 3fa3 s THR 221 Ca 0.05 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 3fa3 s THR 221 Cb 0.10 -2.50 0.19 0.00 0.01 0.00 0.00 72.50 70.30 3fa3 s THR 221 CO 0.72 0.51 1.12 -2.16 -0.69 0.00 0.00 174.62 174.12 3fa3 s PRO 222 N 0.29 0.35 -0.42 4.92 0.04 -1.26 -4.43 135.00 134.49 3fa3 s PRO 222 Ca -0.06 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 3fa3 s PRO 222 Cb -0.15 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.67 3fa3 s PRO 222 CO 0.04 -2.74 1.07 -1.12 0.04 0.00 0.00 177.00 174.30 3fa3 s SER 223 N -3.77 6.71 -0.13 6.66 0.01 -1.26 -5.01 113.70 116.91 3fa3 s SER 223 Ca 0.66 0.62 -0.00 0.00 1.31 0.00 0.00 55.95 58.54 3fa3 s SER 223 Cb -0.15 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.57 3fa3 s SER 223 CO 0.56 -1.08 -0.11 -0.63 0.41 0.00 0.00 173.24 172.39 3fa3 s ILE 224 N 4.04 1.31 0.61 1.44 1.01 -1.26 -5.12 121.20 123.23 3fa3 s ILE 224 Ca 0.45 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3fa3 s ILE 224 Cb -0.09 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3fa3 s ILE 224 CO 0.25 0.42 1.03 -0.94 0.00 0.00 0.00 174.94 175.69 3fa3 s SER 225 N 1.59 6.20 0.24 3.58 1.04 -1.26 -4.84 113.70 120.25 3fa3 s SER 225 Ca 0.05 1.48 -0.10 0.00 0.48 0.00 0.00 55.95 57.87 3fa3 s SER 225 Cb -0.13 -2.48 0.36 0.00 0.10 0.00 0.00 66.02 63.87 3fa3 s SER 225 CO -0.10 -0.89 1.62 0.00 0.98 0.00 0.00 173.24 174.86 3fa3 h ALA 226 N -0.11 0.63 -0.46 5.32 0.00 -1.99 0.04 119.26 122.68 3fa3 h ALA 226 Ca -0.45 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 226 Cb 1.19 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3fa3 h ALA 226 CO 0.61 -0.42 0.24 0.00 0.00 0.00 0.00 179.25 179.68 3fa3 h ALA 227 N 1.72 0.60 -0.26 0.00 0.00 -2.00 -1.23 119.26 118.10 3fa3 h ALA 227 Ca 0.38 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3fa3 h ALA 227 Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fa3 h ALA 227 CO -0.71 0.14 -0.26 1.49 0.00 0.00 0.00 179.25 179.91 3fa3 h GLU 228 N 0.61 0.50 -0.09 0.00 4.81 -1.75 -2.35 114.58 116.31 3fa3 h GLU 228 Ca 0.16 -0.19 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 3fa3 h GLU 228 Cb 0.09 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3fa3 h GLU 228 CO -0.02 0.72 -0.80 0.00 -0.73 0.00 0.00 179.01 178.18 3fa3 h ALA 229 N 1.28 0.43 -0.74 2.92 0.00 -0.33 0.24 119.26 123.06 3fa3 h ALA 229 Ca 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3fa3 h ALA 229 Cb 0.69 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3fa3 h ALA 229 CO 0.05 0.74 0.44 -0.22 0.00 0.00 0.00 179.25 180.26 3fa3 h LYS 230 N 0.38 1.00 -0.09 0.00 3.64 -1.16 0.25 116.57 120.57 3fa3 h LYS 230 Ca -0.05 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.07 3fa3 h LYS 230 Cb 1.41 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3fa3 h LYS 230 CO 0.15 0.70 -0.68 1.49 -2.27 0.00 0.00 179.45 178.84 3fa3 h GLU 231 N 1.01 0.40 0.00 1.90 4.22 -0.97 -2.53 114.58 118.61 3fa3 h GLU 231 Ca 0.26 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.40 3fa3 h GLU 231 Cb -0.04 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3fa3 h GLU 231 CO -0.05 0.93 0.00 -1.33 -2.18 0.00 0.00 179.01 176.39 3fa3 n MET 232 N -3.86 0.06 0.00 1.92 2.81 0.03 -4.80 117.12 113.28 3fa3 n MET 232 Ca -0.04 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 3fa3 n MET 232 Cb 0.67 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3fa3 n MET 232 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fa3 n GLY 233 N -0.60 0.58 3.59 3.03 0.00 -0.95 -4.87 105.19 105.97 3fa3 n GLY 233 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3fa3 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 234 N -2.00 1.75 0.00 1.61 0.40 0.80 -4.81 117.98 115.73 3fa3 s PHE 234 Ca 0.00 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 3fa3 s PHE 234 Cb 0.00 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.35 3fa3 s PHE 234 CO 0.00 -3.34 0.00 0.54 0.70 0.00 0.00 175.22 173.12 3fa3 n ARG 235 N -4.52 1.96 -4.84 0.44 5.12 -0.78 -4.54 116.66 109.50 3fa3 n ARG 235 Ca 0.04 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.71 3fa3 n ARG 235 Cb 0.56 -0.94 -0.15 0.00 -1.16 0.00 0.00 32.46 30.76 3fa3 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa3 s ILE 236 N -1.89 1.38 0.00 0.55 1.01 -0.94 -2.19 121.20 119.13 3fa3 s ILE 236 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.98 3fa3 s ILE 236 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 3fa3 s ILE 236 CO 0.00 0.39 -0.25 -0.51 0.00 0.00 0.00 174.94 174.58 3fa3 s ILE 237 N -0.40 1.96 0.11 2.92 2.07 -0.63 -1.73 121.20 125.50 3fa3 s ILE 237 Ca 0.06 -1.13 0.07 0.00 -1.41 0.00 0.00 60.65 58.24 3fa3 s ILE 237 Cb -0.07 -1.64 -0.04 0.00 0.13 0.00 0.00 42.46 40.85 3fa3 s ILE 237 CO -0.01 0.48 -0.16 0.27 -1.91 0.00 0.00 174.94 173.61 3fa3 s ILE 238 N -0.64 1.45 -0.51 2.00 -4.36 -0.96 -0.43 121.20 117.74 3fa3 s ILE 238 Ca 0.10 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 58.94 3fa3 s ILE 238 Cb -0.09 -1.47 0.18 0.00 1.25 0.00 0.00 42.46 42.33 3fa3 s ILE 238 CO -0.00 -0.26 0.43 0.49 0.24 0.00 0.00 174.94 175.84 3fa3 n PHE 239 N 0.83 0.58 -0.33 1.37 3.01 -1.03 -1.51 117.46 120.38 3fa3 n PHE 239 Ca -0.18 -3.67 0.35 0.00 1.01 0.00 0.00 57.45 54.97 3fa3 n PHE 239 Cb 0.55 -0.10 0.75 0.00 -0.01 0.00 0.00 39.48 40.67 3fa3 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa3 h PRO 240 N 5.31 0.01 -0.19 -1.08 0.11 -1.88 0.38 132.00 134.66 3fa3 h PRO 240 Ca 0.21 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.17 3fa3 h PRO 240 Cb 0.85 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.82 3fa3 h PRO 240 CO 0.51 0.01 -0.61 1.19 -0.21 0.00 0.00 178.00 178.88 3fa3 n PHE 241 N -4.19 0.70 -0.29 0.65 3.72 -1.26 -4.52 117.46 112.27 3fa3 n PHE 241 Ca 0.26 -1.65 -0.01 0.00 -0.05 0.00 0.00 57.45 56.01 3fa3 n PHE 241 Cb 1.26 -0.27 0.18 0.00 -0.94 0.00 0.00 39.48 39.71 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fa3 h ALA 242 N 1.32 1.38 0.05 4.37 0.00 -1.44 -2.53 119.26 122.41 3fa3 h ALA 242 Ca 0.08 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.56 3fa3 h ALA 242 Cb 1.18 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3fa3 h ALA 242 CO 0.20 0.57 -2.15 0.00 0.00 0.00 0.00 179.25 177.87 3fa3 n ALA 243 N -2.40 1.11 0.03 0.00 0.00 -1.24 -4.52 120.51 113.49 3fa3 n ALA 243 Ca 0.10 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 3fa3 n ALA 243 Cb 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 3fa3 n ALA 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fa3 h LEU 244 N -0.20 -0.04 -0.11 0.00 5.85 -1.81 -1.69 115.31 117.31 3fa3 h LEU 244 Ca -0.51 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 57.93 3fa3 h LEU 244 Cb 1.86 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 3fa3 h LEU 244 CO -0.07 0.27 -0.06 0.61 -0.34 0.00 0.00 178.44 178.85 3fa3 n GLY 245 N -0.27 -2.81 0.37 3.75 0.00 -0.96 -2.12 105.19 103.14 3fa3 n GLY 245 Ca -0.08 0.61 0.04 0.00 0.00 0.00 0.00 46.02 46.58 3fa3 n GLY 245 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 246 N 0.00 1.04 -0.58 1.61 0.11 -1.79 -2.15 132.00 130.23 3fa3 h PRO 246 Ca 0.02 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.18 3fa3 h PRO 246 Cb 0.04 -0.23 -0.09 0.00 0.11 0.00 0.00 31.00 30.83 3fa3 h PRO 246 CO -0.10 0.69 0.07 0.00 -0.21 0.00 0.00 178.00 178.44 3fa3 h ALA 247 N 1.50 0.63 -0.12 -0.75 0.00 -0.84 -1.30 119.26 118.38 3fa3 h ALA 247 Ca 0.41 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 3fa3 h ALA 247 Cb 0.22 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fa3 h ALA 247 CO -0.16 -0.35 0.03 0.28 0.00 0.00 0.00 179.25 179.05 3fa3 h VAL 248 N 0.19 1.20 0.41 0.00 2.07 -0.86 -0.82 116.25 118.43 3fa3 h VAL 248 Ca 0.30 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3fa3 h VAL 248 Cb 0.47 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3fa3 h VAL 248 CO -0.44 0.18 -0.20 0.00 0.02 0.00 0.00 177.57 177.14 3fa3 h ALA 249 N 0.83 -0.55 -0.26 1.67 0.00 -1.02 0.21 119.26 120.13 3fa3 h ALA 249 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3fa3 h ALA 249 Cb 0.25 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3fa3 h ALA 249 CO 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 179.25 178.33 3fa3 h ALA 250 N 0.02 0.10 -0.17 0.00 0.00 -1.26 0.20 119.26 118.15 3fa3 h ALA 250 Ca -0.06 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3fa3 h ALA 250 Cb 0.44 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3fa3 h ALA 250 CO 0.09 -0.52 -0.43 0.52 0.00 0.00 0.00 179.25 178.91 3fa3 h MET 251 N -0.08 0.40 0.69 0.00 2.86 -1.02 -0.37 114.93 117.41 3fa3 h MET 251 Ca 0.14 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3fa3 h MET 251 Cb 0.29 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.96 3fa3 h MET 251 CO -0.32 0.76 -0.33 -0.09 1.06 0.00 0.00 176.91 177.99 3fa3 h ARG 252 N 0.33 -0.90 -0.85 1.72 2.43 -0.03 0.92 114.38 118.00 3fa3 h ARG 252 Ca 0.03 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.46 3fa3 h ARG 252 Cb 0.90 0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 30.53 3fa3 h ARG 252 CO 0.08 -0.57 0.34 1.49 -1.51 0.00 0.00 179.97 179.79 3fa3 h GLU 253 N -1.09 0.37 -0.02 0.20 4.81 -0.58 -1.64 114.58 116.64 3fa3 h GLU 253 Ca -0.10 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 3fa3 h GLU 253 Cb 0.74 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3fa3 h GLU 253 CO 0.16 0.24 -0.18 0.00 -0.73 0.00 0.00 179.01 178.50 3fa3 h ALA 254 N 1.67 0.04 -0.29 2.92 0.00 -0.98 -2.92 119.26 119.72 3fa3 h ALA 254 Ca 0.51 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3fa3 h ALA 254 Cb 0.94 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3fa3 h ALA 254 CO -0.51 0.03 -0.00 0.52 0.00 0.00 0.00 179.25 179.28 3fa3 h MET 255 N -0.49 0.08 0.00 0.00 2.86 -0.47 -0.74 114.93 116.18 3fa3 h MET 255 Ca -0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3fa3 h MET 255 Cb 0.89 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3fa3 h MET 255 CO 0.04 0.05 0.00 1.05 1.06 0.00 0.00 176.91 179.11 3fa3 h GLU 256 N 0.08 0.00 -0.26 1.72 4.11 -1.37 -2.05 114.58 116.82 3fa3 h GLU 256 Ca 0.14 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.51 3fa3 h GLU 256 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3fa3 h GLU 256 CO -0.23 0.00 -0.07 -0.22 0.07 0.00 0.00 179.01 178.56 3fa3 h LYS 257 N 0.00 0.50 0.01 1.06 3.64 -1.26 -2.42 116.57 118.10 3fa3 h LYS 257 Ca 0.00 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3fa3 h LYS 257 Cb 0.80 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 3fa3 h LYS 257 CO 0.00 0.72 -0.24 1.25 -2.27 0.00 0.00 179.45 178.91 3fa3 h LEU 258 N 0.24 -0.71 0.00 5.20 5.85 -0.55 0.34 115.31 125.68 3fa3 h LEU 258 Ca 0.06 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3fa3 h LEU 258 Cb 0.54 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3fa3 h LEU 258 CO 0.03 -0.31 0.00 1.17 -0.34 0.00 0.00 178.44 178.98 3fa3 n LYS 259 N -5.36 0.00 0.05 1.25 3.00 -0.83 -0.06 118.16 116.21 3fa3 n LYS 259 Ca -0.05 0.55 0.12 0.00 -0.00 0.00 0.00 58.31 58.93 3fa3 n LYS 259 Cb 0.28 -0.92 0.59 0.00 0.00 0.00 0.00 35.03 34.97 3fa3 n LYS 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fa3 h ARG 260 N 0.00 0.18 0.00 1.64 3.08 -0.91 -3.19 114.38 115.19 3fa3 h ARG 260 Ca 0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3fa3 h ARG 260 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3fa3 h ARG 260 CO 0.00 0.12 -1.73 -0.25 -1.07 0.00 0.00 179.97 177.04 3fa3 n ASP 261 N -4.47 0.38 0.00 7.04 10.43 0.06 -4.98 116.55 125.02 3fa3 n ASP 261 Ca 0.05 0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.57 3fa3 n ASP 261 Cb 0.32 1.05 0.00 0.00 1.84 0.00 0.00 41.12 44.33 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fa3 n GLY 262 N 1.37 1.43 3.31 0.44 0.00 0.91 -4.96 105.19 107.70 3fa3 n GLY 262 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3fa3 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa3 s ILE 263 N -3.65 -0.00 -0.29 -0.61 2.07 -1.26 -5.08 121.20 112.38 3fa3 s ILE 263 Ca 0.00 0.00 0.27 0.00 -1.41 0.00 0.00 60.65 59.52 3fa3 s ILE 263 Cb 0.00 -0.59 0.30 0.00 0.13 0.00 0.00 42.46 42.30 3fa3 s ILE 263 CO 0.00 0.00 1.81 -0.65 -1.91 0.00 0.00 174.94 174.19 3fa3 h PRO 264 N 5.54 0.00 -6.78 3.50 0.11 -1.92 -3.42 132.00 129.03 3fa3 h PRO 264 Ca -0.27 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.33 3fa3 h PRO 264 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fa3 h PRO 264 CO 0.24 0.00 -1.06 0.41 -0.21 0.00 0.00 178.00 177.38 3fa3 n GLY 265 N 0.08 -1.18 3.88 -0.55 0.00 -1.26 -4.74 105.19 101.43 3fa3 n GLY 265 Ca 0.02 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa3 s LEU 266 N -5.42 4.16 0.51 0.99 1.43 -1.26 -5.04 118.68 114.05 3fa3 s LEU 266 Ca 0.10 0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 53.82 3fa3 s LEU 266 Cb -0.06 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 3fa3 s LEU 266 CO 0.89 -0.08 1.37 -0.67 0.23 0.00 0.00 176.35 178.08 3fa3 n ASP 267 N -0.25 2.85 -0.35 2.29 2.03 -1.26 -4.86 116.55 117.00 3fa3 n ASP 267 Ca -0.00 1.03 0.26 0.00 0.52 0.00 0.00 54.79 56.60 3fa3 n ASP 267 Cb 0.53 -1.58 0.55 0.00 -0.72 0.00 0.00 41.12 39.89 3fa3 n ASP 267 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3fa3 h LYS 268 N 1.73 0.30 0.00 -0.67 5.09 -2.05 -0.76 116.57 120.20 3fa3 h LYS 268 Ca -0.51 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.22 3fa3 h LYS 268 Cb 1.29 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.56 3fa3 h LYS 268 CO 0.58 0.20 0.00 0.93 -2.09 0.00 0.00 179.45 179.07 3fa3 h GLU 269 N 0.31 0.00 -5.65 0.07 4.39 -2.05 -3.37 114.58 108.27 3fa3 h GLU 269 Ca 0.65 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.67 3fa3 h GLU 269 Cb 1.78 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.33 3fa3 h GLU 269 CO -0.33 0.00 1.90 -1.64 -1.16 0.00 0.00 179.01 177.78 3fa3 s MET 270 N -3.79 3.94 0.23 2.33 -1.94 -0.29 -4.72 119.30 115.07 3fa3 s MET 270 Ca -0.01 -1.99 0.03 0.00 -1.71 0.00 0.00 55.69 52.01 3fa3 s MET 270 Cb 0.10 -5.40 -0.05 0.00 2.01 0.00 0.00 34.83 31.49 3fa3 s MET 270 CO 0.49 -2.14 0.03 0.95 -0.01 0.00 0.00 175.02 174.33 3fa3 s THR 271 N 3.76 0.84 0.36 2.05 -4.23 -1.26 -4.84 115.64 112.32 3fa3 s THR 271 Ca 0.50 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 59.10 3fa3 s THR 271 Cb 0.02 -2.39 0.33 0.00 1.34 0.00 0.00 72.50 71.79 3fa3 s THR 271 CO 0.04 -0.26 1.87 -0.65 -0.54 0.00 0.00 174.62 175.08 3fa3 h PRO 272 N 2.48 0.63 0.00 3.99 0.11 -1.98 0.83 132.00 138.06 3fa3 h PRO 272 Ca -0.38 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 3fa3 h PRO 272 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3fa3 h PRO 272 CO 0.63 0.42 -0.34 1.96 -0.21 0.00 0.00 178.00 180.46 3fa3 h GLN 273 N 0.65 0.00 -0.26 1.05 7.50 -1.97 0.55 115.11 122.62 3fa3 h GLN 273 Ca 0.44 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.50 3fa3 h GLN 273 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.27 3fa3 h GLN 273 CO -0.20 0.34 -0.22 1.98 -1.50 0.00 0.00 178.83 179.23 3fa3 h MET 274 N 0.00 0.49 -0.08 1.46 1.85 0.34 -1.52 114.93 117.47 3fa3 h MET 274 Ca -0.00 -0.18 -0.01 0.00 -0.61 0.00 0.00 59.70 58.90 3fa3 h MET 274 Cb 0.65 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.64 3fa3 h MET 274 CO 0.04 0.69 0.02 1.25 -0.40 0.00 0.00 176.91 178.51 3fa3 h LEU 275 N 0.44 0.12 -0.38 3.39 7.12 0.15 -1.38 115.31 124.76 3fa3 h LEU 275 Ca 0.07 -0.24 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 3fa3 h LEU 275 Cb 0.63 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 3fa3 h LEU 275 CO 0.04 0.33 0.21 -0.26 -0.13 0.00 0.00 178.44 178.64 3fa3 h PHE 276 N -0.10 0.53 -0.58 1.25 0.05 0.19 -1.56 116.94 116.73 3fa3 h PHE 276 Ca 0.02 -0.01 -0.11 0.00 3.82 0.00 0.00 57.97 61.69 3fa3 h PHE 276 Cb 0.26 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 3fa3 h PHE 276 CO 0.01 0.41 -0.06 0.07 -0.18 0.00 0.00 178.31 178.57 3fa3 h ARG 277 N 0.49 1.06 -0.99 1.51 0.11 -1.28 -0.96 114.38 114.32 3fa3 h ARG 277 Ca 0.13 -0.37 0.26 0.00 0.10 0.00 0.00 59.98 60.10 3fa3 h ARG 277 Cb 0.06 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 31.00 3fa3 h ARG 277 CO -0.02 1.07 0.67 0.28 0.10 0.00 0.00 179.97 182.06 3fa3 h VAL 278 N 0.95 0.56 -0.73 0.08 2.07 -0.31 -2.65 116.25 116.22 3fa3 h VAL 278 Ca 0.16 -0.09 -0.24 0.00 0.82 0.00 0.00 66.70 67.35 3fa3 h VAL 278 Cb 0.63 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.53 3fa3 h VAL 278 CO 0.04 0.05 0.31 0.00 0.02 0.00 0.00 177.57 177.99 3fa3 n GLY 280 N -0.23 0.27 0.40 0.00 0.00 -1.00 -4.95 105.19 99.69 3fa3 n GLY 280 Ca 0.41 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3fa3 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa3 h LEU 281 N -0.99 -1.42 -1.41 0.99 5.85 -1.41 -2.02 115.31 114.89 3fa3 h LEU 281 Ca -0.24 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3fa3 h LEU 281 Cb 1.16 0.60 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 3fa3 h LEU 281 CO 0.24 -0.39 -0.11 0.44 -0.34 0.00 0.00 178.44 178.28 3fa3 h ASP 282 N -0.39 0.00 0.14 1.25 3.32 -1.88 -0.33 116.42 118.52 3fa3 h ASP 282 Ca 0.11 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.93 3fa3 h ASP 282 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.16 3fa3 h ASP 282 CO -0.51 0.11 -1.11 -0.33 -1.72 0.00 0.00 179.24 175.68 3fa3 h GLU 283 N 0.00 0.30 -0.11 3.56 3.07 -1.95 -2.88 114.58 116.57 3fa3 h GLU 283 Ca -0.00 -0.51 -0.10 0.00 -0.50 0.00 0.00 59.36 58.24 3fa3 h GLU 283 Cb 0.58 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 3fa3 h GLU 283 CO 0.01 1.25 -0.39 0.66 -1.40 0.00 0.00 179.01 179.14 3fa3 h SER 284 N -0.30 0.25 0.21 1.42 4.64 -1.13 -1.49 113.55 117.14 3fa3 h SER 284 Ca -0.22 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 3fa3 h SER 284 Cb 1.74 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 3fa3 h SER 284 CO 0.13 0.62 -0.18 0.24 -0.87 0.00 0.00 176.83 176.77 3fa3 h MET 285 N 0.21 0.00 -0.11 4.77 2.86 -1.16 -2.05 114.93 119.45 3fa3 h MET 285 Ca 0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 3fa3 h MET 285 Cb 0.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3fa3 h MET 285 CO 0.06 0.18 -0.53 -0.22 1.06 0.00 0.00 176.91 177.46 3fa3 h LYS 286 N 0.00 0.32 0.03 1.72 3.64 -1.04 -1.19 116.57 120.05 3fa3 h LYS 286 Ca -0.00 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3fa3 h LYS 286 Cb 0.33 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3fa3 h LYS 286 CO 0.02 0.78 -0.01 0.28 -2.27 0.00 0.00 179.45 178.25 3fa3 h VAL 287 N 0.25 1.14 -0.26 2.00 2.07 -1.26 -2.58 116.25 117.61 3fa3 h VAL 287 Ca 0.01 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3fa3 h VAL 287 Cb 1.02 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3fa3 h VAL 287 CO 0.09 0.13 0.15 -0.78 0.02 0.00 0.00 177.57 177.18 3fa3 h ASP 288 N -0.25 0.25 -0.54 0.57 1.82 -1.30 -0.73 116.42 116.24 3fa3 h ASP 288 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 3fa3 h ASP 288 Cb 0.24 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.17 3fa3 h ASP 288 CO 0.01 0.18 0.11 0.00 -1.61 0.00 0.00 179.24 177.93 3fa3 h ALA 289 N 1.12 1.10 -0.10 -0.78 0.00 -1.33 -2.55 119.26 116.71 3fa3 h ALA 289 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fa3 h ALA 289 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3fa3 h ALA 289 CO -0.05 0.60 0.06 1.96 0.00 0.00 0.00 179.25 181.82 3fa3 h GLN 290 N 0.88 0.13 0.00 0.00 4.20 -1.13 0.92 115.11 120.11 3fa3 h GLN 290 Ca 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3fa3 h GLN 290 Cb 0.36 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3fa3 h GLN 290 CO 0.00 0.12 -0.07 0.00 -0.67 0.00 0.00 178.83 178.21 3fa3 h ALA 291 N 1.01 1.43 -0.97 3.87 0.00 -1.13 -3.38 119.26 120.09 3fa3 h ALA 291 Ca 0.04 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 55.15 3fa3 h ALA 291 Cb 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 3fa3 h ALA 291 CO -0.01 0.09 0.05 0.78 0.00 0.00 0.00 179.25 180.16 3fa3 h GLY 292 N 0.45 1.26 -7.30 0.00 0.00 -0.91 -3.46 103.07 93.11 3fa3 h GLY 292 Ca -0.00 0.13 -0.69 0.00 0.00 0.00 0.00 47.33 46.77 3fa3 h GLY 292 CO 0.01 -0.50 0.34 -0.32 0.00 0.00 0.00 176.54 176.07 3fa3 s GLY 293 N -4.26 1.81 -0.80 4.60 0.00 -1.26 -5.06 107.32 102.35 3fa3 s GLY 293 Ca -0.13 -2.37 -0.01 0.00 0.00 0.00 0.00 44.72 42.21 3fa3 s GLY 293 CO 0.78 1.73 1.96 0.00 0.00 0.00 0.00 173.10 177.56 3fa3 n ALA 294 N 6.41 6.39 -1.00 3.20 0.00 0.31 -4.93 120.51 130.90 3fa3 n ALA 294 Ca 0.01 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.38 3fa3 n ALA 294 Cb 0.45 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 295 N -0.58 0.00 -0.02 0.00 0.00 -1.24 -4.71 120.51 113.97 3fa3 n ALA 295 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3fa3 n ALA 295 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3fa3 n ALA 295 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fa3 n PHE 296 N 0.00 0.00 0.57 0.00 3.01 -1.26 -4.80 117.46 114.98 3fa3 n PHE 296 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 3fa3 n PHE 296 Cb 0.00 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 39.92 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3fa3 n ASP 297 N 0.00 0.58 -1.77 4.37 5.75 -1.26 -4.92 116.55 119.30 3fa3 n ASP 297 Ca 0.00 0.59 -0.10 0.00 -0.01 0.00 0.00 54.79 55.27 3fa3 n ASP 297 Cb 0.00 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.33 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa3 n GLY 298 N 0.69 0.39 2.13 6.12 0.00 -1.26 -1.31 105.19 111.95 3fa3 n GLY 298 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N -0.42 0.67 3.97 -0.02 0.00 -1.26 -5.04 105.19 103.09 3fa3 n GLY 299 Ca -0.11 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 3fa3 n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 300 N -2.12 3.63 0.00 1.61 1.01 -0.43 -5.27 120.40 118.83 3fa3 s VAL 300 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3fa3 s VAL 300 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3fa3 s VAL 300 CO 0.00 -0.20 0.00 0.47 0.00 0.00 0.00 175.10 175.37