#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 4.50 0.24 -0.52 -1.94 -1.26 -5.02 119.30 115.31 3fa3 s MET 3 Ca 0.00 1.83 0.07 0.00 -1.71 0.00 0.00 55.69 55.88 3fa3 s MET 3 Cb 0.00 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 3fa3 s MET 3 CO 0.00 -0.08 0.18 0.08 -0.01 0.00 0.00 175.02 175.20 3fa3 s VAL 4 N 0.05 4.42 -0.11 -6.03 1.01 -1.26 -5.12 120.40 113.36 3fa3 s VAL 4 Ca 0.53 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 3fa3 s VAL 4 Cb -0.32 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.73 3fa3 s VAL 4 CO 0.35 -0.32 0.26 0.28 0.00 0.00 0.00 175.10 175.66 3fa3 s THR 5 N -2.10 -0.03 0.64 3.92 -1.32 -1.26 -5.01 115.64 110.48 3fa3 s THR 5 Ca 0.33 0.12 0.26 0.00 -1.21 0.00 0.00 61.69 61.18 3fa3 s THR 5 Cb -0.08 -0.39 0.29 0.00 -1.51 0.00 0.00 72.50 70.81 3fa3 s THR 5 CO 0.25 0.05 1.76 0.00 -2.21 0.00 0.00 174.62 174.47 3fa3 h ALA 6 N 6.95 1.75 -0.86 11.08 0.00 -1.79 -1.91 119.26 134.46 3fa3 h ALA 6 Ca -0.38 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.72 3fa3 h ALA 6 Cb 1.16 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 3fa3 h ALA 6 CO 0.37 -0.60 0.38 0.00 0.00 0.00 0.00 179.25 179.39 3fa3 h ALA 7 N 1.16 1.34 0.39 0.00 0.00 -1.80 0.14 119.26 120.48 3fa3 h ALA 7 Ca 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3fa3 h ALA 7 Cb 1.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fa3 h ALA 7 CO -0.00 -0.28 -0.19 1.15 0.00 0.00 0.00 179.25 179.93 3fa3 h THR 8 N 0.44 0.60 -0.26 0.00 2.02 -1.58 0.34 112.91 114.47 3fa3 h THR 8 Ca 0.52 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 3fa3 h THR 8 Cb 0.92 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3fa3 h THR 8 CO -0.49 0.07 -0.23 0.28 0.37 0.00 0.00 175.52 175.52 3fa3 h SER 9 N -0.74 0.48 -0.29 4.18 0.02 -1.50 0.12 113.55 115.82 3fa3 h SER 9 Ca -0.05 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 3fa3 h SER 9 Cb 0.51 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3fa3 h SER 9 CO 0.09 0.72 -0.41 0.25 -1.14 0.00 0.00 176.83 176.33 3fa3 h LEU 10 N 0.43 0.86 -0.07 5.07 5.85 -1.02 -2.69 115.31 123.75 3fa3 h LEU 10 Ca 0.07 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.32 3fa3 h LEU 10 Cb 0.64 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3fa3 h LEU 10 CO 0.05 1.20 -0.19 -0.09 -0.34 0.00 0.00 178.44 179.06 3fa3 h ARG 11 N 0.54 -0.27 -1.03 1.25 2.43 0.76 0.11 114.38 118.17 3fa3 h ARG 11 Ca 0.03 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.50 3fa3 h ARG 11 Cb 1.01 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.56 3fa3 h ARG 11 CO 0.10 -0.18 0.71 -0.09 -1.51 0.00 0.00 179.97 179.00 3fa3 h ARG 12 N -0.28 0.18 0.21 0.20 2.43 -0.85 -1.67 114.38 114.60 3fa3 h ARG 12 Ca 0.08 -0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.94 3fa3 h ARG 12 Cb 0.39 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3fa3 h ARG 12 CO -0.23 0.12 -1.36 0.00 -1.51 0.00 0.00 179.97 176.99 3fa3 h ALA 13 N 1.54 -0.08 0.00 2.80 0.00 -0.94 -3.03 119.26 119.54 3fa3 h ALA 13 Ca 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fa3 h ALA 13 Cb 1.75 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3fa3 h ALA 13 CO -0.13 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3fa3 n LEU 14 N -3.82 0.00 0.13 0.00 4.77 0.28 -1.62 117.00 116.74 3fa3 n LEU 14 Ca -0.18 0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 55.97 3fa3 n LEU 14 Cb 1.02 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 41.55 3fa3 n LEU 14 CO 0.55 -0.14 -0.19 -0.33 -1.33 0.00 0.00 177.39 175.96 3fa3 h GLU 15 N 0.00 0.55 -6.37 3.23 5.08 -1.28 -3.44 114.58 112.35 3fa3 h GLU 15 Ca 0.00 -0.89 -0.57 0.00 -1.00 0.00 0.00 59.36 56.90 3fa3 h GLU 15 Cb 0.27 0.32 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3fa3 h GLU 15 CO 0.00 1.42 1.12 1.21 -1.00 0.00 0.00 179.01 181.76 3fa3 s ASN 16 N -7.52 6.30 0.47 1.42 3.84 -0.64 -4.95 114.94 113.86 3fa3 s ASN 16 Ca -0.09 1.25 0.36 0.00 0.21 0.00 0.00 52.86 54.59 3fa3 s ASN 16 Cb 0.04 -2.53 1.55 0.00 -0.55 0.00 0.00 41.25 39.76 3fa3 s ASN 16 CO 0.94 -1.38 1.59 -0.65 -2.79 0.00 0.00 177.10 174.80 3fa3 h PRO 17 N 10.97 0.01 0.14 0.43 0.11 -1.86 -2.66 132.00 139.14 3fa3 h PRO 17 Ca -0.31 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.58 3fa3 h PRO 17 Cb 1.13 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3fa3 h PRO 17 CO 1.04 0.01 -1.06 -0.44 -0.21 0.00 0.00 178.00 177.33 3fa3 h ASP 18 N 0.01 0.45 -1.66 -2.05 3.32 -1.92 -3.47 116.42 111.10 3fa3 h ASP 18 Ca 0.89 -0.91 -0.68 0.00 0.02 0.00 0.00 57.03 56.34 3fa3 h ASP 18 Cb 3.02 -0.15 0.06 0.00 0.22 0.00 0.00 39.33 42.49 3fa3 h ASP 18 CO -0.35 1.49 0.31 -1.20 -1.72 0.00 0.00 179.24 177.77 3fa3 n SER 19 N -4.04 1.24 -4.05 6.45 7.64 -1.00 -4.96 113.62 114.90 3fa3 n SER 19 Ca -0.18 1.13 -0.27 0.00 1.01 0.00 0.00 58.87 60.56 3fa3 n SER 19 Cb 0.86 -1.16 -0.17 0.00 -1.01 0.00 0.00 64.21 62.74 3fa3 n SER 19 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fa3 s PHE 20 N 0.14 1.80 -0.26 1.43 5.36 -1.26 -4.90 117.98 120.29 3fa3 s PHE 20 Ca 0.81 -0.78 -0.09 0.00 -0.96 0.00 0.00 56.93 55.90 3fa3 s PHE 20 Cb -0.96 -1.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 3fa3 s PHE 20 CO 0.50 -0.40 0.13 0.42 -1.46 0.00 0.00 175.22 174.41 3fa3 s ILE 21 N 0.86 4.86 -0.31 3.12 1.09 0.15 -4.97 121.20 126.00 3fa3 s ILE 21 Ca -0.10 0.01 -0.08 0.00 -1.10 0.00 0.00 60.65 59.39 3fa3 s ILE 21 Cb -0.15 -3.29 0.01 0.00 -1.06 0.00 0.00 42.46 37.96 3fa3 s ILE 21 CO 0.01 0.30 0.12 -0.69 -0.10 0.00 0.00 174.94 174.57 3fa3 s VAL 22 N 1.66 4.18 -0.29 2.92 1.01 -1.26 -0.93 120.40 127.69 3fa3 s VAL 22 Ca 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3fa3 s VAL 22 Cb -0.15 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.12 3fa3 s VAL 22 CO 0.07 0.00 0.11 0.00 0.00 0.00 0.00 175.10 175.29 3fa3 s ALA 23 N 1.52 0.98 0.69 5.51 0.00 -0.91 -3.69 121.76 125.87 3fa3 s ALA 23 Ca 0.03 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 3fa3 s ALA 23 Cb -0.18 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.49 3fa3 s ALA 23 CO 0.04 -1.62 1.06 -2.14 0.00 0.00 0.00 175.76 173.10 3fa3 s PRO 24 N 1.91 2.97 -0.42 0.00 0.02 -1.25 -2.81 135.00 135.41 3fa3 s PRO 24 Ca 0.09 0.78 -0.19 0.00 0.02 0.00 0.00 61.00 61.70 3fa3 s PRO 24 Cb -0.17 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3fa3 s PRO 24 CO -0.30 -1.03 0.52 0.20 -0.33 0.00 0.00 177.00 176.06 3fa3 s GLY 25 N -3.99 1.82 0.20 0.52 0.00 0.28 -0.75 107.32 105.40 3fa3 s GLY 25 Ca 0.58 -1.36 0.08 0.00 0.00 0.00 0.00 44.72 44.01 3fa3 s GLY 25 CO 0.54 1.30 0.03 -1.34 0.00 0.00 0.00 173.10 173.63 3fa3 s VAL 26 N 2.40 3.80 0.00 1.40 -7.23 0.17 -2.68 120.40 118.27 3fa3 s VAL 26 Ca 0.16 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3fa3 s VAL 26 Cb -0.16 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.83 3fa3 s VAL 26 CO 0.16 -0.19 0.56 0.00 -0.31 0.00 0.00 175.10 175.31 3fa3 n TYR 27 N -0.40 0.00 -3.33 2.82 4.11 -1.26 -1.94 117.16 117.15 3fa3 n TYR 27 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 3fa3 n TYR 27 Cb 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 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 3.85 -1.26 -4.49 116.55 124.16 3fa3 n ASP 28 Ca 0.00 -0.57 -0.19 0.00 -0.71 0.00 0.00 54.79 53.32 3fa3 n ASP 28 Cb 0.53 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.19 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3fa3 h GLY 29 N 0.00 0.64 0.80 6.12 0.00 -1.98 -3.00 103.07 105.65 3fa3 h GLY 29 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.15 3fa3 h GLY 29 CO 0.00 1.01 -0.35 1.41 0.00 0.00 0.00 176.54 178.61 3fa3 h LEU 30 N 0.17 -0.82 -0.88 3.11 3.38 -1.98 -1.09 115.31 117.21 3fa3 h LEU 30 Ca -0.11 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.05 3fa3 h LEU 30 Cb 1.55 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.41 3fa3 h LEU 30 CO 0.17 -0.47 0.43 0.77 0.09 0.00 0.00 178.44 179.43 3fa3 h SER 31 N -1.19 0.45 -0.42 -0.43 4.64 -1.97 0.15 113.55 114.78 3fa3 h SER 31 Ca -0.10 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3fa3 h SER 31 Cb 0.77 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 3fa3 h SER 31 CO 0.16 0.12 0.16 0.00 -0.87 0.00 0.00 176.83 176.40 3fa3 h ALA 32 N 1.63 0.55 0.00 5.18 0.00 -1.41 -2.52 119.26 122.70 3fa3 h ALA 32 Ca 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3fa3 h ALA 32 Cb 0.86 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fa3 h ALA 32 CO -0.44 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 178.88 3fa3 h ARG 33 N 0.54 0.00 0.16 0.00 2.47 0.57 -1.02 114.38 117.11 3fa3 h ARG 33 Ca 0.14 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.65 3fa3 h ARG 33 Cb 0.21 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.56 3fa3 h ARG 33 CO -0.01 0.10 -0.94 0.28 0.56 0.00 0.00 179.97 179.96 3fa3 h VAL 34 N 0.00 1.47 -0.54 2.04 2.07 -0.96 -1.52 116.25 118.82 3fa3 h VAL 34 Ca -0.00 -2.57 0.05 0.00 0.82 0.00 0.00 66.70 65.00 3fa3 h VAL 34 Cb 0.19 3.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 3fa3 h VAL 34 CO 0.01 0.73 0.36 0.00 0.02 0.00 0.00 177.57 178.70 3fa3 h ALA 35 N 0.10 1.81 -0.01 1.67 0.00 -1.26 0.29 119.26 121.87 3fa3 h ALA 35 Ca -0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fa3 h ALA 35 Cb 1.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3fa3 h ALA 35 CO 0.18 0.11 -0.01 -0.07 0.00 0.00 0.00 179.25 179.45 3fa3 h LEU 36 N 0.55 0.02 -2.27 0.00 4.07 -1.13 -2.92 115.31 113.64 3fa3 h LEU 36 Ca 0.23 -0.61 0.04 0.00 0.08 0.00 0.00 57.88 57.62 3fa3 h LEU 36 Cb 0.21 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3fa3 h LEU 36 CO -0.06 0.62 0.16 0.28 -1.08 0.00 0.00 178.44 178.36 3fa3 h SER 37 N -0.58 0.00 -0.01 -0.43 0.02 -0.74 -1.83 113.55 109.98 3fa3 h SER 37 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fa3 h SER 37 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3fa3 h SER 37 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3fa3 n ALA 38 N -2.34 2.64 -0.38 3.77 0.00 0.99 -4.92 120.51 120.27 3fa3 n ALA 38 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3fa3 n ALA 38 Cb 0.27 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3fa3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 39 N 0.97 0.73 3.73 0.00 0.00 -0.69 -5.05 105.19 104.88 3fa3 n GLY 39 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3fa3 n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa3 n PHE 40 N -2.12 2.38 -0.09 1.61 3.01 -1.21 -4.94 117.46 116.11 3fa3 n PHE 40 Ca 0.00 0.48 0.11 0.00 1.01 0.00 0.00 57.45 59.05 3fa3 n PHE 40 Cb 0.00 -2.42 0.26 0.00 -0.01 0.00 0.00 39.48 37.32 3fa3 n PHE 40 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 41 N 0.11 3.65 -3.44 4.37 8.00 -1.26 -4.83 116.55 123.14 3fa3 n ASP 41 Ca 0.06 -1.98 -0.13 0.00 0.71 0.00 0.00 54.79 53.45 3fa3 n ASP 41 Cb 0.40 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 s ALA 42 N -1.18 -1.64 0.09 2.24 0.00 -1.24 -4.16 121.76 115.87 3fa3 s ALA 42 Ca 0.42 0.65 0.06 0.00 0.00 0.00 0.00 51.96 53.09 3fa3 s ALA 42 Cb 0.23 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3fa3 s ALA 42 CO 0.31 -0.70 -0.15 -0.51 0.00 0.00 0.00 175.76 174.71 3fa3 s LEU 43 N -2.49 2.32 -0.15 0.00 1.43 -0.77 -3.97 118.68 115.05 3fa3 s LEU 43 Ca -0.01 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3fa3 s LEU 43 Cb -0.01 -0.56 0.01 0.00 0.03 0.00 0.00 46.19 45.67 3fa3 s LEU 43 CO -0.09 -0.09 -0.21 -0.47 0.23 0.00 0.00 176.35 175.72 3fa3 s TYR 44 N -1.53 2.64 -0.52 0.29 5.04 0.07 0.03 117.35 123.37 3fa3 s TYR 44 Ca 0.02 -1.41 -0.27 0.00 -2.44 0.00 0.00 57.07 52.97 3fa3 s TYR 44 Cb -0.08 -1.82 0.03 0.00 0.35 0.00 0.00 41.96 40.44 3fa3 s TYR 44 CO 0.03 -0.67 1.07 1.41 -1.34 0.00 0.00 175.55 176.05 3fa3 s MET 45 N 0.99 3.53 0.30 4.97 -2.45 -0.53 0.45 119.30 126.57 3fa3 s MET 45 Ca -0.03 0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 54.33 3fa3 s MET 45 Cb -0.15 -3.98 -0.09 0.00 1.25 0.00 0.00 34.83 31.86 3fa3 s MET 45 CO -0.06 -1.47 1.11 -0.08 1.05 0.00 0.00 175.02 175.58 3fa3 s THR 46 N 4.37 3.43 0.04 10.11 -1.32 -0.82 -2.51 115.64 128.94 3fa3 s THR 46 Ca 0.40 1.39 -0.22 0.00 -1.21 0.00 0.00 61.69 62.05 3fa3 s THR 46 Cb -0.09 -3.86 -0.14 0.00 -1.51 0.00 0.00 72.50 66.90 3fa3 s THR 46 CO 0.26 0.29 1.42 1.23 -2.21 0.00 0.00 174.62 175.61 3fa3 h GLY 47 N 3.56 0.24 0.99 6.08 0.00 -1.92 -1.38 103.07 110.66 3fa3 h GLY 47 Ca -0.47 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3fa3 h GLY 47 CO 0.66 0.19 0.29 0.00 0.00 0.00 0.00 176.54 177.67 3fa3 h ALA 48 N 0.69 0.58 -0.85 3.60 0.00 -1.96 -1.49 119.26 119.82 3fa3 h ALA 48 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fa3 h ALA 48 Cb 0.45 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3fa3 h ALA 48 CO 0.01 0.05 0.54 0.78 0.00 0.00 0.00 179.25 180.63 3fa3 h GLY 49 N 0.61 1.21 0.96 0.00 0.00 -1.87 -2.01 103.07 101.95 3fa3 h GLY 49 Ca 0.16 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.04 3fa3 h GLY 49 CO -0.03 0.46 0.42 -0.84 0.00 0.00 0.00 176.54 176.55 3fa3 h THR 50 N 1.15 1.13 -0.15 4.70 2.02 -0.40 -0.82 112.91 120.54 3fa3 h THR 50 Ca 0.31 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3fa3 h THR 50 Cb -0.10 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3fa3 h THR 50 CO -0.06 0.15 -0.09 0.00 0.37 0.00 0.00 175.52 175.89 3fa3 h ALA 51 N 1.25 1.57 -0.03 6.16 0.00 -0.62 0.37 119.26 127.96 3fa3 h ALA 51 Ca 0.24 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3fa3 h ALA 51 Cb -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fa3 h ALA 51 CO -0.07 0.31 -0.88 0.00 0.00 0.00 0.00 179.25 178.61 3fa3 h ALA 52 N 1.69 0.15 0.03 0.00 0.00 -0.53 -0.11 119.26 120.48 3fa3 h ALA 52 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3fa3 h ALA 52 Cb 0.31 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3fa3 h ALA 52 CO 0.02 0.60 -0.27 1.03 0.00 0.00 0.00 179.25 180.62 3fa3 h SER 53 N 0.30 0.19 -0.01 0.00 0.87 -1.06 0.27 113.55 114.10 3fa3 h SER 53 Ca -0.10 -0.90 -0.10 0.00 -1.23 0.00 0.00 61.79 59.46 3fa3 h SER 53 Cb 1.54 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.45 3fa3 h SER 53 CO 0.18 1.07 -0.39 0.58 -0.53 0.00 0.00 176.83 177.74 3fa3 h VAL 54 N -0.67 1.48 0.00 2.23 2.07 -0.38 -3.36 116.25 117.63 3fa3 h VAL 54 Ca -0.04 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3fa3 h VAL 54 Cb 1.14 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 3fa3 h VAL 54 CO 0.05 0.55 -1.35 1.41 0.02 0.00 0.00 177.57 178.25 3fa3 n HIS 55 N -4.39 0.00 -2.51 1.57 8.25 -0.98 -5.00 115.22 112.15 3fa3 n HIS 55 Ca -0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.29 3fa3 n HIS 55 Cb 0.56 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 1.58 0.31 3.26 -1.41 0.00 0.96 -4.97 105.19 104.92 3fa3 n GLY 56 Ca -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.91 1.10 0.58 1.61 2.00 -0.32 -4.93 119.66 114.77 3fa3 s GLN 57 Ca 0.10 -1.48 -0.06 0.00 -2.00 0.00 0.00 55.36 51.91 3fa3 s GLN 57 Cb -0.04 -0.59 -0.00 0.00 0.80 0.00 0.00 33.01 33.18 3fa3 s GLN 57 CO 0.12 0.04 0.89 0.00 -0.50 0.00 0.00 175.29 175.84 3fa3 s ALA 58 N -3.37 3.30 -1.19 1.58 0.00 -1.26 -3.02 121.76 117.80 3fa3 s ALA 58 Ca 0.19 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 3fa3 s ALA 58 Cb 0.03 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 3fa3 s ALA 58 CO 0.02 -0.73 1.86 0.34 0.00 0.00 0.00 175.76 177.25 3fa3 s ASP 59 N -4.27 5.59 -0.08 0.00 3.68 -1.26 -4.58 116.67 115.76 3fa3 s ASP 59 Ca 0.53 -1.81 0.15 0.00 2.13 0.00 0.00 52.55 53.55 3fa3 s ASP 59 Cb -0.11 -2.58 0.31 0.00 -1.45 0.00 0.00 42.92 39.09 3fa3 s ASP 59 CO 0.46 -2.47 1.14 0.18 0.13 0.00 0.00 175.17 174.61 3fa3 n LEU 60 N 12.50 1.45 -1.22 -1.34 4.77 -1.26 -2.08 117.00 129.82 3fa3 n LEU 60 Ca 0.45 -2.46 -0.12 0.00 -0.03 0.00 0.00 56.01 53.85 3fa3 n LEU 60 Cb 0.47 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3fa3 n LEU 60 CO 0.70 0.72 -0.14 0.61 -1.33 0.00 0.00 177.39 177.95 3fa3 n GLY 61 N -0.34 0.41 0.20 -0.72 0.00 -1.08 -4.33 105.19 99.33 3fa3 n GLY 61 Ca 0.10 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 0.55 -3.33 -0.61 1.08 -1.89 -3.45 117.51 109.85 3fa3 h ILE 62 Ca -0.27 -1.34 -0.53 0.00 -0.39 0.00 0.00 64.86 62.32 3fa3 h ILE 62 Cb 1.06 1.93 -0.00 0.00 -3.07 0.00 0.00 36.82 36.74 3fa3 h ILE 62 CO 0.35 0.25 0.51 0.00 -0.69 0.00 0.00 178.15 178.57 3fa3 s THR 64 N 0.67 4.49 0.23 0.00 2.01 -1.26 -4.90 115.64 116.88 3fa3 s THR 64 Ca 0.55 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 3fa3 s THR 64 Cb -0.28 -3.66 0.20 0.00 0.01 0.00 0.00 72.50 68.77 3fa3 s THR 64 CO 0.31 -0.49 1.69 0.25 -0.69 0.00 0.00 174.62 175.68 3fa3 h LEU 65 N 0.46 -0.03 -0.98 4.42 5.85 -1.95 -0.92 115.31 122.15 3fa3 h LEU 65 Ca -0.47 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3fa3 h LEU 65 Cb 1.23 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3fa3 h LEU 65 CO 0.59 -0.03 0.55 0.78 -0.34 0.00 0.00 178.44 180.00 3fa3 h ASN 66 N 0.25 1.11 0.36 1.25 4.21 -1.98 0.31 115.58 121.09 3fa3 h ASN 66 Ca 0.36 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.79 3fa3 h ASN 66 Cb 0.59 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3fa3 h ASN 66 CO -0.47 0.85 -0.17 0.44 -1.29 0.00 0.00 177.43 176.79 3fa3 h ASP 67 N 1.27 -0.41 -0.17 5.81 3.32 -1.57 -2.09 116.42 122.59 3fa3 h ASP 67 Ca 0.33 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3fa3 h ASP 67 Cb -0.05 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3fa3 h ASP 67 CO -0.06 -0.14 -0.11 0.24 -1.72 0.00 0.00 179.24 177.45 3fa3 h MET 68 N -0.68 0.37 -0.67 3.56 2.86 -1.18 -2.05 114.93 117.14 3fa3 h MET 68 Ca -0.05 -0.17 0.13 0.00 -2.06 0.00 0.00 59.70 57.55 3fa3 h MET 68 Cb 0.48 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 3fa3 h MET 68 CO 0.08 0.70 0.18 -0.09 1.06 0.00 0.00 176.91 178.84 3fa3 h ARG 69 N 0.03 0.29 -0.06 1.72 1.12 -0.43 0.36 114.38 117.42 3fa3 h ARG 69 Ca 0.03 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 3fa3 h ARG 69 Cb 0.60 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 3fa3 h ARG 69 CO 0.03 0.19 0.03 0.00 -3.11 0.00 0.00 179.97 177.12 3fa3 h ALA 70 N 1.53 0.07 0.01 2.80 0.00 -1.26 -0.69 119.26 121.73 3fa3 h ALA 70 Ca 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3fa3 h ALA 70 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fa3 h ALA 70 CO -0.44 -0.44 -0.01 -0.97 0.00 0.00 0.00 179.25 177.40 3fa3 h ASN 71 N 0.07 -0.01 -0.99 0.00 -1.24 -0.64 -2.03 115.58 110.74 3fa3 h ASN 71 Ca 0.02 -0.34 0.19 0.00 0.71 0.00 0.00 56.30 56.88 3fa3 h ASN 71 Cb -0.00 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 38.94 3fa3 h ASN 71 CO -0.01 0.34 0.58 0.00 -1.29 0.00 0.00 177.43 177.05 3fa3 h ALA 72 N 0.61 1.63 -0.45 1.57 0.00 -0.37 -2.43 119.26 119.82 3fa3 h ALA 72 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3fa3 h ALA 72 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fa3 h ALA 72 CO 0.00 -0.08 0.18 1.49 0.00 0.00 0.00 179.25 180.84 3fa3 h GLU 73 N 0.72 0.68 0.04 0.00 4.81 -0.41 -1.58 114.58 118.84 3fa3 h GLU 73 Ca 0.57 -0.13 -0.23 0.00 -0.13 0.00 0.00 59.36 59.45 3fa3 h GLU 73 Cb 0.91 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3fa3 h GLU 73 CO -0.40 0.62 -1.01 0.00 -0.73 0.00 0.00 179.01 177.50 3fa3 h MET 74 N 0.59 0.25 0.00 1.92 -0.00 -1.26 -2.02 114.93 114.41 3fa3 h MET 74 Ca 0.15 -0.32 -0.07 0.00 -0.00 0.00 0.00 59.70 59.46 3fa3 h MET 74 Cb 0.20 0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.89 3fa3 h MET 74 CO -0.01 1.07 -0.35 0.82 -0.00 0.00 0.00 176.91 178.44 3fa3 h ILE 75 N 0.11 0.91 -0.12 -0.10 2.04 -1.32 -2.49 117.51 116.55 3fa3 h ILE 75 Ca -0.07 -1.38 -0.16 0.00 1.00 0.00 0.00 64.86 64.25 3fa3 h ILE 75 Cb 1.68 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 3fa3 h ILE 75 CO 0.16 0.34 -0.59 0.28 0.00 0.00 0.00 178.15 178.34 3fa3 h SER 76 N 0.00 0.43 -0.02 1.72 0.02 -0.55 -3.32 113.55 111.84 3fa3 h SER 76 Ca -0.00 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3fa3 h SER 76 Cb 0.80 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3fa3 h SER 76 CO 0.05 0.93 -0.07 0.59 -1.14 0.00 0.00 176.83 177.18 3fa3 n ASN 77 N -3.91 2.57 0.07 3.07 3.02 -1.05 -3.60 115.26 115.43 3fa3 n ASN 77 Ca -0.03 -1.82 -0.13 0.00 -0.03 0.00 0.00 54.58 52.57 3fa3 n ASN 77 Cb 0.62 0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.80 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 3.93 0.20 -3.56 2.41 2.04 -1.55 -3.34 117.51 117.64 3fa3 h ILE 78 Ca 0.00 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.22 3fa3 h ILE 78 Cb 0.87 0.20 -0.40 0.00 -0.74 0.00 0.00 36.82 36.76 3fa3 h ILE 78 CO 0.00 0.00 -0.74 -0.55 0.00 0.00 0.00 178.15 176.86 3fa3 s SER 79 N -4.80 4.47 0.55 1.72 0.15 -1.25 -5.03 113.70 109.51 3fa3 s SER 79 Ca -0.16 -1.88 0.27 0.00 0.70 0.00 0.00 55.95 54.88 3fa3 s SER 79 Cb 0.08 -1.39 1.45 0.00 -1.71 0.00 0.00 66.02 64.46 3fa3 s SER 79 CO 0.64 -0.36 1.97 -0.65 1.20 0.00 0.00 173.24 176.04 3fa3 h PRO 80 N 7.78 0.00 -0.01 5.44 0.11 -1.69 -2.34 132.00 141.30 3fa3 h PRO 80 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3fa3 h PRO 80 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fa3 h PRO 80 CO 0.49 0.00 -0.55 -1.13 -0.21 0.00 0.00 178.00 176.60 3fa3 n SER 81 N -4.18 1.22 -4.66 -2.05 3.41 -1.26 -3.98 113.62 102.12 3fa3 n SER 81 Ca 0.10 -0.98 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 3fa3 n SER 81 Cb 0.63 0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.71 4.80 0.24 6.66 2.01 -0.88 -4.87 115.64 120.88 3fa3 s THR 82 Ca 0.16 1.74 -0.31 0.00 0.31 0.00 0.00 61.69 63.59 3fa3 s THR 82 Cb 0.18 -4.19 -0.11 0.00 0.01 0.00 0.00 72.50 68.39 3fa3 s THR 82 CO 0.66 -0.08 1.61 -2.16 -0.69 0.00 0.00 174.62 173.96 3fa3 s PRO 83 N 2.74 4.16 -0.19 4.92 0.04 -1.26 -4.89 135.00 140.52 3fa3 s PRO 83 Ca 0.39 2.51 -0.05 0.00 0.04 0.00 0.00 61.00 63.90 3fa3 s PRO 83 Cb -0.16 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 3fa3 s PRO 83 CO 0.09 -0.64 -0.01 0.08 0.04 0.00 0.00 177.00 176.55 3fa3 s VAL 84 N 0.57 3.87 -0.15 -0.36 1.01 -1.26 -1.84 120.40 122.25 3fa3 s VAL 84 Ca 0.68 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 3fa3 s VAL 84 Cb -0.47 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3fa3 s VAL 84 CO 0.39 0.44 0.24 -0.63 0.00 0.00 0.00 175.10 175.55 3fa3 s ILE 85 N 0.88 5.33 -0.07 2.22 1.01 0.10 -1.01 121.20 129.66 3fa3 s ILE 85 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.11 3fa3 s ILE 85 Cb -0.14 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.78 3fa3 s ILE 85 CO 0.02 0.46 -0.10 0.00 0.00 0.00 0.00 174.94 175.32 3fa3 s ALA 86 N 0.02 1.14 0.31 9.38 0.00 1.00 -1.46 121.76 132.15 3fa3 s ALA 86 Ca 0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 3fa3 s ALA 86 Cb -0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.28 3fa3 s ALA 86 CO 0.04 -0.01 1.56 0.34 0.00 0.00 0.00 175.76 177.68 3fa3 s ASP 87 N 0.92 6.39 -0.01 0.00 -1.08 -1.04 -2.87 116.67 118.97 3fa3 s ASP 87 Ca -0.10 2.95 0.02 0.00 -0.52 0.00 0.00 52.55 54.90 3fa3 s ASP 87 Cb -0.15 -2.64 0.03 0.00 -1.46 0.00 0.00 42.92 38.70 3fa3 s ASP 87 CO 0.01 -0.89 0.79 0.00 0.52 0.00 0.00 175.17 175.60 3fa3 n ALA 88 N 1.79 1.58 -0.77 3.66 0.00 -1.07 -4.80 120.51 120.90 3fa3 n ALA 88 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3fa3 n ALA 88 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.22 0.00 -0.58 0.00 8.00 -1.17 -1.94 116.55 120.64 3fa3 n ASP 89 Ca 0.02 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.57 3fa3 n ASP 89 Cb 0.54 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.79 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 1.28 -0.10 -3.53 -2.24 -1.26 -0.85 114.28 107.58 3fa3 n THR 90 Ca 0.00 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 3fa3 n THR 90 Cb 0.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.11 0.89 2.46 3.38 0.00 -0.82 -4.43 105.19 106.78 3fa3 n GLY 91 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.08 -0.12 0.00 1.61 4.02 -1.26 -3.11 117.16 116.22 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 -2.89 0.00 0.00 -0.02 0.00 0.00 39.34 36.43 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 -0.13 -0.47 0.00 2.72 0.00 -1.26 -4.88 105.19 101.17 3fa3 n GLY 93 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.90 0.26 -0.02 0.00 -1.26 -4.77 105.19 101.29 3fa3 n GLY 94 Ca 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.02 -0.79 1.61 0.11 -1.93 0.33 132.00 131.31 3fa3 h PRO 95 Ca 0.00 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.29 3fa3 h PRO 95 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 3fa3 h PRO 95 CO 0.00 -0.01 0.26 0.82 -0.21 0.00 0.00 178.00 178.86 3fa3 h ILE 96 N -0.02 0.52 0.15 4.15 2.04 -1.98 -1.61 117.51 120.76 3fa3 h ILE 96 Ca 0.30 -0.11 -0.31 0.00 1.00 0.00 0.00 64.86 65.74 3fa3 h ILE 96 Cb 0.48 0.15 0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3fa3 h ILE 96 CO -0.66 0.06 -1.31 0.24 0.00 0.00 0.00 178.15 176.48 3fa3 h MET 97 N 0.33 0.61 -0.68 2.37 2.86 -1.07 -3.09 114.93 116.27 3fa3 h MET 97 Ca 0.46 -0.86 0.09 0.00 -2.06 0.00 0.00 59.70 57.32 3fa3 h MET 97 Cb 0.81 0.29 -0.07 0.00 0.06 0.00 0.00 31.60 32.69 3fa3 h MET 97 CO -0.51 1.40 0.33 0.28 1.06 0.00 0.00 176.91 179.48 3fa3 h VAL 98 N 0.25 0.86 -0.21 -2.22 2.07 0.02 -1.61 116.25 115.41 3fa3 h VAL 98 Ca -0.21 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3fa3 h VAL 98 Cb 1.98 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3fa3 h VAL 98 CO 0.25 0.11 -0.15 0.00 0.02 0.00 0.00 177.57 177.79 3fa3 h ALA 99 N 1.41 0.00 -0.93 1.67 0.00 -1.40 0.15 119.26 120.17 3fa3 h ALA 99 Ca 0.33 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.39 3fa3 h ALA 99 Cb 0.33 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3fa3 h ALA 99 CO -0.26 -0.58 0.60 0.00 0.00 0.00 0.00 179.25 179.02 3fa3 h ARG 100 N -0.15 1.02 -0.04 0.00 2.47 -1.38 0.56 114.38 116.87 3fa3 h ARG 100 Ca 0.12 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 3fa3 h ARG 100 Cb 0.33 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3fa3 h ARG 100 CO -0.30 0.68 -0.03 1.15 0.56 0.00 0.00 179.97 182.02 3fa3 h THR 101 N 1.05 1.37 0.07 2.04 2.02 -0.30 -0.62 112.91 118.54 3fa3 h THR 101 Ca 0.40 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3fa3 h THR 101 Cb 0.21 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 3fa3 h THR 101 CO -0.15 0.31 -0.41 0.74 0.37 0.00 0.00 175.52 176.38 3fa3 h THR 102 N -0.36 0.17 -0.68 3.16 2.02 -0.41 0.41 112.91 117.21 3fa3 h THR 102 Ca 0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 3fa3 h THR 102 Cb 0.52 0.17 -0.11 0.00 -1.74 0.00 0.00 68.15 66.99 3fa3 h THR 102 CO 0.01 0.00 0.08 -0.33 0.37 0.00 0.00 175.52 175.64 3fa3 h GLU 103 N -0.61 0.17 -0.05 6.66 5.08 0.27 -0.64 114.58 125.46 3fa3 h GLU 103 Ca 0.03 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3fa3 h GLU 103 Cb 0.66 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3fa3 h GLU 103 CO -0.27 0.11 -0.41 1.96 -1.00 0.00 0.00 179.01 179.40 3fa3 h GLN 104 N 0.18 0.36 -0.90 2.33 4.20 -0.12 -1.06 115.11 120.09 3fa3 h GLN 104 Ca 0.37 -0.33 0.10 0.00 0.06 0.00 0.00 58.65 58.85 3fa3 h GLN 104 Cb 0.62 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.42 3fa3 h GLN 104 CO -0.54 0.98 0.58 1.88 -0.67 0.00 0.00 178.83 181.07 3fa3 h TYR 105 N -0.15 0.98 0.17 2.96 -1.99 0.04 -0.88 116.97 118.10 3fa3 h TYR 105 Ca -0.04 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 3fa3 h TYR 105 Cb 1.09 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.50 3fa3 h TYR 105 CO 0.14 0.45 -0.08 0.77 -0.00 0.00 0.00 178.16 179.44 3fa3 h SER 106 N 0.91 -0.20 0.04 3.88 0.02 -0.56 -1.49 113.55 116.15 3fa3 h SER 106 Ca 0.42 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3fa3 h SER 106 Cb 0.39 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3fa3 h SER 106 CO -0.18 -0.00 -0.02 0.03 -1.14 0.00 0.00 176.83 175.52 3fa3 h ARG 107 N -0.39 0.00 0.00 3.45 3.08 -0.99 -2.80 114.38 116.73 3fa3 h ARG 107 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3fa3 h ARG 107 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3fa3 h ARG 107 CO 0.04 0.02 0.00 0.43 -1.07 0.00 0.00 179.97 179.39 3fa3 n SER 108 N -3.96 0.67 0.00 7.04 7.64 -0.36 -4.90 113.62 119.76 3fa3 n SER 108 Ca -0.03 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3fa3 n SER 108 Cb 0.10 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 0.56 0.75 3.71 0.23 0.00 -1.06 -4.71 105.19 104.69 3fa3 n GLY 109 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.36 3.17 -0.26 1.61 1.01 -0.66 -4.52 120.40 118.39 3fa3 s VAL 110 Ca 0.00 0.80 0.19 0.00 0.00 0.00 0.00 61.98 62.97 3fa3 s VAL 110 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.99 3fa3 s VAL 110 CO 0.00 0.05 1.36 0.00 0.00 0.00 0.00 175.10 176.51 3fa3 h ALA 111 N 7.07 0.76 -1.57 5.51 0.00 -1.40 -3.41 119.26 126.21 3fa3 h ALA 111 Ca -0.42 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.28 3fa3 h ALA 111 Cb 1.20 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 3fa3 h ALA 111 CO 0.89 0.36 0.52 0.00 0.00 0.00 0.00 179.25 181.01 3fa3 s ALA 112 N -3.10 -1.94 0.18 0.00 0.00 -0.88 -2.78 121.76 113.24 3fa3 s ALA 112 Ca 0.03 1.66 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 3fa3 s ALA 112 Cb 0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 3fa3 s ALA 112 CO 0.73 -0.29 0.26 -0.59 0.00 0.00 0.00 175.76 175.88 3fa3 s PHE 113 N -0.74 0.61 -0.04 0.00 -0.12 -0.46 -0.00 117.98 117.23 3fa3 s PHE 113 Ca -0.01 -0.95 -0.01 0.00 -0.05 0.00 0.00 56.93 55.92 3fa3 s PHE 113 Cb -0.02 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 3fa3 s PHE 113 CO -0.00 -0.73 0.01 -3.38 -0.05 0.00 0.00 175.22 171.06 3fa3 s HIS 114 N -4.03 0.38 -0.15 3.49 -3.43 -1.14 -0.62 115.29 109.80 3fa3 s HIS 114 Ca 0.24 -0.00 -0.02 0.00 -0.80 0.00 0.00 55.06 54.48 3fa3 s HIS 114 Cb 0.04 -0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 30.62 3fa3 s HIS 114 CO 0.05 -0.20 -0.09 0.42 -2.00 0.00 0.00 174.74 172.92 3fa3 s ILE 115 N 1.53 3.37 0.36 -5.38 1.09 -0.91 -2.59 121.20 118.67 3fa3 s ILE 115 Ca -0.02 -0.54 0.05 0.00 -1.10 0.00 0.00 60.65 59.04 3fa3 s ILE 115 Cb -0.13 -2.45 0.05 0.00 -1.06 0.00 0.00 42.46 38.87 3fa3 s ILE 115 CO -0.03 0.50 0.42 -1.84 -0.10 0.00 0.00 174.94 173.89 3fa3 n GLU 116 N 3.70 0.83 -0.40 2.79 0.28 -0.03 -1.93 120.64 125.89 3fa3 n GLU 116 Ca -0.18 -2.06 0.07 0.00 -0.16 0.00 0.00 57.16 54.82 3fa3 n GLU 116 Cb 0.52 -0.01 0.21 0.00 1.43 0.00 0.00 31.44 33.60 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 -2.32 3.06 -4.92 -1.84 5.68 -1.26 -4.70 116.55 110.26 3fa3 n ASP 117 Ca 0.06 -3.22 -0.27 0.00 -0.50 0.00 0.00 54.79 50.87 3fa3 n ASP 117 Cb 0.39 -0.52 0.05 0.00 -1.14 0.00 0.00 41.12 39.89 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 -2.94 2.65 0.61 0.11 -0.21 -1.26 -0.49 119.66 118.13 3fa3 s GLN 118 Ca 0.39 -0.03 -0.18 0.00 0.02 0.00 0.00 55.36 55.57 3fa3 s GLN 118 Cb 0.34 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.12 3fa3 s GLN 118 CO 0.05 -0.94 1.20 0.14 -2.12 0.00 0.00 175.29 173.62 3fa3 s VAL 119 N -3.14 2.63 0.28 1.09 -7.23 -1.07 -4.38 120.40 108.58 3fa3 s VAL 119 Ca 0.57 0.38 0.02 0.00 -1.81 0.00 0.00 61.98 61.13 3fa3 s VAL 119 Cb -0.11 -3.11 0.28 0.00 0.56 0.00 0.00 36.38 34.00 3fa3 s VAL 119 CO 0.46 -0.10 1.69 -0.61 -0.31 0.00 0.00 175.10 176.23 3fa3 h GLN 120 N 0.73 0.35 -4.79 4.82 4.15 -1.94 -2.89 115.11 115.55 3fa3 h GLN 120 Ca -0.50 -0.02 -0.61 0.00 0.77 0.00 0.00 58.65 58.29 3fa3 h GLN 120 Cb 1.30 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 3fa3 h GLN 120 CO 0.55 0.23 2.29 0.25 -1.93 0.00 0.00 178.83 180.21 3fa3 n THR 121 N -5.08 2.70 -2.05 2.39 -2.24 -1.26 -4.82 114.28 103.92 3fa3 n THR 121 Ca 0.20 -2.54 -0.28 0.00 -2.27 0.00 0.00 64.05 59.16 3fa3 n THR 121 Cb 0.61 -2.38 0.10 0.00 -2.10 0.00 0.00 70.33 66.56 3fa3 n THR 121 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3fa3 s LYS 122 N 4.62 1.78 0.12 -0.78 0.00 -1.09 -4.86 119.74 119.54 3fa3 s LYS 122 Ca 0.56 -0.18 0.03 0.00 0.00 0.00 0.00 55.97 56.38 3fa3 s LYS 122 Cb 0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 37.83 35.85 3fa3 s LYS 122 CO 0.06 -1.62 -0.08 -0.98 0.00 0.00 0.00 175.35 172.73 3fa3 s ARG 123 N -5.50 0.95 0.11 1.78 1.70 -1.26 -2.64 118.95 114.08 3fa3 s ARG 123 Ca 0.64 -1.39 -0.34 0.00 -0.47 0.00 0.00 55.73 54.17 3fa3 s ARG 123 Cb -0.09 -0.40 -0.18 0.00 -0.57 0.00 0.00 34.95 33.70 3fa3 s ARG 123 CO 0.48 0.03 0.79 0.00 -1.08 0.00 0.00 175.30 175.51 3fa3 h GLY 125 N 1.97 0.00 -2.35 0.00 0.00 -2.00 -1.68 103.07 99.02 3fa3 h GLY 125 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3fa3 h GLY 125 CO 0.61 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.57 3fa3 n HIS 126 N -3.59 1.01 -3.74 5.60 8.25 -1.26 -4.80 115.22 116.70 3fa3 n HIS 126 Ca -0.02 -0.43 -0.32 0.00 -0.26 0.00 0.00 57.72 56.68 3fa3 n HIS 126 Cb 0.15 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.34 4.31 0.61 2.41 1.43 -0.63 -4.86 118.68 120.61 3fa3 s LEU 127 Ca 0.39 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 3fa3 s LEU 127 Cb 0.23 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 3fa3 s LEU 127 CO 0.22 0.12 1.13 0.00 0.23 0.00 0.00 176.35 178.05 3fa3 s ALA 128 N -1.54 2.55 0.00 4.21 0.00 -1.26 -4.42 121.76 121.30 3fa3 s ALA 128 Ca 0.37 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3fa3 s ALA 128 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3fa3 s ALA 128 CO 0.23 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3fa3 n GLY 129 N -0.16 0.67 3.63 0.00 0.00 -1.26 -5.02 105.19 103.05 3fa3 n GLY 129 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.78 1.64 -4.44 1.61 5.02 -1.26 -5.01 118.16 113.93 3fa3 n LYS 130 Ca 0.00 0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 56.55 3fa3 n LYS 130 Cb 0.00 -2.20 -0.10 0.00 -0.02 0.00 0.00 35.03 32.71 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 0.09 3.73 0.25 -0.18 1.01 -1.26 -4.90 121.20 119.94 3fa3 s ILE 131 Ca 0.73 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3fa3 s ILE 131 Cb -0.76 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 3fa3 s ILE 131 CO 0.49 0.41 0.01 -0.76 0.00 0.00 0.00 174.94 175.09 3fa3 s LEU 132 N -1.38 2.18 0.25 2.97 1.43 -1.26 -2.59 118.68 120.28 3fa3 s LEU 132 Ca 0.17 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3fa3 s LEU 132 Cb -0.11 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 3fa3 s LEU 132 CO 0.07 -0.53 0.40 0.54 0.23 0.00 0.00 176.35 177.07 3fa3 s VAL 133 N -3.38 5.22 0.96 -1.59 0.11 0.36 -4.58 120.40 117.51 3fa3 s VAL 133 Ca 0.31 -0.75 -0.11 0.00 -2.93 0.00 0.00 61.98 58.49 3fa3 s VAL 133 Cb 0.06 -3.83 0.17 0.00 -1.53 0.00 0.00 36.38 31.25 3fa3 s VAL 133 CO 0.11 -0.35 1.09 1.51 -3.33 0.00 0.00 175.10 174.13 3fa3 s ASP 134 N -3.82 2.73 0.16 3.54 -4.77 -1.26 -4.85 116.67 108.40 3fa3 s ASP 134 Ca 0.36 1.69 -0.21 0.00 -3.30 0.00 0.00 52.55 51.10 3fa3 s ASP 134 Cb -0.10 -2.33 0.05 0.00 -1.09 0.00 0.00 42.92 39.46 3fa3 s ASP 134 CO 0.31 -3.14 1.64 0.74 0.70 0.00 0.00 175.17 175.42 3fa3 h THR 135 N -1.89 0.44 -0.22 2.11 2.02 -1.98 -2.76 112.91 110.63 3fa3 h THR 135 Ca -0.51 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.73 3fa3 h THR 135 Cb 1.29 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 3fa3 h THR 135 CO 0.50 0.00 -0.19 0.44 0.37 0.00 0.00 175.52 176.64 3fa3 h ASP 136 N -0.17 -0.60 -0.47 4.18 3.32 -2.00 0.56 116.42 121.24 3fa3 h ASP 136 Ca 0.16 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.38 3fa3 h ASP 136 Cb 0.42 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 3fa3 h ASP 136 CO -0.41 -0.23 0.31 0.74 -1.72 0.00 0.00 179.24 177.94 3fa3 h THR 137 N -0.19 0.98 0.09 0.35 2.02 -1.91 -2.27 112.91 111.98 3fa3 h THR 137 Ca 0.13 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3fa3 h THR 137 Cb 0.39 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3fa3 h THR 137 CO -0.34 0.07 -0.04 0.22 0.37 0.00 0.00 175.52 175.80 3fa3 h TYR 138 N 0.41 -0.12 -0.71 3.16 3.20 -0.73 -2.67 116.97 119.52 3fa3 h TYR 138 Ca 0.20 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.20 3fa3 h TYR 138 Cb 0.28 0.04 -0.13 0.00 1.54 0.00 0.00 36.73 38.45 3fa3 h TYR 138 CO -0.00 0.35 -0.24 0.28 -1.64 0.00 0.00 178.16 176.91 3fa3 h VAL 139 N -0.65 0.22 -0.71 1.81 2.07 -0.88 0.26 116.25 118.36 3fa3 h VAL 139 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 3fa3 h VAL 139 Cb 0.52 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3fa3 h VAL 139 CO 0.02 0.00 0.50 0.74 0.02 0.00 0.00 177.57 178.85 3fa3 h THR 140 N -0.05 0.71 -0.60 2.57 2.02 -1.34 -0.62 112.91 115.61 3fa3 h THR 140 Ca 0.32 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 3fa3 h THR 140 Cb 0.55 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3fa3 h THR 140 CO -0.75 0.03 0.05 0.03 0.37 0.00 0.00 175.52 175.25 3fa3 h ARG 141 N 0.17 1.02 0.03 6.66 3.08 -0.12 -2.27 114.38 122.95 3fa3 h ARG 141 Ca 0.35 -0.30 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 3fa3 h ARG 141 Cb 1.12 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.08 3fa3 h ARG 141 CO -0.06 0.98 -0.86 0.82 -1.07 0.00 0.00 179.97 179.78 3fa3 h ILE 142 N 0.92 1.36 -0.50 2.04 1.08 -1.08 -2.48 117.51 118.84 3fa3 h ILE 142 Ca 0.18 -2.22 -0.04 0.00 -0.39 0.00 0.00 64.86 62.39 3fa3 h ILE 142 Cb 0.49 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.79 3fa3 h ILE 142 CO 0.02 0.66 0.18 -0.09 -0.69 0.00 0.00 178.15 178.23 3fa3 h ARG 143 N 0.10 0.77 -0.71 2.37 2.43 -1.16 0.31 114.38 118.49 3fa3 h ARG 143 Ca -0.11 -0.15 0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3fa3 h ARG 143 Cb 1.55 -0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.86 3fa3 h ARG 143 CO 0.17 0.70 -0.07 0.00 -1.51 0.00 0.00 179.97 179.26 3fa3 h ALA 144 N 1.03 0.63 -0.08 2.80 0.00 -1.37 0.30 119.26 122.57 3fa3 h ALA 144 Ca 0.17 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 3fa3 h ALA 144 Cb 0.24 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3fa3 h ALA 144 CO -0.01 -0.42 -0.21 0.00 0.00 0.00 0.00 179.25 178.61 3fa3 h ALA 145 N 1.68 0.14 -0.04 0.00 0.00 -0.31 0.17 119.26 120.90 3fa3 h ALA 145 Ca 0.37 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3fa3 h ALA 145 Cb 0.61 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3fa3 h ALA 145 CO -0.66 0.10 -0.23 0.28 0.00 0.00 0.00 179.25 178.74 3fa3 h VAL 146 N -0.19 0.47 -0.54 0.00 2.07 -0.27 -1.10 116.25 116.68 3fa3 h VAL 146 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3fa3 h VAL 146 Cb 0.82 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3fa3 h VAL 146 CO 0.05 0.00 0.05 1.56 0.02 0.00 0.00 177.57 179.25 3fa3 h GLN 147 N -0.33 0.89 -0.85 1.57 4.20 -0.30 -1.90 115.11 118.38 3fa3 h GLN 147 Ca 0.07 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.57 3fa3 h GLN 147 Cb 0.44 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3fa3 h GLN 147 CO -0.23 0.85 0.56 0.00 -0.67 0.00 0.00 178.83 179.34 3fa3 h ALA 148 N 1.22 1.40 0.39 3.87 0.00 -0.49 -2.31 119.26 123.35 3fa3 h ALA 148 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 148 Cb 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fa3 h ALA 148 CO 0.01 0.55 -0.19 -0.09 0.00 0.00 0.00 179.25 179.53 3fa3 h ARG 149 N 1.14 -0.51 -0.54 0.00 2.43 -0.43 -3.05 114.38 113.41 3fa3 h ARG 149 Ca 0.32 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3fa3 h ARG 149 Cb -0.11 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3fa3 h ARG 149 CO -0.07 -0.33 0.09 1.96 -1.51 0.00 0.00 179.97 180.11 3fa3 h GLN 150 N -0.55 0.90 -0.41 0.20 4.20 -1.25 0.46 115.11 118.66 3fa3 h GLN 150 Ca -0.05 -0.24 0.08 0.00 0.06 0.00 0.00 58.65 58.50 3fa3 h GLN 150 Cb 0.42 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 3fa3 h GLN 150 CO 0.09 0.87 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.93 3fa3 h ARG 151 N 0.79 0.00 -0.01 1.46 2.43 -1.45 -1.53 114.38 116.07 3fa3 h ARG 151 Ca 0.16 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3fa3 h ARG 151 Cb 0.41 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3fa3 h ARG 151 CO 0.01 0.00 -0.03 0.44 -1.51 0.00 0.00 179.97 178.88 3fa3 n ILE 152 N -5.31 0.00 -1.70 1.20 -5.35 -0.69 -4.91 119.36 102.60 3fa3 n ILE 152 Ca 0.02 -0.11 -0.09 0.00 -0.27 0.00 0.00 62.75 62.30 3fa3 n ILE 152 Cb 0.22 -0.01 -0.02 0.00 -1.74 0.00 0.00 39.64 38.09 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 1.14 0.55 3.74 3.28 0.00 -0.03 -4.97 105.19 108.89 3fa3 n GLY 153 Ca 0.20 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.76 7.30 0.00 1.61 0.15 -0.15 -4.93 113.70 114.93 3fa3 s SER 154 Ca 0.00 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.21 3fa3 s SER 154 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3fa3 s SER 154 CO 0.00 -0.03 0.82 0.47 1.20 0.00 0.00 173.24 175.70 3fa3 n ASP 155 N 2.91 0.24 -4.76 5.45 8.00 -1.26 -4.61 116.55 122.51 3fa3 n ASP 155 Ca -0.00 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.23 3fa3 n ASP 155 Cb 0.50 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 3fa3 n ASP 155 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3fa3 s ILE 156 N -1.75 2.19 -0.13 0.53 2.07 -1.26 -4.54 121.20 118.32 3fa3 s ILE 156 Ca 0.00 0.16 -0.19 0.00 -1.41 0.00 0.00 60.65 59.21 3fa3 s ILE 156 Cb 0.00 -3.09 -0.04 0.00 0.13 0.00 0.00 42.46 39.46 3fa3 s ILE 156 CO 0.00 0.01 0.51 -0.69 -1.91 0.00 0.00 174.94 172.86 3fa3 s VAL 157 N -1.27 5.16 -0.46 4.00 1.01 -1.12 -4.99 120.40 122.73 3fa3 s VAL 157 Ca 0.65 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 3fa3 s VAL 157 Cb -0.41 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.22 3fa3 s VAL 157 CO 0.51 0.29 0.34 -0.69 0.00 0.00 0.00 175.10 175.55 3fa3 s VAL 158 N 0.84 4.48 -0.30 2.92 1.01 -1.26 -1.35 120.40 126.74 3fa3 s VAL 158 Ca 0.27 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 3fa3 s VAL 158 Cb -0.15 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3fa3 s VAL 158 CO 0.11 -0.66 0.62 -0.63 0.00 0.00 0.00 175.10 174.55 3fa3 s ILE 159 N 1.45 4.95 -0.32 2.22 1.01 0.21 0.78 121.20 131.50 3fa3 s ILE 159 Ca 0.04 0.89 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 3fa3 s ILE 159 Cb -0.25 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 3fa3 s ILE 159 CO 0.02 -0.10 0.27 0.00 0.00 0.00 0.00 174.94 175.12 3fa3 s ALA 160 N 2.57 3.52 0.07 9.38 0.00 -0.48 -2.13 121.76 134.69 3fa3 s ALA 160 Ca 0.25 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 3fa3 s ALA 160 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3fa3 s ALA 160 CO 0.11 -0.86 0.24 0.50 0.00 0.00 0.00 175.76 175.75 3fa3 s ARG 161 N 1.83 3.48 -0.03 0.00 3.52 -0.81 -0.92 118.95 126.02 3fa3 s ARG 161 Ca 0.08 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 3fa3 s ARG 161 Cb -0.17 -3.01 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3fa3 s ARG 161 CO 0.11 0.59 -0.15 -0.08 -0.81 0.00 0.00 175.30 174.96 3fa3 s THR 162 N -1.52 1.21 -1.16 4.11 -1.32 0.18 -4.04 115.64 113.10 3fa3 s THR 162 Ca 0.35 -0.61 0.18 0.00 -1.21 0.00 0.00 61.69 60.40 3fa3 s THR 162 Cb -0.13 -1.04 0.73 0.00 -1.51 0.00 0.00 72.50 70.55 3fa3 s THR 162 CO 0.26 0.35 1.63 0.47 -2.21 0.00 0.00 174.62 175.13 3fa3 n ASP 163 N 3.04 4.78 0.08 8.08 8.00 -1.26 -1.87 116.55 137.40 3fa3 n ASP 163 Ca -0.17 -2.44 0.10 0.00 0.71 0.00 0.00 54.79 52.99 3fa3 n ASP 163 Cb 0.54 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 3fa3 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa3 n SER 164 N 1.15 0.75 -0.31 -2.24 3.41 -1.26 -3.79 113.62 111.32 3fa3 n SER 164 Ca 0.26 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 3fa3 n SER 164 Cb 0.89 0.60 0.16 0.00 -0.26 0.00 0.00 64.21 65.60 3fa3 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa3 h LEU 165 N 0.00 -0.68 -0.83 1.04 5.85 -1.83 0.61 115.31 119.47 3fa3 h LEU 165 Ca -0.03 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3fa3 h LEU 165 Cb 1.08 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 3fa3 h LEU 165 CO 0.01 -0.29 0.41 0.06 -0.34 0.00 0.00 178.44 178.28 3fa3 h GLN 166 N 0.02 1.20 0.03 1.25 3.07 -1.88 0.29 115.11 119.09 3fa3 h GLN 166 Ca 0.47 -0.17 -0.37 0.00 0.09 0.00 0.00 58.65 58.66 3fa3 h GLN 166 Cb 0.80 -0.22 -0.05 0.00 0.08 0.00 0.00 27.48 28.09 3fa3 h GLN 166 CO -0.88 0.91 -2.14 0.25 0.09 0.00 0.00 178.83 177.06 3fa3 n THR 167 N -4.33 1.59 1.19 1.86 -2.24 -0.65 -4.63 114.28 107.07 3fa3 n THR 167 Ca 0.08 -0.45 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3fa3 n THR 167 Cb 0.13 -1.73 0.26 0.00 -2.10 0.00 0.00 70.33 66.89 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 -3.77 0.00 -0.13 4.78 8.25 0.20 -5.10 115.22 119.46 3fa3 n HIS 168 Ca -0.42 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.06 3fa3 n HIS 168 Cb 0.92 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 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 1.29 -2.09 0.13 -1.41 0.00 0.09 -4.22 105.19 98.98 3fa3 n GLY 169 Ca 0.15 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.12 0.32 -0.56 1.61 3.20 -1.90 -3.02 116.97 116.50 3fa3 h TYR 170 Ca -0.01 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3fa3 h TYR 170 Cb 0.12 -0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.17 3fa3 h TYR 170 CO 0.00 0.20 -0.21 0.93 -1.64 0.00 0.00 178.16 177.44 3fa3 h GLU 171 N 0.35 -0.07 -0.16 1.82 4.39 -1.97 -1.29 114.58 117.65 3fa3 h GLU 171 Ca 0.10 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 3fa3 h GLU 171 Cb -0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3fa3 h GLU 171 CO -0.03 -0.05 -0.32 1.49 -1.16 0.00 0.00 179.01 178.94 3fa3 h GLU 172 N -0.07 0.32 -0.21 2.33 4.57 -1.70 -2.40 114.58 117.42 3fa3 h GLU 172 Ca 0.26 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3fa3 h GLU 172 Cb 0.48 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3fa3 h GLU 172 CO -0.61 0.61 -0.25 0.77 -1.18 0.00 0.00 179.01 178.34 3fa3 h SER 173 N 0.28 0.58 -0.44 1.04 0.02 -1.20 -0.79 113.55 113.04 3fa3 h SER 173 Ca 0.04 -0.50 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3fa3 h SER 173 Cb 0.70 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 3fa3 h SER 173 CO 0.05 0.96 0.19 0.58 -1.14 0.00 0.00 176.83 177.48 3fa3 h VAL 174 N 0.21 0.91 -0.48 2.27 2.07 -1.41 -0.83 116.25 118.99 3fa3 h VAL 174 Ca 0.03 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3fa3 h VAL 174 Cb 0.82 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3fa3 h VAL 174 CO 0.06 0.07 0.08 0.00 0.02 0.00 0.00 177.57 177.80 3fa3 h ALA 175 N 1.26 0.53 -0.87 1.67 0.00 -1.29 -0.28 119.26 120.28 3fa3 h ALA 175 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3fa3 h ALA 175 Cb 0.15 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3fa3 h ALA 175 CO -0.17 -0.32 0.56 0.00 0.00 0.00 0.00 179.25 179.32 3fa3 h ARG 176 N 0.22 1.16 -0.47 0.00 3.08 -0.75 -0.46 114.38 117.16 3fa3 h ARG 176 Ca 0.24 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 3fa3 h ARG 176 Cb 0.33 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3fa3 h ARG 176 CO -0.33 0.78 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.10 3fa3 h LEU 177 N 1.19 0.97 -0.43 3.04 3.38 -0.82 0.22 115.31 122.87 3fa3 h LEU 177 Ca 0.32 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3fa3 h LEU 177 Cb -0.11 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.28 3fa3 h LEU 177 CO -0.07 1.14 -0.21 0.03 0.09 0.00 0.00 178.44 179.42 3fa3 h ARG 178 N 0.80 -0.13 -0.35 1.13 3.08 -0.84 0.24 114.38 118.31 3fa3 h ARG 178 Ca 0.11 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3fa3 h ARG 178 Cb 0.75 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3fa3 h ARG 178 CO 0.06 -0.08 -0.00 0.00 -1.07 0.00 0.00 179.97 178.87 3fa3 h ALA 179 N 1.14 0.47 -0.21 0.04 0.00 -0.68 -0.50 119.26 119.52 3fa3 h ALA 179 Ca 0.20 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fa3 h ALA 179 Cb 0.45 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3fa3 h ALA 179 CO -0.51 0.23 -0.39 0.00 0.00 0.00 0.00 179.25 178.59 3fa3 h ALA 180 N 0.86 -0.47 -0.61 0.00 0.00 -0.40 -1.71 119.26 116.93 3fa3 h ALA 180 Ca 0.10 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 180 Cb 0.46 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 3fa3 h ALA 180 CO 0.02 -0.86 0.00 -0.09 0.00 0.00 0.00 179.25 178.32 3fa3 h ARG 181 N -0.42 0.12 -0.49 0.00 2.43 0.31 -2.06 114.38 114.28 3fa3 h ARG 181 Ca 0.10 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3fa3 h ARG 181 Cb 0.59 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 3fa3 h ARG 181 CO -0.44 0.08 0.19 -0.44 -1.51 0.00 0.00 179.97 177.85 3fa3 h ASP 182 N 0.12 0.21 0.00 -3.80 5.19 -0.66 -0.53 116.42 116.95 3fa3 h ASP 182 Ca 0.32 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3fa3 h ASP 182 Cb 0.51 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3fa3 h ASP 182 CO -0.52 0.15 0.00 0.00 -3.12 0.00 0.00 179.24 175.76 3fa3 n ALA 183 N -2.39 1.95 0.00 3.45 0.00 -0.69 -4.87 120.51 117.96 3fa3 n ALA 183 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fa3 n ALA 183 Cb 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3fa3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 184 N -0.21 1.42 3.74 0.00 0.00 -0.21 -4.39 105.19 105.54 3fa3 n GLY 184 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.08 2.40 -0.06 4.61 0.00 -1.05 -4.95 121.76 120.64 3fa3 s ALA 185 Ca 0.00 1.14 0.13 0.00 0.00 0.00 0.00 51.96 53.23 3fa3 s ALA 185 Cb 0.00 -3.52 -0.23 0.00 0.00 0.00 0.00 23.12 19.37 3fa3 s ALA 185 CO 0.00 -1.50 0.60 -0.25 0.00 0.00 0.00 175.76 174.61 3fa3 n ASP 186 N -1.88 0.79 -3.96 0.00 8.00 0.23 -4.68 116.55 115.05 3fa3 n ASP 186 Ca 0.15 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.91 3fa3 n ASP 186 Cb 0.49 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.50 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 -2.59 0.18 0.01 2.53 1.01 -1.11 -4.42 120.40 116.03 3fa3 s VAL 187 Ca -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3fa3 s VAL 187 Cb 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3fa3 s VAL 187 CO 0.83 -0.26 0.06 -0.83 0.00 0.00 0.00 175.10 174.90 3fa3 s GLY 188 N -0.88 1.98 -0.37 4.51 0.00 -0.53 -1.38 107.32 110.65 3fa3 s GLY 188 Ca -0.08 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3fa3 s GLY 188 CO -0.00 -0.82 0.35 -0.12 0.00 0.00 0.00 173.10 172.50 3fa3 s PHE 189 N -1.20 -0.11 -0.47 1.90 5.99 -0.10 -0.90 117.98 123.09 3fa3 s PHE 189 Ca 0.23 -0.98 -0.26 0.00 0.00 0.00 0.00 56.93 55.92 3fa3 s PHE 189 Cb -0.12 -0.50 0.03 0.00 0.00 0.00 0.00 43.02 42.43 3fa3 s PHE 189 CO 0.14 -0.94 0.96 -1.17 -0.00 0.00 0.00 175.22 174.21 3fa3 s LEU 190 N 1.35 3.95 0.38 6.12 0.20 -1.26 0.49 118.68 129.92 3fa3 s LEU 190 Ca 0.17 0.16 -0.24 0.00 0.69 0.00 0.00 54.13 54.91 3fa3 s LEU 190 Cb -0.17 -3.24 -0.10 0.00 -0.43 0.00 0.00 46.19 42.25 3fa3 s LEU 190 CO -0.02 -1.09 0.97 -0.70 -0.29 0.00 0.00 176.35 175.22 3fa3 s GLU 191 N 3.87 4.34 -0.52 1.98 2.56 -0.78 -4.11 118.70 126.05 3fa3 s GLU 191 Ca 0.39 1.29 -0.03 0.00 0.00 0.00 0.00 54.97 56.62 3fa3 s GLU 191 Cb -0.10 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.54 3fa3 s GLU 191 CO 0.27 0.06 0.45 0.41 -0.56 0.00 0.00 175.26 175.88 3fa3 n GLY 192 N 0.06 0.31 3.76 -1.50 0.00 -1.26 -4.78 105.19 101.78 3fa3 n GLY 192 Ca 0.05 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3fa3 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 193 N -3.18 1.38 0.09 -0.61 5.41 -1.26 -4.74 119.36 116.46 3fa3 n ILE 193 Ca -0.02 -0.35 0.10 0.00 1.00 0.00 0.00 62.75 63.48 3fa3 n ILE 193 Cb 0.53 -1.97 -0.15 0.00 -0.71 0.00 0.00 39.64 37.34 3fa3 n ILE 193 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3fa3 n THR 194 N 1.52 0.00 -3.50 1.39 5.66 -1.26 -3.19 114.28 114.89 3fa3 n THR 194 Ca 0.06 -0.41 -0.17 0.00 -3.05 0.00 0.00 64.05 60.48 3fa3 n THR 194 Cb 0.38 0.15 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 3fa3 n THR 194 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3fa3 s SER 195 N -4.11 -0.64 0.47 1.09 1.04 -1.26 -4.65 113.70 105.64 3fa3 s SER 195 Ca -0.06 0.58 0.13 0.00 0.48 0.00 0.00 55.95 57.08 3fa3 s SER 195 Cb 0.13 0.55 1.08 0.00 0.10 0.00 0.00 66.02 67.88 3fa3 s SER 195 CO 0.82 -0.67 2.09 0.03 0.98 0.00 0.00 173.24 176.48 3fa3 h ARG 196 N 2.80 0.19 0.09 4.02 3.08 -1.95 -0.68 114.38 121.93 3fa3 h ARG 196 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3fa3 h ARG 196 Cb 1.17 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3fa3 h ARG 196 CO 0.39 0.16 -0.09 0.93 -1.07 0.00 0.00 179.97 180.28 3fa3 h GLU 197 N 0.19 -0.19 -0.46 0.04 3.07 -1.99 -2.25 114.58 112.98 3fa3 h GLU 197 Ca 0.05 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3fa3 h GLU 197 Cb 0.04 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3fa3 h GLU 197 CO -0.01 -0.13 0.10 1.98 -1.40 0.00 0.00 179.01 179.56 3fa3 h MET 198 N -0.20 0.69 -0.73 2.33 4.05 -1.89 0.41 114.93 119.59 3fa3 h MET 198 Ca 0.01 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 3fa3 h MET 198 Cb 0.19 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3fa3 h MET 198 CO -0.03 0.64 0.25 0.00 0.23 0.00 0.00 176.91 178.00 3fa3 h ALA 199 N 1.44 0.95 -0.10 0.39 0.00 -0.90 -0.53 119.26 120.50 3fa3 h ALA 199 Ca 0.15 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3fa3 h ALA 199 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3fa3 h ALA 199 CO -0.00 0.62 -0.52 0.00 0.00 0.00 0.00 179.25 179.35 3fa3 h ARG 200 N 1.07 0.28 0.00 0.00 3.08 -0.94 -2.98 114.38 114.88 3fa3 h ARG 200 Ca 0.24 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3fa3 h ARG 200 Cb 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3fa3 h ARG 200 CO -0.01 0.73 -0.41 0.37 -1.07 0.00 0.00 179.97 179.59 3fa3 h GLN 201 N 0.22 0.00 0.06 0.04 5.75 -0.42 -1.63 115.11 119.13 3fa3 h GLN 201 Ca 0.01 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.25 3fa3 h GLN 201 Cb 0.99 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3fa3 h GLN 201 CO 0.08 0.00 -1.26 0.28 -2.65 0.00 0.00 178.83 175.28 3fa3 h VAL 202 N 0.00 1.44 -0.82 2.39 2.07 -1.15 -2.89 116.25 117.29 3fa3 h VAL 202 Ca -0.00 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.37 3fa3 h VAL 202 Cb 1.00 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 3fa3 h VAL 202 CO 0.00 0.87 0.34 0.40 0.02 0.00 0.00 177.57 179.20 3fa3 h ILE 203 N 0.04 1.26 -0.05 4.57 2.04 -1.29 -0.25 117.51 123.83 3fa3 h ILE 203 Ca -0.13 -0.80 -0.20 0.00 1.00 0.00 0.00 64.86 64.73 3fa3 h ILE 203 Cb 1.91 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3fa3 h ILE 203 CO 0.15 0.33 -0.80 -0.61 0.00 0.00 0.00 178.15 177.22 3fa3 h GLN 204 N 1.18 0.40 0.00 2.37 4.15 -1.42 -1.77 115.11 120.01 3fa3 h GLN 204 Ca 0.27 -0.36 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 3fa3 h GLN 204 Cb 0.19 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3fa3 h GLN 204 CO -0.03 1.01 -0.27 -0.44 -1.93 0.00 0.00 178.83 177.17 3fa3 h ASP 205 N 0.25 0.00 -0.08 -0.69 3.32 -1.23 -2.83 116.42 115.17 3fa3 h ASP 205 Ca -0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3fa3 h ASP 205 Cb 1.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 3fa3 h ASP 205 CO 0.14 0.27 -0.25 0.18 -1.72 0.00 0.00 179.24 177.86 3fa3 n LEU 206 N -3.78 2.96 -4.48 1.55 7.99 -0.14 -5.06 117.00 116.05 3fa3 n LEU 206 Ca -0.01 -3.60 -0.52 0.00 -0.01 0.00 0.00 56.01 51.87 3fa3 n LEU 206 Cb 0.37 -0.52 -0.05 0.00 -0.11 0.00 0.00 43.42 43.11 3fa3 n LEU 206 CO 0.35 1.14 0.38 0.00 -1.51 0.00 0.00 177.39 177.75 3fa3 n ALA 207 N -1.16 -2.55 -0.02 -1.18 0.00 -0.68 -0.52 120.51 114.40 3fa3 n ALA 207 Ca 0.21 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.15 3fa3 n ALA 207 Cb 0.76 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3fa3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 208 N 1.81 2.65 3.64 0.00 0.00 -1.26 -5.01 105.19 107.01 3fa3 n GLY 208 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3fa3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa3 s TRP 209 N -2.92 3.30 0.49 1.61 -0.00 0.33 -5.06 118.94 116.69 3fa3 s TRP 209 Ca 0.00 0.29 -0.23 0.00 -0.00 0.00 0.00 56.10 56.16 3fa3 s TRP 209 Cb 0.00 -2.37 -0.07 0.00 -0.00 0.00 0.00 33.47 31.03 3fa3 s TRP 209 CO 0.00 -0.03 1.26 -2.30 -0.00 0.00 0.00 176.95 175.88 3fa3 n PRO 210 N 4.59 1.70 -4.34 5.86 -0.02 -1.26 -4.82 135.00 136.70 3fa3 n PRO 210 Ca -0.13 0.62 -0.18 0.00 -2.02 0.00 0.00 63.50 61.79 3fa3 n PRO 210 Cb 0.52 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 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 -2.36 2.30 -0.07 2.45 1.43 -1.26 -1.45 118.68 119.72 3fa3 s LEU 211 Ca 0.67 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3fa3 s LEU 211 Cb -0.46 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3fa3 s LEU 211 CO 0.53 -0.44 -0.09 -0.22 0.23 0.00 0.00 176.35 176.36 3fa3 s LEU 212 N -3.32 1.46 -0.00 1.79 0.20 -0.08 -1.99 118.68 116.73 3fa3 s LEU 212 Ca 0.27 -0.24 -0.10 0.00 0.69 0.00 0.00 54.13 54.75 3fa3 s LEU 212 Cb 0.05 -0.70 -0.05 0.00 -0.43 0.00 0.00 46.19 45.05 3fa3 s LEU 212 CO 0.08 -0.02 0.31 -0.22 -0.29 0.00 0.00 176.35 176.22 3fa3 s LEU 213 N 0.92 4.40 -0.44 -0.68 2.96 -0.06 -4.36 118.68 121.43 3fa3 s LEU 213 Ca -0.10 0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 54.45 3fa3 s LEU 213 Cb -0.15 -2.59 0.11 0.00 0.50 0.00 0.00 46.19 44.06 3fa3 s LEU 213 CO 0.01 0.29 0.28 0.21 -1.32 0.00 0.00 176.35 175.81 3fa3 s ASN 214 N -1.39 5.53 -1.25 3.68 2.47 -1.26 -2.34 114.94 120.38 3fa3 s ASN 214 Ca 0.25 -1.87 -0.11 0.00 0.42 0.00 0.00 52.86 51.54 3fa3 s ASN 214 Cb -0.14 -1.94 0.17 0.00 -1.45 0.00 0.00 41.25 37.89 3fa3 s ASN 214 CO 0.13 -0.61 1.69 0.80 -3.72 0.00 0.00 177.10 175.39 3fa3 n MET 215 N 4.80 3.52 -3.03 0.43 0.00 0.22 -4.85 117.12 118.20 3fa3 n MET 215 Ca -0.07 -3.66 -0.40 0.00 -0.00 0.00 0.00 57.70 53.57 3fa3 n MET 215 Cb 0.41 -2.98 -0.05 0.00 0.00 0.00 0.00 33.22 30.61 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 0.90 4.99 0.38 1.12 1.01 -1.26 -4.49 120.40 123.06 3fa3 s VAL 216 Ca 0.41 1.39 -0.13 0.00 0.00 0.00 0.00 61.98 63.66 3fa3 s VAL 216 Cb 0.04 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3fa3 s VAL 216 CO 0.00 0.14 0.77 -1.61 0.00 0.00 0.00 175.10 174.40 3fa3 s GLU 217 N 1.59 3.87 -1.43 2.72 2.02 -1.26 -4.14 118.70 122.06 3fa3 s GLU 217 Ca 0.34 0.58 -0.00 0.00 0.02 0.00 0.00 54.97 55.90 3fa3 s GLU 217 Cb -0.17 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3fa3 s GLU 217 CO 0.13 0.02 0.04 0.72 0.02 0.00 0.00 175.26 176.19 3fa3 n HIS 218 N -0.98 -1.26 0.00 1.61 8.25 -1.26 -4.91 115.22 116.67 3fa3 n HIS 218 Ca 0.03 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3fa3 n HIS 218 Cb 0.54 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 28.23 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 -0.95 1.42 0.01 -1.41 0.00 -1.26 -5.01 105.19 97.99 3fa3 n GLY 219 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 220 N -3.00 3.79 -2.87 4.61 0.00 -1.26 -4.93 120.51 116.85 3fa3 n ALA 220 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 3fa3 n ALA 220 Cb 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 3fa3 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa3 s THR 221 N -3.21 3.15 0.46 0.00 2.01 -1.19 -4.20 115.64 112.65 3fa3 s THR 221 Ca 0.02 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 3fa3 s THR 221 Cb 0.15 -2.30 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 3fa3 s THR 221 CO 0.86 0.55 0.93 -2.16 -0.69 0.00 0.00 174.62 174.11 3fa3 s PRO 222 N -0.03 4.06 -0.29 4.92 0.05 -1.26 -4.59 135.00 137.85 3fa3 s PRO 222 Ca -0.03 0.96 -0.32 0.00 0.05 0.00 0.00 61.00 61.67 3fa3 s PRO 222 Cb -0.14 -2.20 -0.08 0.00 0.05 0.00 0.00 34.50 32.13 3fa3 s PRO 222 CO 0.04 -0.12 2.21 0.43 0.05 0.00 0.00 177.00 179.61 3fa3 n SER 223 N -1.07 2.63 -4.06 6.66 7.64 -1.26 -4.97 113.62 119.19 3fa3 n SER 223 Ca 0.06 0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.92 3fa3 n SER 223 Cb 0.54 -1.40 -0.16 0.00 -1.01 0.00 0.00 64.21 62.18 3fa3 n SER 223 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fa3 s ILE 224 N 7.87 1.95 0.58 0.44 1.09 -1.26 -5.12 121.20 126.74 3fa3 s ILE 224 Ca 1.06 -1.15 -0.17 0.00 -1.10 0.00 0.00 60.65 59.29 3fa3 s ILE 224 Cb -0.61 -1.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 3fa3 s ILE 224 CO 0.42 0.26 1.07 -0.94 -0.10 0.00 0.00 174.94 175.65 3fa3 s SER 225 N 1.28 5.79 0.40 3.58 1.04 -1.26 -4.83 113.70 119.70 3fa3 s SER 225 Ca -0.01 1.88 0.20 0.00 0.48 0.00 0.00 55.95 58.51 3fa3 s SER 225 Cb -0.16 -2.54 1.17 0.00 0.10 0.00 0.00 66.02 64.58 3fa3 s SER 225 CO -0.09 -1.16 1.73 0.00 0.98 0.00 0.00 173.24 174.70 3fa3 h ALA 226 N 0.63 2.31 -0.04 5.32 0.00 -1.99 -0.35 119.26 125.13 3fa3 h ALA 226 Ca -0.47 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3fa3 h ALA 226 Cb 1.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fa3 h ALA 226 CO 0.57 -0.78 -0.18 0.00 0.00 0.00 0.00 179.25 178.87 3fa3 h ALA 227 N 1.64 0.08 -0.95 0.00 0.00 -1.99 -2.16 119.26 115.87 3fa3 h ALA 227 Ca 0.65 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3fa3 h ALA 227 Cb 1.74 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3fa3 h ALA 227 CO -0.35 0.03 0.62 1.49 0.00 0.00 0.00 179.25 181.04 3fa3 h GLU 228 N -0.37 1.17 -0.57 0.00 4.81 -1.48 -1.63 114.58 116.51 3fa3 h GLU 228 Ca -0.01 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3fa3 h GLU 228 Cb 0.83 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3fa3 h GLU 228 CO 0.04 0.78 0.14 0.00 -0.73 0.00 0.00 179.01 179.23 3fa3 h ALA 229 N 1.44 0.76 0.10 2.92 0.00 -1.25 0.44 119.26 123.67 3fa3 h ALA 229 Ca 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fa3 h ALA 229 Cb -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3fa3 h ALA 229 CO -0.11 0.46 -0.07 -0.22 0.00 0.00 0.00 179.25 179.31 3fa3 h LYS 230 N 0.82 -0.18 0.00 0.00 3.64 -0.66 -2.00 116.57 118.19 3fa3 h LYS 230 Ca 0.18 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3fa3 h LYS 230 Cb 0.35 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3fa3 h LYS 230 CO 0.00 -0.12 -0.11 1.49 -2.27 0.00 0.00 179.45 178.44 3fa3 h GLU 231 N -0.18 0.00 0.00 1.90 4.22 -1.16 0.65 114.58 120.01 3fa3 h GLU 231 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 3fa3 h GLU 231 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fa3 h GLU 231 CO -0.00 0.11 -0.12 0.52 -2.18 0.00 0.00 179.01 177.34 3fa3 h MET 232 N 0.00 0.00 0.00 1.92 2.86 -0.72 -3.48 114.93 115.51 3fa3 h MET 232 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fa3 h MET 232 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3fa3 h MET 232 CO 0.01 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.51 3fa3 n GLY 233 N 0.28 2.18 3.54 8.32 0.00 0.22 -4.95 105.19 114.78 3fa3 n GLY 233 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3fa3 n GLY 233 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa3 n PHE 234 N -0.13 -0.07 0.22 1.61 3.01 -0.90 -4.78 117.46 116.42 3fa3 n PHE 234 Ca 0.00 0.38 0.04 0.00 1.01 0.00 0.00 57.45 58.88 3fa3 n PHE 234 Cb 0.00 -2.00 -0.06 0.00 -0.01 0.00 0.00 39.48 37.41 3fa3 n PHE 234 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3fa3 n ARG 235 N -1.22 2.48 -3.70 -1.08 5.12 -0.84 -4.41 116.66 113.02 3fa3 n ARG 235 Ca 0.12 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.88 3fa3 n ARG 235 Cb 0.49 -1.03 -0.12 0.00 -1.16 0.00 0.00 32.46 30.64 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 -2.15 -0.19 -0.07 0.55 1.01 -1.07 0.33 121.20 119.61 3fa3 s ILE 236 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.84 3fa3 s ILE 236 Cb 0.06 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 3fa3 s ILE 236 CO 0.35 0.07 -0.08 -0.51 0.00 0.00 0.00 174.94 174.77 3fa3 s ILE 237 N 1.71 3.59 0.12 2.92 2.07 -0.11 -0.88 121.20 130.63 3fa3 s ILE 237 Ca -0.06 -0.52 0.08 0.00 -1.41 0.00 0.00 60.65 58.74 3fa3 s ILE 237 Cb -0.11 -2.46 -0.04 0.00 0.13 0.00 0.00 42.46 39.99 3fa3 s ILE 237 CO -0.10 0.60 -0.19 0.27 -1.91 0.00 0.00 174.94 173.61 3fa3 s ILE 238 N -0.78 1.65 -0.56 2.00 -4.36 -0.99 -2.14 121.20 116.02 3fa3 s ILE 238 Ca 0.12 -1.66 0.06 0.00 -0.26 0.00 0.00 60.65 58.92 3fa3 s ILE 238 Cb -0.11 -1.60 0.24 0.00 1.25 0.00 0.00 42.46 42.24 3fa3 s ILE 238 CO 0.01 -0.20 0.65 0.49 0.24 0.00 0.00 174.94 176.13 3fa3 n PHE 239 N 0.79 2.26 -0.49 1.37 3.01 -1.12 -0.61 117.46 122.68 3fa3 n PHE 239 Ca -0.17 -3.96 0.41 0.00 1.01 0.00 0.00 57.45 54.74 3fa3 n PHE 239 Cb 0.55 -0.47 0.74 0.00 -0.01 0.00 0.00 39.48 40.29 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 4.26 0.04 -0.30 -1.08 0.11 -1.89 0.21 132.00 133.36 3fa3 h PRO 240 Ca 0.16 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 3fa3 h PRO 240 Cb 0.74 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.76 3fa3 h PRO 240 CO 0.70 0.03 -0.11 1.19 -0.21 0.00 0.00 178.00 179.59 3fa3 n PHE 241 N -4.22 0.93 0.17 0.65 3.72 -1.26 -4.46 117.46 113.00 3fa3 n PHE 241 Ca 0.35 -1.51 0.03 0.00 -0.05 0.00 0.00 57.45 56.26 3fa3 n PHE 241 Cb 1.54 -0.44 0.38 0.00 -0.94 0.00 0.00 39.48 40.02 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 1.04 1.44 0.00 4.37 0.00 -0.79 -2.32 119.26 123.01 3fa3 h ALA 242 Ca 0.17 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 3fa3 h ALA 242 Cb 1.56 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3fa3 h ALA 242 CO 0.33 0.41 -1.78 0.00 0.00 0.00 0.00 179.25 178.20 3fa3 n ALA 243 N -2.48 1.70 0.21 0.00 0.00 -1.09 -4.53 120.51 114.32 3fa3 n ALA 243 Ca -0.02 -0.60 0.06 0.00 0.00 0.00 0.00 53.44 52.88 3fa3 n ALA 243 Cb 0.35 0.17 0.54 0.00 0.00 0.00 0.00 19.45 20.51 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 0.00 0.07 0.49 0.00 6.46 -1.75 -1.02 115.31 119.56 3fa3 h LEU 244 Ca -0.31 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 3fa3 h LEU 244 Cb 1.49 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 3fa3 h LEU 244 CO -0.04 0.14 -0.23 1.23 -0.62 0.00 0.00 178.44 178.91 3fa3 h GLY 245 N 0.33 -0.68 1.01 3.75 0.00 -1.67 -2.18 103.07 103.63 3fa3 h GLY 245 Ca 0.02 0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.70 3fa3 h GLY 245 CO 0.01 -0.25 0.42 -2.55 0.00 0.00 0.00 176.54 174.17 3fa3 h PRO 246 N -0.81 0.43 -0.38 4.80 0.11 -1.77 -1.72 132.00 132.66 3fa3 h PRO 246 Ca -0.07 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 3fa3 h PRO 246 Cb 0.50 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3fa3 h PRO 246 CO 0.11 0.28 -0.21 0.00 -0.21 0.00 0.00 178.00 177.97 3fa3 h ALA 247 N 1.69 0.92 -0.11 -0.75 0.00 -1.15 -2.07 119.26 117.79 3fa3 h ALA 247 Ca 0.29 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 247 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fa3 h ALA 247 CO -0.08 0.62 -0.19 0.28 0.00 0.00 0.00 179.25 179.88 3fa3 h VAL 248 N 0.65 1.38 0.19 0.00 2.07 -0.65 -1.37 116.25 118.53 3fa3 h VAL 248 Ca 0.09 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.17 3fa3 h VAL 248 Cb 0.70 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3fa3 h VAL 248 CO 0.05 0.42 -0.25 0.00 0.02 0.00 0.00 177.57 177.81 3fa3 h ALA 249 N 0.53 -0.48 -0.25 1.67 0.00 -1.54 -1.05 119.26 118.14 3fa3 h ALA 249 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 249 Cb 0.77 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3fa3 h ALA 249 CO 0.04 -0.81 0.13 0.00 0.00 0.00 0.00 179.25 178.61 3fa3 h ALA 250 N 0.19 0.31 -0.37 0.00 0.00 -1.41 -1.91 119.26 116.07 3fa3 h ALA 250 Ca 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 250 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3fa3 h ALA 250 CO -0.10 -0.27 0.01 0.52 0.00 0.00 0.00 179.25 179.41 3fa3 h MET 251 N 0.27 0.58 -0.09 0.00 2.86 -1.14 0.53 114.93 117.95 3fa3 h MET 251 Ca 0.10 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3fa3 h MET 251 Cb 0.03 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3fa3 h MET 251 CO -0.07 0.60 0.04 -0.09 1.06 0.00 0.00 176.91 178.45 3fa3 h ARG 252 N 0.55 0.13 -0.53 1.72 2.43 -0.93 0.21 114.38 117.96 3fa3 h ARG 252 Ca 0.12 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3fa3 h ARG 252 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3fa3 h ARG 252 CO 0.01 0.21 -0.06 1.49 -1.51 0.00 0.00 179.97 180.12 3fa3 h GLU 253 N 0.01 0.95 -0.03 0.20 4.57 -0.96 -1.85 114.58 117.48 3fa3 h GLU 253 Ca 0.03 -0.31 -0.17 0.00 -1.18 0.00 0.00 59.36 57.72 3fa3 h GLU 253 Cb 0.13 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3fa3 h GLU 253 CO -0.00 0.97 -0.75 0.00 -1.18 0.00 0.00 179.01 178.05 3fa3 h ALA 254 N 1.06 0.66 -0.12 2.92 0.00 -0.51 -1.02 119.26 122.25 3fa3 h ALA 254 Ca 0.15 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3fa3 h ALA 254 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fa3 h ALA 254 CO 0.04 0.82 -0.45 0.52 0.00 0.00 0.00 179.25 180.18 3fa3 h MET 255 N 0.15 0.30 -0.04 0.00 2.86 -0.48 -1.53 114.93 116.19 3fa3 h MET 255 Ca -0.03 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.32 3fa3 h MET 255 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3fa3 h MET 255 CO 0.12 0.69 -0.59 0.93 1.06 0.00 0.00 176.91 179.12 3fa3 h GLU 256 N 0.24 0.13 -0.10 1.72 5.08 -0.94 -1.82 114.58 118.88 3fa3 h GLU 256 Ca 0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3fa3 h GLU 256 Cb 0.89 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3fa3 h GLU 256 CO 0.07 0.68 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.53 3fa3 h LYS 257 N 0.10 0.19 -0.89 2.33 3.64 -1.06 -2.15 116.57 118.73 3fa3 h LYS 257 Ca -0.01 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3fa3 h LYS 257 Cb 1.07 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 3fa3 h LYS 257 CO 0.09 0.48 0.55 1.25 -2.27 0.00 0.00 179.45 179.54 3fa3 h LEU 258 N -0.11 1.06 0.52 5.20 5.85 -1.24 0.13 115.31 126.73 3fa3 h LEU 258 Ca 0.03 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3fa3 h LEU 258 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3fa3 h LEU 258 CO 0.01 0.81 -0.39 0.50 -0.34 0.00 0.00 178.44 179.03 3fa3 h LYS 259 N 1.23 -0.86 -0.49 1.25 1.63 -1.16 0.41 116.57 118.58 3fa3 h LYS 259 Ca 0.32 0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 60.06 3fa3 h LYS 259 Cb -0.07 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3fa3 h LYS 259 CO -0.06 -0.57 -0.17 0.00 -3.45 0.00 0.00 179.45 175.20 3fa3 h ARG 260 N -0.89 0.96 0.00 1.90 3.08 -1.27 -3.38 114.38 114.78 3fa3 h ARG 260 Ca -0.06 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3fa3 h ARG 260 Cb 0.75 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3fa3 h ARG 260 CO 0.02 1.04 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.45 3fa3 h ASP 261 N 0.84 0.00 0.00 7.04 5.19 -0.58 -3.49 116.42 125.42 3fa3 h ASP 261 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3fa3 h ASP 261 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 3fa3 h ASP 261 CO 0.06 0.39 0.00 0.61 -3.12 0.00 0.00 179.24 177.18 3fa3 n GLY 262 N 1.80 1.00 3.60 2.75 0.00 0.12 -5.05 105.19 109.42 3fa3 n GLY 262 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 0.00 0.33 -0.61 1.10 -1.26 -5.06 121.20 113.70 3fa3 s ILE 263 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 3fa3 s ILE 263 Cb 0.00 -1.00 0.26 0.00 0.15 0.00 0.00 42.46 41.87 3fa3 s ILE 263 CO 0.00 0.00 2.00 -0.65 -2.11 0.00 0.00 174.94 174.18 3fa3 h PRO 264 N 4.32 0.91 -6.66 3.50 0.11 -1.93 -3.40 132.00 128.86 3fa3 h PRO 264 Ca -0.28 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.24 3fa3 h PRO 264 Cb 1.16 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 3fa3 h PRO 264 CO 0.15 0.61 -0.95 0.41 -0.21 0.00 0.00 178.00 178.00 3fa3 n GLY 265 N -1.42 -0.56 3.77 -0.55 0.00 -1.26 -4.81 105.19 100.36 3fa3 n GLY 265 Ca 0.07 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -7.06 3.21 0.36 0.99 1.43 -1.26 -4.97 118.68 111.37 3fa3 s LEU 266 Ca 0.25 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 55.00 3fa3 s LEU 266 Cb -0.12 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.46 3fa3 s LEU 266 CO 0.93 -1.86 1.36 -0.62 0.23 0.00 0.00 176.35 176.39 3fa3 s ASP 267 N -2.96 6.56 0.42 2.29 3.68 -1.26 -4.85 116.67 120.55 3fa3 s ASP 267 Ca 0.64 2.79 0.25 0.00 2.13 0.00 0.00 52.55 58.37 3fa3 s ASP 267 Cb -0.19 -2.65 1.29 0.00 -1.45 0.00 0.00 42.92 39.91 3fa3 s ASP 267 CO 0.49 -0.69 1.70 0.11 0.13 0.00 0.00 175.17 176.90 3fa3 h LYS 268 N 3.14 0.21 -0.88 4.34 1.79 -2.05 0.90 116.57 124.02 3fa3 h LYS 268 Ca -0.50 -0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.15 3fa3 h LYS 268 Cb 1.23 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.77 3fa3 h LYS 268 CO 0.64 0.14 0.58 1.49 -1.08 0.00 0.00 179.45 181.22 3fa3 h GLU 269 N 0.22 0.42 -3.16 3.15 4.81 -2.04 -3.37 114.58 114.62 3fa3 h GLU 269 Ca 0.71 -0.03 -0.75 0.00 -0.13 0.00 0.00 59.36 59.17 3fa3 h GLU 269 Cb 2.09 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 31.24 3fa3 h GLU 269 CO -0.35 0.28 2.28 -1.33 -0.73 0.00 0.00 179.01 179.17 3fa3 n MET 270 N -4.51 3.97 -1.74 1.92 2.81 0.31 -4.81 117.12 115.08 3fa3 n MET 270 Ca 0.18 -3.42 -0.31 0.00 -1.81 0.00 0.00 57.70 52.34 3fa3 n MET 270 Cb 0.65 -2.82 0.03 0.00 -0.71 0.00 0.00 33.22 30.38 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa3 s THR 271 N -0.05 4.23 0.23 2.03 -4.23 -1.26 -4.83 115.64 111.76 3fa3 s THR 271 Ca 0.46 0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 61.63 3fa3 s THR 271 Cb 0.13 -3.60 0.18 0.00 1.34 0.00 0.00 72.50 70.55 3fa3 s THR 271 CO -0.04 -0.95 1.79 -0.65 -0.54 0.00 0.00 174.62 174.23 3fa3 h PRO 272 N -0.55 0.63 -0.05 3.99 0.11 -1.98 0.46 132.00 134.61 3fa3 h PRO 272 Ca -0.44 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3fa3 h PRO 272 Cb 1.21 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3fa3 h PRO 272 CO 0.60 0.42 -0.17 1.96 -0.21 0.00 0.00 178.00 180.60 3fa3 h GLN 273 N 0.65 -0.24 -0.35 1.05 7.50 -1.94 0.56 115.11 122.34 3fa3 h GLN 273 Ca 0.36 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.58 3fa3 h GLN 273 Cb 0.36 0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.90 3fa3 h GLN 273 CO -0.26 -0.16 0.06 1.98 -1.50 0.00 0.00 178.83 178.95 3fa3 h MET 274 N -0.25 0.17 -0.02 1.46 4.05 -1.65 0.83 114.93 119.52 3fa3 h MET 274 Ca 0.07 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3fa3 h MET 274 Cb 0.34 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 3fa3 h MET 274 CO -0.19 0.11 -0.13 -0.07 0.23 0.00 0.00 176.91 176.86 3fa3 h LEU 275 N 0.17 -0.38 -1.36 3.39 4.07 -0.49 -2.50 115.31 118.22 3fa3 h LEU 275 Ca 0.17 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.20 3fa3 h LEU 275 Cb 0.20 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 3fa3 h LEU 275 CO -0.23 -0.18 0.44 -0.26 -1.08 0.00 0.00 178.44 177.13 3fa3 h PHE 276 N -0.21 0.81 -0.64 1.13 0.05 0.16 -2.41 116.94 115.83 3fa3 h PHE 276 Ca 0.05 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.91 3fa3 h PHE 276 Cb 0.28 -0.27 -0.05 0.00 2.00 0.00 0.00 35.95 37.90 3fa3 h PHE 276 CO -0.19 0.49 0.36 -0.09 -0.18 0.00 0.00 178.31 178.70 3fa3 h ARG 277 N 0.86 0.66 -1.27 1.51 9.65 1.00 0.40 114.38 127.18 3fa3 h ARG 277 Ca 0.26 -0.04 0.37 0.00 -1.10 0.00 0.00 59.98 59.46 3fa3 h ARG 277 Cb -0.02 -0.15 -0.08 0.00 -1.39 0.00 0.00 29.97 28.33 3fa3 h ARG 277 CO -0.06 0.44 0.88 0.28 2.80 0.00 0.00 179.97 184.31 3fa3 h VAL 278 N 0.68 0.34 -0.97 0.20 2.07 -1.01 -2.45 116.25 115.12 3fa3 h VAL 278 Ca 0.28 -0.04 -0.49 0.00 0.82 0.00 0.00 66.70 67.27 3fa3 h VAL 278 Cb 0.13 0.22 -0.29 0.00 -1.52 0.00 0.00 31.29 29.83 3fa3 h VAL 278 CO -0.16 0.02 0.62 0.00 0.02 0.00 0.00 177.57 178.07 3fa3 n GLY 280 N -1.04 0.37 0.27 0.00 0.00 -0.92 -4.95 105.19 98.91 3fa3 n GLY 280 Ca 0.58 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -0.59 -0.79 0.99 5.85 -1.59 -1.25 115.31 117.93 3fa3 h LEU 281 Ca -0.01 0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 3fa3 h LEU 281 Cb 0.79 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3fa3 h LEU 281 CO 0.01 -0.22 -0.53 0.44 -0.34 0.00 0.00 178.44 177.80 3fa3 h ASP 282 N 0.02 0.23 -0.15 1.25 3.32 -1.89 0.06 116.42 119.27 3fa3 h ASP 282 Ca 0.36 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3fa3 h ASP 282 Cb 0.57 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3fa3 h ASP 282 CO -0.72 0.72 0.01 -0.08 -1.72 0.00 0.00 179.24 177.46 3fa3 h GLU 283 N 0.17 0.26 0.20 3.56 4.22 -1.80 -1.74 114.58 119.44 3fa3 h GLU 283 Ca 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.38 3fa3 h GLU 283 Cb 0.98 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3fa3 h GLU 283 CO 0.08 0.46 -0.23 0.77 -2.18 0.00 0.00 179.01 177.90 3fa3 h SER 284 N 0.02 -0.63 -0.90 1.04 0.02 -0.66 -0.88 113.55 111.55 3fa3 h SER 284 Ca 0.04 0.06 0.26 0.00 -0.84 0.00 0.00 61.79 61.32 3fa3 h SER 284 Cb 0.33 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 3fa3 h SER 284 CO 0.00 -0.33 0.65 0.24 -1.14 0.00 0.00 176.83 176.25 3fa3 h MET 285 N -0.48 0.04 0.19 3.45 2.86 -1.01 -2.08 114.93 117.89 3fa3 h MET 285 Ca 0.01 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 3fa3 h MET 285 Cb 0.46 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 32.15 3fa3 h MET 285 CO -0.08 0.02 -1.33 -0.22 1.06 0.00 0.00 176.91 176.37 3fa3 h LYS 286 N 0.04 0.57 -0.94 1.72 3.64 -0.36 -2.34 116.57 118.91 3fa3 h LYS 286 Ca 0.43 -0.87 0.19 0.00 -1.27 0.00 0.00 60.65 59.14 3fa3 h LYS 286 Cb 1.68 0.30 -0.11 0.00 -0.41 0.00 0.00 32.23 33.70 3fa3 h LYS 286 CO -0.02 1.40 0.52 0.28 -2.27 0.00 0.00 179.45 179.36 3fa3 h VAL 287 N 0.18 0.65 -0.07 2.00 2.07 -0.52 -1.12 116.25 119.43 3fa3 h VAL 287 Ca -0.22 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 3fa3 h VAL 287 Cb 2.02 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3fa3 h VAL 287 CO 0.25 0.12 -0.17 -0.78 0.02 0.00 0.00 177.57 177.01 3fa3 h ASP 288 N 0.63 0.27 0.01 0.57 1.82 -1.44 -2.78 116.42 115.51 3fa3 h ASP 288 Ca 0.55 -0.58 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 3fa3 h ASP 288 Cb 0.89 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 3fa3 h ASP 288 CO -0.42 0.80 -0.13 0.00 -1.61 0.00 0.00 179.24 177.89 3fa3 h ALA 289 N 0.48 1.49 0.00 -0.78 0.00 -1.25 0.16 119.26 119.36 3fa3 h ALA 289 Ca -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3fa3 h ALA 289 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3fa3 h ALA 289 CO 0.04 0.36 -0.66 1.96 0.00 0.00 0.00 179.25 180.94 3fa3 h GLN 290 N 0.24 0.00 -0.00 0.00 4.20 -1.20 -2.73 115.11 115.62 3fa3 h GLN 290 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fa3 h GLN 290 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3fa3 h GLN 290 CO 0.02 0.66 -0.06 0.00 -0.67 0.00 0.00 178.83 178.79 3fa3 n ALA 291 N -2.33 2.62 0.00 3.87 0.00 -1.05 -4.91 120.51 118.70 3fa3 n ALA 291 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3fa3 n ALA 291 Cb 0.72 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3fa3 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 292 N 1.30 1.08 3.71 0.00 0.00 -1.03 -5.10 105.19 105.14 3fa3 n GLY 292 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3fa3 n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fa3 s GLY 293 N -2.00 1.67 0.00 -0.02 0.00 0.04 -5.01 107.32 102.00 3fa3 s GLY 293 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3fa3 s GLY 293 CO 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 173.10 172.86 3fa3 n ALA 294 N -4.49 0.00 0.18 3.20 0.00 -1.26 -4.46 120.51 113.68 3fa3 n ALA 294 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.68 3fa3 n ALA 294 Cb 0.60 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.52 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 295 N 0.00 1.14 -0.03 0.00 0.00 -1.96 0.96 119.26 119.36 3fa3 h ALA 295 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 295 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fa3 h ALA 295 CO 0.00 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.30 3fa3 n PHE 296 N -2.18 0.04 -0.51 0.00 3.01 -1.26 -4.98 117.46 111.58 3fa3 n PHE 296 Ca -0.01 -0.21 -0.21 0.00 1.01 0.00 0.00 57.45 58.02 3fa3 n PHE 296 Cb 0.23 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.63 3fa3 n PHE 296 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3fa3 n ASP 297 N -0.05 0.24 0.00 4.37 4.64 0.33 -1.01 116.55 125.06 3fa3 n ASP 297 Ca 0.02 0.21 0.00 0.00 -1.38 0.00 0.00 54.79 53.64 3fa3 n ASP 297 Cb 0.15 -0.35 0.00 0.00 -1.04 0.00 0.00 41.12 39.88 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3fa3 n GLY 298 N 2.81 1.13 4.43 0.27 0.00 -1.26 -4.94 105.19 107.63 3fa3 n GLY 298 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -1.70 0.47 -0.02 0.00 -0.18 -4.85 105.19 98.92 3fa3 n GLY 299 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3fa3 n GLY 299 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa3 n VAL 300 N 0.00 0.00 -2.42 1.61 0.31 -1.26 -4.87 118.33 111.69 3fa3 n VAL 300 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3fa3 n VAL 300 Cb 0.00 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3fa3 n VAL 300 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3fa3 n ASP 301 N 0.00 0.65 0.00 4.52 8.00 -1.26 -5.00 116.55 123.46 3fa3 n ASP 301 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3fa3 n ASP 301 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3fa3 n ASP 301 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70