#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s VAL 4 N 0.00 0.35 0.22 3.17 0.11 -1.26 -5.17 120.40 117.83 3fa3 s VAL 4 Ca 0.00 -0.97 0.07 0.00 -2.93 0.00 0.00 61.98 58.16 3fa3 s VAL 4 Cb 0.00 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3fa3 s VAL 4 CO 0.00 -0.41 0.09 0.28 -3.33 0.00 0.00 175.10 171.73 3fa3 s THR 5 N -1.36 4.03 -0.98 5.04 -1.32 -1.26 -4.98 115.64 114.81 3fa3 s THR 5 Ca -0.12 -1.49 0.24 0.00 -1.21 0.00 0.00 61.69 59.11 3fa3 s THR 5 Cb -0.10 -3.12 0.20 0.00 -1.51 0.00 0.00 72.50 67.98 3fa3 s THR 5 CO -0.00 -0.26 1.78 0.00 -2.21 0.00 0.00 174.62 173.92 3fa3 n ALA 6 N -0.73 2.11 -0.20 11.08 0.00 -1.25 -2.08 120.51 129.43 3fa3 n ALA 6 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.29 3fa3 n ALA 6 Cb 0.57 -1.40 0.10 0.00 0.00 0.00 0.00 19.45 18.73 3fa3 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 7 N 2.81 0.61 -1.90 0.00 0.00 -1.78 0.57 119.26 119.57 3fa3 h ALA 7 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3fa3 h ALA 7 Cb 0.43 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3fa3 h ALA 7 CO 0.00 -0.39 0.00 2.41 0.00 0.00 0.00 179.25 181.27 3fa3 n THR 8 N -5.27 0.00 0.00 0.00 -1.04 -0.89 0.12 114.28 107.21 3fa3 n THR 8 Ca 0.09 1.18 0.00 0.00 -2.04 0.00 0.00 64.05 63.28 3fa3 n THR 8 Cb 0.35 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 3fa3 n THR 8 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3fa3 n SER 9 N -1.09 0.00 0.05 8.00 2.88 -1.22 0.15 113.62 122.39 3fa3 n SER 9 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 3fa3 n SER 9 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3fa3 n SER 9 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3fa3 h LEU 10 N 0.00 0.74 -0.02 2.46 5.85 -0.71 -2.74 115.31 120.89 3fa3 h LEU 10 Ca 0.00 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 3fa3 h LEU 10 Cb 0.00 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 3fa3 h LEU 10 CO 0.00 1.38 0.01 -0.09 -0.34 0.00 0.00 178.44 179.40 3fa3 h ARG 11 N 0.33 0.03 0.00 1.25 2.43 0.37 -2.01 114.38 116.78 3fa3 h ARG 11 Ca -0.10 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3fa3 h ARG 11 Cb 1.62 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3fa3 h ARG 11 CO 0.18 0.13 -0.08 -0.09 -1.51 0.00 0.00 179.97 178.60 3fa3 h ARG 12 N -0.07 0.00 0.08 0.20 9.65 -0.25 -3.14 114.38 120.84 3fa3 h ARG 12 Ca 0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3fa3 h ARG 12 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3fa3 h ARG 12 CO -0.00 0.08 -0.04 0.00 2.80 0.00 0.00 179.97 182.81 3fa3 h ALA 13 N 1.92 -0.10 -1.00 2.80 0.00 -1.11 -3.18 119.26 118.59 3fa3 h ALA 13 Ca -0.00 -0.28 0.41 0.00 0.00 0.00 0.00 54.91 55.04 3fa3 h ALA 13 Cb 0.16 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.81 3fa3 h ALA 13 CO 0.01 -0.16 0.49 1.28 0.00 0.00 0.00 179.25 180.87 3fa3 n LEU 14 N -4.80 0.31 0.10 0.00 4.77 -0.80 -0.14 117.00 116.43 3fa3 n LEU 14 Ca -0.07 1.66 0.08 0.00 -0.03 0.00 0.00 56.01 57.65 3fa3 n LEU 14 Cb 0.29 -0.79 0.40 0.00 -2.33 0.00 0.00 43.42 40.99 3fa3 n LEU 14 CO 0.25 -1.84 0.75 -0.62 -1.33 0.00 0.00 177.39 174.60 3fa3 n GLU 15 N -5.27 0.10 -3.37 3.23 1.02 -1.19 -4.43 120.64 110.73 3fa3 n GLU 15 Ca 0.37 0.51 -0.43 0.00 -0.02 0.00 0.00 57.16 57.59 3fa3 n GLU 15 Cb 1.24 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 30.79 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 -3.73 6.17 0.54 1.62 3.04 0.80 -4.95 114.94 118.43 3fa3 s ASN 16 Ca 0.01 -0.64 0.30 0.00 0.04 0.00 0.00 52.86 52.57 3fa3 s ASN 16 Cb 0.06 -2.20 1.46 0.00 -1.54 0.00 0.00 41.25 39.02 3fa3 s ASN 16 CO 0.21 -0.50 1.92 -0.65 -3.04 0.00 0.00 177.10 175.04 3fa3 h PRO 17 N 8.66 0.00 -0.21 0.43 0.11 -1.84 -1.02 132.00 138.12 3fa3 h PRO 17 Ca -0.27 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.71 3fa3 h PRO 17 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fa3 h PRO 17 CO 0.76 0.00 -0.43 0.22 -0.21 0.00 0.00 178.00 178.34 3fa3 h ASP 18 N 0.00 0.54 -4.07 -2.05 1.82 -1.92 -3.46 116.42 107.28 3fa3 h ASP 18 Ca 0.37 -0.25 -0.53 0.00 -0.39 0.00 0.00 57.03 56.23 3fa3 h ASP 18 Cb 1.49 -0.15 0.19 0.00 0.68 0.00 0.00 39.33 41.54 3fa3 h ASP 18 CO -0.00 0.90 0.16 -1.20 -1.61 0.00 0.00 179.24 177.48 3fa3 n SER 19 N -4.02 0.34 -3.64 2.28 7.64 -0.39 -5.08 113.62 110.75 3fa3 n SER 19 Ca -0.02 0.51 -0.04 0.00 1.01 0.00 0.00 58.87 60.32 3fa3 n SER 19 Cb 0.52 -1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.21 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 -2.31 -0.68 -0.27 1.43 5.36 -1.26 -4.94 117.98 115.31 3fa3 s PHE 20 Ca 0.69 1.39 -0.06 0.00 -0.96 0.00 0.00 56.93 57.99 3fa3 s PHE 20 Cb -0.27 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 3fa3 s PHE 20 CO 0.55 -0.34 0.05 0.42 -1.46 0.00 0.00 175.22 174.44 3fa3 s ILE 21 N 1.27 3.80 -0.27 3.12 1.09 -0.37 -5.01 121.20 124.84 3fa3 s ILE 21 Ca -0.08 -0.64 -0.14 0.00 -1.10 0.00 0.00 60.65 58.68 3fa3 s ILE 21 Cb -0.04 -2.91 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 3fa3 s ILE 21 CO -0.15 0.17 0.35 -0.69 -0.10 0.00 0.00 174.94 174.52 3fa3 s VAL 22 N 1.49 5.19 -0.35 2.92 1.01 -1.26 -1.27 120.40 128.13 3fa3 s VAL 22 Ca 0.03 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3fa3 s VAL 22 Cb -0.16 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.68 3fa3 s VAL 22 CO 0.01 0.18 0.25 0.00 0.00 0.00 0.00 175.10 175.54 3fa3 s ALA 23 N 1.98 0.54 0.36 5.51 0.00 -1.01 -3.24 121.76 125.90 3fa3 s ALA 23 Ca 0.14 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 3fa3 s ALA 23 Cb -0.16 -1.71 -0.11 0.00 0.00 0.00 0.00 23.12 21.14 3fa3 s ALA 23 CO 0.10 -2.10 1.53 -0.35 0.00 0.00 0.00 175.76 174.94 3fa3 n PRO 24 N 4.16 2.71 -1.81 0.00 -0.04 -1.25 -3.36 135.00 135.41 3fa3 n PRO 24 Ca 0.11 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 64.10 3fa3 n PRO 24 Cb 0.39 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 3fa3 n PRO 24 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fa3 s GLY 25 N 0.05 1.35 0.10 0.55 0.00 -0.19 -1.25 107.32 107.93 3fa3 s GLY 25 Ca 0.56 1.49 -0.05 0.00 0.00 0.00 0.00 44.72 46.72 3fa3 s GLY 25 CO 0.60 2.81 0.11 0.14 0.00 0.00 0.00 173.10 176.75 3fa3 s VAL 26 N 1.32 0.15 0.00 1.40 1.01 0.13 -3.38 120.40 121.03 3fa3 s VAL 26 Ca 0.73 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3fa3 s VAL 26 Cb -0.47 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3fa3 s VAL 26 CO 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 175.10 174.74 3fa3 n TYR 27 N -0.03 0.00 -3.88 5.22 4.11 -1.26 -2.04 117.16 119.27 3fa3 n TYR 27 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.79 3fa3 n TYR 27 Cb 0.62 0.03 0.01 0.00 -0.00 0.00 0.00 39.34 40.00 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 -0.51 -0.14 9.48 5.75 -1.26 -4.39 116.55 125.48 3fa3 n ASP 28 Ca 0.00 -1.13 -0.11 0.00 -0.01 0.00 0.00 54.79 53.55 3fa3 n ASP 28 Cb 0.20 0.79 -0.02 0.00 -1.03 0.00 0.00 41.12 41.07 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 0.81 0.80 0.47 6.12 0.00 -1.98 -2.19 103.07 107.10 3fa3 h GLY 29 Ca -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3fa3 h GLY 29 CO 0.13 0.57 -0.08 1.41 0.00 0.00 0.00 176.54 178.57 3fa3 h LEU 30 N 0.56 -0.18 -2.22 3.11 3.38 -1.98 -2.01 115.31 115.98 3fa3 h LEU 30 Ca 0.11 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3fa3 h LEU 30 Cb 0.55 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3fa3 h LEU 30 CO 0.03 0.31 0.21 0.77 0.09 0.00 0.00 178.44 179.85 3fa3 h SER 31 N -0.74 0.00 0.64 -0.43 4.64 -1.95 -1.38 113.55 114.32 3fa3 h SER 31 Ca -0.02 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 3fa3 h SER 31 Cb 0.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 3fa3 h SER 31 CO 0.04 0.00 -1.49 0.00 -0.87 0.00 0.00 176.83 174.50 3fa3 h ALA 32 N 1.57 0.62 0.21 5.18 0.00 -1.14 -3.21 119.26 122.49 3fa3 h ALA 32 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 54.91 53.32 3fa3 h ALA 32 Cb 0.42 0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.54 3fa3 h ALA 32 CO 0.00 1.47 -1.32 0.00 0.00 0.00 0.00 179.25 179.39 3fa3 h ARG 33 N 0.00 0.53 -0.84 0.00 2.47 -0.53 -1.95 114.38 114.06 3fa3 h ARG 33 Ca -0.20 -0.85 -0.02 0.00 -1.26 0.00 0.00 59.98 57.65 3fa3 h ARG 33 Cb 1.94 0.31 -0.04 0.00 -1.65 0.00 0.00 29.97 30.53 3fa3 h ARG 33 CO 0.10 1.40 0.44 0.28 0.56 0.00 0.00 179.97 182.75 3fa3 h VAL 34 N 0.10 1.25 0.00 2.04 2.07 -1.55 0.97 116.25 121.13 3fa3 h VAL 34 Ca -0.22 -0.65 -0.18 0.00 0.82 0.00 0.00 66.70 66.47 3fa3 h VAL 34 Cb 2.03 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3fa3 h VAL 34 CO 0.25 0.29 -0.83 0.00 0.02 0.00 0.00 177.57 177.30 3fa3 h ALA 35 N 1.29 0.63 -0.26 1.67 0.00 -1.63 -3.02 119.26 117.93 3fa3 h ALA 35 Ca 0.30 -0.75 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 3fa3 h ALA 35 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fa3 h ALA 35 CO -0.04 1.03 -0.46 -0.07 0.00 0.00 0.00 179.25 179.70 3fa3 h LEU 36 N 0.00 0.86 0.00 0.00 4.07 -0.96 -2.74 115.31 116.55 3fa3 h LEU 36 Ca -0.01 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.42 3fa3 h LEU 36 Cb 1.47 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3fa3 h LEU 36 CO 0.11 1.23 0.00 -1.20 -1.08 0.00 0.00 178.44 177.50 3fa3 n SER 37 N -4.12 0.00 -0.40 -0.43 7.64 0.33 -3.04 113.62 113.60 3fa3 n SER 37 Ca -0.05 -0.21 0.05 0.00 1.01 0.00 0.00 58.87 59.68 3fa3 n SER 37 Cb 0.58 -0.06 0.13 0.00 -1.01 0.00 0.00 64.21 63.84 3fa3 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fa3 n ALA 38 N -1.06 2.31 -0.28 -0.43 0.00 -1.04 -4.98 120.51 115.03 3fa3 n ALA 38 Ca 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.88 3fa3 n ALA 38 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.37 0.66 3.76 0.00 0.00 -1.17 -5.05 105.19 103.02 3fa3 n GLY 39 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.58 3.67 -0.10 1.61 0.40 -1.21 -4.98 117.98 114.80 3fa3 s PHE 40 Ca 0.00 1.76 0.22 0.00 -0.60 0.00 0.00 56.93 58.32 3fa3 s PHE 40 Cb 0.00 -3.15 -0.23 0.00 0.51 0.00 0.00 43.02 40.15 3fa3 s PHE 40 CO 0.00 -0.21 0.66 -0.25 0.70 0.00 0.00 175.22 176.12 3fa3 n ASP 41 N 1.08 0.27 -4.01 1.36 8.00 -1.26 -4.87 116.55 117.12 3fa3 n ASP 41 Ca -0.00 0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.52 3fa3 n ASP 41 Cb 0.46 1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 42.96 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 -3.47 0.21 0.06 2.24 0.00 -1.20 -3.90 121.76 115.70 3fa3 s ALA 42 Ca -0.06 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3fa3 s ALA 42 Cb 0.13 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3fa3 s ALA 42 CO 0.87 -0.29 -0.12 -0.51 0.00 0.00 0.00 175.76 175.71 3fa3 s LEU 43 N -2.22 2.26 -0.13 0.00 1.43 -0.98 -3.86 118.68 115.18 3fa3 s LEU 43 Ca -0.04 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3fa3 s LEU 43 Cb -0.00 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 3fa3 s LEU 43 CO -0.06 -0.12 -0.14 -0.47 0.23 0.00 0.00 176.35 175.80 3fa3 s TYR 44 N -1.29 2.79 -0.33 0.29 5.04 -0.38 -0.25 117.35 123.22 3fa3 s TYR 44 Ca -0.05 -0.71 -0.17 0.00 -2.44 0.00 0.00 57.07 53.71 3fa3 s TYR 44 Cb -0.10 -1.84 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 3fa3 s TYR 44 CO 0.02 -0.25 0.45 1.41 -1.34 0.00 0.00 175.55 175.84 3fa3 s MET 45 N 0.39 3.71 -0.02 4.97 -2.45 0.82 0.23 119.30 126.94 3fa3 s MET 45 Ca -0.11 -0.15 -0.20 0.00 -1.25 0.00 0.00 55.69 53.98 3fa3 s MET 45 Cb -0.16 -3.77 -0.05 0.00 1.25 0.00 0.00 34.83 32.10 3fa3 s MET 45 CO 0.06 -0.53 0.57 -0.08 1.05 0.00 0.00 175.02 176.08 3fa3 s THR 46 N 2.24 4.96 0.18 10.11 -1.32 -0.87 -1.98 115.64 128.97 3fa3 s THR 46 Ca 0.17 1.18 -0.10 0.00 -1.21 0.00 0.00 61.69 61.72 3fa3 s THR 46 Cb -0.16 -3.90 0.09 0.00 -1.51 0.00 0.00 72.50 67.03 3fa3 s THR 46 CO 0.12 0.41 1.72 1.23 -2.21 0.00 0.00 174.62 175.89 3fa3 h GLY 47 N 5.74 1.08 0.99 6.08 0.00 -1.92 -0.98 103.07 114.05 3fa3 h GLY 47 Ca -0.45 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.22 3fa3 h GLY 47 CO 0.70 0.59 -0.34 0.00 0.00 0.00 0.00 176.54 177.48 3fa3 h ALA 48 N 1.09 -0.96 -0.81 3.60 0.00 -1.97 -1.19 119.26 119.02 3fa3 h ALA 48 Ca 0.21 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3fa3 h ALA 48 Cb 0.28 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 3fa3 h ALA 48 CO -0.01 -1.03 0.44 0.78 0.00 0.00 0.00 179.25 179.43 3fa3 h GLY 49 N -0.98 1.27 0.81 0.00 0.00 -1.91 0.35 103.07 102.61 3fa3 h GLY 49 Ca -0.10 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 46.97 3fa3 h GLY 49 CO 0.16 0.06 -0.05 -0.84 0.00 0.00 0.00 176.54 175.87 3fa3 h THR 50 N 0.70 0.86 -0.38 4.70 2.02 -1.00 0.35 112.91 120.16 3fa3 h THR 50 Ca 0.41 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.66 3fa3 h THR 50 Cb 0.46 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 3fa3 h THR 50 CO -0.29 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.55 3fa3 h ALA 51 N 0.98 0.30 0.48 6.16 0.00 0.14 0.53 119.26 127.85 3fa3 h ALA 51 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3fa3 h ALA 51 Cb 0.12 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fa3 h ALA 51 CO -0.09 -0.43 -0.25 0.00 0.00 0.00 0.00 179.25 178.48 3fa3 h ALA 52 N 1.36 -0.67 0.56 0.00 0.00 0.15 0.40 119.26 121.05 3fa3 h ALA 52 Ca 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fa3 h ALA 52 Cb 0.28 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fa3 h ALA 52 CO -0.36 -0.88 -0.27 1.03 0.00 0.00 0.00 179.25 178.77 3fa3 h SER 53 N -0.68 -0.63 -0.21 0.00 0.87 0.06 0.80 113.55 113.76 3fa3 h SER 53 Ca -0.06 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 3fa3 h SER 53 Cb 0.53 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3fa3 h SER 53 CO 0.09 -0.36 -0.15 0.58 -0.53 0.00 0.00 176.83 176.46 3fa3 h VAL 54 N -0.88 1.32 0.00 2.23 2.07 -1.03 -3.39 116.25 116.57 3fa3 h VAL 54 Ca -0.08 -1.27 -0.30 0.00 0.82 0.00 0.00 66.70 65.87 3fa3 h VAL 54 Cb 0.62 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 3fa3 h VAL 54 CO 0.13 0.39 -2.25 1.41 0.02 0.00 0.00 177.57 177.26 3fa3 n HIS 55 N -4.48 0.00 -0.88 1.57 8.25 0.10 -4.97 115.22 114.82 3fa3 n HIS 55 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3fa3 n HIS 55 Cb 0.37 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.61 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 1.77 0.54 3.42 -1.41 0.00 0.27 -5.01 105.19 104.78 3fa3 n GLY 56 Ca -0.27 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.78 1.52 0.96 1.61 2.00 -1.17 -4.96 119.66 117.83 3fa3 s GLN 57 Ca 0.00 -1.59 -0.13 0.00 -2.00 0.00 0.00 55.36 51.63 3fa3 s GLN 57 Cb 0.00 -1.67 0.17 0.00 0.80 0.00 0.00 33.01 32.30 3fa3 s GLN 57 CO 0.00 0.34 1.15 0.00 -0.50 0.00 0.00 175.29 176.28 3fa3 s ALA 58 N -2.12 1.64 -1.13 1.58 0.00 -1.26 -2.85 121.76 117.61 3fa3 s ALA 58 Ca 0.23 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 3fa3 s ALA 58 Cb -0.06 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3fa3 s ALA 58 CO 0.11 -2.49 1.81 0.34 0.00 0.00 0.00 175.76 175.53 3fa3 s ASP 59 N -4.07 5.77 -0.12 0.00 3.68 -1.26 -4.80 116.67 115.87 3fa3 s ASP 59 Ca 0.66 -1.65 0.15 0.00 2.13 0.00 0.00 52.55 53.84 3fa3 s ASP 59 Cb -0.13 -2.58 0.34 0.00 -1.45 0.00 0.00 42.92 39.10 3fa3 s ASP 59 CO 0.54 -2.25 1.16 0.18 0.13 0.00 0.00 175.17 174.93 3fa3 n LEU 60 N 11.83 1.90 -2.90 -1.34 4.77 -1.26 -4.98 117.00 125.01 3fa3 n LEU 60 Ca 0.43 -2.91 -0.13 0.00 -0.03 0.00 0.00 56.01 53.37 3fa3 n LEU 60 Cb 0.47 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 3fa3 n LEU 60 CO 0.68 0.89 0.08 0.61 -1.33 0.00 0.00 177.39 178.32 3fa3 n GLY 61 N -0.70 -0.22 0.07 -0.72 0.00 -1.26 -4.94 105.19 97.43 3fa3 n GLY 61 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 3fa3 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 62 N -3.41 0.00 -4.08 -0.61 2.08 -1.26 -4.97 119.36 107.11 3fa3 n ILE 62 Ca -0.22 -0.47 -0.35 0.00 0.56 0.00 0.00 62.75 62.27 3fa3 n ILE 62 Cb 0.63 1.04 -0.12 0.00 -0.75 0.00 0.00 39.64 40.44 3fa3 n ILE 62 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fa3 s THR 64 N 0.84 2.28 0.14 0.00 -4.23 -1.26 -4.87 115.64 108.54 3fa3 s THR 64 Ca 0.01 -0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 60.03 3fa3 s THR 64 Cb -0.14 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.74 3fa3 s THR 64 CO 0.02 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.04 3fa3 h LEU 65 N -0.60 -0.27 -0.88 4.79 5.85 -1.95 -1.96 115.31 120.28 3fa3 h LEU 65 Ca -0.44 0.08 0.23 0.00 0.84 0.00 0.00 57.88 58.60 3fa3 h LEU 65 Cb 1.31 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 42.36 3fa3 h LEU 65 CO 0.58 -0.10 0.11 0.78 -0.34 0.00 0.00 178.44 179.47 3fa3 h ASN 66 N -0.01 -0.25 0.08 1.25 4.21 -1.99 0.15 115.58 119.03 3fa3 h ASN 66 Ca 0.13 0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.86 3fa3 h ASN 66 Cb 0.21 0.36 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3fa3 h ASN 66 CO -0.28 -0.23 -0.04 0.44 -1.29 0.00 0.00 177.43 176.02 3fa3 h ASP 67 N 0.11 -0.09 0.36 5.81 3.32 -1.85 -2.37 116.42 121.71 3fa3 h ASP 67 Ca 0.53 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3fa3 h ASP 67 Cb 1.06 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3fa3 h ASP 67 CO -0.75 0.38 -0.17 0.24 -1.72 0.00 0.00 179.24 177.21 3fa3 h MET 68 N -0.59 -0.47 -0.37 3.56 2.86 -0.59 -0.32 114.93 119.02 3fa3 h MET 68 Ca -0.01 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3fa3 h MET 68 Cb 0.49 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 3fa3 h MET 68 CO 0.02 -0.27 0.16 -0.09 1.06 0.00 0.00 176.91 177.78 3fa3 h ARG 69 N -0.56 0.32 -0.61 1.72 1.12 -0.81 0.30 114.38 115.86 3fa3 h ARG 69 Ca -0.05 -0.02 0.09 0.00 -1.11 0.00 0.00 59.98 58.89 3fa3 h ARG 69 Cb 0.42 -0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 30.24 3fa3 h ARG 69 CO 0.08 0.21 0.24 0.00 -3.11 0.00 0.00 179.97 177.39 3fa3 h ALA 70 N 1.21 0.79 0.14 2.80 0.00 -1.27 0.16 119.26 123.09 3fa3 h ALA 70 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fa3 h ALA 70 Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fa3 h ALA 70 CO -0.14 -0.17 -0.07 -0.97 0.00 0.00 0.00 179.25 177.90 3fa3 h ASN 71 N 0.43 -0.15 -0.71 0.00 -1.24 0.65 -2.28 115.58 112.28 3fa3 h ASN 71 Ca 0.31 -0.32 0.16 0.00 0.71 0.00 0.00 56.30 57.16 3fa3 h ASN 71 Cb 0.36 0.04 -0.12 0.00 0.73 0.00 0.00 38.32 39.33 3fa3 h ASN 71 CO -0.29 0.26 0.04 0.00 -1.29 0.00 0.00 177.43 176.14 3fa3 h ALA 72 N 0.17 0.77 -0.25 1.57 0.00 -0.23 -2.04 119.26 119.25 3fa3 h ALA 72 Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 72 Cb 0.46 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fa3 h ALA 72 CO 0.03 -0.40 0.14 1.49 0.00 0.00 0.00 179.25 180.51 3fa3 h GLU 73 N 0.14 0.35 0.00 0.00 4.81 -0.53 0.30 114.58 119.65 3fa3 h GLU 73 Ca 0.39 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.52 3fa3 h GLU 73 Cb 0.67 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3fa3 h GLU 73 CO -0.60 0.31 -0.26 0.00 -0.73 0.00 0.00 179.01 177.73 3fa3 h MET 74 N 0.30 0.00 0.22 1.92 -0.00 -0.99 -2.23 114.93 114.14 3fa3 h MET 74 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.78 3fa3 h MET 74 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 3fa3 h MET 74 CO -0.01 0.26 -0.10 0.82 -0.00 0.00 0.00 176.91 177.87 3fa3 h ILE 75 N 0.00 0.62 -0.66 -0.10 2.04 -0.73 -3.19 117.51 115.48 3fa3 h ILE 75 Ca -0.00 -0.99 0.19 0.00 1.00 0.00 0.00 64.86 65.06 3fa3 h ILE 75 Cb 0.57 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3fa3 h ILE 75 CO 0.03 0.16 0.57 0.28 0.00 0.00 0.00 178.15 179.19 3fa3 h SER 76 N -0.93 0.00 -0.51 1.72 0.02 -0.82 -2.60 113.55 110.44 3fa3 h SER 76 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3fa3 h SER 76 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3fa3 h SER 76 CO 0.05 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.33 3fa3 n ASN 77 N -3.96 4.52 0.08 3.07 3.02 -0.85 -3.66 115.26 117.48 3fa3 n ASN 77 Ca 0.13 -2.62 -0.12 0.00 -0.03 0.00 0.00 54.58 51.94 3fa3 n ASN 77 Cb 0.82 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 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 3.27 1.44 -1.89 2.41 2.04 -1.45 -3.41 117.51 119.92 3fa3 h ILE 78 Ca 0.00 -2.57 -0.21 0.00 1.00 0.00 0.00 64.86 63.08 3fa3 h ILE 78 Cb 1.46 2.49 -0.30 0.00 -0.74 0.00 0.00 36.82 39.73 3fa3 h ILE 78 CO 0.25 0.76 -0.54 -0.94 0.00 0.00 0.00 178.15 177.68 3fa3 s SER 79 N -7.04 0.65 0.00 1.72 1.04 -1.26 -5.04 113.70 103.76 3fa3 s SER 79 Ca -0.05 -0.26 0.22 0.00 0.48 0.00 0.00 55.95 56.34 3fa3 s SER 79 Cb 0.09 0.95 1.15 0.00 0.10 0.00 0.00 66.02 68.31 3fa3 s SER 79 CO 0.86 -0.34 1.71 -2.65 0.98 0.00 0.00 173.24 173.79 3fa3 n PRO 80 N 5.35 0.39 -0.01 4.02 -0.02 -1.24 -1.35 135.00 142.13 3fa3 n PRO 80 Ca -0.02 0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.46 3fa3 n PRO 80 Cb 0.49 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.23 0.89 -4.67 2.55 3.41 -1.26 -3.91 113.62 109.39 3fa3 n SER 81 Ca 0.12 0.42 -0.43 0.00 -0.26 0.00 0.00 58.87 58.72 3fa3 n SER 81 Cb 0.15 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.67 4.16 0.39 6.66 2.01 -0.46 -4.84 115.64 120.90 3fa3 s THR 82 Ca -0.04 1.46 -0.27 0.00 0.31 0.00 0.00 61.69 63.15 3fa3 s THR 82 Cb 0.08 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 3fa3 s THR 82 CO 0.82 -0.06 1.33 -2.84 -0.69 0.00 0.00 174.62 173.18 3fa3 s PRO 83 N 2.90 4.02 -0.16 4.92 0.02 -1.25 -4.91 135.00 140.53 3fa3 s PRO 83 Ca 0.57 2.22 -0.00 0.00 0.02 0.00 0.00 61.00 63.82 3fa3 s PRO 83 Cb -0.25 -2.82 0.04 0.00 0.02 0.00 0.00 34.50 31.49 3fa3 s PRO 83 CO 0.20 -0.47 -0.08 0.08 -0.33 0.00 0.00 177.00 176.39 3fa3 s VAL 84 N -1.22 1.28 -0.28 3.83 1.01 -1.26 -2.32 120.40 121.43 3fa3 s VAL 84 Ca 0.56 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 3fa3 s VAL 84 Cb -0.40 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3fa3 s VAL 84 CO 0.51 0.22 0.51 -0.63 0.00 0.00 0.00 175.10 175.71 3fa3 s ILE 85 N 1.57 5.06 0.03 2.22 1.01 0.65 -2.00 121.20 129.73 3fa3 s ILE 85 Ca 0.01 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.43 3fa3 s ILE 85 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3fa3 s ILE 85 CO -0.08 0.01 0.01 0.00 0.00 0.00 0.00 174.94 174.88 3fa3 s ALA 86 N 2.33 3.32 -0.13 9.38 0.00 0.30 -0.13 121.76 136.83 3fa3 s ALA 86 Ca 0.20 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 3fa3 s ALA 86 Cb -0.16 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 3fa3 s ALA 86 CO 0.10 0.67 0.82 0.34 0.00 0.00 0.00 175.76 177.69 3fa3 s ASP 87 N -1.81 7.00 -0.15 0.00 2.15 -0.84 -1.69 116.67 121.33 3fa3 s ASP 87 Ca 0.22 1.22 0.16 0.00 0.43 0.00 0.00 52.55 54.58 3fa3 s ASP 87 Cb -0.12 -2.46 0.47 0.00 -0.30 0.00 0.00 42.92 40.51 3fa3 s ASP 87 CO 0.13 -0.33 1.36 0.00 -0.17 0.00 0.00 175.17 176.16 3fa3 n ALA 88 N 4.82 2.80 -0.73 3.66 0.00 -0.97 -4.80 120.51 125.29 3fa3 n ALA 88 Ca 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.28 3fa3 n ALA 88 Cb 0.49 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.51 0.00 -0.09 0.00 8.00 -1.21 -2.37 116.55 120.37 3fa3 n ASP 89 Ca 0.19 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.81 3fa3 n ASP 89 Cb 0.80 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 42.03 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 0.00 0.00 -3.53 -2.24 -1.26 -2.05 114.28 105.20 3fa3 n THR 90 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3fa3 n THR 90 Cb 0.00 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.47 1.25 0.00 3.38 0.00 -1.00 -4.70 105.19 105.59 3fa3 n GLY 91 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.07 0.00 -3.22 1.61 0.53 -1.26 -3.92 117.16 110.82 3fa3 n TYR 92 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3fa3 n TYR 92 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3fa3 n GLY 93 N -1.98 -1.68 0.00 2.72 0.00 -1.26 -4.95 105.19 98.03 3fa3 n GLY 93 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.19 -1.55 0.22 -0.02 0.00 -1.26 -4.51 105.19 97.88 3fa3 n GLY 94 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 0.34 -0.96 1.61 0.11 -1.97 0.35 132.00 131.49 3fa3 h PRO 95 Ca 0.00 -0.02 0.29 0.00 0.11 0.00 0.00 66.00 66.38 3fa3 h PRO 95 Cb 0.00 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 30.89 3fa3 h PRO 95 CO 0.00 0.22 0.44 0.82 -0.21 0.00 0.00 178.00 179.27 3fa3 h ILE 96 N 0.35 0.31 0.04 4.15 1.08 -1.98 -0.75 117.51 120.69 3fa3 h ILE 96 Ca 0.27 -0.10 -0.30 0.00 -0.39 0.00 0.00 64.86 64.34 3fa3 h ILE 96 Cb 0.33 -0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 3fa3 h ILE 96 CO -0.29 0.05 -1.69 -0.03 -0.69 0.00 0.00 178.15 175.50 3fa3 h MET 97 N 0.29 0.07 -0.61 2.37 4.05 -1.28 -2.69 114.93 117.14 3fa3 h MET 97 Ca 0.66 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.95 3fa3 h MET 97 Cb 1.45 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.27 3fa3 h MET 97 CO -0.63 0.72 0.35 0.28 0.23 0.00 0.00 176.91 177.87 3fa3 h VAL 98 N 0.02 1.19 0.01 -5.77 2.07 -0.38 -1.17 116.25 112.22 3fa3 h VAL 98 Ca -0.29 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3fa3 h VAL 98 Cb 2.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3fa3 h VAL 98 CO 0.09 0.20 -0.01 0.00 0.02 0.00 0.00 177.57 177.88 3fa3 h ALA 99 N 1.17 -0.01 -0.19 1.67 0.00 -1.22 0.62 119.26 121.30 3fa3 h ALA 99 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fa3 h ALA 99 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fa3 h ALA 99 CO -0.04 -0.45 0.12 0.07 0.00 0.00 0.00 179.25 178.95 3fa3 h ARG 100 N -0.12 0.24 -0.41 0.00 0.11 -1.40 0.88 114.38 113.67 3fa3 h ARG 100 Ca -0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 3fa3 h ARG 100 Cb 0.12 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 3fa3 h ARG 100 CO 0.00 0.16 0.15 1.15 0.10 0.00 0.00 179.97 181.53 3fa3 h THR 101 N 0.25 1.20 0.46 0.08 2.02 -0.65 -1.32 112.91 114.95 3fa3 h THR 101 Ca 0.07 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3fa3 h THR 101 Cb -0.02 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3fa3 h THR 101 CO -0.01 0.23 -0.22 0.74 0.37 0.00 0.00 175.52 176.62 3fa3 h THR 102 N 0.52 0.54 -0.36 3.16 2.02 0.19 -2.12 112.91 116.85 3fa3 h THR 102 Ca 0.14 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.27 3fa3 h THR 102 Cb 0.21 0.60 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 3fa3 h THR 102 CO -0.01 0.02 -0.16 -0.33 0.37 0.00 0.00 175.52 175.42 3fa3 h GLU 103 N -0.70 -0.09 -0.06 6.66 5.08 0.72 -1.44 114.58 124.76 3fa3 h GLU 103 Ca -0.06 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3fa3 h GLU 103 Cb 0.51 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3fa3 h GLU 103 CO 0.10 -0.06 -0.07 1.96 -1.00 0.00 0.00 179.01 179.95 3fa3 h GLN 104 N -0.09 0.15 -0.42 2.33 4.20 -1.24 -1.76 115.11 118.29 3fa3 h GLN 104 Ca 0.18 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.89 3fa3 h GLN 104 Cb 0.37 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.06 3fa3 h GLN 104 CO -0.42 0.61 -0.29 1.88 -0.67 0.00 0.00 178.83 179.94 3fa3 h TYR 105 N -0.29 -0.78 0.12 2.96 -1.99 -1.34 0.01 116.97 115.66 3fa3 h TYR 105 Ca 0.01 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3fa3 h TYR 105 Cb 0.58 0.40 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 3fa3 h TYR 105 CO 0.09 -0.35 -0.29 0.77 -0.00 0.00 0.00 178.16 178.38 3fa3 h SER 106 N -0.21 -0.85 -1.01 3.88 0.02 -0.90 -1.40 113.55 113.08 3fa3 h SER 106 Ca 0.19 0.08 0.24 0.00 -0.84 0.00 0.00 61.79 61.46 3fa3 h SER 106 Cb 0.51 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 63.26 3fa3 h SER 106 CO -0.54 -0.32 0.64 0.03 -1.14 0.00 0.00 176.83 175.49 3fa3 h ARG 107 N -0.45 0.49 0.00 3.45 3.08 -1.22 0.53 114.38 120.27 3fa3 h ARG 107 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3fa3 h ARG 107 Cb 0.43 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3fa3 h ARG 107 CO -0.13 0.33 -0.12 0.77 -1.07 0.00 0.00 179.97 179.75 3fa3 h SER 108 N 0.51 0.00 0.00 7.04 0.02 -0.18 -3.46 113.55 117.47 3fa3 h SER 108 Ca 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 3fa3 h SER 108 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3fa3 h SER 108 CO -0.33 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.09 3fa3 n GLY 109 N -0.92 1.15 3.72 -3.77 0.00 0.19 -4.71 105.19 100.85 3fa3 n GLY 109 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3fa3 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa3 n VAL 110 N -1.33 0.71 0.02 1.61 0.31 -0.89 -4.24 118.33 114.52 3fa3 n VAL 110 Ca 0.00 -0.18 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 3fa3 n VAL 110 Cb 0.00 -1.83 -0.14 0.00 -0.91 0.00 0.00 33.84 30.96 3fa3 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fa3 h ALA 111 N 5.17 0.47 -2.57 3.52 0.00 -1.73 -3.42 119.26 120.70 3fa3 h ALA 111 Ca -0.46 -1.28 -0.07 0.00 0.00 0.00 0.00 54.91 53.10 3fa3 h ALA 111 Cb 1.23 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 19.30 3fa3 h ALA 111 CO 0.83 1.32 -0.10 0.00 0.00 0.00 0.00 179.25 181.30 3fa3 s ALA 112 N -2.60 -1.00 0.13 0.00 0.00 -1.05 -1.87 121.76 115.37 3fa3 s ALA 112 Ca -0.11 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 3fa3 s ALA 112 Cb 0.07 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3fa3 s ALA 112 CO 0.82 -0.49 0.06 -0.59 0.00 0.00 0.00 175.76 175.55 3fa3 s PHE 113 N -2.72 0.88 0.12 0.00 -0.12 -0.89 0.11 117.98 115.37 3fa3 s PHE 113 Ca -0.04 -1.23 0.10 0.00 -0.05 0.00 0.00 56.93 55.71 3fa3 s PHE 113 Cb -0.00 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 3fa3 s PHE 113 CO -0.04 -0.51 -0.23 -3.38 -0.05 0.00 0.00 175.22 171.01 3fa3 s HIS 114 N -4.03 2.41 -0.02 3.49 -3.43 -0.68 -2.13 115.29 110.90 3fa3 s HIS 114 Ca 0.24 -0.33 0.04 0.00 -0.80 0.00 0.00 55.06 54.22 3fa3 s HIS 114 Cb 0.07 -1.29 -0.01 0.00 -1.43 0.00 0.00 32.58 29.92 3fa3 s HIS 114 CO 0.02 0.36 -0.14 0.42 -2.00 0.00 0.00 174.74 173.39 3fa3 s ILE 115 N -1.09 1.16 0.50 -5.38 1.01 -0.97 -2.29 121.20 114.13 3fa3 s ILE 115 Ca 0.16 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3fa3 s ILE 115 Cb -0.10 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.41 3fa3 s ILE 115 CO 0.08 0.33 0.19 -1.84 0.00 0.00 0.00 174.94 173.70 3fa3 n GLU 116 N 2.84 0.78 -0.41 2.79 0.28 -0.87 -0.51 120.64 125.55 3fa3 n GLU 116 Ca -0.15 -3.37 0.08 0.00 -0.16 0.00 0.00 57.16 53.56 3fa3 n GLU 116 Cb 0.55 0.65 0.24 0.00 1.43 0.00 0.00 31.44 34.31 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 -1.56 3.75 -4.81 -1.84 5.68 -1.24 -4.79 116.55 111.74 3fa3 n ASP 117 Ca -0.11 -2.84 -0.33 0.00 -0.50 0.00 0.00 54.79 51.00 3fa3 n ASP 117 Cb 0.60 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.51 3.69 0.69 0.11 -0.21 -1.26 0.10 119.66 120.26 3fa3 s GLN 118 Ca 0.39 1.22 -0.16 0.00 0.02 0.00 0.00 55.36 56.83 3fa3 s GLN 118 Cb 0.30 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 32.24 3fa3 s GLN 118 CO 0.10 -0.51 1.22 0.14 -2.12 0.00 0.00 175.29 174.12 3fa3 s VAL 119 N -2.26 2.34 -0.78 1.09 -7.23 -1.12 -4.46 120.40 107.98 3fa3 s VAL 119 Ca 0.64 0.18 -0.21 0.00 -1.81 0.00 0.00 61.98 60.79 3fa3 s VAL 119 Cb -0.15 -2.86 0.10 0.00 0.56 0.00 0.00 36.38 34.02 3fa3 s VAL 119 CO 0.27 -0.07 1.04 -1.58 -0.31 0.00 0.00 175.10 174.44 3fa3 s GLN 120 N -3.71 3.32 0.03 4.82 0.74 -1.26 -5.00 119.66 118.59 3fa3 s GLN 120 Ca 0.76 -1.24 0.00 0.00 0.05 0.00 0.00 55.36 54.93 3fa3 s GLN 120 Cb -0.31 -4.55 0.00 0.00 1.10 0.00 0.00 33.01 29.25 3fa3 s GLN 120 CO 0.42 -1.80 0.00 2.41 -0.55 0.00 0.00 175.29 175.76 3fa3 n THR 121 N 5.78 0.00 -3.51 -0.34 -1.04 -1.26 -5.15 114.28 108.75 3fa3 n THR 121 Ca 0.08 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.70 3fa3 n THR 121 Cb 0.47 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.88 3fa3 n THR 121 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3fa3 s LYS 130 N -1.31 3.75 -0.08 -2.82 1.02 -1.26 -4.76 119.74 114.27 3fa3 s LYS 130 Ca 0.00 -0.40 -0.08 0.00 0.02 0.00 0.00 55.97 55.51 3fa3 s LYS 130 Cb 0.00 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 3fa3 s LYS 130 CO 0.00 -0.33 0.20 0.42 -0.92 0.00 0.00 175.35 174.71 3fa3 s ILE 131 N 1.83 5.41 0.40 2.17 -1.09 -1.26 -5.03 121.20 123.63 3fa3 s ILE 131 Ca 0.08 0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.86 3fa3 s ILE 131 Cb -0.17 -3.47 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 3fa3 s ILE 131 CO 0.11 0.57 0.09 -0.76 -1.23 0.00 0.00 174.94 173.72 3fa3 s LEU 132 N -1.16 3.00 0.40 2.97 1.43 -1.26 -2.79 118.68 121.26 3fa3 s LEU 132 Ca 0.18 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 3fa3 s LEU 132 Cb -0.13 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 3fa3 s LEU 132 CO 0.08 -0.47 0.61 0.54 0.23 0.00 0.00 176.35 177.34 3fa3 s VAL 133 N -2.64 4.61 0.87 -1.59 0.11 0.28 -4.56 120.40 117.49 3fa3 s VAL 133 Ca 0.38 -0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 58.85 3fa3 s VAL 133 Cb 0.06 -3.69 0.12 0.00 -1.53 0.00 0.00 36.38 31.33 3fa3 s VAL 133 CO 0.20 -0.47 1.11 1.51 -3.33 0.00 0.00 175.10 174.12 3fa3 s ASP 134 N -4.12 3.77 0.11 3.54 -4.77 -1.26 -4.82 116.67 109.12 3fa3 s ASP 134 Ca 0.44 1.23 -0.31 0.00 -3.30 0.00 0.00 52.55 50.61 3fa3 s ASP 134 Cb -0.10 -1.90 -0.10 0.00 -1.09 0.00 0.00 42.92 39.73 3fa3 s ASP 134 CO 0.37 -2.42 1.59 0.74 0.70 0.00 0.00 175.17 176.16 3fa3 h THR 135 N -1.40 0.18 -0.94 2.11 2.02 -1.98 -1.97 112.91 110.93 3fa3 h THR 135 Ca -0.49 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.84 3fa3 h THR 135 Cb 1.30 0.18 -0.16 0.00 -1.74 0.00 0.00 68.15 67.73 3fa3 h THR 135 CO 0.59 0.00 -0.36 0.44 0.37 0.00 0.00 175.52 176.56 3fa3 h ASP 136 N -0.65 -1.32 -0.81 4.18 5.19 -1.98 0.93 116.42 121.95 3fa3 h ASP 136 Ca 0.02 0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.74 3fa3 h ASP 136 Cb 0.67 0.71 -0.04 0.00 0.18 0.00 0.00 39.33 40.85 3fa3 h ASP 136 CO -0.22 -0.29 0.53 0.74 -3.12 0.00 0.00 179.24 176.88 3fa3 h THR 137 N -0.02 1.18 0.11 0.35 2.02 -1.86 -1.87 112.91 112.82 3fa3 h THR 137 Ca 0.35 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3fa3 h THR 137 Cb 0.61 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3fa3 h THR 137 CO -0.95 0.20 -0.05 0.22 0.37 0.00 0.00 175.52 175.31 3fa3 h TYR 138 N 1.08 -0.13 -0.67 3.16 3.20 0.31 -1.44 116.97 122.47 3fa3 h TYR 138 Ca 0.31 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.37 3fa3 h TYR 138 Cb -0.09 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3fa3 h TYR 138 CO -0.02 0.31 0.77 0.28 -1.64 0.00 0.00 178.16 177.86 3fa3 h VAL 139 N -0.64 0.21 0.12 1.81 2.07 0.73 0.04 116.25 120.58 3fa3 h VAL 139 Ca -0.01 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 3fa3 h VAL 139 Cb 0.51 0.38 0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3fa3 h VAL 139 CO 0.02 0.00 -1.14 0.74 0.02 0.00 0.00 177.57 177.21 3fa3 h THR 140 N 0.00 1.32 -0.92 2.57 2.02 -0.42 -1.12 112.91 116.36 3fa3 h THR 140 Ca 0.32 -2.44 0.04 0.00 0.77 0.00 0.00 66.41 65.10 3fa3 h THR 140 Cb 1.85 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 70.97 3fa3 h THR 140 CO -0.00 0.73 0.60 0.03 0.37 0.00 0.00 175.52 177.25 3fa3 h ARG 141 N 0.16 1.12 0.59 6.66 3.08 -0.34 -1.65 114.38 124.01 3fa3 h ARG 141 Ca -0.18 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3fa3 h ARG 141 Cb 1.84 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 31.64 3fa3 h ARG 141 CO 0.22 0.74 -0.29 0.82 -1.07 0.00 0.00 179.97 180.40 3fa3 h ILE 142 N 1.15 0.11 -0.87 2.04 1.08 -0.88 -3.00 117.51 117.16 3fa3 h ILE 142 Ca 0.37 -0.40 0.25 0.00 -0.39 0.00 0.00 64.86 64.68 3fa3 h ILE 142 Cb 0.02 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 3fa3 h ILE 142 CO -0.11 0.02 0.66 0.03 -0.69 0.00 0.00 178.15 178.06 3fa3 h ARG 143 N -1.16 0.00 -0.41 2.37 3.08 -1.18 0.76 114.38 117.85 3fa3 h ARG 143 Ca -0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 3fa3 h ARG 143 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3fa3 h ARG 143 CO 0.13 0.00 -0.31 0.00 -1.07 0.00 0.00 179.97 178.72 3fa3 h ALA 144 N 1.50 0.59 -0.02 0.04 0.00 -1.17 -2.24 119.26 117.96 3fa3 h ALA 144 Ca 0.41 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 144 Cb 1.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3fa3 h ALA 144 CO -0.00 0.64 -0.87 0.00 0.00 0.00 0.00 179.25 179.01 3fa3 h ALA 145 N 0.80 0.46 0.00 0.00 0.00 -0.72 -0.29 119.26 119.51 3fa3 h ALA 145 Ca 0.08 -0.69 -0.23 0.00 0.00 0.00 0.00 54.91 54.07 3fa3 h ALA 145 Cb 0.90 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.67 3fa3 h ALA 145 CO 0.08 0.83 -0.90 -0.39 0.00 0.00 0.00 179.25 178.87 3fa3 h VAL 146 N 0.21 1.33 -0.53 0.00 -1.51 -1.52 -1.61 116.25 112.61 3fa3 h VAL 146 Ca -0.06 -2.19 0.03 0.00 -1.23 0.00 0.00 66.70 63.25 3fa3 h VAL 146 Cb 1.49 2.46 -0.04 0.00 -2.13 0.00 0.00 31.29 33.07 3fa3 h VAL 146 CO 0.15 0.67 0.31 1.56 -1.23 0.00 0.00 177.57 179.02 3fa3 h GLN 147 N 0.22 0.58 -0.14 5.19 4.20 -1.44 -0.93 115.11 122.80 3fa3 h GLN 147 Ca -0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3fa3 h GLN 147 Cb 1.57 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 3fa3 h GLN 147 CO 0.18 0.39 0.04 0.00 -0.67 0.00 0.00 178.83 178.76 3fa3 h ALA 148 N 1.25 1.82 0.27 3.87 0.00 -0.99 0.78 119.26 126.26 3fa3 h ALA 148 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fa3 h ALA 148 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fa3 h ALA 148 CO -0.12 0.15 -0.13 -0.09 0.00 0.00 0.00 179.25 179.06 3fa3 h ARG 149 N 0.19 -0.35 -0.33 0.00 2.43 -0.89 -3.24 114.38 112.19 3fa3 h ARG 149 Ca 0.05 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3fa3 h ARG 149 Cb 0.06 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3fa3 h ARG 149 CO -0.00 -0.00 0.15 1.96 -1.51 0.00 0.00 179.97 180.57 3fa3 h GLN 150 N -0.88 0.48 -1.18 0.20 4.20 -0.82 0.47 115.11 117.58 3fa3 h GLN 150 Ca -0.04 -0.07 0.34 0.00 0.06 0.00 0.00 58.65 58.94 3fa3 h GLN 150 Cb 0.51 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3fa3 h GLN 150 CO 0.06 0.45 0.99 0.00 -0.67 0.00 0.00 178.83 179.66 3fa3 h ARG 151 N 0.39 0.00 -0.00 1.46 3.08 -0.95 -0.46 114.38 117.91 3fa3 h ARG 151 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3fa3 h ARG 151 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3fa3 h ARG 151 CO -0.01 0.00 -0.36 0.44 -1.07 0.00 0.00 179.97 178.96 3fa3 n ILE 152 N -3.82 0.00 -2.70 2.04 -5.35 -0.70 -5.02 119.36 103.82 3fa3 n ILE 152 Ca 0.26 -0.32 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 3fa3 n ILE 152 Cb 1.37 1.05 0.02 0.00 -1.74 0.00 0.00 39.64 40.33 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 1.10 0.51 3.78 3.28 0.00 0.16 -5.00 105.19 109.01 3fa3 n GLY 153 Ca 0.03 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.04 7.35 0.00 1.61 0.15 -0.73 -4.96 113.70 114.08 3fa3 s SER 154 Ca 0.13 1.60 0.31 0.00 0.70 0.00 0.00 55.95 58.70 3fa3 s SER 154 Cb -0.06 -2.48 1.76 0.00 -1.71 0.00 0.00 66.02 63.53 3fa3 s SER 154 CO 0.17 0.22 2.16 0.47 1.20 0.00 0.00 173.24 177.45 3fa3 n ASP 155 N 1.60 0.02 -4.50 5.45 8.00 -1.26 -4.66 116.55 121.19 3fa3 n ASP 155 Ca -0.06 -0.69 -0.55 0.00 0.71 0.00 0.00 54.79 54.19 3fa3 n ASP 155 Cb 0.49 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.09 0.42 -3.14 0.53 3.06 -1.26 -4.64 119.36 113.24 3fa3 n ILE 156 Ca 0.20 -0.11 -0.40 0.00 -2.50 0.00 0.00 62.75 59.95 3fa3 n ILE 156 Cb 0.16 -0.19 -0.06 0.00 0.54 0.00 0.00 39.64 40.09 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 -0.12 5.03 -0.46 9.51 1.01 -0.78 -5.00 120.40 129.58 3fa3 s VAL 157 Ca 0.84 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 3fa3 s VAL 157 Cb -1.13 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 31.40 3fa3 s VAL 157 CO 0.55 0.10 0.37 -0.69 0.00 0.00 0.00 175.10 175.43 3fa3 s VAL 158 N 2.02 5.06 -0.55 2.92 1.01 -1.26 -2.09 120.40 127.50 3fa3 s VAL 158 Ca 0.27 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 3fa3 s VAL 158 Cb -0.16 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.30 3fa3 s VAL 158 CO 0.10 -0.55 0.61 -0.63 0.00 0.00 0.00 175.10 174.63 3fa3 s ILE 159 N 1.60 4.96 -0.26 2.22 1.01 -0.90 -0.39 121.20 129.44 3fa3 s ILE 159 Ca 0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 3fa3 s ILE 159 Cb -0.24 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.85 3fa3 s ILE 159 CO 0.06 -0.96 1.19 0.00 0.00 0.00 0.00 174.94 175.23 3fa3 s ALA 160 N 2.34 3.53 -0.19 9.38 0.00 -0.29 -2.30 121.76 134.23 3fa3 s ALA 160 Ca 0.10 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 3fa3 s ALA 160 Cb -0.25 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.18 3fa3 s ALA 160 CO 0.07 -1.42 -0.03 0.50 0.00 0.00 0.00 175.76 174.87 3fa3 s ARG 161 N 3.70 3.55 -0.10 0.00 3.52 0.33 -1.58 118.95 128.38 3fa3 s ARG 161 Ca 0.51 -0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 55.50 3fa3 s ARG 161 Cb -0.17 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 3fa3 s ARG 161 CO 0.16 0.04 0.12 -0.08 -0.81 0.00 0.00 175.30 174.72 3fa3 s THR 162 N 0.90 5.24 -0.62 4.11 -1.32 0.79 -3.61 115.64 121.13 3fa3 s THR 162 Ca -0.00 0.05 0.12 0.00 -1.21 0.00 0.00 61.69 60.65 3fa3 s THR 162 Cb -0.15 -3.29 0.37 0.00 -1.51 0.00 0.00 72.50 67.92 3fa3 s THR 162 CO 0.01 0.57 1.30 0.47 -2.21 0.00 0.00 174.62 174.76 3fa3 n ASP 163 N 1.86 3.20 0.12 8.08 8.00 -1.26 -1.96 116.55 134.59 3fa3 n ASP 163 Ca -0.18 -2.36 0.13 0.00 0.71 0.00 0.00 54.79 53.09 3fa3 n ASP 163 Cb 0.54 -0.33 0.33 0.00 -0.02 0.00 0.00 41.12 41.64 3fa3 n ASP 163 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3fa3 h SER 164 N 1.83 0.00 -0.31 -2.24 4.64 -1.94 -3.40 113.55 112.14 3fa3 h SER 164 Ca 0.00 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3fa3 h SER 164 Cb 0.97 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.97 3fa3 h SER 164 CO 0.08 0.01 -0.43 0.25 -0.87 0.00 0.00 176.83 175.86 3fa3 h LEU 165 N 0.00 -1.41 -0.50 5.97 5.85 -1.84 0.35 115.31 123.73 3fa3 h LEU 165 Ca 0.00 0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.78 3fa3 h LEU 165 Cb 0.79 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3fa3 h LEU 165 CO 0.00 -0.39 -0.66 0.06 -0.34 0.00 0.00 178.44 177.11 3fa3 h GLN 166 N -0.39 0.00 -0.26 1.25 3.07 -1.91 0.29 115.11 117.15 3fa3 h GLN 166 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 3fa3 h GLN 166 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 3fa3 h GLN 166 CO -0.51 0.66 0.00 0.25 0.09 0.00 0.00 178.83 179.32 3fa3 n THR 167 N -3.56 1.31 0.00 1.86 -2.24 -1.14 -4.59 114.28 105.93 3fa3 n THR 167 Ca -0.00 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 3fa3 n THR 167 Cb 0.70 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.07 0.00 0.00 4.78 8.25 0.10 -5.10 115.22 123.32 3fa3 n HIS 168 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3fa3 n HIS 168 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 0.05 2.04 0.29 -1.41 0.00 0.10 -4.52 105.19 101.74 3fa3 n GLY 169 Ca 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 -0.32 -0.16 1.61 3.20 -1.93 -1.93 116.97 117.44 3fa3 h TYR 170 Ca 0.00 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3fa3 h TYR 170 Cb 0.00 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3fa3 h TYR 170 CO 0.00 -0.33 -0.30 0.93 -1.64 0.00 0.00 178.16 176.82 3fa3 h GLU 171 N 0.02 0.31 -0.21 1.82 4.39 -1.97 -2.66 114.58 116.28 3fa3 h GLU 171 Ca 0.40 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 3fa3 h GLU 171 Cb 0.66 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3fa3 h GLU 171 CO -0.79 0.59 -0.04 1.49 -1.16 0.00 0.00 179.01 179.10 3fa3 h GLU 172 N 0.28 0.40 -0.52 2.33 4.57 -1.59 -2.91 114.58 117.13 3fa3 h GLU 172 Ca 0.04 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.17 3fa3 h GLU 172 Cb 0.68 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.17 3fa3 h GLU 172 CO 0.05 0.63 0.10 0.77 -1.18 0.00 0.00 179.01 179.38 3fa3 h SER 173 N 0.13 -0.02 0.48 1.04 0.02 -1.29 0.69 113.55 114.61 3fa3 h SER 173 Ca 0.06 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3fa3 h SER 173 Cb 0.47 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3fa3 h SER 173 CO 0.02 0.02 -0.37 0.58 -1.14 0.00 0.00 176.83 175.93 3fa3 h VAL 174 N 0.23 0.24 -0.50 2.27 2.07 -1.45 0.23 116.25 119.34 3fa3 h VAL 174 Ca 0.27 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.89 3fa3 h VAL 174 Cb 0.37 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 3fa3 h VAL 174 CO -0.35 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.06 3fa3 h ALA 175 N -0.47 0.24 -0.88 1.67 0.00 -1.17 0.70 119.26 119.34 3fa3 h ALA 175 Ca -0.05 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.18 3fa3 h ALA 175 Cb 0.72 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3fa3 h ALA 175 CO 0.00 -0.50 0.50 0.00 0.00 0.00 0.00 179.25 179.25 3fa3 h ARG 176 N -0.06 0.73 0.00 0.00 3.08 -0.45 0.56 114.38 118.24 3fa3 h ARG 176 Ca 0.24 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3fa3 h ARG 176 Cb 0.43 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3fa3 h ARG 176 CO -0.55 0.48 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.28 3fa3 h LEU 177 N 0.75 0.00 -0.20 3.04 3.38 0.35 -1.90 115.31 120.73 3fa3 h LEU 177 Ca 0.46 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.21 3fa3 h LEU 177 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fa3 h LEU 177 CO -0.31 0.49 -0.84 0.03 0.09 0.00 0.00 178.44 177.89 3fa3 h ARG 178 N 0.00 0.61 -0.46 1.13 3.08 0.47 0.04 114.38 119.24 3fa3 h ARG 178 Ca -0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3fa3 h ARG 178 Cb 0.89 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3fa3 h ARG 178 CO 0.06 1.16 0.30 0.00 -1.07 0.00 0.00 179.97 180.43 3fa3 h ALA 179 N 0.67 0.58 0.38 0.04 0.00 -0.09 0.29 119.26 121.12 3fa3 h ALA 179 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 179 Cb 1.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3fa3 h ALA 179 CO 0.16 0.04 -0.48 0.00 0.00 0.00 0.00 179.25 178.97 3fa3 h ALA 180 N 1.16 -1.09 -0.68 0.00 0.00 -1.28 -1.31 119.26 116.07 3fa3 h ALA 180 Ca 0.17 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3fa3 h ALA 180 Cb -0.06 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 3fa3 h ALA 180 CO -0.04 -1.14 0.20 -0.09 0.00 0.00 0.00 179.25 178.18 3fa3 h ARG 181 N -0.89 0.32 0.00 0.00 2.43 -0.33 0.33 114.38 116.24 3fa3 h ARG 181 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3fa3 h ARG 181 Cb 0.79 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3fa3 h ARG 181 CO -0.11 0.21 0.00 -0.25 -1.51 0.00 0.00 179.97 178.31 3fa3 n ASP 182 N -5.09 0.00 -1.40 -3.80 9.92 0.95 -1.09 116.55 116.04 3fa3 n ASP 182 Ca 0.12 0.13 0.08 0.00 -0.53 0.00 0.00 54.79 54.59 3fa3 n ASP 182 Cb 0.38 -0.33 0.33 0.00 -0.64 0.00 0.00 41.12 40.85 3fa3 n ASP 182 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fa3 n ALA 183 N -1.33 3.21 -2.45 2.24 0.00 0.11 -4.96 120.51 117.34 3fa3 n ALA 183 Ca 0.08 -1.85 -0.02 0.00 0.00 0.00 0.00 53.44 51.64 3fa3 n ALA 183 Cb 0.16 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 0.48 0.64 3.80 0.00 0.00 -0.25 -4.40 105.19 105.46 3fa3 n GLY 184 Ca 0.24 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.76 3.44 0.00 4.61 0.00 -1.17 -4.90 121.76 120.98 3fa3 s ALA 185 Ca 0.04 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 3fa3 s ALA 185 Cb -0.02 -2.88 -0.23 0.00 0.00 0.00 0.00 23.12 20.00 3fa3 s ALA 185 CO 0.06 0.31 1.11 -0.44 0.00 0.00 0.00 175.76 176.80 3fa3 h ASP 186 N 3.92 0.49 -4.21 0.00 3.32 -1.08 -3.44 116.42 115.42 3fa3 h ASP 186 Ca -0.48 -0.74 -0.46 0.00 0.02 0.00 0.00 57.03 55.37 3fa3 h ASP 186 Cb 1.20 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 40.32 3fa3 h ASP 186 CO 0.65 1.17 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.85 3fa3 s VAL 187 N -3.27 1.05 0.18 -1.35 1.01 -1.06 -4.39 120.40 112.58 3fa3 s VAL 187 Ca -0.14 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3fa3 s VAL 187 Cb 0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 3fa3 s VAL 187 CO 0.81 0.22 0.50 -0.83 0.00 0.00 0.00 175.10 175.80 3fa3 s GLY 188 N -0.51 2.31 -0.29 4.51 0.00 0.17 -1.14 107.32 112.37 3fa3 s GLY 188 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 3fa3 s GLY 188 CO -0.00 -0.14 0.26 -0.12 0.00 0.00 0.00 173.10 173.10 3fa3 s PHE 189 N -1.68 -0.29 -0.63 1.90 5.99 -0.61 -2.14 117.98 120.51 3fa3 s PHE 189 Ca 0.43 -0.35 -0.21 0.00 0.00 0.00 0.00 56.93 56.80 3fa3 s PHE 189 Cb -0.12 -0.55 0.08 0.00 0.00 0.00 0.00 43.02 42.42 3fa3 s PHE 189 CO 0.21 -0.90 0.87 -1.17 -0.00 0.00 0.00 175.22 174.23 3fa3 s LEU 190 N 2.27 4.68 -0.01 6.12 0.20 -1.26 -0.14 118.68 130.54 3fa3 s LEU 190 Ca 0.10 -1.08 -0.30 0.00 0.69 0.00 0.00 54.13 53.53 3fa3 s LEU 190 Cb -0.14 -2.41 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 3fa3 s LEU 190 CO -0.33 -1.31 1.21 -0.70 -0.29 0.00 0.00 176.35 174.93 3fa3 s GLU 191 N 3.61 4.38 -0.39 1.98 2.56 -0.83 -3.75 118.70 126.26 3fa3 s GLU 191 Ca 0.19 1.73 -0.02 0.00 0.00 0.00 0.00 54.97 56.87 3fa3 s GLU 191 Cb -0.19 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.46 3fa3 s GLU 191 CO 0.10 -0.39 0.34 0.41 -0.56 0.00 0.00 175.26 175.15 3fa3 n GLY 192 N 3.33 0.40 3.56 -1.50 0.00 -1.26 -4.72 105.19 105.00 3fa3 n GLY 192 Ca 0.10 -0.37 -0.53 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.78 0.35 0.15 -0.61 2.08 -1.25 -4.74 119.36 112.57 3fa3 n ILE 193 Ca -0.03 -0.09 0.12 0.00 0.56 0.00 0.00 62.75 63.31 3fa3 n ILE 193 Cb 0.53 -0.59 0.01 0.00 -0.75 0.00 0.00 39.64 38.84 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3fa3 n THR 194 N 1.87 0.58 -3.86 1.39 -2.24 -1.26 -3.68 114.28 107.09 3fa3 n THR 194 Ca 0.18 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3fa3 n THR 194 Cb 0.18 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 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 -5.22 -0.18 0.42 3.42 1.04 -1.26 -4.69 113.70 107.23 3fa3 s SER 195 Ca -0.00 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 55.86 3fa3 s SER 195 Cb 0.10 0.59 0.91 0.00 0.10 0.00 0.00 66.02 67.72 3fa3 s SER 195 CO 0.79 -1.10 2.00 0.03 0.98 0.00 0.00 173.24 175.94 3fa3 h ARG 196 N 2.23 0.25 0.41 4.02 3.08 -1.96 -0.44 114.38 121.96 3fa3 h ARG 196 Ca -0.27 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 3fa3 h ARG 196 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3fa3 h ARG 196 CO 0.36 0.29 -0.20 1.49 -1.07 0.00 0.00 179.97 180.84 3fa3 h GLU 197 N 0.25 -0.53 -0.65 0.04 4.81 -2.00 -2.42 114.58 114.09 3fa3 h GLU 197 Ca 0.06 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3fa3 h GLU 197 Cb 0.19 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3fa3 h GLU 197 CO 0.00 -0.32 0.34 1.98 -0.73 0.00 0.00 179.01 180.29 3fa3 h MET 198 N -0.60 0.61 -0.19 1.92 4.05 -1.88 -0.96 114.93 117.88 3fa3 h MET 198 Ca -0.06 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3fa3 h MET 198 Cb 0.45 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.04 3fa3 h MET 198 CO 0.09 0.41 -0.31 0.00 0.23 0.00 0.00 176.91 177.33 3fa3 h ALA 199 N 1.35 -0.31 -0.29 0.39 0.00 -1.03 0.24 119.26 119.61 3fa3 h ALA 199 Ca 0.30 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3fa3 h ALA 199 Cb 0.21 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3fa3 h ALA 199 CO -0.20 -0.77 -0.02 0.00 0.00 0.00 0.00 179.25 178.27 3fa3 h ARG 200 N -0.35 0.44 -0.61 0.00 3.08 -1.25 -2.82 114.38 112.88 3fa3 h ARG 200 Ca 0.11 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3fa3 h ARG 200 Cb 0.53 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3fa3 h ARG 200 CO -0.39 0.49 0.21 1.96 -1.07 0.00 0.00 179.97 181.17 3fa3 h GLN 201 N 0.43 0.93 -0.10 0.04 1.08 -0.20 -2.14 115.11 115.14 3fa3 h GLN 201 Ca 0.09 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3fa3 h GLN 201 Cb 0.31 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3fa3 h GLN 201 CO 0.01 0.81 -0.04 -0.24 -0.95 0.00 0.00 178.83 178.41 3fa3 h VAL 202 N 0.85 1.31 -0.80 -0.54 3.04 -0.41 -0.41 116.25 119.30 3fa3 h VAL 202 Ca 0.20 -1.05 0.07 0.00 -1.01 0.00 0.00 66.70 64.91 3fa3 h VAL 202 Cb 0.25 1.80 -0.05 0.00 -2.01 0.00 0.00 31.29 31.28 3fa3 h VAL 202 CO -0.01 0.30 0.52 0.40 -1.01 0.00 0.00 177.57 177.77 3fa3 h ILE 203 N -0.14 1.03 0.00 3.17 2.04 -1.44 -0.17 117.51 122.00 3fa3 h ILE 203 Ca 0.02 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 3fa3 h ILE 203 Cb 0.49 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3fa3 h ILE 203 CO 0.01 0.16 -0.63 -0.61 0.00 0.00 0.00 178.15 177.08 3fa3 h GLN 204 N 0.86 0.00 -0.00 2.37 5.75 -1.18 0.77 115.11 123.68 3fa3 h GLN 204 Ca 0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 3fa3 h GLN 204 Cb 0.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3fa3 h GLN 204 CO -0.12 0.60 -0.54 -0.25 -2.65 0.00 0.00 178.83 175.86 3fa3 n ASP 205 N -3.24 0.58 -0.60 -0.69 9.92 -0.18 -3.57 116.55 118.77 3fa3 n ASP 205 Ca 0.01 -0.36 0.04 0.00 -0.53 0.00 0.00 54.79 53.95 3fa3 n ASP 205 Cb 0.78 0.33 0.07 0.00 -0.64 0.00 0.00 41.12 41.66 3fa3 n ASP 205 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3fa3 n LEU 206 N -1.46 1.24 -4.55 0.64 4.77 -0.16 -5.07 117.00 112.42 3fa3 n LEU 206 Ca 0.06 -2.20 -0.46 0.00 -0.03 0.00 0.00 56.01 53.37 3fa3 n LEU 206 Cb 0.34 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3fa3 n LEU 206 CO 0.35 0.60 0.47 0.00 -1.33 0.00 0.00 177.39 177.48 3fa3 n ALA 207 N -0.46 -0.90 0.00 -1.18 0.00 0.27 -1.85 120.51 116.39 3fa3 n ALA 207 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3fa3 n ALA 207 Cb 0.77 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.51 2.97 3.73 0.00 0.00 -1.26 -5.02 105.19 107.13 3fa3 n GLY 208 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.72 3.48 0.56 1.61 -0.00 -0.77 -5.08 118.94 116.02 3fa3 s TRP 209 Ca 0.00 0.63 -0.21 0.00 -0.00 0.00 0.00 56.10 56.52 3fa3 s TRP 209 Cb 0.00 -2.35 -0.04 0.00 -0.00 0.00 0.00 33.47 31.08 3fa3 s TRP 209 CO 0.00 0.26 1.32 -2.14 -0.00 0.00 0.00 176.95 176.39 3fa3 s PRO 210 N 0.39 3.10 0.27 5.86 0.02 -1.26 -4.83 135.00 138.54 3fa3 s PRO 210 Ca 0.17 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.34 3fa3 s PRO 210 Cb -0.13 -2.18 -0.05 0.00 0.02 0.00 0.00 34.50 32.16 3fa3 s PRO 210 CO 0.05 -1.19 0.12 -0.51 -0.33 0.00 0.00 177.00 175.13 3fa3 s LEU 211 N -3.64 1.60 -0.05 -5.54 1.02 -1.26 -0.65 118.68 110.16 3fa3 s LEU 211 Ca 0.73 -1.43 0.01 0.00 0.02 0.00 0.00 54.13 53.45 3fa3 s LEU 211 Cb -0.38 0.10 0.02 0.00 0.02 0.00 0.00 46.19 45.95 3fa3 s LEU 211 CO 0.44 -0.78 -0.04 -0.22 0.02 0.00 0.00 176.35 175.77 3fa3 s LEU 212 N -3.32 1.25 -0.23 1.79 0.20 -0.91 -0.76 118.68 116.70 3fa3 s LEU 212 Ca 0.37 -0.12 -0.08 0.00 0.69 0.00 0.00 54.13 54.99 3fa3 s LEU 212 Cb 0.07 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.35 3fa3 s LEU 212 CO 0.14 -0.07 0.08 -0.22 -0.29 0.00 0.00 176.35 175.99 3fa3 s LEU 213 N 1.03 3.62 -0.39 -0.68 2.96 0.14 -4.52 118.68 120.84 3fa3 s LEU 213 Ca -0.09 -0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 3fa3 s LEU 213 Cb -0.14 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3fa3 s LEU 213 CO -0.01 0.04 1.04 0.21 -1.32 0.00 0.00 176.35 176.31 3fa3 s ASN 214 N 1.20 6.75 -0.83 3.68 2.47 -1.26 -0.21 114.94 126.74 3fa3 s ASN 214 Ca 0.05 0.70 0.01 0.00 0.42 0.00 0.00 52.86 54.04 3fa3 s ASN 214 Cb -0.14 -2.52 0.21 0.00 -1.45 0.00 0.00 41.25 37.35 3fa3 s ASN 214 CO 0.04 -0.99 0.74 0.80 -3.72 0.00 0.00 177.10 173.97 3fa3 n MET 215 N 7.14 2.50 -3.33 0.43 0.00 0.31 -4.87 117.12 119.30 3fa3 n MET 215 Ca 0.10 -4.51 -0.40 0.00 -0.00 0.00 0.00 57.70 52.90 3fa3 n MET 215 Cb 0.48 -2.37 -0.09 0.00 0.00 0.00 0.00 33.22 31.25 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 -1.61 5.13 0.55 1.12 1.01 -1.26 -4.39 120.40 120.95 3fa3 s VAL 216 Ca 0.28 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3fa3 s VAL 216 Cb -0.03 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3fa3 s VAL 216 CO -0.12 0.09 1.06 -1.61 0.00 0.00 0.00 175.10 174.52 3fa3 s GLU 217 N 2.17 3.48 -0.55 2.72 2.02 -1.26 -4.32 118.70 122.95 3fa3 s GLU 217 Ca 0.17 1.29 -0.01 0.00 0.02 0.00 0.00 54.97 56.44 3fa3 s GLU 217 Cb -0.16 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 3fa3 s GLU 217 CO 0.10 -0.69 0.51 0.72 0.02 0.00 0.00 175.26 175.92 3fa3 n HIS 218 N -1.61 -1.94 -3.08 1.61 8.25 -1.26 -5.04 115.22 112.15 3fa3 n HIS 218 Ca 0.09 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 3fa3 n HIS 218 Cb 0.53 -3.35 0.00 0.00 1.12 0.00 0.00 29.99 28.28 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 -1.47 1.54 0.34 -1.41 0.00 -1.26 -5.00 105.19 97.94 3fa3 n GLY 219 Ca -0.01 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 2.00 1.77 -2.99 4.61 0.00 -1.90 -3.39 119.26 119.36 3fa3 h ALA 220 Ca 0.00 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3fa3 h ALA 220 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 3fa3 h ALA 220 CO 0.00 -0.75 -0.56 0.99 0.00 0.00 0.00 179.25 178.93 3fa3 s THR 221 N -4.07 4.92 0.70 0.00 2.01 -1.24 -4.18 115.64 113.78 3fa3 s THR 221 Ca -0.02 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 3fa3 s THR 221 Cb 0.05 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.27 3fa3 s THR 221 CO 0.15 0.32 1.15 -2.16 -0.69 0.00 0.00 174.62 173.39 3fa3 s PRO 222 N 1.44 2.44 -0.52 4.92 0.04 -1.26 -4.42 135.00 137.65 3fa3 s PRO 222 Ca 0.06 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 3fa3 s PRO 222 Cb -0.15 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 3fa3 s PRO 222 CO 0.06 -1.56 1.61 -1.12 0.04 0.00 0.00 177.00 176.03 3fa3 s SER 223 N -2.34 5.87 -0.21 6.66 0.01 -1.26 -5.00 113.70 117.44 3fa3 s SER 223 Ca 0.70 0.54 -0.06 0.00 1.31 0.00 0.00 55.95 58.45 3fa3 s SER 223 Cb -0.24 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 3fa3 s SER 223 CO 0.44 -1.86 0.02 -0.63 0.41 0.00 0.00 173.24 171.61 3fa3 s ILE 224 N 6.96 4.09 0.89 1.44 1.01 -1.26 -5.10 121.20 129.24 3fa3 s ILE 224 Ca 0.62 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 3fa3 s ILE 224 Cb -0.14 -2.86 0.13 0.00 0.01 0.00 0.00 42.46 39.60 3fa3 s ILE 224 CO 0.26 0.42 1.10 -0.94 0.00 0.00 0.00 174.94 175.78 3fa3 s SER 225 N 1.04 3.35 0.08 3.58 1.04 -1.26 -4.89 113.70 116.63 3fa3 s SER 225 Ca 0.02 1.84 -0.36 0.00 0.48 0.00 0.00 55.95 57.94 3fa3 s SER 225 Cb -0.14 -2.43 -0.18 0.00 0.10 0.00 0.00 66.02 63.36 3fa3 s SER 225 CO 0.02 -2.77 1.58 0.00 0.98 0.00 0.00 173.24 173.05 3fa3 h ALA 226 N -1.64 -1.13 -0.06 5.32 0.00 -2.00 -2.84 119.26 116.91 3fa3 h ALA 226 Ca -0.47 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.25 3fa3 h ALA 226 Cb 1.27 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3fa3 h ALA 226 CO 0.49 -1.16 0.18 0.00 0.00 0.00 0.00 179.25 178.76 3fa3 h ALA 227 N -0.91 1.36 0.22 0.00 0.00 -2.00 0.20 119.26 118.14 3fa3 h ALA 227 Ca -0.08 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 3fa3 h ALA 227 Cb 0.88 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.71 3fa3 h ALA 227 CO 0.05 -0.21 -1.37 1.49 0.00 0.00 0.00 179.25 179.21 3fa3 h GLU 228 N 0.00 0.53 -0.91 0.00 4.81 -1.90 -3.22 114.58 113.89 3fa3 h GLU 228 Ca 0.03 -0.87 -0.01 0.00 -0.13 0.00 0.00 59.36 58.37 3fa3 h GLU 228 Cb 0.39 0.32 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3fa3 h GLU 228 CO -0.00 1.41 0.51 0.00 -0.73 0.00 0.00 179.01 180.20 3fa3 h ALA 229 N 0.16 1.18 0.05 2.92 0.00 -0.38 -0.59 119.26 122.61 3fa3 h ALA 229 Ca -0.23 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3fa3 h ALA 229 Cb 2.07 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 3fa3 h ALA 229 CO 0.26 0.67 -0.39 -0.22 0.00 0.00 0.00 179.25 179.56 3fa3 h LYS 230 N 1.27 -0.51 0.00 0.00 3.64 -1.51 -1.86 116.57 117.60 3fa3 h LYS 230 Ca 0.32 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3fa3 h LYS 230 Cb 0.01 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3fa3 h LYS 230 CO -0.05 -0.34 -0.03 -0.85 -2.27 0.00 0.00 179.45 175.90 3fa3 n GLU 231 N -4.68 0.19 -0.04 1.90 -0.00 -1.13 -1.82 120.64 115.06 3fa3 n GLU 231 Ca -0.06 0.15 -0.10 0.00 -0.00 0.00 0.00 57.16 57.15 3fa3 n GLU 231 Cb 0.30 -1.71 -0.03 0.00 -0.00 0.00 0.00 31.44 30.00 3fa3 n GLU 231 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3fa3 h MET 232 N 0.00 0.19 0.00 3.44 2.86 -0.73 -3.47 114.93 117.22 3fa3 h MET 232 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fa3 h MET 232 Cb 0.67 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3fa3 h MET 232 CO 0.00 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.51 3fa3 n GLY 233 N -1.15 0.28 3.64 8.32 0.00 -0.76 -4.99 105.19 110.52 3fa3 n GLY 233 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.72 1.80 0.00 1.61 0.40 -0.86 -4.70 117.98 115.50 3fa3 s PHE 234 Ca 0.00 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 3fa3 s PHE 234 Cb 0.00 -3.19 0.00 0.00 0.51 0.00 0.00 43.02 40.34 3fa3 s PHE 234 CO 0.00 -2.96 0.00 0.54 0.70 0.00 0.00 175.22 173.50 3fa3 n ARG 235 N -4.30 2.32 -4.15 0.44 5.12 0.06 -4.46 116.66 111.70 3fa3 n ARG 235 Ca 0.07 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 3fa3 n ARG 235 Cb 0.54 -0.84 -0.12 0.00 -1.16 0.00 0.00 32.46 30.88 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 -1.51 0.72 -0.05 0.55 1.01 -0.61 -1.23 121.20 120.07 3fa3 s ILE 236 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3fa3 s ILE 236 Cb 0.00 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3fa3 s ILE 236 CO 0.00 -0.21 -0.21 -0.51 0.00 0.00 0.00 174.94 174.01 3fa3 s ILE 237 N -1.07 1.72 0.10 2.92 2.07 -0.40 0.25 121.20 126.79 3fa3 s ILE 237 Ca -0.05 -0.87 0.09 0.00 -1.41 0.00 0.00 60.65 58.41 3fa3 s ILE 237 Cb -0.08 -1.47 -0.04 0.00 0.13 0.00 0.00 42.46 41.00 3fa3 s ILE 237 CO 0.01 0.49 -0.21 0.27 -1.91 0.00 0.00 174.94 173.59 3fa3 s ILE 238 N 0.01 2.65 -0.65 2.00 -4.36 0.71 -2.40 121.20 119.17 3fa3 s ILE 238 Ca -0.06 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 3fa3 s ILE 238 Cb -0.13 -2.17 0.32 0.00 1.25 0.00 0.00 42.46 41.73 3fa3 s ILE 238 CO 0.03 0.18 1.02 0.49 0.24 0.00 0.00 174.94 176.91 3fa3 n PHE 239 N 1.08 3.84 -0.49 1.37 3.01 -1.21 -0.53 117.46 124.53 3fa3 n PHE 239 Ca -0.16 -3.84 0.42 0.00 1.01 0.00 0.00 57.45 54.87 3fa3 n PHE 239 Cb 0.53 -0.59 0.76 0.00 -0.01 0.00 0.00 39.48 40.16 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 3.33 0.03 -0.01 -1.08 0.11 -1.87 0.52 132.00 133.03 3fa3 h PRO 240 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fa3 h PRO 240 Cb 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3fa3 h PRO 240 CO 0.87 0.02 -0.50 0.34 -0.21 0.00 0.00 178.00 178.52 3fa3 n PHE 241 N -4.16 0.00 0.00 0.65 7.35 -1.26 -4.14 117.46 115.90 3fa3 n PHE 241 Ca 0.34 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 3fa3 n PHE 241 Cb 1.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 41.38 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3fa3 n ALA 242 N -0.14 0.00 -0.09 3.13 0.00 0.17 -2.50 120.51 121.08 3fa3 n ALA 242 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3fa3 n ALA 242 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 3fa3 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 243 N -3.98 1.64 -0.18 0.00 0.00 -1.22 -4.52 120.51 112.25 3fa3 n ALA 243 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 3fa3 n ALA 243 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.57 3fa3 n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa3 h LEU 244 N -0.02 0.86 0.00 0.00 4.07 -1.78 -1.23 115.31 117.22 3fa3 h LEU 244 Ca -0.38 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.28 3fa3 h LEU 244 Cb 1.59 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.09 3fa3 h LEU 244 CO -0.06 0.95 0.00 0.61 -1.08 0.00 0.00 178.44 178.86 3fa3 n GLY 245 N -0.41 -3.19 0.26 0.83 0.00 -1.04 -0.79 105.19 100.85 3fa3 n GLY 245 Ca 0.01 0.54 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 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 0.85 -0.99 1.61 0.11 -1.79 -2.24 132.00 129.55 3fa3 h PRO 246 Ca 0.00 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.16 3fa3 h PRO 246 Cb 0.00 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 30.84 3fa3 h PRO 246 CO 0.00 0.56 0.63 0.00 -0.21 0.00 0.00 178.00 178.98 3fa3 h ALA 247 N 1.24 1.46 0.04 -0.75 0.00 -0.96 0.11 119.26 120.40 3fa3 h ALA 247 Ca 0.24 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 247 Cb -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fa3 h ALA 247 CO -0.05 0.29 -1.06 0.28 0.00 0.00 0.00 179.25 178.71 3fa3 h VAL 248 N 1.04 1.35 -0.62 0.00 2.07 -0.76 -1.89 116.25 117.46 3fa3 h VAL 248 Ca 0.47 -2.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.51 3fa3 h VAL 248 Cb 0.38 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 3fa3 h VAL 248 CO -0.23 0.74 0.27 0.00 0.02 0.00 0.00 177.57 178.36 3fa3 h ALA 249 N 0.55 0.80 -0.05 1.67 0.00 -0.60 0.77 119.26 122.39 3fa3 h ALA 249 Ca -0.12 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 3fa3 h ALA 249 Cb 1.71 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.27 3fa3 h ALA 249 CO 0.19 0.40 -0.87 0.00 0.00 0.00 0.00 179.25 178.97 3fa3 h ALA 250 N 1.11 0.36 -0.07 0.00 0.00 -0.83 -1.91 119.26 117.92 3fa3 h ALA 250 Ca 0.21 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3fa3 h ALA 250 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fa3 h ALA 250 CO -0.02 0.75 -0.51 0.52 0.00 0.00 0.00 179.25 179.99 3fa3 h MET 251 N 0.35 0.18 0.79 0.00 2.86 -1.22 0.90 114.93 118.80 3fa3 h MET 251 Ca -0.07 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3fa3 h MET 251 Cb 1.50 0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.17 3fa3 h MET 251 CO 0.16 0.65 -0.38 -0.09 1.06 0.00 0.00 176.91 178.31 3fa3 h ARG 252 N 0.14 -1.02 -0.69 1.72 2.43 -0.53 -1.23 114.38 115.21 3fa3 h ARG 252 Ca 0.00 0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3fa3 h ARG 252 Cb 0.95 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3fa3 h ARG 252 CO 0.08 -0.67 0.23 1.05 -1.51 0.00 0.00 179.97 179.14 3fa3 h GLU 253 N -1.17 1.06 -0.62 0.20 4.11 -1.32 -2.42 114.58 114.41 3fa3 h GLU 253 Ca -0.11 -0.22 0.12 0.00 0.07 0.00 0.00 59.36 59.22 3fa3 h GLU 253 Cb 0.83 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 3fa3 h GLU 253 CO 0.18 0.91 0.10 0.00 0.07 0.00 0.00 179.01 180.27 3fa3 h ALA 254 N 1.10 0.72 0.02 1.06 0.00 -0.82 0.79 119.26 122.13 3fa3 h ALA 254 Ca 0.22 0.15 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 3fa3 h ALA 254 Cb 0.28 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3fa3 h ALA 254 CO -0.01 -0.34 -0.98 0.52 0.00 0.00 0.00 179.25 178.44 3fa3 h MET 255 N 0.22 0.09 -0.37 0.00 2.86 -0.99 -1.73 114.93 115.00 3fa3 h MET 255 Ca 0.33 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3fa3 h MET 255 Cb 0.52 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3fa3 h MET 255 CO -0.45 0.99 -0.10 0.93 1.06 0.00 0.00 176.91 179.33 3fa3 h GLU 256 N 0.03 0.73 -0.34 1.72 5.08 -1.13 -1.45 114.58 119.22 3fa3 h GLU 256 Ca -0.04 -0.29 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3fa3 h GLU 256 Cb 1.69 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.84 3fa3 h GLU 256 CO 0.14 0.88 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.76 3fa3 h LYS 257 N 0.53 0.03 0.59 2.33 3.64 -0.73 0.75 116.57 123.70 3fa3 h LYS 257 Ca 0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3fa3 h LYS 257 Cb 0.62 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3fa3 h LYS 257 CO 0.04 0.02 -0.33 1.25 -2.27 0.00 0.00 179.45 178.16 3fa3 h LEU 258 N 0.03 -0.80 -0.88 5.20 5.85 -1.13 0.85 115.31 124.42 3fa3 h LEU 258 Ca 0.16 0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.14 3fa3 h LEU 258 Cb 0.24 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.34 3fa3 h LEU 258 CO -0.33 -0.53 -0.04 0.50 -0.34 0.00 0.00 178.44 177.71 3fa3 h LYS 259 N -0.85 0.05 -0.05 1.25 1.63 -1.05 0.89 116.57 118.43 3fa3 h LYS 259 Ca -0.07 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 3fa3 h LYS 259 Cb 0.68 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 3fa3 h LYS 259 CO 0.10 0.03 -0.10 -0.09 -3.45 0.00 0.00 179.45 175.94 3fa3 h ARG 260 N 0.05 0.16 0.00 1.90 2.43 -0.24 -3.38 114.38 115.30 3fa3 h ARG 260 Ca 0.49 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.41 3fa3 h ARG 260 Cb 0.90 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3fa3 h ARG 260 CO -0.82 0.68 -1.23 -0.44 -1.51 0.00 0.00 179.97 176.65 3fa3 h ASP 261 N -0.34 0.00 0.00 -3.80 3.45 0.18 -3.48 116.42 112.43 3fa3 h ASP 261 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fa3 h ASP 261 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3fa3 h ASP 261 CO 0.02 0.52 0.00 0.61 -1.57 0.00 0.00 179.24 178.82 3fa3 n GLY 262 N 1.35 0.67 3.64 2.75 0.00 0.30 -4.97 105.19 108.93 3fa3 n GLY 262 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.57 0.00 0.28 -0.61 1.10 -1.26 -5.07 121.20 113.07 3fa3 s ILE 263 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.18 3fa3 s ILE 263 Cb 0.00 -1.00 0.05 0.00 0.15 0.00 0.00 42.46 41.66 3fa3 s ILE 263 CO 0.00 0.00 1.70 -0.65 -2.11 0.00 0.00 174.94 173.88 3fa3 h PRO 264 N 4.61 0.40 -4.96 3.50 0.11 -1.93 -3.42 132.00 130.31 3fa3 h PRO 264 Ca -0.28 -0.17 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 3fa3 h PRO 264 Cb 1.17 -0.02 0.12 0.00 0.11 0.00 0.00 31.00 32.39 3fa3 h PRO 264 CO 0.10 0.68 -0.58 0.41 -0.21 0.00 0.00 178.00 178.39 3fa3 n GLY 265 N -0.28 -0.25 3.76 -0.55 0.00 -1.26 -4.80 105.19 101.80 3fa3 n GLY 265 Ca -0.01 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.94 4.04 0.23 0.99 1.43 -1.26 -4.96 118.68 113.21 3fa3 s LEU 266 Ca 0.31 2.74 -0.30 0.00 -1.03 0.00 0.00 54.13 55.85 3fa3 s LEU 266 Cb -0.14 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 3fa3 s LEU 266 CO 0.60 -1.20 1.39 -0.62 0.23 0.00 0.00 176.35 176.75 3fa3 s ASP 267 N -0.80 6.76 0.59 2.29 -1.08 -1.26 -4.88 116.67 118.28 3fa3 s ASP 267 Ca 0.64 2.55 0.40 0.00 -0.52 0.00 0.00 52.55 55.62 3fa3 s ASP 267 Cb -0.40 -2.62 2.11 0.00 -1.46 0.00 0.00 42.92 40.56 3fa3 s ASP 267 CO 0.49 -0.63 2.21 0.07 0.52 0.00 0.00 175.17 177.83 3fa3 h LYS 268 N 5.19 0.00 0.00 4.34 2.10 -2.04 0.31 116.57 126.48 3fa3 h LYS 268 Ca -0.45 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.15 3fa3 h LYS 268 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 3fa3 h LYS 268 CO 0.78 0.00 -0.22 1.49 -2.00 0.00 0.00 179.45 179.50 3fa3 h GLU 269 N 0.00 0.00 -1.99 0.07 4.81 -2.04 -3.33 114.58 112.10 3fa3 h GLU 269 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 3fa3 h GLU 269 Cb 0.05 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.35 3fa3 h GLU 269 CO 0.00 0.22 -0.23 -0.12 -0.73 0.00 0.00 179.01 178.15 3fa3 n MET 270 N -3.54 1.96 -2.21 1.92 1.56 0.11 -4.70 117.12 112.22 3fa3 n MET 270 Ca -0.01 -1.10 -0.36 0.00 -0.27 0.00 0.00 57.70 55.96 3fa3 n MET 270 Cb 0.37 -1.92 0.00 0.00 2.15 0.00 0.00 33.22 33.83 3fa3 n MET 270 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3fa3 s THR 271 N 0.40 3.04 0.27 1.12 -1.32 -1.25 -4.86 115.64 113.03 3fa3 s THR 271 Ca 0.59 0.70 -0.01 0.00 -1.21 0.00 0.00 61.69 61.76 3fa3 s THR 271 Cb 0.30 -3.31 0.26 0.00 -1.51 0.00 0.00 72.50 68.23 3fa3 s THR 271 CO -0.03 -0.09 1.70 -0.65 -2.21 0.00 0.00 174.62 173.34 3fa3 h PRO 272 N 1.49 0.37 -0.05 7.08 0.11 -1.97 -0.63 132.00 138.40 3fa3 h PRO 272 Ca -0.50 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3fa3 h PRO 272 Cb 1.26 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3fa3 h PRO 272 CO 0.58 0.25 -0.27 1.96 -0.21 0.00 0.00 178.00 180.30 3fa3 h GLN 273 N 0.38 -0.37 -0.49 1.05 7.50 -1.96 0.04 115.11 121.27 3fa3 h GLN 273 Ca 0.48 0.03 0.07 0.00 0.50 0.00 0.00 58.65 59.73 3fa3 h GLN 273 Cb 0.84 0.08 -0.06 0.00 0.05 0.00 0.00 27.48 28.40 3fa3 h GLN 273 CO -0.49 -0.25 0.16 1.98 -1.50 0.00 0.00 178.83 178.74 3fa3 h MET 274 N -0.38 0.32 -0.53 1.46 4.05 -1.45 -1.54 114.93 116.87 3fa3 h MET 274 Ca 0.08 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3fa3 h MET 274 Cb 0.50 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3fa3 h MET 274 CO -0.27 0.21 0.01 -0.07 0.23 0.00 0.00 176.91 177.02 3fa3 h LEU 275 N 0.33 0.85 -1.42 3.39 4.07 -0.80 -2.37 115.31 119.37 3fa3 h LEU 275 Ca 0.24 -0.22 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 3fa3 h LEU 275 Cb 0.26 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3fa3 h LEU 275 CO -0.25 0.91 -0.29 -0.26 -1.08 0.00 0.00 178.44 177.47 3fa3 h PHE 276 N 0.82 0.00 0.00 1.13 0.05 -0.72 -2.92 116.94 115.30 3fa3 h PHE 276 Ca 0.16 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.90 3fa3 h PHE 276 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 3fa3 h PHE 276 CO 0.03 0.29 -0.23 0.00 -0.18 0.00 0.00 178.31 178.22 3fa3 h ARG 277 N 0.00 0.00 0.00 1.51 3.08 -0.76 0.39 114.38 118.60 3fa3 h ARG 277 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3fa3 h ARG 277 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3fa3 h ARG 277 CO 0.04 0.23 -0.19 0.28 -1.07 0.00 0.00 179.97 179.26 3fa3 h VAL 278 N 0.00 0.67 -0.39 2.04 2.07 -1.31 -2.93 116.25 116.40 3fa3 h VAL 278 Ca -0.00 -0.81 -0.20 0.00 0.82 0.00 0.00 66.70 66.51 3fa3 h VAL 278 Cb 0.79 1.51 -0.12 0.00 -1.52 0.00 0.00 31.29 31.96 3fa3 h VAL 278 CO 0.03 0.18 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 3fa3 n GLY 280 N -1.11 0.50 0.23 0.00 0.00 -0.95 -4.92 105.19 98.94 3fa3 n GLY 280 Ca 0.35 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 3fa3 n GLY 280 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fa3 n LEU 281 N -0.14 -0.46 0.50 0.99 7.94 -0.29 -1.22 117.00 124.32 3fa3 n LEU 281 Ca -0.01 1.03 -0.20 0.00 -1.11 0.00 0.00 56.01 55.72 3fa3 n LEU 281 Cb 0.07 -0.20 -0.10 0.00 0.53 0.00 0.00 43.42 43.72 3fa3 n LEU 281 CO 0.02 -0.90 0.55 0.44 -1.11 0.00 0.00 177.39 176.40 3fa3 h ASP 282 N 0.00 -1.06 -0.82 1.96 3.32 -1.86 0.39 116.42 118.35 3fa3 h ASP 282 Ca 0.17 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.42 3fa3 h ASP 282 Cb 0.31 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 3fa3 h ASP 282 CO -0.57 -0.75 0.54 -0.33 -1.72 0.00 0.00 179.24 176.41 3fa3 h GLU 283 N -1.27 0.41 -0.12 3.56 3.07 -1.82 0.44 114.58 118.84 3fa3 h GLU 283 Ca -0.13 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.64 3fa3 h GLU 283 Cb 0.96 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3fa3 h GLU 283 CO 0.21 0.27 -0.17 0.77 -1.40 0.00 0.00 179.01 178.69 3fa3 h SER 284 N 0.42 0.37 0.41 1.42 0.02 -1.08 -3.03 113.55 112.08 3fa3 h SER 284 Ca 0.41 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3fa3 h SER 284 Cb 0.97 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 3fa3 h SER 284 CO -0.14 0.81 -0.09 0.24 -1.14 0.00 0.00 176.83 176.51 3fa3 h MET 285 N -0.07 0.00 -0.03 3.45 2.86 0.12 -1.57 114.93 119.69 3fa3 h MET 285 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3fa3 h MET 285 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3fa3 h MET 285 CO 0.04 0.09 0.00 0.36 1.06 0.00 0.00 176.91 178.46 3fa3 n LYS 286 N -3.49 2.12 0.13 1.72 2.85 -0.43 -2.53 118.16 118.52 3fa3 n LYS 286 Ca -0.02 -1.62 -0.24 0.00 -1.05 0.00 0.00 58.31 55.38 3fa3 n LYS 286 Cb 0.23 -1.47 -0.16 0.00 -0.65 0.00 0.00 35.03 32.98 3fa3 n LYS 286 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3fa3 h VAL 287 N 3.93 1.25 0.47 0.58 2.07 -1.16 -3.20 116.25 120.19 3fa3 h VAL 287 Ca 0.00 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 3fa3 h VAL 287 Cb 0.84 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 3fa3 h VAL 287 CO 0.00 0.81 -0.22 -0.78 0.02 0.00 0.00 177.57 177.39 3fa3 h ASP 288 N 0.09 -0.53 0.03 0.57 1.82 -1.53 -2.95 116.42 113.91 3fa3 h ASP 288 Ca -0.26 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.39 3fa3 h ASP 288 Cb 2.11 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 42.26 3fa3 h ASP 288 CO 0.25 -0.22 -0.00 0.00 -1.61 0.00 0.00 179.24 177.66 3fa3 h ALA 289 N -1.39 1.26 0.00 -0.78 0.00 -1.63 0.23 119.26 116.95 3fa3 h ALA 289 Ca -0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 289 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fa3 h ALA 289 CO 0.11 0.01 -0.40 1.96 0.00 0.00 0.00 179.25 180.92 3fa3 h GLN 290 N 0.00 0.00 -0.01 0.00 4.20 -1.63 -2.99 115.11 114.68 3fa3 h GLN 290 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fa3 h GLN 290 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3fa3 h GLN 290 CO 0.00 0.29 -0.08 0.00 -0.67 0.00 0.00 178.83 178.37 3fa3 n ALA 291 N -2.19 2.74 -0.42 3.87 0.00 -0.31 -4.90 120.51 119.30 3fa3 n ALA 291 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3fa3 n ALA 291 Cb 0.66 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.21 1.57 3.87 0.00 0.00 -0.97 -5.09 105.19 105.78 3fa3 n GLY 292 Ca 0.17 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.22 2.05 -0.31 -0.02 0.00 0.65 -4.96 107.32 102.52 3fa3 s GLY 293 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 44.72 44.63 3fa3 s GLY 293 CO 0.00 0.02 1.18 0.00 0.00 0.00 0.00 173.10 174.29 3fa3 n ALA 294 N -1.00 4.91 -0.04 3.20 0.00 -1.26 -4.04 120.51 122.28 3fa3 n ALA 294 Ca 0.02 -3.80 -0.19 0.00 0.00 0.00 0.00 53.44 49.47 3fa3 n ALA 294 Cb 0.54 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 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 2.25 0.12 -1.78 0.00 0.00 -1.95 -3.37 119.26 114.53 3fa3 h ALA 295 Ca 0.34 -0.91 -0.70 0.00 0.00 0.00 0.00 54.91 53.64 3fa3 h ALA 295 Cb 1.46 0.37 -0.35 0.00 0.00 0.00 0.00 17.79 19.27 3fa3 h ALA 295 CO 0.74 0.51 0.19 1.19 0.00 0.00 0.00 179.25 181.88 3fa3 n PHE 296 N -4.27 3.42 -2.76 0.00 3.01 -1.26 -5.04 117.46 110.56 3fa3 n PHE 296 Ca -0.21 -3.29 -0.41 0.00 1.01 0.00 0.00 57.45 54.55 3fa3 n PHE 296 Cb 0.72 -0.84 -0.04 0.00 -0.01 0.00 0.00 39.48 39.31 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3fa3 s ASP 297 N -2.42 7.42 -1.39 4.37 1.11 -1.26 -2.12 116.67 122.38 3fa3 s ASP 297 Ca 0.44 1.70 -0.09 0.00 0.18 0.00 0.00 52.55 54.79 3fa3 s ASP 297 Cb 0.23 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.67 3fa3 s ASP 297 CO -0.13 -0.11 0.35 0.61 1.18 0.00 0.00 175.17 177.07 3fa3 n GLY 298 N 2.46 -0.38 1.22 0.21 0.00 -1.26 -4.87 105.19 102.58 3fa3 n GLY 298 Ca 0.03 0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.19 -2.17 0.04 -0.02 0.00 -0.90 -4.60 105.19 95.35 3fa3 n GLY 299 Ca -0.26 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.89 0.01 -2.89 1.61 0.31 -1.26 -4.97 118.33 107.25 3fa3 n VAL 300 Ca -0.01 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.40 3fa3 n VAL 300 Cb 0.56 1.02 -0.04 0.00 -0.91 0.00 0.00 33.84 34.47 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3fa3 s ASP 301 N -0.10 6.91 0.00 4.52 1.01 -1.26 -5.05 116.67 122.70 3fa3 s ASP 301 Ca 0.01 1.13 0.18 0.00 0.71 0.00 0.00 52.55 54.58 3fa3 s ASP 301 Cb 0.01 -2.45 1.05 0.00 1.01 0.00 0.00 42.92 42.54 3fa3 s ASP 301 CO 0.01 -0.44 1.45 0.18 0.21 0.00 0.00 175.17 176.58