#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 4.42 0.26 0.54 -1.94 -1.26 -5.08 119.30 116.25 3fa3 s MET 3 Ca 0.00 1.36 0.01 0.00 -1.71 0.00 0.00 55.69 55.36 3fa3 s MET 3 Cb 0.00 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 3fa3 s MET 3 CO 0.00 0.12 0.09 0.54 -0.01 0.00 0.00 175.02 175.76 3fa3 s VAL 4 N -1.69 0.59 -0.28 -6.03 0.11 -1.26 -5.17 120.40 106.67 3fa3 s VAL 4 Ca 0.54 -2.00 -0.19 0.00 -2.93 0.00 0.00 61.98 57.39 3fa3 s VAL 4 Cb -0.19 -2.63 0.11 0.00 -1.53 0.00 0.00 36.38 32.15 3fa3 s VAL 4 CO 0.24 -0.02 0.89 0.28 -3.33 0.00 0.00 175.10 173.16 3fa3 s THR 5 N -3.73 0.00 0.61 5.04 -1.32 -1.26 -5.00 115.64 109.99 3fa3 s THR 5 Ca 0.37 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 61.17 3fa3 s THR 5 Cb 0.08 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.44 3fa3 s THR 5 CO 0.13 0.00 2.15 0.00 -2.21 0.00 0.00 174.62 174.70 3fa3 h ALA 6 N 5.69 1.58 -1.30 11.08 0.00 -1.73 -2.36 119.26 132.21 3fa3 h ALA 6 Ca -0.29 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 6 Cb 1.19 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3fa3 h ALA 6 CO 0.15 -0.20 0.89 0.00 0.00 0.00 0.00 179.25 180.09 3fa3 h ALA 7 N 1.80 2.95 0.07 0.00 0.00 -1.78 -0.06 119.26 122.24 3fa3 h ALA 7 Ca 0.05 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 3fa3 h ALA 7 Cb 0.35 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3fa3 h ALA 7 CO -0.00 -1.40 -1.67 1.15 0.00 0.00 0.00 179.25 177.33 3fa3 h THR 8 N 0.11 0.95 -0.61 0.00 2.02 -1.67 -0.87 112.91 112.84 3fa3 h THR 8 Ca 0.68 -2.69 0.07 0.00 0.77 0.00 0.00 66.41 65.24 3fa3 h THR 8 Cb 2.37 2.59 -0.06 0.00 -1.74 0.00 0.00 68.15 71.31 3fa3 h THR 8 CO -0.16 0.73 0.29 -1.28 0.37 0.00 0.00 175.52 175.47 3fa3 h SER 9 N 0.04 0.37 0.02 4.18 0.87 -1.16 -2.52 113.55 115.34 3fa3 h SER 9 Ca -0.29 0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.14 3fa3 h SER 9 Cb 2.01 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 63.97 3fa3 h SER 9 CO 0.11 0.23 -0.73 0.25 -0.53 0.00 0.00 176.83 176.16 3fa3 h LEU 10 N 0.52 0.62 -0.93 2.23 5.85 -1.37 -1.87 115.31 120.36 3fa3 h LEU 10 Ca 0.29 -0.77 0.21 0.00 0.84 0.00 0.00 57.88 58.44 3fa3 h LEU 10 Cb 0.28 -0.19 -0.17 0.00 0.37 0.00 0.00 40.66 40.94 3fa3 h LEU 10 CO -0.24 1.31 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.95 3fa3 h ARG 11 N -0.01 0.01 -0.18 1.25 9.65 -1.17 -1.06 114.38 122.88 3fa3 h ARG 11 Ca -0.10 -0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.65 3fa3 h ARG 11 Cb 1.44 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 3fa3 h ARG 11 CO 0.14 0.01 -0.42 0.00 2.80 0.00 0.00 179.97 182.50 3fa3 h ARG 12 N 0.01 0.60 -0.70 0.20 3.08 -1.17 -2.29 114.38 114.12 3fa3 h ARG 12 Ca 0.48 -0.41 0.15 0.00 0.07 0.00 0.00 59.98 60.28 3fa3 h ARG 12 Cb 0.83 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.82 3fa3 h ARG 12 CO -0.92 1.02 0.02 0.00 -1.07 0.00 0.00 179.97 179.03 3fa3 h ALA 13 N 0.57 0.73 0.00 0.04 0.00 -0.70 -0.27 119.26 119.63 3fa3 h ALA 13 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fa3 h ALA 13 Cb 1.03 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3fa3 h ALA 13 CO 0.09 -0.40 0.00 -0.07 0.00 0.00 0.00 179.25 178.87 3fa3 h LEU 14 N 0.13 0.00 -1.23 0.00 3.38 -1.01 -2.11 115.31 114.47 3fa3 h LEU 14 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3fa3 h LEU 14 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3fa3 h LEU 14 CO -0.59 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 177.61 3fa3 h GLU 15 N 0.00 0.00 -5.10 1.13 5.08 -0.46 -3.41 114.58 111.81 3fa3 h GLU 15 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3fa3 h GLU 15 Cb 0.74 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.70 3fa3 h GLU 15 CO 0.00 0.00 -0.76 0.54 -1.00 0.00 0.00 179.01 177.79 3fa3 s ASN 16 N -5.38 4.00 0.49 1.42 2.20 -0.79 -4.98 114.94 111.90 3fa3 s ASN 16 Ca 0.02 -0.42 0.32 0.00 -0.94 0.00 0.00 52.86 51.85 3fa3 s ASN 16 Cb 0.09 -1.65 1.41 0.00 -2.00 0.00 0.00 41.25 39.09 3fa3 s ASN 16 CO 0.52 0.04 1.96 -0.65 -2.94 0.00 0.00 177.10 176.02 3fa3 h PRO 17 N 7.66 0.00 0.00 3.55 0.11 -1.82 -1.56 132.00 139.94 3fa3 h PRO 17 Ca -0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3fa3 h PRO 17 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3fa3 h PRO 17 CO 0.60 0.00 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.69 3fa3 h ASP 18 N 0.00 0.00 -3.64 -2.05 3.32 -1.93 -3.45 116.42 108.66 3fa3 h ASP 18 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3fa3 h ASP 18 Cb 0.40 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.00 3fa3 h ASP 18 CO 0.00 0.26 0.65 -0.44 -1.72 0.00 0.00 179.24 177.99 3fa3 s SER 19 N -6.26 6.82 -0.01 6.45 0.01 -0.59 -5.04 113.70 115.08 3fa3 s SER 19 Ca 0.00 2.58 0.04 0.00 1.31 0.00 0.00 55.95 59.88 3fa3 s SER 19 Cb 0.11 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 3fa3 s SER 19 CO 0.65 -0.54 -0.13 0.12 0.41 0.00 0.00 173.24 173.75 3fa3 s PHE 20 N -0.58 1.17 -0.12 2.43 5.36 -1.26 -4.91 117.98 120.07 3fa3 s PHE 20 Ca 0.53 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 3fa3 s PHE 20 Cb -0.39 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.56 3fa3 s PHE 20 CO 0.46 -0.02 -0.15 0.42 -1.46 0.00 0.00 175.22 174.47 3fa3 s ILE 21 N -0.32 1.54 -0.28 3.12 1.01 -0.57 -5.02 121.20 120.68 3fa3 s ILE 21 Ca 0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 3fa3 s ILE 21 Cb -0.05 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3fa3 s ILE 21 CO -0.00 0.45 0.05 -0.69 0.00 0.00 0.00 174.94 174.75 3fa3 s VAL 22 N 1.19 3.83 -0.27 2.92 1.01 -1.26 0.50 120.40 128.31 3fa3 s VAL 22 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3fa3 s VAL 22 Cb -0.14 -2.94 0.08 0.00 0.00 0.00 0.00 36.38 33.39 3fa3 s VAL 22 CO -0.05 0.14 0.06 0.00 0.00 0.00 0.00 175.10 175.25 3fa3 s ALA 23 N 1.49 1.49 0.34 5.51 0.00 -0.26 -4.03 121.76 126.29 3fa3 s ALA 23 Ca 0.03 -1.39 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 3fa3 s ALA 23 Cb -0.17 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.37 3fa3 s ALA 23 CO 0.01 -1.47 1.24 -1.25 0.00 0.00 0.00 175.76 174.29 3fa3 s PRO 24 N 1.63 4.31 0.14 0.00 0.04 -1.26 -2.39 135.00 137.48 3fa3 s PRO 24 Ca 0.05 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.83 3fa3 s PRO 24 Cb -0.17 -2.98 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 3fa3 s PRO 24 CO -0.18 -0.17 1.82 0.20 0.04 0.00 0.00 177.00 178.71 3fa3 s GLY 25 N -0.72 1.30 0.08 0.56 0.00 0.17 -0.81 107.32 107.90 3fa3 s GLY 25 Ca 0.51 1.49 0.03 0.00 0.00 0.00 0.00 44.72 46.75 3fa3 s GLY 25 CO 0.47 3.10 -0.09 -1.34 0.00 0.00 0.00 173.10 175.25 3fa3 s VAL 26 N 2.41 0.80 0.00 1.40 -7.23 0.04 -3.65 120.40 114.17 3fa3 s VAL 26 Ca 0.80 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3fa3 s VAL 26 Cb -0.47 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3fa3 s VAL 26 CO 0.36 -0.59 0.08 0.00 -0.31 0.00 0.00 175.10 174.65 3fa3 n TYR 27 N 0.64 0.00 -3.93 2.82 4.11 -1.26 -2.35 117.16 117.19 3fa3 n TYR 27 Ca -0.17 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.71 3fa3 n TYR 27 Cb 0.58 -0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.94 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N -0.00 -1.64 -0.16 9.48 5.75 -1.26 -4.38 116.55 124.34 3fa3 n ASP 28 Ca 0.00 -1.78 -0.10 0.00 -0.01 0.00 0.00 54.79 52.89 3fa3 n ASP 28 Cb 0.25 2.64 -0.01 0.00 -1.03 0.00 0.00 41.12 42.97 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 1.99 0.90 0.60 6.12 0.00 -1.97 -2.43 103.07 108.28 3fa3 h GLY 29 Ca -0.26 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 3fa3 h GLY 29 CO 0.36 0.65 -0.32 1.41 0.00 0.00 0.00 176.54 178.64 3fa3 h LEU 30 N 0.67 -0.76 -1.32 3.11 3.38 -1.97 -0.72 115.31 117.70 3fa3 h LEU 30 Ca 0.12 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.49 3fa3 h LEU 30 Cb 0.58 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.41 3fa3 h LEU 30 CO 0.03 -0.52 0.75 0.77 0.09 0.00 0.00 178.44 179.57 3fa3 h SER 31 N -0.84 0.34 -0.05 -0.43 4.64 -1.98 -1.72 113.55 113.51 3fa3 h SER 31 Ca -0.08 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3fa3 h SER 31 Cb 0.66 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3fa3 h SER 31 CO 0.12 -0.11 -0.07 0.00 -0.87 0.00 0.00 176.83 175.90 3fa3 h ALA 32 N 1.66 0.08 -0.85 5.18 0.00 -0.83 -1.58 119.26 122.92 3fa3 h ALA 32 Ca 0.74 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.45 3fa3 h ALA 32 Cb 2.13 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.83 3fa3 h ALA 32 CO -0.42 -0.10 0.49 0.00 0.00 0.00 0.00 179.25 179.22 3fa3 h ARG 33 N -0.33 0.80 0.23 0.00 2.47 -0.57 0.16 114.38 117.14 3fa3 h ARG 33 Ca 0.01 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3fa3 h ARG 33 Cb 0.60 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3fa3 h ARG 33 CO 0.02 0.53 -0.11 0.28 0.56 0.00 0.00 179.97 181.25 3fa3 h VAL 34 N 0.83 0.85 -0.82 2.04 2.07 -1.29 0.13 116.25 120.06 3fa3 h VAL 34 Ca 0.41 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3fa3 h VAL 34 Cb 0.36 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3fa3 h VAL 34 CO -0.24 0.13 0.52 0.00 0.02 0.00 0.00 177.57 178.00 3fa3 h ALA 35 N 0.04 1.07 -0.10 1.67 0.00 -1.19 -1.30 119.26 119.46 3fa3 h ALA 35 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 35 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3fa3 h ALA 35 CO 0.05 0.35 0.06 -0.07 0.00 0.00 0.00 179.25 179.64 3fa3 h LEU 36 N 1.02 0.10 -2.01 0.00 -0.00 -0.54 -2.42 115.31 111.47 3fa3 h LEU 36 Ca 0.33 -0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.36 3fa3 h LEU 36 Cb 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 3fa3 h LEU 36 CO -0.11 0.08 0.43 0.28 -0.00 0.00 0.00 178.44 179.12 3fa3 h SER 37 N 0.13 0.00 0.96 -0.43 0.02 -0.30 0.51 113.55 114.44 3fa3 h SER 37 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3fa3 h SER 37 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3fa3 h SER 37 CO -0.01 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.65 3fa3 h ALA 38 N 1.62 1.01 0.00 3.77 0.00 -0.73 -3.47 119.26 121.47 3fa3 h ALA 38 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 38 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fa3 h ALA 38 CO -0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3fa3 n GLY 39 N -0.01 0.94 3.50 0.00 0.00 0.17 -5.08 105.19 104.71 3fa3 n GLY 39 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.90 0.50 0.99 1.61 3.01 -1.24 -4.90 117.46 116.54 3fa3 n PHE 40 Ca 0.00 0.83 0.11 0.00 1.01 0.00 0.00 57.45 59.39 3fa3 n PHE 40 Cb 0.00 -2.12 -0.05 0.00 -0.01 0.00 0.00 39.48 37.30 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 1.61 1.65 -3.93 4.37 8.00 -1.26 -4.80 116.55 122.19 3fa3 n ASP 41 Ca 0.14 -1.33 -0.08 0.00 0.71 0.00 0.00 54.79 54.23 3fa3 n ASP 41 Cb 0.28 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 41.97 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 -2.65 0.01 0.10 2.24 0.00 -1.26 -4.02 121.76 116.19 3fa3 s ALA 42 Ca 0.15 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.36 3fa3 s ALA 42 Cb 0.17 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3fa3 s ALA 42 CO 0.67 -0.48 -0.17 -0.51 0.00 0.00 0.00 175.76 175.28 3fa3 s LEU 43 N -2.89 2.33 -0.26 0.00 1.43 0.07 -4.20 118.68 115.16 3fa3 s LEU 43 Ca 0.06 -0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3fa3 s LEU 43 Cb 0.06 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.64 3fa3 s LEU 43 CO -0.10 -0.04 -0.07 -0.47 0.23 0.00 0.00 176.35 175.90 3fa3 s TYR 44 N -1.52 3.14 -0.64 0.29 5.04 0.01 0.26 117.35 123.93 3fa3 s TYR 44 Ca 0.05 -1.83 -0.26 0.00 -2.44 0.00 0.00 57.07 52.59 3fa3 s TYR 44 Cb -0.08 -2.03 0.04 0.00 0.35 0.00 0.00 41.96 40.24 3fa3 s TYR 44 CO 0.04 -0.79 1.11 1.41 -1.34 0.00 0.00 175.55 175.97 3fa3 s MET 45 N 1.25 3.28 0.10 4.97 -2.45 0.19 -0.78 119.30 125.87 3fa3 s MET 45 Ca -0.03 -0.27 -0.31 0.00 -1.25 0.00 0.00 55.69 53.83 3fa3 s MET 45 Cb -0.18 -4.12 -0.08 0.00 1.25 0.00 0.00 34.83 31.70 3fa3 s MET 45 CO -0.04 -1.81 1.37 -0.08 1.05 0.00 0.00 175.02 175.50 3fa3 s THR 46 N 4.77 3.40 0.05 10.11 -1.32 -0.99 -2.44 115.64 129.22 3fa3 s THR 46 Ca 0.33 1.00 -0.25 0.00 -1.21 0.00 0.00 61.69 61.56 3fa3 s THR 46 Cb -0.11 -3.64 -0.17 0.00 -1.51 0.00 0.00 72.50 67.07 3fa3 s THR 46 CO 0.17 0.07 1.56 1.23 -2.21 0.00 0.00 174.62 175.45 3fa3 h GLY 47 N 6.90 -0.14 -0.77 6.08 0.00 -1.93 0.11 103.07 113.32 3fa3 h GLY 47 Ca -0.42 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.04 3fa3 h GLY 47 CO 0.86 -0.05 -0.58 0.00 0.00 0.00 0.00 176.54 176.78 3fa3 h ALA 48 N 0.60 -0.64 -0.61 3.60 0.00 -1.96 -2.01 119.26 118.25 3fa3 h ALA 48 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 48 Cb 0.24 1.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 3fa3 h ALA 48 CO 0.02 -1.00 -0.41 0.78 0.00 0.00 0.00 179.25 178.64 3fa3 h GLY 49 N -0.15 -1.38 -0.28 0.00 0.00 -1.81 -1.83 103.07 97.63 3fa3 h GLY 49 Ca 0.13 0.88 0.08 0.00 0.00 0.00 0.00 47.33 48.42 3fa3 h GLY 49 CO -0.81 -0.28 -0.36 -0.84 0.00 0.00 0.00 176.54 174.26 3fa3 h THR 50 N -0.06 0.18 -0.97 4.70 2.02 -0.32 0.16 112.91 118.62 3fa3 h THR 50 Ca 0.10 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.54 3fa3 h THR 50 Cb 0.32 0.18 -0.13 0.00 -1.74 0.00 0.00 68.15 66.78 3fa3 h THR 50 CO -0.61 0.00 0.52 0.00 0.37 0.00 0.00 175.52 175.80 3fa3 h ALA 51 N 0.73 1.72 -0.13 6.16 0.00 -1.12 0.49 119.26 127.12 3fa3 h ALA 51 Ca 0.18 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3fa3 h ALA 51 Cb 0.55 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fa3 h ALA 51 CO -0.59 -0.38 -0.30 0.00 0.00 0.00 0.00 179.25 177.98 3fa3 h ALA 52 N 1.76 0.22 0.14 0.00 0.00 0.15 -1.80 119.26 119.72 3fa3 h ALA 52 Ca 0.65 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 3fa3 h ALA 52 Cb 1.31 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.09 3fa3 h ALA 52 CO -0.54 0.24 -0.88 1.03 0.00 0.00 0.00 179.25 179.10 3fa3 h SER 53 N 0.03 0.53 0.32 0.00 0.87 -0.72 -0.71 113.55 113.87 3fa3 h SER 53 Ca 0.00 -0.92 -0.17 0.00 -1.23 0.00 0.00 61.79 59.47 3fa3 h SER 53 Cb 0.90 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3fa3 h SER 53 CO 0.07 1.41 -0.68 0.58 -0.53 0.00 0.00 176.83 177.68 3fa3 h VAL 54 N -0.26 1.39 0.00 2.23 2.07 -0.18 -3.38 116.25 118.12 3fa3 h VAL 54 Ca -0.15 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3fa3 h VAL 54 Cb 1.67 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3fa3 h VAL 54 CO 0.17 0.63 -0.64 1.41 0.02 0.00 0.00 177.57 179.15 3fa3 n HIS 55 N -3.84 0.00 -2.32 1.57 8.25 -0.91 -5.00 115.22 112.96 3fa3 n HIS 55 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 3fa3 n HIS 55 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 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 1.80 -0.02 3.37 -1.41 0.00 -0.27 -4.99 105.19 103.67 3fa3 n GLY 56 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fa3 s GLN 57 N -4.69 1.39 0.96 1.61 1.11 -0.74 -4.97 119.66 114.34 3fa3 s GLN 57 Ca 0.04 -1.65 -0.16 0.00 0.01 0.00 0.00 55.36 53.61 3fa3 s GLN 57 Cb -0.02 -1.13 0.22 0.00 -1.01 0.00 0.00 33.01 31.07 3fa3 s GLN 57 CO 0.05 0.14 1.31 0.00 0.01 0.00 0.00 175.29 176.80 3fa3 n ALA 58 N -0.44 -1.44 -3.14 6.09 0.00 -1.26 -2.89 120.51 117.43 3fa3 n ALA 58 Ca -0.07 -1.73 -0.45 0.00 0.00 0.00 0.00 53.44 51.18 3fa3 n ALA 58 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3fa3 n ALA 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fa3 s ASP 59 N -5.80 6.90 0.00 0.00 3.68 -1.26 -4.64 116.67 115.56 3fa3 s ASP 59 Ca 0.74 -2.76 0.00 0.00 2.13 0.00 0.00 52.55 52.67 3fa3 s ASP 59 Cb -0.02 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3fa3 s ASP 59 CO 0.52 -0.69 0.66 0.18 0.13 0.00 0.00 175.17 175.98 3fa3 n LEU 60 N 4.76 0.66 0.00 -1.34 4.77 -1.25 -1.88 117.00 122.72 3fa3 n LEU 60 Ca 0.23 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3fa3 n LEU 60 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3fa3 n LEU 60 CO 0.46 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3fa3 n GLY 61 N -0.16 0.68 0.10 -0.72 0.00 -0.81 -4.18 105.19 100.09 3fa3 n GLY 61 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 1.20 -2.75 -0.61 2.04 -1.89 -3.46 117.51 112.04 3fa3 h ILE 62 Ca 0.00 -2.76 -0.53 0.00 1.00 0.00 0.00 64.86 62.57 3fa3 h ILE 62 Cb 0.45 2.57 0.03 0.00 -0.74 0.00 0.00 36.82 39.13 3fa3 h ILE 62 CO 0.00 0.68 0.94 0.00 0.00 0.00 0.00 178.15 179.77 3fa3 s THR 64 N 1.94 2.48 0.28 0.00 -4.23 -1.26 -4.92 115.64 109.93 3fa3 s THR 64 Ca 0.72 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 3fa3 s THR 64 Cb -0.42 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 70.85 3fa3 s THR 64 CO 0.32 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.46 3fa3 h LEU 65 N -0.13 0.84 -0.56 4.79 5.85 -1.95 -1.76 115.31 122.39 3fa3 h LEU 65 Ca -0.40 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3fa3 h LEU 65 Cb 1.29 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3fa3 h LEU 65 CO 0.49 0.41 0.30 0.78 -0.34 0.00 0.00 178.44 180.08 3fa3 h ASN 66 N 0.89 0.46 0.35 1.25 4.21 -1.99 0.30 115.58 121.05 3fa3 h ASN 66 Ca 0.51 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 58.02 3fa3 h ASN 66 Cb 0.59 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3fa3 h ASN 66 CO -0.30 0.31 -0.17 0.44 -1.29 0.00 0.00 177.43 176.42 3fa3 h ASP 67 N 0.59 -0.40 -0.24 5.81 3.32 -1.71 -2.08 116.42 121.70 3fa3 h ASP 67 Ca 0.24 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3fa3 h ASP 67 Cb 0.12 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3fa3 h ASP 67 CO -0.15 -0.23 -0.19 0.24 -1.72 0.00 0.00 179.24 177.19 3fa3 h MET 68 N -0.55 0.69 -0.09 3.56 2.86 -1.11 -1.67 114.93 118.61 3fa3 h MET 68 Ca -0.05 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3fa3 h MET 68 Cb 0.41 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 3fa3 h MET 68 CO 0.08 0.83 -0.09 -0.09 1.06 0.00 0.00 176.91 178.70 3fa3 h ARG 69 N 0.61 0.23 -0.28 1.72 1.12 -0.41 -1.92 114.38 115.45 3fa3 h ARG 69 Ca 0.09 -0.12 0.06 0.00 -1.11 0.00 0.00 59.98 58.90 3fa3 h ARG 69 Cb 0.66 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.56 3fa3 h ARG 69 CO 0.05 0.65 -0.13 0.00 -3.11 0.00 0.00 179.97 177.43 3fa3 h ALA 70 N 0.57 0.11 0.28 2.80 0.00 -1.21 0.12 119.26 121.93 3fa3 h ALA 70 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fa3 h ALA 70 Cb 0.61 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3fa3 h ALA 70 CO 0.02 -0.52 -0.14 -0.97 0.00 0.00 0.00 179.25 177.64 3fa3 h ASN 71 N -0.08 -0.32 -0.79 0.00 -0.00 -1.30 -1.23 115.58 111.85 3fa3 h ASN 71 Ca 0.15 -0.11 0.17 0.00 -0.00 0.00 0.00 56.30 56.51 3fa3 h ASN 71 Cb 0.30 0.08 -0.11 0.00 -0.00 0.00 0.00 38.32 38.60 3fa3 h ASN 71 CO -0.34 -0.08 0.28 0.00 -0.00 0.00 0.00 177.43 177.29 3fa3 h ALA 72 N 0.10 1.13 -0.24 1.57 0.00 -1.07 0.15 119.26 120.90 3fa3 h ALA 72 Ca -0.04 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3fa3 h ALA 72 Cb 0.41 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fa3 h ALA 72 CO 0.06 -0.30 0.02 1.49 0.00 0.00 0.00 179.25 180.53 3fa3 h GLU 73 N 0.36 0.41 -0.16 0.00 4.81 -0.49 0.30 114.58 119.81 3fa3 h GLU 73 Ca 0.46 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 59.36 3fa3 h GLU 73 Cb 0.79 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.13 3fa3 h GLU 73 CO -0.49 0.57 -0.72 0.00 -0.73 0.00 0.00 179.01 177.64 3fa3 h MET 74 N 0.20 0.77 -0.41 1.92 -0.00 -0.23 -1.80 114.93 115.38 3fa3 h MET 74 Ca 0.07 -0.61 0.02 0.00 -0.00 0.00 0.00 59.70 59.18 3fa3 h MET 74 Cb 0.37 0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.06 3fa3 h MET 74 CO 0.01 1.23 0.22 0.82 -0.00 0.00 0.00 176.91 179.18 3fa3 h ILE 75 N 0.49 1.01 0.00 -0.10 2.04 -0.75 -2.54 117.51 117.67 3fa3 h ILE 75 Ca -0.05 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3fa3 h ILE 75 Cb 1.35 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3fa3 h ILE 75 CO 0.15 0.08 -0.01 0.28 0.00 0.00 0.00 178.15 178.66 3fa3 h SER 76 N 0.45 0.00 -0.36 1.72 0.02 -0.12 -1.25 113.55 114.01 3fa3 h SER 76 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3fa3 h SER 76 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3fa3 h SER 76 CO -0.10 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.19 3fa3 n ASN 77 N -3.57 2.99 0.36 3.07 3.02 -0.81 -3.93 115.26 116.39 3fa3 n ASN 77 Ca -0.03 -1.91 -0.14 0.00 -0.03 0.00 0.00 54.58 52.47 3fa3 n ASN 77 Cb 0.09 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 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 2.71 0.00 -3.53 2.41 2.04 -0.98 -3.37 117.51 116.79 3fa3 h ILE 78 Ca 0.00 -0.19 -0.68 0.00 1.00 0.00 0.00 64.86 64.99 3fa3 h ILE 78 Cb 0.76 0.00 -0.37 0.00 -0.74 0.00 0.00 36.82 36.47 3fa3 h ILE 78 CO 0.00 0.00 -0.55 -0.55 0.00 0.00 0.00 178.15 177.05 3fa3 s SER 79 N -4.08 4.99 0.45 1.72 0.15 -1.26 -4.97 113.70 110.70 3fa3 s SER 79 Ca -0.14 -2.43 0.16 0.00 0.70 0.00 0.00 55.95 54.24 3fa3 s SER 79 Cb 0.01 -1.76 1.10 0.00 -1.71 0.00 0.00 66.02 63.67 3fa3 s SER 79 CO 0.41 -0.41 1.98 -0.65 1.20 0.00 0.00 173.24 175.77 3fa3 h PRO 80 N 7.44 0.32 0.00 5.44 0.11 -1.75 -0.47 132.00 143.09 3fa3 h PRO 80 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3fa3 h PRO 80 Cb 0.99 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3fa3 h PRO 80 CO 0.66 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 3fa3 n SER 81 N -4.46 0.12 -4.54 -2.05 3.41 -1.26 -4.14 113.62 100.70 3fa3 n SER 81 Ca 0.10 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3fa3 n SER 81 Cb 0.43 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.04 4.94 0.31 6.66 2.01 -0.19 -4.83 115.64 121.50 3fa3 s THR 82 Ca 0.08 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 3fa3 s THR 82 Cb 0.12 -4.07 -0.12 0.00 0.01 0.00 0.00 72.50 68.44 3fa3 s THR 82 CO 0.36 -0.39 1.52 -2.65 -0.69 0.00 0.00 174.62 172.77 3fa3 n PRO 83 N 5.95 2.55 -4.36 4.92 -0.02 -1.26 -4.80 135.00 137.97 3fa3 n PRO 83 Ca -0.03 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 62.02 3fa3 n PRO 83 Cb 0.48 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 3fa3 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa3 s VAL 84 N -0.34 2.20 -0.49 -1.45 1.01 -1.26 -0.76 120.40 119.32 3fa3 s VAL 84 Ca 0.62 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3fa3 s VAL 84 Cb -0.52 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.00 3fa3 s VAL 84 CO 0.53 0.53 0.60 -0.63 0.00 0.00 0.00 175.10 176.13 3fa3 s ILE 85 N 1.07 4.91 -0.23 2.22 1.01 0.14 -1.60 121.20 128.73 3fa3 s ILE 85 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 3fa3 s ILE 85 Cb -0.14 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 3fa3 s ILE 85 CO -0.07 -0.73 0.20 0.00 0.00 0.00 0.00 174.94 174.34 3fa3 s ALA 86 N 2.55 3.61 0.30 9.38 0.00 0.23 -0.63 121.76 137.20 3fa3 s ALA 86 Ca 0.15 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3fa3 s ALA 86 Cb -0.19 -2.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 3fa3 s ALA 86 CO 0.13 -0.15 1.45 0.34 0.00 0.00 0.00 175.76 177.53 3fa3 s ASP 87 N 0.93 6.58 -0.11 0.00 -1.08 -1.02 -2.58 116.67 119.38 3fa3 s ASP 87 Ca 0.10 2.79 0.14 0.00 -0.52 0.00 0.00 52.55 55.05 3fa3 s ASP 87 Cb -0.13 -2.64 0.29 0.00 -1.46 0.00 0.00 42.92 38.98 3fa3 s ASP 87 CO 0.04 -0.73 1.14 0.00 0.52 0.00 0.00 175.17 176.14 3fa3 n ALA 88 N 1.67 2.64 -0.45 3.66 0.00 -1.00 -4.83 120.51 122.20 3fa3 n ALA 88 Ca 0.05 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 51.01 3fa3 n ALA 88 Cb 0.40 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.77 0.00 -0.58 0.00 10.43 -1.23 -2.14 116.55 122.25 3fa3 n ASP 89 Ca 0.12 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.54 3fa3 n ASP 89 Cb 0.74 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.84 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3fa3 n THR 90 N 0.00 0.87 -0.22 -3.53 -2.24 -1.26 -0.42 114.28 107.48 3fa3 n THR 90 Ca 0.00 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 3fa3 n THR 90 Cb 0.00 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.48 0.78 2.43 3.38 0.00 -0.91 -4.41 105.19 106.94 3fa3 n GLY 91 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.14 -0.35 -1.23 1.61 4.02 -1.26 -3.56 117.16 114.26 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 -3.17 0.00 0.00 -0.02 0.00 0.00 39.34 36.15 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 -0.93 0.24 0.00 2.72 0.00 -1.26 -4.84 105.19 101.12 3fa3 n GLY 93 Ca -0.19 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.92 0.29 -0.02 0.00 -1.26 -4.66 105.19 98.62 3fa3 n GLY 94 Ca 0.00 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.47 3fa3 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fa3 n PRO 95 N -1.00 -0.06 0.11 1.61 -0.02 -1.26 -0.77 135.00 133.61 3fa3 n PRO 95 Ca 0.00 1.25 -0.12 0.00 -2.02 0.00 0.00 63.50 62.60 3fa3 n PRO 95 Cb 0.00 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3fa3 n PRO 95 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3fa3 h ILE 96 N 0.00 0.43 0.00 4.25 2.04 -1.98 -0.78 117.51 121.47 3fa3 h ILE 96 Ca 0.54 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.34 3fa3 h ILE 96 Cb 1.18 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3fa3 h ILE 96 CO -0.77 0.00 -0.32 0.24 0.00 0.00 0.00 178.15 177.30 3fa3 h MET 97 N -0.46 0.00 -0.02 2.37 2.86 -1.23 -2.39 114.93 116.05 3fa3 h MET 97 Ca 0.03 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 3fa3 h MET 97 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3fa3 h MET 97 CO -0.16 0.32 -0.66 0.28 1.06 0.00 0.00 176.91 177.75 3fa3 h VAL 98 N 0.00 1.45 0.06 -2.22 2.07 -0.64 -0.13 116.25 116.84 3fa3 h VAL 98 Ca -0.00 -2.20 -0.00 0.00 0.82 0.00 0.00 66.70 65.32 3fa3 h VAL 98 Cb 0.69 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3fa3 h VAL 98 CO 0.04 0.63 -0.03 0.00 0.02 0.00 0.00 177.57 178.23 3fa3 h ALA 99 N 1.27 -0.09 -0.91 1.67 0.00 -0.70 -1.25 119.26 119.25 3fa3 h ALA 99 Ca -0.01 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.83 3fa3 h ALA 99 Cb 1.17 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3fa3 h ALA 99 CO 0.09 -0.29 0.59 0.00 0.00 0.00 0.00 179.25 179.63 3fa3 h ARG 100 N -0.59 0.59 0.13 0.00 3.08 -1.35 1.09 114.38 117.33 3fa3 h ARG 100 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3fa3 h ARG 100 Cb 0.51 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3fa3 h ARG 100 CO 0.01 0.39 -0.06 1.15 -1.07 0.00 0.00 179.97 180.40 3fa3 h THR 101 N 0.61 0.98 -0.75 2.04 2.02 -0.98 0.73 112.91 117.56 3fa3 h THR 101 Ca 0.47 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.26 3fa3 h THR 101 Cb 0.88 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 3fa3 h THR 101 CO -0.22 0.10 0.49 0.74 0.37 0.00 0.00 175.52 177.00 3fa3 h THR 102 N -0.36 1.17 -0.17 3.16 2.02 0.20 0.18 112.91 119.12 3fa3 h THR 102 Ca -0.02 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3fa3 h THR 102 Cb 0.29 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3fa3 h THR 102 CO 0.03 0.18 -0.01 -0.33 0.37 0.00 0.00 175.52 175.76 3fa3 h GLU 103 N 1.00 0.30 -0.19 6.66 5.08 0.13 -1.67 114.58 125.88 3fa3 h GLU 103 Ca 0.28 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3fa3 h GLU 103 Cb -0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3fa3 h GLU 103 CO -0.07 0.54 -0.05 1.96 -1.00 0.00 0.00 179.01 180.38 3fa3 h GLN 104 N 0.04 0.38 -0.93 2.33 4.20 -0.67 -0.12 115.11 120.33 3fa3 h GLN 104 Ca 0.05 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.66 3fa3 h GLN 104 Cb 0.41 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 3fa3 h GLN 104 CO 0.01 0.64 0.60 1.88 -0.67 0.00 0.00 178.83 181.29 3fa3 h TYR 105 N 0.09 1.11 -0.22 2.96 -1.99 -1.00 0.19 116.97 118.12 3fa3 h TYR 105 Ca 0.05 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 3fa3 h TYR 105 Cb 0.50 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 3fa3 h TYR 105 CO 0.05 0.60 -0.06 0.77 -0.00 0.00 0.00 178.16 179.52 3fa3 h SER 106 N 1.12 0.43 -0.54 3.88 0.02 -0.80 -2.27 113.55 115.39 3fa3 h SER 106 Ca 0.39 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3fa3 h SER 106 Cb 0.10 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3fa3 h SER 106 CO -0.15 0.71 0.36 0.03 -1.14 0.00 0.00 176.83 176.63 3fa3 h ARG 107 N 0.15 0.55 0.00 3.45 3.08 -0.64 -2.00 114.38 118.97 3fa3 h ARG 107 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3fa3 h ARG 107 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3fa3 h ARG 107 CO 0.02 0.36 0.00 0.43 -1.07 0.00 0.00 179.97 179.72 3fa3 n SER 108 N -4.47 0.00 0.00 7.04 7.64 0.02 -4.88 113.62 118.97 3fa3 n SER 108 Ca 0.07 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3fa3 n SER 108 Cb 0.18 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.13 1.54 3.61 0.23 0.00 -0.75 -4.67 105.19 105.02 3fa3 n GLY 109 Ca 0.07 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 0.65 0.13 1.61 0.31 -0.89 -4.22 118.33 113.93 3fa3 n VAL 110 Ca 0.00 -0.16 -0.23 0.00 -0.01 0.00 0.00 64.34 63.94 3fa3 n VAL 110 Cb 0.00 -1.03 -0.15 0.00 -0.91 0.00 0.00 33.84 31.75 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 4.00 -0.10 -2.60 3.52 0.00 -1.63 -3.40 119.26 119.04 3fa3 h ALA 111 Ca -0.45 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 53.57 3fa3 h ALA 111 Cb 1.32 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.10 3fa3 h ALA 111 CO 0.74 0.73 0.15 0.00 0.00 0.00 0.00 179.25 180.88 3fa3 s ALA 112 N -2.68 -1.56 0.02 0.00 0.00 -1.06 -0.60 121.76 115.89 3fa3 s ALA 112 Ca -0.08 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3fa3 s ALA 112 Cb 0.05 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 3fa3 s ALA 112 CO 0.94 -0.59 0.03 -0.59 0.00 0.00 0.00 175.76 175.54 3fa3 s PHE 113 N -2.75 0.22 -0.13 0.00 -0.12 -0.79 0.77 117.98 115.18 3fa3 s PHE 113 Ca -0.04 -0.47 -0.04 0.00 -0.05 0.00 0.00 56.93 56.33 3fa3 s PHE 113 Cb -0.01 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 3fa3 s PHE 113 CO -0.04 -0.25 0.00 -3.38 -0.05 0.00 0.00 175.22 171.50 3fa3 s HIS 114 N -1.79 3.14 -0.09 3.49 -3.43 -1.07 -0.93 115.29 114.61 3fa3 s HIS 114 Ca -0.12 0.03 -0.00 0.00 -0.80 0.00 0.00 55.06 54.16 3fa3 s HIS 114 Cb -0.07 -1.90 -0.03 0.00 -1.43 0.00 0.00 32.58 29.15 3fa3 s HIS 114 CO -0.02 0.26 -0.06 0.42 -2.00 0.00 0.00 174.74 173.34 3fa3 s ILE 115 N -0.25 3.74 0.00 -5.38 1.01 -0.39 -2.38 121.20 117.55 3fa3 s ILE 115 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3fa3 s ILE 115 Cb -0.12 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3fa3 s ILE 115 CO 0.02 0.58 0.00 -1.84 0.00 0.00 0.00 174.94 173.70 3fa3 n GLU 116 N 2.53 1.97 -0.18 2.79 0.28 0.44 -0.27 120.64 128.19 3fa3 n GLU 116 Ca -0.18 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 56.91 3fa3 n GLU 116 Cb 0.53 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.54 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 -1.39 2.14 -2.53 -1.84 5.75 -1.23 -4.75 116.55 112.70 3fa3 n ASP 117 Ca 0.00 -3.15 -0.07 0.00 -0.01 0.00 0.00 54.79 51.56 3fa3 n ASP 117 Cb 0.00 -0.43 0.05 0.00 -1.03 0.00 0.00 41.12 39.70 3fa3 n ASP 117 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fa3 n GLN 118 N -1.31 -0.12 -1.99 0.11 6.02 -1.26 -1.95 117.38 116.88 3fa3 n GLN 118 Ca 0.16 -0.58 -0.28 0.00 -0.01 0.00 0.00 57.00 56.29 3fa3 n GLN 118 Cb 0.65 -0.30 0.08 0.00 1.02 0.00 0.00 30.24 31.69 3fa3 n GLN 118 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3fa3 s VAL 119 N -1.43 2.36 0.48 5.09 -7.23 -0.93 -4.29 120.40 114.45 3fa3 s VAL 119 Ca 0.19 0.01 0.15 0.00 -1.81 0.00 0.00 61.98 60.52 3fa3 s VAL 119 Cb -0.01 -3.09 0.23 0.00 0.56 0.00 0.00 36.38 34.07 3fa3 s VAL 119 CO 0.13 -0.11 2.07 -0.61 -0.31 0.00 0.00 175.10 176.26 3fa3 h GLN 120 N -0.86 0.00 -2.98 4.82 4.15 -1.95 -2.93 115.11 115.36 3fa3 h GLN 120 Ca -0.45 0.00 -0.74 0.00 0.77 0.00 0.00 58.65 58.23 3fa3 h GLN 120 Cb 1.31 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.88 3fa3 h GLN 120 CO 0.64 0.10 2.43 0.25 -1.93 0.00 0.00 178.83 180.31 3fa3 n THR 121 N -4.42 4.83 -1.62 2.39 -2.24 -1.26 -4.80 114.28 107.16 3fa3 n THR 121 Ca -0.03 -4.17 -0.30 0.00 -2.27 0.00 0.00 64.05 57.28 3fa3 n THR 121 Cb 0.17 -2.23 0.09 0.00 -2.10 0.00 0.00 70.33 66.27 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 -0.26 2.01 0.29 -0.78 0.00 -1.11 -4.80 119.74 115.08 3fa3 s LYS 122 Ca 0.50 0.52 0.05 0.00 0.00 0.00 0.00 55.97 57.04 3fa3 s LYS 122 Cb 0.15 -1.92 -0.06 0.00 0.00 0.00 0.00 37.83 36.00 3fa3 s LYS 122 CO -0.06 -1.64 0.01 -0.98 0.00 0.00 0.00 175.35 172.68 3fa3 s ARG 123 N -5.23 1.55 0.16 1.78 1.70 -1.26 -1.93 118.95 115.72 3fa3 s ARG 123 Ca 0.61 -1.82 -0.33 0.00 -0.47 0.00 0.00 55.73 53.72 3fa3 s ARG 123 Cb -0.14 -0.90 -0.16 0.00 -0.57 0.00 0.00 34.95 33.19 3fa3 s ARG 123 CO 0.53 -0.10 1.16 0.00 -1.08 0.00 0.00 175.30 175.81 3fa3 h GLY 125 N 3.38 0.00 -1.89 0.00 0.00 -1.99 -1.16 103.07 101.42 3fa3 h GLY 125 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3fa3 h GLY 125 CO 0.70 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.66 3fa3 n HIS 126 N -2.37 0.51 -2.97 5.60 8.25 -1.26 -4.81 115.22 118.17 3fa3 n HIS 126 Ca -0.00 -0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 56.89 3fa3 n HIS 126 Cb 0.11 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.36 3.91 0.63 2.41 1.43 -0.44 -4.85 118.68 120.42 3fa3 s LEU 127 Ca 0.37 1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 54.46 3fa3 s LEU 127 Cb 0.21 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 3fa3 s LEU 127 CO 0.29 -0.33 1.09 0.00 0.23 0.00 0.00 176.35 177.63 3fa3 s ALA 128 N -2.24 2.59 0.00 4.21 0.00 -1.26 -4.44 121.76 120.62 3fa3 s ALA 128 Ca 0.51 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3fa3 s ALA 128 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3fa3 s ALA 128 CO 0.27 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.37 3fa3 n GLY 129 N -0.66 1.45 3.56 0.00 0.00 -1.26 -5.01 105.19 103.27 3fa3 n GLY 129 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.18 0.70 -4.56 1.61 5.02 -1.26 -4.92 118.16 114.57 3fa3 n LYS 130 Ca 0.00 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.23 3fa3 n LYS 130 Cb 0.00 -1.99 -0.13 0.00 -0.02 0.00 0.00 35.03 32.89 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 -1.62 3.61 0.09 -0.18 1.01 -1.26 -4.99 121.20 117.86 3fa3 s ILE 131 Ca 0.73 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.98 3fa3 s ILE 131 Cb -0.42 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3fa3 s ILE 131 CO 0.50 0.52 -0.08 -0.76 0.00 0.00 0.00 174.94 175.12 3fa3 s LEU 132 N 0.11 3.13 0.43 2.97 1.43 -1.26 -2.18 118.68 123.30 3fa3 s LEU 132 Ca -0.03 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3fa3 s LEU 132 Cb -0.14 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3fa3 s LEU 132 CO 0.03 0.19 0.75 0.68 0.23 0.00 0.00 176.35 178.24 3fa3 s VAL 133 N -1.21 4.87 1.13 -1.59 -7.23 -0.82 -4.82 120.40 110.73 3fa3 s VAL 133 Ca 0.22 0.37 -0.12 0.00 -1.81 0.00 0.00 61.98 60.63 3fa3 s VAL 133 Cb -0.11 -3.79 0.27 0.00 0.56 0.00 0.00 36.38 33.30 3fa3 s VAL 133 CO 0.14 -0.65 1.05 1.51 -0.31 0.00 0.00 175.10 176.84 3fa3 s ASP 134 N -3.59 1.17 0.10 4.85 1.47 -1.26 -4.77 116.67 114.65 3fa3 s ASP 134 Ca 0.49 1.70 -0.20 0.00 1.18 0.00 0.00 52.55 55.71 3fa3 s ASP 134 Cb -0.10 -2.40 -0.09 0.00 -0.34 0.00 0.00 42.92 39.99 3fa3 s ASP 134 CO 0.37 -4.11 1.67 0.74 0.68 0.00 0.00 175.17 174.52 3fa3 h THR 135 N -2.56 1.13 -0.82 2.11 2.02 -1.97 -2.82 112.91 109.99 3fa3 h THR 135 Ca -0.58 -0.37 0.16 0.00 0.77 0.00 0.00 66.41 66.39 3fa3 h THR 135 Cb 1.32 1.03 -0.10 0.00 -1.74 0.00 0.00 68.15 68.66 3fa3 h THR 135 CO 0.48 0.12 0.37 0.44 0.37 0.00 0.00 175.52 177.30 3fa3 h ASP 136 N 0.18 0.38 -0.41 4.18 3.45 -1.99 0.18 116.42 122.39 3fa3 h ASP 136 Ca 0.06 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.53 3fa3 h ASP 136 Cb 0.11 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 3fa3 h ASP 136 CO -0.01 0.12 -0.15 0.74 -1.57 0.00 0.00 179.24 178.37 3fa3 h THR 137 N 0.50 1.28 0.01 0.35 2.02 -1.90 -1.06 112.91 114.10 3fa3 h THR 137 Ca 0.47 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 66.40 3fa3 h THR 137 Cb 0.74 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 3fa3 h THR 137 CO -0.42 0.43 -0.19 0.22 0.37 0.00 0.00 175.52 175.93 3fa3 h TYR 138 N 0.64 -0.49 0.00 3.16 3.20 -1.17 -2.76 116.97 119.56 3fa3 h TYR 138 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3fa3 h TYR 138 Cb 0.70 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 3fa3 h TYR 138 CO 0.05 -0.27 -0.02 0.28 -1.64 0.00 0.00 178.16 176.57 3fa3 h VAL 139 N -0.31 0.95 -0.16 1.81 2.07 -0.51 0.26 116.25 120.35 3fa3 h VAL 139 Ca 0.05 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 3fa3 h VAL 139 Cb 0.38 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3fa3 h VAL 139 CO -0.17 0.02 -0.18 0.74 0.02 0.00 0.00 177.57 178.00 3fa3 h THR 140 N 0.00 1.21 0.02 2.57 2.02 -0.91 -0.45 112.91 117.36 3fa3 h THR 140 Ca -0.00 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 3fa3 h THR 140 Cb 0.03 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3fa3 h THR 140 CO 0.00 0.30 -0.01 0.03 0.37 0.00 0.00 175.52 176.21 3fa3 h ARG 141 N 0.25 -0.02 -0.25 6.66 3.08 -0.34 -1.42 114.38 122.33 3fa3 h ARG 141 Ca 0.05 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3fa3 h ARG 141 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3fa3 h ARG 141 CO 0.03 0.32 0.13 0.82 -1.07 0.00 0.00 179.97 180.20 3fa3 h ILE 142 N -0.37 1.00 -0.65 2.04 1.08 -1.30 -1.54 117.51 117.76 3fa3 h ILE 142 Ca -0.00 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 3fa3 h ILE 142 Cb 0.35 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 3fa3 h ILE 142 CO 0.00 0.05 0.37 -0.09 -0.69 0.00 0.00 178.15 177.79 3fa3 h ARG 143 N 0.27 0.68 -0.28 2.37 2.43 -1.09 0.58 114.38 119.34 3fa3 h ARG 143 Ca 0.10 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3fa3 h ARG 143 Cb 0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3fa3 h ARG 143 CO -0.07 0.45 0.02 0.00 -1.51 0.00 0.00 179.97 178.86 3fa3 h ALA 144 N 1.33 1.51 -0.06 2.80 0.00 -0.33 -0.65 119.26 123.86 3fa3 h ALA 144 Ca 0.29 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3fa3 h ALA 144 Cb 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fa3 h ALA 144 CO -0.16 0.35 -0.66 0.00 0.00 0.00 0.00 179.25 178.78 3fa3 h ALA 145 N 1.62 0.16 0.64 0.00 0.00 -0.02 0.60 119.26 122.26 3fa3 h ALA 145 Ca 0.09 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3fa3 h ALA 145 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fa3 h ALA 145 CO 0.00 0.46 -0.41 0.28 0.00 0.00 0.00 179.25 179.59 3fa3 h VAL 146 N 0.15 0.18 -0.69 0.00 2.07 -0.99 0.23 116.25 117.20 3fa3 h VAL 146 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 3fa3 h VAL 146 Cb 1.33 0.18 -0.12 0.00 -1.52 0.00 0.00 31.29 31.15 3fa3 h VAL 146 CO 0.13 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.20 3fa3 h GLN 147 N -0.99 0.05 -0.07 1.57 4.20 -1.14 -1.73 115.11 117.00 3fa3 h GLN 147 Ca -0.08 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3fa3 h GLN 147 Cb 0.81 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 3fa3 h GLN 147 CO 0.08 0.03 0.01 0.00 -0.67 0.00 0.00 178.83 178.28 3fa3 h ALA 148 N 1.66 0.09 -0.94 3.87 0.00 -0.46 0.13 119.26 123.61 3fa3 h ALA 148 Ca 0.35 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.34 3fa3 h ALA 148 Cb 0.57 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.16 3fa3 h ALA 148 CO -0.65 -0.27 -0.15 -2.13 0.00 0.00 0.00 179.25 176.05 3fa3 n ARG 149 N -4.90 -0.08 0.09 0.00 0.63 0.77 -2.87 116.66 110.30 3fa3 n ARG 149 Ca -0.06 1.44 -0.23 0.00 -0.92 0.00 0.00 57.85 58.08 3fa3 n ARG 149 Cb 0.15 -2.20 -0.15 0.00 0.45 0.00 0.00 32.46 30.71 3fa3 n ARG 149 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3fa3 h GLN 150 N 0.00 0.42 -0.96 -0.14 4.20 0.10 0.20 115.11 118.92 3fa3 h GLN 150 Ca 0.49 -0.72 0.18 0.00 0.06 0.00 0.00 58.65 58.66 3fa3 h GLN 150 Cb 0.86 0.27 -0.09 0.00 0.30 0.00 0.00 27.48 28.82 3fa3 h GLN 150 CO -0.94 1.35 0.61 -0.09 -0.67 0.00 0.00 178.83 179.08 3fa3 h ARG 151 N 0.04 0.66 -0.05 1.46 2.43 -0.93 -2.33 114.38 115.66 3fa3 h ARG 151 Ca -0.30 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3fa3 h ARG 151 Cb 2.05 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 3fa3 h ARG 151 CO 0.20 0.44 0.00 0.44 -1.51 0.00 0.00 179.97 179.53 3fa3 n ILE 152 N -4.64 0.03 -2.33 1.20 -5.35 -1.14 -4.98 119.36 102.16 3fa3 n ILE 152 Ca 0.21 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 3fa3 n ILE 152 Cb 0.57 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 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 1.32 0.01 3.82 3.28 0.00 -0.88 -5.01 105.19 107.72 3fa3 n GLY 153 Ca 0.15 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.65 6.98 0.00 1.61 0.15 0.64 -4.97 113.70 115.46 3fa3 s SER 154 Ca 0.05 1.38 0.21 0.00 0.70 0.00 0.00 55.95 58.28 3fa3 s SER 154 Cb -0.02 -2.41 0.56 0.00 -1.71 0.00 0.00 66.02 62.44 3fa3 s SER 154 CO 0.06 -0.03 1.45 0.47 1.20 0.00 0.00 173.24 176.40 3fa3 n ASP 155 N 0.45 2.56 -4.70 5.45 8.00 -1.26 -4.69 116.55 122.35 3fa3 n ASP 155 Ca -0.01 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.19 3fa3 n ASP 155 Cb 0.52 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ILE 156 N 0.90 2.02 -2.92 0.53 3.06 -1.26 -4.59 119.36 117.09 3fa3 n ILE 156 Ca 0.17 -0.50 -0.41 0.00 -2.50 0.00 0.00 62.75 59.51 3fa3 n ILE 156 Cb 0.46 -1.58 -0.04 0.00 0.54 0.00 0.00 39.64 39.02 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N -1.10 4.93 -0.25 9.51 1.01 0.24 -4.95 120.40 129.78 3fa3 s VAL 157 Ca 0.55 1.61 -0.18 0.00 0.00 0.00 0.00 61.98 63.96 3fa3 s VAL 157 Cb -0.57 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3fa3 s VAL 157 CO 0.62 0.10 0.51 -0.69 0.00 0.00 0.00 175.10 175.65 3fa3 s VAL 158 N 1.68 5.08 -0.31 2.92 1.01 -1.26 -1.89 120.40 127.63 3fa3 s VAL 158 Ca 0.39 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 3fa3 s VAL 158 Cb -0.17 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3fa3 s VAL 158 CO 0.15 0.10 0.05 -0.63 0.00 0.00 0.00 175.10 174.77 3fa3 s ILE 159 N 2.19 3.43 -0.26 2.22 1.01 -0.11 0.61 121.20 130.29 3fa3 s ILE 159 Ca 0.22 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3fa3 s ILE 159 Cb -0.16 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.41 3fa3 s ILE 159 CO 0.09 -0.09 1.12 0.00 0.00 0.00 0.00 174.94 176.06 3fa3 s ALA 160 N 1.35 3.58 0.04 9.38 0.00 -0.21 -1.26 121.76 134.64 3fa3 s ALA 160 Ca -0.02 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3fa3 s ALA 160 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3fa3 s ALA 160 CO 0.01 -1.30 -0.04 0.50 0.00 0.00 0.00 175.76 174.93 3fa3 s ARG 161 N 3.51 2.55 -0.00 0.00 3.52 0.62 -1.31 118.95 127.84 3fa3 s ARG 161 Ca 0.48 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 3fa3 s ARG 161 Cb -0.15 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3fa3 s ARG 161 CO 0.13 0.58 -0.14 -0.08 -0.81 0.00 0.00 175.30 174.98 3fa3 s THR 162 N -1.13 1.09 -0.93 4.11 -1.32 -0.54 -3.53 115.64 113.40 3fa3 s THR 162 Ca 0.20 -0.66 0.10 0.00 -1.21 0.00 0.00 61.69 60.12 3fa3 s THR 162 Cb -0.11 -0.92 0.28 0.00 -1.51 0.00 0.00 72.50 70.23 3fa3 s THR 162 CO 0.12 0.25 1.21 0.47 -2.21 0.00 0.00 174.62 174.46 3fa3 n ASP 163 N 2.59 2.81 0.01 8.08 8.00 -1.26 -2.11 116.55 134.67 3fa3 n ASP 163 Ca -0.15 -1.95 0.05 0.00 0.71 0.00 0.00 54.79 53.45 3fa3 n ASP 163 Cb 0.55 -0.20 0.24 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.49 0.04 -0.05 -2.24 3.41 -1.26 -3.89 113.62 110.12 3fa3 n SER 164 Ca 0.11 0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 59.13 3fa3 n SER 164 Cb 0.41 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.25 -0.52 1.04 5.85 -1.84 0.42 115.31 120.51 3fa3 h LEU 165 Ca 0.00 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3fa3 h LEU 165 Cb 0.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3fa3 h LEU 165 CO 0.00 0.19 -0.21 0.06 -0.34 0.00 0.00 178.44 178.14 3fa3 h GLN 166 N 0.29 0.98 0.07 1.25 3.07 -1.93 0.04 115.11 118.88 3fa3 h GLN 166 Ca 0.08 -0.41 -0.36 0.00 0.09 0.00 0.00 58.65 58.05 3fa3 h GLN 166 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.47 3fa3 h GLN 166 CO -0.02 1.09 -2.04 0.25 0.09 0.00 0.00 178.83 178.20 3fa3 n THR 167 N -4.11 1.67 0.22 1.86 -2.24 -1.14 -4.57 114.28 105.96 3fa3 n THR 167 Ca 0.00 -0.53 0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3fa3 n THR 167 Cb 0.45 -1.72 -0.14 0.00 -2.10 0.00 0.00 70.33 66.83 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 -3.63 0.00 0.00 4.78 8.25 0.14 -5.11 115.22 119.66 3fa3 n HIS 168 Ca -0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3fa3 n HIS 168 Cb 0.97 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 1.43 -0.73 0.27 -1.41 0.00 0.00 -4.56 105.19 100.20 3fa3 n GLY 169 Ca -0.02 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3fa3 n GLY 169 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fa3 n TYR 170 N -0.44 0.18 0.10 1.61 9.36 -1.26 -2.07 117.16 124.65 3fa3 n TYR 170 Ca 0.00 0.91 -0.23 0.00 3.32 0.00 0.00 57.90 61.90 3fa3 n TYR 170 Cb 0.00 -0.88 -0.15 0.00 -0.63 0.00 0.00 39.34 37.68 3fa3 n TYR 170 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3fa3 h GLU 171 N 0.00 0.42 -0.96 2.98 4.39 -1.97 -2.19 114.58 117.26 3fa3 h GLU 171 Ca 0.32 -0.72 0.17 0.00 0.34 0.00 0.00 59.36 59.47 3fa3 h GLU 171 Cb 0.51 0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 29.34 3fa3 h GLU 171 CO -0.75 1.35 0.61 1.49 -1.16 0.00 0.00 179.01 180.54 3fa3 h GLU 172 N -0.11 0.68 0.81 2.33 4.57 -1.66 -0.98 114.58 120.23 3fa3 h GLU 172 Ca -0.21 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3fa3 h GLU 172 Cb 1.92 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 30.35 3fa3 h GLU 172 CO 0.21 0.45 -0.48 0.77 -1.18 0.00 0.00 179.01 178.78 3fa3 h SER 173 N 0.70 -1.21 -0.51 1.04 0.02 -0.93 -0.69 113.55 111.96 3fa3 h SER 173 Ca 0.51 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.63 3fa3 h SER 173 Cb 0.87 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 3fa3 h SER 173 CO -0.28 -0.76 -0.21 0.58 -1.14 0.00 0.00 176.83 175.03 3fa3 h VAL 174 N -1.21 0.36 -0.83 2.27 2.07 -1.39 -1.15 116.25 116.36 3fa3 h VAL 174 Ca -0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.59 3fa3 h VAL 174 Cb 0.97 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.98 3fa3 h VAL 174 CO 0.12 0.00 0.34 0.00 0.02 0.00 0.00 177.57 178.05 3fa3 h ALA 175 N 1.29 1.23 -0.43 1.67 0.00 -0.76 0.36 119.26 122.62 3fa3 h ALA 175 Ca 0.24 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 175 Cb 0.46 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3fa3 h ALA 175 CO -0.57 -0.27 -0.24 0.00 0.00 0.00 0.00 179.25 178.17 3fa3 h ARG 176 N 0.42 0.89 -0.23 0.00 3.08 -0.03 -1.70 114.38 116.82 3fa3 h ARG 176 Ca 0.49 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3fa3 h ARG 176 Cb 0.84 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3fa3 h ARG 176 CO -0.48 1.03 0.00 -0.07 -1.07 0.00 0.00 179.97 179.39 3fa3 h LEU 177 N 0.77 0.39 -1.07 3.04 3.38 -0.08 -1.79 115.31 119.96 3fa3 h LEU 177 Ca 0.10 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3fa3 h LEU 177 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3fa3 h LEU 177 CO 0.07 0.60 0.01 0.03 0.09 0.00 0.00 178.44 179.24 3fa3 h ARG 178 N 0.17 0.68 -0.11 1.13 3.08 -0.93 0.94 114.38 119.34 3fa3 h ARG 178 Ca 0.06 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.99 3fa3 h ARG 178 Cb 0.40 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3fa3 h ARG 178 CO 0.01 0.68 0.08 0.00 -1.07 0.00 0.00 179.97 179.68 3fa3 h ALA 179 N 1.38 2.10 0.03 0.04 0.00 -0.98 -1.14 119.26 120.68 3fa3 h ALA 179 Ca 0.13 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 3fa3 h ALA 179 Cb 0.38 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3fa3 h ALA 179 CO 0.01 -0.13 -1.63 0.00 0.00 0.00 0.00 179.25 177.50 3fa3 h ALA 180 N 1.94 0.61 -0.69 0.00 0.00 -0.03 -3.11 119.26 117.99 3fa3 h ALA 180 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.62 3fa3 h ALA 180 Cb 0.20 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3fa3 h ALA 180 CO -0.00 1.45 0.43 -0.09 0.00 0.00 0.00 179.25 181.05 3fa3 h ARG 181 N 0.02 0.93 0.00 0.00 2.43 -0.75 -1.54 114.38 115.46 3fa3 h ARG 181 Ca -0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3fa3 h ARG 181 Cb 1.99 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3fa3 h ARG 181 CO 0.10 0.64 0.00 -0.44 -1.51 0.00 0.00 179.97 178.76 3fa3 h ASP 182 N 0.94 0.00 -0.30 -3.80 5.19 -1.24 -0.53 116.42 116.67 3fa3 h ASP 182 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3fa3 h ASP 182 Cb -0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3fa3 h ASP 182 CO -0.05 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.07 3fa3 n ALA 183 N -1.99 2.46 0.00 3.45 0.00 -0.62 -4.94 120.51 118.87 3fa3 n ALA 183 Ca 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3fa3 n ALA 183 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.31 1.03 3.78 0.00 0.00 -0.21 -4.56 105.19 106.54 3fa3 n GLY 184 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 2.99 -0.11 4.61 0.00 -0.95 -4.91 121.76 121.39 3fa3 s ALA 185 Ca 0.00 0.83 0.15 0.00 0.00 0.00 0.00 51.96 52.94 3fa3 s ALA 185 Cb 0.00 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 3fa3 s ALA 185 CO 0.00 -0.49 1.00 -0.44 0.00 0.00 0.00 175.76 175.83 3fa3 h ASP 186 N 2.13 0.00 -3.81 0.00 3.32 -0.18 -3.44 116.42 114.44 3fa3 h ASP 186 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.42 3fa3 h ASP 186 Cb 1.24 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.54 3fa3 h ASP 186 CO 0.61 0.61 -0.32 -0.69 -1.72 0.00 0.00 179.24 177.73 3fa3 s VAL 187 N -2.90 -0.00 0.18 -1.35 1.01 -0.97 -4.46 120.40 111.91 3fa3 s VAL 187 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3fa3 s VAL 187 Cb 0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 36.38 35.91 3fa3 s VAL 187 CO 0.80 0.00 0.52 -0.83 0.00 0.00 0.00 175.10 175.59 3fa3 s GLY 188 N 0.28 2.35 -0.34 4.51 0.00 -0.73 -1.05 107.32 112.33 3fa3 s GLY 188 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.47 3fa3 s GLY 188 CO -0.00 -0.06 0.30 -0.12 0.00 0.00 0.00 173.10 173.22 3fa3 s PHE 189 N -1.64 -0.06 -1.03 1.90 5.99 -0.43 -0.44 117.98 122.28 3fa3 s PHE 189 Ca 0.42 -0.86 -0.19 0.00 0.00 0.00 0.00 56.93 56.30 3fa3 s PHE 189 Cb -0.13 -0.57 0.10 0.00 0.00 0.00 0.00 43.02 42.42 3fa3 s PHE 189 CO 0.20 -0.92 1.33 -1.17 -0.00 0.00 0.00 175.22 174.66 3fa3 s LEU 190 N 1.62 4.44 0.33 6.12 0.20 -1.26 -1.46 118.68 128.67 3fa3 s LEU 190 Ca 0.15 -2.02 -0.26 0.00 0.69 0.00 0.00 54.13 52.69 3fa3 s LEU 190 Cb -0.17 -2.47 -0.13 0.00 -0.43 0.00 0.00 46.19 42.99 3fa3 s LEU 190 CO -0.12 -1.17 0.89 1.21 -0.29 0.00 0.00 176.35 176.87 3fa3 n GLU 191 N 7.35 1.12 -4.40 1.98 4.07 -0.89 -2.67 120.64 127.20 3fa3 n GLU 191 Ca 0.31 0.40 -0.37 0.00 -0.06 0.00 0.00 57.16 57.43 3fa3 n GLU 191 Cb 0.49 -1.76 -0.08 0.00 -0.06 0.00 0.00 31.44 30.03 3fa3 n GLU 191 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fa3 n GLY 192 N 1.36 -0.31 2.90 8.31 0.00 -1.26 -4.81 105.19 111.38 3fa3 n GLY 192 Ca 0.10 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.28 1.59 0.15 -0.61 5.41 -1.09 -4.72 119.36 115.80 3fa3 n ILE 193 Ca -0.05 -0.43 0.06 0.00 1.00 0.00 0.00 62.75 63.34 3fa3 n ILE 193 Cb 0.54 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.39 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3fa3 n THR 194 N -0.09 0.00 -3.84 1.39 -2.24 -1.26 -3.82 114.28 104.42 3fa3 n THR 194 Ca 0.15 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 3fa3 n THR 194 Cb 0.23 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.04 0.02 0.59 3.42 1.04 -1.26 -4.41 113.70 110.05 3fa3 s SER 195 Ca -0.02 -0.32 0.33 0.00 0.48 0.00 0.00 55.95 56.42 3fa3 s SER 195 Cb 0.08 0.28 1.83 0.00 0.10 0.00 0.00 66.02 68.32 3fa3 s SER 195 CO 0.50 -0.53 2.21 0.03 0.98 0.00 0.00 173.24 176.42 3fa3 h ARG 196 N 3.56 0.00 0.00 4.02 3.08 -1.95 -0.13 114.38 122.96 3fa3 h ARG 196 Ca -0.32 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 3fa3 h ARG 196 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3fa3 h ARG 196 CO 0.47 0.04 -0.84 1.05 -1.07 0.00 0.00 179.97 179.61 3fa3 h GLU 197 N 0.00 0.00 0.04 0.04 4.11 -1.99 -2.61 114.58 114.17 3fa3 h GLU 197 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fa3 h GLU 197 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fa3 h GLU 197 CO 0.00 0.25 -0.02 1.98 0.07 0.00 0.00 179.01 181.30 3fa3 h MET 198 N 0.00 -0.05 -0.66 1.06 4.05 -1.64 0.79 114.93 118.49 3fa3 h MET 198 Ca -0.06 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.43 3fa3 h MET 198 Cb 1.31 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 32.05 3fa3 h MET 198 CO 0.04 0.07 -0.39 0.00 0.23 0.00 0.00 176.91 176.86 3fa3 n ALA 199 N -2.17 -0.42 0.17 0.39 0.00 -0.18 0.40 120.51 118.70 3fa3 n ALA 199 Ca -0.08 0.56 0.03 0.00 0.00 0.00 0.00 53.44 53.95 3fa3 n ALA 199 Cb 0.09 -0.07 0.26 0.00 0.00 0.00 0.00 19.45 19.73 3fa3 n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ARG 200 N 0.00 0.00 -0.45 0.00 3.08 -1.38 -2.98 114.38 112.65 3fa3 h ARG 200 Ca 0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 3fa3 h ARG 200 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3fa3 h ARG 200 CO -0.62 0.46 -0.23 0.37 -1.07 0.00 0.00 179.97 178.88 3fa3 h GLN 201 N 0.00 0.93 -0.01 0.04 5.75 0.25 -3.04 115.11 119.03 3fa3 h GLN 201 Ca -0.00 -0.40 -0.13 0.00 -0.15 0.00 0.00 58.65 57.96 3fa3 h GLN 201 Cb 1.01 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3fa3 h GLN 201 CO 0.06 1.06 -0.62 -0.24 -2.65 0.00 0.00 178.83 176.44 3fa3 h VAL 202 N 0.80 1.44 -0.08 2.39 3.04 -0.55 0.29 116.25 123.58 3fa3 h VAL 202 Ca 0.10 -2.11 -0.18 0.00 -1.01 0.00 0.00 66.70 63.50 3fa3 h VAL 202 Cb 0.80 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 32.20 3fa3 h VAL 202 CO 0.07 0.61 -0.71 0.40 -1.01 0.00 0.00 177.57 176.93 3fa3 h ILE 203 N 0.02 1.38 0.00 3.17 2.04 -1.44 -1.39 117.51 121.29 3fa3 h ILE 203 Ca -0.01 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3fa3 h ILE 203 Cb 1.10 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3fa3 h ILE 203 CO 0.08 0.64 -0.53 0.06 0.00 0.00 0.00 178.15 178.40 3fa3 h GLN 204 N 0.26 0.00 -0.07 2.37 3.07 -1.47 -3.17 115.11 116.10 3fa3 h GLN 204 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.58 3fa3 h GLN 204 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.82 3fa3 h GLN 204 CO 0.12 0.00 -0.54 -0.44 0.09 0.00 0.00 178.83 178.05 3fa3 h ASP 205 N 0.00 0.23 -2.24 0.06 5.19 -0.12 -3.21 116.42 116.33 3fa3 h ASP 205 Ca 0.00 -0.12 -0.58 0.00 -0.62 0.00 0.00 57.03 55.71 3fa3 h ASP 205 Cb 0.95 -0.07 -0.42 0.00 0.18 0.00 0.00 39.33 39.97 3fa3 h ASP 205 CO 0.00 0.73 -0.68 0.18 -3.12 0.00 0.00 179.24 176.35 3fa3 n LEU 206 N -3.91 3.96 -4.82 1.55 4.32 -0.60 -5.07 117.00 112.41 3fa3 n LEU 206 Ca -0.02 -5.56 -0.32 0.00 -0.02 0.00 0.00 56.01 50.09 3fa3 n LEU 206 Cb 0.57 -0.45 -0.01 0.00 -1.62 0.00 0.00 43.42 41.91 3fa3 n LEU 206 CO 0.43 2.28 0.70 0.00 -1.22 0.00 0.00 177.39 179.59 3fa3 s ALA 207 N -3.13 2.91 0.00 -1.18 0.00 -1.20 -2.36 121.76 116.80 3fa3 s ALA 207 Ca 0.46 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3fa3 s ALA 207 Cb 0.26 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3fa3 s ALA 207 CO -0.11 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3fa3 n GLY 208 N -1.35 2.68 3.61 0.00 0.00 -1.26 -5.01 105.19 103.86 3fa3 n GLY 208 Ca 0.08 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.31 3.26 0.25 1.61 -0.00 -1.00 -5.04 118.94 116.70 3fa3 s TRP 209 Ca 0.00 0.29 -0.31 0.00 -0.00 0.00 0.00 56.10 56.08 3fa3 s TRP 209 Cb 0.00 -2.45 -0.13 0.00 -0.00 0.00 0.00 33.47 30.90 3fa3 s TRP 209 CO 0.00 -0.14 1.52 -2.30 -0.00 0.00 0.00 176.95 176.03 3fa3 n PRO 210 N 4.99 2.33 -4.86 5.86 -0.02 -1.26 -4.76 135.00 137.28 3fa3 n PRO 210 Ca -0.12 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 3fa3 n PRO 210 Cb 0.51 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 0.09 2.42 -0.14 2.45 1.43 -1.26 -1.78 118.68 121.88 3fa3 s LEU 211 Ca 0.69 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3fa3 s LEU 211 Cb -0.59 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3fa3 s LEU 211 CO 0.46 0.28 0.04 -0.22 0.23 0.00 0.00 176.35 177.14 3fa3 s LEU 212 N -1.15 3.72 -0.21 1.79 0.20 0.41 -0.26 118.68 123.18 3fa3 s LEU 212 Ca 0.13 0.11 -0.11 0.00 0.69 0.00 0.00 54.13 54.94 3fa3 s LEU 212 Cb -0.10 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 3fa3 s LEU 212 CO 0.03 0.26 0.20 -0.22 -0.29 0.00 0.00 176.35 176.33 3fa3 s LEU 213 N -0.17 4.18 -0.59 -0.68 2.96 0.12 -4.34 118.68 120.17 3fa3 s LEU 213 Ca 0.06 0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 3fa3 s LEU 213 Cb -0.12 -2.19 0.12 0.00 0.50 0.00 0.00 46.19 44.50 3fa3 s LEU 213 CO 0.02 0.10 0.63 0.21 -1.32 0.00 0.00 176.35 175.99 3fa3 s ASN 214 N 0.69 6.22 -1.20 3.68 2.47 -1.26 -0.66 114.94 124.88 3fa3 s ASN 214 Ca 0.10 -1.64 -0.07 0.00 0.42 0.00 0.00 52.86 51.67 3fa3 s ASN 214 Cb -0.13 -2.26 0.23 0.00 -1.45 0.00 0.00 41.25 37.64 3fa3 s ASN 214 CO 0.02 -0.99 1.70 0.80 -3.72 0.00 0.00 177.10 174.91 3fa3 n MET 215 N 5.81 3.96 -3.04 0.43 0.00 0.15 -4.84 117.12 119.60 3fa3 n MET 215 Ca -0.10 -3.96 -0.40 0.00 -0.00 0.00 0.00 57.70 53.24 3fa3 n MET 215 Cb 0.42 -2.76 -0.05 0.00 0.00 0.00 0.00 33.22 30.83 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 -0.89 4.99 0.40 1.12 1.01 -1.26 -4.49 120.40 121.27 3fa3 s VAL 216 Ca 0.36 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 3fa3 s VAL 216 Cb 0.07 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 3fa3 s VAL 216 CO 0.04 0.13 0.78 -1.61 0.00 0.00 0.00 175.10 174.45 3fa3 s GLU 217 N 1.66 3.84 -1.38 2.72 2.02 -1.26 -4.44 118.70 121.85 3fa3 s GLU 217 Ca 0.33 0.55 -0.00 0.00 0.02 0.00 0.00 54.97 55.88 3fa3 s GLU 217 Cb -0.16 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3fa3 s GLU 217 CO 0.13 -0.02 0.03 0.72 0.02 0.00 0.00 175.26 176.14 3fa3 n HIS 218 N -1.14 -1.27 0.00 1.61 8.25 -1.26 -4.88 115.22 116.53 3fa3 n HIS 218 Ca 0.03 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3fa3 n HIS 218 Cb 0.54 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.32 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 -0.92 0.96 0.07 -1.41 0.00 -1.26 -5.02 105.19 97.60 3fa3 n GLY 219 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 2.47 -2.97 4.61 0.00 -1.26 -4.93 120.51 115.43 3fa3 n ALA 220 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 3fa3 n ALA 220 Cb 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.29 4.21 0.69 0.00 2.01 -1.25 -4.25 115.64 113.76 3fa3 s THR 221 Ca -0.05 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 3fa3 s THR 221 Cb 0.11 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.74 3fa3 s THR 221 CO 0.85 0.44 1.25 -2.16 -0.69 0.00 0.00 174.62 174.31 3fa3 s PRO 222 N 0.72 2.35 -0.43 4.92 0.04 -1.26 -4.51 135.00 136.82 3fa3 s PRO 222 Ca 0.01 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 3fa3 s PRO 222 Cb -0.14 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3fa3 s PRO 222 CO 0.02 -1.71 1.82 -1.12 0.04 0.00 0.00 177.00 176.05 3fa3 s SER 223 N -1.71 5.67 -0.06 6.66 0.01 -1.26 -4.98 113.70 118.03 3fa3 s SER 223 Ca 0.78 0.96 0.04 0.00 1.31 0.00 0.00 55.95 59.04 3fa3 s SER 223 Cb -0.33 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.35 3fa3 s SER 223 CO 0.42 -1.94 -0.18 -0.63 0.41 0.00 0.00 173.24 171.31 3fa3 s ILE 224 N 7.67 2.67 0.52 1.44 1.01 -1.26 -5.15 121.20 128.10 3fa3 s ILE 224 Ca 0.75 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 3fa3 s ILE 224 Cb -0.19 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.26 3fa3 s ILE 224 CO 0.29 0.57 0.78 -0.94 0.00 0.00 0.00 174.94 175.65 3fa3 s SER 225 N -0.37 5.69 0.16 3.58 1.04 -1.26 -4.88 113.70 117.66 3fa3 s SER 225 Ca 0.03 0.46 -0.15 0.00 0.48 0.00 0.00 55.95 56.77 3fa3 s SER 225 Cb -0.12 -1.57 0.08 0.00 0.10 0.00 0.00 66.02 64.51 3fa3 s SER 225 CO 0.02 -0.89 1.75 0.00 0.98 0.00 0.00 173.24 175.10 3fa3 h ALA 226 N 0.12 0.46 0.01 5.32 0.00 -2.00 1.22 119.26 124.38 3fa3 h ALA 226 Ca -0.46 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3fa3 h ALA 226 Cb 1.26 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3fa3 h ALA 226 CO 0.59 -0.25 -0.52 0.00 0.00 0.00 0.00 179.25 179.07 3fa3 h ALA 227 N 1.25 -0.91 -1.01 0.00 0.00 -1.99 0.34 119.26 116.94 3fa3 h ALA 227 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 227 Cb 0.16 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3fa3 h ALA 227 CO -0.18 -1.09 0.67 1.49 0.00 0.00 0.00 179.25 180.13 3fa3 h GLU 228 N -0.67 1.30 -0.12 0.00 4.81 -1.74 -1.25 114.58 116.91 3fa3 h GLU 228 Ca 0.02 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3fa3 h GLU 228 Cb 0.72 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3fa3 h GLU 228 CO -0.35 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 3fa3 h ALA 229 N 1.38 0.17 0.02 2.92 0.00 0.17 -0.09 119.26 123.83 3fa3 h ALA 229 Ca 0.38 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 229 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3fa3 h ALA 229 CO -0.10 -0.14 -0.39 -0.22 0.00 0.00 0.00 179.25 178.40 3fa3 h LYS 230 N -0.05 -0.54 -0.58 0.00 3.64 0.34 -1.78 116.57 117.60 3fa3 h LYS 230 Ca 0.04 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 3fa3 h LYS 230 Cb 0.36 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 3fa3 h LYS 230 CO 0.01 -0.36 -0.03 1.49 -2.27 0.00 0.00 179.45 178.29 3fa3 h GLU 231 N -0.56 0.09 -0.83 1.90 4.57 -1.17 0.11 114.58 118.69 3fa3 h GLU 231 Ca 0.05 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.36 3fa3 h GLU 231 Cb 0.64 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 3fa3 h GLU 231 CO -0.29 0.06 0.54 0.52 -1.18 0.00 0.00 179.01 178.66 3fa3 h MET 232 N 0.09 0.58 0.00 1.92 2.86 -0.23 -3.46 114.93 116.70 3fa3 h MET 232 Ca 0.30 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3fa3 h MET 232 Cb 0.47 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3fa3 h MET 232 CO -0.51 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.25 3fa3 n GLY 233 N -1.47 1.86 3.80 8.32 0.00 0.40 -4.91 105.19 113.20 3fa3 n GLY 233 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3fa3 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 234 N -2.00 3.04 -0.13 1.61 0.40 -1.03 -4.69 117.98 115.17 3fa3 s PHE 234 Ca 0.00 1.57 0.17 0.00 -0.60 0.00 0.00 56.93 58.06 3fa3 s PHE 234 Cb 0.00 -3.03 -0.24 0.00 0.51 0.00 0.00 43.02 40.27 3fa3 s PHE 234 CO 0.00 -0.79 0.38 0.54 0.70 0.00 0.00 175.22 176.05 3fa3 n ARG 235 N -1.11 0.66 -3.80 0.44 5.12 0.64 -4.66 116.66 113.96 3fa3 n ARG 235 Ca 0.09 0.10 -0.14 0.00 -1.93 0.00 0.00 57.85 55.97 3fa3 n ARG 235 Cb 0.53 -1.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.04 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 -2.67 -0.04 -0.10 0.55 1.01 -0.87 -1.51 121.20 117.57 3fa3 s ILE 236 Ca -0.07 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3fa3 s ILE 236 Cb 0.08 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.45 3fa3 s ILE 236 CO 0.83 0.06 -0.20 -0.51 0.00 0.00 0.00 174.94 175.12 3fa3 s ILE 237 N 0.72 2.41 0.27 2.92 2.07 0.18 0.14 121.20 129.92 3fa3 s ILE 237 Ca -0.06 -0.90 0.11 0.00 -1.41 0.00 0.00 60.65 58.40 3fa3 s ILE 237 Cb -0.08 -1.95 -0.05 0.00 0.13 0.00 0.00 42.46 40.51 3fa3 s ILE 237 CO -0.02 0.55 -0.19 0.27 -1.91 0.00 0.00 174.94 173.63 3fa3 s ILE 238 N 0.26 2.38 -0.45 2.00 -4.36 0.17 -1.10 121.20 120.10 3fa3 s ILE 238 Ca -0.14 -2.38 0.03 0.00 -0.26 0.00 0.00 60.65 57.90 3fa3 s ILE 238 Cb -0.17 -2.27 0.16 0.00 1.25 0.00 0.00 42.46 41.44 3fa3 s ILE 238 CO 0.07 -0.43 0.34 -0.36 0.24 0.00 0.00 174.94 174.80 3fa3 s PHE 239 N -2.57 1.51 0.45 1.37 0.40 -1.00 0.30 117.98 118.44 3fa3 s PHE 239 Ca 0.29 -2.41 0.30 0.00 -0.60 0.00 0.00 56.93 54.51 3fa3 s PHE 239 Cb -0.04 -1.28 1.39 0.00 0.51 0.00 0.00 43.02 43.59 3fa3 s PHE 239 CO 0.14 -0.78 1.68 -1.35 0.70 0.00 0.00 175.22 175.61 3fa3 h PRO 240 N 5.87 0.14 -0.42 0.24 0.11 -1.88 0.51 132.00 136.58 3fa3 h PRO 240 Ca 0.20 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.13 3fa3 h PRO 240 Cb 0.89 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.87 3fa3 h PRO 240 CO 0.42 0.09 0.04 1.19 -0.21 0.00 0.00 178.00 179.54 3fa3 n PHE 241 N -4.54 1.34 0.26 0.65 0.99 -1.26 -4.46 117.46 110.43 3fa3 n PHE 241 Ca 0.33 -1.41 0.15 0.00 -0.00 0.00 0.00 57.45 56.52 3fa3 n PHE 241 Cb 1.32 -0.50 0.62 0.00 -1.00 0.00 0.00 39.48 39.92 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3fa3 h ALA 242 N 1.31 1.03 0.00 4.37 0.00 -1.57 -2.70 119.26 121.71 3fa3 h ALA 242 Ca 0.21 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 3fa3 h ALA 242 Cb 1.77 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 3fa3 h ALA 242 CO 0.44 0.11 -2.05 0.00 0.00 0.00 0.00 179.25 177.75 3fa3 n ALA 243 N -2.15 1.72 0.24 0.00 0.00 -1.24 -4.69 120.51 114.39 3fa3 n ALA 243 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 3fa3 n ALA 243 Cb 0.34 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.47 -1.18 -0.11 0.00 6.46 -1.81 -2.21 115.31 116.00 3fa3 h LEU 244 Ca -0.46 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.44 3fa3 h LEU 244 Cb 1.48 0.39 -0.06 0.00 -0.73 0.00 0.00 40.66 41.75 3fa3 h LEU 244 CO -0.22 -0.56 -0.25 1.23 -0.62 0.00 0.00 178.44 178.02 3fa3 h GLY 245 N -0.84 -0.29 1.99 3.75 0.00 -1.79 -0.93 103.07 104.97 3fa3 h GLY 245 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3fa3 h GLY 245 CO -0.06 -0.20 0.00 -2.55 0.00 0.00 0.00 176.54 173.72 3fa3 h PRO 246 N -0.33 0.00 0.12 4.80 0.11 -1.77 -1.12 132.00 133.81 3fa3 h PRO 246 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3fa3 h PRO 246 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3fa3 h PRO 246 CO -0.30 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 177.44 3fa3 h ALA 247 N 2.00 -0.16 -0.71 -0.75 0.00 -0.69 -1.67 119.26 117.28 3fa3 h ALA 247 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 247 Cb 0.01 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 3fa3 h ALA 247 CO -0.00 -0.35 -0.41 0.28 0.00 0.00 0.00 179.25 178.77 3fa3 h VAL 248 N -0.65 0.08 -0.35 0.00 2.07 -0.30 -0.42 116.25 116.68 3fa3 h VAL 248 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 3fa3 h VAL 248 Cb 0.50 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3fa3 h VAL 248 CO 0.03 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.49 3fa3 h ALA 249 N 0.89 1.13 -0.17 1.67 0.00 -1.19 0.13 119.26 121.71 3fa3 h ALA 249 Ca 0.23 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 249 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fa3 h ALA 249 CO -0.78 0.55 -0.53 0.00 0.00 0.00 0.00 179.25 178.49 3fa3 h ALA 250 N 1.30 0.75 0.03 0.00 0.00 -0.79 -2.65 119.26 117.90 3fa3 h ALA 250 Ca 0.10 -0.50 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 3fa3 h ALA 250 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fa3 h ALA 250 CO 0.03 0.68 -1.00 0.52 0.00 0.00 0.00 179.25 179.49 3fa3 h MET 251 N 0.39 0.39 0.08 0.00 2.86 -0.34 -2.48 114.93 115.84 3fa3 h MET 251 Ca 0.01 -0.46 0.01 0.00 -2.06 0.00 0.00 59.70 57.20 3fa3 h MET 251 Cb 1.06 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3fa3 h MET 251 CO 0.10 1.13 -0.10 -0.09 1.06 0.00 0.00 176.91 179.01 3fa3 h ARG 252 N 0.21 -0.20 0.00 1.72 2.43 -0.71 0.15 114.38 117.97 3fa3 h ARG 252 Ca -0.09 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3fa3 h ARG 252 Cb 1.65 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.24 3fa3 h ARG 252 CO 0.17 -0.14 -0.31 1.49 -1.51 0.00 0.00 179.97 179.68 3fa3 h GLU 253 N -0.21 0.00 0.00 0.20 4.22 -1.50 -2.46 114.58 114.83 3fa3 h GLU 253 Ca 0.01 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.24 3fa3 h GLU 253 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3fa3 h GLU 253 CO -0.05 0.31 -1.03 0.00 -2.18 0.00 0.00 179.01 176.06 3fa3 h ALA 254 N 1.69 0.41 0.00 2.92 0.00 -1.01 -2.77 119.26 120.50 3fa3 h ALA 254 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 54.91 53.90 3fa3 h ALA 254 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fa3 h ALA 254 CO 0.04 1.24 -0.37 0.52 0.00 0.00 0.00 179.25 180.68 3fa3 h MET 255 N 0.00 0.00 0.05 0.00 2.86 -0.32 0.88 114.93 118.40 3fa3 h MET 255 Ca -0.03 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.36 3fa3 h MET 255 Cb 1.77 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.43 3fa3 h MET 255 CO 0.12 0.37 -1.05 0.93 1.06 0.00 0.00 176.91 178.34 3fa3 h GLU 256 N 0.00 0.39 0.21 1.72 4.39 -1.40 -0.30 114.58 119.59 3fa3 h GLU 256 Ca -0.00 -0.48 -0.33 0.00 0.34 0.00 0.00 59.36 58.89 3fa3 h GLU 256 Cb 0.90 0.15 0.04 0.00 -0.10 0.00 0.00 28.75 29.74 3fa3 h GLU 256 CO 0.05 1.16 -1.41 -0.22 -1.16 0.00 0.00 179.01 177.43 3fa3 h LYS 257 N 0.19 0.57 -0.18 2.33 3.64 -1.42 0.21 116.57 121.90 3fa3 h LYS 257 Ca -0.10 -0.90 0.01 0.00 -1.27 0.00 0.00 60.65 58.38 3fa3 h LYS 257 Cb 1.71 0.32 -0.01 0.00 -0.41 0.00 0.00 32.23 33.85 3fa3 h LYS 257 CO 0.18 1.42 0.12 1.25 -2.27 0.00 0.00 179.45 180.16 3fa3 h LEU 258 N 0.19 0.20 0.31 5.20 5.85 -0.89 0.12 115.31 126.28 3fa3 h LEU 258 Ca -0.23 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3fa3 h LEU 258 Cb 2.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.07 3fa3 h LEU 258 CO 0.27 0.14 -0.15 0.11 -0.34 0.00 0.00 178.44 178.47 3fa3 h LYS 259 N 0.23 -0.40 0.18 1.25 1.79 -0.04 -2.08 116.57 117.51 3fa3 h LYS 259 Ca 0.07 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 3fa3 h LYS 259 Cb -0.00 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3fa3 h LYS 259 CO -0.01 -0.26 -0.10 0.00 -1.08 0.00 0.00 179.45 177.99 3fa3 h ARG 260 N -0.44 -0.25 0.00 3.15 3.08 -0.65 -3.31 114.38 115.96 3fa3 h ARG 260 Ca -0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3fa3 h ARG 260 Cb 0.32 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3fa3 h ARG 260 CO 0.07 -0.17 0.00 -0.44 -1.07 0.00 0.00 179.97 178.36 3fa3 h ASP 261 N -0.26 0.00 0.00 7.04 3.45 -0.90 -3.46 116.42 122.29 3fa3 h ASP 261 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3fa3 h ASP 261 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3fa3 h ASP 261 CO 0.03 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.31 3fa3 n GLY 262 N 0.02 0.40 3.13 2.75 0.00 -0.78 -4.94 105.19 105.76 3fa3 n GLY 262 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.05 -0.02 0.14 -0.61 2.07 -1.26 -5.07 121.20 114.40 3fa3 s ILE 263 Ca 0.00 0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 59.09 3fa3 s ILE 263 Cb 0.00 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3fa3 s ILE 263 CO 0.00 0.03 1.64 -0.65 -1.91 0.00 0.00 174.94 174.05 3fa3 h PRO 264 N 6.58 -0.24 -3.15 3.50 0.11 -1.89 -3.43 132.00 133.48 3fa3 h PRO 264 Ca -0.34 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.60 3fa3 h PRO 264 Cb 1.17 0.06 0.06 0.00 0.11 0.00 0.00 31.00 32.40 3fa3 h PRO 264 CO 0.34 -0.16 -0.31 0.41 -0.21 0.00 0.00 178.00 178.07 3fa3 n GLY 265 N -1.36 0.25 3.62 -0.55 0.00 -1.26 -4.71 105.19 101.18 3fa3 n GLY 265 Ca -0.02 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fa3 n LEU 266 N -2.53 3.81 -4.71 0.99 4.32 -1.26 -4.95 117.00 112.67 3fa3 n LEU 266 Ca -0.00 0.76 -0.36 0.00 -0.02 0.00 0.00 56.01 56.38 3fa3 n LEU 266 Cb 0.53 -1.40 0.08 0.00 -1.62 0.00 0.00 43.42 41.01 3fa3 n LEU 266 CO 0.29 -1.89 0.84 -0.67 -1.22 0.00 0.00 177.39 174.74 3fa3 n ASP 267 N -1.14 1.69 0.12 -1.43 2.03 -1.26 -4.84 116.55 111.72 3fa3 n ASP 267 Ca 0.14 0.76 0.06 0.00 0.52 0.00 0.00 54.79 56.28 3fa3 n ASP 267 Cb 0.48 -1.53 0.35 0.00 -0.72 0.00 0.00 41.12 39.70 3fa3 n ASP 267 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3fa3 n LYS 268 N -2.19 0.08 -0.06 -0.67 2.85 -1.26 -1.28 118.16 115.64 3fa3 n LYS 268 Ca 0.15 0.55 -0.06 0.00 -1.05 0.00 0.00 58.31 57.90 3fa3 n LYS 268 Cb 0.49 -1.93 -0.15 0.00 -0.65 0.00 0.00 35.03 32.79 3fa3 n LYS 268 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3fa3 n GLU 269 N -1.95 0.67 -0.30 -1.58 0.28 -1.26 -4.54 120.64 111.95 3fa3 n GLU 269 Ca -0.01 0.05 -0.20 0.00 -0.16 0.00 0.00 57.16 56.84 3fa3 n GLU 269 Cb 0.17 -1.60 -0.05 0.00 1.43 0.00 0.00 31.44 31.39 3fa3 n GLU 269 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3fa3 n MET 270 N -2.76 0.00 -2.01 3.44 2.81 -0.40 -4.65 117.12 113.55 3fa3 n MET 270 Ca -0.24 -0.67 -0.28 0.00 -1.81 0.00 0.00 57.70 54.70 3fa3 n MET 270 Cb 1.03 -2.12 0.09 0.00 -0.71 0.00 0.00 33.22 31.51 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 5.59 2.09 0.26 2.03 -4.23 -1.26 -4.88 115.64 115.24 3fa3 s THR 271 Ca 0.31 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.70 3fa3 s THR 271 Cb 0.07 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 71.16 3fa3 s THR 271 CO 0.16 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 175.41 3fa3 h PRO 272 N -0.94 0.87 -0.24 3.99 0.11 -1.99 -2.64 132.00 131.16 3fa3 h PRO 272 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3fa3 h PRO 272 Cb 1.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fa3 h PRO 272 CO 0.62 0.58 -0.04 1.96 -0.21 0.00 0.00 178.00 180.91 3fa3 h GLN 273 N 0.90 0.45 -0.35 1.05 7.50 -1.93 -0.79 115.11 121.94 3fa3 h GLN 273 Ca 0.43 -0.16 0.07 0.00 0.50 0.00 0.00 58.65 59.50 3fa3 h GLN 273 Cb 0.38 -0.03 -0.09 0.00 0.05 0.00 0.00 27.48 27.79 3fa3 h GLN 273 CO -0.24 0.66 -0.32 1.98 -1.50 0.00 0.00 178.83 179.41 3fa3 h MET 274 N 0.20 -0.26 -0.87 1.46 4.05 -1.81 -0.66 114.93 117.04 3fa3 h MET 274 Ca 0.06 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.63 3fa3 h MET 274 Cb 0.48 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 3fa3 h MET 274 CO 0.02 -0.17 0.56 -0.07 0.23 0.00 0.00 176.91 177.48 3fa3 h LEU 275 N -0.27 0.67 -0.46 3.39 3.38 -1.08 -2.20 115.31 118.73 3fa3 h LEU 275 Ca 0.16 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 3fa3 h LEU 275 Cb 0.53 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3fa3 h LEU 275 CO -0.50 0.36 -0.76 -0.26 0.09 0.00 0.00 178.44 177.37 3fa3 h PHE 276 N 0.73 0.13 -0.06 1.13 0.05 -0.19 -2.97 116.94 115.75 3fa3 h PHE 276 Ca 0.42 -0.06 -0.13 0.00 3.82 0.00 0.00 57.97 62.02 3fa3 h PHE 276 Cb 0.62 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.54 3fa3 h PHE 276 CO -0.00 0.82 -0.55 0.00 -0.18 0.00 0.00 178.31 178.40 3fa3 h ARG 277 N 0.06 0.17 -0.93 1.51 3.08 -0.67 -0.02 114.38 117.58 3fa3 h ARG 277 Ca -0.02 -0.10 0.26 0.00 0.07 0.00 0.00 59.98 60.19 3fa3 h ARG 277 Cb 1.35 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 3fa3 h ARG 277 CO 0.11 0.67 0.66 0.28 -1.07 0.00 0.00 179.97 180.62 3fa3 h VAL 278 N 0.13 0.55 -2.28 2.04 2.07 -1.24 -2.76 116.25 114.76 3fa3 h VAL 278 Ca -0.00 -0.02 -0.61 0.00 0.82 0.00 0.00 66.70 66.89 3fa3 h VAL 278 Cb 1.01 0.48 -0.41 0.00 -1.52 0.00 0.00 31.29 30.85 3fa3 h VAL 278 CO 0.08 0.01 -0.50 0.00 0.02 0.00 0.00 177.57 177.18 3fa3 n GLY 280 N -0.10 1.53 0.19 0.00 0.00 -1.04 -4.86 105.19 100.92 3fa3 n GLY 280 Ca 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.45 -0.96 0.99 5.85 -1.51 0.16 115.31 119.39 3fa3 h LEU 281 Ca -0.32 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3fa3 h LEU 281 Cb 1.12 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 3fa3 h LEU 281 CO 0.46 -0.16 0.16 0.44 -0.34 0.00 0.00 178.44 179.00 3fa3 h ASP 282 N -0.01 0.86 0.46 1.25 3.32 -1.87 0.59 116.42 121.02 3fa3 h ASP 282 Ca 0.22 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 3fa3 h ASP 282 Cb 0.35 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3fa3 h ASP 282 CO -0.48 0.83 -0.78 -0.33 -1.72 0.00 0.00 179.24 176.76 3fa3 h GLU 283 N 0.89 0.25 0.00 3.56 3.07 -1.83 -2.19 114.58 118.32 3fa3 h GLU 283 Ca 0.19 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3fa3 h GLU 283 Cb 0.30 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3fa3 h GLU 283 CO -0.00 0.91 -0.83 -1.13 -1.40 0.00 0.00 179.01 176.56 3fa3 n SER 284 N -3.75 0.65 0.13 1.42 3.41 0.50 -1.83 113.62 114.14 3fa3 n SER 284 Ca -0.03 -0.06 -0.01 0.00 -0.26 0.00 0.00 58.87 58.50 3fa3 n SER 284 Cb 0.74 0.49 0.23 0.00 -0.26 0.00 0.00 64.21 65.40 3fa3 n SER 284 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3fa3 h MET 285 N 0.00 0.10 -0.18 4.33 2.86 0.25 -3.18 114.93 119.12 3fa3 h MET 285 Ca 0.00 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 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 0.00 0.58 -0.44 0.87 1.06 0.00 0.00 176.91 178.97 3fa3 h LYS 286 N 0.08 0.61 -0.81 1.72 1.57 -1.03 -2.48 116.57 116.23 3fa3 h LYS 286 Ca 0.00 -0.42 0.17 0.00 -1.87 0.00 0.00 60.65 58.53 3fa3 h LYS 286 Cb 0.91 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.17 3fa3 h LYS 286 CO 0.07 1.04 0.31 0.28 -0.57 0.00 0.00 179.45 180.58 3fa3 h VAL 287 N 0.27 0.57 0.06 0.50 2.07 -1.37 -1.00 116.25 117.35 3fa3 h VAL 287 Ca -0.01 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3fa3 h VAL 287 Cb 1.06 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3fa3 h VAL 287 CO 0.10 0.07 -0.03 -0.78 0.02 0.00 0.00 177.57 176.95 3fa3 h ASP 288 N 0.41 -0.06 0.10 0.57 1.82 -1.51 -3.12 116.42 114.63 3fa3 h ASP 288 Ca 0.47 -0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 3fa3 h ASP 288 Cb 0.79 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.82 3fa3 h ASP 288 CO -0.47 0.16 -0.05 0.00 -1.61 0.00 0.00 179.24 177.27 3fa3 h ALA 289 N 0.64 -0.14 0.00 -0.78 0.00 -0.87 -1.80 119.26 116.31 3fa3 h ALA 289 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fa3 h ALA 289 Cb 0.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fa3 h ALA 289 CO 0.01 -0.55 0.31 1.96 0.00 0.00 0.00 179.25 180.99 3fa3 h GLN 290 N -0.20 0.00 -0.02 0.00 4.20 -1.30 -3.17 115.11 114.62 3fa3 h GLN 290 Ca -0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3fa3 h GLN 290 Cb 0.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.95 3fa3 h GLN 290 CO 0.02 0.00 -0.39 0.00 -0.67 0.00 0.00 178.83 177.79 3fa3 h ALA 291 N 1.32 0.07 -3.66 3.87 0.00 -1.27 -3.49 119.26 116.09 3fa3 h ALA 291 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 3fa3 h ALA 291 Cb 0.62 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.12 3fa3 h ALA 291 CO 0.00 0.20 -0.74 0.20 0.00 0.00 0.00 179.25 178.91 3fa3 s GLY 292 N -3.94 0.16 0.64 0.00 0.00 -1.20 -5.15 107.32 97.83 3fa3 s GLY 292 Ca -0.15 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 3fa3 s GLY 292 CO 0.78 0.26 0.91 -0.32 0.00 0.00 0.00 173.10 174.72 3fa3 s GLY 293 N 0.47 1.77 -0.10 0.20 0.00 -0.92 -4.95 107.32 103.78 3fa3 s GLY 293 Ca -0.04 -1.22 0.15 0.00 0.00 0.00 0.00 44.72 43.61 3fa3 s GLY 293 CO -0.01 -0.85 1.50 0.00 0.00 0.00 0.00 173.10 173.75 3fa3 n ALA 294 N -2.66 3.02 -0.15 3.20 0.00 -1.26 -4.46 120.51 118.20 3fa3 n ALA 294 Ca 0.09 -1.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.16 3fa3 n ALA 294 Cb 0.60 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 3.92 0.23 -0.97 0.00 0.00 -1.94 0.12 119.26 120.62 3fa3 h ALA 295 Ca 0.00 0.18 -0.65 0.00 0.00 0.00 0.00 54.91 54.44 3fa3 h ALA 295 Cb 1.27 0.45 -0.34 0.00 0.00 0.00 0.00 17.79 19.18 3fa3 h ALA 295 CO 0.20 -0.50 0.32 1.19 0.00 0.00 0.00 179.25 180.46 3fa3 n PHE 296 N -5.38 3.08 -3.20 0.00 3.01 -1.26 -4.94 117.46 108.77 3fa3 n PHE 296 Ca 0.04 -2.72 -0.40 0.00 1.01 0.00 0.00 57.45 55.38 3fa3 n PHE 296 Cb 0.29 -1.01 -0.07 0.00 -0.01 0.00 0.00 39.48 38.68 3fa3 n PHE 296 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3fa3 s ASP 297 N -2.34 6.58 0.00 4.37 -1.08 0.03 -1.99 116.67 122.23 3fa3 s ASP 297 Ca 0.58 0.70 0.00 0.00 -0.52 0.00 0.00 52.55 53.31 3fa3 s ASP 297 Cb 0.46 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 3fa3 s ASP 297 CO -0.07 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.00 3fa3 n GLY 298 N 3.96 3.21 0.00 2.66 0.00 -1.26 -5.04 105.19 108.72 3fa3 n GLY 298 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.87 0.00 -0.02 0.00 -0.84 -4.91 105.19 97.54 3fa3 n GLY 299 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3fa3 n GLY 299 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3fa3 n VAL 300 N -0.31 0.00 -2.42 1.61 3.14 -1.26 -4.92 118.33 114.18 3fa3 n VAL 300 Ca 0.00 -0.40 -0.24 0.00 -2.96 0.00 0.00 64.34 60.74 3fa3 n VAL 300 Cb 0.00 1.11 0.05 0.00 -1.06 0.00 0.00 33.84 33.94 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3fa3 s ASP 301 N -0.36 5.10 0.00 6.55 1.01 -1.26 -5.08 116.67 122.62 3fa3 s ASP 301 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.55 3fa3 s ASP 301 Cb 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 42.92 42.84 3fa3 s ASP 301 CO 0.00 -1.34 0.00 -0.11 0.21 0.00 0.00 175.17 173.93