#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 3.62 0.39 -0.52 -1.94 -1.26 -5.10 119.30 114.49 3fa3 s MET 3 Ca 0.00 0.02 0.08 0.00 -1.71 0.00 0.00 55.69 54.08 3fa3 s MET 3 Cb 0.00 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 3fa3 s MET 3 CO 0.00 0.69 0.19 0.54 -0.01 0.00 0.00 175.02 176.42 3fa3 s VAL 4 N -1.19 2.60 -0.28 -6.03 0.11 -1.26 -5.14 120.40 109.21 3fa3 s VAL 4 Ca 0.24 -1.66 -0.18 0.00 -2.93 0.00 0.00 61.98 57.45 3fa3 s VAL 4 Cb -0.14 -2.98 0.08 0.00 -1.53 0.00 0.00 36.38 31.81 3fa3 s VAL 4 CO 0.13 -0.07 0.70 0.28 -3.33 0.00 0.00 175.10 172.81 3fa3 s THR 5 N -2.52 0.00 -1.40 5.04 -1.32 -1.26 -5.01 115.64 109.17 3fa3 s THR 5 Ca 0.41 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 3fa3 s THR 5 Cb 0.01 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 3fa3 s THR 5 CO 0.23 0.00 0.90 0.00 -2.21 0.00 0.00 174.62 173.54 3fa3 n ALA 6 N 4.04 1.30 -0.31 11.08 0.00 -1.26 -2.23 120.51 133.13 3fa3 n ALA 6 Ca -0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 3fa3 n ALA 6 Cb 0.58 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 19.09 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 2.11 1.09 -0.15 0.00 0.00 -1.78 -2.26 119.26 118.26 3fa3 h ALA 7 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3fa3 h ALA 7 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3fa3 h ALA 7 CO 0.00 0.42 -0.38 1.15 0.00 0.00 0.00 179.25 180.45 3fa3 h THR 8 N 1.10 1.30 -0.09 0.00 2.02 -1.69 -0.36 112.91 115.18 3fa3 h THR 8 Ca 0.32 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 3fa3 h THR 8 Cb -0.06 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3fa3 h THR 8 CO -0.09 0.45 0.01 -1.28 0.37 0.00 0.00 175.52 174.98 3fa3 h SER 9 N 0.28 0.15 -0.17 4.18 0.87 -1.60 -1.89 113.55 115.37 3fa3 h SER 9 Ca 0.03 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3fa3 h SER 9 Cb 0.80 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3fa3 h SER 9 CO 0.06 0.37 -0.11 0.25 -0.53 0.00 0.00 176.83 176.87 3fa3 h LEU 10 N -0.08 0.39 -0.82 2.23 5.85 -1.34 -2.22 115.31 119.31 3fa3 h LEU 10 Ca 0.03 -0.44 0.20 0.00 0.84 0.00 0.00 57.88 58.51 3fa3 h LEU 10 Cb 0.29 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 3fa3 h LEU 10 CO 0.00 0.75 0.17 -0.09 -0.34 0.00 0.00 178.44 178.93 3fa3 h ARG 11 N 0.04 0.19 -0.16 1.25 2.43 -1.08 -0.04 114.38 117.02 3fa3 h ARG 11 Ca 0.03 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3fa3 h ARG 11 Cb 0.61 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3fa3 h ARG 11 CO 0.03 0.13 -0.29 0.00 -1.51 0.00 0.00 179.97 178.33 3fa3 h ARG 12 N 0.20 0.30 -0.05 0.20 3.08 -0.77 -1.59 114.38 115.75 3fa3 h ARG 12 Ca 0.49 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 3fa3 h ARG 12 Cb 0.93 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3fa3 h ARG 12 CO -0.63 0.57 0.02 0.00 -1.07 0.00 0.00 179.97 178.86 3fa3 h ALA 13 N 1.44 0.06 0.00 0.04 0.00 -0.57 -2.59 119.26 117.63 3fa3 h ALA 13 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 13 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fa3 h ALA 13 CO 0.05 -0.34 0.00 -0.07 0.00 0.00 0.00 179.25 178.88 3fa3 h LEU 14 N -0.10 0.00 -0.47 0.00 3.38 -0.78 0.15 115.31 117.50 3fa3 h LEU 14 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fa3 h LEU 14 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3fa3 h LEU 14 CO -0.00 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.20 3fa3 h GLU 15 N 0.00 0.00 -4.89 1.13 5.08 -0.89 -3.43 114.58 111.57 3fa3 h GLU 15 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3fa3 h GLU 15 Cb 0.41 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.48 3fa3 h GLU 15 CO 0.00 0.00 -0.33 1.21 -1.00 0.00 0.00 179.01 178.89 3fa3 s ASN 16 N -4.50 6.15 0.23 1.42 3.84 0.52 -4.96 114.94 117.65 3fa3 s ASN 16 Ca 0.06 -0.28 -0.03 0.00 0.21 0.00 0.00 52.86 52.82 3fa3 s ASN 16 Cb 0.10 -2.18 0.25 0.00 -0.55 0.00 0.00 41.25 38.87 3fa3 s ASN 16 CO 0.48 -0.32 1.68 -0.65 -2.79 0.00 0.00 177.10 175.50 3fa3 h PRO 17 N 8.47 0.75 0.00 0.43 0.11 -1.83 -2.61 132.00 137.32 3fa3 h PRO 17 Ca -0.30 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3fa3 h PRO 17 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fa3 h PRO 17 CO 0.68 0.87 0.01 -0.44 -0.21 0.00 0.00 178.00 178.90 3fa3 h ASP 18 N 0.67 0.00 -3.76 -2.05 3.32 -1.93 -3.45 116.42 109.22 3fa3 h ASP 18 Ca 0.11 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.67 3fa3 h ASP 18 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3fa3 h ASP 18 CO 0.04 0.00 0.14 -0.55 -1.72 0.00 0.00 179.24 177.15 3fa3 s SER 19 N -4.72 6.65 -0.07 6.45 0.15 -0.98 -5.08 113.70 116.10 3fa3 s SER 19 Ca -0.04 1.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.82 3fa3 s SER 19 Cb 0.10 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 3fa3 s SER 19 CO 0.33 -0.33 0.17 0.12 1.20 0.00 0.00 173.24 174.73 3fa3 s PHE 20 N -2.22 -0.20 -0.13 3.44 5.36 -1.26 -4.91 117.98 118.06 3fa3 s PHE 20 Ca 0.53 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.06 3fa3 s PHE 20 Cb -0.10 -0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.58 3fa3 s PHE 20 CO 0.25 -0.15 -0.21 0.42 -1.46 0.00 0.00 175.22 174.06 3fa3 s ILE 21 N 0.76 2.16 -0.20 3.12 1.01 -0.68 -5.02 121.20 122.35 3fa3 s ILE 21 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3fa3 s ILE 21 Cb -0.07 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 3fa3 s ILE 21 CO -0.04 0.55 -0.09 -0.69 0.00 0.00 0.00 174.94 174.67 3fa3 s VAL 22 N 0.71 3.03 -0.27 2.92 1.01 -1.26 -0.46 120.40 126.08 3fa3 s VAL 22 Ca -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3fa3 s VAL 22 Cb -0.16 -2.35 0.08 0.00 0.00 0.00 0.00 36.38 33.95 3fa3 s VAL 22 CO 0.01 0.46 0.02 0.00 0.00 0.00 0.00 175.10 175.59 3fa3 s ALA 23 N 1.29 1.92 0.36 5.51 0.00 -0.14 -3.87 121.76 126.83 3fa3 s ALA 23 Ca 0.03 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.12 3fa3 s ALA 23 Cb -0.14 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 3fa3 s ALA 23 CO -0.04 -1.42 1.18 -1.25 0.00 0.00 0.00 175.76 174.22 3fa3 s PRO 24 N 1.41 4.24 0.09 0.00 0.04 -1.26 -1.50 135.00 138.02 3fa3 s PRO 24 Ca 0.02 1.90 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 3fa3 s PRO 24 Cb -0.18 -2.86 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 3fa3 s PRO 24 CO -0.12 -0.18 1.49 0.20 0.04 0.00 0.00 177.00 178.42 3fa3 s GLY 25 N -0.96 1.77 0.13 0.56 0.00 0.41 -1.07 107.32 108.17 3fa3 s GLY 25 Ca 0.53 1.14 0.06 0.00 0.00 0.00 0.00 44.72 46.45 3fa3 s GLY 25 CO 0.42 2.56 -0.13 -1.34 0.00 0.00 0.00 173.10 174.60 3fa3 s VAL 26 N 1.71 1.28 0.00 1.40 -7.23 0.24 -3.86 120.40 113.94 3fa3 s VAL 26 Ca 0.68 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 3fa3 s VAL 26 Cb -0.38 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 34.98 3fa3 s VAL 26 CO 0.30 -0.49 0.00 0.00 -0.31 0.00 0.00 175.10 174.60 3fa3 n TYR 27 N 0.39 0.00 -3.34 2.82 4.11 -1.26 -1.78 117.16 118.10 3fa3 n TYR 27 Ca -0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.76 3fa3 n TYR 27 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.92 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 -0.13 -0.00 -0.15 9.48 5.75 -1.26 -4.37 116.55 125.87 3fa3 n ASP 28 Ca 0.00 -1.00 -0.08 0.00 -0.01 0.00 0.00 54.79 53.70 3fa3 n ASP 28 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa3 h GLY 29 N 0.00 0.66 0.90 6.12 0.00 -1.98 -2.79 103.07 105.98 3fa3 h GLY 29 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3fa3 h GLY 29 CO 0.00 0.26 -0.41 1.41 0.00 0.00 0.00 176.54 177.80 3fa3 h LEU 30 N 0.61 -0.97 -1.93 3.11 3.38 -1.98 -2.31 115.31 115.22 3fa3 h LEU 30 Ca 0.17 0.03 0.41 0.00 0.09 0.00 0.00 57.88 58.58 3fa3 h LEU 30 Cb -0.02 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3fa3 h LEU 30 CO -0.03 -0.63 1.01 0.77 0.09 0.00 0.00 178.44 179.65 3fa3 h SER 31 N -1.26 0.04 0.05 -0.43 4.64 -1.98 -0.21 113.55 114.40 3fa3 h SER 31 Ca -0.12 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3fa3 h SER 31 Cb 0.88 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3fa3 h SER 31 CO 0.19 -0.01 -0.02 0.00 -0.87 0.00 0.00 176.83 176.12 3fa3 h ALA 32 N 1.31 -0.07 -0.89 5.18 0.00 -1.23 -2.23 119.26 121.33 3fa3 h ALA 32 Ca 0.69 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.83 3fa3 h ALA 32 Cb 2.69 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 20.36 3fa3 h ALA 32 CO -0.05 -0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.42 3fa3 h ARG 33 N -0.97 0.23 -0.38 0.00 2.47 -1.19 0.11 114.38 114.65 3fa3 h ARG 33 Ca -0.01 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.56 3fa3 h ARG 33 Cb 0.05 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3fa3 h ARG 33 CO 0.01 0.15 -0.29 0.28 0.56 0.00 0.00 179.97 180.68 3fa3 h VAL 34 N 0.23 1.28 -0.30 2.04 2.07 -1.13 0.24 116.25 120.69 3fa3 h VAL 34 Ca 0.57 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3fa3 h VAL 34 Cb 1.17 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3fa3 h VAL 34 CO -0.64 0.48 0.11 0.00 0.02 0.00 0.00 177.57 177.54 3fa3 h ALA 35 N 0.78 0.39 0.08 1.67 0.00 -0.71 -2.25 119.26 119.21 3fa3 h ALA 35 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fa3 h ALA 35 Cb 0.87 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fa3 h ALA 35 CO 0.08 -0.00 -0.04 -0.07 0.00 0.00 0.00 179.25 179.21 3fa3 h LEU 36 N 0.33 -0.10 -2.13 0.00 -0.00 -0.68 -1.85 115.31 110.87 3fa3 h LEU 36 Ca 0.10 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.06 3fa3 h LEU 36 Cb 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 3fa3 h LEU 36 CO -0.01 -0.07 0.23 0.28 -0.00 0.00 0.00 178.44 178.88 3fa3 h SER 37 N -0.11 0.00 1.06 -0.43 0.02 -0.91 0.45 113.55 113.63 3fa3 h SER 37 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3fa3 h SER 37 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3fa3 h SER 37 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 3fa3 h ALA 38 N 1.77 1.00 0.00 3.77 0.00 -0.71 -3.47 119.26 121.63 3fa3 h ALA 38 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 38 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fa3 h ALA 38 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3fa3 n GLY 39 N 0.31 0.77 3.67 0.00 0.00 0.16 -5.08 105.19 105.01 3fa3 n GLY 39 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.94 1.98 1.15 1.61 3.01 -1.22 -4.91 117.46 118.14 3fa3 n PHE 40 Ca 0.00 0.58 0.12 0.00 1.01 0.00 0.00 57.45 59.17 3fa3 n PHE 40 Cb 0.00 -2.36 0.21 0.00 -0.01 0.00 0.00 39.48 37.32 3fa3 n PHE 40 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 41 N 0.80 2.14 -3.93 4.37 8.00 -1.26 -4.81 116.55 121.86 3fa3 n ASP 41 Ca 0.06 -1.61 -0.09 0.00 0.71 0.00 0.00 54.79 53.86 3fa3 n ASP 41 Cb 0.36 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.19 -0.50 -0.00 2.24 0.00 -1.25 -4.16 121.76 115.90 3fa3 s ALA 42 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3fa3 s ALA 42 Cb 0.20 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.30 3fa3 s ALA 42 CO 0.40 -0.86 -0.00 -0.51 0.00 0.00 0.00 175.76 174.79 3fa3 s LEU 43 N -2.97 1.84 -0.28 0.00 1.43 -0.43 -4.17 118.68 114.10 3fa3 s LEU 43 Ca 0.18 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3fa3 s LEU 43 Cb -0.01 -0.05 -0.00 0.00 0.03 0.00 0.00 46.19 46.15 3fa3 s LEU 43 CO 0.06 -0.01 0.08 -0.47 0.23 0.00 0.00 176.35 176.23 3fa3 s TYR 44 N 0.17 3.12 -0.63 0.29 5.04 -0.23 0.59 117.35 125.70 3fa3 s TYR 44 Ca -0.01 -0.77 -0.26 0.00 -2.44 0.00 0.00 57.07 53.59 3fa3 s TYR 44 Cb -0.03 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 40.07 3fa3 s TYR 44 CO -0.00 -0.50 1.12 1.41 -1.34 0.00 0.00 175.55 176.23 3fa3 s MET 45 N 1.55 3.32 -0.03 4.97 -2.45 -0.43 0.80 119.30 127.02 3fa3 s MET 45 Ca 0.04 -0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.01 3fa3 s MET 45 Cb -0.16 -4.10 -0.05 0.00 1.25 0.00 0.00 34.83 31.76 3fa3 s MET 45 CO 0.03 -1.77 1.53 -0.08 1.05 0.00 0.00 175.02 175.77 3fa3 s THR 46 N 4.77 3.63 0.29 10.11 -1.32 -0.74 -2.32 115.64 130.06 3fa3 s THR 46 Ca 0.34 0.89 -0.02 0.00 -1.21 0.00 0.00 61.69 61.70 3fa3 s THR 46 Cb -0.10 -3.58 0.26 0.00 -1.51 0.00 0.00 72.50 67.58 3fa3 s THR 46 CO 0.19 -0.04 1.95 1.23 -2.21 0.00 0.00 174.62 175.73 3fa3 h GLY 47 N 9.36 1.24 0.63 6.08 0.00 -1.91 0.61 103.07 119.07 3fa3 h GLY 47 Ca -0.38 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.55 3fa3 h GLY 47 CO 0.94 0.42 0.06 0.00 0.00 0.00 0.00 176.54 177.96 3fa3 h ALA 48 N 1.47 0.32 -0.14 3.60 0.00 -1.96 -0.94 119.26 121.61 3fa3 h ALA 48 Ca 0.33 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 3fa3 h ALA 48 Cb -0.08 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fa3 h ALA 48 CO -0.08 -0.35 -0.15 0.78 0.00 0.00 0.00 179.25 179.44 3fa3 h GLY 49 N 0.17 0.37 -0.58 0.00 0.00 -1.79 -1.25 103.07 99.99 3fa3 h GLY 49 Ca 0.15 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.16 3fa3 h GLY 49 CO -0.19 0.35 -0.52 -0.84 0.00 0.00 0.00 176.54 175.34 3fa3 h THR 50 N -0.04 0.03 -1.00 4.70 2.02 -0.77 0.99 112.91 118.84 3fa3 h THR 50 Ca 0.02 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.38 3fa3 h THR 50 Cb 0.69 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 67.03 3fa3 h THR 50 CO 0.04 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.54 3fa3 h ALA 51 N 0.34 1.69 -0.03 6.16 0.00 -1.14 -0.04 119.26 126.25 3fa3 h ALA 51 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 51 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fa3 h ALA 51 CO -0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 178.49 3fa3 h ALA 52 N 1.62 0.04 -0.06 0.00 0.00 0.21 -1.56 119.26 119.52 3fa3 h ALA 52 Ca 0.56 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3fa3 h ALA 52 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3fa3 h ALA 52 CO -0.35 -0.26 -0.26 1.03 0.00 0.00 0.00 179.25 179.41 3fa3 h SER 53 N -0.31 0.33 -0.10 0.00 0.87 0.14 -0.63 113.55 113.85 3fa3 h SER 53 Ca 0.01 -0.65 -0.23 0.00 -1.23 0.00 0.00 61.79 59.69 3fa3 h SER 53 Cb 0.39 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3fa3 h SER 53 CO 0.00 0.92 -0.84 0.58 -0.53 0.00 0.00 176.83 176.97 3fa3 h VAL 54 N -0.24 1.28 0.00 2.23 2.07 -1.20 -3.38 116.25 117.01 3fa3 h VAL 54 Ca -0.02 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.47 3fa3 h VAL 54 Cb 0.91 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3fa3 h VAL 54 CO 0.05 0.64 -0.84 1.41 0.02 0.00 0.00 177.57 178.86 3fa3 n HIS 55 N -3.91 0.00 -3.26 1.57 8.25 -1.12 -4.98 115.22 111.77 3fa3 n HIS 55 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3fa3 n HIS 55 Cb 0.78 -0.09 0.07 0.00 1.12 0.00 0.00 29.99 31.87 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 1.52 -0.23 3.09 -1.41 0.00 -0.24 -5.00 105.19 102.91 3fa3 n GLY 56 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.51 0.51 0.89 1.61 2.00 -0.60 -4.98 119.66 113.57 3fa3 s GLN 57 Ca 0.20 -0.68 -0.13 0.00 -2.00 0.00 0.00 55.36 52.75 3fa3 s GLN 57 Cb -0.09 0.20 0.13 0.00 0.80 0.00 0.00 33.01 34.05 3fa3 s GLN 57 CO 0.59 -0.12 1.20 0.00 -0.50 0.00 0.00 175.29 176.46 3fa3 s ALA 58 N -2.21 2.25 -1.42 1.58 0.00 -1.26 -2.29 121.76 118.41 3fa3 s ALA 58 Ca -0.08 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 3fa3 s ALA 58 Cb -0.04 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.22 3fa3 s ALA 58 CO -0.03 -2.09 2.30 -3.47 0.00 0.00 0.00 175.76 172.47 3fa3 n ASP 59 N -3.60 5.90 -2.06 0.00 4.64 -1.26 -4.71 116.55 115.46 3fa3 n ASP 59 Ca 0.10 -2.92 -0.26 0.00 -1.38 0.00 0.00 54.79 50.33 3fa3 n ASP 59 Cb 0.60 -1.54 0.08 0.00 -1.04 0.00 0.00 41.12 39.23 3fa3 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fa3 n LEU 60 N 4.21 6.19 -2.69 -2.67 4.77 -1.26 -1.06 117.00 124.49 3fa3 n LEU 60 Ca 0.55 -4.34 -0.17 0.00 -0.03 0.00 0.00 56.01 52.02 3fa3 n LEU 60 Cb 0.33 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3fa3 n LEU 60 CO 0.83 1.64 -0.13 0.61 -1.33 0.00 0.00 177.39 179.01 3fa3 n GLY 61 N -0.89 -0.50 0.12 -0.72 0.00 -0.00 -4.45 105.19 98.74 3fa3 n GLY 61 Ca 0.52 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.38 0.00 -3.45 -0.61 2.04 -1.87 -3.44 117.51 109.79 3fa3 h ILE 62 Ca -0.39 -0.70 -0.54 0.00 1.00 0.00 0.00 64.86 64.23 3fa3 h ILE 62 Cb 1.28 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 3fa3 h ILE 62 CO 0.46 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.77 3fa3 s THR 64 N -0.40 5.10 0.14 0.00 2.01 -1.26 -4.93 115.64 116.29 3fa3 s THR 64 Ca 0.38 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 3fa3 s THR 64 Cb -0.21 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3fa3 s THR 64 CO 0.24 -0.39 1.57 0.25 -0.69 0.00 0.00 174.62 175.60 3fa3 h LEU 65 N 1.00 -1.48 -0.99 4.42 5.85 -1.97 0.23 115.31 122.37 3fa3 h LEU 65 Ca -0.51 0.21 0.34 0.00 0.84 0.00 0.00 57.88 58.76 3fa3 h LEU 65 Cb 1.23 0.62 -0.18 0.00 0.37 0.00 0.00 40.66 42.70 3fa3 h LEU 65 CO 0.60 -0.41 0.31 0.78 -0.34 0.00 0.00 178.44 179.39 3fa3 h ASN 66 N -0.42 -0.02 -0.38 1.25 4.21 -1.98 0.25 115.58 118.48 3fa3 h ASN 66 Ca 0.10 0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.85 3fa3 h ASN 66 Cb 0.61 0.35 -0.02 0.00 -1.12 0.00 0.00 38.32 38.15 3fa3 h ASN 66 CO -0.51 -0.36 0.15 0.44 -1.29 0.00 0.00 177.43 175.86 3fa3 h ASP 67 N 0.04 0.52 0.10 5.81 3.32 -0.94 -2.22 116.42 123.05 3fa3 h ASP 67 Ca 0.72 -0.16 -0.22 0.00 0.02 0.00 0.00 57.03 57.38 3fa3 h ASP 67 Cb 1.71 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.12 3fa3 h ASP 67 CO -0.81 0.54 -1.12 0.24 -1.72 0.00 0.00 179.24 176.36 3fa3 h MET 68 N 0.46 0.21 -0.19 3.56 2.86 -0.15 -2.90 114.93 118.78 3fa3 h MET 68 Ca 0.13 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3fa3 h MET 68 Cb 0.18 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3fa3 h MET 68 CO -0.01 1.17 0.02 -0.09 1.06 0.00 0.00 176.91 179.06 3fa3 h ARG 69 N -0.45 0.09 -0.38 1.72 1.12 -0.71 0.11 114.38 115.87 3fa3 h ARG 69 Ca -0.24 -0.01 0.08 0.00 -1.11 0.00 0.00 59.98 58.71 3fa3 h ARG 69 Cb 1.62 -0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 31.48 3fa3 h ARG 69 CO 0.05 0.06 -0.20 0.00 -3.11 0.00 0.00 179.97 176.77 3fa3 h ALA 70 N 1.14 0.08 0.23 2.80 0.00 -1.46 0.20 119.26 122.26 3fa3 h ALA 70 Ca 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3fa3 h ALA 70 Cb 0.09 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fa3 h ALA 70 CO -0.13 -0.57 -0.11 -0.97 0.00 0.00 0.00 179.25 177.47 3fa3 h ASN 71 N -0.13 -0.27 -1.03 0.00 -1.24 -1.22 -1.29 115.58 110.41 3fa3 h ASN 71 Ca 0.19 -0.20 0.34 0.00 0.71 0.00 0.00 56.30 57.34 3fa3 h ASN 71 Cb 0.43 0.07 -0.15 0.00 0.73 0.00 0.00 38.32 39.39 3fa3 h ASN 71 CO -0.47 0.07 0.59 0.00 -1.29 0.00 0.00 177.43 176.34 3fa3 h ALA 72 N 0.03 2.05 -0.01 1.57 0.00 -0.63 0.76 119.26 123.03 3fa3 h ALA 72 Ca -0.03 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fa3 h ALA 72 Cb 0.45 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fa3 h ALA 72 CO 0.05 -0.69 -0.18 1.49 0.00 0.00 0.00 179.25 179.92 3fa3 h GLU 73 N 0.26 0.15 -0.50 0.00 4.81 0.28 -1.39 114.58 118.19 3fa3 h GLU 73 Ca 0.75 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.81 3fa3 h GLU 73 Cb 1.82 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 3fa3 h GLU 73 CO -0.61 0.85 0.16 0.00 -0.73 0.00 0.00 179.01 178.69 3fa3 h MET 74 N -0.50 0.77 -0.69 1.92 -0.00 -0.80 -1.19 114.93 114.44 3fa3 h MET 74 Ca -0.02 -0.16 0.08 0.00 -0.00 0.00 0.00 59.70 59.59 3fa3 h MET 74 Cb 0.90 -0.11 -0.06 0.00 -0.00 0.00 0.00 31.60 32.33 3fa3 h MET 74 CO 0.04 0.72 0.36 0.82 -0.00 0.00 0.00 176.91 178.84 3fa3 h ILE 75 N 0.67 0.91 0.00 -0.10 2.04 -0.94 -1.89 117.51 118.20 3fa3 h ILE 75 Ca 0.16 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3fa3 h ILE 75 Cb 0.26 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3fa3 h ILE 75 CO -0.01 0.12 0.00 0.28 0.00 0.00 0.00 178.15 178.54 3fa3 h SER 76 N 0.64 0.00 -0.45 1.72 0.02 -0.38 -2.22 113.55 112.88 3fa3 h SER 76 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3fa3 h SER 76 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3fa3 h SER 76 CO -0.22 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.06 3fa3 n ASN 77 N -3.02 3.35 0.08 3.07 3.02 -0.53 -4.04 115.26 117.20 3fa3 n ASN 77 Ca 0.00 -2.10 -0.12 0.00 -0.03 0.00 0.00 54.58 52.33 3fa3 n ASN 77 Cb 0.27 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 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 2.67 0.87 -3.54 2.41 2.04 -1.11 -3.39 117.51 117.47 3fa3 h ILE 78 Ca 0.00 -0.93 -0.65 0.00 1.00 0.00 0.00 64.86 64.28 3fa3 h ILE 78 Cb 0.89 1.38 -0.40 0.00 -0.74 0.00 0.00 36.82 37.94 3fa3 h ILE 78 CO 0.03 0.19 -0.68 -0.55 0.00 0.00 0.00 178.15 177.14 3fa3 s SER 79 N -5.36 4.54 0.63 1.72 0.15 -1.26 -4.96 113.70 109.15 3fa3 s SER 79 Ca -0.14 -2.55 0.35 0.00 0.70 0.00 0.00 55.95 54.31 3fa3 s SER 79 Cb 0.01 -1.62 1.96 0.00 -1.71 0.00 0.00 66.02 64.67 3fa3 s SER 79 CO 0.53 -0.31 2.21 -0.65 1.20 0.00 0.00 173.24 176.22 3fa3 h PRO 80 N 7.10 0.00 0.00 5.44 0.11 -1.76 0.14 132.00 143.03 3fa3 h PRO 80 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3fa3 h PRO 80 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3fa3 h PRO 80 CO 0.60 0.00 -0.14 -1.13 -0.21 0.00 0.00 178.00 177.11 3fa3 n SER 81 N -3.46 0.16 -4.62 -2.05 3.41 -1.26 -4.25 113.62 101.54 3fa3 n SER 81 Ca -0.02 0.30 -0.40 0.00 -0.26 0.00 0.00 58.87 58.49 3fa3 n SER 81 Cb 0.18 -0.30 -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 -3.00 5.04 0.34 6.66 2.01 0.04 -4.84 115.64 121.88 3fa3 s THR 82 Ca 0.13 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.81 3fa3 s THR 82 Cb 0.18 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 3fa3 s THR 82 CO 0.58 0.07 1.39 -2.84 -0.69 0.00 0.00 174.62 173.13 3fa3 s PRO 83 N 2.38 4.25 -0.14 4.92 0.02 -1.26 -4.89 135.00 140.27 3fa3 s PRO 83 Ca 0.23 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 63.61 3fa3 s PRO 83 Cb -0.16 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.36 3fa3 s PRO 83 CO 0.09 -0.35 -0.08 0.08 -0.33 0.00 0.00 177.00 176.41 3fa3 s VAL 84 N -0.99 1.20 -0.20 3.83 1.01 -1.26 -1.31 120.40 122.67 3fa3 s VAL 84 Ca 0.52 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3fa3 s VAL 84 Cb -0.43 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3fa3 s VAL 84 CO 0.56 0.28 0.46 -0.63 0.00 0.00 0.00 175.10 175.77 3fa3 s ILE 85 N 1.62 5.15 -0.14 2.22 1.01 0.20 -1.70 121.20 129.56 3fa3 s ILE 85 Ca 0.03 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.53 3fa3 s ILE 85 Cb -0.14 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3fa3 s ILE 85 CO -0.08 0.22 -0.20 0.00 0.00 0.00 0.00 174.94 174.87 3fa3 s ALA 86 N 1.47 2.32 0.32 9.38 0.00 0.30 -1.32 121.76 134.23 3fa3 s ALA 86 Ca 0.21 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3fa3 s ALA 86 Cb -0.15 -1.05 -0.12 0.00 0.00 0.00 0.00 23.12 21.81 3fa3 s ALA 86 CO 0.09 0.00 1.47 -3.47 0.00 0.00 0.00 175.76 173.85 3fa3 n ASP 87 N 4.01 3.44 -0.68 0.00 -0.08 -0.98 -2.35 116.55 119.92 3fa3 n ASP 87 Ca -0.20 1.19 0.03 0.00 -1.51 0.00 0.00 54.79 54.30 3fa3 n ASP 87 Cb 0.52 -1.56 0.05 0.00 2.34 0.00 0.00 41.12 42.47 3fa3 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fa3 n ALA 88 N 1.16 2.28 -0.16 -1.67 0.00 -0.77 -4.78 120.51 116.57 3fa3 n ALA 88 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.68 3fa3 n ALA 88 Cb 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.23 0.00 -0.99 0.00 10.43 -1.22 -1.19 116.55 123.35 3fa3 n ASP 89 Ca 0.06 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.52 3fa3 n ASP 89 Cb 0.80 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.93 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 0.44 -0.30 -3.53 -2.24 -1.26 -0.59 114.28 106.80 3fa3 n THR 90 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3fa3 n THR 90 Cb 0.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.27 0.83 2.33 3.38 0.00 -0.34 -4.50 105.19 108.16 3fa3 n GLY 91 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.27 0.00 0.00 1.61 4.02 -1.26 -3.00 117.16 116.26 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 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 38.57 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa3 n GLY 93 N -1.67 -0.43 0.00 2.72 0.00 -1.26 -4.86 105.19 99.68 3fa3 n GLY 93 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.53 0.33 -0.02 0.00 -1.26 -4.71 105.19 100.05 3fa3 n GLY 94 Ca 0.00 -1.89 0.22 0.00 0.00 0.00 0.00 46.02 44.35 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 0.07 -0.15 1.61 0.11 -1.94 -0.70 132.00 131.00 3fa3 h PRO 95 Ca 0.00 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 3fa3 h PRO 95 Cb 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3fa3 h PRO 95 CO 0.00 0.05 -0.04 0.82 -0.21 0.00 0.00 178.00 178.61 3fa3 h ILE 96 N 0.07 0.83 -0.16 4.15 2.04 -1.97 0.45 117.51 122.92 3fa3 h ILE 96 Ca 0.70 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.39 3fa3 h ILE 96 Cb 1.63 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3fa3 h ILE 96 CO -0.79 0.00 -0.61 0.24 0.00 0.00 0.00 178.15 176.99 3fa3 h MET 97 N -0.01 0.54 -0.59 2.37 2.86 -1.51 -2.47 114.93 116.11 3fa3 h MET 97 Ca 0.08 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 3fa3 h MET 97 Cb 0.12 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3fa3 h MET 97 CO -0.16 0.98 0.29 0.28 1.06 0.00 0.00 176.91 179.36 3fa3 h VAL 98 N 0.40 1.19 -0.40 -2.22 2.07 -0.84 -0.93 116.25 115.53 3fa3 h VAL 98 Ca -0.00 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3fa3 h VAL 98 Cb 1.16 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3fa3 h VAL 98 CO 0.11 0.22 0.10 0.00 0.02 0.00 0.00 177.57 178.02 3fa3 h ALA 99 N 1.49 0.53 -0.10 1.67 0.00 -0.72 -1.68 119.26 120.45 3fa3 h ALA 99 Ca 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 99 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fa3 h ALA 99 CO -0.03 0.21 -0.22 0.00 0.00 0.00 0.00 179.25 179.20 3fa3 h ARG 100 N 0.51 0.16 0.66 0.00 3.08 -0.79 0.65 114.38 118.66 3fa3 h ARG 100 Ca 0.13 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3fa3 h ARG 100 Cb 0.31 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3fa3 h ARG 100 CO 0.00 0.39 -0.32 1.15 -1.07 0.00 0.00 179.97 180.12 3fa3 h THR 101 N 0.15 0.26 -0.95 2.04 2.02 -1.11 -0.02 112.91 115.29 3fa3 h THR 101 Ca 0.03 -0.21 0.16 0.00 0.77 0.00 0.00 66.41 67.16 3fa3 h THR 101 Cb 0.49 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.13 3fa3 h THR 101 CO 0.03 0.02 0.60 0.74 0.37 0.00 0.00 175.52 177.29 3fa3 h THR 102 N -1.05 0.80 0.05 3.16 2.02 -0.90 0.44 112.91 117.44 3fa3 h THR 102 Ca -0.09 -0.26 -0.27 0.00 0.77 0.00 0.00 66.41 66.56 3fa3 h THR 102 Cb 0.72 -0.02 0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3fa3 h THR 102 CO 0.15 0.14 -1.07 -0.33 0.37 0.00 0.00 175.52 174.78 3fa3 h GLU 103 N 0.76 0.64 0.00 6.66 5.08 -0.71 -2.17 114.58 124.84 3fa3 h GLU 103 Ca 0.50 -0.75 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 3fa3 h GLU 103 Cb 0.76 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3fa3 h GLU 103 CO -0.26 1.33 -0.73 1.96 -1.00 0.00 0.00 179.01 180.31 3fa3 h GLN 104 N 0.29 0.00 -0.17 2.33 4.20 -0.36 -2.10 115.11 119.29 3fa3 h GLN 104 Ca -0.15 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 3fa3 h GLN 104 Cb 1.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 3fa3 h GLN 104 CO 0.21 0.73 -0.38 1.88 -0.67 0.00 0.00 178.83 180.59 3fa3 h TYR 105 N 0.00 0.45 -0.00 2.96 -1.99 -0.07 -1.07 116.97 117.25 3fa3 h TYR 105 Ca -0.01 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.57 3fa3 h TYR 105 Cb 1.51 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.14 3fa3 h TYR 105 CO 0.00 0.71 -0.12 0.77 -0.00 0.00 0.00 178.16 179.53 3fa3 h SER 106 N 0.32 0.11 -0.99 3.88 0.02 -1.19 -1.05 113.55 114.66 3fa3 h SER 106 Ca 0.03 -0.76 0.18 0.00 -0.84 0.00 0.00 61.79 60.40 3fa3 h SER 106 Cb 0.82 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.22 3fa3 h SER 106 CO 0.07 0.85 0.59 0.03 -1.14 0.00 0.00 176.83 177.23 3fa3 h ARG 107 N -0.63 0.74 0.00 3.45 3.08 -1.35 0.49 114.38 120.17 3fa3 h ARG 107 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3fa3 h ARG 107 Cb 0.87 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3fa3 h ARG 107 CO 0.02 0.49 0.00 0.43 -1.07 0.00 0.00 179.97 179.84 3fa3 n SER 108 N -4.77 0.00 0.00 7.04 7.64 -0.41 -4.85 113.62 118.27 3fa3 n SER 108 Ca 0.22 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.38 3fa3 n SER 108 Cb 0.54 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.21 0.76 3.74 0.23 0.00 0.16 -4.72 105.19 105.16 3fa3 n GLY 109 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3fa3 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 110 N -2.30 2.35 0.01 1.61 1.01 -0.42 -4.31 120.40 118.36 3fa3 s VAL 110 Ca 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 3fa3 s VAL 110 Cb 0.00 -3.18 -0.26 0.00 0.00 0.00 0.00 36.38 32.94 3fa3 s VAL 110 CO 0.00 0.04 1.07 0.00 0.00 0.00 0.00 175.10 176.21 3fa3 h ALA 111 N 5.45 0.04 -2.83 5.51 0.00 -1.64 -3.40 119.26 122.38 3fa3 h ALA 111 Ca -0.45 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 53.78 3fa3 h ALA 111 Cb 1.21 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 3fa3 h ALA 111 CO 0.83 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 180.52 3fa3 s ALA 112 N -3.05 -0.90 0.05 0.00 0.00 -0.94 -1.41 121.76 115.52 3fa3 s ALA 112 Ca -0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 3fa3 s ALA 112 Cb 0.04 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.99 3fa3 s ALA 112 CO 0.86 -0.75 0.29 -0.59 0.00 0.00 0.00 175.76 175.56 3fa3 s PHE 113 N -3.86 -0.07 0.07 0.00 -0.12 -0.88 0.11 117.98 113.23 3fa3 s PHE 113 Ca 0.08 -0.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 3fa3 s PHE 113 Cb -0.00 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3fa3 s PHE 113 CO -0.05 -0.51 -0.03 -3.38 -0.05 0.00 0.00 175.22 171.20 3fa3 s HIS 114 N -2.73 2.93 -0.07 3.49 -3.43 -0.99 -1.34 115.29 113.15 3fa3 s HIS 114 Ca -0.04 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 3fa3 s HIS 114 Cb -0.00 -1.54 0.02 0.00 -1.43 0.00 0.00 32.58 29.63 3fa3 s HIS 114 CO -0.05 0.45 -0.06 0.42 -2.00 0.00 0.00 174.74 173.51 3fa3 s ILE 115 N -1.22 0.75 0.00 -5.38 1.01 -0.37 -1.86 121.20 114.13 3fa3 s ILE 115 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3fa3 s ILE 115 Cb -0.11 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3fa3 s ILE 115 CO 0.15 0.29 0.00 -1.84 0.00 0.00 0.00 174.94 173.54 3fa3 n GLU 116 N 4.45 1.60 -0.64 2.79 0.28 0.24 -0.27 120.64 129.08 3fa3 n GLU 116 Ca -0.18 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.88 3fa3 n GLU 116 Cb 0.51 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.58 3fa3 n GLU 116 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fa3 n ASP 117 N -2.05 1.70 -4.46 -1.84 5.75 -1.21 -4.73 116.55 109.71 3fa3 n ASP 117 Ca 0.00 -3.83 -0.26 0.00 -0.01 0.00 0.00 54.79 50.69 3fa3 n ASP 117 Cb 0.00 -0.52 0.14 0.00 -1.03 0.00 0.00 41.12 39.71 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa3 s GLN 118 N -3.11 1.26 0.82 0.11 -0.21 -1.26 -2.08 119.66 115.20 3fa3 s GLN 118 Ca 0.38 -0.75 -0.11 0.00 0.02 0.00 0.00 55.36 54.90 3fa3 s GLN 118 Cb 0.37 -2.11 0.09 0.00 1.00 0.00 0.00 33.01 32.36 3fa3 s GLN 118 CO -0.07 -1.86 1.09 0.14 -2.12 0.00 0.00 175.29 172.47 3fa3 s VAL 119 N -3.48 3.04 0.53 1.09 -7.23 -0.78 -4.47 120.40 109.10 3fa3 s VAL 119 Ca 0.69 0.34 0.18 0.00 -1.81 0.00 0.00 61.98 61.38 3fa3 s VAL 119 Cb -0.05 -2.80 0.29 0.00 0.56 0.00 0.00 36.38 34.38 3fa3 s VAL 119 CO 0.48 -0.44 2.14 -0.61 -0.31 0.00 0.00 175.10 176.36 3fa3 h GLN 120 N -1.31 0.00 -3.75 4.82 4.15 -1.97 -2.82 115.11 114.23 3fa3 h GLN 120 Ca -0.46 0.00 -0.75 0.00 0.77 0.00 0.00 58.65 58.22 3fa3 h GLN 120 Cb 1.25 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.80 3fa3 h GLN 120 CO 0.52 0.00 2.09 0.25 -1.93 0.00 0.00 178.83 179.76 3fa3 n THR 121 N -4.47 4.22 -1.93 2.39 -2.24 -1.26 -4.80 114.28 106.19 3fa3 n THR 121 Ca -0.02 -4.26 -0.30 0.00 -2.27 0.00 0.00 64.05 57.21 3fa3 n THR 121 Cb 0.15 -2.40 0.19 0.00 -2.10 0.00 0.00 70.33 66.17 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 0.93 0.62 0.04 -0.78 0.00 -1.07 -4.77 119.74 114.71 3fa3 s LYS 122 Ca 0.41 -0.42 -0.00 0.00 0.00 0.00 0.00 55.97 55.96 3fa3 s LYS 122 Cb 0.09 -1.85 -0.03 0.00 0.00 0.00 0.00 37.83 36.04 3fa3 s LYS 122 CO -0.01 -2.43 -0.04 0.50 0.00 0.00 0.00 175.35 173.38 3fa3 s ARG 123 N -5.89 0.49 0.40 1.78 3.52 -1.26 -0.82 118.95 117.17 3fa3 s ARG 123 Ca 0.74 -0.93 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 3fa3 s ARG 123 Cb -0.04 0.08 -0.11 0.00 -1.56 0.00 0.00 34.95 33.33 3fa3 s ARG 123 CO 0.53 -0.06 1.04 0.00 -0.81 0.00 0.00 175.30 176.00 3fa3 h GLY 125 N 1.69 0.00 0.44 0.00 0.00 -2.00 -2.33 103.07 100.87 3fa3 h GLY 125 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3fa3 h GLY 125 CO 0.58 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.54 3fa3 n HIS 126 N -2.59 0.00 -2.47 5.60 8.25 -1.26 -4.86 115.22 117.89 3fa3 n HIS 126 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 3fa3 n HIS 126 Cb 0.49 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.44 3.07 0.57 2.41 1.43 -0.88 -4.79 118.68 119.05 3fa3 s LEU 127 Ca 0.21 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 3fa3 s LEU 127 Cb 0.10 -2.83 0.07 0.00 0.03 0.00 0.00 46.19 43.56 3fa3 s LEU 127 CO 0.16 -1.42 0.79 0.00 0.23 0.00 0.00 176.35 176.12 3fa3 s ALA 128 N -2.99 4.23 -0.67 4.21 0.00 -1.26 -4.57 121.76 120.70 3fa3 s ALA 128 Ca 0.60 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3fa3 s ALA 128 Cb -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.24 3fa3 s ALA 128 CO 0.41 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3fa3 n GLY 129 N -2.33 0.47 3.76 0.00 0.00 -1.26 -4.98 105.19 100.86 3fa3 n GLY 129 Ca 0.12 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa3 s LYS 130 N -3.54 4.56 -0.16 1.61 1.02 -1.26 -5.01 119.74 116.96 3fa3 s LYS 130 Ca 0.00 1.67 -0.06 0.00 0.02 0.00 0.00 55.97 57.61 3fa3 s LYS 130 Cb 0.00 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3fa3 s LYS 130 CO 0.00 0.18 0.02 0.42 -0.92 0.00 0.00 175.35 175.05 3fa3 s ILE 131 N -1.30 4.43 0.50 2.17 -1.09 -1.26 -4.93 121.20 119.72 3fa3 s ILE 131 Ca 0.47 -0.17 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 3fa3 s ILE 131 Cb -0.28 -2.96 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 3fa3 s ILE 131 CO 0.36 0.49 0.50 -0.76 -1.23 0.00 0.00 174.94 174.30 3fa3 s LEU 132 N 0.22 3.07 0.18 2.97 1.43 -1.26 -1.86 118.68 123.43 3fa3 s LEU 132 Ca 0.01 -0.94 0.09 0.00 -1.03 0.00 0.00 54.13 52.26 3fa3 s LEU 132 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3fa3 s LEU 132 CO 0.01 -1.00 -0.18 0.68 0.23 0.00 0.00 176.35 176.09 3fa3 s VAL 133 N -2.63 1.89 0.70 -1.59 -7.23 -0.88 -4.48 120.40 106.19 3fa3 s VAL 133 Ca 0.47 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.47 3fa3 s VAL 133 Cb -0.04 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.99 3fa3 s VAL 133 CO 0.28 -0.34 1.17 -0.90 -0.31 0.00 0.00 175.10 175.00 3fa3 n ASP 134 N 0.14 1.36 -0.31 4.85 5.75 -1.26 -4.69 116.55 122.38 3fa3 n ASP 134 Ca -0.12 0.73 0.04 0.00 -0.01 0.00 0.00 54.79 55.43 3fa3 n ASP 134 Cb 0.58 -1.50 0.11 0.00 -1.03 0.00 0.00 41.12 39.28 3fa3 n ASP 134 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3fa3 h THR 135 N -0.02 0.11 -0.55 2.12 2.02 -1.99 -1.35 112.91 113.25 3fa3 h THR 135 Ca -0.49 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.79 3fa3 h THR 135 Cb 1.33 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 3fa3 h THR 135 CO 0.50 0.00 0.12 0.44 0.37 0.00 0.00 175.52 176.94 3fa3 h ASP 136 N -0.00 0.01 -0.13 4.18 3.45 -1.99 0.40 116.42 122.34 3fa3 h ASP 136 Ca 0.42 0.10 -0.17 0.00 0.43 0.00 0.00 57.03 57.81 3fa3 h ASP 136 Cb 0.64 0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3fa3 h ASP 136 CO -0.91 0.03 -0.53 0.74 -1.57 0.00 0.00 179.24 177.00 3fa3 h THR 137 N 0.25 1.30 0.10 0.35 2.02 -1.63 0.12 112.91 115.41 3fa3 h THR 137 Ca 0.28 -1.74 0.01 0.00 0.77 0.00 0.00 66.41 65.73 3fa3 h THR 137 Cb 0.39 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3fa3 h THR 137 CO -0.36 0.56 -0.38 0.22 0.37 0.00 0.00 175.52 175.93 3fa3 h TYR 138 N 0.55 -1.09 -0.47 3.16 3.20 -1.08 -3.18 116.97 118.06 3fa3 h TYR 138 Ca 0.02 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.01 3fa3 h TYR 138 Cb 1.10 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 39.81 3fa3 h TYR 138 CO 0.06 -0.43 0.32 0.28 -1.64 0.00 0.00 178.16 176.75 3fa3 h VAL 139 N -0.54 0.86 -0.84 1.81 2.07 -0.08 0.18 116.25 119.70 3fa3 h VAL 139 Ca -0.01 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.57 3fa3 h VAL 139 Cb 0.54 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 3fa3 h VAL 139 CO -0.20 0.04 0.46 0.74 0.02 0.00 0.00 177.57 178.62 3fa3 h THR 140 N 0.20 0.80 -0.65 2.57 2.02 -0.98 0.31 112.91 117.18 3fa3 h THR 140 Ca 0.22 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3fa3 h THR 140 Cb 0.60 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3fa3 h THR 140 CO -0.04 0.13 0.15 0.03 0.37 0.00 0.00 175.52 176.16 3fa3 h ARG 141 N 0.70 1.05 -0.16 6.66 3.08 -0.65 -1.12 114.38 123.94 3fa3 h ARG 141 Ca 0.44 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3fa3 h ARG 141 Cb 0.54 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3fa3 h ARG 141 CO -0.32 0.95 -0.25 0.82 -1.07 0.00 0.00 179.97 180.11 3fa3 h ILE 142 N 0.98 1.35 -0.99 2.04 1.08 -1.39 -1.90 117.51 118.68 3fa3 h ILE 142 Ca 0.20 -1.47 0.03 0.00 -0.39 0.00 0.00 64.86 63.24 3fa3 h ILE 142 Cb 0.37 1.91 -0.06 0.00 -3.07 0.00 0.00 36.82 35.98 3fa3 h ILE 142 CO 0.00 0.44 0.65 -0.09 -0.69 0.00 0.00 178.15 178.46 3fa3 h ARG 143 N 0.09 1.22 -0.11 2.37 2.43 -0.77 -0.45 114.38 119.16 3fa3 h ARG 143 Ca 0.02 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3fa3 h ARG 143 Cb 0.82 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3fa3 h ARG 143 CO 0.06 0.81 -0.26 0.00 -1.51 0.00 0.00 179.97 179.06 3fa3 h ALA 144 N 1.42 1.35 -0.02 2.80 0.00 -0.94 -1.49 119.26 122.38 3fa3 h ALA 144 Ca 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fa3 h ALA 144 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fa3 h ALA 144 CO -0.12 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 3fa3 h ALA 145 N 1.55 0.03 0.10 0.00 0.00 -0.29 0.15 119.26 120.79 3fa3 h ALA 145 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fa3 h ALA 145 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fa3 h ALA 145 CO 0.04 -0.09 -0.05 -0.24 0.00 0.00 0.00 179.25 178.91 3fa3 h VAL 146 N -0.53 1.04 -0.74 0.00 3.04 -1.29 -0.67 116.25 117.10 3fa3 h VAL 146 Ca -0.00 -0.55 0.14 0.00 -1.01 0.00 0.00 66.70 65.28 3fa3 h VAL 146 Cb 0.72 1.39 -0.14 0.00 -2.01 0.00 0.00 31.29 31.25 3fa3 h VAL 146 CO 0.02 0.13 -0.23 1.56 -1.01 0.00 0.00 177.57 178.04 3fa3 h GLN 147 N -0.39 -0.03 -0.63 4.17 4.20 -1.37 0.33 115.11 121.39 3fa3 h GLN 147 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fa3 h GLN 147 Cb 0.32 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3fa3 h GLN 147 CO 0.02 -0.02 0.38 0.00 -0.67 0.00 0.00 178.83 178.54 3fa3 h ALA 148 N 1.59 1.49 0.00 3.87 0.00 -0.09 -1.84 119.26 124.28 3fa3 h ALA 148 Ca 0.34 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3fa3 h ALA 148 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fa3 h ALA 148 CO -0.78 0.45 -0.84 -0.09 0.00 0.00 0.00 179.25 177.99 3fa3 h ARG 149 N 0.86 0.09 -0.02 0.00 2.43 -0.04 -2.93 114.38 114.78 3fa3 h ARG 149 Ca 0.23 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3fa3 h ARG 149 Cb -0.03 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3fa3 h ARG 149 CO -0.04 0.88 -0.18 1.96 -1.51 0.00 0.00 179.97 181.08 3fa3 h GLN 150 N 0.05 0.16 -1.00 0.20 4.20 -0.27 0.75 115.11 119.20 3fa3 h GLN 150 Ca -0.03 -0.14 0.30 0.00 0.06 0.00 0.00 58.65 58.85 3fa3 h GLN 150 Cb 1.47 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 29.14 3fa3 h GLN 150 CO 0.12 0.83 0.57 -0.09 -0.67 0.00 0.00 178.83 179.58 3fa3 h ARG 151 N -0.47 0.36 -0.71 1.46 2.43 -1.36 -2.11 114.38 113.98 3fa3 h ARG 151 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3fa3 h ARG 151 Cb 0.87 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3fa3 h ARG 151 CO 0.04 0.24 0.00 0.44 -1.51 0.00 0.00 179.97 179.17 3fa3 n ILE 152 N -5.02 1.07 -1.84 1.20 -5.35 -1.11 -4.92 119.36 103.39 3fa3 n ILE 152 Ca 0.31 -1.02 -0.11 0.00 -0.27 0.00 0.00 62.75 61.65 3fa3 n ILE 152 Cb 0.93 0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 39.28 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 1.56 0.48 3.84 3.28 0.00 -0.79 -4.99 105.19 108.58 3fa3 n GLY 153 Ca 0.24 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 6.88 0.00 1.61 0.15 0.23 -4.96 113.70 114.95 3fa3 s SER 154 Ca 0.00 1.30 0.25 0.00 0.70 0.00 0.00 55.95 58.20 3fa3 s SER 154 Cb 0.00 -2.38 0.41 0.00 -1.71 0.00 0.00 66.02 62.34 3fa3 s SER 154 CO 0.00 -0.09 1.38 0.47 1.20 0.00 0.00 173.24 176.21 3fa3 n ASP 155 N 0.14 2.66 -4.47 5.45 8.00 -1.26 -4.62 116.55 122.44 3fa3 n ASP 155 Ca 0.01 -1.88 -0.44 0.00 0.71 0.00 0.00 54.79 53.19 3fa3 n ASP 155 Cb 0.52 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.07 1.82 -3.24 0.53 3.06 -1.26 -4.58 119.36 116.77 3fa3 n ILE 156 Ca 0.16 -0.50 -0.40 0.00 -2.50 0.00 0.00 62.75 59.50 3fa3 n ILE 156 Cb 0.54 -0.52 -0.08 0.00 0.54 0.00 0.00 39.64 40.12 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 -1.28 5.04 -0.19 9.51 1.01 -0.50 -4.98 120.40 129.01 3fa3 s VAL 157 Ca 0.62 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 3fa3 s VAL 157 Cb -0.70 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3fa3 s VAL 157 CO 0.58 -0.04 1.01 -0.69 0.00 0.00 0.00 175.10 175.96 3fa3 s VAL 158 N 2.36 4.73 -0.26 2.92 1.01 -1.26 -2.07 120.40 127.82 3fa3 s VAL 158 Ca 0.20 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.18 3fa3 s VAL 158 Cb -0.15 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.98 3fa3 s VAL 158 CO 0.11 -0.11 -0.08 -0.63 0.00 0.00 0.00 175.10 174.39 3fa3 s ILE 159 N 2.80 2.57 -0.19 2.22 1.01 -0.45 -0.11 121.20 129.05 3fa3 s ILE 159 Ca 0.44 -1.33 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3fa3 s ILE 159 Cb -0.16 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 3fa3 s ILE 159 CO 0.10 0.07 1.09 0.00 0.00 0.00 0.00 174.94 176.20 3fa3 s ALA 160 N 1.22 3.64 0.07 9.38 0.00 -0.89 -1.23 121.76 133.94 3fa3 s ALA 160 Ca -0.04 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.28 3fa3 s ALA 160 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3fa3 s ALA 160 CO -0.05 -1.00 -0.16 0.50 0.00 0.00 0.00 175.76 175.05 3fa3 s ARG 161 N 3.06 2.03 -0.02 0.00 3.52 0.62 -0.47 118.95 127.69 3fa3 s ARG 161 Ca 0.48 -1.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 3fa3 s ARG 161 Cb -0.17 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.00 3fa3 s ARG 161 CO 0.10 0.52 -0.13 -0.08 -0.81 0.00 0.00 175.30 174.90 3fa3 s THR 162 N -1.04 1.06 -1.01 4.11 -1.32 -0.50 -3.34 115.64 113.60 3fa3 s THR 162 Ca 0.17 -0.55 0.14 0.00 -1.21 0.00 0.00 61.69 60.24 3fa3 s THR 162 Cb -0.11 -0.90 0.43 0.00 -1.51 0.00 0.00 72.50 70.42 3fa3 s THR 162 CO 0.08 0.31 1.36 0.47 -2.21 0.00 0.00 174.62 174.63 3fa3 n ASP 163 N 2.95 3.40 0.00 8.08 8.00 -1.26 -2.32 116.55 135.40 3fa3 n ASP 163 Ca -0.16 -2.18 0.12 0.00 0.71 0.00 0.00 54.79 53.28 3fa3 n ASP 163 Cb 0.55 -0.35 0.59 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.62 0.00 0.17 -2.24 3.41 -1.26 -3.84 113.62 110.49 3fa3 n SER 164 Ca 0.16 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 3fa3 n SER 164 Cb 0.56 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.32 -1.01 1.04 5.85 -1.83 0.15 115.31 119.19 3fa3 h LEU 165 Ca 0.00 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3fa3 h LEU 165 Cb 0.25 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3fa3 h LEU 165 CO 0.00 -0.22 -0.35 0.06 -0.34 0.00 0.00 178.44 177.59 3fa3 h GLN 166 N -0.37 0.27 0.00 1.25 3.07 -1.93 -1.61 115.11 115.79 3fa3 h GLN 166 Ca -0.03 -0.11 -0.16 0.00 0.09 0.00 0.00 58.65 58.43 3fa3 h GLN 166 Cb 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 3fa3 h GLN 166 CO 0.05 0.59 -1.15 0.25 0.09 0.00 0.00 178.83 178.66 3fa3 n THR 167 N -4.08 1.49 1.03 1.86 -2.24 -1.21 -4.69 114.28 106.44 3fa3 n THR 167 Ca -0.01 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 3fa3 n THR 167 Cb 0.44 -2.18 0.03 0.00 -2.10 0.00 0.00 70.33 66.52 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 -4.47 0.00 0.00 4.78 8.25 0.52 -5.08 115.22 119.21 3fa3 n HIS 168 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3fa3 n HIS 168 Cb 0.55 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 1.42 -0.78 0.11 -1.41 0.00 -0.61 -4.52 105.19 99.39 3fa3 n GLY 169 Ca 0.09 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.11 -0.29 1.61 9.36 -1.26 -1.69 117.16 124.79 3fa3 n TYR 170 Ca 0.00 0.32 0.09 0.00 3.32 0.00 0.00 57.90 61.63 3fa3 n TYR 170 Cb 0.00 -0.41 0.25 0.00 -0.63 0.00 0.00 39.34 38.55 3fa3 n TYR 170 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 3fa3 h GLU 171 N 0.00 0.41 -0.95 2.98 9.09 -1.97 -0.42 114.58 123.73 3fa3 h GLU 171 Ca 0.04 -0.02 0.02 0.00 0.05 0.00 0.00 59.36 59.45 3fa3 h GLU 171 Cb 0.10 -0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 27.06 3fa3 h GLU 171 CO -0.24 0.27 0.63 1.49 0.05 0.00 0.00 179.01 181.21 3fa3 h GLU 172 N 0.42 1.21 0.37 1.06 4.57 -1.56 -2.53 114.58 118.12 3fa3 h GLU 172 Ca 0.49 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.59 3fa3 h GLU 172 Cb 0.85 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3fa3 h GLU 172 CO -0.48 0.80 -0.27 0.77 -1.18 0.00 0.00 179.01 178.66 3fa3 h SER 173 N 1.24 -0.69 -0.83 1.04 0.02 -0.98 0.11 113.55 113.47 3fa3 h SER 173 Ca 0.36 0.05 0.14 0.00 -0.84 0.00 0.00 61.79 61.50 3fa3 h SER 173 Cb -0.07 0.22 -0.15 0.00 0.14 0.00 0.00 62.40 62.53 3fa3 h SER 173 CO -0.09 -0.41 -0.33 0.58 -1.14 0.00 0.00 176.83 175.44 3fa3 h VAL 174 N -0.63 0.09 -0.02 2.27 2.07 -1.52 0.47 116.25 118.98 3fa3 h VAL 174 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3fa3 h VAL 174 Cb 0.54 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3fa3 h VAL 174 CO 0.01 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.61 3fa3 h ALA 175 N 1.38 0.02 -0.74 1.67 0.00 -0.98 0.49 119.26 121.10 3fa3 h ALA 175 Ca 0.33 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.38 3fa3 h ALA 175 Cb 0.59 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3fa3 h ALA 175 CO -0.86 -0.48 0.49 0.00 0.00 0.00 0.00 179.25 178.40 3fa3 h ARG 176 N 0.02 0.40 0.11 0.00 3.08 -0.27 -1.52 114.38 116.21 3fa3 h ARG 176 Ca 0.01 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 3fa3 h ARG 176 Cb 0.00 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 29.97 3fa3 h ARG 176 CO -0.01 0.27 -1.20 -0.07 -1.07 0.00 0.00 179.97 177.89 3fa3 h LEU 177 N 0.41 0.55 -0.62 3.04 3.38 0.85 -2.95 115.31 119.98 3fa3 h LEU 177 Ca 0.36 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3fa3 h LEU 177 Cb 0.82 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3fa3 h LEU 177 CO -0.11 1.40 0.26 0.03 0.09 0.00 0.00 178.44 180.10 3fa3 h ARG 178 N 0.14 0.92 -0.96 1.13 3.08 -0.22 0.22 114.38 118.69 3fa3 h ARG 178 Ca -0.14 -0.16 0.19 0.00 0.07 0.00 0.00 59.98 59.94 3fa3 h ARG 178 Cb 1.89 -0.15 -0.11 0.00 0.08 0.00 0.00 29.97 31.68 3fa3 h ARG 178 CO 0.21 0.77 0.55 0.00 -1.07 0.00 0.00 179.97 180.43 3fa3 h ALA 179 N 1.11 1.57 -0.29 0.04 0.00 -1.38 0.37 119.26 120.68 3fa3 h ALA 179 Ca 0.21 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 179 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fa3 h ALA 179 CO -0.02 -0.11 -0.55 0.00 0.00 0.00 0.00 179.25 178.57 3fa3 h ALA 180 N 1.64 0.46 -0.31 0.00 0.00 -0.66 -0.27 119.26 120.12 3fa3 h ALA 180 Ca 0.56 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 180 Cb 0.90 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3fa3 h ALA 180 CO -0.40 0.68 0.03 -0.09 0.00 0.00 0.00 179.25 179.46 3fa3 h ARG 181 N 0.68 0.12 0.00 0.00 2.43 -0.21 -1.86 114.38 115.54 3fa3 h ARG 181 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3fa3 h ARG 181 Cb 1.16 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3fa3 h ARG 181 CO 0.12 0.08 0.00 -0.44 -1.51 0.00 0.00 179.97 178.22 3fa3 h ASP 182 N 0.13 0.00 0.35 -3.80 3.32 -0.37 0.53 116.42 116.58 3fa3 h ASP 182 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3fa3 h ASP 182 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3fa3 h ASP 182 CO -0.22 0.00 -0.13 0.00 -1.72 0.00 0.00 179.24 177.17 3fa3 n ALA 183 N -2.05 2.80 0.00 3.45 0.00 -0.17 -4.94 120.51 119.60 3fa3 n ALA 183 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3fa3 n ALA 183 Cb 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.29 0.73 3.56 0.00 0.00 0.18 -4.71 105.19 106.25 3fa3 n GLY 184 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 185 N -1.03 -0.33 -0.03 4.61 0.00 -0.99 -4.93 120.51 117.80 3fa3 n ALA 185 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 3fa3 n ALA 185 Cb 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 19.45 17.33 3fa3 n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 186 N 0.32 0.39 -3.81 0.00 8.00 0.84 -4.67 116.55 117.62 3fa3 n ASP 186 Ca 0.11 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 3fa3 n ASP 186 Cb 0.43 0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 42.21 3fa3 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa3 s VAL 187 N -2.85 0.03 -0.04 2.53 1.01 -1.12 -4.37 120.40 115.59 3fa3 s VAL 187 Ca -0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 3fa3 s VAL 187 Cb 0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3fa3 s VAL 187 CO 0.84 -0.14 0.22 -0.83 0.00 0.00 0.00 175.10 175.18 3fa3 s GLY 188 N -0.49 2.22 -0.40 4.51 0.00 0.59 -2.10 107.32 111.65 3fa3 s GLY 188 Ca -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.06 3fa3 s GLY 188 CO 0.01 -0.40 0.23 -0.12 0.00 0.00 0.00 173.10 172.83 3fa3 s PHE 189 N -1.20 1.33 -0.82 1.90 5.99 0.38 -0.80 117.98 124.76 3fa3 s PHE 189 Ca 0.23 -2.03 -0.25 0.00 0.00 0.00 0.00 56.93 54.88 3fa3 s PHE 189 Cb -0.13 -1.36 0.05 0.00 0.00 0.00 0.00 43.02 41.57 3fa3 s PHE 189 CO 0.12 -0.81 1.27 -1.17 -0.00 0.00 0.00 175.22 174.64 3fa3 s LEU 190 N 0.68 3.56 0.37 6.12 0.20 -1.26 -1.40 118.68 126.93 3fa3 s LEU 190 Ca 0.19 -0.91 -0.27 0.00 0.69 0.00 0.00 54.13 53.82 3fa3 s LEU 190 Cb -0.22 -2.53 -0.10 0.00 -0.43 0.00 0.00 46.19 42.91 3fa3 s LEU 190 CO -0.01 -1.64 1.32 -0.70 -0.29 0.00 0.00 176.35 175.03 3fa3 s GLU 191 N 5.08 4.17 -1.48 1.98 2.56 -0.98 -3.59 118.70 126.44 3fa3 s GLU 191 Ca 0.36 2.22 -0.07 0.00 0.00 0.00 0.00 54.97 57.48 3fa3 s GLU 191 Cb -0.07 -2.93 0.01 0.00 2.00 0.00 0.00 34.13 33.14 3fa3 s GLU 191 CO 0.06 -0.35 0.86 0.41 -0.56 0.00 0.00 175.26 175.68 3fa3 n GLY 192 N 0.71 -0.54 3.48 -1.50 0.00 -1.26 -4.84 105.19 101.25 3fa3 n GLY 192 Ca 0.02 0.19 -0.49 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.74 1.48 0.65 -0.61 5.41 -1.24 -4.67 119.36 115.64 3fa3 n ILE 193 Ca -0.06 -0.37 0.09 0.00 1.00 0.00 0.00 62.75 63.41 3fa3 n ILE 193 Cb 0.60 -0.35 -0.11 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.56 0.00 -3.52 1.39 -2.24 -1.26 -3.64 114.28 105.57 3fa3 n THR 194 Ca 0.16 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3fa3 n THR 194 Cb 0.24 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.98 -0.53 0.00 3.42 1.04 -1.26 -4.53 113.70 108.87 3fa3 s SER 195 Ca 0.04 0.27 0.28 0.00 0.48 0.00 0.00 55.95 57.01 3fa3 s SER 195 Cb 0.13 0.53 1.30 0.00 0.10 0.00 0.00 66.02 68.08 3fa3 s SER 195 CO 0.73 -0.75 1.93 -2.11 0.98 0.00 0.00 173.24 174.02 3fa3 n ARG 196 N 0.33 0.19 0.03 4.02 1.85 -1.26 -1.71 116.66 120.11 3fa3 n ARG 196 Ca -0.18 0.02 -0.14 0.00 -1.00 0.00 0.00 57.85 56.55 3fa3 n ARG 196 Cb 0.61 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.49 3fa3 n ARG 196 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 3fa3 h GLU 197 N 0.00 0.57 -0.32 2.89 -0.00 -2.00 -3.00 114.58 112.71 3fa3 h GLU 197 Ca 0.00 -0.50 -0.02 0.00 -0.00 0.00 0.00 59.36 58.84 3fa3 h GLU 197 Cb 0.38 0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 29.23 3fa3 h GLU 197 CO 0.00 1.12 0.13 1.98 -0.00 0.00 0.00 179.01 182.24 3fa3 h MET 198 N 0.37 0.48 -0.23 1.06 4.05 -1.74 -1.75 114.93 117.18 3fa3 h MET 198 Ca -0.05 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.31 3fa3 h MET 198 Cb 1.42 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 32.08 3fa3 h MET 198 CO 0.15 0.49 -0.44 0.00 0.23 0.00 0.00 176.91 177.34 3fa3 h ALA 199 N 0.98 -0.74 -0.89 0.39 0.00 -1.41 0.45 119.26 118.04 3fa3 h ALA 199 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3fa3 h ALA 199 Cb 0.18 0.99 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3fa3 h ALA 199 CO -0.01 -0.92 0.57 0.00 0.00 0.00 0.00 179.25 178.89 3fa3 h ARG 200 N -0.38 0.86 -0.24 0.00 3.08 -1.51 -2.60 114.38 113.59 3fa3 h ARG 200 Ca 0.04 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3fa3 h ARG 200 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3fa3 h ARG 200 CO -0.42 0.57 -0.22 0.37 -1.07 0.00 0.00 179.97 179.20 3fa3 h GLN 201 N 0.89 0.45 0.00 0.04 5.75 0.72 -2.85 115.11 120.11 3fa3 h GLN 201 Ca 0.41 -0.16 -0.15 0.00 -0.15 0.00 0.00 58.65 58.60 3fa3 h GLN 201 Cb 0.39 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3fa3 h GLN 201 CO -0.17 0.65 -0.72 -0.24 -2.65 0.00 0.00 178.83 175.70 3fa3 h VAL 202 N 0.40 1.33 -0.32 2.39 3.04 -0.53 -0.71 116.25 121.86 3fa3 h VAL 202 Ca 0.06 -2.63 -0.18 0.00 -1.01 0.00 0.00 66.70 62.95 3fa3 h VAL 202 Cb 0.62 2.49 -0.00 0.00 -2.01 0.00 0.00 31.29 32.39 3fa3 h VAL 202 CO 0.04 0.70 -0.51 0.40 -1.01 0.00 0.00 177.57 177.20 3fa3 h ILE 203 N 0.00 1.27 -0.00 3.17 2.04 -1.28 -2.47 117.51 120.24 3fa3 h ILE 203 Ca -0.01 -1.68 -0.14 0.00 1.00 0.00 0.00 64.86 64.03 3fa3 h ILE 203 Cb 1.44 1.56 0.01 0.00 -0.74 0.00 0.00 36.82 39.09 3fa3 h ILE 203 CO 0.09 0.55 -0.53 0.06 0.00 0.00 0.00 178.15 178.33 3fa3 h GLN 204 N 0.70 0.36 -1.41 2.37 3.07 -1.48 -2.98 115.11 115.74 3fa3 h GLN 204 Ca 0.03 -0.39 0.44 0.00 0.09 0.00 0.00 58.65 58.82 3fa3 h GLN 204 Cb 1.11 0.11 -0.11 0.00 0.08 0.00 0.00 27.48 28.67 3fa3 h GLN 204 CO 0.12 1.06 0.95 -0.44 0.09 0.00 0.00 178.83 180.60 3fa3 h ASP 205 N -0.18 0.19 -1.53 0.06 3.32 -1.13 -0.38 116.42 116.77 3fa3 h ASP 205 Ca -0.06 0.10 -0.57 0.00 0.02 0.00 0.00 57.03 56.51 3fa3 h ASP 205 Cb 1.24 0.08 -0.42 0.00 0.22 0.00 0.00 39.33 40.46 3fa3 h ASP 205 CO 0.10 -0.11 -0.76 0.18 -1.72 0.00 0.00 179.24 176.93 3fa3 n LEU 206 N -4.50 4.46 -4.77 1.55 4.77 -0.93 -5.06 117.00 112.51 3fa3 n LEU 206 Ca 0.37 -5.15 -0.40 0.00 -0.03 0.00 0.00 56.01 50.80 3fa3 n LEU 206 Cb 1.49 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 42.16 3fa3 n LEU 206 CO 0.27 2.20 0.93 0.00 -1.33 0.00 0.00 177.39 179.46 3fa3 s ALA 207 N -3.50 3.37 0.00 -1.18 0.00 -0.16 -1.94 121.76 118.35 3fa3 s ALA 207 Ca 0.47 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3fa3 s ALA 207 Cb 0.40 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3fa3 s ALA 207 CO -0.17 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3fa3 n GLY 208 N 0.78 0.77 3.09 0.00 0.00 -1.26 -5.02 105.19 103.55 3fa3 n GLY 208 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.83 2.04 0.19 1.61 -0.00 -0.82 -5.10 118.94 114.03 3fa3 s TRP 209 Ca 0.00 -0.90 -0.30 0.00 -0.00 0.00 0.00 56.10 54.90 3fa3 s TRP 209 Cb 0.00 -1.44 -0.08 0.00 -0.00 0.00 0.00 33.47 31.95 3fa3 s TRP 209 CO 0.00 -0.43 1.13 -2.14 -0.00 0.00 0.00 176.95 175.51 3fa3 s PRO 210 N 0.77 4.56 0.15 5.86 0.02 -1.26 -4.78 135.00 140.32 3fa3 s PRO 210 Ca -0.11 1.78 0.09 0.00 0.02 0.00 0.00 61.00 62.78 3fa3 s PRO 210 Cb -0.16 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 3fa3 s PRO 210 CO 0.02 0.02 -0.16 -0.51 -0.33 0.00 0.00 177.00 176.04 3fa3 s LEU 211 N -0.39 2.75 -0.10 -5.54 1.43 -1.26 -0.30 118.68 115.27 3fa3 s LEU 211 Ca 0.50 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3fa3 s LEU 211 Cb -0.31 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3fa3 s LEU 211 CO 0.36 0.14 -0.17 -0.22 0.23 0.00 0.00 176.35 176.69 3fa3 s LEU 212 N -2.47 2.48 -0.25 1.79 0.20 0.02 -0.57 118.68 119.88 3fa3 s LEU 212 Ca 0.21 -0.39 -0.13 0.00 0.69 0.00 0.00 54.13 54.51 3fa3 s LEU 212 Cb -0.09 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 3fa3 s LEU 212 CO 0.12 0.20 0.28 -0.22 -0.29 0.00 0.00 176.35 176.43 3fa3 s LEU 213 N 0.15 4.08 -0.82 -0.68 2.96 0.66 -4.36 118.68 120.68 3fa3 s LEU 213 Ca -0.09 0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 3fa3 s LEU 213 Cb -0.16 -2.29 0.14 0.00 0.50 0.00 0.00 46.19 44.38 3fa3 s LEU 213 CO 0.06 -0.06 0.96 0.21 -1.32 0.00 0.00 176.35 176.20 3fa3 s ASN 214 N 1.38 6.52 -1.45 3.68 2.47 -1.26 -0.96 114.94 125.31 3fa3 s ASN 214 Ca 0.12 -1.93 -0.12 0.00 0.42 0.00 0.00 52.86 51.35 3fa3 s ASN 214 Cb -0.15 -2.35 0.04 0.00 -1.45 0.00 0.00 41.25 37.34 3fa3 s ASN 214 CO 0.08 -1.02 2.32 0.80 -3.72 0.00 0.00 177.10 175.56 3fa3 n MET 215 N 6.16 3.24 -3.09 0.43 0.00 -0.13 -4.77 117.12 118.96 3fa3 n MET 215 Ca 0.13 -2.73 -0.41 0.00 -0.00 0.00 0.00 57.70 54.69 3fa3 n MET 215 Cb 0.47 -3.10 -0.06 0.00 0.00 0.00 0.00 33.22 30.53 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 2.29 4.97 0.41 1.12 1.01 -1.26 -4.46 120.40 124.47 3fa3 s VAL 216 Ca 0.50 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 3fa3 s VAL 216 Cb 0.14 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3fa3 s VAL 216 CO -0.07 0.00 0.84 -1.61 0.00 0.00 0.00 175.10 174.26 3fa3 s GLU 217 N 2.55 3.96 -1.32 2.72 2.02 -1.26 -4.25 118.70 123.11 3fa3 s GLU 217 Ca 0.27 0.75 0.00 0.00 0.02 0.00 0.00 54.97 56.01 3fa3 s GLU 217 Cb -0.15 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3fa3 s GLU 217 CO 0.09 -0.03 0.00 0.72 0.02 0.00 0.00 175.26 176.05 3fa3 n HIS 218 N -0.98 -0.58 0.00 1.61 8.25 -1.26 -4.98 115.22 117.27 3fa3 n HIS 218 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3fa3 n HIS 218 Cb 0.54 -3.03 0.00 0.00 1.12 0.00 0.00 29.99 28.62 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 -1.04 1.25 0.03 -1.41 0.00 -1.26 -4.99 105.19 97.77 3fa3 n GLY 219 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 2.92 -2.87 4.61 0.00 -1.26 -4.87 120.51 116.04 3fa3 n ALA 220 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 52.87 3fa3 n ALA 220 Cb 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.06 4.63 0.61 0.00 2.01 -1.24 -4.07 115.64 114.52 3fa3 s THR 221 Ca 0.10 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 3fa3 s THR 221 Cb 0.16 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 3fa3 s THR 221 CO 0.65 0.43 1.14 -2.16 -0.69 0.00 0.00 174.62 173.99 3fa3 s PRO 222 N 0.70 2.97 0.18 4.92 0.04 -1.26 -4.40 135.00 138.15 3fa3 s PRO 222 Ca 0.03 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 3fa3 s PRO 222 Cb -0.13 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3fa3 s PRO 222 CO 0.02 -1.14 1.48 -1.12 0.04 0.00 0.00 177.00 176.28 3fa3 s SER 223 N -2.12 6.66 -0.11 6.66 0.01 -1.26 -4.99 113.70 118.56 3fa3 s SER 223 Ca 0.71 2.57 -0.06 0.00 1.31 0.00 0.00 55.95 60.48 3fa3 s SER 223 Cb -0.24 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.44 3fa3 s SER 223 CO 0.35 -0.74 0.27 -0.63 0.41 0.00 0.00 173.24 172.90 3fa3 s ILE 224 N 0.74 -0.06 0.41 1.44 1.01 -1.26 -5.11 121.20 118.36 3fa3 s ILE 224 Ca 0.65 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.38 3fa3 s ILE 224 Cb -0.42 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 3fa3 s ILE 224 CO 0.35 0.06 0.73 -0.94 0.00 0.00 0.00 174.94 175.14 3fa3 s SER 225 N 1.35 6.42 0.21 3.58 1.04 -1.26 -4.86 113.70 120.18 3fa3 s SER 225 Ca -0.09 0.97 -0.18 0.00 0.48 0.00 0.00 55.95 57.14 3fa3 s SER 225 Cb -0.10 -2.26 0.20 0.00 0.10 0.00 0.00 66.02 63.96 3fa3 s SER 225 CO -0.09 -0.42 1.59 0.00 0.98 0.00 0.00 173.24 175.30 3fa3 h ALA 226 N 0.98 0.15 -0.40 5.32 0.00 -2.00 0.87 119.26 124.18 3fa3 h ALA 226 Ca -0.47 0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3fa3 h ALA 226 Cb 1.19 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.66 3fa3 h ALA 226 CO 0.63 -0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.17 3fa3 h ALA 227 N 1.28 0.23 -0.29 0.00 0.00 -1.99 0.92 119.26 119.41 3fa3 h ALA 227 Ca 0.29 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 3fa3 h ALA 227 Cb 0.56 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3fa3 h ALA 227 CO -0.76 -0.48 -0.25 1.49 0.00 0.00 0.00 179.25 179.25 3fa3 h GLU 228 N -0.03 0.58 0.00 0.00 4.81 -1.32 0.68 114.58 119.31 3fa3 h GLU 228 Ca 0.19 -0.23 -0.26 0.00 -0.13 0.00 0.00 59.36 58.93 3fa3 h GLU 228 Cb 0.33 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.70 3fa3 h GLU 228 CO -0.43 0.78 -1.04 0.00 -0.73 0.00 0.00 179.01 177.59 3fa3 h ALA 229 N 1.22 0.15 -0.15 2.92 0.00 0.16 -1.18 119.26 122.39 3fa3 h ALA 229 Ca 0.07 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3fa3 h ALA 229 Cb 0.71 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fa3 h ALA 229 CO 0.05 0.70 0.09 -0.22 0.00 0.00 0.00 179.25 179.88 3fa3 h LYS 230 N 0.37 0.20 -0.67 0.00 3.64 0.11 -2.09 116.57 118.14 3fa3 h LYS 230 Ca -0.13 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.37 3fa3 h LYS 230 Cb 1.69 -0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 33.34 3fa3 h LYS 230 CO 0.20 0.17 -0.19 0.93 -2.27 0.00 0.00 179.45 178.29 3fa3 h GLU 231 N 0.17 -0.02 -0.80 1.90 4.39 -0.91 -2.11 114.58 117.21 3fa3 h GLU 231 Ca 0.05 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.81 3fa3 h GLU 231 Cb 0.02 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3fa3 h GLU 231 CO -0.01 -0.02 0.52 0.52 -1.16 0.00 0.00 179.01 178.87 3fa3 h MET 232 N -0.02 0.89 0.00 2.33 2.86 -0.55 -3.46 114.93 116.98 3fa3 h MET 232 Ca 0.31 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3fa3 h MET 232 Cb 0.51 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3fa3 h MET 232 CO -0.70 0.59 0.00 0.41 1.06 0.00 0.00 176.91 178.27 3fa3 n GLY 233 N -1.42 0.39 3.76 8.32 0.00 -0.79 -4.93 105.19 110.51 3fa3 n GLY 233 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.52 2.42 -0.06 1.61 0.40 -0.98 -4.74 117.98 116.12 3fa3 s PHE 234 Ca 0.00 1.53 0.14 0.00 -0.60 0.00 0.00 56.93 58.00 3fa3 s PHE 234 Cb 0.00 -3.43 -0.21 0.00 0.51 0.00 0.00 43.02 39.89 3fa3 s PHE 234 CO 0.00 -2.11 0.24 0.54 0.70 0.00 0.00 175.22 174.59 3fa3 n ARG 235 N -1.68 0.86 -3.73 0.44 5.12 0.26 -4.57 116.66 113.36 3fa3 n ARG 235 Ca 0.13 -0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 55.83 3fa3 n ARG 235 Cb 0.50 -1.35 -0.13 0.00 -1.16 0.00 0.00 32.46 30.32 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 -2.81 -0.04 -0.11 0.55 1.01 -1.05 -1.68 121.20 117.06 3fa3 s ILE 236 Ca -0.06 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 3fa3 s ILE 236 Cb 0.08 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 3fa3 s ILE 236 CO 0.60 0.06 -0.11 -0.51 0.00 0.00 0.00 174.94 174.99 3fa3 s ILE 237 N 1.24 3.31 0.09 2.92 2.07 0.39 -0.24 121.20 130.99 3fa3 s ILE 237 Ca -0.09 -0.58 0.10 0.00 -1.41 0.00 0.00 60.65 58.66 3fa3 s ILE 237 Cb -0.10 -2.39 -0.04 0.00 0.13 0.00 0.00 42.46 40.07 3fa3 s ILE 237 CO -0.08 0.54 -0.24 0.27 -1.91 0.00 0.00 174.94 173.51 3fa3 s ILE 238 N 0.03 2.41 -0.52 2.00 -4.36 -0.14 -0.97 121.20 119.65 3fa3 s ILE 238 Ca -0.03 -1.54 0.03 0.00 -0.26 0.00 0.00 60.65 58.85 3fa3 s ILE 238 Cb -0.14 -2.03 0.15 0.00 1.25 0.00 0.00 42.46 41.68 3fa3 s ILE 238 CO 0.04 0.20 0.32 -0.36 0.24 0.00 0.00 174.94 175.38 3fa3 s PHE 239 N -0.99 2.58 0.56 1.37 0.40 -0.56 -0.95 117.98 120.38 3fa3 s PHE 239 Ca 0.14 -2.83 0.23 0.00 -0.60 0.00 0.00 56.93 53.88 3fa3 s PHE 239 Cb -0.10 -2.21 1.53 0.00 0.51 0.00 0.00 43.02 42.75 3fa3 s PHE 239 CO 0.06 -0.72 2.17 -1.35 0.70 0.00 0.00 175.22 176.08 3fa3 h PRO 240 N 6.20 0.00 -0.37 0.24 0.11 -1.86 1.22 132.00 137.54 3fa3 h PRO 240 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3fa3 h PRO 240 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3fa3 h PRO 240 CO 0.58 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 3fa3 n PHE 241 N -4.18 0.96 0.25 0.65 3.72 -1.26 -4.46 117.46 113.14 3fa3 n PHE 241 Ca -0.01 -0.70 0.18 0.00 -0.05 0.00 0.00 57.45 56.86 3fa3 n PHE 241 Cb 0.16 -0.22 0.90 0.00 -0.94 0.00 0.00 39.48 39.38 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fa3 h ALA 242 N 2.41 1.57 0.00 4.37 0.00 -1.59 -2.41 119.26 123.60 3fa3 h ALA 242 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 3fa3 h ALA 242 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3fa3 h ALA 242 CO 0.17 -0.25 -1.69 0.00 0.00 0.00 0.00 179.25 177.48 3fa3 n ALA 243 N -2.20 2.06 0.41 0.00 0.00 -1.25 -4.62 120.51 114.90 3fa3 n ALA 243 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 3fa3 n ALA 243 Cb 0.29 0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.51 -1.05 -0.49 0.00 6.46 -1.78 -2.45 115.31 115.48 3fa3 h LEU 244 Ca -0.33 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.57 3fa3 h LEU 244 Cb 1.25 0.30 -0.10 0.00 -0.73 0.00 0.00 40.66 41.38 3fa3 h LEU 244 CO -0.20 -0.68 -0.30 1.23 -0.62 0.00 0.00 178.44 177.87 3fa3 h GLY 245 N -1.09 -0.09 2.00 3.75 0.00 -1.74 0.29 103.07 106.19 3fa3 h GLY 245 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3fa3 h GLY 245 CO 0.13 -0.21 0.00 -2.55 0.00 0.00 0.00 176.54 173.91 3fa3 h PRO 246 N -0.18 0.00 0.09 4.80 0.11 -1.75 -2.37 132.00 132.71 3fa3 h PRO 246 Ca 0.21 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.16 3fa3 h PRO 246 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.64 3fa3 h PRO 246 CO -0.59 0.00 -0.76 0.00 -0.21 0.00 0.00 178.00 176.44 3fa3 h ALA 247 N 2.10 0.01 -0.93 -0.75 0.00 -0.03 -2.36 119.26 117.30 3fa3 h ALA 247 Ca 0.00 -0.76 0.12 0.00 0.00 0.00 0.00 54.91 54.27 3fa3 h ALA 247 Cb 0.25 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.09 3fa3 h ALA 247 CO 0.00 0.39 -0.48 0.28 0.00 0.00 0.00 179.25 179.45 3fa3 h VAL 248 N -0.56 0.01 0.00 0.00 2.07 -0.57 0.96 116.25 118.17 3fa3 h VAL 248 Ca -0.15 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 3fa3 h VAL 248 Cb 1.48 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3fa3 h VAL 248 CO 0.07 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 176.99 3fa3 h ALA 249 N 0.92 0.80 -0.33 1.67 0.00 -1.51 0.37 119.26 121.18 3fa3 h ALA 249 Ca 0.25 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 3fa3 h ALA 249 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fa3 h ALA 249 CO -0.93 0.83 -0.43 0.00 0.00 0.00 0.00 179.25 178.73 3fa3 h ALA 250 N 1.33 0.61 -0.03 0.00 0.00 -0.85 -2.35 119.26 117.97 3fa3 h ALA 250 Ca -0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3fa3 h ALA 250 Cb 1.26 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3fa3 h ALA 250 CO 0.09 0.68 -0.38 0.52 0.00 0.00 0.00 179.25 180.15 3fa3 h MET 251 N 0.67 0.30 -0.60 0.00 2.86 -0.49 -2.51 114.93 115.16 3fa3 h MET 251 Ca 0.05 -0.29 0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3fa3 h MET 251 Cb 1.01 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.63 3fa3 h MET 251 CO 0.10 0.97 -0.39 -0.09 1.06 0.00 0.00 176.91 178.56 3fa3 h ARG 252 N -0.25 -0.18 -0.29 1.72 2.43 -0.30 -0.20 114.38 117.30 3fa3 h ARG 252 Ca -0.04 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3fa3 h ARG 252 Cb 1.08 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3fa3 h ARG 252 CO 0.08 -0.12 -0.29 1.49 -1.51 0.00 0.00 179.97 179.61 3fa3 h GLU 253 N -0.19 0.59 0.00 0.20 4.22 -1.45 -2.60 114.58 115.35 3fa3 h GLU 253 Ca 0.21 -0.25 -0.07 0.00 0.08 0.00 0.00 59.36 59.33 3fa3 h GLU 253 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3fa3 h GLU 253 CO -0.70 0.82 -0.32 0.00 -2.18 0.00 0.00 179.01 176.63 3fa3 h ALA 254 N 1.17 1.34 0.10 2.92 0.00 -0.85 -0.86 119.26 123.08 3fa3 h ALA 254 Ca 0.06 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 3fa3 h ALA 254 Cb 0.77 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.52 3fa3 h ALA 254 CO 0.06 0.40 -1.18 0.52 0.00 0.00 0.00 179.25 179.05 3fa3 h MET 255 N 0.00 0.47 -0.01 0.00 2.86 -0.71 0.15 114.93 117.69 3fa3 h MET 255 Ca -0.00 -0.64 -0.22 0.00 -2.06 0.00 0.00 59.70 56.78 3fa3 h MET 255 Cb 0.62 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3fa3 h MET 255 CO 0.04 1.27 -0.92 0.93 1.06 0.00 0.00 176.91 179.29 3fa3 h GLU 256 N 0.20 0.42 -0.59 1.72 5.08 -1.44 0.18 114.58 120.15 3fa3 h GLU 256 Ca -0.15 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 3fa3 h GLU 256 Cb 1.86 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.21 3fa3 h GLU 256 CO 0.21 1.10 0.22 -0.22 -1.00 0.00 0.00 179.01 179.32 3fa3 h LYS 257 N 0.24 0.89 -0.59 2.33 3.64 -1.09 0.01 116.57 122.01 3fa3 h LYS 257 Ca -0.07 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 3fa3 h LYS 257 Cb 1.55 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 3fa3 h LYS 257 CO 0.16 0.78 0.31 1.25 -2.27 0.00 0.00 179.45 179.68 3fa3 h LEU 258 N 0.82 0.75 -0.27 5.20 5.85 -0.62 0.48 115.31 127.53 3fa3 h LEU 258 Ca 0.19 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3fa3 h LEU 258 Cb 0.23 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3fa3 h LEU 258 CO -0.01 0.64 -0.29 0.11 -0.34 0.00 0.00 178.44 178.55 3fa3 h LYS 259 N 0.80 -0.16 0.32 1.25 1.79 -0.30 0.32 116.57 120.59 3fa3 h LYS 259 Ca 0.21 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 3fa3 h LYS 259 Cb 0.07 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3fa3 h LYS 259 CO -0.03 -0.11 -0.16 0.00 -1.08 0.00 0.00 179.45 178.08 3fa3 h ARG 260 N -0.17 -0.42 -0.13 3.15 3.08 -0.90 -3.33 114.38 115.67 3fa3 h ARG 260 Ca 0.05 0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 3fa3 h ARG 260 Cb 0.29 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3fa3 h ARG 260 CO -0.34 -0.28 -0.62 -0.44 -1.07 0.00 0.00 179.97 177.22 3fa3 h ASP 261 N -0.44 0.51 -0.01 7.04 3.45 -0.91 -3.47 116.42 122.58 3fa3 h ASP 261 Ca -0.04 -0.30 -0.00 0.00 0.43 0.00 0.00 57.03 57.12 3fa3 h ASP 261 Cb 0.33 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3fa3 h ASP 261 CO 0.07 1.00 -0.00 0.61 -1.57 0.00 0.00 179.24 179.35 3fa3 n GLY 262 N 0.36 0.40 3.64 2.75 0.00 0.11 -5.00 105.19 107.45 3fa3 n GLY 262 Ca -0.03 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.01 0.00 0.12 -0.61 2.07 -1.26 -5.09 121.20 114.43 3fa3 s ILE 263 Ca 0.00 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.17 3fa3 s ILE 263 Cb 0.00 -1.00 -0.17 0.00 0.13 0.00 0.00 42.46 41.42 3fa3 s ILE 263 CO 0.00 0.00 1.31 -0.65 -1.91 0.00 0.00 174.94 173.69 3fa3 h PRO 264 N 6.11 0.55 -3.73 3.50 0.11 -1.91 -3.42 132.00 133.20 3fa3 h PRO 264 Ca -0.29 -0.52 -0.09 0.00 0.11 0.00 0.00 66.00 65.21 3fa3 h PRO 264 Cb 1.20 0.13 0.06 0.00 0.11 0.00 0.00 31.00 32.51 3fa3 h PRO 264 CO 0.15 1.15 -0.28 0.41 -0.21 0.00 0.00 178.00 179.22 3fa3 n GLY 265 N 0.83 0.23 3.75 -0.55 0.00 -1.26 -4.77 105.19 103.41 3fa3 n GLY 265 Ca -0.07 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.74 4.46 0.19 0.99 1.02 -1.26 -4.99 118.68 115.35 3fa3 s LEU 266 Ca 0.13 2.37 -0.28 0.00 0.02 0.00 0.00 54.13 56.37 3fa3 s LEU 266 Cb -0.02 -3.62 -0.17 0.00 0.02 0.00 0.00 46.19 42.40 3fa3 s LEU 266 CO 0.24 -0.38 0.53 -0.67 0.02 0.00 0.00 176.35 176.09 3fa3 n ASP 267 N 1.87 -1.19 0.30 2.29 2.03 -1.26 -4.83 116.55 115.76 3fa3 n ASP 267 Ca 0.03 1.12 0.17 0.00 0.52 0.00 0.00 54.79 56.63 3fa3 n ASP 267 Cb 0.44 -0.94 0.96 0.00 -0.72 0.00 0.00 41.12 40.86 3fa3 n ASP 267 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3fa3 h LYS 268 N 1.06 0.00 0.00 -0.67 1.63 -2.05 -0.59 116.57 115.96 3fa3 h LYS 268 Ca -0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3fa3 h LYS 268 Cb 1.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 3fa3 h LYS 268 CO 0.57 0.03 0.00 1.05 -3.45 0.00 0.00 179.45 177.65 3fa3 h GLU 269 N 0.00 0.00 -4.27 1.90 4.11 -2.05 -3.38 114.58 110.89 3fa3 h GLU 269 Ca -0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.70 3fa3 h GLU 269 Cb 0.12 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.24 3fa3 h GLU 269 CO 0.00 0.00 2.02 -1.33 0.07 0.00 0.00 179.01 179.78 3fa3 n MET 270 N -2.77 3.37 -2.52 1.06 2.81 -0.23 -4.66 117.12 114.17 3fa3 n MET 270 Ca 0.03 -3.45 -0.27 0.00 -1.81 0.00 0.00 57.70 52.20 3fa3 n MET 270 Cb 0.36 -3.09 0.01 0.00 -0.71 0.00 0.00 33.22 29.79 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 1.68 4.29 0.34 2.03 -4.23 -1.26 -4.90 115.64 113.58 3fa3 s THR 271 Ca 0.44 0.09 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 3fa3 s THR 271 Cb 0.06 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.56 3fa3 s THR 271 CO -0.00 -0.66 1.84 -0.65 -0.54 0.00 0.00 174.62 174.61 3fa3 h PRO 272 N 0.04 0.71 -0.65 3.99 0.11 -1.98 -1.82 132.00 132.39 3fa3 h PRO 272 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3fa3 h PRO 272 Cb 1.23 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3fa3 h PRO 272 CO 0.61 0.47 0.27 1.96 -0.21 0.00 0.00 178.00 181.10 3fa3 h GLN 273 N 0.73 0.96 -0.51 1.05 7.50 -1.94 0.40 115.11 123.30 3fa3 h GLN 273 Ca 0.50 -0.17 0.02 0.00 0.50 0.00 0.00 58.65 59.50 3fa3 h GLN 273 Cb 0.80 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.13 3fa3 h GLN 273 CO -0.26 0.80 0.31 1.98 -1.50 0.00 0.00 178.83 180.16 3fa3 h MET 274 N 0.91 0.60 -0.61 1.46 4.05 -1.73 -1.49 114.93 118.11 3fa3 h MET 274 Ca 0.22 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 3fa3 h MET 274 Cb 0.19 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3fa3 h MET 274 CO -0.02 0.40 0.08 -0.07 0.23 0.00 0.00 176.91 177.53 3fa3 h LEU 275 N 0.62 0.99 -1.12 3.39 -0.00 -0.08 -1.67 115.31 117.44 3fa3 h LEU 275 Ca 0.20 -0.27 -0.07 0.00 -0.00 0.00 0.00 57.88 57.74 3fa3 h LEU 275 Cb 0.01 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 3fa3 h LEU 275 CO -0.09 1.01 -0.13 -0.26 -0.00 0.00 0.00 178.44 178.97 3fa3 h PHE 276 N 0.94 0.50 0.00 1.13 0.05 -0.24 -2.54 116.94 116.77 3fa3 h PHE 276 Ca 0.18 -0.07 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 3fa3 h PHE 276 Cb 0.45 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.26 3fa3 h PHE 276 CO 0.03 0.58 -0.33 0.00 -0.18 0.00 0.00 178.31 178.42 3fa3 h ARG 277 N 0.43 0.00 -0.31 1.51 3.08 -0.66 -0.33 114.38 118.10 3fa3 h ARG 277 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3fa3 h ARG 277 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3fa3 h ARG 277 CO 0.03 0.33 0.05 0.28 -1.07 0.00 0.00 179.97 179.59 3fa3 h VAL 278 N 0.00 1.16 -1.03 2.04 2.07 -0.88 -2.90 116.25 116.72 3fa3 h VAL 278 Ca -0.00 -0.58 -0.66 0.00 0.82 0.00 0.00 66.70 66.28 3fa3 h VAL 278 Cb 0.70 0.87 -0.31 0.00 -1.52 0.00 0.00 31.29 31.03 3fa3 h VAL 278 CO 0.04 0.20 0.61 0.00 0.02 0.00 0.00 177.57 178.45 3fa3 n GLY 280 N -0.86 0.47 0.16 0.00 0.00 -1.04 -4.95 105.19 98.97 3fa3 n GLY 280 Ca 0.59 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.47 -0.79 0.99 5.85 -1.53 -0.71 115.31 118.65 3fa3 h LEU 281 Ca -0.21 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.73 3fa3 h LEU 281 Cb 0.93 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.98 3fa3 h LEU 281 CO 0.28 -0.19 -0.11 0.47 -0.34 0.00 0.00 178.44 178.54 3fa3 n ASP 282 N -3.34 -0.21 0.12 1.25 8.00 -1.26 0.26 116.55 121.36 3fa3 n ASP 282 Ca -0.03 1.35 -0.14 0.00 0.71 0.00 0.00 54.79 56.68 3fa3 n ASP 282 Cb 0.14 -0.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 3fa3 n ASP 282 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3fa3 h GLU 283 N 0.00 -0.27 0.00 -1.24 3.07 -1.88 -2.37 114.58 111.89 3fa3 h GLU 283 Ca 0.42 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 3fa3 h GLU 283 Cb 0.74 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3fa3 h GLU 283 CO -0.79 -0.03 -0.04 0.66 -1.40 0.00 0.00 179.01 177.41 3fa3 h SER 284 N -0.48 0.00 1.26 1.42 4.64 0.47 -0.40 113.55 120.46 3fa3 h SER 284 Ca -0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 3fa3 h SER 284 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3fa3 h SER 284 CO 0.05 0.04 -0.32 0.24 -0.87 0.00 0.00 176.83 175.97 3fa3 h MET 285 N 0.00 0.00 0.01 4.77 2.86 0.16 -2.83 114.93 119.91 3fa3 h MET 285 Ca -0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 3fa3 h MET 285 Cb 0.28 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.96 3fa3 h MET 285 CO 0.01 0.32 -1.04 -0.22 1.06 0.00 0.00 176.91 177.04 3fa3 h LYS 286 N 0.00 0.61 -0.78 1.72 3.64 -0.59 -2.53 116.57 118.64 3fa3 h LYS 286 Ca -0.00 -0.68 0.14 0.00 -1.27 0.00 0.00 60.65 58.83 3fa3 h LYS 286 Cb 1.04 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 3fa3 h LYS 286 CO 0.04 1.28 0.36 0.28 -2.27 0.00 0.00 179.45 179.14 3fa3 h VAL 287 N 0.34 0.72 0.24 2.00 2.07 -1.10 0.26 116.25 120.77 3fa3 h VAL 287 Ca -0.12 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3fa3 h VAL 287 Cb 1.69 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3fa3 h VAL 287 CO 0.20 0.10 -0.11 -0.78 0.02 0.00 0.00 177.57 176.99 3fa3 h ASP 288 N 0.54 -0.27 -0.49 0.57 1.82 -1.48 -3.13 116.42 113.98 3fa3 h ASP 288 Ca 0.42 -0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.92 3fa3 h ASP 288 Cb 0.59 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.63 3fa3 h ASP 288 CO -0.37 0.04 0.26 0.00 -1.61 0.00 0.00 179.24 177.57 3fa3 h ALA 289 N 0.08 0.62 -0.40 -0.78 0.00 -0.97 -1.49 119.26 116.32 3fa3 h ALA 289 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3fa3 h ALA 289 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fa3 h ALA 289 CO 0.05 -0.07 0.37 1.96 0.00 0.00 0.00 179.25 181.56 3fa3 h GLN 290 N 0.52 0.00 0.00 0.00 4.20 -1.02 0.19 115.11 119.00 3fa3 h GLN 290 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3fa3 h GLN 290 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3fa3 h GLN 290 CO -0.13 0.00 -0.20 0.00 -0.67 0.00 0.00 178.83 177.83 3fa3 n ALA 291 N -2.44 2.62 -0.12 3.87 0.00 -0.67 -4.89 120.51 118.88 3fa3 n ALA 291 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3fa3 n ALA 291 Cb 0.55 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.40 0.78 3.64 0.00 0.00 0.65 -5.09 105.19 106.57 3fa3 n GLY 292 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.62 1.65 0.00 -0.02 0.00 -0.65 -4.97 107.32 101.71 3fa3 s GLY 293 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3fa3 s GLY 293 CO 0.00 0.85 0.42 0.00 0.00 0.00 0.00 173.10 174.36 3fa3 n ALA 294 N -4.31 1.81 -0.35 3.20 0.00 -1.26 -4.37 120.51 115.23 3fa3 n ALA 294 Ca 0.09 -0.42 0.24 0.00 0.00 0.00 0.00 53.44 53.36 3fa3 n ALA 294 Cb 0.53 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.48 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 0.00 2.19 -0.36 0.00 0.00 -1.94 -0.59 119.26 118.56 3fa3 h ALA 295 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fa3 h ALA 295 Cb 0.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fa3 h ALA 295 CO 0.00 -0.68 0.00 1.19 0.00 0.00 0.00 179.25 179.76 3fa3 n PHE 296 N -4.76 0.86 -1.58 0.00 3.72 -1.26 -4.96 117.46 109.48 3fa3 n PHE 296 Ca 0.29 -0.69 -0.60 0.00 -0.05 0.00 0.00 57.45 56.39 3fa3 n PHE 296 Cb 0.96 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 39.22 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3fa3 n ASP 297 N 0.15 0.57 0.00 4.37 8.00 -0.23 -1.47 116.55 127.93 3fa3 n ASP 297 Ca 0.18 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.84 3fa3 n ASP 297 Cb 0.72 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 298 N 2.34 0.59 7.00 0.44 0.00 -1.26 -4.85 105.19 109.46 3fa3 n GLY 298 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N -2.01 0.26 0.03 -0.02 0.00 -0.54 -4.51 105.19 98.40 3fa3 n GLY 299 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.70 0.89 -4.01 1.61 3.14 -1.26 -4.91 118.33 113.09 3fa3 n VAL 300 Ca 0.00 -0.95 -0.31 0.00 -2.96 0.00 0.00 64.34 60.12 3fa3 n VAL 300 Cb 0.00 0.49 -0.06 0.00 -1.06 0.00 0.00 33.84 33.22 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 -1.06 5.86 0.00 6.55 1.11 -1.26 -5.09 116.67 122.78 3fa3 s ASP 301 Ca 0.04 0.13 0.27 0.00 0.18 0.00 0.00 52.55 53.17 3fa3 s ASP 301 Cb 0.04 -1.69 0.79 0.00 1.07 0.00 0.00 42.92 43.13 3fa3 s ASP 301 CO 0.00 0.20 1.60 0.18 1.18 0.00 0.00 175.17 178.33