#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 4.06 -0.03 -0.52 -1.94 -1.26 -5.08 119.30 114.54 3fa3 s MET 3 Ca 0.00 0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 54.77 3fa3 s MET 3 Cb 0.00 -2.34 0.01 0.00 2.01 0.00 0.00 34.83 34.51 3fa3 s MET 3 CO 0.00 0.08 0.06 0.08 -0.01 0.00 0.00 175.02 175.23 3fa3 s VAL 4 N -2.08 -0.01 -0.04 -6.03 1.01 -1.26 -5.15 120.40 106.83 3fa3 s VAL 4 Ca 0.57 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.66 3fa3 s VAL 4 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 3fa3 s VAL 4 CO 0.17 0.02 -0.21 0.28 0.00 0.00 0.00 175.10 175.36 3fa3 s THR 5 N 0.32 1.75 0.53 3.92 -1.32 -1.26 -5.00 115.64 114.58 3fa3 s THR 5 Ca -0.02 -0.91 0.38 0.00 -1.21 0.00 0.00 61.69 59.93 3fa3 s THR 5 Cb -0.04 -1.48 0.58 0.00 -1.51 0.00 0.00 72.50 70.06 3fa3 s THR 5 CO -0.01 0.49 1.73 0.00 -2.21 0.00 0.00 174.62 174.62 3fa3 h ALA 6 N 6.01 3.21 -1.11 11.08 0.00 -1.81 -0.49 119.26 136.14 3fa3 h ALA 6 Ca -0.34 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 54.88 3fa3 h ALA 6 Cb 1.16 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 3fa3 h ALA 6 CO 0.47 -1.64 0.69 0.00 0.00 0.00 0.00 179.25 178.78 3fa3 h ALA 7 N 1.34 2.29 0.00 0.00 0.00 -1.82 -1.46 119.26 119.61 3fa3 h ALA 7 Ca 0.68 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.71 3fa3 h ALA 7 Cb 2.61 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.52 3fa3 h ALA 7 CO -0.07 -0.83 -0.00 1.15 0.00 0.00 0.00 179.25 179.50 3fa3 h THR 8 N 0.28 1.64 0.00 0.00 2.02 -1.36 -0.49 112.91 115.00 3fa3 h THR 8 Ca 0.71 -1.98 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 3fa3 h THR 8 Cb 1.88 2.97 -0.00 0.00 -1.74 0.00 0.00 68.15 71.25 3fa3 h THR 8 CO -0.44 0.51 -0.07 0.77 0.37 0.00 0.00 175.52 176.66 3fa3 h SER 9 N -0.86 0.00 0.77 4.18 4.64 -1.61 0.35 113.55 121.02 3fa3 h SER 9 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3fa3 h SER 9 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 3fa3 h SER 9 CO 0.00 0.07 -1.22 0.25 -0.87 0.00 0.00 176.83 175.06 3fa3 h LEU 10 N 0.00 0.16 -0.79 5.97 5.85 -1.32 -1.20 115.31 123.98 3fa3 h LEU 10 Ca -0.00 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 3fa3 h LEU 10 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3fa3 h LEU 10 CO 0.01 1.16 -0.46 -0.09 -0.34 0.00 0.00 178.44 178.71 3fa3 h ARG 11 N 0.03 0.33 0.01 1.25 2.43 0.61 -2.36 114.38 116.68 3fa3 h ARG 11 Ca -0.11 -0.18 -0.20 0.00 -0.81 0.00 0.00 59.98 58.69 3fa3 h ARG 11 Cb 1.89 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.42 3fa3 h ARG 11 CO 0.15 0.73 -0.92 0.00 -1.51 0.00 0.00 179.97 178.42 3fa3 h ARG 12 N 0.27 0.09 -0.78 0.20 3.08 -1.04 -2.96 114.38 113.24 3fa3 h ARG 12 Ca 0.02 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3fa3 h ARG 12 Cb 0.92 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3fa3 h ARG 12 CO 0.08 0.94 0.39 0.00 -1.07 0.00 0.00 179.97 180.31 3fa3 h ALA 13 N 1.01 1.22 0.00 0.04 0.00 -1.04 -1.61 119.26 118.88 3fa3 h ALA 13 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3fa3 h ALA 13 Cb 1.59 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fa3 h ALA 13 CO 0.13 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.84 3fa3 h LEU 14 N 1.10 0.00 -0.39 0.00 3.38 -1.37 -2.97 115.31 115.06 3fa3 h LEU 14 Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 3fa3 h LEU 14 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3fa3 h LEU 14 CO -0.04 0.08 -0.81 -0.33 0.09 0.00 0.00 178.44 177.44 3fa3 h GLU 15 N 0.00 0.04 -6.25 1.13 5.08 -1.13 -3.41 114.58 110.04 3fa3 h GLU 15 Ca -0.00 -0.04 -0.56 0.00 -1.00 0.00 0.00 59.36 57.76 3fa3 h GLU 15 Cb 0.56 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3fa3 h GLU 15 CO 0.01 0.83 0.74 1.21 -1.00 0.00 0.00 179.01 180.79 3fa3 s ASN 16 N -6.81 7.06 0.50 1.42 3.84 -1.05 -4.92 114.94 114.97 3fa3 s ASN 16 Ca -0.01 1.71 0.29 0.00 0.21 0.00 0.00 52.86 55.06 3fa3 s ASN 16 Cb 0.11 -2.55 1.05 0.00 -0.55 0.00 0.00 41.25 39.31 3fa3 s ASN 16 CO 0.80 -0.61 1.87 1.55 -2.79 0.00 0.00 177.10 177.91 3fa3 h PRO 17 N 7.58 0.00 -0.00 0.43 0.13 -1.83 -2.99 132.00 135.32 3fa3 h PRO 17 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3fa3 h PRO 17 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3fa3 h PRO 17 CO 0.91 0.06 -0.23 -0.25 -0.23 0.00 0.00 178.00 178.25 3fa3 n ASP 18 N -3.16 0.41 -4.82 1.44 8.00 -1.26 -4.89 116.55 112.27 3fa3 n ASP 18 Ca 0.01 -0.21 -0.35 0.00 0.71 0.00 0.00 54.79 54.96 3fa3 n ASP 18 Cb 0.38 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3fa3 n ASP 18 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fa3 s SER 19 N -2.80 7.00 -0.08 -2.24 0.01 -1.13 -5.04 113.70 109.41 3fa3 s SER 19 Ca 0.18 1.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.92 3fa3 s SER 19 Cb 0.19 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 64.00 3fa3 s SER 19 CO 0.57 -0.12 0.01 0.12 0.41 0.00 0.00 173.24 174.23 3fa3 s PHE 20 N -1.79 0.63 -0.24 2.43 5.36 -1.26 -4.88 117.98 118.23 3fa3 s PHE 20 Ca 0.51 -0.20 -0.15 0.00 -0.96 0.00 0.00 56.93 56.13 3fa3 s PHE 20 Cb -0.14 -0.79 -0.04 0.00 -0.34 0.00 0.00 43.02 41.72 3fa3 s PHE 20 CO 0.19 -0.35 0.39 0.42 -1.46 0.00 0.00 175.22 174.41 3fa3 s ILE 21 N 1.99 5.18 -0.30 3.12 1.09 -0.32 -5.02 121.20 126.94 3fa3 s ILE 21 Ca 0.04 0.64 -0.04 0.00 -1.10 0.00 0.00 60.65 60.19 3fa3 s ILE 21 Cb -0.13 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 37.59 3fa3 s ILE 21 CO -0.05 0.20 0.04 -0.69 -0.10 0.00 0.00 174.94 174.33 3fa3 s VAL 22 N 1.71 3.42 -0.30 2.92 1.01 -1.26 -1.06 120.40 126.83 3fa3 s VAL 22 Ca 0.17 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3fa3 s VAL 22 Cb -0.15 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.45 3fa3 s VAL 22 CO 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 175.10 175.15 3fa3 s ALA 23 N 1.37 2.71 0.58 5.51 0.00 -0.18 -4.27 121.76 127.49 3fa3 s ALA 23 Ca -0.01 -2.18 -0.19 0.00 0.00 0.00 0.00 51.96 49.57 3fa3 s ALA 23 Cb -0.18 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3fa3 s ALA 23 CO 0.00 -1.48 1.20 -1.25 0.00 0.00 0.00 175.76 174.23 3fa3 s PRO 24 N 1.01 3.04 -0.32 0.00 0.04 -1.26 -2.76 135.00 134.76 3fa3 s PRO 24 Ca 0.03 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 3fa3 s PRO 24 Cb -0.19 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.41 3fa3 s PRO 24 CO -0.07 -1.15 1.10 0.20 0.04 0.00 0.00 177.00 177.13 3fa3 s GLY 25 N -1.59 1.54 0.15 0.56 0.00 -0.66 -0.44 107.32 106.88 3fa3 s GLY 25 Ca 0.76 -0.03 0.09 0.00 0.00 0.00 0.00 44.72 45.54 3fa3 s GLY 25 CO 0.33 2.31 -0.16 0.14 0.00 0.00 0.00 173.10 175.72 3fa3 s VAL 26 N 3.73 2.90 0.00 1.40 1.01 0.34 -2.88 120.40 126.90 3fa3 s VAL 26 Ca 0.47 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.81 3fa3 s VAL 26 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3fa3 s VAL 26 CO 0.16 -0.01 0.08 0.00 0.00 0.00 0.00 175.10 175.33 3fa3 n TYR 27 N 0.43 0.00 -3.75 5.22 4.11 -1.26 -2.63 117.16 119.28 3fa3 n TYR 27 Ca -0.13 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.76 3fa3 n TYR 27 Cb 0.54 -0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.89 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N -0.00 -0.92 -0.21 9.48 5.75 -1.26 -4.49 116.55 124.90 3fa3 n ASP 28 Ca 0.00 -1.43 -0.08 0.00 -0.01 0.00 0.00 54.79 53.27 3fa3 n ASP 28 Cb 0.28 1.48 0.02 0.00 -1.03 0.00 0.00 41.12 41.88 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 1.13 0.96 0.83 6.12 0.00 -1.98 -1.33 103.07 108.79 3fa3 h GLY 29 Ca -0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3fa3 h GLY 29 CO 0.20 0.52 -0.03 1.41 0.00 0.00 0.00 176.54 178.64 3fa3 h LEU 30 N 0.81 -0.07 -1.11 3.11 3.38 -1.97 -0.73 115.31 118.73 3fa3 h LEU 30 Ca 0.19 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3fa3 h LEU 30 Cb 0.27 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3fa3 h LEU 30 CO -0.01 0.12 0.61 0.77 0.09 0.00 0.00 178.44 180.02 3fa3 h SER 31 N -0.26 0.88 -0.40 -0.43 4.64 -1.96 0.28 113.55 116.32 3fa3 h SER 31 Ca -0.01 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3fa3 h SER 31 Cb 0.22 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3fa3 h SER 31 CO 0.01 0.52 0.01 0.00 -0.87 0.00 0.00 176.83 176.50 3fa3 h ALA 32 N 1.53 0.53 -0.21 5.18 0.00 -0.93 -1.65 119.26 123.71 3fa3 h ALA 32 Ca 0.44 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3fa3 h ALA 32 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fa3 h ALA 32 CO -0.20 0.30 -0.57 0.00 0.00 0.00 0.00 179.25 178.78 3fa3 h ARG 33 N 0.52 0.67 -0.36 0.00 3.08 0.17 -0.83 114.38 117.63 3fa3 h ARG 33 Ca 0.11 -0.44 0.01 0.00 0.07 0.00 0.00 59.98 59.73 3fa3 h ARG 33 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3fa3 h ARG 33 CO 0.02 1.06 0.23 0.28 -1.07 0.00 0.00 179.97 180.49 3fa3 h VAL 34 N 0.51 1.08 -0.39 2.04 2.07 -0.57 -1.29 116.25 119.69 3fa3 h VAL 34 Ca 0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3fa3 h VAL 34 Cb 1.14 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3fa3 h VAL 34 CO 0.11 0.09 0.24 0.00 0.02 0.00 0.00 177.57 178.03 3fa3 h ALA 35 N 1.14 0.50 -0.54 1.67 0.00 -1.04 -2.66 119.26 118.32 3fa3 h ALA 35 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 35 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fa3 h ALA 35 CO -0.04 -0.00 0.03 -0.07 0.00 0.00 0.00 179.25 179.17 3fa3 h LEU 36 N 0.52 0.87 -1.09 0.00 3.38 -1.02 -2.23 115.31 115.74 3fa3 h LEU 36 Ca 0.14 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.98 3fa3 h LEU 36 Cb 0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 3fa3 h LEU 36 CO -0.03 0.91 0.61 0.28 0.09 0.00 0.00 178.44 180.31 3fa3 h SER 37 N 0.84 0.94 -0.06 -0.43 0.02 -1.17 -1.08 113.55 112.61 3fa3 h SER 37 Ca 0.16 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3fa3 h SER 37 Cb 0.46 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3fa3 h SER 37 CO 0.02 0.58 0.09 0.00 -1.14 0.00 0.00 176.83 176.37 3fa3 h ALA 38 N 1.50 1.50 0.00 3.77 0.00 -1.04 -3.46 119.26 121.53 3fa3 h ALA 38 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3fa3 h ALA 38 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fa3 h ALA 38 CO -0.18 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.37 3fa3 n GLY 39 N -1.29 1.32 3.76 0.00 0.00 -0.41 -5.12 105.19 103.45 3fa3 n GLY 39 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3fa3 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 40 N -2.00 3.29 -1.06 1.61 0.40 -1.23 -4.98 117.98 114.00 3fa3 s PHE 40 Ca 0.00 1.57 0.18 0.00 -0.60 0.00 0.00 56.93 58.08 3fa3 s PHE 40 Cb 0.00 -3.45 0.71 0.00 0.51 0.00 0.00 43.02 40.79 3fa3 s PHE 40 CO 0.00 -1.17 1.62 -0.25 0.70 0.00 0.00 175.22 176.12 3fa3 n ASP 41 N 0.82 4.71 -3.51 1.36 8.00 -1.26 -4.80 116.55 121.87 3fa3 n ASP 41 Ca 0.00 -2.47 -0.17 0.00 0.71 0.00 0.00 54.79 52.86 3fa3 n ASP 41 Cb 0.44 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 s ALA 42 N -1.88 -1.75 0.05 2.24 0.00 -1.26 -4.09 121.76 115.06 3fa3 s ALA 42 Ca 0.50 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.74 3fa3 s ALA 42 Cb 0.33 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3fa3 s ALA 42 CO 0.24 -0.41 -0.13 -0.51 0.00 0.00 0.00 175.76 174.94 3fa3 s LEU 43 N -1.36 2.21 -0.21 0.00 1.43 -0.60 -4.07 118.68 116.08 3fa3 s LEU 43 Ca -0.10 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3fa3 s LEU 43 Cb -0.00 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 3fa3 s LEU 43 CO 0.07 -0.02 -0.05 -0.47 0.23 0.00 0.00 176.35 176.12 3fa3 s TYR 44 N -1.00 2.95 -0.37 0.29 5.04 0.41 -1.30 117.35 123.37 3fa3 s TYR 44 Ca -0.00 -0.87 -0.29 0.00 -2.44 0.00 0.00 57.07 53.47 3fa3 s TYR 44 Cb -0.08 -2.07 0.02 0.00 0.35 0.00 0.00 41.96 40.17 3fa3 s TYR 44 CO 0.01 -0.48 1.12 1.41 -1.34 0.00 0.00 175.55 176.27 3fa3 s MET 45 N 1.30 3.93 -0.24 4.97 -2.45 0.53 -0.50 119.30 126.84 3fa3 s MET 45 Ca 0.04 0.91 -0.24 0.00 -1.25 0.00 0.00 55.69 55.14 3fa3 s MET 45 Cb -0.14 -3.81 -0.01 0.00 1.25 0.00 0.00 34.83 32.12 3fa3 s MET 45 CO -0.02 -1.09 0.81 -0.08 1.05 0.00 0.00 175.02 175.69 3fa3 s THR 46 N 4.00 4.85 0.01 10.11 -1.32 -1.08 -1.98 115.64 130.22 3fa3 s THR 46 Ca 0.47 1.53 -0.01 0.00 -1.21 0.00 0.00 61.69 62.47 3fa3 s THR 46 Cb -0.11 -4.10 -0.00 0.00 -1.51 0.00 0.00 72.50 66.78 3fa3 s THR 46 CO 0.22 -0.06 1.02 0.61 -2.21 0.00 0.00 174.62 174.19 3fa3 n GLY 47 N 3.78 -3.10 0.34 6.08 0.00 -1.26 -0.89 105.19 110.15 3fa3 n GLY 47 Ca 0.05 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.72 3fa3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 48 N -3.01 0.11 0.05 4.61 0.00 -1.26 -0.42 120.51 120.60 3fa3 n ALA 48 Ca 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 53.44 54.41 3fa3 n ALA 48 Cb 0.01 -0.55 0.26 0.00 0.00 0.00 0.00 19.45 19.17 3fa3 n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fa3 h GLY 49 N 0.00 0.41 0.68 0.00 0.00 -1.83 -2.17 103.07 100.16 3fa3 h GLY 49 Ca 0.40 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 3fa3 h GLY 49 CO -0.94 0.29 -0.31 -0.84 0.00 0.00 0.00 176.54 174.74 3fa3 h THR 50 N 0.34 1.42 -0.65 4.70 2.02 0.12 -0.36 112.91 120.51 3fa3 h THR 50 Ca 0.05 -1.71 0.13 0.00 0.77 0.00 0.00 66.41 65.65 3fa3 h THR 50 Cb 0.60 2.31 -0.09 0.00 -1.74 0.00 0.00 68.15 69.23 3fa3 h THR 50 CO 0.04 0.49 0.14 0.00 0.37 0.00 0.00 175.52 176.56 3fa3 h ALA 51 N 0.43 0.78 -0.10 6.16 0.00 -0.82 -0.75 119.26 124.96 3fa3 h ALA 51 Ca -0.02 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 51 Cb 0.96 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3fa3 h ALA 51 CO 0.06 -0.32 -0.63 0.00 0.00 0.00 0.00 179.25 178.36 3fa3 h ALA 52 N 1.53 0.72 0.02 0.00 0.00 -1.12 0.26 119.26 120.67 3fa3 h ALA 52 Ca 0.35 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3fa3 h ALA 52 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fa3 h ALA 52 CO -0.44 0.73 -0.01 1.03 0.00 0.00 0.00 179.25 180.56 3fa3 h SER 53 N 0.27 -0.02 -0.51 0.00 0.87 -0.69 -1.48 113.55 111.99 3fa3 h SER 53 Ca -0.01 -0.48 -0.09 0.00 -1.23 0.00 0.00 61.79 59.97 3fa3 h SER 53 Cb 1.17 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 3fa3 h SER 53 CO 0.11 0.71 -0.02 0.58 -0.53 0.00 0.00 176.83 177.68 3fa3 h VAL 54 N -0.99 1.26 -0.00 2.23 2.07 -1.25 -3.36 116.25 116.21 3fa3 h VAL 54 Ca -0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3fa3 h VAL 54 Cb 0.51 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3fa3 h VAL 54 CO 0.00 0.40 -0.38 1.41 0.02 0.00 0.00 177.57 179.03 3fa3 n HIS 55 N -4.18 0.00 -3.02 1.57 8.25 0.88 -4.97 115.22 113.75 3fa3 n HIS 55 Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.26 3fa3 n HIS 55 Cb 0.34 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.48 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 1.17 -0.52 3.11 -1.41 0.00 -0.56 -4.96 105.19 102.02 3fa3 n GLY 56 Ca 0.02 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.70 0.67 0.93 1.61 2.00 -1.14 -4.95 119.66 113.08 3fa3 s GLN 57 Ca 0.30 -0.91 -0.12 0.00 -2.00 0.00 0.00 55.36 52.62 3fa3 s GLN 57 Cb -0.13 -0.43 0.15 0.00 0.80 0.00 0.00 33.01 33.40 3fa3 s GLN 57 CO 0.37 0.08 1.09 0.00 -0.50 0.00 0.00 175.29 176.32 3fa3 s ALA 58 N -1.73 1.31 -1.09 1.58 0.00 -1.26 -2.57 121.76 118.01 3fa3 s ALA 58 Ca -0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 3fa3 s ALA 58 Cb -0.07 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3fa3 s ALA 58 CO 0.00 -2.54 1.77 0.34 0.00 0.00 0.00 175.76 175.33 3fa3 s ASP 59 N -3.39 5.84 0.00 0.00 3.68 -1.26 -4.61 116.67 116.92 3fa3 s ASP 59 Ca 0.64 -1.51 0.18 0.00 2.13 0.00 0.00 52.55 53.99 3fa3 s ASP 59 Cb -0.18 -2.57 0.29 0.00 -1.45 0.00 0.00 42.92 39.00 3fa3 s ASP 59 CO 0.57 -2.16 1.11 0.18 0.13 0.00 0.00 175.17 175.00 3fa3 n LEU 60 N 11.54 0.63 -0.74 -1.34 4.77 -1.25 -1.47 117.00 129.15 3fa3 n LEU 60 Ca 0.41 -1.72 -0.09 0.00 -0.03 0.00 0.00 56.01 54.58 3fa3 n LEU 60 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3fa3 n LEU 60 CO 0.67 0.49 -0.09 0.61 -1.33 0.00 0.00 177.39 177.74 3fa3 n GLY 61 N 0.34 1.01 0.31 -0.72 0.00 -0.17 -4.38 105.19 101.59 3fa3 n GLY 61 Ca 0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 1.26 -3.69 -0.61 1.08 -1.86 -3.45 117.51 110.23 3fa3 h ILE 62 Ca -0.19 -1.08 -0.53 0.00 -0.39 0.00 0.00 64.86 62.67 3fa3 h ILE 62 Cb 0.65 0.72 0.07 0.00 -3.07 0.00 0.00 36.82 35.19 3fa3 h ILE 62 CO 0.28 0.40 0.71 0.00 -0.69 0.00 0.00 178.15 178.85 3fa3 s THR 64 N -0.69 2.69 0.15 0.00 -4.23 -1.26 -4.94 115.64 107.36 3fa3 s THR 64 Ca 0.54 -0.72 -0.19 0.00 -1.18 0.00 0.00 61.69 60.14 3fa3 s THR 64 Cb -0.42 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.48 3fa3 s THR 64 CO 0.51 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.52 3fa3 h LEU 65 N 0.13 -0.35 -1.00 4.79 5.85 -1.96 0.10 115.31 122.87 3fa3 h LEU 65 Ca -0.41 0.09 0.25 0.00 0.84 0.00 0.00 57.88 58.65 3fa3 h LEU 65 Cb 1.29 0.21 -0.19 0.00 0.37 0.00 0.00 40.66 42.34 3fa3 h LEU 65 CO 0.50 -0.13 -0.08 0.59 -0.34 0.00 0.00 178.44 178.99 3fa3 n ASN 66 N -5.27 -0.20 -0.01 1.25 4.13 -1.26 -0.18 115.26 113.71 3fa3 n ASN 66 Ca -0.01 1.70 -0.13 0.00 1.68 0.00 0.00 54.58 57.82 3fa3 n ASN 66 Cb 0.19 -0.58 -0.10 0.00 -1.54 0.00 0.00 39.78 37.75 3fa3 n ASN 66 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3fa3 h ASP 67 N 0.00 -0.02 -0.18 6.41 3.32 -1.49 -2.98 116.42 121.48 3fa3 h ASP 67 Ca 0.56 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3fa3 h ASP 67 Cb 1.06 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3fa3 h ASP 67 CO -0.97 0.53 -0.05 0.24 -1.72 0.00 0.00 179.24 177.28 3fa3 h MET 68 N -0.58 0.35 -0.45 3.56 2.86 -0.30 -2.66 114.93 117.70 3fa3 h MET 68 Ca -0.00 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3fa3 h MET 68 Cb 0.55 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3fa3 h MET 68 CO 0.00 0.61 0.27 -0.09 1.06 0.00 0.00 176.91 178.77 3fa3 h ARG 69 N 0.06 0.62 -0.29 1.72 1.12 -0.69 0.13 114.38 117.05 3fa3 h ARG 69 Ca 0.05 -0.06 0.07 0.00 -1.11 0.00 0.00 59.98 58.92 3fa3 h ARG 69 Cb 0.49 -0.13 -0.08 0.00 -0.01 0.00 0.00 29.97 30.24 3fa3 h ARG 69 CO 0.02 0.46 -0.25 0.00 -3.11 0.00 0.00 179.97 177.09 3fa3 h ALA 70 N 1.12 -0.11 -0.21 2.80 0.00 -1.51 0.11 119.26 121.47 3fa3 h ALA 70 Ca 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3fa3 h ALA 70 Cb 0.01 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fa3 h ALA 70 CO -0.03 -0.66 0.07 -0.97 0.00 0.00 0.00 179.25 177.66 3fa3 h ASN 71 N -0.23 0.30 -0.10 0.00 -1.24 -1.13 -2.82 115.58 110.35 3fa3 h ASN 71 Ca 0.15 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 3fa3 h ASN 71 Cb 0.47 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 3fa3 h ASN 71 CO -0.42 0.41 0.02 0.00 -1.29 0.00 0.00 177.43 176.15 3fa3 h ALA 72 N 0.90 1.72 -0.08 1.57 0.00 -0.46 -1.68 119.26 121.22 3fa3 h ALA 72 Ca 0.07 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 72 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fa3 h ALA 72 CO -0.00 0.22 -0.76 1.49 0.00 0.00 0.00 179.25 180.19 3fa3 h GLU 73 N 0.24 0.47 -0.09 0.00 4.81 -0.63 -0.20 114.58 119.19 3fa3 h GLU 73 Ca 0.06 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 58.80 3fa3 h GLU 73 Cb 0.13 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3fa3 h GLU 73 CO -0.00 1.03 -0.31 0.00 -0.73 0.00 0.00 179.01 179.01 3fa3 h MET 74 N 0.32 0.37 -0.58 1.92 -0.00 -1.38 -3.15 114.93 112.41 3fa3 h MET 74 Ca -0.04 -0.28 0.07 0.00 -0.00 0.00 0.00 59.70 59.45 3fa3 h MET 74 Cb 1.35 0.05 -0.06 0.00 -0.00 0.00 0.00 31.60 32.95 3fa3 h MET 74 CO 0.14 0.90 0.28 0.82 -0.00 0.00 0.00 176.91 179.04 3fa3 h ILE 75 N -0.09 0.89 0.00 -0.10 2.04 -1.31 -1.61 117.51 117.33 3fa3 h ILE 75 Ca -0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fa3 h ILE 75 Cb 0.94 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3fa3 h ILE 75 CO 0.07 0.09 0.12 0.28 0.00 0.00 0.00 178.15 178.71 3fa3 h SER 76 N 0.51 0.00 -0.00 1.72 0.02 -1.02 -3.28 113.55 111.50 3fa3 h SER 76 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3fa3 h SER 76 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3fa3 h SER 76 CO -0.22 0.00 -0.02 0.59 -1.14 0.00 0.00 176.83 176.04 3fa3 n ASN 77 N -2.45 0.76 -0.05 3.07 3.02 -0.62 -3.39 115.26 115.61 3fa3 n ASN 77 Ca -0.02 -0.88 -0.12 0.00 -0.03 0.00 0.00 54.58 53.54 3fa3 n ASN 77 Cb 0.16 0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 3fa3 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa3 h ILE 78 N 0.20 1.25 -3.34 2.41 2.04 -1.59 -3.36 117.51 115.13 3fa3 h ILE 78 Ca 0.00 -0.84 -0.63 0.00 1.00 0.00 0.00 64.86 64.39 3fa3 h ILE 78 Cb 0.05 1.53 -0.40 0.00 -0.74 0.00 0.00 36.82 37.26 3fa3 h ILE 78 CO 0.00 0.25 -0.70 -0.55 0.00 0.00 0.00 178.15 177.15 3fa3 s SER 79 N -5.77 4.24 0.59 1.72 0.15 -1.26 -4.96 113.70 108.40 3fa3 s SER 79 Ca -0.14 -2.47 0.30 0.00 0.70 0.00 0.00 55.95 54.34 3fa3 s SER 79 Cb 0.06 -1.37 1.82 0.00 -1.71 0.00 0.00 66.02 64.81 3fa3 s SER 79 CO 0.71 -0.31 2.25 -0.65 1.20 0.00 0.00 173.24 176.44 3fa3 h PRO 80 N 7.11 0.00 0.00 5.44 0.11 -1.72 -0.24 132.00 142.70 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 0.56 0.01 -0.30 -1.13 -0.21 0.00 0.00 178.00 176.93 3fa3 n SER 81 N -3.80 0.38 -4.68 -2.05 3.41 -1.26 -3.71 113.62 101.91 3fa3 n SER 81 Ca -0.03 0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 3fa3 n SER 81 Cb 0.09 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 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 -3.03 4.90 0.22 6.66 2.01 -0.10 -4.79 115.64 121.50 3fa3 s THR 82 Ca 0.11 1.68 -0.32 0.00 0.31 0.00 0.00 61.69 63.47 3fa3 s THR 82 Cb 0.17 -4.15 -0.12 0.00 0.01 0.00 0.00 72.50 68.41 3fa3 s THR 82 CO 0.63 0.07 1.71 -2.16 -0.69 0.00 0.00 174.62 174.19 3fa3 s PRO 83 N 1.82 4.12 -0.16 4.92 0.04 -1.26 -4.85 135.00 139.64 3fa3 s PRO 83 Ca 0.40 2.61 -0.01 0.00 0.04 0.00 0.00 61.00 64.04 3fa3 s PRO 83 Cb -0.17 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 3fa3 s PRO 83 CO 0.15 -0.74 -0.12 0.08 0.04 0.00 0.00 177.00 176.41 3fa3 s VAL 84 N 1.05 2.98 -0.26 -0.36 1.01 -1.26 -1.56 120.40 122.00 3fa3 s VAL 84 Ca 0.74 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 3fa3 s VAL 84 Cb -0.50 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3fa3 s VAL 84 CO 0.34 0.50 0.24 -0.63 0.00 0.00 0.00 175.10 175.55 3fa3 s ILE 85 N 0.75 5.29 -0.08 2.22 1.01 -0.42 0.23 121.20 130.20 3fa3 s ILE 85 Ca -0.05 0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.95 3fa3 s ILE 85 Cb -0.15 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 3fa3 s ILE 85 CO 0.01 0.26 -0.22 0.00 0.00 0.00 0.00 174.94 174.99 3fa3 s ALA 86 N 1.60 2.27 0.40 9.38 0.00 -0.42 -0.35 121.76 134.64 3fa3 s ALA 86 Ca 0.10 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 3fa3 s ALA 86 Cb -0.15 -0.81 -0.11 0.00 0.00 0.00 0.00 23.12 22.05 3fa3 s ALA 86 CO 0.09 0.37 1.19 -3.47 0.00 0.00 0.00 175.76 173.94 3fa3 n ASP 87 N 3.13 2.17 -0.03 0.00 -0.08 -0.84 -2.18 116.55 118.72 3fa3 n ASP 87 Ca -0.18 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 3fa3 n ASP 87 Cb 0.52 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.54 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 -0.15 1.30 -0.85 -1.67 0.00 -0.96 -4.76 120.51 113.41 3fa3 n ALA 88 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3fa3 n ALA 88 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.13 0.00 -0.63 0.00 8.00 -1.20 -0.34 116.55 122.24 3fa3 n ASP 89 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 3fa3 n ASP 89 Cb 0.46 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.70 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 0.80 -0.82 -3.53 -2.24 -1.26 -0.75 114.28 106.48 3fa3 n THR 90 Ca 0.00 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3fa3 n THR 90 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.58 0.52 3.87 3.38 0.00 0.53 -4.43 105.19 109.64 3fa3 n GLY 91 Ca 0.11 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.82 -2.16 0.00 1.61 4.02 -1.26 -2.62 117.16 113.93 3fa3 n TYR 92 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.90 58.72 3fa3 n TYR 92 Cb 0.00 -3.72 0.00 0.00 -0.02 0.00 0.00 39.34 35.60 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 -1.58 0.57 0.37 2.72 0.00 -1.26 -4.79 105.19 101.21 3fa3 n GLY 93 Ca 0.04 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 3fa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 94 N 0.00 1.33 0.24 -0.02 0.00 -1.26 -4.68 105.19 100.81 3fa3 n GLY 94 Ca 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.15 -0.21 -0.23 1.61 -0.02 -1.26 -1.48 135.00 132.27 3fa3 n PRO 95 Ca 0.02 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3fa3 n PRO 95 Cb 0.06 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.02 -0.69 4.25 1.08 -1.97 0.26 117.51 120.46 3fa3 h ILE 96 Ca 0.15 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.54 3fa3 h ILE 96 Cb 0.30 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 3fa3 h ILE 96 CO -0.58 0.00 0.13 0.24 -0.69 0.00 0.00 178.15 177.25 3fa3 h MET 97 N -0.26 1.13 -1.00 2.37 2.86 -1.53 -1.38 114.93 117.13 3fa3 h MET 97 Ca 0.12 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3fa3 h MET 97 Cb 0.54 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 3fa3 h MET 97 CO -0.71 1.02 0.65 0.28 1.06 0.00 0.00 176.91 179.21 3fa3 h VAL 98 N 1.06 1.12 -0.05 -2.22 2.07 -0.24 0.14 116.25 118.13 3fa3 h VAL 98 Ca 0.21 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3fa3 h VAL 98 Cb 0.42 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3fa3 h VAL 98 CO 0.01 0.22 0.03 0.00 0.02 0.00 0.00 177.57 177.85 3fa3 h ALA 99 N 1.44 0.07 -0.70 1.67 0.00 -0.02 -0.57 119.26 121.15 3fa3 h ALA 99 Ca 0.42 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3fa3 h ALA 99 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3fa3 h ALA 99 CO -0.15 -0.42 0.21 0.00 0.00 0.00 0.00 179.25 178.89 3fa3 h ARG 100 N 0.04 1.09 -0.45 0.00 3.08 -0.13 0.42 114.38 118.43 3fa3 h ARG 100 Ca 0.02 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 59.90 3fa3 h ARG 100 Cb 0.03 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 3fa3 h ARG 100 CO -0.00 0.95 0.09 1.15 -1.07 0.00 0.00 179.97 181.09 3fa3 h THR 101 N 1.03 0.76 -0.19 2.04 2.02 -0.66 0.22 112.91 118.12 3fa3 h THR 101 Ca 0.22 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 3fa3 h THR 101 Cb 0.31 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3fa3 h THR 101 CO -0.01 0.04 -0.08 0.74 0.37 0.00 0.00 175.52 176.59 3fa3 h THR 102 N 0.23 1.30 -0.44 3.16 2.02 -0.32 -0.87 112.91 117.99 3fa3 h THR 102 Ca 0.22 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.34 3fa3 h THR 102 Cb 0.28 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3fa3 h THR 102 CO -0.29 0.34 0.18 -0.33 0.37 0.00 0.00 175.52 175.79 3fa3 h GLU 103 N 0.09 0.35 0.17 6.66 5.08 -0.60 -0.94 114.58 125.39 3fa3 h GLU 103 Ca 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3fa3 h GLU 103 Cb 0.55 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3fa3 h GLU 103 CO 0.03 0.23 -0.08 1.96 -1.00 0.00 0.00 179.01 180.15 3fa3 h GLN 104 N 0.36 -0.22 -0.66 2.33 4.20 -0.37 -0.32 115.11 120.42 3fa3 h GLN 104 Ca 0.20 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.06 3fa3 h GLN 104 Cb 0.17 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 27.88 3fa3 h GLN 104 CO -0.19 0.19 -0.18 1.88 -0.67 0.00 0.00 178.83 179.87 3fa3 h TYR 105 N -0.76 -0.39 0.00 2.96 -1.99 -1.24 0.12 116.97 115.68 3fa3 h TYR 105 Ca -0.02 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3fa3 h TYR 105 Cb 0.52 0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.52 3fa3 h TYR 105 CO 0.07 -0.29 0.00 0.43 -0.00 0.00 0.00 178.16 178.37 3fa3 n SER 106 N -5.45 0.00 0.18 3.88 7.64 -0.36 -1.14 113.62 118.37 3fa3 n SER 106 Ca 0.08 0.82 0.18 0.00 1.01 0.00 0.00 58.87 60.96 3fa3 n SER 106 Cb 0.34 -0.32 0.77 0.00 -1.01 0.00 0.00 64.21 64.00 3fa3 n SER 106 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3fa3 h ARG 107 N 0.00 0.00 0.04 1.43 3.08 -0.60 -2.03 114.38 116.30 3fa3 h ARG 107 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3fa3 h ARG 107 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3fa3 h ARG 107 CO 0.00 0.00 -1.06 0.77 -1.07 0.00 0.00 179.97 178.61 3fa3 h SER 108 N 0.00 0.17 0.00 7.04 0.02 -0.42 -3.47 113.55 116.89 3fa3 h SER 108 Ca 0.12 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3fa3 h SER 108 Cb 0.91 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3fa3 h SER 108 CO -0.00 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.41 3fa3 n GLY 109 N 1.33 1.27 3.68 -3.77 0.00 -0.76 -4.79 105.19 102.14 3fa3 n GLY 109 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.82 3.87 0.06 1.61 1.01 -0.29 -4.59 120.40 120.25 3fa3 s VAL 110 Ca 0.00 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 3fa3 s VAL 110 Cb 0.00 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 3fa3 s VAL 110 CO 0.00 -0.04 1.51 0.00 0.00 0.00 0.00 175.10 176.57 3fa3 h ALA 111 N 8.18 0.21 -2.52 5.51 0.00 -0.54 -3.42 119.26 126.67 3fa3 h ALA 111 Ca -0.35 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 3fa3 h ALA 111 Cb 1.16 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 3fa3 h ALA 111 CO 0.92 -0.11 -0.56 0.00 0.00 0.00 0.00 179.25 179.50 3fa3 s ALA 112 N -5.08 0.75 0.11 0.00 0.00 -0.69 -2.16 121.76 114.69 3fa3 s ALA 112 Ca -0.14 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.26 3fa3 s ALA 112 Cb 0.06 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.22 3fa3 s ALA 112 CO 0.71 -0.56 0.37 -0.59 0.00 0.00 0.00 175.76 175.69 3fa3 s PHE 113 N -4.06 -0.15 -0.05 0.00 -0.12 -0.00 -1.30 117.98 112.30 3fa3 s PHE 113 Ca 0.27 -0.15 0.06 0.00 -0.05 0.00 0.00 56.93 57.06 3fa3 s PHE 113 Cb 0.06 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 3fa3 s PHE 113 CO 0.04 -0.65 -0.23 -3.38 -0.05 0.00 0.00 175.22 170.95 3fa3 s HIS 114 N -3.62 2.46 -0.16 3.49 -3.43 -0.93 -0.76 115.29 112.34 3fa3 s HIS 114 Ca 0.02 -0.51 -0.01 0.00 -0.80 0.00 0.00 55.06 53.77 3fa3 s HIS 114 Cb 0.02 -1.58 -0.01 0.00 -1.43 0.00 0.00 32.58 29.58 3fa3 s HIS 114 CO -0.11 -0.08 -0.12 0.42 -2.00 0.00 0.00 174.74 172.86 3fa3 s ILE 115 N -0.41 2.91 0.60 -5.38 1.01 -0.14 -2.27 121.20 117.52 3fa3 s ILE 115 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3fa3 s ILE 115 Cb -0.12 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.19 3fa3 s ILE 115 CO 0.01 0.50 0.83 -1.83 0.00 0.00 0.00 174.94 174.46 3fa3 s GLU 116 N 0.82 2.17 -0.21 2.79 -1.05 0.07 -0.60 118.70 122.69 3fa3 s GLU 116 Ca -0.04 -1.37 0.15 0.00 -0.15 0.00 0.00 54.97 53.56 3fa3 s GLU 116 Cb -0.15 -2.54 0.60 0.00 -0.44 0.00 0.00 34.13 31.59 3fa3 s GLU 116 CO 0.00 -0.98 1.51 -0.40 0.95 0.00 0.00 175.26 176.34 3fa3 n ASP 117 N -2.40 4.22 -4.89 0.83 5.75 -1.22 -4.75 116.55 114.09 3fa3 n ASP 117 Ca 0.14 -3.06 -0.30 0.00 -0.01 0.00 0.00 54.79 51.57 3fa3 n ASP 117 Cb 0.61 -0.59 0.05 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.86 2.76 1.01 0.11 -0.21 -1.26 -0.59 119.66 118.62 3fa3 s GLN 118 Ca 0.46 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 56.09 3fa3 s GLN 118 Cb 0.37 -2.04 0.15 0.00 1.00 0.00 0.00 33.01 32.48 3fa3 s GLN 118 CO 0.10 -1.07 0.80 0.28 -2.12 0.00 0.00 175.29 173.28 3fa3 n VAL 119 N -3.00 0.00 0.12 1.09 0.31 -0.88 -4.42 118.33 111.54 3fa3 n VAL 119 Ca 0.07 -0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.21 3fa3 n VAL 119 Cb 0.58 -0.86 0.25 0.00 -0.91 0.00 0.00 33.84 32.90 3fa3 n VAL 119 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3fa3 h GLN 120 N -2.01 0.15 -2.88 5.55 4.15 -1.97 -3.11 115.11 114.99 3fa3 h GLN 120 Ca -0.48 -0.07 -0.67 0.00 0.77 0.00 0.00 58.65 58.19 3fa3 h GLN 120 Cb 1.30 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 3fa3 h GLN 120 CO 0.41 0.56 3.41 0.25 -1.93 0.00 0.00 178.83 181.53 3fa3 n THR 121 N -4.01 4.49 -1.20 2.39 -2.24 -1.26 -4.77 114.28 107.68 3fa3 n THR 121 Ca -0.02 -2.94 -0.32 0.00 -2.27 0.00 0.00 64.05 58.50 3fa3 n THR 121 Cb 0.48 -2.48 0.11 0.00 -2.10 0.00 0.00 70.33 66.34 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 1.38 1.90 0.25 -0.78 0.00 -1.18 -4.74 119.74 116.57 3fa3 s LYS 122 Ca 0.66 1.49 0.11 0.00 0.00 0.00 0.00 55.97 58.23 3fa3 s LYS 122 Cb 0.19 -1.83 -0.05 0.00 0.00 0.00 0.00 37.83 36.14 3fa3 s LYS 122 CO -0.07 -1.96 -0.12 -0.98 0.00 0.00 0.00 175.35 172.22 3fa3 s ARG 123 N -4.42 1.94 0.24 1.78 1.70 -1.26 -1.00 118.95 117.93 3fa3 s ARG 123 Ca 0.68 -1.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.09 3fa3 s ARG 123 Cb -0.23 -1.97 -0.15 0.00 -0.57 0.00 0.00 34.95 32.03 3fa3 s ARG 123 CO 0.51 0.36 0.93 0.00 -1.08 0.00 0.00 175.30 176.02 3fa3 n GLY 125 N 1.58 0.45 0.40 0.00 0.00 -1.26 -1.79 105.19 104.57 3fa3 n GLY 125 Ca 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3fa3 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fa3 n HIS 126 N -0.20 0.30 -4.33 1.61 8.25 -1.26 -4.64 115.22 114.95 3fa3 n HIS 126 Ca 0.00 -1.06 -0.35 0.00 -0.26 0.00 0.00 57.72 56.06 3fa3 n HIS 126 Cb 0.15 -0.22 -0.09 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.93 3.64 0.39 2.41 1.43 -0.74 -4.88 118.68 118.01 3fa3 s LEU 127 Ca 0.36 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.40 3fa3 s LEU 127 Cb 0.31 -1.85 -0.15 0.00 0.03 0.00 0.00 46.19 44.54 3fa3 s LEU 127 CO 0.03 0.38 0.26 0.00 0.23 0.00 0.00 176.35 177.25 3fa3 n ALA 128 N 2.09 -2.55 -1.59 4.21 0.00 -1.26 -4.14 120.51 117.27 3fa3 n ALA 128 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3fa3 n ALA 128 Cb 0.54 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3fa3 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 129 N 2.15 0.42 3.76 0.00 0.00 -1.26 -5.01 105.19 105.26 3fa3 n GLY 129 Ca 0.12 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.20 4.23 -0.17 1.61 1.02 -1.26 -5.00 119.74 116.97 3fa3 s LYS 130 Ca 0.00 2.40 -0.02 0.00 0.02 0.00 0.00 55.97 58.36 3fa3 s LYS 130 Cb 0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3fa3 s LYS 130 CO 0.00 -0.41 -0.08 0.42 -0.92 0.00 0.00 175.35 174.36 3fa3 s ILE 131 N -0.73 3.36 0.39 2.17 -1.09 -1.26 -4.96 121.20 119.08 3fa3 s ILE 131 Ca 0.54 -0.53 0.08 0.00 -2.23 0.00 0.00 60.65 58.51 3fa3 s ILE 131 Cb -0.43 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.95 3fa3 s ILE 131 CO 0.53 0.48 0.37 -0.76 -1.23 0.00 0.00 174.94 174.33 3fa3 s LEU 132 N 0.76 3.48 0.39 2.97 1.43 -1.26 -2.08 118.68 124.36 3fa3 s LEU 132 Ca -0.03 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 3fa3 s LEU 132 Cb -0.15 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3fa3 s LEU 132 CO 0.02 -0.57 0.55 0.54 0.23 0.00 0.00 176.35 177.12 3fa3 s VAL 133 N -2.41 3.62 0.67 -1.59 0.11 0.24 -4.58 120.40 116.46 3fa3 s VAL 133 Ca 0.46 -0.91 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 3fa3 s VAL 133 Cb -0.04 -3.26 0.03 0.00 -1.53 0.00 0.00 36.38 31.58 3fa3 s VAL 133 CO 0.28 -0.12 1.01 1.51 -3.33 0.00 0.00 175.10 174.45 3fa3 s ASP 134 N -4.25 5.24 0.17 3.54 3.84 -1.26 -4.82 116.67 119.12 3fa3 s ASP 134 Ca 0.49 0.77 -0.15 0.00 -0.00 0.00 0.00 52.55 53.67 3fa3 s ASP 134 Cb -0.10 -1.57 0.13 0.00 -1.38 0.00 0.00 42.92 40.00 3fa3 s ASP 134 CO 0.33 -1.36 1.71 0.74 -0.00 0.00 0.00 175.17 176.59 3fa3 h THR 135 N -0.51 0.73 0.24 2.11 2.02 -1.97 0.42 112.91 115.95 3fa3 h THR 135 Ca -0.45 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3fa3 h THR 135 Cb 1.28 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3fa3 h THR 135 CO 0.62 0.03 -0.33 0.44 0.37 0.00 0.00 175.52 176.65 3fa3 h ASP 136 N 0.17 -0.91 -0.92 4.18 3.32 -1.99 0.61 116.42 120.88 3fa3 h ASP 136 Ca 0.21 0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.53 3fa3 h ASP 136 Cb 0.28 0.33 -0.11 0.00 0.22 0.00 0.00 39.33 40.05 3fa3 h ASP 136 CO -0.30 -0.44 0.50 0.74 -1.72 0.00 0.00 179.24 178.01 3fa3 h THR 137 N -0.63 0.65 -0.13 0.35 2.02 -1.55 0.65 112.91 114.28 3fa3 h THR 137 Ca 0.00 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 3fa3 h THR 137 Cb 0.60 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3fa3 h THR 137 CO -0.12 0.11 -0.07 0.22 0.37 0.00 0.00 175.52 176.04 3fa3 h TYR 138 N 0.62 0.32 -0.68 3.16 3.20 0.27 -3.03 116.97 120.83 3fa3 h TYR 138 Ca 0.53 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 62.26 3fa3 h TYR 138 Cb 0.86 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3fa3 h TYR 138 CO -0.07 0.62 0.18 0.28 -1.64 0.00 0.00 178.16 177.53 3fa3 h VAL 139 N -0.07 1.26 -0.93 1.81 2.07 0.14 -2.32 116.25 118.21 3fa3 h VAL 139 Ca 0.03 -0.93 0.18 0.00 0.82 0.00 0.00 66.70 66.79 3fa3 h VAL 139 Cb 0.54 0.56 -0.17 0.00 -1.52 0.00 0.00 31.29 30.69 3fa3 h VAL 139 CO 0.02 0.36 -0.26 0.74 0.02 0.00 0.00 177.57 178.44 3fa3 h THR 140 N 1.02 0.06 -0.58 2.57 2.02 -0.98 0.38 112.91 117.40 3fa3 h THR 140 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3fa3 h THR 140 Cb 0.35 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 3fa3 h THR 140 CO -0.00 0.00 0.31 0.03 0.37 0.00 0.00 175.52 176.23 3fa3 h ARG 141 N -0.01 0.58 -0.12 6.66 3.08 -1.28 -1.98 114.38 121.30 3fa3 h ARG 141 Ca 0.42 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 3fa3 h ARG 141 Cb 0.66 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3fa3 h ARG 141 CO -0.95 0.38 0.05 0.82 -1.07 0.00 0.00 179.97 179.20 3fa3 h ILE 142 N 0.60 1.16 0.00 2.04 1.08 -0.96 -2.56 117.51 118.87 3fa3 h ILE 142 Ca 0.25 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3fa3 h ILE 142 Cb 0.14 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 3fa3 h ILE 142 CO -0.16 0.14 -0.08 0.03 -0.69 0.00 0.00 178.15 177.39 3fa3 h ARG 143 N 0.04 0.00 0.20 2.37 3.08 0.04 -0.09 114.38 120.02 3fa3 h ARG 143 Ca 0.04 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.82 3fa3 h ARG 143 Cb 0.18 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.26 3fa3 h ARG 143 CO -0.00 0.08 -1.23 0.00 -1.07 0.00 0.00 179.97 177.75 3fa3 h ALA 144 N 1.92 -0.09 -0.00 0.04 0.00 -1.23 0.35 119.26 120.23 3fa3 h ALA 144 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 3fa3 h ALA 144 Cb 0.20 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fa3 h ALA 144 CO 0.01 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3fa3 h ALA 145 N 0.11 0.01 0.51 0.00 0.00 -1.03 0.82 119.26 119.67 3fa3 h ALA 145 Ca -0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3fa3 h ALA 145 Cb 1.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3fa3 h ALA 145 CO 0.21 -0.45 -0.24 -0.39 0.00 0.00 0.00 179.25 178.37 3fa3 h VAL 146 N -0.07 0.48 -0.98 0.00 -1.51 -1.03 -1.17 116.25 111.96 3fa3 h VAL 146 Ca 0.00 -0.17 0.18 0.00 -1.23 0.00 0.00 66.70 65.48 3fa3 h VAL 146 Cb 0.08 0.55 -0.09 0.00 -2.13 0.00 0.00 31.29 29.70 3fa3 h VAL 146 CO -0.00 0.03 0.61 1.56 -1.23 0.00 0.00 177.57 178.54 3fa3 h GLN 147 N -0.79 0.72 -0.18 5.19 4.20 -0.30 -2.19 115.11 121.76 3fa3 h GLN 147 Ca -0.07 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.64 3fa3 h GLN 147 Cb 0.57 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 3fa3 h GLN 147 CO 0.11 0.48 -0.11 0.00 -0.67 0.00 0.00 178.83 178.65 3fa3 h ALA 148 N 1.62 0.04 -0.41 3.87 0.00 0.11 -2.62 119.26 121.87 3fa3 h ALA 148 Ca 0.54 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.46 3fa3 h ALA 148 Cb 0.87 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3fa3 h ALA 148 CO -0.32 -0.54 0.00 0.07 0.00 0.00 0.00 179.25 178.47 3fa3 h ARG 149 N -0.10 0.73 0.14 0.00 0.11 -0.59 -3.16 114.38 111.50 3fa3 h ARG 149 Ca 0.11 -0.23 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 3fa3 h ARG 149 Cb 0.25 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 3fa3 h ARG 149 CO -0.25 0.81 -0.07 1.96 0.10 0.00 0.00 179.97 182.52 3fa3 h GLN 150 N 0.56 -0.19 -1.24 0.08 4.20 -1.45 0.72 115.11 117.79 3fa3 h GLN 150 Ca 0.12 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.22 3fa3 h GLN 150 Cb 0.48 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.19 3fa3 h GLN 150 CO 0.02 -0.13 0.80 -0.09 -0.67 0.00 0.00 178.83 178.77 3fa3 h ARG 151 N -0.20 0.17 0.00 1.46 2.43 -1.50 -0.77 114.38 115.97 3fa3 h ARG 151 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fa3 h ARG 151 Cb 0.16 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3fa3 h ARG 151 CO 0.02 0.11 -1.40 0.44 -1.51 0.00 0.00 179.97 177.64 3fa3 n ILE 152 N -4.64 0.00 -0.40 1.20 -5.35 -0.50 -5.01 119.36 104.66 3fa3 n ILE 152 Ca 0.33 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 3fa3 n ILE 152 Cb 1.27 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 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 1.43 0.75 3.81 3.28 0.00 0.24 -5.08 105.19 109.63 3fa3 n GLY 153 Ca -0.00 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.40 7.09 0.00 1.61 0.15 -0.99 -4.97 113.70 114.19 3fa3 s SER 154 Ca 0.00 1.30 0.16 0.00 0.70 0.00 0.00 55.95 58.11 3fa3 s SER 154 Cb 0.00 -2.37 0.97 0.00 -1.71 0.00 0.00 66.02 62.91 3fa3 s SER 154 CO 0.00 0.26 1.52 0.47 1.20 0.00 0.00 173.24 176.69 3fa3 n ASP 155 N 1.66 0.00 -4.52 5.45 8.00 -1.26 -4.67 116.55 121.21 3fa3 n ASP 155 Ca -0.10 -1.19 -0.45 0.00 0.71 0.00 0.00 54.79 53.76 3fa3 n ASP 155 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 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 -0.80 1.99 -3.18 0.53 3.06 -1.26 -4.72 119.36 114.97 3fa3 n ILE 156 Ca 0.12 -0.50 -0.40 0.00 -2.50 0.00 0.00 62.75 59.47 3fa3 n ILE 156 Cb 0.06 -0.65 -0.07 0.00 0.54 0.00 0.00 39.64 39.52 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 -1.07 5.03 -0.82 9.51 1.01 -0.92 -5.00 120.40 128.14 3fa3 s VAL 157 Ca 0.61 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.40 3fa3 s VAL 157 Cb -0.77 -3.88 0.14 0.00 0.00 0.00 0.00 36.38 31.88 3fa3 s VAL 157 CO 0.59 0.06 0.96 -0.69 0.00 0.00 0.00 175.10 176.02 3fa3 s VAL 158 N 2.38 4.91 -0.10 2.92 1.01 -1.26 -0.82 120.40 129.44 3fa3 s VAL 158 Ca 0.24 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.37 3fa3 s VAL 158 Cb -0.16 -4.65 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 3fa3 s VAL 158 CO 0.09 -1.33 0.90 -0.63 0.00 0.00 0.00 175.10 174.12 3fa3 s ILE 159 N 2.24 4.87 -0.22 2.22 1.01 0.06 -1.78 121.20 129.61 3fa3 s ILE 159 Ca 0.25 1.82 -0.09 0.00 0.00 0.00 0.00 60.65 62.63 3fa3 s ILE 159 Cb -0.10 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3fa3 s ILE 159 CO -0.05 0.08 0.11 0.00 0.00 0.00 0.00 174.94 175.08 3fa3 s ALA 160 N 1.65 3.47 0.03 9.38 0.00 -0.47 -0.97 121.76 134.85 3fa3 s ALA 160 Ca 0.44 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.63 3fa3 s ALA 160 Cb -0.18 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 3fa3 s ALA 160 CO 0.18 -0.07 -0.26 0.50 0.00 0.00 0.00 175.76 176.11 3fa3 s ARG 161 N 0.83 1.84 -0.06 0.00 3.52 0.23 -0.83 118.95 124.48 3fa3 s ARG 161 Ca 0.06 -1.04 0.05 0.00 -0.13 0.00 0.00 55.73 54.67 3fa3 s ARG 161 Cb -0.13 -1.94 -0.00 0.00 -1.56 0.00 0.00 34.95 31.31 3fa3 s ARG 161 CO 0.02 0.51 -0.21 -0.08 -0.81 0.00 0.00 175.30 174.73 3fa3 s THR 162 N -0.74 1.79 -0.35 4.11 -1.32 -0.40 -3.37 115.64 115.35 3fa3 s THR 162 Ca 0.11 -0.90 0.10 0.00 -1.21 0.00 0.00 61.69 59.79 3fa3 s THR 162 Cb -0.10 -1.53 0.69 0.00 -1.51 0.00 0.00 72.50 70.05 3fa3 s THR 162 CO 0.01 0.50 1.62 0.47 -2.21 0.00 0.00 174.62 175.02 3fa3 n ASP 163 N 3.19 4.85 -0.82 8.08 8.00 -1.26 -2.17 116.55 136.42 3fa3 n ASP 163 Ca -0.18 -2.92 0.09 0.00 0.71 0.00 0.00 54.79 52.49 3fa3 n ASP 163 Cb 0.52 -0.69 0.11 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.27 2.76 0.27 -2.24 3.41 -1.26 -4.27 113.62 112.56 3fa3 n SER 164 Ca 0.29 -1.83 -0.16 0.00 -0.26 0.00 0.00 58.87 56.92 3fa3 n SER 164 Cb 1.16 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.95 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 3.64 -0.54 -2.13 1.04 5.85 -1.80 -1.29 115.31 120.08 3fa3 h LEU 165 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3fa3 h LEU 165 Cb 0.80 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3fa3 h LEU 165 CO 0.00 -0.34 -0.05 0.06 -0.34 0.00 0.00 178.44 177.76 3fa3 h GLN 166 N -0.70 0.00 0.00 1.25 3.07 -1.88 -1.49 115.11 115.36 3fa3 h GLN 166 Ca -0.07 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.43 3fa3 h GLN 166 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.03 3fa3 h GLN 166 CO 0.11 0.05 -2.17 0.25 0.09 0.00 0.00 178.83 177.16 3fa3 n THR 167 N -4.04 0.92 -1.00 1.86 -2.24 -1.14 -4.66 114.28 103.98 3fa3 n THR 167 Ca -0.03 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3fa3 n THR 167 Cb 0.14 -0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.55 0.00 -0.04 4.78 8.25 -0.50 -5.13 115.22 120.04 3fa3 n HIS 168 Ca -0.23 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 3fa3 n HIS 168 Cb 0.94 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 32.03 3fa3 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 169 N -0.16 -1.29 0.09 -1.41 0.00 -0.56 -4.19 105.19 97.67 3fa3 n GLY 169 Ca 0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N -0.03 0.20 0.31 1.61 3.20 -1.89 -2.97 116.97 117.40 3fa3 h TYR 170 Ca 0.00 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3fa3 h TYR 170 Cb 0.03 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3fa3 h TYR 170 CO -0.08 0.29 -0.15 0.93 -1.64 0.00 0.00 178.16 177.51 3fa3 h GLU 171 N 0.05 -0.40 -0.17 1.82 4.39 -1.98 -1.74 114.58 116.55 3fa3 h GLU 171 Ca 0.04 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.82 3fa3 h GLU 171 Cb 0.18 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3fa3 h GLU 171 CO -0.00 -0.07 0.29 1.49 -1.16 0.00 0.00 179.01 179.56 3fa3 h GLU 172 N -0.86 0.00 -0.24 2.33 4.57 -1.73 -0.17 114.58 118.48 3fa3 h GLU 172 Ca -0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3fa3 h GLU 172 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3fa3 h GLU 172 CO 0.07 0.00 0.07 0.77 -1.18 0.00 0.00 179.01 178.74 3fa3 h SER 173 N 0.00 0.36 0.06 1.04 0.02 -1.17 -2.51 113.55 111.34 3fa3 h SER 173 Ca 0.08 -0.22 -0.21 0.00 -0.84 0.00 0.00 61.79 60.61 3fa3 h SER 173 Cb 0.65 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3fa3 h SER 173 CO -0.00 0.48 -0.77 0.58 -1.14 0.00 0.00 176.83 175.98 3fa3 h VAL 174 N 0.22 1.33 -0.94 2.27 2.07 -0.60 -2.90 116.25 117.70 3fa3 h VAL 174 Ca 0.08 -2.07 0.20 0.00 0.82 0.00 0.00 66.70 65.73 3fa3 h VAL 174 Cb 0.26 2.06 -0.18 0.00 -1.52 0.00 0.00 31.29 31.91 3fa3 h VAL 174 CO -0.00 0.64 -0.16 0.00 0.02 0.00 0.00 177.57 178.07 3fa3 h ALA 175 N 0.73 0.75 -0.02 1.67 0.00 -1.02 0.20 119.26 121.57 3fa3 h ALA 175 Ca -0.05 0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3fa3 h ALA 175 Cb 1.37 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3fa3 h ALA 175 CO 0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 179.25 178.77 3fa3 h ARG 176 N 0.01 0.16 -0.98 0.00 3.08 -1.28 -1.55 114.38 113.82 3fa3 h ARG 176 Ca 0.48 -0.15 0.23 0.00 0.07 0.00 0.00 59.98 60.60 3fa3 h ARG 176 Cb 0.81 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.77 3fa3 h ARG 176 CO -0.94 0.85 0.56 -0.07 -1.07 0.00 0.00 179.97 179.31 3fa3 h LEU 177 N -0.47 0.64 -0.48 3.04 3.38 -1.31 -1.76 115.31 118.34 3fa3 h LEU 177 Ca -0.02 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3fa3 h LEU 177 Cb 0.91 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3fa3 h LEU 177 CO 0.04 0.12 0.18 0.03 0.09 0.00 0.00 178.44 178.90 3fa3 h ARG 178 N 0.59 0.73 -0.18 1.13 3.08 -0.40 0.48 114.38 119.80 3fa3 h ARG 178 Ca 0.61 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.53 3fa3 h ARG 178 Cb 1.11 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3fa3 h ARG 178 CO -0.46 0.67 0.08 0.00 -1.07 0.00 0.00 179.97 179.18 3fa3 h ALA 179 N 1.03 0.21 -0.68 0.04 0.00 -0.47 -2.30 119.26 117.09 3fa3 h ALA 179 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3fa3 h ALA 179 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fa3 h ALA 179 CO -0.01 -0.35 0.21 0.00 0.00 0.00 0.00 179.25 179.10 3fa3 h ALA 180 N 1.10 1.08 -0.89 0.00 0.00 -1.07 -0.40 119.26 119.09 3fa3 h ALA 180 Ca 0.08 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.88 3fa3 h ALA 180 Cb 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 3fa3 h ALA 180 CO -0.07 0.63 0.57 -0.09 0.00 0.00 0.00 179.25 180.29 3fa3 h ARG 181 N 1.01 0.78 -0.00 0.00 2.43 -0.69 -1.39 114.38 116.52 3fa3 h ARG 181 Ca 0.22 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.15 3fa3 h ARG 181 Cb 0.30 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3fa3 h ARG 181 CO -0.01 0.52 -0.84 0.22 -1.51 0.00 0.00 179.97 178.35 3fa3 h ASP 182 N 0.81 0.24 -0.31 -3.80 3.58 -0.95 -2.18 116.42 113.81 3fa3 h ASP 182 Ca 0.43 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3fa3 h ASP 182 Cb 0.52 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3fa3 h ASP 182 CO -0.19 0.98 0.00 0.00 -2.88 0.00 0.00 179.24 177.15 3fa3 n ALA 183 N -2.46 3.21 0.00 -0.78 0.00 -0.20 -4.88 120.51 115.40 3fa3 n ALA 183 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3fa3 n ALA 183 Cb 0.78 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3fa3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 184 N 0.37 0.60 3.57 0.00 0.00 -0.82 -4.52 105.19 104.39 3fa3 n GLY 184 Ca 0.15 0.00 -0.34 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 n ALA 185 N -1.26 -1.04 -0.11 4.61 0.00 -0.79 -4.98 120.51 116.93 3fa3 n ALA 185 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 3fa3 n ALA 185 Cb 0.00 -2.05 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 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 -2.26 1.27 -4.13 0.00 8.00 -0.73 -4.71 116.55 113.98 3fa3 n ASP 186 Ca 0.11 -0.08 -0.20 0.00 0.71 0.00 0.00 54.79 55.34 3fa3 n ASP 186 Cb 0.51 0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.49 1.06 0.06 2.53 1.01 -1.24 -4.16 120.40 117.17 3fa3 s VAL 187 Ca -0.23 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 60.84 3fa3 s VAL 187 Cb 0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3fa3 s VAL 187 CO 0.67 -0.00 -0.08 -0.83 0.00 0.00 0.00 175.10 174.85 3fa3 s GLY 188 N -1.11 1.77 -0.35 4.51 0.00 -0.70 -1.37 107.32 110.07 3fa3 s GLY 188 Ca 0.01 -1.15 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 3fa3 s GLY 188 CO 0.01 -1.08 0.19 -0.12 0.00 0.00 0.00 173.10 172.10 3fa3 s PHE 189 N -1.13 0.94 -0.36 1.90 5.99 -0.01 -0.64 117.98 124.67 3fa3 s PHE 189 Ca 0.20 -1.64 -0.26 0.00 0.00 0.00 0.00 56.93 55.24 3fa3 s PHE 189 Cb -0.11 -1.14 0.01 0.00 0.00 0.00 0.00 43.02 41.78 3fa3 s PHE 189 CO 0.11 -0.83 0.91 -1.17 -0.00 0.00 0.00 175.22 174.25 3fa3 s LEU 190 N 1.17 4.01 0.05 6.12 0.20 -1.26 -1.27 118.68 127.69 3fa3 s LEU 190 Ca 0.16 0.59 -0.23 0.00 0.69 0.00 0.00 54.13 55.34 3fa3 s LEU 190 Cb -0.22 -3.25 -0.06 0.00 -0.43 0.00 0.00 46.19 42.24 3fa3 s LEU 190 CO -0.08 -0.84 0.69 -0.70 -0.29 0.00 0.00 176.35 175.13 3fa3 s GLU 191 N 3.43 4.41 -0.66 1.98 2.56 -0.92 -4.30 118.70 125.20 3fa3 s GLU 191 Ca 0.38 0.93 -0.03 0.00 0.00 0.00 0.00 54.97 56.24 3fa3 s GLU 191 Cb -0.12 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.68 3fa3 s GLU 191 CO 0.18 0.39 0.40 0.41 -0.56 0.00 0.00 175.26 176.09 3fa3 n GLY 192 N 2.22 0.21 3.68 -1.50 0.00 -1.26 -4.74 105.19 103.79 3fa3 n GLY 192 Ca -0.05 -0.32 -0.54 0.00 0.00 0.00 0.00 46.02 45.11 3fa3 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 193 N -3.72 0.27 0.85 -0.61 5.41 -1.26 -4.42 119.36 115.89 3fa3 n ILE 193 Ca -0.02 -0.05 0.12 0.00 1.00 0.00 0.00 62.75 63.80 3fa3 n ILE 193 Cb 0.54 -1.29 0.53 0.00 -0.71 0.00 0.00 39.64 38.71 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 4.17 0.29 -3.71 1.39 -2.24 -1.26 -3.23 114.28 109.70 3fa3 n THR 194 Ca 0.23 0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 62.05 3fa3 n THR 194 Cb 0.19 -0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.00 -0.20 0.46 3.42 1.04 -1.26 -4.62 113.70 109.54 3fa3 s SER 195 Ca 0.12 -0.33 0.27 0.00 0.48 0.00 0.00 55.95 56.49 3fa3 s SER 195 Cb 0.16 0.46 0.72 0.00 0.10 0.00 0.00 66.02 67.46 3fa3 s SER 195 CO 0.45 -0.83 1.74 0.03 0.98 0.00 0.00 173.24 175.62 3fa3 h ARG 196 N 2.00 0.00 -0.03 4.02 3.08 -1.93 0.14 114.38 121.65 3fa3 h ARG 196 Ca -0.24 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.61 3fa3 h ARG 196 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3fa3 h ARG 196 CO 0.26 0.00 -0.84 1.05 -1.07 0.00 0.00 179.97 179.37 3fa3 h GLU 197 N 0.00 0.38 -0.11 0.04 9.09 -1.98 -1.44 114.58 120.56 3fa3 h GLU 197 Ca 0.00 -0.36 -0.08 0.00 0.05 0.00 0.00 59.36 58.96 3fa3 h GLU 197 Cb 0.81 0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 3fa3 h GLU 197 CO 0.00 1.03 -0.25 1.98 0.05 0.00 0.00 179.01 181.81 3fa3 h MET 198 N 0.23 0.36 -0.97 1.06 4.05 -1.88 0.33 114.93 118.12 3fa3 h MET 198 Ca -0.05 -0.24 0.21 0.00 -0.28 0.00 0.00 59.70 59.33 3fa3 h MET 198 Cb 1.45 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 32.20 3fa3 h MET 198 CO 0.14 0.85 0.62 0.00 0.23 0.00 0.00 176.91 178.75 3fa3 h ALA 199 N 0.51 2.02 -0.12 0.39 0.00 -0.67 0.39 119.26 121.78 3fa3 h ALA 199 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3fa3 h ALA 199 Cb 0.85 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fa3 h ALA 199 CO 0.06 -0.36 -0.20 0.00 0.00 0.00 0.00 179.25 178.74 3fa3 h ARG 200 N 0.53 0.34 0.23 0.00 3.08 -1.13 -3.21 114.38 114.22 3fa3 h ARG 200 Ca 0.53 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3fa3 h ARG 200 Cb 1.14 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3fa3 h ARG 200 CO -0.27 0.80 -0.11 1.96 -1.07 0.00 0.00 179.97 181.28 3fa3 h GLN 201 N -0.08 -0.29 -0.65 0.04 1.08 0.35 -2.79 115.11 112.76 3fa3 h GLN 201 Ca 0.01 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3fa3 h GLN 201 Cb 0.77 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.24 3fa3 h GLN 201 CO 0.05 -0.06 0.43 -0.24 -0.95 0.00 0.00 178.83 178.05 3fa3 h VAL 202 N -0.49 1.16 -0.40 -0.54 3.04 -0.67 -1.24 116.25 117.12 3fa3 h VAL 202 Ca -0.03 -0.30 0.05 0.00 -1.01 0.00 0.00 66.70 65.41 3fa3 h VAL 202 Cb 0.37 0.21 -0.05 0.00 -2.01 0.00 0.00 31.29 29.81 3fa3 h VAL 202 CO 0.05 0.16 0.13 0.40 -1.01 0.00 0.00 177.57 177.30 3fa3 h ILE 203 N 0.87 0.87 0.19 3.17 2.04 -1.52 -2.57 117.51 120.56 3fa3 h ILE 203 Ca 0.24 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3fa3 h ILE 203 Cb -0.08 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3fa3 h ILE 203 CO -0.05 0.05 -0.09 -0.61 0.00 0.00 0.00 178.15 177.45 3fa3 h GLN 204 N 0.29 -0.25 -0.54 2.37 5.75 -1.10 -3.15 115.11 118.48 3fa3 h GLN 204 Ca 0.18 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.78 3fa3 h GLN 204 Cb 0.17 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3fa3 h GLN 204 CO -0.20 -0.15 0.36 -0.44 -2.65 0.00 0.00 178.83 175.75 3fa3 h ASP 205 N -0.27 0.36 -2.27 -0.69 3.32 -0.94 -2.71 116.42 113.23 3fa3 h ASP 205 Ca -0.03 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.31 3fa3 h ASP 205 Cb 0.21 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 39.35 3fa3 h ASP 205 CO 0.04 0.23 0.30 0.18 -1.72 0.00 0.00 179.24 178.27 3fa3 n LEU 206 N -4.47 6.11 -4.77 1.55 4.77 -1.00 -5.04 117.00 114.14 3fa3 n LEU 206 Ca 0.08 -5.52 -0.37 0.00 -0.03 0.00 0.00 56.01 50.17 3fa3 n LEU 206 Cb 0.31 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 3fa3 n LEU 206 CO 0.34 2.19 0.81 0.00 -1.33 0.00 0.00 177.39 179.40 3fa3 s ALA 207 N -3.96 3.03 -0.24 -1.18 0.00 -1.02 -3.07 121.76 115.32 3fa3 s ALA 207 Ca 0.43 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.29 3fa3 s ALA 207 Cb 0.23 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3fa3 s ALA 207 CO -0.13 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3fa3 n GLY 208 N 0.46 0.57 2.74 0.00 0.00 -1.26 -5.03 105.19 102.66 3fa3 n GLY 208 Ca 0.06 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.01 0.72 0.50 1.61 -0.00 -1.17 -5.11 118.94 113.47 3fa3 s TRP 209 Ca 0.00 -0.42 -0.23 0.00 -0.00 0.00 0.00 56.10 55.45 3fa3 s TRP 209 Cb 0.00 -0.86 -0.06 0.00 -0.00 0.00 0.00 33.47 32.55 3fa3 s TRP 209 CO 0.00 -0.45 1.38 -1.25 -0.00 0.00 0.00 176.95 176.63 3fa3 s PRO 210 N 1.96 3.41 0.05 5.86 0.04 -1.26 -4.74 135.00 140.31 3fa3 s PRO 210 Ca 0.03 2.29 0.01 0.00 0.04 0.00 0.00 61.00 63.36 3fa3 s PRO 210 Cb -0.14 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 3fa3 s PRO 210 CO -0.07 -0.99 -0.05 -1.17 0.04 0.00 0.00 177.00 174.76 3fa3 s LEU 211 N -3.14 2.35 -0.05 -3.56 2.96 -1.26 -1.72 118.68 114.26 3fa3 s LEU 211 Ca 0.66 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3fa3 s LEU 211 Cb -0.41 0.03 -0.00 0.00 0.50 0.00 0.00 46.19 46.31 3fa3 s LEU 211 CO 0.51 -0.38 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.76 3fa3 s LEU 212 N -2.12 1.93 -0.08 -0.68 1.98 0.19 -0.86 118.68 119.04 3fa3 s LEU 212 Ca -0.04 -0.37 0.03 0.00 -2.89 0.00 0.00 54.13 50.86 3fa3 s LEU 212 Cb -0.03 -1.02 0.01 0.00 0.66 0.00 0.00 46.19 45.80 3fa3 s LEU 212 CO -0.04 0.16 -0.18 -0.22 -1.89 0.00 0.00 176.35 174.18 3fa3 s LEU 213 N 0.04 1.88 -0.56 -0.68 2.96 -0.66 -4.22 118.68 117.43 3fa3 s LEU 213 Ca -0.04 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 3fa3 s LEU 213 Cb -0.12 -1.12 0.14 0.00 0.50 0.00 0.00 46.19 45.59 3fa3 s LEU 213 CO 0.03 0.11 0.45 0.21 -1.32 0.00 0.00 176.35 175.82 3fa3 s ASN 214 N 0.45 5.89 -1.24 3.68 2.47 -1.26 -0.79 114.94 124.13 3fa3 s ASN 214 Ca -0.16 -2.16 -0.14 0.00 0.42 0.00 0.00 52.86 50.82 3fa3 s ASN 214 Cb -0.16 -2.05 0.15 0.00 -1.45 0.00 0.00 41.25 37.73 3fa3 s ASN 214 CO 0.06 -0.65 1.55 0.80 -3.72 0.00 0.00 177.10 175.13 3fa3 n MET 215 N 4.60 3.34 -3.45 0.43 0.00 0.13 -4.78 117.12 117.40 3fa3 n MET 215 Ca -0.03 -3.69 -0.37 0.00 -0.00 0.00 0.00 57.70 53.61 3fa3 n MET 215 Cb 0.41 -3.13 -0.07 0.00 0.00 0.00 0.00 33.22 30.43 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 2.06 5.26 0.17 1.12 1.01 -1.26 -4.32 120.40 124.43 3fa3 s VAL 216 Ca 0.45 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 3fa3 s VAL 216 Cb -0.00 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 3fa3 s VAL 216 CO 0.02 0.36 0.52 -1.61 0.00 0.00 0.00 175.10 174.38 3fa3 s GLU 217 N 0.59 3.85 -0.55 2.72 2.02 -1.26 -4.32 118.70 121.75 3fa3 s GLU 217 Ca 0.20 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.51 3fa3 s GLU 217 Cb -0.14 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3fa3 s GLU 217 CO 0.06 0.42 0.00 0.72 0.02 0.00 0.00 175.26 176.48 3fa3 n HIS 218 N 0.38 -0.04 0.00 1.61 8.25 -1.26 -4.97 115.22 119.19 3fa3 n HIS 218 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3fa3 n HIS 218 Cb 0.52 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 30.29 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 -2.13 1.61 0.14 -1.41 0.00 -1.26 -5.06 105.19 97.08 3fa3 n GLY 219 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 h ALA 220 N 0.44 0.15 -2.55 4.61 0.00 -1.89 -3.45 119.26 116.57 3fa3 h ALA 220 Ca 0.00 -1.14 -0.56 0.00 0.00 0.00 0.00 54.91 53.21 3fa3 h ALA 220 Cb 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3fa3 h ALA 220 CO 0.00 1.03 0.22 0.99 0.00 0.00 0.00 179.25 181.49 3fa3 s THR 221 N -2.58 4.97 0.78 0.00 2.01 -1.20 -4.53 115.64 115.09 3fa3 s THR 221 Ca -0.16 1.61 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 3fa3 s THR 221 Cb 0.05 -4.12 0.06 0.00 0.01 0.00 0.00 72.50 68.50 3fa3 s THR 221 CO 0.85 0.17 1.10 -2.16 -0.69 0.00 0.00 174.62 173.90 3fa3 s PRO 222 N 1.22 2.24 0.09 4.92 0.04 -1.26 -4.53 135.00 137.73 3fa3 s PRO 222 Ca 0.40 0.58 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 3fa3 s PRO 222 Cb -0.18 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3fa3 s PRO 222 CO 0.18 -1.50 0.69 -1.54 0.04 0.00 0.00 177.00 174.87 3fa3 s SER 223 N -4.02 7.20 -0.05 6.66 1.04 -1.26 -4.98 113.70 118.29 3fa3 s SER 223 Ca 0.60 1.43 -0.02 0.00 0.48 0.00 0.00 55.95 58.44 3fa3 s SER 223 Cb -0.14 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.59 3fa3 s SER 223 CO 0.54 0.18 0.11 -0.63 0.98 0.00 0.00 173.24 174.42 3fa3 s ILE 224 N -0.82 -0.05 0.66 -1.02 1.01 -1.26 -5.08 121.20 114.64 3fa3 s ILE 224 Ca 0.33 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 3fa3 s ILE 224 Cb -0.21 -0.20 0.04 0.00 0.01 0.00 0.00 42.46 42.10 3fa3 s ILE 224 CO 0.22 0.08 0.98 -0.94 0.00 0.00 0.00 174.94 175.28 3fa3 s SER 225 N 1.14 5.13 0.05 3.58 1.04 -1.26 -4.89 113.70 118.48 3fa3 s SER 225 Ca -0.09 0.58 -0.24 0.00 0.48 0.00 0.00 55.95 56.68 3fa3 s SER 225 Cb -0.12 -1.36 -0.12 0.00 0.10 0.00 0.00 66.02 64.52 3fa3 s SER 225 CO -0.05 -1.39 1.37 0.00 0.98 0.00 0.00 173.24 174.14 3fa3 h ALA 226 N -0.45 -1.10 -0.96 5.32 0.00 -2.00 -0.64 119.26 119.43 3fa3 h ALA 226 Ca -0.45 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 54.60 3fa3 h ALA 226 Cb 1.29 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 19.42 3fa3 h ALA 226 CO 0.61 -1.09 0.46 0.00 0.00 0.00 0.00 179.25 179.23 3fa3 h ALA 227 N -1.34 1.72 0.05 0.00 0.00 -2.00 -2.39 119.26 115.30 3fa3 h ALA 227 Ca -0.06 0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3fa3 h ALA 227 Cb 0.61 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.62 3fa3 h ALA 227 CO 0.03 -0.51 -0.93 1.49 0.00 0.00 0.00 179.25 179.33 3fa3 h GLU 228 N 0.31 0.54 -0.18 0.00 4.81 -1.85 -1.72 114.58 116.48 3fa3 h GLU 228 Ca 0.67 -0.65 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 3fa3 h GLU 228 Cb 1.45 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 3fa3 h GLU 228 CO -0.61 1.26 -0.47 0.00 -0.73 0.00 0.00 179.01 178.45 3fa3 h ALA 229 N 0.30 0.84 -0.06 2.92 0.00 -0.87 -1.28 119.26 121.11 3fa3 h ALA 229 Ca -0.13 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.35 3fa3 h ALA 229 Cb 1.63 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 3fa3 h ALA 229 CO 0.18 0.66 -0.26 -0.22 0.00 0.00 0.00 179.25 179.61 3fa3 h LYS 230 N 0.38 -0.35 -0.86 0.00 3.64 -1.44 -1.44 116.57 116.50 3fa3 h LYS 230 Ca 0.02 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.58 3fa3 h LYS 230 Cb 0.97 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 3fa3 h LYS 230 CO 0.09 -0.23 0.56 0.93 -2.27 0.00 0.00 179.45 178.53 3fa3 h GLU 231 N -0.36 0.56 0.00 1.90 5.08 -0.30 -1.56 114.58 119.90 3fa3 h GLU 231 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fa3 h GLU 231 Cb 0.48 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fa3 h GLU 231 CO -0.27 0.37 -0.19 -1.33 -1.00 0.00 0.00 179.01 176.60 3fa3 n MET 232 N -4.54 0.16 0.00 2.33 2.81 -0.72 -4.90 117.12 112.25 3fa3 n MET 232 Ca 0.17 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 3fa3 n MET 232 Cb 0.53 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3fa3 n MET 232 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fa3 n GLY 233 N 1.39 1.42 3.81 3.03 0.00 -0.59 -4.93 105.19 109.32 3fa3 n GLY 233 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 3.12 -0.16 1.61 0.40 -0.62 -4.77 117.98 115.55 3fa3 s PHE 234 Ca 0.00 1.55 0.06 0.00 -0.60 0.00 0.00 56.93 57.94 3fa3 s PHE 234 Cb 0.00 -2.97 -0.23 0.00 0.51 0.00 0.00 43.02 40.33 3fa3 s PHE 234 CO 0.00 -0.70 0.19 0.54 0.70 0.00 0.00 175.22 175.95 3fa3 n ARG 235 N -1.26 0.68 -4.65 0.44 5.12 -0.04 -4.56 116.66 112.40 3fa3 n ARG 235 Ca 0.08 0.17 -0.22 0.00 -1.93 0.00 0.00 57.85 55.95 3fa3 n ARG 235 Cb 0.53 -1.63 -0.15 0.00 -1.16 0.00 0.00 32.46 30.05 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 -2.54 1.11 -0.13 0.55 1.01 -0.82 -1.18 121.20 119.20 3fa3 s ILE 236 Ca -0.19 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3fa3 s ILE 236 Cb 0.07 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.63 3fa3 s ILE 236 CO 0.75 0.31 -0.21 -0.51 0.00 0.00 0.00 174.94 175.28 3fa3 s ILE 237 N -0.32 1.97 0.12 2.92 2.07 -0.22 -1.66 121.20 126.07 3fa3 s ILE 237 Ca 0.05 -0.93 0.06 0.00 -1.41 0.00 0.00 60.65 58.42 3fa3 s ILE 237 Cb -0.05 -1.74 -0.04 0.00 0.13 0.00 0.00 42.46 40.75 3fa3 s ILE 237 CO -0.01 0.53 0.00 0.27 -1.91 0.00 0.00 174.94 173.83 3fa3 s ILE 238 N 0.81 3.93 -0.56 2.00 -4.36 0.03 -1.01 121.20 122.04 3fa3 s ILE 238 Ca -0.08 -1.13 0.04 0.00 -0.26 0.00 0.00 60.65 59.23 3fa3 s ILE 238 Cb -0.16 -2.90 0.17 0.00 1.25 0.00 0.00 42.46 40.82 3fa3 s ILE 238 CO -0.01 0.04 0.41 -0.36 0.24 0.00 0.00 174.94 175.26 3fa3 s PHE 239 N -1.44 2.37 0.30 1.37 0.40 -1.11 0.22 117.98 120.09 3fa3 s PHE 239 Ca 0.26 -2.83 0.06 0.00 -0.60 0.00 0.00 56.93 53.82 3fa3 s PHE 239 Cb -0.11 -1.87 0.77 0.00 0.51 0.00 0.00 43.02 42.32 3fa3 s PHE 239 CO 0.18 -0.69 1.74 -1.35 0.70 0.00 0.00 175.22 175.81 3fa3 h PRO 240 N 5.62 0.59 -0.94 0.24 0.11 -1.87 -1.59 132.00 134.16 3fa3 h PRO 240 Ca 0.18 -0.04 -0.37 0.00 0.11 0.00 0.00 66.00 65.89 3fa3 h PRO 240 Cb 0.84 -0.13 -0.22 0.00 0.11 0.00 0.00 31.00 31.59 3fa3 h PRO 240 CO 0.55 0.39 0.47 1.19 -0.21 0.00 0.00 178.00 180.39 3fa3 n PHE 241 N -4.88 2.53 -0.04 0.65 3.72 -1.26 -4.32 117.46 113.87 3fa3 n PHE 241 Ca 0.24 -1.49 -0.00 0.00 -0.05 0.00 0.00 57.45 56.14 3fa3 n PHE 241 Cb 0.64 -0.79 0.29 0.00 -0.94 0.00 0.00 39.48 38.68 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fa3 h ALA 242 N 1.59 1.39 0.02 4.37 0.00 -1.55 -1.79 119.26 123.29 3fa3 h ALA 242 Ca 0.46 -0.17 -0.37 0.00 0.00 0.00 0.00 54.91 54.83 3fa3 h ALA 242 Cb 2.49 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 20.05 3fa3 h ALA 242 CO 0.87 0.44 -2.27 0.00 0.00 0.00 0.00 179.25 178.29 3fa3 n ALA 243 N -2.47 1.38 0.10 0.00 0.00 -1.14 -4.60 120.51 113.78 3fa3 n ALA 243 Ca 0.02 -1.06 -0.21 0.00 0.00 0.00 0.00 53.44 52.20 3fa3 n ALA 243 Cb 0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.21 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 0.01 0.76 0.55 0.00 5.85 -1.80 -1.69 115.31 118.99 3fa3 h LEU 244 Ca -0.51 -0.73 -0.03 0.00 0.84 0.00 0.00 57.88 57.46 3fa3 h LEU 244 Cb 2.06 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 42.85 3fa3 h LEU 244 CO 0.00 1.54 -0.26 1.23 -0.34 0.00 0.00 178.44 180.61 3fa3 h GLY 245 N 0.60 -0.77 0.33 3.75 0.00 -1.59 -1.72 103.07 103.67 3fa3 h GLY 245 Ca -0.18 0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.55 3fa3 h GLY 245 CO 0.23 -0.28 0.31 -2.55 0.00 0.00 0.00 176.54 174.25 3fa3 h PRO 246 N -0.74 0.49 -0.68 4.80 0.11 -1.79 -0.59 132.00 133.59 3fa3 h PRO 246 Ca -0.08 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.11 3fa3 h PRO 246 Cb 0.57 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.49 3fa3 h PRO 246 CO 0.12 0.32 0.29 0.00 -0.21 0.00 0.00 178.00 178.52 3fa3 h ALA 247 N 1.47 0.93 0.02 -0.75 0.00 -1.17 -0.60 119.26 119.15 3fa3 h ALA 247 Ca 0.37 0.08 -0.27 0.00 0.00 0.00 0.00 54.91 55.09 3fa3 h ALA 247 Cb 0.47 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.31 3fa3 h ALA 247 CO -0.33 -0.15 -1.07 0.28 0.00 0.00 0.00 179.25 177.98 3fa3 h VAL 248 N 0.48 1.29 0.30 0.00 2.07 -0.21 -2.40 116.25 117.77 3fa3 h VAL 248 Ca 0.35 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 3fa3 h VAL 248 Cb 0.45 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3fa3 h VAL 248 CO -0.32 0.71 -0.14 0.00 0.02 0.00 0.00 177.57 177.83 3fa3 h ALA 249 N 0.41 -0.40 -0.95 1.67 0.00 -0.97 -2.39 119.26 116.64 3fa3 h ALA 249 Ca -0.14 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 249 Cb 1.72 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 19.53 3fa3 h ALA 249 CO 0.21 -0.61 0.46 0.00 0.00 0.00 0.00 179.25 179.31 3fa3 h ALA 250 N -0.01 1.62 0.15 0.00 0.00 -1.14 -2.32 119.26 117.57 3fa3 h ALA 250 Ca -0.04 0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 3fa3 h ALA 250 Cb 0.45 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3fa3 h ALA 250 CO 0.07 -0.41 -1.29 0.52 0.00 0.00 0.00 179.25 178.14 3fa3 h MET 251 N 0.38 0.34 -0.39 0.00 2.86 -1.25 0.30 114.93 117.18 3fa3 h MET 251 Ca 0.62 -0.57 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3fa3 h MET 251 Cb 1.27 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 3fa3 h MET 251 CO -0.56 1.27 0.09 0.00 1.06 0.00 0.00 176.91 178.77 3fa3 h ARG 252 N 0.10 0.62 -0.09 1.72 3.08 -1.14 0.41 114.38 119.08 3fa3 h ARG 252 Ca -0.16 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3fa3 h ARG 252 Cb 2.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 3fa3 h ARG 252 CO 0.22 0.65 0.05 1.49 -1.07 0.00 0.00 179.97 181.32 3fa3 h GLU 253 N 0.48 0.12 -0.98 0.04 4.57 -1.46 -2.72 114.58 114.64 3fa3 h GLU 253 Ca 0.12 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3fa3 h GLU 253 Cb 0.31 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 3fa3 h GLU 253 CO 0.00 0.11 0.64 0.00 -1.18 0.00 0.00 179.01 178.58 3fa3 h ALA 254 N 1.00 1.40 -0.72 2.92 0.00 -0.50 -0.60 119.26 122.75 3fa3 h ALA 254 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 254 Cb 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3fa3 h ALA 254 CO -0.01 0.48 0.48 0.52 0.00 0.00 0.00 179.25 180.72 3fa3 h MET 255 N 1.19 0.80 0.14 0.00 2.86 0.06 -1.97 114.93 118.01 3fa3 h MET 255 Ca 0.40 -0.05 -0.29 0.00 -2.06 0.00 0.00 59.70 57.71 3fa3 h MET 255 Cb 0.09 -0.18 0.02 0.00 0.06 0.00 0.00 31.60 31.58 3fa3 h MET 255 CO -0.14 0.53 -1.25 0.93 1.06 0.00 0.00 176.91 178.04 3fa3 h GLU 256 N 0.83 0.43 0.00 1.72 4.39 -0.84 -2.76 114.58 118.35 3fa3 h GLU 256 Ca 0.30 -0.64 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 3fa3 h GLU 256 Cb 0.14 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3fa3 h GLU 256 CO -0.09 1.28 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.70 3fa3 h LYS 257 N 0.16 0.00 0.04 2.33 3.64 -1.37 -1.57 116.57 119.80 3fa3 h LYS 257 Ca -0.16 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.96 3fa3 h LYS 257 Cb 1.94 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.78 3fa3 h LYS 257 CO 0.22 0.13 -1.07 1.25 -2.27 0.00 0.00 179.45 177.70 3fa3 h LEU 258 N 0.00 0.69 -0.45 5.20 5.85 -1.07 -1.43 115.31 124.10 3fa3 h LEU 258 Ca -0.00 -0.59 -0.12 0.00 0.84 0.00 0.00 57.88 58.01 3fa3 h LEU 258 Cb 0.28 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3fa3 h LEU 258 CO 0.02 1.40 -0.58 0.07 -0.34 0.00 0.00 178.44 179.01 3fa3 h LYS 259 N 0.26 0.00 -0.41 1.25 2.10 -1.39 0.85 116.57 119.22 3fa3 h LYS 259 Ca -0.12 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.43 3fa3 h LYS 259 Cb 1.73 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.05 3fa3 h LYS 259 CO 0.20 0.58 -0.13 0.00 -2.00 0.00 0.00 179.45 178.09 3fa3 h ARG 260 N 0.00 0.82 0.00 0.07 3.08 -1.29 -3.34 114.38 113.71 3fa3 h ARG 260 Ca -0.01 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3fa3 h ARG 260 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3fa3 h ARG 260 CO 0.07 0.95 -1.01 -0.25 -1.07 0.00 0.00 179.97 178.66 3fa3 n ASP 261 N -4.29 1.10 -1.56 7.04 8.00 -0.54 -4.98 116.55 121.32 3fa3 n ASP 261 Ca -0.01 -0.50 -0.19 0.00 0.71 0.00 0.00 54.79 54.79 3fa3 n ASP 261 Cb 0.39 1.24 -0.07 0.00 -0.02 0.00 0.00 41.12 42.65 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 262 N 1.47 1.60 3.59 0.44 0.00 0.29 -4.93 105.19 107.64 3fa3 n GLY 262 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.74 0.00 0.15 -0.61 2.07 -1.21 -5.02 121.20 113.83 3fa3 s ILE 263 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 3fa3 s ILE 263 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 3fa3 s ILE 263 CO 0.00 0.00 1.58 -0.65 -1.91 0.00 0.00 174.94 173.96 3fa3 h PRO 264 N 3.26 0.90 -0.48 3.50 0.11 -1.88 -3.41 132.00 134.00 3fa3 h PRO 264 Ca -0.23 -0.31 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3fa3 h PRO 264 Cb 1.16 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fa3 h PRO 264 CO 0.25 0.96 -0.09 0.41 -0.21 0.00 0.00 178.00 179.32 3fa3 n GLY 265 N -0.31 0.25 3.53 -0.55 0.00 -1.26 -4.83 105.19 102.02 3fa3 n GLY 265 Ca 0.01 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.49 1.77 -4.92 0.99 4.77 -1.26 -4.97 117.00 112.88 3fa3 n LEU 266 Ca -0.04 0.51 -0.26 0.00 -0.03 0.00 0.00 56.01 56.19 3fa3 n LEU 266 Cb 0.51 -1.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.30 3fa3 n LEU 266 CO 0.05 -2.77 0.41 1.51 -1.33 0.00 0.00 177.39 175.26 3fa3 s ASP 267 N -1.86 5.94 0.61 -1.43 -4.77 -1.26 -4.92 116.67 108.99 3fa3 s ASP 267 Ca 0.66 0.67 0.28 0.00 -3.30 0.00 0.00 52.55 50.85 3fa3 s ASP 267 Cb -0.29 -1.88 1.38 0.00 -1.09 0.00 0.00 42.92 41.04 3fa3 s ASP 267 CO 0.58 -0.74 1.79 0.07 0.70 0.00 0.00 175.17 177.57 3fa3 h LYS 268 N 0.18 0.00 0.00 2.11 -0.00 -2.03 0.93 116.57 117.76 3fa3 h LYS 268 Ca -0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.07 3fa3 h LYS 268 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.45 3fa3 h LYS 268 CO 0.60 0.00 -0.57 1.05 -0.00 0.00 0.00 179.45 180.54 3fa3 h GLU 269 N 0.00 0.00 -2.64 0.07 4.11 -2.03 -3.35 114.58 110.74 3fa3 h GLU 269 Ca 0.20 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 59.00 3fa3 h GLU 269 Cb 1.34 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 3fa3 h GLU 269 CO -0.00 0.57 2.48 -1.33 0.07 0.00 0.00 179.01 180.79 3fa3 n MET 270 N -3.47 3.76 -0.92 1.06 2.81 0.32 -4.67 117.12 116.02 3fa3 n MET 270 Ca 0.00 -2.61 -0.30 0.00 -1.81 0.00 0.00 57.70 52.99 3fa3 n MET 270 Cb 0.67 -2.58 0.17 0.00 -0.71 0.00 0.00 33.22 30.76 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa3 s THR 271 N 0.23 2.41 0.19 2.03 -4.23 -1.26 -4.87 115.64 110.14 3fa3 s THR 271 Ca 0.62 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.14 3fa3 s THR 271 Cb 0.22 -2.40 0.09 0.00 1.34 0.00 0.00 72.50 71.75 3fa3 s THR 271 CO -0.09 -0.17 1.76 -0.65 -0.54 0.00 0.00 174.62 174.93 3fa3 h PRO 272 N -1.85 0.40 -0.38 3.99 0.11 -1.98 -2.78 132.00 129.51 3fa3 h PRO 272 Ca -0.50 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.66 3fa3 h PRO 272 Cb 1.29 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 3fa3 h PRO 272 CO 0.50 0.26 -0.04 1.96 -0.21 0.00 0.00 178.00 180.47 3fa3 h GLN 273 N 0.41 0.05 -0.66 1.05 7.50 -1.94 0.15 115.11 121.67 3fa3 h GLN 273 Ca 0.24 -0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.50 3fa3 h GLN 273 Cb 0.23 -0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.66 3fa3 h GLN 273 CO -0.22 0.03 0.24 1.98 -1.50 0.00 0.00 178.83 179.36 3fa3 h MET 274 N 0.05 0.39 -0.23 1.46 4.05 -1.80 0.25 114.93 119.11 3fa3 h MET 274 Ca 0.19 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.45 3fa3 h MET 274 Cb 0.28 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 3fa3 h MET 274 CO -0.35 0.26 -0.41 -0.07 0.23 0.00 0.00 176.91 176.57 3fa3 h LEU 275 N 0.40 0.56 -0.53 3.39 4.07 -1.06 -1.90 115.31 120.24 3fa3 h LEU 275 Ca 0.34 -0.25 -0.15 0.00 0.08 0.00 0.00 57.88 57.91 3fa3 h LEU 275 Cb 0.47 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 3fa3 h LEU 275 CO -0.36 0.90 -0.44 -0.26 -1.08 0.00 0.00 178.44 177.21 3fa3 h PHE 276 N 0.44 0.84 -0.56 1.13 0.05 -0.06 -2.96 116.94 115.83 3fa3 h PHE 276 Ca 0.04 -0.26 0.02 0.00 3.82 0.00 0.00 57.97 61.59 3fa3 h PHE 276 Cb 0.90 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.64 3fa3 h PHE 276 CO 0.03 1.01 0.34 0.00 -0.18 0.00 0.00 178.31 179.52 3fa3 h ARG 277 N 0.56 0.67 -0.76 1.51 3.08 -0.39 0.49 114.38 119.54 3fa3 h ARG 277 Ca 0.04 -0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.27 3fa3 h ARG 277 Cb 0.99 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3fa3 h ARG 277 CO 0.09 0.44 0.86 0.28 -1.07 0.00 0.00 179.97 180.57 3fa3 h VAL 278 N 0.69 0.17 -0.42 2.04 2.07 -1.18 0.21 116.25 119.81 3fa3 h VAL 278 Ca 0.22 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.47 3fa3 h VAL 278 Cb -0.01 0.31 -0.18 0.00 -1.52 0.00 0.00 31.29 29.89 3fa3 h VAL 278 CO -0.08 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.23 3fa3 n GLY 280 N -1.01 0.32 0.37 0.00 0.00 0.06 -4.95 105.19 99.98 3fa3 n GLY 280 Ca 0.35 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 0.44 0.00 0.99 5.85 -1.56 0.28 115.31 121.31 3fa3 h LEU 281 Ca -0.09 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.44 3fa3 h LEU 281 Cb 0.88 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3fa3 h LEU 281 CO 0.11 0.24 -1.01 0.44 -0.34 0.00 0.00 178.44 177.89 3fa3 h ASP 282 N 0.48 0.00 -0.25 1.25 3.32 -1.87 -1.54 116.42 117.80 3fa3 h ASP 282 Ca 0.35 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.22 3fa3 h ASP 282 Cb 0.71 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3fa3 h ASP 282 CO -0.12 1.00 -0.55 -0.08 -1.72 0.00 0.00 179.24 177.78 3fa3 h GLU 283 N 0.00 0.82 -0.61 3.56 4.57 -1.80 -0.84 114.58 120.28 3fa3 h GLU 283 Ca -0.01 -0.54 -0.03 0.00 -1.18 0.00 0.00 59.36 57.59 3fa3 h GLU 283 Cb 1.77 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.41 3fa3 h GLU 283 CO 0.13 1.17 0.25 0.77 -1.18 0.00 0.00 179.01 180.15 3fa3 h SER 284 N 0.58 0.84 0.61 1.04 0.02 -0.99 -1.50 113.55 114.15 3fa3 h SER 284 Ca 0.00 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3fa3 h SER 284 Cb 1.16 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3fa3 h SER 284 CO 0.12 0.77 -0.33 0.24 -1.14 0.00 0.00 176.83 176.49 3fa3 h MET 285 N 0.85 0.00 -0.05 3.45 2.86 -1.17 -2.88 114.93 117.99 3fa3 h MET 285 Ca 0.20 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.69 3fa3 h MET 285 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3fa3 h MET 285 CO -0.02 0.33 -0.67 -0.22 1.06 0.00 0.00 176.91 177.40 3fa3 h LYS 286 N 0.00 0.21 -0.26 1.72 1.63 -0.18 -2.08 116.57 117.61 3fa3 h LYS 286 Ca -0.00 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 3fa3 h LYS 286 Cb 0.73 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 3fa3 h LYS 286 CO 0.04 0.80 -0.07 0.28 -3.45 0.00 0.00 179.45 177.05 3fa3 h VAL 287 N 0.15 1.28 0.00 2.00 2.07 -1.13 -0.53 116.25 120.09 3fa3 h VAL 287 Ca -0.01 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 3fa3 h VAL 287 Cb 1.20 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3fa3 h VAL 287 CO 0.10 0.34 -0.13 -0.78 0.02 0.00 0.00 177.57 177.13 3fa3 h ASP 288 N 0.25 0.00 0.09 0.57 1.82 -1.49 -2.16 116.42 115.50 3fa3 h ASP 288 Ca 0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3fa3 h ASP 288 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 3fa3 h ASP 288 CO 0.03 0.13 -0.04 0.00 -1.61 0.00 0.00 179.24 177.74 3fa3 h ALA 289 N 1.87 -0.12 -0.74 -0.78 0.00 -0.78 -1.81 119.26 116.90 3fa3 h ALA 289 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3fa3 h ALA 289 Cb 0.26 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3fa3 h ALA 289 CO 0.02 -0.19 0.45 1.96 0.00 0.00 0.00 179.25 181.49 3fa3 h GLN 290 N -0.87 0.82 0.00 0.00 4.20 -1.11 -0.70 115.11 117.45 3fa3 h GLN 290 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3fa3 h GLN 290 Cb 0.58 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3fa3 h GLN 290 CO 0.02 0.54 0.03 0.00 -0.67 0.00 0.00 178.83 178.75 3fa3 n ALA 291 N -2.34 0.98 0.00 3.87 0.00 -0.81 -4.82 120.51 117.39 3fa3 n ALA 291 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fa3 n ALA 291 Cb 0.14 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.37 0.59 3.45 0.00 0.00 -0.27 -5.08 105.19 102.51 3fa3 n GLY 292 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3fa3 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 293 N -2.00 -1.76 1.71 -0.02 0.00 -0.69 -4.97 105.19 97.46 3fa3 n GLY 293 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.24 3fa3 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 294 N -4.10 2.49 0.29 4.61 0.00 -1.26 -4.43 120.51 118.11 3fa3 n ALA 294 Ca 0.06 -2.49 0.16 0.00 0.00 0.00 0.00 53.44 51.17 3fa3 n ALA 294 Cb 0.55 -0.74 0.86 0.00 0.00 0.00 0.00 19.45 20.12 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 1.31 1.25 0.00 0.00 0.00 -1.93 -3.26 119.26 116.62 3fa3 h ALA 295 Ca -0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3fa3 h ALA 295 Cb 1.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3fa3 h ALA 295 CO 0.12 0.08 -0.28 1.19 0.00 0.00 0.00 179.25 180.35 3fa3 n PHE 296 N -3.52 0.00 -3.78 0.00 3.01 -1.26 -4.99 117.46 106.92 3fa3 n PHE 296 Ca -0.02 -1.17 -0.26 0.00 1.01 0.00 0.00 57.45 57.00 3fa3 n PHE 296 Cb 0.18 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 3fa3 n PHE 296 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3fa3 s ASP 297 N -2.95 6.36 -0.92 4.37 -4.77 -1.23 -1.19 116.67 116.34 3fa3 s ASP 297 Ca 0.34 0.30 -0.14 0.00 -3.30 0.00 0.00 52.55 49.74 3fa3 s ASP 297 Cb 0.31 -1.97 0.20 0.00 -1.09 0.00 0.00 42.92 40.38 3fa3 s ASP 297 CO -0.02 -0.03 0.94 -0.83 0.70 0.00 0.00 175.17 175.93 3fa3 s GLY 298 N -3.32 2.55 0.00 2.12 0.00 -1.26 -4.97 107.32 102.44 3fa3 s GLY 298 Ca 0.37 -3.27 0.00 0.00 0.00 0.00 0.00 44.72 41.82 3fa3 s GLY 298 CO 0.29 1.50 0.00 0.61 0.00 0.00 0.00 173.10 175.50 3fa3 n GLY 299 N 4.17 -2.18 1.26 0.20 0.00 -0.34 -4.81 105.19 103.50 3fa3 n GLY 299 Ca 0.19 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.50 0.00 -4.87 1.61 3.14 -1.26 -4.94 118.33 111.51 3fa3 n VAL 300 Ca 0.00 -0.59 -0.33 0.00 -2.96 0.00 0.00 64.34 60.46 3fa3 n VAL 300 Cb 0.00 0.78 -0.13 0.00 -1.06 0.00 0.00 33.84 33.44 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 -1.57 4.07 0.00 6.55 -0.00 -1.26 -5.00 116.67 119.46 3fa3 s ASP 301 Ca 0.20 -0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.56 3fa3 s ASP 301 Cb 0.23 -0.93 0.00 0.00 -0.00 0.00 0.00 42.92 42.22 3fa3 s ASP 301 CO -0.10 0.33 0.00 0.18 -0.00 0.00 0.00 175.17 175.58