#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 2.07 1.04 0.54 0.23 -1.26 -5.11 119.30 116.81 3fa3 s MET 3 Ca 0.00 -1.66 -0.16 0.00 -1.03 0.00 0.00 55.69 52.84 3fa3 s MET 3 Cb 0.00 -3.43 0.21 0.00 -1.53 0.00 0.00 34.83 30.08 3fa3 s MET 3 CO 0.00 -0.93 1.16 0.54 -2.03 0.00 0.00 175.02 173.76 3fa3 s VAL 4 N 1.15 1.86 -0.02 5.16 0.11 -1.26 -5.09 120.40 122.31 3fa3 s VAL 4 Ca 0.05 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 3fa3 s VAL 4 Cb -0.21 -2.67 0.04 0.00 -1.53 0.00 0.00 36.38 32.01 3fa3 s VAL 4 CO -0.04 0.00 0.47 0.28 -3.33 0.00 0.00 175.10 172.48 3fa3 s THR 5 N -3.26 0.03 0.05 5.04 -1.32 -1.26 -5.06 115.64 109.86 3fa3 s THR 5 Ca 0.69 -0.29 0.31 0.00 -1.21 0.00 0.00 61.69 61.19 3fa3 s THR 5 Cb -0.11 -0.81 0.37 0.00 -1.51 0.00 0.00 72.50 70.43 3fa3 s THR 5 CO 0.55 -0.16 1.93 0.00 -2.21 0.00 0.00 174.62 174.73 3fa3 h ALA 6 N 3.39 1.00 -0.85 11.08 0.00 -1.78 -2.57 119.26 129.54 3fa3 h ALA 6 Ca -0.29 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 54.81 3fa3 h ALA 6 Cb 1.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3fa3 h ALA 6 CO 0.40 0.04 0.59 0.00 0.00 0.00 0.00 179.25 180.28 3fa3 h ALA 7 N 1.97 2.53 0.04 0.00 0.00 -1.78 -2.72 119.26 119.29 3fa3 h ALA 7 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 7 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fa3 h ALA 7 CO 0.00 -0.78 -0.02 1.15 0.00 0.00 0.00 179.25 179.60 3fa3 h THR 8 N 0.17 0.86 -0.33 0.00 2.02 -1.70 -3.10 112.91 110.83 3fa3 h THR 8 Ca 0.42 -1.53 -0.09 0.00 0.77 0.00 0.00 66.41 65.98 3fa3 h THR 8 Cb 1.39 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 3fa3 h THR 8 CO -0.08 0.28 -0.18 0.77 0.37 0.00 0.00 175.52 176.68 3fa3 h SER 9 N -0.97 0.60 -0.67 4.18 4.64 -1.68 1.12 113.55 120.77 3fa3 h SER 9 Ca -0.01 -0.19 0.18 0.00 -0.47 0.00 0.00 61.79 61.30 3fa3 h SER 9 Cb 0.50 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3fa3 h SER 9 CO 0.01 0.80 0.47 0.25 -0.87 0.00 0.00 176.83 177.49 3fa3 h LEU 10 N 0.55 0.08 0.12 5.97 5.85 -1.63 -2.74 115.31 123.52 3fa3 h LEU 10 Ca 0.09 0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.54 3fa3 h LEU 10 Cb 0.62 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3fa3 h LEU 10 CO 0.04 0.04 -1.37 -0.09 -0.34 0.00 0.00 178.44 176.73 3fa3 h ARG 11 N 0.09 0.26 -0.96 1.25 2.43 0.13 -2.25 114.38 115.33 3fa3 h ARG 11 Ca 0.32 -0.44 0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3fa3 h ARG 11 Cb 1.15 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.73 3fa3 h ARG 11 CO -0.03 1.21 -0.51 -0.09 -1.51 0.00 0.00 179.97 179.04 3fa3 h ARG 12 N -0.29 -0.02 -0.58 0.20 2.43 -1.11 -1.87 114.38 113.14 3fa3 h ARG 12 Ca -0.29 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3fa3 h ARG 12 Cb 1.77 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 31.21 3fa3 h ARG 12 CO 0.08 -0.01 -0.14 0.00 -1.51 0.00 0.00 179.97 178.38 3fa3 h ALA 13 N 0.82 0.38 -0.83 2.80 0.00 -1.41 -1.83 119.26 119.19 3fa3 h ALA 13 Ca 0.23 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.45 3fa3 h ALA 13 Cb 0.49 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3fa3 h ALA 13 CO -0.94 -0.43 0.49 -0.07 0.00 0.00 0.00 179.25 178.30 3fa3 h LEU 14 N 0.00 0.73 0.00 0.00 3.38 -0.71 -1.54 115.31 117.17 3fa3 h LEU 14 Ca 0.28 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3fa3 h LEU 14 Cb 0.42 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3fa3 h LEU 14 CO -0.60 0.43 -0.16 -0.33 0.09 0.00 0.00 178.44 177.88 3fa3 h GLU 15 N 0.85 0.00 -6.06 1.13 3.07 -1.34 -3.42 114.58 108.81 3fa3 h GLU 15 Ca 0.39 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.69 3fa3 h GLU 15 Cb 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3fa3 h GLU 15 CO -0.22 0.07 1.41 1.21 -1.40 0.00 0.00 179.01 180.08 3fa3 s ASN 16 N -6.18 5.49 0.61 1.42 3.84 -0.58 -4.88 114.94 114.68 3fa3 s ASN 16 Ca 0.06 1.42 0.33 0.00 0.21 0.00 0.00 52.86 54.88 3fa3 s ASN 16 Cb 0.06 -2.52 1.92 0.00 -0.55 0.00 0.00 41.25 40.16 3fa3 s ASN 16 CO 0.69 -2.00 2.23 1.55 -2.79 0.00 0.00 177.10 176.77 3fa3 h PRO 17 N 14.71 0.00 0.12 0.43 0.13 -1.81 -3.12 132.00 142.46 3fa3 h PRO 17 Ca -0.35 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.46 3fa3 h PRO 17 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3fa3 h PRO 17 CO 1.03 0.00 -1.70 -0.44 -0.23 0.00 0.00 178.00 176.67 3fa3 h ASP 18 N 0.00 0.40 -4.00 1.44 3.32 -1.89 -3.49 116.42 112.20 3fa3 h ASP 18 Ca 0.02 -0.88 -0.52 0.00 0.02 0.00 0.00 57.03 55.67 3fa3 h ASP 18 Cb 0.17 -0.13 0.09 0.00 0.22 0.00 0.00 39.33 39.67 3fa3 h ASP 18 CO -0.00 1.74 0.55 -0.94 -1.72 0.00 0.00 179.24 178.87 3fa3 s SER 19 N -7.07 5.95 -0.03 6.45 1.04 -1.18 -5.03 113.70 113.82 3fa3 s SER 19 Ca -0.21 2.53 -0.01 0.00 0.48 0.00 0.00 55.95 58.73 3fa3 s SER 19 Cb 0.06 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.58 3fa3 s SER 19 CO 0.77 -1.09 0.06 0.12 0.98 0.00 0.00 173.24 174.08 3fa3 s PHE 20 N -1.40 -0.04 -0.22 5.02 5.36 -1.26 -4.94 117.98 120.49 3fa3 s PHE 20 Ca 0.64 0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 56.80 3fa3 s PHE 20 Cb -0.34 -0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 3fa3 s PHE 20 CO 0.42 -0.09 -0.06 0.42 -1.46 0.00 0.00 175.22 174.44 3fa3 s ILE 21 N 0.82 3.10 -0.39 3.12 1.01 -0.84 -5.03 121.20 123.00 3fa3 s ILE 21 Ca -0.07 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3fa3 s ILE 21 Cb -0.09 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 39.99 3fa3 s ILE 21 CO -0.03 0.37 0.21 -0.69 0.00 0.00 0.00 174.94 174.80 3fa3 s VAL 22 N 1.42 4.18 -0.36 2.92 1.01 -1.26 -1.05 120.40 127.26 3fa3 s VAL 22 Ca 0.04 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.84 3fa3 s VAL 22 Cb -0.15 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 32.87 3fa3 s VAL 22 CO -0.05 -0.37 0.08 0.00 0.00 0.00 0.00 175.10 174.76 3fa3 s ALA 23 N 1.44 2.86 0.29 5.51 0.00 -0.55 -4.18 121.76 127.13 3fa3 s ALA 23 Ca 0.02 -2.57 -0.29 0.00 0.00 0.00 0.00 51.96 49.12 3fa3 s ALA 23 Cb -0.21 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 20.84 3fa3 s ALA 23 CO 0.03 -1.72 1.16 -1.25 0.00 0.00 0.00 175.76 173.97 3fa3 s PRO 24 N 0.82 4.56 -0.21 0.00 0.04 -1.25 -2.89 135.00 136.07 3fa3 s PRO 24 Ca 0.12 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 3fa3 s PRO 24 Cb -0.20 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3fa3 s PRO 24 CO -0.08 0.09 1.34 0.20 0.04 0.00 0.00 177.00 178.60 3fa3 s GLY 25 N -0.72 1.50 0.40 0.56 0.00 0.27 -1.36 107.32 107.98 3fa3 s GLY 25 Ca 0.46 0.38 0.08 0.00 0.00 0.00 0.00 44.72 45.63 3fa3 s GLY 25 CO 0.44 2.63 0.21 -1.34 0.00 0.00 0.00 173.10 175.03 3fa3 s VAL 26 N 4.02 2.46 0.00 1.40 -7.23 0.29 -3.23 120.40 118.11 3fa3 s VAL 26 Ca 0.58 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3fa3 s VAL 26 Cb -0.21 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.74 3fa3 s VAL 26 CO 0.20 -0.03 0.00 0.00 -0.31 0.00 0.00 175.10 174.97 3fa3 n TYR 27 N -1.27 0.00 -3.84 2.82 4.11 -1.26 -0.73 117.16 116.99 3fa3 n TYR 27 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.89 3fa3 n TYR 27 Cb 0.64 0.01 0.01 0.00 -0.00 0.00 0.00 39.34 39.99 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 -0.95 -0.18 9.48 5.75 -1.26 -4.53 116.55 124.86 3fa3 n ASP 28 Ca 0.00 -1.38 -0.01 0.00 -0.01 0.00 0.00 54.79 53.39 3fa3 n ASP 28 Cb 0.17 1.51 0.07 0.00 -1.03 0.00 0.00 41.12 41.84 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 1.27 0.51 0.79 6.12 0.00 -1.96 -0.11 103.07 109.69 3fa3 h GLY 29 Ca -0.16 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3fa3 h GLY 29 CO 0.22 -0.18 -0.18 1.41 0.00 0.00 0.00 176.54 177.80 3fa3 h LEU 30 N 0.07 -0.43 -1.31 3.11 3.38 -1.98 -0.64 115.31 117.50 3fa3 h LEU 30 Ca 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3fa3 h LEU 30 Cb 0.43 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3fa3 h LEU 30 CO -0.50 -0.15 0.34 0.77 0.09 0.00 0.00 178.44 178.99 3fa3 h SER 31 N -0.73 0.71 -0.31 -0.43 4.64 -1.93 -1.46 113.55 114.04 3fa3 h SER 31 Ca -0.05 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 3fa3 h SER 31 Cb 0.51 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3fa3 h SER 31 CO 0.09 0.57 0.13 0.00 -0.87 0.00 0.00 176.83 176.75 3fa3 h ALA 32 N 1.55 0.41 -0.09 5.18 0.00 -0.90 -0.48 119.26 124.93 3fa3 h ALA 32 Ca 0.21 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3fa3 h ALA 32 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3fa3 h ALA 32 CO -0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.06 3fa3 h ARG 33 N 0.36 -0.20 0.05 0.00 2.47 -0.10 -2.24 114.38 114.72 3fa3 h ARG 33 Ca 0.11 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3fa3 h ARG 33 Cb 0.17 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 3fa3 h ARG 33 CO -0.01 -0.13 -0.14 0.28 0.56 0.00 0.00 179.97 180.53 3fa3 h VAL 34 N -0.21 0.66 -1.00 2.04 2.07 -1.40 -1.17 116.25 117.26 3fa3 h VAL 34 Ca 0.08 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.82 3fa3 h VAL 34 Cb 0.32 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 3fa3 h VAL 34 CO -0.21 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.00 3fa3 h ALA 35 N 0.64 1.91 0.03 1.67 0.00 -0.99 -0.42 119.26 122.10 3fa3 h ALA 35 Ca 0.03 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 35 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3fa3 h ALA 35 CO -0.10 -0.29 -0.98 -0.07 0.00 0.00 0.00 179.25 177.80 3fa3 h LEU 36 N 0.59 0.17 -0.77 0.00 4.07 -0.99 -2.73 115.31 115.66 3fa3 h LEU 36 Ca 0.58 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 58.31 3fa3 h LEU 36 Cb 1.14 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 3fa3 h LEU 36 CO -0.34 1.05 0.26 0.28 -1.08 0.00 0.00 178.44 178.61 3fa3 h SER 37 N 0.05 1.10 -0.64 -0.43 0.02 -0.77 -2.97 113.55 109.91 3fa3 h SER 37 Ca -0.05 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 3fa3 h SER 37 Cb 1.68 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 3fa3 h SER 37 CO 0.14 1.01 0.42 0.00 -1.14 0.00 0.00 176.83 177.26 3fa3 h ALA 38 N 1.14 1.69 0.00 3.77 0.00 -0.79 -3.46 119.26 121.61 3fa3 h ALA 38 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fa3 h ALA 38 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fa3 h ALA 38 CO -0.01 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3fa3 n GLY 39 N -1.46 1.06 3.75 0.00 0.00 -1.09 -5.11 105.19 102.34 3fa3 n GLY 39 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.74 0.13 1.61 3.01 -1.19 -4.92 117.46 118.84 3fa3 n PHE 40 Ca 0.00 0.48 0.09 0.00 1.01 0.00 0.00 57.45 59.03 3fa3 n PHE 40 Cb 0.00 -2.49 0.26 0.00 -0.01 0.00 0.00 39.48 37.24 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 0.50 3.20 -3.59 4.37 8.00 -1.26 -4.85 116.55 122.92 3fa3 n ASP 41 Ca 0.03 -2.08 -0.10 0.00 0.71 0.00 0.00 54.79 53.35 3fa3 n ASP 41 Cb 0.38 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.36 -1.94 0.22 2.24 0.00 -1.26 -4.08 121.76 115.58 3fa3 s ALA 42 Ca 0.38 1.66 0.09 0.00 0.00 0.00 0.00 51.96 54.09 3fa3 s ALA 42 Cb 0.21 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3fa3 s ALA 42 CO 0.24 -0.29 -0.16 -0.51 0.00 0.00 0.00 175.76 175.04 3fa3 s LEU 43 N -0.72 2.55 -0.06 0.00 1.43 -1.00 -3.83 118.68 117.06 3fa3 s LEU 43 Ca -0.01 -1.01 0.06 0.00 -1.03 0.00 0.00 54.13 52.14 3fa3 s LEU 43 Cb -0.02 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 3fa3 s LEU 43 CO -0.00 -0.12 -0.25 -0.47 0.23 0.00 0.00 176.35 175.74 3fa3 s TYR 44 N -2.79 2.44 -0.45 0.29 5.04 -0.46 -2.23 117.35 119.19 3fa3 s TYR 44 Ca 0.23 -0.75 -0.19 0.00 -2.44 0.00 0.00 57.07 53.92 3fa3 s TYR 44 Cb -0.02 -1.60 0.03 0.00 0.35 0.00 0.00 41.96 40.72 3fa3 s TYR 44 CO 0.08 -0.24 0.58 1.41 -1.34 0.00 0.00 175.55 176.05 3fa3 s MET 45 N -0.12 3.19 -0.14 4.97 -2.45 -0.25 0.10 119.30 124.61 3fa3 s MET 45 Ca -0.05 -0.60 -0.29 0.00 -1.25 0.00 0.00 55.69 53.49 3fa3 s MET 45 Cb -0.14 -3.99 -0.03 0.00 1.25 0.00 0.00 34.83 31.92 3fa3 s MET 45 CO 0.04 -1.02 1.48 -0.08 1.05 0.00 0.00 175.02 176.49 3fa3 s THR 46 N 2.59 3.90 0.34 10.11 -1.32 0.09 -2.89 115.64 128.47 3fa3 s THR 46 Ca 0.18 1.08 0.05 0.00 -1.21 0.00 0.00 61.69 61.79 3fa3 s THR 46 Cb -0.16 -3.74 0.30 0.00 -1.51 0.00 0.00 72.50 67.38 3fa3 s THR 46 CO 0.16 -0.15 1.91 1.23 -2.21 0.00 0.00 174.62 175.55 3fa3 h GLY 47 N 10.30 1.19 1.44 6.08 0.00 -1.93 -1.89 103.07 118.26 3fa3 h GLY 47 Ca -0.33 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3fa3 h GLY 47 CO 0.97 0.20 -0.34 0.00 0.00 0.00 0.00 176.54 177.37 3fa3 h ALA 48 N 1.57 0.88 0.00 3.60 0.00 -1.97 -1.44 119.26 121.89 3fa3 h ALA 48 Ca 0.39 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3fa3 h ALA 48 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3fa3 h ALA 48 CO -0.16 0.63 -0.65 0.78 0.00 0.00 0.00 179.25 179.85 3fa3 h GLY 49 N 1.01 0.00 1.27 0.00 0.00 -1.84 0.11 103.07 103.61 3fa3 h GLY 49 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 3fa3 h GLY 49 CO 0.07 0.00 -0.07 -0.84 0.00 0.00 0.00 176.54 175.70 3fa3 h THR 50 N 0.00 1.26 -0.23 4.70 2.02 -1.15 0.60 112.91 120.10 3fa3 h THR 50 Ca -0.03 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 65.92 3fa3 h THR 50 Cb 1.41 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3fa3 h THR 50 CO 0.06 0.40 -0.19 0.00 0.37 0.00 0.00 175.52 176.16 3fa3 h ALA 51 N 1.12 1.25 0.01 6.16 0.00 -0.67 -2.53 119.26 124.60 3fa3 h ALA 51 Ca 0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3fa3 h ALA 51 Cb 0.58 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fa3 h ALA 51 CO 0.04 0.49 -0.49 0.00 0.00 0.00 0.00 179.25 179.29 3fa3 h ALA 52 N 1.43 0.04 0.00 0.00 0.00 -0.30 -0.82 119.26 119.61 3fa3 h ALA 52 Ca 0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3fa3 h ALA 52 Cb 0.55 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fa3 h ALA 52 CO 0.04 0.26 -0.07 1.03 0.00 0.00 0.00 179.25 180.51 3fa3 h SER 53 N -0.29 0.00 -0.43 0.00 0.87 0.12 -2.10 113.55 111.72 3fa3 h SER 53 Ca -0.07 -0.64 -0.10 0.00 -1.23 0.00 0.00 61.79 59.76 3fa3 h SER 53 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 3fa3 h SER 53 CO 0.10 0.86 -0.08 0.58 -0.53 0.00 0.00 176.83 177.75 3fa3 h VAL 54 N -1.00 1.26 -0.05 2.23 2.07 -1.65 -3.35 116.25 115.76 3fa3 h VAL 54 Ca -0.02 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3fa3 h VAL 54 Cb 0.69 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3fa3 h VAL 54 CO -0.01 0.41 0.00 1.41 0.02 0.00 0.00 177.57 179.40 3fa3 n HIS 55 N -4.17 0.06 -2.63 1.57 8.25 -1.15 -5.00 115.22 112.15 3fa3 n HIS 55 Ca 0.02 -0.20 -0.18 0.00 -0.26 0.00 0.00 57.72 57.10 3fa3 n HIS 55 Cb 0.36 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 3fa3 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 56 N 0.04 -0.50 3.05 -1.41 0.00 -0.79 -4.91 105.19 100.67 3fa3 n GLY 56 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.26 0.50 1.15 1.61 2.00 -0.33 -4.96 119.66 114.37 3fa3 s GLN 57 Ca 0.09 -0.90 -0.13 0.00 -2.00 0.00 0.00 55.36 52.42 3fa3 s GLN 57 Cb -0.05 0.02 0.27 0.00 0.80 0.00 0.00 33.01 34.06 3fa3 s GLN 57 CO 0.12 -0.04 1.04 0.00 -0.50 0.00 0.00 175.29 175.90 3fa3 s ALA 58 N -2.42 -0.23 -0.94 1.58 0.00 -1.26 -2.84 121.76 115.65 3fa3 s ALA 58 Ca -0.05 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 3fa3 s ALA 58 Cb -0.03 -3.19 0.19 0.00 0.00 0.00 0.00 23.12 20.09 3fa3 s ALA 58 CO -0.04 -3.68 1.01 0.34 0.00 0.00 0.00 175.76 173.39 3fa3 s ASP 59 N -2.79 6.83 -0.06 0.00 -1.08 -1.26 -4.65 116.67 113.66 3fa3 s ASP 59 Ca 0.68 -2.63 0.13 0.00 -0.52 0.00 0.00 52.55 50.20 3fa3 s ASP 59 Cb -0.23 -2.29 0.25 0.00 -1.46 0.00 0.00 42.92 39.18 3fa3 s ASP 59 CO 0.63 -0.72 1.11 0.18 0.52 0.00 0.00 175.17 176.89 3fa3 n LEU 60 N 4.85 1.20 -1.55 -1.34 4.77 -1.26 -2.93 117.00 120.74 3fa3 n LEU 60 Ca 0.21 -2.18 -0.12 0.00 -0.03 0.00 0.00 56.01 53.89 3fa3 n LEU 60 Cb 0.46 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3fa3 n LEU 60 CO 0.44 0.60 -0.07 0.61 -1.33 0.00 0.00 177.39 177.65 3fa3 n GLY 61 N -0.35 -0.03 0.19 -0.72 0.00 -1.19 -4.32 105.19 98.77 3fa3 n GLY 61 Ca 0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.42 1.34 -3.86 -0.61 1.08 -1.90 -3.45 117.51 109.69 3fa3 h ILE 62 Ca -0.28 -1.79 -0.52 0.00 -0.39 0.00 0.00 64.86 61.88 3fa3 h ILE 62 Cb 1.20 1.82 0.05 0.00 -3.07 0.00 0.00 36.82 36.82 3fa3 h ILE 62 CO 0.32 0.54 0.59 0.00 -0.69 0.00 0.00 178.15 178.91 3fa3 s THR 64 N -1.14 4.35 0.35 0.00 -1.32 -1.26 -4.99 115.64 111.63 3fa3 s THR 64 Ca 0.48 -1.01 0.13 0.00 -1.21 0.00 0.00 61.69 60.08 3fa3 s THR 64 Cb -0.38 -3.51 0.34 0.00 -1.51 0.00 0.00 72.50 67.44 3fa3 s THR 64 CO 0.50 -0.20 1.72 0.25 -2.21 0.00 0.00 174.62 174.68 3fa3 h LEU 65 N 0.98 0.58 -0.51 9.08 5.85 -1.98 -1.64 115.31 127.68 3fa3 h LEU 65 Ca -0.47 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 3fa3 h LEU 65 Cb 1.25 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3fa3 h LEU 65 CO 0.55 0.05 -0.00 0.78 -0.34 0.00 0.00 178.44 179.47 3fa3 h ASN 66 N 0.47 0.88 0.02 1.25 4.21 -1.99 0.15 115.58 120.57 3fa3 h ASN 66 Ca 0.66 -0.31 -0.12 0.00 1.21 0.00 0.00 56.30 57.74 3fa3 h ASN 66 Cb 1.43 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.38 3fa3 h ASN 66 CO -0.45 0.97 -0.37 0.44 -1.29 0.00 0.00 177.43 176.73 3fa3 h ASP 67 N 0.76 0.49 0.08 5.81 3.32 -1.73 -2.45 116.42 122.71 3fa3 h ASP 67 Ca 0.14 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 3fa3 h ASP 67 Cb 0.52 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.95 3fa3 h ASP 67 CO 0.03 0.82 -0.47 0.24 -1.72 0.00 0.00 179.24 178.13 3fa3 h MET 68 N 0.40 0.18 -0.91 3.56 2.86 -0.75 -2.51 114.93 117.76 3fa3 h MET 68 Ca 0.04 -0.30 0.07 0.00 -2.06 0.00 0.00 59.70 57.44 3fa3 h MET 68 Cb 0.83 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.54 3fa3 h MET 68 CO 0.07 1.14 0.57 -0.09 1.06 0.00 0.00 176.91 179.66 3fa3 h ARG 69 N -0.62 1.01 -0.05 1.72 1.12 -0.74 0.81 114.38 117.64 3fa3 h ARG 69 Ca -0.08 -0.06 -0.20 0.00 -1.11 0.00 0.00 59.98 58.53 3fa3 h ARG 69 Cb 1.37 -0.23 0.01 0.00 -0.01 0.00 0.00 29.97 31.11 3fa3 h ARG 69 CO 0.09 0.67 -0.74 0.00 -3.11 0.00 0.00 179.97 176.88 3fa3 h ALA 70 N 1.43 0.15 -0.65 2.80 0.00 -1.48 0.19 119.26 121.70 3fa3 h ALA 70 Ca 0.40 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 70 Cb 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3fa3 h ALA 70 CO -0.18 0.51 0.36 -0.97 0.00 0.00 0.00 179.25 178.97 3fa3 h ASN 71 N 0.19 0.54 -0.60 0.00 -1.24 -1.21 -2.45 115.58 110.82 3fa3 h ASN 71 Ca -0.08 0.03 0.02 0.00 0.71 0.00 0.00 56.30 56.98 3fa3 h ASN 71 Cb 1.41 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.35 3fa3 h ASN 71 CO 0.15 0.35 0.37 0.00 -1.29 0.00 0.00 177.43 177.01 3fa3 h ALA 72 N 1.34 0.77 -0.62 1.57 0.00 -0.45 -2.41 119.26 119.46 3fa3 h ALA 72 Ca 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 72 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fa3 h ALA 72 CO -0.18 0.13 0.07 1.49 0.00 0.00 0.00 179.25 180.76 3fa3 h GLU 73 N 0.75 1.04 -0.02 0.00 4.81 -0.23 -0.47 114.58 120.47 3fa3 h GLU 73 Ca 0.23 -0.30 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 3fa3 h GLU 73 Cb -0.01 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3fa3 h GLU 73 CO -0.08 0.99 -0.88 0.00 -0.73 0.00 0.00 179.01 178.30 3fa3 h MET 74 N 0.95 0.37 -0.61 1.92 -0.00 -1.46 -2.75 114.93 113.34 3fa3 h MET 74 Ca 0.18 -0.37 -0.00 0.00 -0.00 0.00 0.00 59.70 59.51 3fa3 h MET 74 Cb 0.47 0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 32.14 3fa3 h MET 74 CO 0.02 1.05 0.37 0.82 -0.00 0.00 0.00 176.91 179.16 3fa3 h ILE 75 N 0.22 1.18 0.00 -0.10 2.04 -0.89 -0.62 117.51 119.33 3fa3 h ILE 75 Ca -0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3fa3 h ILE 75 Cb 1.50 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3fa3 h ILE 75 CO 0.15 0.19 0.00 0.28 0.00 0.00 0.00 178.15 178.77 3fa3 h SER 76 N 0.83 0.00 -0.20 1.72 0.02 -1.09 -2.96 113.55 111.87 3fa3 h SER 76 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3fa3 h SER 76 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3fa3 h SER 76 CO -0.04 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.24 3fa3 n ASN 77 N -2.32 2.67 0.15 3.07 3.02 -0.54 -3.66 115.26 117.65 3fa3 n ASN 77 Ca 0.02 -1.78 -0.13 0.00 -0.03 0.00 0.00 54.58 52.66 3fa3 n ASN 77 Cb 0.25 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 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 2.90 0.73 -3.45 2.41 2.04 -0.98 -3.42 117.51 117.74 3fa3 h ILE 78 Ca 0.00 -0.57 -0.62 0.00 1.00 0.00 0.00 64.86 64.67 3fa3 h ILE 78 Cb 0.71 1.03 -0.37 0.00 -0.74 0.00 0.00 36.82 37.45 3fa3 h ILE 78 CO 0.00 0.11 -0.81 -0.55 0.00 0.00 0.00 178.15 176.90 3fa3 s SER 79 N -5.09 3.47 0.12 1.72 0.15 -1.25 -5.03 113.70 107.79 3fa3 s SER 79 Ca -0.14 -0.92 -0.05 0.00 0.70 0.00 0.00 55.95 55.53 3fa3 s SER 79 Cb 0.02 -1.26 -0.12 0.00 -1.71 0.00 0.00 66.02 62.95 3fa3 s SER 79 CO 0.56 -0.14 1.28 -0.65 1.20 0.00 0.00 173.24 175.48 3fa3 h PRO 80 N 7.96 0.42 0.00 5.44 0.11 -1.82 -2.67 132.00 141.44 3fa3 h PRO 80 Ca -0.28 -0.47 0.00 0.00 0.11 0.00 0.00 66.00 65.36 3fa3 h PRO 80 Cb 1.09 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fa3 h PRO 80 CO 0.48 1.14 0.00 -1.13 -0.21 0.00 0.00 178.00 178.28 3fa3 n SER 81 N -3.74 0.00 -4.61 -2.05 3.41 -1.26 -4.13 113.62 101.25 3fa3 n SER 81 Ca -0.07 -0.61 -0.37 0.00 -0.26 0.00 0.00 58.87 57.56 3fa3 n SER 81 Cb 0.86 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.62 3fa3 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa3 s THR 82 N -2.17 5.12 0.07 6.66 2.01 -1.01 -4.97 115.64 121.36 3fa3 s THR 82 Ca 0.35 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 3fa3 s THR 82 Cb 0.18 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 3fa3 s THR 82 CO 0.33 0.33 1.10 -2.84 -0.69 0.00 0.00 174.62 172.85 3fa3 s PRO 83 N 1.23 4.52 -0.08 4.92 0.02 -1.26 -4.84 135.00 139.50 3fa3 s PRO 83 Ca 0.07 1.64 -0.00 0.00 0.02 0.00 0.00 61.00 62.72 3fa3 s PRO 83 Cb -0.14 -3.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 3fa3 s PRO 83 CO 0.06 -0.10 -0.05 0.08 -0.33 0.00 0.00 177.00 176.66 3fa3 s VAL 84 N 0.71 3.84 -0.17 3.83 1.01 -1.26 -2.36 120.40 125.99 3fa3 s VAL 84 Ca 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3fa3 s VAL 84 Cb -0.27 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3fa3 s VAL 84 CO 0.30 0.58 -0.16 -0.63 0.00 0.00 0.00 175.10 175.20 3fa3 s ILE 85 N -0.65 2.51 -0.12 2.22 1.01 -0.94 -0.19 121.20 125.04 3fa3 s ILE 85 Ca 0.10 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3fa3 s ILE 85 Cb -0.12 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3fa3 s ILE 85 CO 0.02 0.51 -0.14 0.00 0.00 0.00 0.00 174.94 175.33 3fa3 s ALA 86 N 1.10 1.69 0.72 9.38 0.00 -0.02 -1.09 121.76 133.55 3fa3 s ALA 86 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 3fa3 s ALA 86 Cb -0.14 -0.91 -0.13 0.00 0.00 0.00 0.00 23.12 21.94 3fa3 s ALA 86 CO -0.05 -0.21 -0.49 -3.47 0.00 0.00 0.00 175.76 171.53 3fa3 n ASP 87 N 4.46 -4.60 -0.89 0.00 -0.08 -1.14 -2.94 116.55 111.37 3fa3 n ASP 87 Ca -0.18 0.32 -0.05 0.00 -1.51 0.00 0.00 54.79 53.37 3fa3 n ASP 87 Cb 0.51 -0.70 -0.05 0.00 2.34 0.00 0.00 41.12 43.21 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 -1.89 2.32 0.00 -1.67 0.00 -0.99 -4.65 120.51 113.62 3fa3 n ALA 88 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3fa3 n ALA 88 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.02 0.00 -1.44 0.00 8.00 -1.18 -1.94 116.55 119.97 3fa3 n ASP 89 Ca -0.20 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.22 3fa3 n ASP 89 Cb 0.58 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.73 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 1.82 -0.57 -3.53 -2.24 -1.26 -2.72 114.28 105.78 3fa3 n THR 90 Ca 0.00 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3fa3 n THR 90 Cb 0.00 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.12 0.39 2.33 3.38 0.00 -0.82 -4.02 105.19 106.56 3fa3 n GLY 91 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 -1.64 -2.47 1.61 4.02 -1.26 -3.45 117.16 111.97 3fa3 n TYR 92 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 57.90 58.52 3fa3 n TYR 92 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 39.34 36.41 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 -1.32 -2.19 2.21 2.72 0.00 -1.26 -4.56 105.19 100.80 3fa3 n GLY 93 Ca 0.01 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.32 -3.33 0.36 -0.02 0.00 -1.26 -4.40 105.19 96.22 3fa3 n GLY 94 Ca 0.00 -1.37 0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.18 -0.05 -0.24 1.61 -0.01 -1.26 -1.31 135.00 129.56 3fa3 n PRO 95 Ca 0.10 1.30 -0.08 0.00 -0.01 0.00 0.00 63.50 64.81 3fa3 n PRO 95 Cb 0.40 -2.41 0.04 0.00 -0.01 0.00 0.00 33.50 31.51 3fa3 n PRO 95 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 3fa3 h ILE 96 N 0.00 1.26 0.17 4.25 1.08 -1.96 0.11 117.51 122.43 3fa3 h ILE 96 Ca 0.84 -0.94 -0.31 0.00 -0.39 0.00 0.00 64.86 64.05 3fa3 h ILE 96 Cb 2.38 0.59 0.03 0.00 -3.07 0.00 0.00 36.82 36.76 3fa3 h ILE 96 CO -0.65 0.36 -1.34 0.24 -0.69 0.00 0.00 178.15 176.07 3fa3 h MET 97 N 0.99 0.59 -0.94 2.37 2.86 -1.46 -2.88 114.93 116.47 3fa3 h MET 97 Ca 0.21 -0.87 0.18 0.00 -2.06 0.00 0.00 59.70 57.16 3fa3 h MET 97 Cb 0.36 0.30 -0.08 0.00 0.06 0.00 0.00 31.60 32.24 3fa3 h MET 97 CO 0.00 1.40 0.60 0.28 1.06 0.00 0.00 176.91 180.26 3fa3 h VAL 98 N 0.23 0.73 -0.09 -2.22 2.07 -1.05 -0.81 116.25 115.11 3fa3 h VAL 98 Ca -0.21 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 3fa3 h VAL 98 Cb 2.02 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3fa3 h VAL 98 CO 0.25 0.11 -0.54 0.00 0.02 0.00 0.00 177.57 177.41 3fa3 h ALA 99 N 1.61 0.92 0.01 1.67 0.00 -0.77 -2.47 119.26 120.22 3fa3 h ALA 99 Ca 0.50 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3fa3 h ALA 99 Cb 0.97 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3fa3 h ALA 99 CO -0.25 0.69 -0.62 0.00 0.00 0.00 0.00 179.25 179.07 3fa3 h ARG 100 N 0.20 0.41 -0.62 0.00 3.08 -1.03 -1.40 114.38 115.03 3fa3 h ARG 100 Ca 0.00 -0.45 0.06 0.00 0.07 0.00 0.00 59.98 59.66 3fa3 h ARG 100 Cb 1.02 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.11 3fa3 h ARG 100 CO 0.09 1.12 -0.55 1.15 -1.07 0.00 0.00 179.97 180.70 3fa3 h THR 101 N -0.10 0.00 0.03 2.04 2.02 -1.33 1.22 112.91 116.80 3fa3 h THR 101 Ca -0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3fa3 h THR 101 Cb 1.34 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3fa3 h THR 101 CO 0.12 0.00 -0.15 0.74 0.37 0.00 0.00 175.52 176.60 3fa3 h THR 102 N -0.24 0.63 -0.75 3.16 2.02 -1.38 0.15 112.91 116.49 3fa3 h THR 102 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3fa3 h THR 102 Cb 0.51 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3fa3 h THR 102 CO -0.71 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.25 3fa3 h GLU 103 N -0.27 1.06 -0.36 6.66 5.08 -0.76 -2.21 114.58 123.78 3fa3 h GLU 103 Ca 0.04 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3fa3 h GLU 103 Cb 0.32 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3fa3 h GLU 103 CO -0.13 0.80 -0.17 1.96 -1.00 0.00 0.00 179.01 180.48 3fa3 h GLN 104 N 1.04 0.67 -0.23 2.33 4.20 0.23 -1.45 115.11 121.90 3fa3 h GLN 104 Ca 0.26 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 3fa3 h GLN 104 Cb 0.07 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3fa3 h GLN 104 CO -0.04 0.80 -0.46 1.88 -0.67 0.00 0.00 178.83 180.35 3fa3 h TYR 105 N 0.60 0.72 0.80 2.96 -1.99 -0.50 -0.89 116.97 118.66 3fa3 h TYR 105 Ca 0.10 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 60.56 3fa3 h TYR 105 Cb 0.63 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3fa3 h TYR 105 CO 0.03 0.94 -0.42 0.77 -0.00 0.00 0.00 178.16 179.47 3fa3 h SER 106 N 0.48 -1.03 -0.41 3.88 0.02 -1.17 -0.09 113.55 115.23 3fa3 h SER 106 Ca 0.03 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3fa3 h SER 106 Cb 0.98 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 3fa3 h SER 106 CO 0.09 -0.69 0.27 0.03 -1.14 0.00 0.00 176.83 175.39 3fa3 h ARG 107 N -1.13 0.40 0.00 3.45 3.08 -1.29 -1.11 114.38 117.78 3fa3 h ARG 107 Ca -0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3fa3 h ARG 107 Cb 0.88 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3fa3 h ARG 107 CO 0.15 0.27 0.00 0.77 -1.07 0.00 0.00 179.97 180.09 3fa3 h SER 108 N 0.42 0.00 0.00 7.04 0.02 -0.68 -3.47 113.55 116.88 3fa3 h SER 108 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3fa3 h SER 108 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3fa3 h SER 108 CO -0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 3fa3 n GLY 109 N 0.09 0.71 3.72 -3.77 0.00 -0.42 -4.74 105.19 100.78 3fa3 n GLY 109 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.14 2.48 0.05 1.61 1.01 -0.16 -4.43 120.40 118.82 3fa3 s VAL 110 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 3fa3 s VAL 110 Cb 0.00 -3.23 -0.32 0.00 0.00 0.00 0.00 36.38 32.83 3fa3 s VAL 110 CO 0.00 0.03 1.06 0.00 0.00 0.00 0.00 175.10 176.19 3fa3 h ALA 111 N 6.42 -0.08 -2.43 5.51 0.00 -0.86 -3.38 119.26 124.44 3fa3 h ALA 111 Ca -0.43 -0.83 -0.11 0.00 0.00 0.00 0.00 54.91 53.53 3fa3 h ALA 111 Cb 1.21 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 3fa3 h ALA 111 CO 0.89 0.72 -0.50 0.00 0.00 0.00 0.00 179.25 180.36 3fa3 s ALA 112 N -2.76 0.20 0.14 0.00 0.00 -0.83 -0.76 121.76 117.75 3fa3 s ALA 112 Ca -0.09 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 3fa3 s ALA 112 Cb 0.05 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 3fa3 s ALA 112 CO 0.94 -0.48 0.24 -0.59 0.00 0.00 0.00 175.76 175.86 3fa3 s PHE 113 N -3.92 0.33 -0.10 0.00 -0.12 -0.59 -0.84 117.98 112.75 3fa3 s PHE 113 Ca 0.10 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 3fa3 s PHE 113 Cb 0.06 -0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.39 3fa3 s PHE 113 CO -0.07 -0.65 -0.12 -3.38 -0.05 0.00 0.00 175.22 170.95 3fa3 s HIS 114 N -3.93 1.68 0.02 3.49 -3.43 -1.15 -0.61 115.29 111.35 3fa3 s HIS 114 Ca 0.13 -0.75 0.06 0.00 -0.80 0.00 0.00 55.06 53.71 3fa3 s HIS 114 Cb 0.04 -1.26 -0.03 0.00 -1.43 0.00 0.00 32.58 29.90 3fa3 s HIS 114 CO -0.04 -0.42 -0.17 0.42 -2.00 0.00 0.00 174.74 172.53 3fa3 s ILE 115 N 1.06 2.83 0.37 -5.38 1.01 -1.07 -2.34 121.20 117.68 3fa3 s ILE 115 Ca -0.06 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.54 3fa3 s ILE 115 Cb -0.15 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3fa3 s ILE 115 CO -0.02 0.39 0.14 -1.83 0.00 0.00 0.00 174.94 173.63 3fa3 s GLU 116 N -1.28 1.81 -0.42 2.79 -1.05 -1.10 -0.25 118.70 119.19 3fa3 s GLU 116 Ca 0.14 -2.07 0.05 0.00 -0.15 0.00 0.00 54.97 52.93 3fa3 s GLU 116 Cb -0.11 -0.45 0.60 0.00 -0.44 0.00 0.00 34.13 33.73 3fa3 s GLU 116 CO 0.04 -0.45 1.79 -0.40 0.95 0.00 0.00 175.26 177.18 3fa3 n ASP 117 N -1.17 3.78 -4.98 0.83 3.85 -1.21 -4.64 116.55 113.01 3fa3 n ASP 117 Ca -0.03 -3.69 -0.20 0.00 -0.71 0.00 0.00 54.79 50.16 3fa3 n ASP 117 Cb 0.65 -0.78 0.01 0.00 -1.35 0.00 0.00 41.12 39.65 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3fa3 s GLN 118 N -3.35 2.95 0.76 0.11 -0.21 -1.26 -0.57 119.66 118.09 3fa3 s GLN 118 Ca 0.54 -0.83 -0.15 0.00 0.02 0.00 0.00 55.36 54.94 3fa3 s GLN 118 Cb 0.46 -2.66 0.04 0.00 1.00 0.00 0.00 33.01 31.85 3fa3 s GLN 118 CO 0.06 -0.24 1.10 1.33 -2.12 0.00 0.00 175.29 175.42 3fa3 n VAL 119 N -1.94 2.64 -0.30 1.09 0.24 -1.17 -4.63 118.33 114.25 3fa3 n VAL 119 Ca 0.03 -0.31 0.14 0.00 -2.04 0.00 0.00 64.34 62.16 3fa3 n VAL 119 Cb 0.58 -1.18 0.30 0.00 -1.47 0.00 0.00 33.84 32.08 3fa3 n VAL 119 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3fa3 h GLN 120 N -0.49 0.22 -3.03 7.34 4.15 -1.95 -1.28 115.11 120.07 3fa3 h GLN 120 Ca -0.47 -0.01 -0.70 0.00 0.77 0.00 0.00 58.65 58.23 3fa3 h GLN 120 Cb 1.32 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 3fa3 h GLN 120 CO 0.47 0.15 3.22 0.25 -1.93 0.00 0.00 178.83 180.98 3fa3 n THR 121 N -5.20 4.52 -1.13 2.39 -2.24 -1.26 -4.76 114.28 106.59 3fa3 n THR 121 Ca 0.22 -3.29 -0.30 0.00 -2.27 0.00 0.00 64.05 58.42 3fa3 n THR 121 Cb 0.70 -2.43 0.23 0.00 -2.10 0.00 0.00 70.33 66.72 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 1.14 -0.88 0.18 -0.78 -2.85 -0.48 -4.87 119.74 111.20 3fa3 s LYS 122 Ca 0.60 0.01 0.03 0.00 -1.00 0.00 0.00 55.97 55.62 3fa3 s LYS 122 Cb 0.17 -1.63 -0.01 0.00 -2.06 0.00 0.00 37.83 34.30 3fa3 s LYS 122 CO -0.07 -3.50 0.09 2.89 0.10 0.00 0.00 175.35 174.86 3fa3 n ARG 123 N -4.63 0.56 -2.23 1.78 1.85 -1.26 -3.14 116.66 109.59 3fa3 n ARG 123 Ca 0.12 -1.61 -0.38 0.00 -1.00 0.00 0.00 57.85 54.97 3fa3 n ARG 123 Cb 0.59 1.04 -0.01 0.00 -1.05 0.00 0.00 32.46 33.02 3fa3 n ARG 123 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fa3 h GLY 125 N 2.58 0.21 -2.92 0.00 0.00 -2.00 -2.77 103.07 98.17 3fa3 h GLY 125 Ca -0.49 0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 3fa3 h GLY 125 CO 0.62 -0.19 0.19 1.42 0.00 0.00 0.00 176.54 178.58 3fa3 n HIS 126 N -5.37 0.78 -4.23 5.60 8.25 -1.26 -4.88 115.22 114.11 3fa3 n HIS 126 Ca 0.03 -1.21 -0.16 0.00 -0.26 0.00 0.00 57.72 56.12 3fa3 n HIS 126 Cb 0.28 -0.60 -0.11 0.00 1.12 0.00 0.00 29.99 30.68 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 -0.89 2.43 0.88 2.41 2.01 -1.05 -4.82 118.68 119.65 3fa3 s LEU 127 Ca 0.15 -0.85 -0.13 0.00 0.01 0.00 0.00 54.13 53.31 3fa3 s LEU 127 Cb 0.12 -0.45 0.12 0.00 0.01 0.00 0.00 46.19 45.99 3fa3 s LEU 127 CO 0.01 -0.21 1.17 0.00 1.01 0.00 0.00 176.35 178.33 3fa3 s ALA 128 N -2.46 2.14 0.00 4.21 0.00 -1.26 -4.25 121.76 120.14 3fa3 s ALA 128 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3fa3 s ALA 128 Cb -0.03 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3fa3 s ALA 128 CO 0.02 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.12 3fa3 n GLY 129 N -2.74 0.83 3.60 0.00 0.00 -1.26 -4.94 105.19 100.68 3fa3 n GLY 129 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.60 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fa3 n LYS 130 N -2.30 1.36 -3.71 1.61 5.02 -1.26 -4.97 118.16 113.91 3fa3 n LYS 130 Ca 0.00 0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 56.41 3fa3 n LYS 130 Cb 0.00 -2.11 -0.07 0.00 -0.02 0.00 0.00 35.03 32.83 3fa3 n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fa3 s ILE 131 N 0.30 5.37 0.09 -0.18 1.01 -1.26 -4.92 121.20 121.61 3fa3 s ILE 131 Ca 0.79 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.81 3fa3 s ILE 131 Cb -0.86 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3fa3 s ILE 131 CO 0.47 0.52 0.04 0.18 0.00 0.00 0.00 174.94 176.15 3fa3 n LEU 132 N 2.70 0.00 -4.46 2.97 4.77 -1.26 -3.04 117.00 118.68 3fa3 n LEU 132 Ca -0.16 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.06 3fa3 n LEU 132 Cb 0.53 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3fa3 n LEU 132 CO 0.35 -0.20 -0.32 0.54 -1.33 0.00 0.00 177.39 176.43 3fa3 s VAL 133 N -0.89 1.53 0.71 4.08 0.11 0.26 -4.14 120.40 122.07 3fa3 s VAL 133 Ca 0.03 -2.06 -0.12 0.00 -2.93 0.00 0.00 61.98 56.89 3fa3 s VAL 133 Cb -0.00 -2.64 0.02 0.00 -1.53 0.00 0.00 36.38 32.23 3fa3 s VAL 133 CO 0.02 -0.16 1.08 1.51 -3.33 0.00 0.00 175.10 174.22 3fa3 s ASP 134 N -3.49 4.99 0.30 3.54 1.47 -1.26 -4.86 116.67 117.35 3fa3 s ASP 134 Ca 0.33 1.80 0.05 0.00 1.18 0.00 0.00 52.55 55.90 3fa3 s ASP 134 Cb 0.06 -2.52 0.79 0.00 -0.34 0.00 0.00 42.92 40.92 3fa3 s ASP 134 CO 0.14 -1.71 1.64 0.74 0.68 0.00 0.00 175.17 176.66 3fa3 h THR 135 N -0.64 0.26 -0.19 2.11 2.02 -1.99 -2.38 112.91 112.11 3fa3 h THR 135 Ca -0.45 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3fa3 h THR 135 Cb 1.23 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3fa3 h THR 135 CO 0.54 0.03 -0.12 0.44 0.37 0.00 0.00 175.52 176.78 3fa3 h ASP 136 N 0.19 0.43 -0.49 4.18 5.19 -1.98 0.95 116.42 124.89 3fa3 h ASP 136 Ca 0.59 -0.43 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 3fa3 h ASP 136 Cb 1.25 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.59 3fa3 h ASP 136 CO -0.68 0.77 0.21 0.74 -3.12 0.00 0.00 179.24 177.16 3fa3 h THR 137 N 0.09 0.90 -1.01 0.35 2.02 -1.82 0.24 112.91 113.69 3fa3 h THR 137 Ca 0.04 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3fa3 h THR 137 Cb 0.62 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 3fa3 h THR 137 CO 0.03 0.08 0.65 0.22 0.37 0.00 0.00 175.52 176.87 3fa3 h TYR 138 N 0.42 1.19 -0.53 3.16 3.20 -0.97 -2.03 116.97 121.41 3fa3 h TYR 138 Ca 0.23 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 3fa3 h TYR 138 Cb 0.19 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3fa3 h TYR 138 CO -0.13 0.57 -0.12 0.28 -1.64 0.00 0.00 178.16 177.12 3fa3 h VAL 139 N 1.12 1.27 -0.74 1.81 2.07 0.99 -2.49 116.25 120.27 3fa3 h VAL 139 Ca 0.45 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.77 3fa3 h VAL 139 Cb 0.27 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3fa3 h VAL 139 CO -0.20 0.45 0.42 0.74 0.02 0.00 0.00 177.57 179.00 3fa3 h THR 140 N 0.89 0.96 0.16 2.57 2.02 0.12 0.43 112.91 120.07 3fa3 h THR 140 Ca 0.14 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3fa3 h THR 140 Cb 0.68 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3fa3 h THR 140 CO 0.05 0.14 -0.28 0.03 0.37 0.00 0.00 175.52 175.83 3fa3 h ARG 141 N 0.76 -0.50 -0.38 6.66 3.08 -1.34 -0.14 114.38 122.51 3fa3 h ARG 141 Ca 0.34 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.49 3fa3 h ARG 141 Cb 0.23 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3fa3 h ARG 141 CO -0.20 -0.33 0.04 0.82 -1.07 0.00 0.00 179.97 179.23 3fa3 h ILE 142 N -0.52 0.77 -0.58 2.04 1.08 -0.49 -2.24 117.51 117.56 3fa3 h ILE 142 Ca 0.02 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 3fa3 h ILE 142 Cb 0.53 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 3fa3 h ILE 142 CO -0.13 0.03 0.16 -0.09 -0.69 0.00 0.00 178.15 177.42 3fa3 h ARG 143 N 0.16 0.92 -0.48 2.37 2.43 0.04 -2.82 114.38 117.00 3fa3 h ARG 143 Ca 0.18 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3fa3 h ARG 143 Cb 0.23 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3fa3 h ARG 143 CO -0.27 0.84 0.19 0.00 -1.51 0.00 0.00 179.97 179.23 3fa3 h ALA 144 N 1.04 1.44 -0.14 2.80 0.00 -0.44 -1.05 119.26 122.90 3fa3 h ALA 144 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3fa3 h ALA 144 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fa3 h ALA 144 CO -0.00 0.43 0.01 0.00 0.00 0.00 0.00 179.25 179.69 3fa3 h ALA 145 N 1.53 0.19 -0.85 0.00 0.00 -1.22 0.40 119.26 119.32 3fa3 h ALA 145 Ca 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fa3 h ALA 145 Cb 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3fa3 h ALA 145 CO -0.02 -0.13 0.56 0.28 0.00 0.00 0.00 179.25 179.94 3fa3 h VAL 146 N 0.00 1.20 -0.10 0.00 2.07 -1.31 0.23 116.25 118.34 3fa3 h VAL 146 Ca 0.04 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 3fa3 h VAL 146 Cb 0.33 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3fa3 h VAL 146 CO 0.01 0.21 -0.53 1.56 0.02 0.00 0.00 177.57 178.83 3fa3 h GLN 147 N 1.12 0.52 -0.14 1.57 4.20 -0.95 -2.23 115.11 119.20 3fa3 h GLN 147 Ca 0.32 -0.44 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 3fa3 h GLN 147 Cb -0.10 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3fa3 h GLN 147 CO -0.08 1.07 -0.42 0.00 -0.67 0.00 0.00 178.83 178.73 3fa3 h ALA 148 N 0.46 1.03 -0.31 3.87 0.00 -0.86 -2.14 119.26 121.32 3fa3 h ALA 148 Ca -0.04 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.49 3fa3 h ALA 148 Cb 1.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3fa3 h ALA 148 CO 0.11 0.61 0.03 -0.09 0.00 0.00 0.00 179.25 179.91 3fa3 h ARG 149 N 0.27 0.13 0.09 0.00 2.43 -0.30 -2.96 114.38 114.03 3fa3 h ARG 149 Ca 0.02 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 3fa3 h ARG 149 Cb 0.85 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3fa3 h ARG 149 CO 0.07 0.09 -1.18 1.96 -1.51 0.00 0.00 179.97 179.39 3fa3 h GLN 150 N 0.13 0.57 -0.41 0.20 4.20 -1.32 -2.94 115.11 115.55 3fa3 h GLN 150 Ca 0.15 -0.74 0.12 0.00 0.06 0.00 0.00 58.65 58.24 3fa3 h GLN 150 Cb 0.18 0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3fa3 h GLN 150 CO -0.22 1.32 0.46 -0.09 -0.67 0.00 0.00 178.83 179.64 3fa3 h ARG 151 N 0.27 0.00 -0.00 1.46 2.43 -1.23 -0.41 114.38 116.90 3fa3 h ARG 151 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3fa3 h ARG 151 Cb 1.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3fa3 h ARG 151 CO 0.22 0.00 -0.96 0.44 -1.51 0.00 0.00 179.97 178.16 3fa3 n ILE 152 N -3.65 0.00 -0.63 1.20 -5.35 -1.15 -5.02 119.36 104.75 3fa3 n ILE 152 Ca 0.07 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3fa3 n ILE 152 Cb 0.64 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 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 1.49 0.86 3.75 3.28 0.00 -0.16 -5.05 105.19 109.35 3fa3 n GLY 153 Ca 0.04 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3fa3 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fa3 s SER 154 N -2.48 5.52 0.00 1.61 1.04 -1.12 -5.03 113.70 113.24 3fa3 s SER 154 Ca 0.00 0.12 0.23 0.00 0.48 0.00 0.00 55.95 56.78 3fa3 s SER 154 Cb 0.00 -1.56 0.43 0.00 0.10 0.00 0.00 66.02 65.00 3fa3 s SER 154 CO 0.00 0.29 1.40 0.47 0.98 0.00 0.00 173.24 176.38 3fa3 n ASP 155 N 1.33 3.15 -3.45 7.02 8.00 -1.26 -4.64 116.55 126.68 3fa3 n ASP 155 Ca -0.14 -1.96 -0.45 0.00 0.71 0.00 0.00 54.79 52.95 3fa3 n ASP 155 Cb 0.53 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.32 0.00 -2.86 0.53 3.06 -1.26 -4.58 119.36 115.57 3fa3 n ILE 156 Ca 0.18 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.01 3fa3 n ILE 156 Cb 0.57 -0.01 -0.04 0.00 0.54 0.00 0.00 39.64 40.70 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N 0.07 4.75 -0.09 9.51 1.01 0.06 -4.98 120.40 130.73 3fa3 s VAL 157 Ca 0.70 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 3fa3 s VAL 157 Cb -0.98 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.19 3fa3 s VAL 157 CO 0.44 -0.24 1.04 -0.69 0.00 0.00 0.00 175.10 175.65 3fa3 s VAL 158 N 3.06 4.70 -0.23 2.92 1.01 -1.26 -1.54 120.40 129.06 3fa3 s VAL 158 Ca 0.36 1.97 -0.06 0.00 0.00 0.00 0.00 61.98 64.25 3fa3 s VAL 158 Cb -0.14 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3fa3 s VAL 158 CO 0.11 0.02 0.03 -0.63 0.00 0.00 0.00 175.10 174.63 3fa3 s ILE 159 N 1.95 4.00 -0.33 2.22 1.01 0.22 0.36 121.20 130.62 3fa3 s ILE 159 Ca 0.50 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 3fa3 s ILE 159 Cb -0.20 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3fa3 s ILE 159 CO 0.19 0.37 0.36 0.00 0.00 0.00 0.00 174.94 175.86 3fa3 s ALA 160 N 1.50 3.51 -0.10 9.38 0.00 -0.21 -2.60 121.76 133.24 3fa3 s ALA 160 Ca 0.06 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.89 3fa3 s ALA 160 Cb -0.15 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 3fa3 s ALA 160 CO 0.01 -0.99 -0.14 0.50 0.00 0.00 0.00 175.76 175.15 3fa3 s ARG 161 N 2.02 3.01 0.13 0.00 3.52 0.65 -0.73 118.95 127.56 3fa3 s ARG 161 Ca 0.12 -0.70 0.10 0.00 -0.13 0.00 0.00 55.73 55.12 3fa3 s ARG 161 Cb -0.16 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 3fa3 s ARG 161 CO 0.11 0.38 -0.21 -0.08 -0.81 0.00 0.00 175.30 174.70 3fa3 s THR 162 N -0.09 2.64 -0.16 4.11 -1.32 -0.54 -3.36 115.64 116.92 3fa3 s THR 162 Ca -0.02 -1.64 0.16 0.00 -1.21 0.00 0.00 61.69 58.97 3fa3 s THR 162 Cb -0.14 -2.21 0.43 0.00 -1.51 0.00 0.00 72.50 69.07 3fa3 s THR 162 CO 0.04 0.06 1.20 0.47 -2.21 0.00 0.00 174.62 174.18 3fa3 n ASP 163 N 0.73 1.88 -0.29 8.08 8.00 -1.26 -1.20 116.55 132.49 3fa3 n ASP 163 Ca -0.16 -3.23 0.10 0.00 0.71 0.00 0.00 54.79 52.21 3fa3 n ASP 163 Cb 0.53 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.58 1.57 0.08 -2.24 3.41 -1.26 -4.35 113.62 110.25 3fa3 n SER 164 Ca 0.17 -1.29 -0.13 0.00 -0.26 0.00 0.00 58.87 57.37 3fa3 n SER 164 Cb 0.86 0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 65.40 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 1.43 -0.17 -0.75 1.04 5.85 -1.85 0.71 115.31 121.57 3fa3 h LEU 165 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3fa3 h LEU 165 Cb 0.63 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3fa3 h LEU 165 CO 0.00 0.11 0.48 0.06 -0.34 0.00 0.00 178.44 178.76 3fa3 h GLN 166 N -0.46 1.00 0.03 1.25 3.07 -1.88 -2.96 115.11 115.17 3fa3 h GLN 166 Ca -0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 3fa3 h GLN 166 Cb 0.36 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.70 3fa3 h GLN 166 CO 0.03 0.68 -0.01 1.15 0.09 0.00 0.00 178.83 180.77 3fa3 h THR 167 N 1.02 0.00 0.00 1.86 2.02 -1.76 -3.42 112.91 112.63 3fa3 h THR 167 Ca 0.27 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3fa3 h THR 167 Cb -0.09 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.32 3fa3 h THR 167 CO -0.06 0.00 -1.02 1.41 0.37 0.00 0.00 175.52 176.22 3fa3 n HIS 168 N -2.27 0.11 0.00 3.16 8.25 0.25 -5.07 115.22 119.65 3fa3 n HIS 168 Ca -0.00 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3fa3 n HIS 168 Cb 0.01 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 2.46 0.26 -1.41 0.00 -1.12 -4.68 105.19 102.13 3fa3 n GLY 169 Ca 0.03 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N 0.00 0.75 -0.59 1.61 3.20 -1.88 -2.58 116.97 117.48 3fa3 h TYR 170 Ca 0.00 -0.15 0.10 0.00 3.14 0.00 0.00 58.73 61.82 3fa3 h TYR 170 Cb 0.00 -0.19 -0.11 0.00 1.54 0.00 0.00 36.73 37.97 3fa3 h TYR 170 CO 0.00 0.81 -0.37 0.93 -1.64 0.00 0.00 178.16 177.89 3fa3 h GLU 171 N 0.61 -0.18 0.00 1.82 4.39 -1.97 -1.59 114.58 117.65 3fa3 h GLU 171 Ca 0.10 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3fa3 h GLU 171 Cb 0.64 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3fa3 h GLU 171 CO 0.04 -0.12 -0.32 1.49 -1.16 0.00 0.00 179.01 178.94 3fa3 h GLU 172 N -0.19 0.00 0.02 2.33 4.57 -1.75 -3.13 114.58 116.44 3fa3 h GLU 172 Ca 0.21 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.17 3fa3 h GLU 172 Cb 0.56 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 3fa3 h GLU 172 CO -0.68 0.32 -1.11 0.66 -1.18 0.00 0.00 179.01 177.03 3fa3 h SER 173 N 0.00 0.07 -0.07 1.04 4.64 -0.92 -2.36 113.55 115.95 3fa3 h SER 173 Ca -0.00 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 3fa3 h SER 173 Cb 0.59 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3fa3 h SER 173 CO 0.04 1.06 -0.58 0.58 -0.87 0.00 0.00 176.83 177.06 3fa3 h VAL 174 N 0.01 1.38 -0.38 0.95 2.07 -1.54 -2.61 116.25 116.13 3fa3 h VAL 174 Ca -0.06 -1.94 0.04 0.00 0.82 0.00 0.00 66.70 65.56 3fa3 h VAL 174 Cb 1.83 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 33.86 3fa3 h VAL 174 CO 0.14 0.58 -0.42 0.00 0.02 0.00 0.00 177.57 177.89 3fa3 h ALA 175 N 0.42 -0.61 -0.76 1.67 0.00 -1.50 0.20 119.26 118.68 3fa3 h ALA 175 Ca -0.05 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3fa3 h ALA 175 Cb 1.25 1.07 -0.14 0.00 0.00 0.00 0.00 17.79 19.97 3fa3 h ALA 175 CO 0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 179.25 178.50 3fa3 h ARG 176 N -0.24 0.07 -0.18 0.00 3.08 -1.49 0.19 114.38 115.82 3fa3 h ARG 176 Ca 0.07 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3fa3 h ARG 176 Cb 0.41 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3fa3 h ARG 176 CO -0.49 0.05 0.04 -0.07 -1.07 0.00 0.00 179.97 178.43 3fa3 h LEU 177 N 0.07 0.03 0.21 3.04 3.38 -0.52 -1.73 115.31 119.79 3fa3 h LEU 177 Ca 0.41 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.41 3fa3 h LEU 177 Cb 0.70 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3fa3 h LEU 177 CO -0.70 0.04 -0.43 0.03 0.09 0.00 0.00 178.44 177.48 3fa3 h ARG 178 N 0.12 -0.70 -1.67 1.13 3.08 0.65 -0.63 114.38 116.37 3fa3 h ARG 178 Ca 0.08 0.05 0.51 0.00 0.07 0.00 0.00 59.98 60.69 3fa3 h ARG 178 Cb 0.06 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.17 3fa3 h ARG 178 CO -0.10 -0.46 1.16 0.00 -1.07 0.00 0.00 179.97 179.50 3fa3 h ALA 179 N -0.31 3.37 0.02 0.04 0.00 -0.35 0.14 119.26 122.17 3fa3 h ALA 179 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 3fa3 h ALA 179 Cb 0.71 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3fa3 h ALA 179 CO -0.20 -1.97 -2.07 0.00 0.00 0.00 0.00 179.25 175.02 3fa3 n ALA 180 N -2.74 1.41 -0.32 0.00 0.00 -0.38 -2.56 120.51 115.92 3fa3 n ALA 180 Ca 0.41 -0.97 0.07 0.00 0.00 0.00 0.00 53.44 52.95 3fa3 n ALA 180 Cb 1.76 -0.52 0.27 0.00 0.00 0.00 0.00 19.45 20.97 3fa3 n ALA 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fa3 h ARG 181 N 0.01 0.91 -0.66 0.00 2.43 0.40 -0.65 114.38 116.82 3fa3 h ARG 181 Ca -0.43 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 3fa3 h ARG 181 Cb 2.08 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 31.38 3fa3 h ARG 181 CO 0.05 0.60 0.40 -0.44 -1.51 0.00 0.00 179.97 179.06 3fa3 h ASP 182 N 0.93 0.63 0.18 -3.80 5.19 -0.88 -2.13 116.42 116.54 3fa3 h ASP 182 Ca 0.45 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 3fa3 h ASP 182 Cb 0.45 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.84 3fa3 h ASP 182 CO -0.21 0.43 0.00 0.00 -3.12 0.00 0.00 179.24 176.34 3fa3 n ALA 183 N -2.32 2.52 -0.66 3.45 0.00 -0.35 -4.89 120.51 118.26 3fa3 n ALA 183 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3fa3 n ALA 183 Cb 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 0.92 1.42 3.82 0.00 0.00 -0.60 -4.63 105.19 106.12 3fa3 n GLY 184 Ca 0.19 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 s ALA 185 N -2.04 3.21 0.04 4.61 0.00 -0.72 -4.92 121.76 121.94 3fa3 s ALA 185 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 3fa3 s ALA 185 Cb 0.00 -3.01 -0.22 0.00 0.00 0.00 0.00 23.12 19.88 3fa3 s ALA 185 CO 0.00 0.22 1.16 -0.44 0.00 0.00 0.00 175.76 176.70 3fa3 h ASP 186 N 2.55 0.72 -2.91 0.00 3.32 -0.45 -3.42 116.42 116.23 3fa3 h ASP 186 Ca -0.48 -0.73 -0.51 0.00 0.02 0.00 0.00 57.03 55.33 3fa3 h ASP 186 Cb 1.18 -0.22 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 3fa3 h ASP 186 CO 0.64 1.36 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.08 3fa3 s VAL 187 N -3.32 1.99 -0.06 -1.35 1.01 -0.73 -4.42 120.40 113.52 3fa3 s VAL 187 Ca -0.12 -2.25 0.02 0.00 0.00 0.00 0.00 61.98 59.64 3fa3 s VAL 187 Cb 0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3fa3 s VAL 187 CO 0.87 -0.50 -0.12 -0.83 0.00 0.00 0.00 175.10 174.52 3fa3 s GLY 188 N -3.32 1.59 -0.35 4.51 0.00 -0.30 -1.05 107.32 108.40 3fa3 s GLY 188 Ca 0.24 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3fa3 s GLY 188 CO 0.09 -0.70 0.26 -0.12 0.00 0.00 0.00 173.10 172.64 3fa3 s PHE 189 N -0.68 0.32 -0.18 1.90 5.99 0.09 -0.45 117.98 124.97 3fa3 s PHE 189 Ca 0.10 -1.27 -0.24 0.00 0.00 0.00 0.00 56.93 55.52 3fa3 s PHE 189 Cb -0.11 -0.73 -0.02 0.00 0.00 0.00 0.00 43.02 42.16 3fa3 s PHE 189 CO 0.01 -0.88 0.78 -1.17 -0.00 0.00 0.00 175.22 173.96 3fa3 s LEU 190 N 1.30 4.16 -0.08 6.12 0.20 -1.26 -1.47 118.68 127.65 3fa3 s LEU 190 Ca 0.17 1.08 -0.11 0.00 0.69 0.00 0.00 54.13 55.95 3fa3 s LEU 190 Cb -0.20 -3.14 -0.05 0.00 -0.43 0.00 0.00 46.19 42.37 3fa3 s LEU 190 CO -0.04 -0.37 0.27 -0.70 -0.29 0.00 0.00 176.35 175.22 3fa3 s GLU 191 N 2.13 3.79 -0.65 1.98 2.56 -0.34 -4.47 118.70 123.70 3fa3 s GLU 191 Ca 0.36 0.12 -0.03 0.00 0.00 0.00 0.00 54.97 55.42 3fa3 s GLU 191 Cb -0.16 -3.25 -0.03 0.00 2.00 0.00 0.00 34.13 32.69 3fa3 s GLU 191 CO 0.11 0.64 0.59 0.41 -0.56 0.00 0.00 175.26 176.45 3fa3 n GLY 192 N 2.21 -0.68 3.67 -1.50 0.00 -1.26 -4.75 105.19 102.88 3fa3 n GLY 192 Ca -0.16 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3fa3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fa3 s ILE 193 N -3.18 3.70 0.06 -0.61 1.01 -1.26 -4.86 121.20 116.06 3fa3 s ILE 193 Ca 0.21 0.93 -0.11 0.00 0.00 0.00 0.00 60.65 61.68 3fa3 s ILE 193 Cb -0.03 -3.60 -0.31 0.00 0.01 0.00 0.00 42.46 38.54 3fa3 s ILE 193 CO 0.52 -0.06 1.09 0.74 0.00 0.00 0.00 174.94 177.23 3fa3 h THR 194 N 5.37 1.36 -1.52 2.92 2.02 -1.94 -3.28 112.91 117.85 3fa3 h THR 194 Ca -0.37 -2.76 -0.55 0.00 0.77 0.00 0.00 66.41 63.50 3fa3 h THR 194 Cb 1.17 2.90 -0.07 0.00 -1.74 0.00 0.00 68.15 70.40 3fa3 h THR 194 CO 0.94 0.82 -0.47 -0.44 0.37 0.00 0.00 175.52 176.75 3fa3 s SER 195 N -7.38 4.54 0.00 4.18 0.01 -1.26 -4.42 113.70 109.38 3fa3 s SER 195 Ca -0.07 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.19 3fa3 s SER 195 Cb 0.06 -0.44 -0.25 0.00 0.21 0.00 0.00 66.02 65.59 3fa3 s SER 195 CO 0.92 -0.59 0.85 -0.09 0.41 0.00 0.00 173.24 174.74 3fa3 h ARG 196 N 1.33 0.12 -0.92 12.44 2.43 -1.93 -3.27 114.38 124.58 3fa3 h ARG 196 Ca -0.42 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.53 3fa3 h ARG 196 Cb 1.26 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3fa3 h ARG 196 CO 0.67 0.90 0.01 0.39 -1.51 0.00 0.00 179.97 180.43 3fa3 n GLU 197 N -3.31 1.76 0.00 0.20 1.02 -1.26 -1.19 120.64 117.87 3fa3 n GLU 197 Ca -0.14 -0.64 0.10 0.00 -0.02 0.00 0.00 57.16 56.46 3fa3 n GLU 197 Cb 1.03 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 3fa3 n GLU 197 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3fa3 n MET 198 N 0.13 0.93 -0.07 3.49 1.56 -1.23 -4.40 117.12 117.54 3fa3 n MET 198 Ca 0.06 -0.57 -0.04 0.00 -0.27 0.00 0.00 57.70 56.88 3fa3 n MET 198 Cb 0.46 -1.44 -0.01 0.00 2.15 0.00 0.00 33.22 34.38 3fa3 n MET 198 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3fa3 h ALA 199 N 3.33 0.00 0.00 -5.12 0.00 -1.31 -2.94 119.26 113.23 3fa3 h ALA 199 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3fa3 h ALA 199 Cb 0.62 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fa3 h ALA 199 CO 0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3fa3 h ARG 200 N -1.00 0.00 0.00 0.00 3.08 -1.87 -0.43 114.38 114.17 3fa3 h ARG 200 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3fa3 h ARG 200 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3fa3 h ARG 200 CO -0.00 0.00 -0.14 0.37 -1.07 0.00 0.00 179.97 179.13 3fa3 h GLN 201 N 0.00 0.00 0.00 0.04 5.75 -1.77 0.27 115.11 119.40 3fa3 h GLN 201 Ca 0.00 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.17 3fa3 h GLN 201 Cb 0.18 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 3fa3 h GLN 201 CO 0.00 0.14 -2.25 0.28 -2.65 0.00 0.00 178.83 174.35 3fa3 n VAL 202 N -3.55 1.25 0.08 2.39 0.31 -0.67 -2.45 118.33 115.69 3fa3 n VAL 202 Ca -0.01 -0.68 0.06 0.00 -0.01 0.00 0.00 64.34 63.70 3fa3 n VAL 202 Cb 0.28 -0.77 0.50 0.00 -0.91 0.00 0.00 33.84 32.93 3fa3 n VAL 202 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3fa3 h ILE 203 N 0.00 1.06 0.26 2.52 2.04 -0.91 -2.02 117.51 120.46 3fa3 h ILE 203 Ca -0.49 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3fa3 h ILE 203 Cb 2.00 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3fa3 h ILE 203 CO -0.01 0.07 -0.12 -0.61 0.00 0.00 0.00 178.15 177.48 3fa3 h GLN 204 N 0.37 -0.33 0.00 2.37 5.75 -0.65 -2.86 115.11 119.76 3fa3 h GLN 204 Ca 0.11 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3fa3 h GLN 204 Cb -0.01 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3fa3 h GLN 204 CO -0.02 -0.22 0.00 -0.25 -2.65 0.00 0.00 178.83 175.68 3fa3 n ASP 205 N -4.64 0.00 -2.18 -0.69 9.92 -1.02 -1.17 116.55 116.76 3fa3 n ASP 205 Ca -0.04 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.20 3fa3 n ASP 205 Cb 0.14 -0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.67 3fa3 n ASP 205 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3fa3 n LEU 206 N -0.85 -0.37 -4.32 0.64 4.77 -0.78 -5.02 117.00 111.07 3fa3 n LEU 206 Ca 0.00 -2.74 -0.38 0.00 -0.03 0.00 0.00 56.01 52.86 3fa3 n LEU 206 Cb 0.00 0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3fa3 n LEU 206 CO 0.00 1.36 -0.41 0.00 -1.33 0.00 0.00 177.39 177.01 3fa3 n ALA 207 N -0.73 -2.56 0.00 -1.18 0.00 -0.32 -2.63 120.51 113.09 3fa3 n ALA 207 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3fa3 n ALA 207 Cb 0.85 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3fa3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 208 N 2.27 1.19 3.42 0.00 0.00 -1.26 -4.93 105.19 105.88 3fa3 n GLY 208 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3fa3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa3 s TRP 209 N -1.47 3.25 -0.03 1.61 -0.00 -1.08 -5.05 118.94 116.16 3fa3 s TRP 209 Ca 0.00 -0.78 -0.39 0.00 -0.00 0.00 0.00 56.10 54.93 3fa3 s TRP 209 Cb 0.00 -2.69 -0.18 0.00 -0.00 0.00 0.00 33.47 30.61 3fa3 s TRP 209 CO 0.00 -0.66 1.34 -2.30 -0.00 0.00 0.00 176.95 175.34 3fa3 n PRO 210 N 5.12 0.75 -3.89 5.86 -0.02 -1.26 -4.70 135.00 136.86 3fa3 n PRO 210 Ca -0.11 0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.41 3fa3 n PRO 210 Cb 0.46 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 0.98 3.27 -0.03 2.45 1.43 -1.26 -1.15 118.68 124.37 3fa3 s LEU 211 Ca 0.90 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3fa3 s LEU 211 Cb -1.10 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 43.38 3fa3 s LEU 211 CO 0.55 -0.53 -0.00 -0.22 0.23 0.00 0.00 176.35 176.38 3fa3 s LEU 212 N -3.98 1.08 -0.16 1.79 0.20 0.40 -0.05 118.68 117.95 3fa3 s LEU 212 Ca 0.43 -0.04 -0.07 0.00 0.69 0.00 0.00 54.13 55.15 3fa3 s LEU 212 Cb -0.00 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.46 3fa3 s LEU 212 CO 0.25 -0.11 0.06 -0.22 -0.29 0.00 0.00 176.35 176.03 3fa3 s LEU 213 N 1.15 3.82 -0.46 -0.68 1.98 -0.79 -4.42 118.68 119.28 3fa3 s LEU 213 Ca -0.08 0.12 -0.14 0.00 -2.89 0.00 0.00 54.13 51.13 3fa3 s LEU 213 Cb -0.13 -1.95 0.07 0.00 0.66 0.00 0.00 46.19 44.83 3fa3 s LEU 213 CO -0.02 0.22 0.36 0.21 -1.89 0.00 0.00 176.35 175.23 3fa3 s ASN 214 N 0.09 6.05 -0.97 3.68 2.47 -1.26 -1.95 114.94 123.04 3fa3 s ASN 214 Ca 0.05 -1.31 -0.16 0.00 0.42 0.00 0.00 52.86 51.86 3fa3 s ASN 214 Cb -0.12 -2.14 0.17 0.00 -1.45 0.00 0.00 41.25 37.71 3fa3 s ASN 214 CO 0.01 -0.60 1.09 -0.32 -3.72 0.00 0.00 177.10 173.56 3fa3 s MET 215 N 1.61 3.75 -0.46 0.43 -2.45 -0.69 -4.87 119.30 116.61 3fa3 s MET 215 Ca 0.04 -2.23 -0.06 0.00 -1.25 0.00 0.00 55.69 52.19 3fa3 s MET 215 Cb -0.23 -4.79 0.12 0.00 1.25 0.00 0.00 34.83 31.18 3fa3 s MET 215 CO 0.06 -1.60 0.30 0.08 1.05 0.00 0.00 175.02 174.91 3fa3 s VAL 216 N 1.47 3.74 0.55 10.11 1.01 -1.26 -4.38 120.40 131.63 3fa3 s VAL 216 Ca 0.31 -2.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.04 3fa3 s VAL 216 Cb -0.06 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3fa3 s VAL 216 CO -0.07 -0.75 1.10 -1.83 0.00 0.00 0.00 175.10 173.54 3fa3 s GLU 217 N 1.08 3.36 -1.41 2.72 -1.05 -1.26 -3.72 118.70 118.42 3fa3 s GLU 217 Ca 0.08 1.49 -0.00 0.00 -0.15 0.00 0.00 54.97 56.39 3fa3 s GLU 217 Cb -0.24 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.44 3fa3 s GLU 217 CO -0.03 -0.82 0.02 0.72 0.95 0.00 0.00 175.26 176.10 3fa3 n HIS 218 N -1.48 -0.83 0.00 4.83 8.25 -1.26 -4.95 115.22 119.78 3fa3 n HIS 218 Ca 0.11 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3fa3 n HIS 218 Cb 0.52 -3.38 0.00 0.00 1.12 0.00 0.00 29.99 28.24 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 -1.03 1.97 0.12 -1.41 0.00 -1.24 -5.06 105.19 98.53 3fa3 n GLY 219 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.98 0.63 -2.83 4.61 0.00 -1.88 -3.47 119.26 117.30 3fa3 h ALA 220 Ca 0.00 -0.62 -0.63 0.00 0.00 0.00 0.00 54.91 53.66 3fa3 h ALA 220 Cb 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 3fa3 h ALA 220 CO 0.00 0.79 -0.33 0.99 0.00 0.00 0.00 179.25 180.71 3fa3 s THR 221 N -2.91 5.23 0.45 0.00 2.01 -1.24 -4.19 115.64 114.99 3fa3 s THR 221 Ca 0.02 0.45 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 3fa3 s THR 221 Cb 0.08 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 3fa3 s THR 221 CO 0.77 0.22 1.36 -2.84 -0.69 0.00 0.00 174.62 173.44 3fa3 s PRO 222 N 1.76 3.70 -0.20 4.92 0.02 -1.26 -4.65 135.00 139.29 3fa3 s PRO 222 Ca 0.13 2.26 -0.43 0.00 0.02 0.00 0.00 61.00 62.98 3fa3 s PRO 222 Cb -0.15 -2.61 -0.20 0.00 0.02 0.00 0.00 34.50 31.56 3fa3 s PRO 222 CO 0.09 -0.75 1.31 0.43 -0.33 0.00 0.00 177.00 177.74 3fa3 n SER 223 N -0.24 0.60 -3.77 2.53 7.64 -1.26 -4.98 113.62 114.15 3fa3 n SER 223 Ca 0.06 1.17 -0.16 0.00 1.01 0.00 0.00 58.87 60.94 3fa3 n SER 223 Cb 0.43 -0.92 -0.16 0.00 -1.01 0.00 0.00 64.21 62.55 3fa3 n SER 223 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fa3 s ILE 224 N 1.28 -0.01 0.46 0.44 1.01 -1.26 -5.10 121.20 118.02 3fa3 s ILE 224 Ca 0.96 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.60 3fa3 s ILE 224 Cb -1.34 -0.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.92 3fa3 s ILE 224 CO 0.66 0.12 1.18 -0.55 0.00 0.00 0.00 174.94 176.35 3fa3 s SER 225 N 1.24 6.13 0.64 3.58 0.15 -1.26 -4.90 113.70 119.28 3fa3 s SER 225 Ca -0.07 2.34 0.30 0.00 0.70 0.00 0.00 55.95 59.22 3fa3 s SER 225 Cb -0.13 -2.61 1.62 0.00 -1.71 0.00 0.00 66.02 63.20 3fa3 s SER 225 CO -0.03 -0.95 1.96 0.00 1.20 0.00 0.00 173.24 175.42 3fa3 h ALA 226 N 2.04 1.61 0.16 5.45 0.00 -2.01 0.12 119.26 126.64 3fa3 h ALA 226 Ca -0.49 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 3fa3 h ALA 226 Cb 1.25 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.06 3fa3 h ALA 226 CO 0.60 -0.42 -1.52 0.00 0.00 0.00 0.00 179.25 177.91 3fa3 h ALA 227 N 1.45 0.14 -0.10 0.00 0.00 -2.00 -2.98 119.26 115.78 3fa3 h ALA 227 Ca 0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 3fa3 h ALA 227 Cb 0.76 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fa3 h ALA 227 CO -0.00 1.01 0.03 1.49 0.00 0.00 0.00 179.25 181.78 3fa3 h GLU 228 N 0.09 0.16 -0.16 0.00 4.81 -1.80 -2.56 114.58 115.12 3fa3 h GLU 228 Ca -0.25 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3fa3 h GLU 228 Cb 2.05 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.38 3fa3 h GLU 228 CO 0.19 0.31 -0.05 0.00 -0.73 0.00 0.00 179.01 178.73 3fa3 h ALA 229 N 0.84 0.09 -0.32 2.92 0.00 -0.90 0.12 119.26 122.01 3fa3 h ALA 229 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3fa3 h ALA 229 Cb 0.22 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3fa3 h ALA 229 CO -0.00 -0.49 -0.28 -0.22 0.00 0.00 0.00 179.25 178.26 3fa3 h LYS 230 N -0.02 -0.24 -0.47 0.00 3.64 -1.37 -2.27 116.57 115.83 3fa3 h LYS 230 Ca 0.08 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3fa3 h LYS 230 Cb 0.14 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3fa3 h LYS 230 CO -0.18 -0.16 -0.16 0.93 -2.27 0.00 0.00 179.45 177.61 3fa3 h GLU 231 N -0.25 0.91 -0.72 1.90 5.08 -1.04 -2.56 114.58 117.92 3fa3 h GLU 231 Ca 0.16 -0.35 0.21 0.00 -1.00 0.00 0.00 59.36 58.38 3fa3 h GLU 231 Cb 0.50 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3fa3 h GLU 231 CO -0.46 1.00 0.74 0.52 -1.00 0.00 0.00 179.01 179.81 3fa3 h MET 232 N 0.81 0.00 0.00 2.33 2.86 -0.17 -3.45 114.93 117.31 3fa3 h MET 232 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3fa3 h MET 232 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3fa3 h MET 232 CO 0.05 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.43 3fa3 n GLY 233 N -1.60 2.38 3.62 8.32 0.00 -0.96 -4.80 105.19 112.16 3fa3 n GLY 233 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3fa3 n GLY 233 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa3 n PHE 234 N -0.42 1.57 -0.02 1.61 0.99 -1.11 -4.70 117.46 115.38 3fa3 n PHE 234 Ca 0.00 0.66 0.03 0.00 -0.00 0.00 0.00 57.45 58.14 3fa3 n PHE 234 Cb 0.00 -2.30 -0.11 0.00 -1.00 0.00 0.00 39.48 36.08 3fa3 n PHE 234 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3fa3 n ARG 235 N 0.68 0.83 -3.91 -1.08 5.12 0.92 -4.39 116.66 114.83 3fa3 n ARG 235 Ca 0.08 -0.09 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 3fa3 n ARG 235 Cb 0.33 -1.33 -0.13 0.00 -1.16 0.00 0.00 32.46 30.18 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 -2.78 0.04 -0.05 0.55 1.01 -0.85 -1.98 121.20 117.13 3fa3 s ILE 236 Ca -0.05 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.28 3fa3 s ILE 236 Cb 0.07 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.43 3fa3 s ILE 236 CO 0.56 -0.20 -0.19 -0.51 0.00 0.00 0.00 174.94 174.60 3fa3 s ILE 237 N -0.58 1.58 0.27 2.92 2.07 -0.21 -1.88 121.20 125.37 3fa3 s ILE 237 Ca -0.06 -0.79 0.08 0.00 -1.41 0.00 0.00 60.65 58.47 3fa3 s ILE 237 Cb -0.04 -1.36 -0.04 0.00 0.13 0.00 0.00 42.46 41.15 3fa3 s ILE 237 CO -0.00 0.45 0.13 0.27 -1.91 0.00 0.00 174.94 173.88 3fa3 s ILE 238 N 0.10 3.92 -0.41 2.00 -4.36 -0.82 -1.48 121.20 120.15 3fa3 s ILE 238 Ca -0.07 -1.60 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 3fa3 s ILE 238 Cb -0.13 -3.16 0.17 0.00 1.25 0.00 0.00 42.46 40.59 3fa3 s ILE 238 CO 0.03 -0.33 0.34 -0.36 0.24 0.00 0.00 174.94 174.86 3fa3 s PHE 239 N -2.24 1.10 0.17 1.37 2.99 -1.14 -1.71 117.98 118.52 3fa3 s PHE 239 Ca 0.33 -2.31 -0.21 0.00 0.00 0.00 0.00 56.93 54.74 3fa3 s PHE 239 Cb -0.07 -0.93 0.10 0.00 0.00 0.00 0.00 43.02 42.12 3fa3 s PHE 239 CO 0.23 -0.83 1.61 -1.35 -0.00 0.00 0.00 175.22 174.88 3fa3 h PRO 240 N 5.69 -0.18 -1.08 0.24 0.11 -1.88 0.80 132.00 135.70 3fa3 h PRO 240 Ca 0.26 0.01 -0.36 0.00 0.11 0.00 0.00 66.00 66.02 3fa3 h PRO 240 Cb 0.91 0.04 -0.20 0.00 0.11 0.00 0.00 31.00 31.87 3fa3 h PRO 240 CO 0.37 -0.12 0.46 1.19 -0.21 0.00 0.00 178.00 179.69 3fa3 n PHE 241 N -5.41 2.00 0.25 0.65 3.72 -1.26 -4.08 117.46 113.34 3fa3 n PHE 241 Ca 0.02 -1.58 0.12 0.00 -0.05 0.00 0.00 57.45 55.96 3fa3 n PHE 241 Cb 0.33 -0.80 0.67 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.42 1.19 0.00 4.37 0.00 -1.55 -3.05 119.26 121.64 3fa3 h ALA 242 Ca 0.41 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3fa3 h ALA 242 Cb 1.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3fa3 h ALA 242 CO 0.79 0.18 -1.44 0.00 0.00 0.00 0.00 179.25 178.78 3fa3 n ALA 243 N -2.25 1.94 0.12 0.00 0.00 -1.20 -4.65 120.51 114.48 3fa3 n ALA 243 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 3fa3 n ALA 243 Cb 0.29 0.34 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.05 -1.20 -0.17 0.00 6.46 -1.81 0.21 115.31 118.76 3fa3 h LEU 244 Ca -0.18 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3fa3 h LEU 244 Cb 1.25 0.45 -0.06 0.00 -0.73 0.00 0.00 40.66 41.57 3fa3 h LEU 244 CO -0.04 -0.49 -0.45 1.23 -0.62 0.00 0.00 178.44 178.07 3fa3 h GLY 245 N -0.65 -1.18 0.44 3.75 0.00 -1.83 0.81 103.07 104.40 3fa3 h GLY 245 Ca 0.02 0.70 0.06 0.00 0.00 0.00 0.00 47.33 48.11 3fa3 h GLY 245 CO -0.23 -0.26 -0.04 -2.55 0.00 0.00 0.00 176.54 173.47 3fa3 h PRO 246 N -0.44 0.05 -0.83 4.80 0.11 -1.76 -1.96 132.00 131.96 3fa3 h PRO 246 Ca 0.03 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.33 3fa3 h PRO 246 Cb 0.54 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 31.53 3fa3 h PRO 246 CO -0.39 0.03 0.32 0.00 -0.21 0.00 0.00 178.00 177.75 3fa3 h ALA 247 N 1.29 1.23 0.56 -0.75 0.00 0.36 0.15 119.26 122.10 3fa3 h ALA 247 Ca 0.15 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3fa3 h ALA 247 Cb 0.22 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fa3 h ALA 247 CO -0.29 -0.29 -0.27 0.28 0.00 0.00 0.00 179.25 178.68 3fa3 h VAL 248 N 0.39 0.00 -0.11 0.00 2.07 -0.45 -1.88 116.25 116.27 3fa3 h VAL 248 Ca 0.49 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.97 3fa3 h VAL 248 Cb 0.86 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3fa3 h VAL 248 CO -0.49 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.28 3fa3 h ALA 249 N -1.58 1.56 -0.08 1.67 0.00 -0.79 -0.25 119.26 119.80 3fa3 h ALA 249 Ca -0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 249 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fa3 h ALA 249 CO 0.13 -0.24 -0.20 0.00 0.00 0.00 0.00 179.25 178.94 3fa3 h ALA 250 N 1.75 0.13 -0.35 0.00 0.00 -0.93 -3.08 119.26 116.79 3fa3 h ALA 250 Ca 0.05 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3fa3 h ALA 250 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fa3 h ALA 250 CO -0.00 0.08 -0.42 0.52 0.00 0.00 0.00 179.25 179.43 3fa3 h MET 251 N -0.20 0.90 -0.54 0.00 2.86 -0.21 0.13 114.93 117.88 3fa3 h MET 251 Ca -0.00 -0.51 0.07 0.00 -2.06 0.00 0.00 59.70 57.21 3fa3 h MET 251 Cb 0.80 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.43 3fa3 h MET 251 CO 0.04 1.15 0.21 -0.09 1.06 0.00 0.00 176.91 179.28 3fa3 h ARG 252 N 0.71 0.38 -0.83 1.72 2.43 -1.52 0.32 114.38 117.59 3fa3 h ARG 252 Ca 0.05 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3fa3 h ARG 252 Cb 1.02 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.44 3fa3 h ARG 252 CO 0.10 0.25 0.53 1.49 -1.51 0.00 0.00 179.97 180.84 3fa3 h GLU 253 N 0.40 1.00 -0.20 0.20 4.57 -1.37 0.16 114.58 119.34 3fa3 h GLU 253 Ca 0.26 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.20 3fa3 h GLU 253 Cb 0.28 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3fa3 h GLU 253 CO -0.25 0.66 -0.60 0.00 -1.18 0.00 0.00 179.01 177.64 3fa3 h ALA 254 N 1.35 0.58 0.03 2.92 0.00 -0.08 -2.57 119.26 121.49 3fa3 h ALA 254 Ca 0.33 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 254 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fa3 h ALA 254 CO -0.12 0.70 -0.01 0.52 0.00 0.00 0.00 179.25 180.33 3fa3 h MET 255 N 0.49 -0.04 -0.91 0.00 2.86 -0.10 -1.37 114.93 115.86 3fa3 h MET 255 Ca -0.00 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.89 3fa3 h MET 255 Cb 1.17 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 3fa3 h MET 255 CO 0.12 0.48 0.64 0.93 1.06 0.00 0.00 176.91 180.14 3fa3 h GLU 256 N -0.58 0.14 0.01 1.72 3.07 -0.69 0.16 114.58 118.41 3fa3 h GLU 256 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3fa3 h GLU 256 Cb 0.54 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3fa3 h GLU 256 CO 0.01 0.09 -0.00 -0.22 -1.40 0.00 0.00 179.01 177.49 3fa3 h LYS 257 N 0.15 -0.01 -0.80 2.33 3.64 -1.30 -2.97 116.57 117.60 3fa3 h LYS 257 Ca 0.45 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.87 3fa3 h LYS 257 Cb 1.55 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.33 3fa3 h LYS 257 CO -0.08 0.83 0.53 1.25 -2.27 0.00 0.00 179.45 179.71 3fa3 h LEU 258 N -0.88 0.85 -2.83 5.20 5.85 -0.77 0.42 115.31 123.16 3fa3 h LEU 258 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fa3 h LEU 258 Cb 0.84 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3fa3 h LEU 258 CO 0.00 0.59 0.04 0.50 -0.34 0.00 0.00 178.44 179.23 3fa3 h LYS 259 N 0.99 0.00 0.00 1.25 1.63 -0.75 -1.33 116.57 118.36 3fa3 h LYS 259 Ca 0.32 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.92 3fa3 h LYS 259 Cb 0.04 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 3fa3 h LYS 259 CO -0.09 0.00 -1.76 0.54 -3.45 0.00 0.00 179.45 174.68 3fa3 n ARG 260 N -3.13 1.83 -0.01 1.90 1.74 0.12 -4.74 116.66 114.37 3fa3 n ARG 260 Ca -0.03 0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3fa3 n ARG 260 Cb 0.11 -1.28 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3fa3 n ARG 260 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fa3 n ASP 261 N -2.51 0.13 0.00 0.55 8.00 0.58 -5.02 116.55 118.28 3fa3 n ASP 261 Ca -0.19 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3fa3 n ASP 261 Cb 0.84 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.64 1.67 3.65 0.44 0.00 -0.50 -5.04 105.19 107.04 3fa3 n GLY 262 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3fa3 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa3 s ILE 263 N -2.00 0.00 0.30 -0.61 1.10 -1.26 -5.07 121.20 113.66 3fa3 s ILE 263 Ca 0.00 0.00 0.12 0.00 -0.51 0.00 0.00 60.65 60.26 3fa3 s ILE 263 Cb 0.00 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.63 3fa3 s ILE 263 CO 0.00 0.00 1.69 -0.65 -2.11 0.00 0.00 174.94 173.87 3fa3 h PRO 264 N 4.54 0.00 -0.81 3.50 0.11 -1.93 -3.39 132.00 134.03 3fa3 h PRO 264 Ca -0.27 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.61 3fa3 h PRO 264 Cb 1.18 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3fa3 h PRO 264 CO 0.20 0.53 -0.23 0.41 -0.21 0.00 0.00 178.00 178.70 3fa3 n GLY 265 N 0.03 0.89 3.19 -0.55 0.00 -1.26 -4.80 105.19 102.69 3fa3 n GLY 265 Ca -0.01 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.35 -4.05 -4.76 0.99 4.77 -1.26 -4.92 117.00 106.41 3fa3 n LEU 266 Ca -0.12 0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 3fa3 n LEU 266 Cb 0.43 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 3fa3 n LEU 266 CO 0.17 -5.05 0.90 -0.62 -1.33 0.00 0.00 177.39 171.46 3fa3 s ASP 267 N -1.03 7.00 0.61 -1.43 -1.08 -1.26 -4.89 116.67 114.58 3fa3 s ASP 267 Ca 0.52 2.49 0.24 0.00 -0.52 0.00 0.00 52.55 55.28 3fa3 s ASP 267 Cb -0.39 -2.64 0.83 0.00 -1.46 0.00 0.00 42.92 39.27 3fa3 s ASP 267 CO 0.71 -0.36 1.27 0.29 0.52 0.00 0.00 175.17 177.59 3fa3 n LYS 268 N 1.11 0.02 0.04 4.34 4.01 -1.26 -0.64 118.16 125.77 3fa3 n LYS 268 Ca -0.00 1.01 -0.11 0.00 -0.51 0.00 0.00 58.31 58.71 3fa3 n LYS 268 Cb 0.43 -2.54 -0.13 0.00 -0.51 0.00 0.00 35.03 32.28 3fa3 n LYS 268 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3fa3 h GLU 269 N 0.00 0.08 -3.91 1.97 4.22 -2.03 -3.38 114.58 111.54 3fa3 h GLU 269 Ca 0.45 -0.14 -0.43 0.00 0.08 0.00 0.00 59.36 59.32 3fa3 h GLU 269 Cb 2.86 0.05 0.03 0.00 0.50 0.00 0.00 28.75 32.20 3fa3 h GLU 269 CO -0.00 0.89 2.26 -1.33 -2.18 0.00 0.00 179.01 178.64 3fa3 n MET 270 N -3.29 1.54 -1.65 1.92 2.81 0.18 -4.71 117.12 113.92 3fa3 n MET 270 Ca -0.11 -1.44 -0.32 0.00 -1.81 0.00 0.00 57.70 54.02 3fa3 n MET 270 Cb 1.01 -2.55 0.05 0.00 -0.71 0.00 0.00 33.22 31.02 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 4.29 3.70 0.25 2.03 -4.23 -1.26 -4.88 115.64 115.54 3fa3 s THR 271 Ca 0.42 0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 61.55 3fa3 s THR 271 Cb 0.11 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.94 3fa3 s THR 271 CO 0.04 -0.63 1.70 -0.65 -0.54 0.00 0.00 174.62 174.54 3fa3 h PRO 272 N -0.40 0.34 -0.36 3.99 0.11 -1.98 -1.75 132.00 131.95 3fa3 h PRO 272 Ca -0.45 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.71 3fa3 h PRO 272 Cb 1.22 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3fa3 h PRO 272 CO 0.55 0.23 -0.02 1.96 -0.21 0.00 0.00 178.00 180.51 3fa3 h GLN 273 N 0.35 0.07 -0.88 1.05 7.50 -1.96 0.83 115.11 122.07 3fa3 h GLN 273 Ca 0.44 -0.00 0.23 0.00 0.50 0.00 0.00 58.65 59.82 3fa3 h GLN 273 Cb 0.74 -0.02 -0.14 0.00 0.05 0.00 0.00 27.48 28.12 3fa3 h GLN 273 CO -0.48 0.05 0.29 1.98 -1.50 0.00 0.00 178.83 179.17 3fa3 h MET 274 N 0.07 0.25 0.30 1.46 4.05 -1.69 0.67 114.93 120.04 3fa3 h MET 274 Ca 0.18 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3fa3 h MET 274 Cb 0.25 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 3fa3 h MET 274 CO -0.32 0.17 -0.15 -0.07 0.23 0.00 0.00 176.91 176.78 3fa3 h LEU 275 N 0.26 -0.34 -1.01 3.39 -0.00 0.15 -2.50 115.31 115.25 3fa3 h LEU 275 Ca 0.56 -0.18 0.09 0.00 -0.00 0.00 0.00 57.88 58.35 3fa3 h LEU 275 Cb 1.11 0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 41.78 3fa3 h LEU 275 CO -0.62 0.02 0.64 -0.26 -0.00 0.00 0.00 178.44 178.23 3fa3 h PHE 276 N -0.75 1.18 -0.34 1.13 0.05 -0.71 -0.87 116.94 116.63 3fa3 h PHE 276 Ca -0.04 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.84 3fa3 h PHE 276 Cb 0.50 -0.38 -0.05 0.00 2.00 0.00 0.00 35.95 38.02 3fa3 h PHE 276 CO 0.02 0.54 0.00 -0.09 -0.18 0.00 0.00 178.31 178.61 3fa3 h ARG 277 N 1.09 0.10 -0.26 1.51 9.65 0.40 0.23 114.38 127.10 3fa3 h ARG 277 Ca 0.46 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.41 3fa3 h ARG 277 Cb 0.32 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3fa3 h ARG 277 CO -0.22 0.06 0.55 0.28 2.80 0.00 0.00 179.97 183.45 3fa3 h VAL 278 N 0.10 0.13 -0.55 0.20 2.07 -0.69 -0.75 116.25 116.76 3fa3 h VAL 278 Ca 0.17 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.32 3fa3 h VAL 278 Cb 0.23 0.51 -0.24 0.00 -1.52 0.00 0.00 31.29 30.27 3fa3 h VAL 278 CO -0.28 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.05 3fa3 n GLY 280 N -0.95 -0.06 0.34 0.00 0.00 -0.29 -4.91 105.19 99.32 3fa3 n GLY 280 Ca 0.40 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.83 0.87 -0.61 0.99 5.85 -1.32 -2.03 115.31 117.23 3fa3 h LEU 281 Ca -0.38 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 3fa3 h LEU 281 Cb 1.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3fa3 h LEU 281 CO 0.38 0.53 0.19 0.44 -0.34 0.00 0.00 178.44 179.63 3fa3 h ASP 282 N 0.99 0.89 -0.21 1.25 3.32 -1.85 0.14 116.42 120.94 3fa3 h ASP 282 Ca 0.42 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3fa3 h ASP 282 Cb 0.27 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3fa3 h ASP 282 CO -0.21 0.87 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.56 3fa3 h GLU 283 N 0.87 0.58 -0.60 3.56 3.07 -1.92 -1.44 114.58 118.71 3fa3 h GLU 283 Ca 0.20 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3fa3 h GLU 283 Cb 0.30 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3fa3 h GLU 283 CO -0.01 0.94 0.37 0.77 -1.40 0.00 0.00 179.01 179.68 3fa3 h SER 284 N 0.26 0.71 0.79 1.42 0.02 -0.87 0.57 113.55 116.44 3fa3 h SER 284 Ca 0.02 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3fa3 h SER 284 Cb 0.87 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3fa3 h SER 284 CO 0.07 0.54 0.00 0.23 -1.14 0.00 0.00 176.83 176.53 3fa3 n MET 285 N -4.64 0.20 0.05 3.45 2.81 0.43 -2.09 117.12 117.33 3fa3 n MET 285 Ca 0.04 0.40 -0.23 0.00 -1.81 0.00 0.00 57.70 56.11 3fa3 n MET 285 Cb 0.04 -1.86 -0.15 0.00 -0.71 0.00 0.00 33.22 30.55 3fa3 n MET 285 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3fa3 h LYS 286 N 0.00 0.36 -0.86 0.03 1.63 -0.21 -2.79 116.57 114.73 3fa3 h LYS 286 Ca 0.00 -0.61 0.04 0.00 -0.85 0.00 0.00 60.65 59.23 3fa3 h LYS 286 Cb 0.39 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 3fa3 h LYS 286 CO 0.00 1.29 0.56 0.28 -3.45 0.00 0.00 179.45 178.14 3fa3 h VAL 287 N 0.06 1.12 -0.03 2.00 2.07 -0.37 0.27 116.25 121.37 3fa3 h VAL 287 Ca -0.36 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 3fa3 h VAL 287 Cb 2.05 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3fa3 h VAL 287 CO 0.15 0.19 -0.44 -0.78 0.02 0.00 0.00 177.57 176.71 3fa3 h ASP 288 N 1.04 0.06 0.29 0.57 1.82 -1.51 -3.04 116.42 115.65 3fa3 h ASP 288 Ca 0.35 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 3fa3 h ASP 288 Cb 0.07 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.06 3fa3 h ASP 288 CO -0.11 0.49 -0.14 0.00 -1.61 0.00 0.00 179.24 177.87 3fa3 h ALA 289 N 1.51 -0.39 -0.77 -0.78 0.00 -0.95 -1.44 119.26 116.44 3fa3 h ALA 289 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 289 Cb 0.79 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3fa3 h ALA 289 CO 0.06 -0.49 0.35 1.96 0.00 0.00 0.00 179.25 181.12 3fa3 h GLN 290 N -0.84 0.51 -0.91 0.00 4.20 -0.55 -1.15 115.11 116.36 3fa3 h GLN 290 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3fa3 h GLN 290 Cb 0.52 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3fa3 h GLN 290 CO 0.06 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.56 3fa3 n ALA 291 N -2.47 2.36 -1.33 3.87 0.00 -1.15 -4.80 120.51 116.99 3fa3 n ALA 291 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 3fa3 n ALA 291 Cb 0.39 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 0.06 1.21 3.88 0.00 0.00 -0.43 -4.99 105.19 104.91 3fa3 n GLY 292 Ca 0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3fa3 n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fa3 s GLY 293 N -2.64 2.29 -0.36 -0.02 0.00 -0.54 -5.03 107.32 101.01 3fa3 s GLY 293 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.28 3fa3 s GLY 293 CO 0.00 -0.30 1.46 0.00 0.00 0.00 0.00 173.10 174.26 3fa3 n ALA 294 N 1.02 5.00 1.22 3.20 0.00 -1.26 -4.21 120.51 125.46 3fa3 n ALA 294 Ca -0.10 -3.48 0.13 0.00 0.00 0.00 0.00 53.44 49.99 3fa3 n ALA 294 Cb 0.53 -0.76 0.49 0.00 0.00 0.00 0.00 19.45 19.70 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 295 N -0.92 2.92 -0.11 0.00 0.00 -1.26 -3.19 120.51 117.95 3fa3 n ALA 295 Ca 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3fa3 n ALA 295 Cb 0.93 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3fa3 n ALA 295 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fa3 n PHE 296 N -1.14 0.00 -1.64 0.00 3.01 -1.26 -4.98 117.46 111.44 3fa3 n PHE 296 Ca 0.11 -0.43 -0.65 0.00 1.01 0.00 0.00 57.45 57.49 3fa3 n PHE 296 Cb 0.31 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.64 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa3 n ASP 297 N -0.43 1.30 0.00 4.37 9.92 -1.19 -0.60 116.55 129.92 3fa3 n ASP 297 Ca 0.00 1.06 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 3fa3 n ASP 297 Cb 0.27 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fa3 n GLY 298 N 4.75 3.40 0.00 0.44 0.00 -1.26 -4.97 105.19 107.55 3fa3 n GLY 298 Ca 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N 0.00 0.59 0.27 -0.02 0.00 0.23 -4.79 105.19 101.47 3fa3 n GLY 299 Ca 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.99 3fa3 n GLY 299 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa3 n VAL 300 N 0.41 0.00 -3.64 1.61 0.31 -1.26 -4.97 118.33 110.79 3fa3 n VAL 300 Ca 0.00 -0.39 -0.37 0.00 -0.01 0.00 0.00 64.34 63.57 3fa3 n VAL 300 Cb 0.00 1.14 -0.06 0.00 -0.91 0.00 0.00 33.84 34.00 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3fa3 s ASP 301 N -1.46 6.51 0.00 4.52 1.11 -1.26 -5.07 116.67 121.03 3fa3 s ASP 301 Ca 0.10 0.61 0.18 0.00 0.18 0.00 0.00 52.55 53.61 3fa3 s ASP 301 Cb 0.09 -2.16 0.14 0.00 1.07 0.00 0.00 42.92 42.06 3fa3 s ASP 301 CO 0.28 0.26 1.06 0.00 1.18 0.00 0.00 175.17 177.95