#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s MET 3 N 0.00 3.40 0.02 0.54 1.75 -1.26 -5.09 119.30 118.66 3fa4 s MET 3 Ca 0.00 -0.65 0.08 0.00 -1.25 0.00 0.00 55.69 53.87 3fa4 s MET 3 Cb 0.00 -2.80 -0.02 0.00 2.84 0.00 0.00 34.83 34.85 3fa4 s MET 3 CO 0.00 0.05 -0.24 0.08 -0.65 0.00 0.00 175.02 174.26 3fa4 s VAL 4 N 0.79 1.92 0.19 10.11 1.01 -1.26 -5.14 120.40 128.02 3fa4 s VAL 4 Ca -0.03 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.84 3fa4 s VAL 4 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3fa4 s VAL 4 CO 0.01 0.40 -0.05 0.28 0.00 0.00 0.00 175.10 175.75 3fa4 s THR 5 N -0.70 3.43 -1.37 3.92 -1.32 -1.26 -5.00 115.64 113.34 3fa4 s THR 5 Ca 0.10 -1.61 0.28 0.00 -1.21 0.00 0.00 61.69 59.25 3fa4 s THR 5 Cb -0.09 -2.73 0.32 0.00 -1.51 0.00 0.00 72.50 68.49 3fa4 s THR 5 CO 0.01 -0.15 1.80 0.00 -2.21 0.00 0.00 174.62 174.07 3fa4 n ALA 6 N -0.15 2.80 -0.30 11.08 0.00 -1.26 -3.24 120.51 129.44 3fa4 n ALA 6 Ca -0.10 -0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.13 3fa4 n ALA 6 Cb 0.56 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.90 3fa4 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 h ALA 7 N 3.35 1.48 0.50 0.00 0.00 -1.79 -1.18 119.26 121.62 3fa4 h ALA 7 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fa4 h ALA 7 Cb 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fa4 h ALA 7 CO 0.00 0.41 -0.24 1.15 0.00 0.00 0.00 179.25 180.58 3fa4 h THR 8 N 1.07 0.50 -0.72 0.00 2.02 -1.82 -0.38 112.91 113.57 3fa4 h THR 8 Ca 0.37 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 3fa4 h THR 8 Cb 0.10 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3fa4 h THR 8 CO -0.12 0.02 0.31 0.77 0.37 0.00 0.00 175.52 176.87 3fa4 h SER 9 N -0.75 0.97 -0.50 4.18 4.64 -1.74 -1.54 113.55 118.81 3fa4 h SER 9 Ca -0.07 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3fa4 h SER 9 Cb 0.55 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3fa4 h SER 9 CO 0.11 0.85 0.32 0.25 -0.87 0.00 0.00 176.83 177.49 3fa4 h LEU 10 N 1.04 0.58 -0.54 5.97 5.85 -1.12 -2.58 115.31 124.51 3fa4 h LEU 10 Ca 0.25 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3fa4 h LEU 10 Cb 0.17 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3fa4 h LEU 10 CO -0.02 0.44 0.06 -0.09 -0.34 0.00 0.00 178.44 178.48 3fa4 h ARG 11 N 0.68 0.17 -0.15 1.25 2.43 -0.38 -1.69 114.38 116.69 3fa4 h ARG 11 Ca 0.18 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3fa4 h ARG 11 Cb -0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3fa4 h ARG 11 CO -0.04 0.11 -0.37 0.00 -1.51 0.00 0.00 179.97 178.16 3fa4 h ARG 12 N 0.18 0.31 -0.19 0.20 3.08 -1.10 -2.87 114.38 113.99 3fa4 h ARG 12 Ca 0.28 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3fa4 h ARG 12 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3fa4 h ARG 12 CO -0.41 0.64 0.12 0.00 -1.07 0.00 0.00 179.97 179.25 3fa4 h ALA 13 N 1.35 0.24 0.00 0.04 0.00 -1.02 -1.86 119.26 118.00 3fa4 h ALA 13 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fa4 h ALA 13 Cb 0.78 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fa4 h ALA 13 CO 0.06 -0.27 -0.07 -0.07 0.00 0.00 0.00 179.25 178.90 3fa4 h LEU 14 N 0.25 0.00 -0.52 0.00 3.38 -1.15 -1.29 115.31 115.97 3fa4 h LEU 14 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3fa4 h LEU 14 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3fa4 h LEU 14 CO -0.01 0.07 -0.74 -0.33 0.09 0.00 0.00 178.44 177.52 3fa4 h GLU 15 N 0.00 0.03 -6.27 1.13 5.08 -1.15 -3.41 114.58 109.98 3fa4 h GLU 15 Ca -0.00 -0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.76 3fa4 h GLU 15 Cb 0.18 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3fa4 h GLU 15 CO 0.01 0.75 0.92 1.21 -1.00 0.00 0.00 179.01 180.90 3fa4 s ASN 16 N -6.82 6.83 0.27 1.42 3.84 -0.49 -4.91 114.94 115.08 3fa4 s ASN 16 Ca -0.01 1.31 0.21 0.00 0.21 0.00 0.00 52.86 54.59 3fa4 s ASN 16 Cb 0.12 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 39.31 3fa4 s ASN 16 CO 0.78 -0.93 1.65 -0.81 -2.79 0.00 0.00 177.10 175.00 3fa4 n PRO 17 N 6.97 0.15 0.13 0.43 -0.04 -1.26 -2.51 135.00 138.87 3fa4 n PRO 17 Ca 0.14 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 3fa4 n PRO 17 Cb 0.46 -1.89 0.03 0.00 -0.04 0.00 0.00 33.50 32.06 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3fa4 h ASP 18 N 0.00 0.00 -3.26 3.54 3.32 -1.90 -3.48 116.42 114.63 3fa4 h ASP 18 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3fa4 h ASP 18 Cb 0.15 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.73 3fa4 h ASP 18 CO 0.00 0.02 0.66 -0.44 -1.72 0.00 0.00 179.24 177.76 3fa4 s SER 19 N -5.56 6.89 -0.09 6.45 0.01 -1.04 -5.03 113.70 115.33 3fa4 s SER 19 Ca 0.01 2.35 0.01 0.00 1.31 0.00 0.00 55.95 59.63 3fa4 s SER 19 Cb 0.09 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.73 3fa4 s SER 19 CO 0.77 -0.56 -0.11 0.12 0.41 0.00 0.00 173.24 173.87 3fa4 s PHE 20 N 0.46 1.56 -0.25 2.43 5.36 -1.26 -4.86 117.98 121.41 3fa4 s PHE 20 Ca 0.59 -0.67 -0.08 0.00 -0.96 0.00 0.00 56.93 55.81 3fa4 s PHE 20 Cb -0.36 -1.18 -0.03 0.00 -0.34 0.00 0.00 43.02 41.11 3fa4 s PHE 20 CO 0.35 -0.39 0.08 0.42 -1.46 0.00 0.00 175.22 174.23 3fa4 s ILE 21 N 1.05 4.43 -0.26 3.12 -1.09 -0.46 -5.00 121.20 122.99 3fa4 s ILE 21 Ca -0.07 -0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.14 3fa4 s ILE 21 Cb -0.15 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3fa4 s ILE 21 CO -0.01 0.33 0.11 -0.69 -1.23 0.00 0.00 174.94 173.45 3fa4 s VAL 22 N 1.63 4.61 -0.36 2.92 1.01 -1.26 -0.58 120.40 128.37 3fa4 s VAL 22 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3fa4 s VAL 22 Cb -0.15 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 33.14 3fa4 s VAL 22 CO 0.05 0.28 0.09 0.00 0.00 0.00 0.00 175.10 175.51 3fa4 s ALA 23 N 1.65 2.66 0.52 5.51 0.00 -0.59 -3.72 121.76 127.80 3fa4 s ALA 23 Ca 0.06 -2.45 -0.21 0.00 0.00 0.00 0.00 51.96 49.37 3fa4 s ALA 23 Cb -0.16 -1.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 3fa4 s ALA 23 CO 0.06 -1.73 1.16 -1.25 0.00 0.00 0.00 175.76 174.00 3fa4 s PRO 24 N 0.90 3.43 -0.09 0.00 0.04 -1.26 -2.65 135.00 135.36 3fa4 s PRO 24 Ca 0.12 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3fa4 s PRO 24 Cb -0.20 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3fa4 s PRO 24 CO -0.10 -0.82 1.40 0.20 0.04 0.00 0.00 177.00 177.72 3fa4 s GLY 25 N -1.57 1.68 0.22 0.56 0.00 0.48 -1.23 107.32 107.46 3fa4 s GLY 25 Ca 0.70 0.69 0.09 0.00 0.00 0.00 0.00 44.72 46.21 3fa4 s GLY 25 CO 0.31 2.64 -0.18 -1.34 0.00 0.00 0.00 173.10 174.54 3fa4 s VAL 26 N 3.37 2.02 0.00 1.40 -7.23 0.11 -2.61 120.40 117.45 3fa4 s VAL 26 Ca 0.62 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3fa4 s VAL 26 Cb -0.27 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3fa4 s VAL 26 CO 0.22 -0.45 0.00 0.00 -0.31 0.00 0.00 175.10 174.56 3fa4 n TYR 27 N -0.27 0.00 -3.24 2.82 4.11 -1.26 -2.54 117.16 116.79 3fa4 n TYR 27 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.79 3fa4 n TYR 27 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.94 3fa4 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa4 n ASP 28 N -0.09 -0.56 -0.10 9.48 5.75 -1.26 -4.42 116.55 125.35 3fa4 n ASP 28 Ca 0.00 -1.38 -0.13 0.00 -0.01 0.00 0.00 54.79 53.27 3fa4 n ASP 28 Cb 0.00 0.93 -0.01 0.00 -1.03 0.00 0.00 41.12 41.00 3fa4 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa4 h GLY 29 N 0.49 0.97 0.71 6.12 0.00 -1.96 -2.94 103.07 106.46 3fa4 h GLY 29 Ca -0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.18 3fa4 h GLY 29 CO 0.10 0.93 -0.34 1.41 0.00 0.00 0.00 176.54 178.64 3fa4 h LEU 30 N 0.71 -0.80 -0.94 3.11 3.38 -1.98 -1.17 115.31 117.62 3fa4 h LEU 30 Ca 0.05 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.23 3fa4 h LEU 30 Cb 1.03 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.88 3fa4 h LEU 30 CO 0.10 -0.53 0.52 0.77 0.09 0.00 0.00 178.44 179.39 3fa4 h SER 31 N -1.03 0.63 0.16 -0.43 4.64 -1.98 0.11 113.55 115.65 3fa4 h SER 31 Ca -0.10 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3fa4 h SER 31 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3fa4 h SER 31 CO 0.16 0.21 -0.08 0.00 -0.87 0.00 0.00 176.83 176.25 3fa4 h ALA 32 N 1.63 -0.22 -0.59 5.18 0.00 -1.51 -2.14 119.26 121.61 3fa4 h ALA 32 Ca 0.54 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.40 3fa4 h ALA 32 Cb 0.85 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3fa4 h ALA 32 CO -0.40 -0.59 0.36 0.00 0.00 0.00 0.00 179.25 178.62 3fa4 h ARG 33 N -0.29 0.68 -0.47 0.00 2.47 -0.36 -1.88 114.38 114.53 3fa4 h ARG 33 Ca -0.02 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 3fa4 h ARG 33 Cb 0.23 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3fa4 h ARG 33 CO 0.04 0.45 -0.04 0.28 0.56 0.00 0.00 179.97 181.25 3fa4 h VAL 34 N 0.70 1.25 -0.24 2.04 2.07 -0.77 -1.59 116.25 119.71 3fa4 h VAL 34 Ca 0.24 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.55 3fa4 h VAL 34 Cb 0.05 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3fa4 h VAL 34 CO -0.11 0.37 -0.43 0.00 0.02 0.00 0.00 177.57 177.42 3fa4 h ALA 35 N 1.21 0.80 -0.05 1.67 0.00 -1.27 -2.72 119.26 118.89 3fa4 h ALA 35 Ca 0.14 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 3fa4 h ALA 35 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3fa4 h ALA 35 CO 0.03 0.66 -0.73 -0.07 0.00 0.00 0.00 179.25 179.13 3fa4 h LEU 36 N 0.48 0.35 -1.79 0.00 3.38 -1.19 -2.44 115.31 114.10 3fa4 h LEU 36 Ca 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3fa4 h LEU 36 Cb 0.95 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3fa4 h LEU 36 CO 0.08 0.96 -0.09 0.28 0.09 0.00 0.00 178.44 179.77 3fa4 h SER 37 N 0.19 0.00 0.64 -0.43 0.02 -1.29 -2.55 113.55 110.13 3fa4 h SER 37 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3fa4 h SER 37 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3fa4 h SER 37 CO 0.12 0.09 -0.13 0.00 -1.14 0.00 0.00 176.83 175.77 3fa4 n ALA 38 N -2.19 2.72 0.00 3.77 0.00 -0.92 -4.96 120.51 118.94 3fa4 n ALA 38 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3fa4 n ALA 38 Cb 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3fa4 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 39 N 1.40 0.95 3.77 0.00 0.00 -0.96 -5.10 105.19 105.25 3fa4 n GLY 39 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3fa4 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 40 N -2.00 2.71 -0.16 1.61 0.40 -1.22 -4.98 117.98 114.34 3fa4 s PHE 40 Ca 0.00 1.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 3fa4 s PHE 40 Cb 0.00 -3.38 0.03 0.00 0.51 0.00 0.00 43.02 40.18 3fa4 s PHE 40 CO 0.00 -1.68 0.78 -0.25 0.70 0.00 0.00 175.22 174.77 3fa4 n ASP 41 N -0.96 1.61 -3.92 1.36 8.00 -1.26 -4.79 116.55 116.60 3fa4 n ASP 41 Ca 0.10 -1.52 -0.09 0.00 0.71 0.00 0.00 54.79 53.99 3fa4 n ASP 41 Cb 0.49 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 3fa4 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 s ALA 42 N -0.55 -0.06 0.21 2.24 0.00 -1.24 -4.28 121.76 118.08 3fa4 s ALA 42 Ca 0.02 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3fa4 s ALA 42 Cb 0.01 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 3fa4 s ALA 42 CO 0.02 -0.56 -0.10 -0.51 0.00 0.00 0.00 175.76 174.60 3fa4 s LEU 43 N -2.91 2.50 -0.16 0.00 1.43 -0.54 -4.10 118.68 114.89 3fa4 s LEU 43 Ca 0.11 -1.08 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 3fa4 s LEU 43 Cb 0.04 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.73 3fa4 s LEU 43 CO -0.06 -0.27 -0.06 -0.47 0.23 0.00 0.00 176.35 175.72 3fa4 s TYR 44 N -3.08 1.76 -0.61 0.29 5.04 -0.37 -0.91 117.35 119.47 3fa4 s TYR 44 Ca 0.24 -1.09 -0.26 0.00 -2.44 0.00 0.00 57.07 53.51 3fa4 s TYR 44 Cb 0.01 -1.35 0.04 0.00 0.35 0.00 0.00 41.96 41.01 3fa4 s TYR 44 CO 0.07 -0.62 1.12 1.41 -1.34 0.00 0.00 175.55 176.20 3fa4 s MET 45 N 1.62 3.37 0.18 4.97 -2.45 0.63 0.04 119.30 127.66 3fa4 s MET 45 Ca 0.01 -0.07 -0.30 0.00 -1.25 0.00 0.00 55.69 54.09 3fa4 s MET 45 Cb -0.15 -4.07 -0.08 0.00 1.25 0.00 0.00 34.83 31.78 3fa4 s MET 45 CO -0.08 -1.73 1.14 -0.08 1.05 0.00 0.00 175.02 175.33 3fa4 s THR 46 N 4.76 3.73 0.02 10.11 -1.32 -1.05 -2.55 115.64 129.34 3fa4 s THR 46 Ca 0.36 1.48 0.10 0.00 -1.21 0.00 0.00 61.69 62.43 3fa4 s THR 46 Cb -0.10 -3.94 -0.16 0.00 -1.51 0.00 0.00 72.50 66.79 3fa4 s THR 46 CO 0.21 0.25 1.16 1.23 -2.21 0.00 0.00 174.62 175.25 3fa4 h GLY 47 N 5.15 0.00 0.94 6.08 0.00 -1.91 -1.67 103.07 111.66 3fa4 h GLY 47 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3fa4 h GLY 47 CO 0.73 0.00 0.11 0.00 0.00 0.00 0.00 176.54 177.38 3fa4 h ALA 48 N 1.13 0.54 -0.57 3.60 0.00 -1.96 0.26 119.26 122.26 3fa4 h ALA 48 Ca -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3fa4 h ALA 48 Cb 1.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3fa4 h ALA 48 CO 0.10 0.20 0.20 0.78 0.00 0.00 0.00 179.25 180.53 3fa4 h GLY 49 N 0.52 0.93 0.72 0.00 0.00 -1.91 -1.11 103.07 102.22 3fa4 h GLY 49 Ca 0.13 -0.53 0.06 0.00 0.00 0.00 0.00 47.33 46.98 3fa4 h GLY 49 CO -0.00 0.50 0.47 -0.84 0.00 0.00 0.00 176.54 176.67 3fa4 h THR 50 N 0.79 1.02 -0.40 4.70 2.02 -1.12 -0.51 112.91 119.42 3fa4 h THR 50 Ca 0.19 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 3fa4 h THR 50 Cb 0.25 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3fa4 h THR 50 CO -0.01 0.16 -0.11 0.00 0.37 0.00 0.00 175.52 175.92 3fa4 h ALA 51 N 1.37 1.05 -0.08 6.16 0.00 -0.06 -0.96 119.26 126.75 3fa4 h ALA 51 Ca 0.34 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 51 Cb 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fa4 h ALA 51 CO -0.17 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.32 3fa4 h ALA 52 N 1.23 0.15 0.36 0.00 0.00 -0.93 -0.76 119.26 119.32 3fa4 h ALA 52 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3fa4 h ALA 52 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fa4 h ALA 52 CO 0.04 0.22 -0.17 1.03 0.00 0.00 0.00 179.25 180.36 3fa4 h SER 53 N -0.09 -0.41 -0.88 0.00 0.87 -1.12 0.04 113.55 111.96 3fa4 h SER 53 Ca -0.02 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 3fa4 h SER 53 Cb 0.97 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.97 3fa4 h SER 53 CO 0.07 -0.06 0.53 0.58 -0.53 0.00 0.00 176.83 177.42 3fa4 h VAL 54 N -0.95 0.97 0.00 2.23 2.07 -1.35 -3.37 116.25 115.84 3fa4 h VAL 54 Ca -0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3fa4 h VAL 54 Cb 0.37 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3fa4 h VAL 54 CO 0.08 0.17 -0.70 1.41 0.02 0.00 0.00 177.57 178.55 3fa4 n HIS 55 N -4.67 0.00 -2.24 1.57 8.25 -0.99 -5.04 115.22 112.11 3fa4 n HIS 55 Ca 0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.57 3fa4 n HIS 55 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3fa4 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 56 N 1.96 0.38 3.28 -1.41 0.00 0.00 -4.98 105.19 104.42 3fa4 n GLY 56 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 3fa4 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fa4 s GLN 57 N -4.46 1.23 0.93 1.61 -1.52 -1.03 -4.95 119.66 111.46 3fa4 s GLN 57 Ca 0.03 -1.61 -0.12 0.00 -1.95 0.00 0.00 55.36 51.71 3fa4 s GLN 57 Cb -0.01 -0.42 0.15 0.00 -0.22 0.00 0.00 33.01 32.51 3fa4 s GLN 57 CO 0.03 -0.12 1.12 0.00 -0.25 0.00 0.00 175.29 176.07 3fa4 s ALA 58 N -3.56 1.55 -1.15 6.09 0.00 -1.26 -3.42 121.76 120.01 3fa4 s ALA 58 Ca 0.27 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 3fa4 s ALA 58 Cb 0.06 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 3fa4 s ALA 58 CO 0.07 -2.42 1.79 0.34 0.00 0.00 0.00 175.76 175.54 3fa4 s ASP 59 N -3.84 5.92 -0.10 0.00 3.68 -1.26 -4.68 116.67 116.38 3fa4 s ASP 59 Ca 0.64 -1.75 0.14 0.00 2.13 0.00 0.00 52.55 53.72 3fa4 s ASP 59 Cb -0.16 -2.58 0.31 0.00 -1.45 0.00 0.00 42.92 39.04 3fa4 s ASP 59 CO 0.55 -2.11 1.15 0.18 0.13 0.00 0.00 175.17 175.07 3fa4 n LEU 60 N 11.33 1.66 -1.30 -1.34 4.77 -1.26 -4.99 117.00 125.88 3fa4 n LEU 60 Ca 0.44 -2.66 -0.10 0.00 -0.03 0.00 0.00 56.01 53.65 3fa4 n LEU 60 Cb 0.47 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3fa4 n LEU 60 CO 0.69 0.78 -0.08 0.61 -1.33 0.00 0.00 177.39 178.07 3fa4 n GLY 61 N -0.58 0.02 0.63 -0.72 0.00 -1.26 -4.94 105.19 98.34 3fa4 n GLY 61 Ca 0.11 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3fa4 n GLY 61 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fa4 n ILE 62 N -3.94 0.00 -3.83 -0.61 -6.64 -1.26 -4.83 119.36 98.25 3fa4 n ILE 62 Ca -0.09 -0.33 -0.37 0.00 -1.77 0.00 0.00 62.75 60.19 3fa4 n ILE 62 Cb 0.58 1.13 -0.06 0.00 -1.44 0.00 0.00 39.64 39.84 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3fa4 s THR 64 N -0.98 2.53 0.18 0.00 2.01 -1.26 -4.91 115.64 113.21 3fa4 s THR 64 Ca 0.16 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 3fa4 s THR 64 Cb -0.13 -2.67 0.09 0.00 0.01 0.00 0.00 72.50 69.80 3fa4 s THR 64 CO 0.05 0.00 1.79 0.25 -0.69 0.00 0.00 174.62 176.01 3fa4 h LEU 65 N 0.18 0.78 -0.22 4.42 5.85 -1.98 -2.74 115.31 121.60 3fa4 h LEU 65 Ca -0.37 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3fa4 h LEU 65 Cb 1.28 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 3fa4 h LEU 65 CO 0.44 0.66 -0.41 0.78 -0.34 0.00 0.00 178.44 179.58 3fa4 h ASN 66 N 0.84 -1.32 -0.66 1.25 4.21 -1.98 0.11 115.58 118.04 3fa4 h ASN 66 Ca 0.22 0.19 0.12 0.00 1.21 0.00 0.00 56.30 58.03 3fa4 h ASN 66 Cb 0.06 0.55 -0.13 0.00 -1.12 0.00 0.00 38.32 37.69 3fa4 h ASN 66 CO -0.03 -0.40 -0.27 0.44 -1.29 0.00 0.00 177.43 175.88 3fa4 h ASP 67 N -0.42 -0.96 0.41 5.81 3.32 -1.92 -1.36 116.42 121.29 3fa4 h ASP 67 Ca 0.10 0.23 -0.29 0.00 0.02 0.00 0.00 57.03 57.08 3fa4 h ASP 67 Cb 0.60 0.53 0.02 0.00 0.22 0.00 0.00 39.33 40.70 3fa4 h ASP 67 CO -0.45 -0.28 -1.30 0.24 -1.72 0.00 0.00 179.24 175.74 3fa4 h MET 68 N -0.09 0.42 -0.49 3.56 2.86 -1.32 -2.96 114.93 116.92 3fa4 h MET 68 Ca 0.29 -0.67 -0.13 0.00 -2.06 0.00 0.00 59.70 57.13 3fa4 h MET 68 Cb 0.54 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3fa4 h MET 68 CO -0.72 1.31 -0.21 -0.09 1.06 0.00 0.00 176.91 178.26 3fa4 h ARG 69 N 0.14 0.99 -0.52 1.72 1.12 -0.76 -2.30 114.38 114.78 3fa4 h ARG 69 Ca -0.18 -0.42 -0.11 0.00 -1.11 0.00 0.00 59.98 58.16 3fa4 h ARG 69 Cb 2.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.90 3fa4 h ARG 69 CO 0.23 1.09 -0.11 0.00 -3.11 0.00 0.00 179.97 178.08 3fa4 h ALA 70 N 0.89 0.72 -0.39 2.80 0.00 -1.32 -1.95 119.26 120.01 3fa4 h ALA 70 Ca 0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3fa4 h ALA 70 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3fa4 h ALA 70 CO 0.07 0.63 -0.17 -0.97 0.00 0.00 0.00 179.25 178.80 3fa4 h ASN 71 N 0.87 0.74 -0.06 0.00 -1.24 -1.48 -2.18 115.58 112.23 3fa4 h ASN 71 Ca 0.13 -0.24 -0.23 0.00 0.71 0.00 0.00 56.30 56.67 3fa4 h ASN 71 Cb 0.67 -0.20 0.02 0.00 0.73 0.00 0.00 38.32 39.54 3fa4 h ASN 71 CO 0.05 0.92 -0.86 0.00 -1.29 0.00 0.00 177.43 176.25 3fa4 h ALA 72 N 1.14 0.18 -0.84 1.57 0.00 -1.43 -2.57 119.26 117.32 3fa4 h ALA 72 Ca 0.10 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.41 3fa4 h ALA 72 Cb 0.66 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3fa4 h ALA 72 CO 0.05 0.62 0.54 1.49 0.00 0.00 0.00 179.25 181.95 3fa4 h GLU 73 N 0.36 1.03 0.00 0.00 4.81 -1.37 -0.12 114.58 119.29 3fa4 h GLU 73 Ca -0.09 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 3fa4 h GLU 73 Cb 1.51 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 3fa4 h GLU 73 CO 0.17 0.68 -0.61 0.00 -0.73 0.00 0.00 179.01 178.52 3fa4 h MET 74 N 1.06 0.00 -0.12 1.92 -0.00 -1.35 -2.94 114.93 113.51 3fa4 h MET 74 Ca 0.33 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.82 3fa4 h MET 74 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 3fa4 h MET 74 CO -0.11 0.61 -0.79 0.82 -0.00 0.00 0.00 176.91 177.43 3fa4 h ILE 75 N 0.00 1.31 0.00 -0.10 2.04 -1.41 -2.73 117.51 116.62 3fa4 h ILE 75 Ca -0.01 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3fa4 h ILE 75 Cb 1.29 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3fa4 h ILE 75 CO 0.08 0.64 0.00 0.28 0.00 0.00 0.00 178.15 179.15 3fa4 h SER 76 N 0.45 0.00 -0.10 1.72 0.02 -1.00 -3.01 113.55 111.63 3fa4 h SER 76 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3fa4 h SER 76 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3fa4 h SER 76 CO 0.15 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.43 3fa4 n ASN 77 N -2.99 2.05 0.09 3.07 3.02 -1.06 -3.76 115.26 115.68 3fa4 n ASN 77 Ca -0.01 -1.74 -0.13 0.00 -0.03 0.00 0.00 54.58 52.67 3fa4 n ASN 77 Cb 0.16 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 3fa4 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa4 h ILE 78 N 0.84 0.94 -3.13 2.41 2.04 -1.35 -3.38 117.51 115.88 3fa4 h ILE 78 Ca 0.00 -0.23 -0.61 0.00 1.00 0.00 0.00 64.86 65.02 3fa4 h ILE 78 Cb 0.46 1.08 -0.40 0.00 -0.74 0.00 0.00 36.82 37.23 3fa4 h ILE 78 CO 0.00 0.05 -0.72 -0.55 0.00 0.00 0.00 178.15 176.93 3fa4 s SER 79 N -5.15 3.90 0.47 1.72 0.15 -1.26 -5.01 113.70 108.52 3fa4 s SER 79 Ca -0.14 -2.48 0.31 0.00 0.70 0.00 0.00 55.95 54.34 3fa4 s SER 79 Cb 0.05 -1.14 1.69 0.00 -1.71 0.00 0.00 66.02 64.90 3fa4 s SER 79 CO 0.65 -0.30 1.96 1.55 1.20 0.00 0.00 173.24 178.30 3fa4 h PRO 80 N 6.99 0.00 -0.12 5.44 0.13 -1.75 -1.83 132.00 140.86 3fa4 h PRO 80 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3fa4 h PRO 80 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3fa4 h PRO 80 CO 0.51 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.15 3fa4 n SER 81 N -2.61 2.85 -4.56 1.44 3.41 -1.26 -4.06 113.62 108.83 3fa4 n SER 81 Ca -0.02 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.27 3fa4 n SER 81 Cb 0.06 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3fa4 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa4 s THR 82 N -1.87 5.18 0.14 6.66 2.01 -0.69 -4.90 115.64 122.17 3fa4 s THR 82 Ca 0.32 0.13 -0.35 0.00 0.31 0.00 0.00 61.69 62.10 3fa4 s THR 82 Cb 0.21 -3.78 -0.15 0.00 0.01 0.00 0.00 72.50 68.79 3fa4 s THR 82 CO 0.31 -0.03 1.44 -2.65 -0.69 0.00 0.00 174.62 173.00 3fa4 n PRO 83 N 5.34 1.68 -4.75 4.92 -0.02 -1.26 -4.80 135.00 136.11 3fa4 n PRO 83 Ca -0.09 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 3fa4 n PRO 83 Cb 0.50 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 3fa4 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa4 s VAL 84 N 0.57 2.92 -0.26 -1.45 1.01 -1.26 -1.47 120.40 120.45 3fa4 s VAL 84 Ca 0.79 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3fa4 s VAL 84 Cb -0.79 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3fa4 s VAL 84 CO 0.43 0.52 0.13 -0.63 0.00 0.00 0.00 175.10 175.56 3fa4 s ILE 85 N 0.45 4.85 -0.10 2.22 1.01 -0.09 -1.10 121.20 128.44 3fa4 s ILE 85 Ca -0.10 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3fa4 s ILE 85 Cb -0.16 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.00 3fa4 s ILE 85 CO 0.05 0.29 -0.15 0.00 0.00 0.00 0.00 174.94 175.13 3fa4 s ALA 86 N 1.66 2.55 0.08 9.38 0.00 0.62 -0.27 121.76 135.79 3fa4 s ALA 86 Ca 0.07 -0.93 -0.32 0.00 0.00 0.00 0.00 51.96 50.78 3fa4 s ALA 86 Cb -0.15 -1.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.78 3fa4 s ALA 86 CO 0.07 0.33 1.84 -3.47 0.00 0.00 0.00 175.76 174.54 3fa4 n ASP 87 N 3.22 3.86 -0.83 0.00 2.03 -1.06 -2.13 116.55 121.65 3fa4 n ASP 87 Ca -0.18 0.98 0.09 0.00 0.52 0.00 0.00 54.79 56.20 3fa4 n ASP 87 Cb 0.53 -1.50 0.25 0.00 -0.72 0.00 0.00 41.12 39.68 3fa4 n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fa4 n ALA 88 N 5.86 2.94 -0.41 -1.67 0.00 -0.97 -4.85 120.51 121.41 3fa4 n ALA 88 Ca 0.19 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.28 3fa4 n ALA 88 Cb 0.36 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3fa4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 89 N -0.59 0.00 -0.21 0.00 9.92 -1.20 -1.18 116.55 123.29 3fa4 n ASP 89 Ca 0.21 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.56 3fa4 n ASP 89 Cb 0.88 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.50 3fa4 n ASP 89 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3fa4 n THR 90 N 0.00 1.86 -1.01 -3.53 -2.24 -1.26 -1.34 114.28 106.76 3fa4 n THR 90 Ca 0.00 -2.07 -0.00 0.00 -2.27 0.00 0.00 64.05 59.70 3fa4 n THR 90 Cb 0.00 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3fa4 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa4 n GLY 91 N -1.17 0.47 2.48 3.38 0.00 -0.32 -4.36 105.19 105.67 3fa4 n GLY 91 Ca 0.15 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 3fa4 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa4 n TYR 92 N -2.96 -0.32 0.00 1.61 4.02 -1.26 -2.11 117.16 116.14 3fa4 n TYR 92 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa4 n TYR 92 Cb 0.03 -3.38 0.00 0.00 -0.02 0.00 0.00 39.34 35.97 3fa4 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa4 n GLY 93 N -0.78 -0.03 2.25 2.72 0.00 -1.26 -4.86 105.19 103.23 3fa4 n GLY 93 Ca -0.20 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 3fa4 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 94 N 0.00 -0.40 0.32 -0.02 0.00 -1.26 -4.50 105.19 99.34 3fa4 n GLY 94 Ca 0.00 -1.84 0.22 0.00 0.00 0.00 0.00 46.02 44.40 3fa4 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fa4 n PRO 95 N -2.38 -0.07 -0.22 1.61 -0.02 -1.26 0.37 135.00 133.04 3fa4 n PRO 95 Ca 0.10 1.39 -0.02 0.00 -2.02 0.00 0.00 63.50 62.95 3fa4 n PRO 95 Cb 0.34 -2.34 0.18 0.00 -0.02 0.00 0.00 33.50 31.66 3fa4 n PRO 95 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3fa4 h ILE 96 N 0.00 1.22 0.20 4.25 2.04 -1.97 -1.57 117.51 121.68 3fa4 h ILE 96 Ca 0.69 -0.61 -0.29 0.00 1.00 0.00 0.00 64.86 65.65 3fa4 h ILE 96 Cb 1.64 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3fa4 h ILE 96 CO -0.83 0.26 -1.35 0.24 0.00 0.00 0.00 178.15 176.47 3fa4 h MET 97 N 1.01 0.42 -0.87 2.37 2.86 -0.37 -2.32 114.93 118.04 3fa4 h MET 97 Ca 0.25 -0.72 0.20 0.00 -2.06 0.00 0.00 59.70 57.38 3fa4 h MET 97 Cb 0.08 0.27 -0.12 0.00 0.06 0.00 0.00 31.60 31.88 3fa4 h MET 97 CO -0.04 1.34 0.37 0.28 1.06 0.00 0.00 176.91 179.93 3fa4 h VAL 98 N -0.05 0.52 -0.19 -2.22 2.07 -0.57 0.33 116.25 116.13 3fa4 h VAL 98 Ca -0.25 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 3fa4 h VAL 98 Cb 1.97 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3fa4 h VAL 98 CO 0.20 0.08 -0.43 0.00 0.02 0.00 0.00 177.57 177.44 3fa4 h ALA 99 N 1.67 0.91 -0.41 1.67 0.00 -1.27 -1.98 119.26 119.85 3fa4 h ALA 99 Ca 0.52 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3fa4 h ALA 99 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3fa4 h ALA 99 CO -0.50 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 179.23 3fa4 h ARG 100 N 0.38 0.83 -0.87 0.00 3.08 -0.82 -1.12 114.38 115.86 3fa4 h ARG 100 Ca 0.03 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.74 3fa4 h ARG 100 Cb 0.90 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 3fa4 h ARG 100 CO 0.08 0.98 0.56 1.15 -1.07 0.00 0.00 179.97 181.67 3fa4 h THR 101 N 0.65 1.23 -0.16 2.04 2.02 -0.87 0.25 112.91 118.07 3fa4 h THR 101 Ca 0.10 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3fa4 h THR 101 Cb 0.71 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3fa4 h THR 101 CO 0.05 0.22 -0.01 0.74 0.37 0.00 0.00 175.52 176.90 3fa4 h THR 102 N 1.18 1.26 -0.32 3.16 2.02 -1.26 -0.80 112.91 118.14 3fa4 h THR 102 Ca 0.32 -0.87 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 3fa4 h THR 102 Cb -0.12 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3fa4 h THR 102 CO -0.07 0.26 -0.23 -0.33 0.37 0.00 0.00 175.52 175.52 3fa4 h GLU 103 N 0.02 0.72 -0.28 6.66 5.08 -0.79 -2.18 114.58 123.80 3fa4 h GLU 103 Ca 0.04 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3fa4 h GLU 103 Cb 0.39 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fa4 h GLU 103 CO 0.01 0.96 0.10 1.96 -1.00 0.00 0.00 179.01 181.04 3fa4 h GLN 104 N 0.48 0.43 -0.74 2.33 4.20 -0.56 -1.20 115.11 120.05 3fa4 h GLN 104 Ca 0.06 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3fa4 h GLN 104 Cb 0.79 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 3fa4 h GLN 104 CO 0.06 0.47 0.47 1.88 -0.67 0.00 0.00 178.83 181.04 3fa4 h TYR 105 N 0.30 0.87 0.70 2.96 -1.99 -1.20 -2.71 116.97 115.91 3fa4 h TYR 105 Ca 0.09 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 3fa4 h TYR 105 Cb 0.21 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.66 3fa4 h TYR 105 CO -0.00 0.50 -0.36 0.77 -0.00 0.00 0.00 178.16 179.07 3fa4 h SER 106 N 0.91 -0.87 -0.96 3.88 0.02 -1.24 -1.51 113.55 113.78 3fa4 h SER 106 Ca 0.30 0.04 0.25 0.00 -0.84 0.00 0.00 61.79 61.53 3fa4 h SER 106 Cb 0.02 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 3fa4 h SER 106 CO -0.11 -0.59 0.65 0.03 -1.14 0.00 0.00 176.83 175.67 3fa4 h ARG 107 N -0.97 0.25 -0.00 3.45 3.08 -1.17 0.10 114.38 119.12 3fa4 h ARG 107 Ca -0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3fa4 h ARG 107 Cb 0.76 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3fa4 h ARG 107 CO 0.14 0.16 -0.08 0.43 -1.07 0.00 0.00 179.97 179.55 3fa4 n SER 108 N -4.44 0.46 -0.27 7.04 7.64 -1.03 -4.93 113.62 118.10 3fa4 n SER 108 Ca 0.21 -0.67 -0.04 0.00 1.01 0.00 0.00 58.87 59.39 3fa4 n SER 108 Cb 0.87 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.98 3fa4 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fa4 n GLY 109 N 1.24 0.65 3.70 0.23 0.00 0.36 -4.64 105.19 106.72 3fa4 n GLY 109 Ca 0.16 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 3fa4 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa4 n VAL 110 N -2.85 1.07 0.08 1.61 0.31 -0.60 -4.46 118.33 113.49 3fa4 n VAL 110 Ca -0.04 -0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 3fa4 n VAL 110 Cb 0.14 -1.63 -0.13 0.00 -0.91 0.00 0.00 33.84 31.30 3fa4 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fa4 h ALA 111 N 4.23 0.24 -2.41 3.52 0.00 -1.43 -3.40 119.26 120.02 3fa4 h ALA 111 Ca -0.46 -0.94 -0.06 0.00 0.00 0.00 0.00 54.91 53.46 3fa4 h ALA 111 Cb 1.26 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 3fa4 h ALA 111 CO 0.76 1.13 0.10 0.00 0.00 0.00 0.00 179.25 181.23 3fa4 s ALA 112 N -2.67 -1.48 0.04 0.00 0.00 -0.76 -2.13 121.76 114.76 3fa4 s ALA 112 Ca -0.02 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 3fa4 s ALA 112 Cb 0.08 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3fa4 s ALA 112 CO 0.85 -0.49 -0.00 -0.59 0.00 0.00 0.00 175.76 175.53 3fa4 s PHE 113 N -2.18 0.39 -0.13 0.00 -0.12 -0.81 -0.27 117.98 114.87 3fa4 s PHE 113 Ca -0.07 -0.83 -0.00 0.00 -0.05 0.00 0.00 56.93 55.98 3fa4 s PHE 113 Cb -0.01 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.07 3fa4 s PHE 113 CO 0.01 -0.33 -0.11 -3.38 -0.05 0.00 0.00 175.22 171.35 3fa4 s HIS 114 N -3.07 2.85 -0.13 3.49 -3.43 -0.91 -0.45 115.29 113.64 3fa4 s HIS 114 Ca -0.01 -0.52 -0.01 0.00 -0.80 0.00 0.00 55.06 53.72 3fa4 s HIS 114 Cb 0.02 -1.84 -0.02 0.00 -1.43 0.00 0.00 32.58 29.30 3fa4 s HIS 114 CO -0.07 -0.13 -0.09 0.42 -2.00 0.00 0.00 174.74 172.88 3fa4 s ILE 115 N 0.23 3.48 0.54 -5.38 1.01 -0.45 -2.29 121.20 118.33 3fa4 s ILE 115 Ca -0.07 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3fa4 s ILE 115 Cb -0.15 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.89 3fa4 s ILE 115 CO 0.05 0.52 0.48 -1.83 0.00 0.00 0.00 174.94 174.16 3fa4 s GLU 116 N 0.15 2.28 -0.27 2.79 -1.05 -0.45 -1.02 118.70 121.13 3fa4 s GLU 116 Ca -0.04 -1.92 0.11 0.00 -0.15 0.00 0.00 54.97 52.97 3fa4 s GLU 116 Cb -0.14 -2.22 0.56 0.00 -0.44 0.00 0.00 34.13 31.88 3fa4 s GLU 116 CO 0.04 -0.64 1.53 -0.40 0.95 0.00 0.00 175.26 176.74 3fa4 n ASP 117 N -1.85 3.32 -4.95 0.83 5.75 -1.22 -4.70 116.55 113.74 3fa4 n ASP 117 Ca 0.02 -3.45 -0.23 0.00 -0.01 0.00 0.00 54.79 51.12 3fa4 n ASP 117 Cb 0.64 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa4 s GLN 118 N -3.09 3.26 0.56 0.11 -0.21 -1.26 -0.62 119.66 118.41 3fa4 s GLN 118 Ca 0.46 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 55.20 3fa4 s GLN 118 Cb 0.40 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 3fa4 s GLN 118 CO 0.05 -0.08 1.31 0.14 -2.12 0.00 0.00 175.29 174.60 3fa4 s VAL 119 N -2.44 2.21 0.20 1.09 -7.23 0.11 -4.48 120.40 109.86 3fa4 s VAL 119 Ca 0.45 0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 60.53 3fa4 s VAL 119 Cb -0.10 -3.07 0.11 0.00 0.56 0.00 0.00 36.38 33.88 3fa4 s VAL 119 CO 0.37 -0.01 1.55 -0.61 -0.31 0.00 0.00 175.10 176.09 3fa4 h GLN 120 N 1.26 -0.05 0.00 4.82 4.15 -1.95 -3.49 115.11 119.85 3fa4 h GLN 120 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3fa4 h GLN 120 Cb 1.30 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3fa4 h GLN 120 CO 0.56 -0.03 0.00 2.41 -1.93 0.00 0.00 178.83 179.84 3fa4 n THR 121 N -5.39 0.00 0.00 2.39 -1.04 -1.26 -4.84 114.28 104.14 3fa4 n THR 121 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3fa4 n THR 121 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3fa4 n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fa4 n GLY 129 N 0.00 -0.84 3.91 3.41 0.00 -1.26 -5.13 105.19 105.29 3fa4 n GLY 129 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 3fa4 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa4 s LYS 130 N 0.00 3.53 -0.06 1.61 1.02 -1.26 -5.15 119.74 119.42 3fa4 s LYS 130 Ca 0.00 0.10 -0.03 0.00 0.02 0.00 0.00 55.97 56.06 3fa4 s LYS 130 Cb 0.00 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.92 3fa4 s LYS 130 CO 0.00 -0.14 0.14 0.42 -0.92 0.00 0.00 175.35 174.84 3fa4 s ILE 131 N -2.67 -0.11 0.01 2.17 -1.09 -1.26 -5.01 121.20 113.24 3fa4 s ILE 131 Ca 0.46 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 3fa4 s ILE 131 Cb -0.10 -0.24 -0.03 0.00 -1.58 0.00 0.00 42.46 40.51 3fa4 s ILE 131 CO 0.43 0.10 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.43 3fa4 s LEU 132 N 1.49 3.23 0.55 2.97 1.43 -1.26 -0.71 118.68 126.37 3fa4 s LEU 132 Ca -0.06 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3fa4 s LEU 132 Cb -0.12 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3fa4 s LEU 132 CO -0.06 0.28 0.84 0.68 0.23 0.00 0.00 176.35 178.33 3fa4 s VAL 133 N -1.02 4.00 0.84 -1.59 -7.23 0.21 -4.69 120.40 110.91 3fa4 s VAL 133 Ca 0.18 -0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.23 3fa4 s VAL 133 Cb -0.11 -3.56 0.10 0.00 0.56 0.00 0.00 36.38 33.37 3fa4 s VAL 133 CO 0.08 -0.54 1.10 -1.81 -0.31 0.00 0.00 175.10 173.62 3fa4 s ASP 134 N -4.25 3.86 0.28 4.85 -0.00 -1.26 -4.76 116.67 115.40 3fa4 s ASP 134 Ca 0.52 1.81 -0.02 0.00 -0.00 0.00 0.00 52.55 54.85 3fa4 s ASP 134 Cb -0.10 -2.44 0.40 0.00 -0.00 0.00 0.00 42.92 40.77 3fa4 s ASP 134 CO 0.44 -2.44 1.89 0.74 -0.00 0.00 0.00 175.17 175.80 3fa4 h THR 135 N -1.41 1.22 -0.32 -1.27 2.02 -1.98 -0.48 112.91 110.69 3fa4 h THR 135 Ca -0.45 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 3fa4 h THR 135 Cb 1.25 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3fa4 h THR 135 CO 0.50 0.26 0.10 -2.24 0.37 0.00 0.00 175.52 174.51 3fa4 h ASP 136 N 0.99 0.47 0.34 4.18 3.04 -1.99 0.13 116.42 123.58 3fa4 h ASP 136 Ca 0.24 -0.21 -0.01 0.00 -3.24 0.00 0.00 57.03 53.82 3fa4 h ASP 136 Cb 0.09 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.25 3fa4 h ASP 136 CO -0.03 0.55 -0.23 0.74 -2.04 0.00 0.00 179.24 178.23 3fa4 h THR 137 N 0.36 0.52 -0.75 1.15 2.02 -1.90 -0.69 112.91 113.62 3fa4 h THR 137 Ca 0.10 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.44 3fa4 h THR 137 Cb 0.25 0.52 -0.11 0.00 -1.74 0.00 0.00 68.15 67.07 3fa4 h THR 137 CO -0.00 0.00 0.22 0.22 0.37 0.00 0.00 175.52 176.33 3fa4 h TYR 138 N -0.56 0.36 0.00 3.16 3.20 -1.02 -2.36 116.97 119.75 3fa4 h TYR 138 Ca -0.03 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 3fa4 h TYR 138 Cb 0.47 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3fa4 h TYR 138 CO -0.11 -0.05 -0.56 0.28 -1.64 0.00 0.00 178.16 176.08 3fa4 h VAL 139 N 0.32 1.38 -0.90 1.81 2.07 -0.53 -2.56 116.25 117.84 3fa4 h VAL 139 Ca 0.43 -1.95 0.03 0.00 0.82 0.00 0.00 66.70 66.03 3fa4 h VAL 139 Cb 0.72 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 3fa4 h VAL 139 CO -0.49 0.55 0.59 0.74 0.02 0.00 0.00 177.57 178.99 3fa4 h THR 140 N 0.00 1.16 -0.21 2.57 2.02 -0.65 0.35 112.91 118.15 3fa4 h THR 140 Ca -0.01 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 3fa4 h THR 140 Cb 1.01 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3fa4 h THR 140 CO 0.07 0.21 0.03 0.03 0.37 0.00 0.00 175.52 176.23 3fa4 h ARG 141 N 1.13 0.34 -0.35 6.66 3.08 -1.22 0.07 114.38 124.10 3fa4 h ARG 141 Ca 0.36 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 3fa4 h ARG 141 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3fa4 h ARG 141 CO -0.11 0.49 0.10 0.82 -1.07 0.00 0.00 179.97 180.21 3fa4 h ILE 142 N 0.14 1.22 -0.22 2.04 1.08 -1.18 -1.96 117.51 118.63 3fa4 h ILE 142 Ca 0.06 -0.71 -0.10 0.00 -0.39 0.00 0.00 64.86 63.72 3fa4 h ILE 142 Cb 0.32 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3fa4 h ILE 142 CO 0.00 0.24 -0.29 -0.09 -0.69 0.00 0.00 178.15 177.33 3fa4 h ARG 143 N 0.41 0.43 -0.89 2.37 2.43 -0.31 -1.97 114.38 116.84 3fa4 h ARG 143 Ca 0.11 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3fa4 h ARG 143 Cb 0.27 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 3fa4 h ARG 143 CO -0.00 0.68 0.57 0.00 -1.51 0.00 0.00 179.97 179.70 3fa4 h ALA 144 N 1.33 1.20 -0.16 2.80 0.00 -0.81 -0.20 119.26 123.42 3fa4 h ALA 144 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fa4 h ALA 144 Cb 0.70 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fa4 h ALA 144 CO 0.05 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 3fa4 h ALA 145 N 1.39 0.22 -0.12 0.00 0.00 -1.18 -1.58 119.26 117.99 3fa4 h ALA 145 Ca 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fa4 h ALA 145 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fa4 h ALA 145 CO -0.15 0.01 0.04 0.28 0.00 0.00 0.00 179.25 179.43 3fa4 h VAL 146 N -0.00 1.18 -0.01 0.00 2.07 -1.34 -2.83 116.25 115.31 3fa4 h VAL 146 Ca 0.04 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 3fa4 h VAL 146 Cb 0.52 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3fa4 h VAL 146 CO 0.02 0.16 -0.65 1.56 0.02 0.00 0.00 177.57 178.68 3fa4 h GLN 147 N 0.01 0.04 -0.67 1.57 4.20 -1.06 -2.54 115.11 116.67 3fa4 h GLN 147 Ca 0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3fa4 h GLN 147 Cb 0.22 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3fa4 h GLN 147 CO -0.00 0.68 0.18 0.00 -0.67 0.00 0.00 178.83 179.02 3fa4 h ALA 148 N 1.31 0.88 0.00 3.87 0.00 -1.33 -2.40 119.26 121.60 3fa4 h ALA 148 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3fa4 h ALA 148 Cb 1.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3fa4 h ALA 148 CO 0.09 0.58 -0.52 0.07 0.00 0.00 0.00 179.25 179.47 3fa4 h ARG 149 N 0.99 0.00 -0.05 0.00 0.11 -1.35 -3.12 114.38 110.96 3fa4 h ARG 149 Ca 0.21 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.16 3fa4 h ARG 149 Cb 0.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 3fa4 h ARG 149 CO -0.00 0.52 -0.59 1.96 0.10 0.00 0.00 179.97 181.96 3fa4 h GLN 150 N 0.00 0.16 0.00 0.08 4.20 -1.34 0.35 115.11 118.55 3fa4 h GLN 150 Ca -0.01 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 3fa4 h GLN 150 Cb 1.16 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3fa4 h GLN 150 CO 0.07 0.70 -0.50 0.00 -0.67 0.00 0.00 178.83 178.43 3fa4 h ARG 151 N 0.12 0.00 -0.00 1.46 3.08 -1.37 -3.11 114.38 114.56 3fa4 h ARG 151 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fa4 h ARG 151 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3fa4 h ARG 151 CO 0.09 0.50 -0.66 0.44 -1.07 0.00 0.00 179.97 179.27 3fa4 n ILE 152 N -3.82 0.00 -2.40 2.04 -5.35 -1.21 -5.00 119.36 103.61 3fa4 n ILE 152 Ca -0.01 -0.17 -0.08 0.00 -0.27 0.00 0.00 62.75 62.21 3fa4 n ILE 152 Cb 0.53 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 3fa4 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa4 n GLY 153 N 1.34 0.15 3.74 3.28 0.00 -0.05 -5.02 105.19 108.63 3fa4 n GLY 153 Ca 0.04 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3fa4 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa4 s SER 154 N -2.79 7.04 0.00 1.61 0.15 0.10 -4.97 113.70 114.84 3fa4 s SER 154 Ca 0.07 1.24 0.32 0.00 0.70 0.00 0.00 55.95 58.28 3fa4 s SER 154 Cb -0.03 -2.41 1.83 0.00 -1.71 0.00 0.00 66.02 63.70 3fa4 s SER 154 CO 0.09 0.00 2.19 0.47 1.20 0.00 0.00 173.24 177.20 3fa4 n ASP 155 N 3.11 0.00 -4.48 5.45 8.00 -1.26 -4.59 116.55 122.78 3fa4 n ASP 155 Ca -0.04 -0.82 -0.56 0.00 0.71 0.00 0.00 54.79 54.08 3fa4 n ASP 155 Cb 0.51 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 3fa4 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 n ILE 156 N -1.06 0.51 -3.10 0.53 3.06 -1.26 -4.67 119.36 113.37 3fa4 n ILE 156 Ca 0.22 -0.13 -0.40 0.00 -2.50 0.00 0.00 62.75 59.94 3fa4 n ILE 156 Cb 0.14 -0.02 -0.06 0.00 0.54 0.00 0.00 39.64 40.24 3fa4 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa4 s VAL 157 N -0.25 5.01 -0.31 9.51 1.01 -0.91 -4.98 120.40 129.49 3fa4 s VAL 157 Ca 0.84 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.86 3fa4 s VAL 157 Cb -1.17 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 31.23 3fa4 s VAL 157 CO 0.57 0.11 0.49 -0.69 0.00 0.00 0.00 175.10 175.58 3fa4 s VAL 158 N 1.88 5.06 -0.26 2.92 1.01 -1.26 -1.92 120.40 127.83 3fa4 s VAL 158 Ca 0.30 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 3fa4 s VAL 158 Cb -0.16 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3fa4 s VAL 158 CO 0.11 -0.08 0.14 -0.63 0.00 0.00 0.00 175.10 174.64 3fa4 s ILE 159 N 2.32 4.98 -0.42 2.22 1.01 0.40 -1.08 121.20 130.63 3fa4 s ILE 159 Ca 0.19 0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 3fa4 s ILE 159 Cb -0.16 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.98 3fa4 s ILE 159 CO 0.12 0.30 0.85 0.00 0.00 0.00 0.00 174.94 176.20 3fa4 s ALA 160 N 1.57 3.32 -0.04 9.38 0.00 -0.62 -1.34 121.76 134.03 3fa4 s ALA 160 Ca 0.07 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3fa4 s ALA 160 Cb -0.15 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 3fa4 s ALA 160 CO 0.08 -1.81 -0.06 0.50 0.00 0.00 0.00 175.76 174.46 3fa4 s ARG 161 N 3.41 2.69 -0.07 0.00 3.52 -0.19 -2.00 118.95 126.31 3fa4 s ARG 161 Ca 0.34 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.36 3fa4 s ARG 161 Cb -0.12 -2.57 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 3fa4 s ARG 161 CO 0.22 0.64 -0.19 -0.08 -0.81 0.00 0.00 175.30 175.08 3fa4 s THR 162 N -0.91 2.61 -0.33 4.11 -1.32 -0.48 -3.39 115.64 115.93 3fa4 s THR 162 Ca 0.15 -0.87 0.15 0.00 -1.21 0.00 0.00 61.69 59.91 3fa4 s THR 162 Cb -0.11 -2.01 0.80 0.00 -1.51 0.00 0.00 72.50 69.67 3fa4 s THR 162 CO 0.04 0.57 1.73 0.47 -2.21 0.00 0.00 174.62 175.22 3fa4 n ASP 163 N 2.82 5.56 -0.08 8.08 8.00 -1.26 -2.47 116.55 137.20 3fa4 n ASP 163 Ca -0.17 -2.89 0.14 0.00 0.71 0.00 0.00 54.79 52.57 3fa4 n ASP 163 Cb 0.52 -0.67 0.62 0.00 -0.02 0.00 0.00 41.12 41.57 3fa4 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa4 n SER 164 N 0.61 0.36 0.07 -2.24 3.41 -1.26 -4.17 113.62 110.39 3fa4 n SER 164 Ca 0.27 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.35 3fa4 n SER 164 Cb 1.16 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.91 3fa4 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa4 h LEU 165 N 0.40 -0.09 -0.65 1.04 5.85 -1.85 -1.01 115.31 118.99 3fa4 h LEU 165 Ca 0.00 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3fa4 h LEU 165 Cb 0.36 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3fa4 h LEU 165 CO 0.00 0.06 0.40 0.06 -0.34 0.00 0.00 178.44 178.62 3fa4 h GLN 166 N -0.23 0.87 0.00 1.25 -0.00 -1.90 0.34 115.11 115.45 3fa4 h GLN 166 Ca -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 3fa4 h GLN 166 Cb 0.20 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 3fa4 h GLN 166 CO 0.02 0.61 -0.06 1.79 -0.00 0.00 0.00 178.83 181.19 3fa4 h THR 167 N 0.88 1.66 0.00 1.86 1.35 -1.80 -3.41 112.91 113.45 3fa4 h THR 167 Ca 0.23 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3fa4 h THR 167 Cb -0.05 3.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3fa4 h THR 167 CO -0.05 0.53 -0.67 1.41 -0.25 0.00 0.00 175.52 176.49 3fa4 n HIS 168 N -4.64 0.00 0.00 4.73 8.25 -0.40 -5.12 115.22 118.03 3fa4 n HIS 168 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3fa4 n HIS 168 Cb 0.44 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3fa4 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 169 N 1.38 -0.32 0.44 -1.41 0.00 0.11 -4.43 105.19 100.95 3fa4 n GLY 169 Ca 0.01 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 3fa4 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa4 h TYR 170 N 0.00 -1.09 -0.23 1.61 3.20 -1.89 -2.76 116.97 115.81 3fa4 h TYR 170 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3fa4 h TYR 170 Cb 0.00 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3fa4 h TYR 170 CO 0.00 -0.60 0.17 1.05 -1.64 0.00 0.00 178.16 177.14 3fa4 h GLU 171 N -0.96 0.00 -0.20 1.82 9.09 -2.00 -1.18 114.58 121.15 3fa4 h GLU 171 Ca -0.07 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.28 3fa4 h GLU 171 Cb 0.79 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.89 3fa4 h GLU 171 CO 0.04 0.00 -0.10 1.49 0.05 0.00 0.00 179.01 180.49 3fa4 h GLU 172 N 0.00 0.42 -0.15 1.06 4.57 -1.73 -2.52 114.58 116.23 3fa4 h GLU 172 Ca 0.11 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3fa4 h GLU 172 Cb 0.45 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3fa4 h GLU 172 CO -0.00 0.71 -0.15 0.77 -1.18 0.00 0.00 179.01 179.16 3fa4 h SER 173 N 0.11 -0.46 -0.28 1.04 0.02 -1.10 -1.74 113.55 111.14 3fa4 h SER 173 Ca 0.04 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3fa4 h SER 173 Cb 0.59 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3fa4 h SER 173 CO 0.03 -0.19 0.16 0.58 -1.14 0.00 0.00 176.83 176.26 3fa4 h VAL 174 N -0.17 1.02 -0.57 2.27 2.07 -1.24 -2.06 116.25 117.57 3fa4 h VAL 174 Ca 0.10 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3fa4 h VAL 174 Cb 0.32 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3fa4 h VAL 174 CO -0.25 0.06 0.17 0.00 0.02 0.00 0.00 177.57 177.57 3fa4 h ALA 175 N 1.13 1.24 -0.89 1.67 0.00 -1.37 0.51 119.26 121.55 3fa4 h ALA 175 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 175 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3fa4 h ALA 175 CO -0.06 0.54 0.47 0.00 0.00 0.00 0.00 179.25 180.20 3fa4 h ARG 176 N 0.83 1.26 -0.26 0.00 3.08 -1.00 -1.57 114.38 116.72 3fa4 h ARG 176 Ca 0.19 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3fa4 h ARG 176 Cb 0.25 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3fa4 h ARG 176 CO -0.01 0.93 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.29 3fa4 h LEU 177 N 1.26 0.84 -1.11 3.04 3.38 -0.99 -1.37 115.31 120.36 3fa4 h LEU 177 Ca 0.31 -0.53 0.08 0.00 0.09 0.00 0.00 57.88 57.83 3fa4 h LEU 177 Cb 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3fa4 h LEU 177 CO -0.05 1.22 0.61 0.03 0.09 0.00 0.00 178.44 180.34 3fa4 h ARG 178 N 0.50 0.99 -0.66 1.13 3.08 -0.88 0.20 114.38 118.74 3fa4 h ARG 178 Ca 0.02 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3fa4 h ARG 178 Cb 1.06 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3fa4 h ARG 178 CO 0.10 0.65 0.19 0.00 -1.07 0.00 0.00 179.97 179.85 3fa4 h ALA 179 N 1.51 0.87 -0.18 0.04 0.00 -1.00 -1.66 119.26 118.84 3fa4 h ALA 179 Ca 0.43 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3fa4 h ALA 179 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fa4 h ALA 179 CO -0.18 0.55 -0.68 0.00 0.00 0.00 0.00 179.25 178.94 3fa4 h ALA 180 N 1.08 0.45 -0.32 0.00 0.00 -0.89 -2.93 119.26 116.64 3fa4 h ALA 180 Ca 0.21 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3fa4 h ALA 180 Cb 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3fa4 h ALA 180 CO -0.00 0.70 0.05 -0.09 0.00 0.00 0.00 179.25 179.90 3fa4 h ARG 181 N 0.52 0.15 0.00 0.00 2.43 -0.45 -1.98 114.38 115.05 3fa4 h ARG 181 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fa4 h ARG 181 Cb 1.28 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3fa4 h ARG 181 CO 0.14 0.10 0.00 -0.44 -1.51 0.00 0.00 179.97 178.26 3fa4 h ASP 182 N 0.16 0.00 0.15 -3.80 5.19 -1.25 -2.13 116.42 114.74 3fa4 h ASP 182 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3fa4 h ASP 182 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3fa4 h ASP 182 CO -0.22 0.00 -0.32 0.00 -3.12 0.00 0.00 179.24 175.59 3fa4 n ALA 183 N -1.88 3.22 0.00 3.45 0.00 -0.78 -4.96 120.51 119.55 3fa4 n ALA 183 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3fa4 n ALA 183 Cb 0.17 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3fa4 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 184 N 1.36 1.05 3.76 0.00 0.00 -0.80 -4.61 105.19 105.96 3fa4 n GLY 184 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 s ALA 185 N -2.00 2.73 -0.11 4.61 0.00 -0.97 -4.92 121.76 121.10 3fa4 s ALA 185 Ca 0.00 0.99 0.21 0.00 0.00 0.00 0.00 51.96 53.16 3fa4 s ALA 185 Cb 0.00 -3.43 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 3fa4 s ALA 185 CO 0.00 -0.97 0.57 -0.25 0.00 0.00 0.00 175.76 175.11 3fa4 n ASP 186 N -1.16 0.27 -3.89 0.00 8.00 -0.24 -4.72 116.55 114.81 3fa4 n ASP 186 Ca 0.11 0.11 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 3fa4 n ASP 186 Cb 0.49 1.32 -0.12 0.00 -0.02 0.00 0.00 41.12 42.78 3fa4 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa4 s VAL 187 N -3.26 0.04 0.27 2.53 1.01 -1.21 -4.34 120.40 115.45 3fa4 s VAL 187 Ca -0.06 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3fa4 s VAL 187 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 3fa4 s VAL 187 CO 0.86 -0.19 0.39 -0.83 0.00 0.00 0.00 175.10 175.33 3fa4 s GLY 188 N -0.58 1.34 -0.29 4.51 0.00 0.19 -1.59 107.32 110.90 3fa4 s GLY 188 Ca -0.06 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3fa4 s GLY 188 CO -0.00 -1.30 0.42 -0.12 0.00 0.00 0.00 173.10 172.10 3fa4 s PHE 189 N -2.05 -1.06 -0.36 1.90 5.99 -0.85 -1.06 117.98 120.50 3fa4 s PHE 189 Ca 0.37 0.39 -0.14 0.00 0.00 0.00 0.00 56.93 57.55 3fa4 s PHE 189 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 43.02 42.80 3fa4 s PHE 189 CO 0.29 -0.98 0.31 -1.17 -0.00 0.00 0.00 175.22 173.67 3fa4 s LEU 190 N 2.56 4.60 0.26 6.12 0.20 -1.26 -1.38 118.68 129.78 3fa4 s LEU 190 Ca 0.10 -0.44 -0.13 0.00 0.69 0.00 0.00 54.13 54.35 3fa4 s LEU 190 Cb -0.12 -2.24 -0.08 0.00 -0.43 0.00 0.00 46.19 43.32 3fa4 s LEU 190 CO -0.30 -0.33 0.64 -0.70 -0.29 0.00 0.00 176.35 175.38 3fa4 s GLU 191 N 1.86 3.95 -1.19 1.98 2.56 -1.03 -4.27 118.70 122.56 3fa4 s GLU 191 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.58 3fa4 s GLU 191 Cb -0.17 -2.61 0.00 0.00 2.00 0.00 0.00 34.13 33.34 3fa4 s GLU 191 CO 0.11 0.28 0.00 0.41 -0.56 0.00 0.00 175.26 175.50 3fa4 n GLY 192 N -0.04 0.48 3.57 -1.50 0.00 -1.26 -4.73 105.19 101.71 3fa4 n GLY 192 Ca 0.01 -0.39 -0.56 0.00 0.00 0.00 0.00 46.02 45.08 3fa4 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 193 N -3.44 0.02 0.95 -0.61 5.41 -1.26 -4.66 119.36 115.78 3fa4 n ILE 193 Ca -0.14 -0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.71 3fa4 n ILE 193 Cb 0.53 -0.51 -0.01 0.00 -0.71 0.00 0.00 39.64 38.94 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3fa4 n THR 194 N 2.37 0.00 -3.50 1.39 -2.24 -1.26 -3.24 114.28 107.80 3fa4 n THR 194 Ca 0.20 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3fa4 n THR 194 Cb 0.13 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa4 s SER 195 N -2.43 -0.49 0.14 3.42 1.04 -1.26 -4.55 113.70 109.56 3fa4 s SER 195 Ca 0.17 0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 3fa4 s SER 195 Cb 0.17 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 3fa4 s SER 195 CO 0.57 -0.86 1.79 0.03 0.98 0.00 0.00 173.24 175.76 3fa4 h ARG 196 N 2.34 0.39 -0.74 4.02 3.08 -1.96 -2.69 114.38 118.81 3fa4 h ARG 196 Ca -0.33 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.81 3fa4 h ARG 196 Cb 1.26 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 3fa4 h ARG 196 CO 0.40 0.26 0.35 1.49 -1.07 0.00 0.00 179.97 181.40 3fa4 h GLU 197 N 0.40 0.54 -0.19 0.04 4.57 -1.99 -1.62 114.58 116.34 3fa4 h GLU 197 Ca 0.12 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.13 3fa4 h GLU 197 Cb -0.02 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3fa4 h GLU 197 CO -0.05 0.36 -0.46 1.98 -1.18 0.00 0.00 179.01 179.66 3fa4 h MET 198 N 0.56 0.49 -0.97 1.92 4.05 -1.95 -0.12 114.93 118.91 3fa4 h MET 198 Ca 0.38 -0.27 0.07 0.00 -0.28 0.00 0.00 59.70 59.60 3fa4 h MET 198 Cb 0.48 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 3fa4 h MET 198 CO -0.32 0.85 0.63 0.00 0.23 0.00 0.00 176.91 178.30 3fa4 h ALA 199 N 1.11 1.45 -0.15 0.39 0.00 -1.13 -1.06 119.26 119.87 3fa4 h ALA 199 Ca 0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3fa4 h ALA 199 Cb 0.96 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3fa4 h ALA 199 CO 0.08 0.40 -0.67 0.00 0.00 0.00 0.00 179.25 179.07 3fa4 h ARG 200 N 1.12 0.60 -0.13 0.00 3.08 -0.64 -3.27 114.38 115.13 3fa4 h ARG 200 Ca 0.42 -0.44 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3fa4 h ARG 200 Cb 0.19 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3fa4 h ARG 200 CO -0.17 1.06 -0.17 0.37 -1.07 0.00 0.00 179.97 179.99 3fa4 h GLN 201 N 0.43 0.35 -0.11 0.04 5.75 -0.79 -3.11 115.11 117.66 3fa4 h GLN 201 Ca -0.02 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.31 3fa4 h GLN 201 Cb 1.25 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 3fa4 h GLN 201 CO 0.13 0.77 0.08 -0.24 -2.65 0.00 0.00 178.83 176.92 3fa4 h VAL 202 N -0.04 0.92 -0.28 2.39 3.04 -1.31 0.50 116.25 121.47 3fa4 h VAL 202 Ca 0.02 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.53 3fa4 h VAL 202 Cb 0.73 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3fa4 h VAL 202 CO 0.04 0.00 -0.51 0.40 -1.01 0.00 0.00 177.57 176.49 3fa4 h ILE 203 N 0.00 1.28 0.07 3.17 2.04 -1.59 -1.63 117.51 120.85 3fa4 h ILE 203 Ca 0.05 -1.70 -0.25 0.00 1.00 0.00 0.00 64.86 63.96 3fa4 h ILE 203 Cb 0.22 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3fa4 h ILE 203 CO -0.00 0.55 -1.21 0.06 0.00 0.00 0.00 178.15 177.55 3fa4 h GLN 204 N 0.61 0.14 0.00 2.37 3.07 -1.34 -1.46 115.11 118.50 3fa4 h GLN 204 Ca 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 58.65 58.50 3fa4 h GLN 204 Cb 1.12 0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 3fa4 h GLN 204 CO 0.12 1.07 -0.10 -0.44 0.09 0.00 0.00 178.83 179.57 3fa4 h ASP 205 N 0.04 0.00 -0.29 0.06 5.19 -0.85 -2.03 116.42 118.53 3fa4 h ASP 205 Ca -0.11 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.07 3fa4 h ASP 205 Cb 1.90 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 41.16 3fa4 h ASP 205 CO 0.16 0.10 -0.77 0.18 -3.12 0.00 0.00 179.24 175.79 3fa4 n LEU 206 N -3.87 2.98 -4.54 1.55 4.77 -0.62 -5.07 117.00 112.19 3fa4 n LEU 206 Ca -0.02 -3.75 -0.44 0.00 -0.03 0.00 0.00 56.01 51.76 3fa4 n LEU 206 Cb 0.19 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3fa4 n LEU 206 CO 0.31 1.43 0.41 0.00 -1.33 0.00 0.00 177.39 178.21 3fa4 n ALA 207 N -0.66 -0.78 0.00 -1.18 0.00 -0.55 -2.67 120.51 114.66 3fa4 n ALA 207 Ca 0.23 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3fa4 n ALA 207 Cb 0.87 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3fa4 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 208 N 1.41 3.29 3.17 0.00 0.00 -1.26 -5.02 105.19 106.77 3fa4 n GLY 208 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3fa4 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa4 s TRP 209 N -2.46 2.68 0.45 1.61 -0.00 -1.09 -5.10 118.94 115.03 3fa4 s TRP 209 Ca 0.00 -1.37 -0.23 0.00 -0.00 0.00 0.00 56.10 54.50 3fa4 s TRP 209 Cb 0.00 -1.82 -0.08 0.00 -0.00 0.00 0.00 33.47 31.57 3fa4 s TRP 209 CO 0.00 -0.63 1.12 -2.14 -0.00 0.00 0.00 176.95 175.30 3fa4 s PRO 210 N 0.85 3.84 0.12 5.86 0.02 -1.26 -4.83 135.00 139.59 3fa4 s PRO 210 Ca -0.06 1.67 0.07 0.00 0.02 0.00 0.00 61.00 62.69 3fa4 s PRO 210 Cb -0.15 -2.39 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 3fa4 s PRO 210 CO -0.03 -0.46 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.51 3fa4 s LEU 211 N -3.01 2.37 -0.13 -5.54 1.43 -1.26 -0.64 118.68 111.90 3fa4 s LEU 211 Ca 0.63 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3fa4 s LEU 211 Cb -0.26 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 3fa4 s LEU 211 CO 0.31 -0.07 -0.05 -0.22 0.23 0.00 0.00 176.35 176.55 3fa4 s LEU 212 N -2.28 3.20 -0.30 1.79 0.20 -0.22 -0.65 118.68 120.42 3fa4 s LEU 212 Ca 0.08 -0.11 -0.11 0.00 0.69 0.00 0.00 54.13 54.68 3fa4 s LEU 212 Cb -0.07 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 3fa4 s LEU 212 CO 0.04 0.22 0.20 -0.22 -0.29 0.00 0.00 176.35 176.30 3fa4 s LEU 213 N 0.05 4.13 -0.64 -0.68 2.96 0.21 -4.39 118.68 120.33 3fa4 s LEU 213 Ca -0.01 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.48 3fa4 s LEU 213 Cb -0.14 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.47 3fa4 s LEU 213 CO 0.03 -0.10 1.27 0.21 -1.32 0.00 0.00 176.35 176.44 3fa4 s ASN 214 N 1.74 6.26 -1.04 3.68 2.47 -1.26 -1.60 114.94 125.19 3fa4 s ASN 214 Ca 0.07 -0.08 -0.13 0.00 0.42 0.00 0.00 52.86 53.14 3fa4 s ASN 214 Cb -0.16 -2.55 0.22 0.00 -1.45 0.00 0.00 41.25 37.30 3fa4 s ASN 214 CO 0.10 -1.68 1.10 -0.32 -3.72 0.00 0.00 177.10 172.59 3fa4 s MET 215 N 5.39 3.96 -0.38 0.43 -2.45 0.30 -4.85 119.30 121.69 3fa4 s MET 215 Ca 0.42 -2.71 -0.16 0.00 -1.25 0.00 0.00 55.69 51.99 3fa4 s MET 215 Cb -0.08 -4.68 0.01 0.00 1.25 0.00 0.00 34.83 31.32 3fa4 s MET 215 CO 0.21 -1.44 0.38 0.08 1.05 0.00 0.00 175.02 175.30 3fa4 s VAL 216 N 0.22 5.16 0.72 10.11 1.01 -1.26 -4.34 120.40 132.01 3fa4 s VAL 216 Ca 0.31 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 3fa4 s VAL 216 Cb -0.08 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.41 3fa4 s VAL 216 CO -0.07 -0.25 1.08 -1.61 0.00 0.00 0.00 175.10 174.25 3fa4 s GLU 217 N 2.00 2.63 -1.61 2.72 2.02 -1.26 -3.82 118.70 121.38 3fa4 s GLU 217 Ca 0.11 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.23 3fa4 s GLU 217 Cb -0.17 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3fa4 s GLU 217 CO 0.12 -1.35 0.00 0.72 0.02 0.00 0.00 175.26 174.77 3fa4 n HIS 218 N -3.13 -0.55 0.00 1.61 8.25 -1.26 -4.98 115.22 115.16 3fa4 n HIS 218 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3fa4 n HIS 218 Cb 0.53 -3.32 0.00 0.00 1.12 0.00 0.00 29.99 28.32 3fa4 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 219 N -0.96 1.77 0.18 -1.41 0.00 -1.25 -5.03 105.19 98.50 3fa4 n GLY 219 Ca -0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3fa4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 h ALA 220 N -0.07 1.22 -3.05 4.61 0.00 -1.90 -3.46 119.26 116.61 3fa4 h ALA 220 Ca 0.00 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.91 3fa4 h ALA 220 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 3fa4 h ALA 220 CO 0.00 0.56 -0.37 0.99 0.00 0.00 0.00 179.25 180.43 3fa4 s THR 221 N -4.09 5.33 0.97 0.00 2.01 -1.20 -4.29 115.64 114.38 3fa4 s THR 221 Ca -0.03 0.45 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 3fa4 s THR 221 Cb 0.14 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3fa4 s THR 221 CO 0.75 0.44 0.30 -2.65 -0.69 0.00 0.00 174.62 172.77 3fa4 n PRO 222 N 3.23 -0.45 -2.59 4.92 -0.02 -1.26 -4.51 135.00 134.33 3fa4 n PRO 222 Ca -0.14 -0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 60.83 3fa4 n PRO 222 Cb 0.52 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 3fa4 n PRO 222 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3fa4 s SER 223 N -1.95 6.44 -0.13 2.55 0.01 -1.26 -4.97 113.70 114.39 3fa4 s SER 223 Ca 0.56 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.88 3fa4 s SER 223 Cb -0.20 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 3fa4 s SER 223 CO 0.68 -1.49 -0.07 -0.63 0.41 0.00 0.00 173.24 172.14 3fa4 s ILE 224 N 4.96 3.63 0.61 1.44 1.01 -1.26 -5.13 121.20 126.45 3fa4 s ILE 224 Ca 0.42 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 3fa4 s ILE 224 Cb -0.08 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3fa4 s ILE 224 CO 0.25 0.52 0.89 -0.94 0.00 0.00 0.00 174.94 175.66 3fa4 s SER 225 N 0.12 5.25 0.30 3.58 1.04 -1.26 -4.86 113.70 117.86 3fa4 s SER 225 Ca -0.03 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.87 3fa4 s SER 225 Cb -0.14 -1.26 0.76 0.00 0.10 0.00 0.00 66.02 65.48 3fa4 s SER 225 CO 0.03 -1.25 1.76 0.00 0.98 0.00 0.00 173.24 174.77 3fa4 h ALA 226 N -0.22 1.67 -0.18 5.32 0.00 -2.00 -0.57 119.26 123.29 3fa4 h ALA 226 Ca -0.44 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3fa4 h ALA 226 Cb 1.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fa4 h ALA 226 CO 0.58 -0.11 -0.10 0.00 0.00 0.00 0.00 179.25 179.62 3fa4 h ALA 227 N 1.66 0.25 -0.63 0.00 0.00 -2.00 -1.89 119.26 116.67 3fa4 h ALA 227 Ca 0.59 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3fa4 h ALA 227 Cb 0.96 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3fa4 h ALA 227 CO -0.41 0.09 0.21 1.49 0.00 0.00 0.00 179.25 180.62 3fa4 h GLU 228 N 0.06 0.97 -0.17 0.00 4.81 -1.85 -2.75 114.58 115.63 3fa4 h GLU 228 Ca 0.04 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3fa4 h GLU 228 Cb 0.59 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3fa4 h GLU 228 CO 0.03 0.85 0.09 0.00 -0.73 0.00 0.00 179.01 179.24 3fa4 h ALA 229 N 1.07 1.83 0.02 2.92 0.00 -1.05 -1.63 119.26 122.41 3fa4 h ALA 229 Ca 0.20 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 229 Cb 0.28 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fa4 h ALA 229 CO -0.01 0.15 -1.00 -0.22 0.00 0.00 0.00 179.25 178.17 3fa4 h LYS 230 N 0.24 0.46 -0.27 0.00 3.64 -1.34 -1.77 116.57 117.54 3fa4 h LYS 230 Ca 0.06 -0.52 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 3fa4 h LYS 230 Cb 0.02 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3fa4 h LYS 230 CO -0.01 1.17 -0.11 0.93 -2.27 0.00 0.00 179.45 179.16 3fa4 h GLU 231 N 0.25 -0.06 -0.48 1.90 4.39 -1.26 -2.75 114.58 116.58 3fa4 h GLU 231 Ca -0.10 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3fa4 h GLU 231 Cb 1.65 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.29 3fa4 h GLU 231 CO 0.18 -0.04 0.32 0.52 -1.16 0.00 0.00 179.01 178.83 3fa4 h MET 232 N -0.06 0.49 0.00 2.33 2.86 -1.28 -3.46 114.93 115.81 3fa4 h MET 232 Ca 0.14 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3fa4 h MET 232 Cb 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3fa4 h MET 232 CO -0.31 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.40 3fa4 n GLY 233 N -1.49 1.46 3.75 8.32 0.00 -0.96 -4.89 105.19 111.38 3fa4 n GLY 233 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3fa4 n GLY 233 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa4 n PHE 234 N -0.57 2.45 0.55 1.61 3.01 -0.71 -4.75 117.46 119.05 3fa4 n PHE 234 Ca 0.00 0.43 0.11 0.00 1.01 0.00 0.00 57.45 59.00 3fa4 n PHE 234 Cb 0.00 -2.40 -0.07 0.00 -0.01 0.00 0.00 39.48 37.00 3fa4 n PHE 234 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3fa4 n ARG 235 N -0.83 0.30 -3.78 -1.08 5.12 0.18 -4.59 116.66 111.98 3fa4 n ARG 235 Ca 0.09 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 3fa4 n ARG 235 Cb 0.44 -1.55 -0.12 0.00 -1.16 0.00 0.00 32.46 30.07 3fa4 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa4 s ILE 236 N -3.22 -0.01 -0.03 0.55 1.01 -1.10 -1.35 121.20 117.04 3fa4 s ILE 236 Ca 0.02 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.78 3fa4 s ILE 236 Cb 0.15 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 3fa4 s ILE 236 CO 0.85 0.02 -0.21 -0.51 0.00 0.00 0.00 174.94 175.09 3fa4 s ILE 237 N 0.48 1.69 0.13 2.92 2.07 0.26 -0.62 121.20 128.13 3fa4 s ILE 237 Ca -0.03 -0.89 0.08 0.00 -1.41 0.00 0.00 60.65 58.40 3fa4 s ILE 237 Cb -0.04 -1.42 -0.04 0.00 0.13 0.00 0.00 42.46 41.09 3fa4 s ILE 237 CO -0.02 0.48 -0.19 0.27 -1.91 0.00 0.00 174.94 173.56 3fa4 s ILE 238 N -0.33 1.76 -0.47 2.00 -4.36 -0.62 -1.54 121.20 117.64 3fa4 s ILE 238 Ca 0.04 -1.74 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3fa4 s ILE 238 Cb -0.10 -1.71 0.22 0.00 1.25 0.00 0.00 42.46 42.13 3fa4 s ILE 238 CO 0.01 -0.20 0.52 0.49 0.24 0.00 0.00 174.94 176.00 3fa4 n PHE 239 N 0.67 0.57 -0.28 1.37 3.01 -1.08 -0.54 117.46 121.18 3fa4 n PHE 239 Ca -0.16 -3.68 0.11 0.00 1.01 0.00 0.00 57.45 54.73 3fa4 n PHE 239 Cb 0.55 -0.27 0.36 0.00 -0.01 0.00 0.00 39.48 40.11 3fa4 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa4 h PRO 240 N 4.52 0.72 -0.59 -1.08 0.11 -1.87 0.19 132.00 134.00 3fa4 h PRO 240 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3fa4 h PRO 240 Cb 0.83 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3fa4 h PRO 240 CO 0.53 0.48 0.00 1.19 -0.21 0.00 0.00 178.00 179.99 3fa4 n PHE 241 N -4.56 0.99 -0.28 0.65 0.99 -1.26 -4.36 117.46 109.62 3fa4 n PHE 241 Ca 0.17 -0.41 0.01 0.00 -0.00 0.00 0.00 57.45 57.22 3fa4 n PHE 241 Cb 0.43 -0.15 0.21 0.00 -1.00 0.00 0.00 39.48 38.98 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3fa4 h ALA 242 N 3.75 1.43 0.07 4.37 0.00 -1.22 -2.01 119.26 125.66 3fa4 h ALA 242 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 3fa4 h ALA 242 Cb 1.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3fa4 h ALA 242 CO 0.13 0.50 -1.93 0.00 0.00 0.00 0.00 179.25 177.95 3fa4 n ALA 243 N -2.40 1.14 0.09 0.00 0.00 -1.07 -4.62 120.51 113.63 3fa4 n ALA 243 Ca 0.11 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 3fa4 n ALA 243 Cb 0.07 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 3fa4 n ALA 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fa4 h LEU 244 N 0.04 0.28 -0.21 0.00 6.46 -1.79 -2.02 115.31 118.07 3fa4 h LEU 244 Ca -0.39 -0.29 -0.07 0.00 -0.12 0.00 0.00 57.88 57.01 3fa4 h LEU 244 Cb 2.03 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.86 3fa4 h LEU 244 CO 0.08 1.21 -0.16 1.23 -0.62 0.00 0.00 178.44 180.17 3fa4 h GLY 245 N 2.04 0.52 0.34 3.75 0.00 -1.63 -2.11 103.07 105.99 3fa4 h GLY 245 Ca -0.08 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 46.81 3fa4 h GLY 245 CO 0.17 0.46 -0.06 -2.55 0.00 0.00 0.00 176.54 174.55 3fa4 h PRO 246 N 0.16 0.02 -0.29 4.80 0.11 -1.80 -1.83 132.00 133.18 3fa4 h PRO 246 Ca 0.04 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.18 3fa4 h PRO 246 Cb 0.69 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 3fa4 h PRO 246 CO 0.04 0.01 0.09 0.00 -0.21 0.00 0.00 178.00 177.94 3fa4 h ALA 247 N 1.33 0.33 0.00 -0.75 0.00 -1.43 -1.53 119.26 117.21 3fa4 h ALA 247 Ca 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fa4 h ALA 247 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fa4 h ALA 247 CO -0.34 -0.32 -0.00 0.28 0.00 0.00 0.00 179.25 178.88 3fa4 h VAL 248 N 0.21 1.01 -0.65 0.00 2.07 -1.28 -1.11 116.25 116.51 3fa4 h VAL 248 Ca 0.13 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3fa4 h VAL 248 Cb 0.11 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3fa4 h VAL 248 CO -0.15 0.01 0.35 0.00 0.02 0.00 0.00 177.57 177.81 3fa4 h ALA 249 N 0.98 0.87 -0.47 1.67 0.00 -1.33 -1.80 119.26 119.19 3fa4 h ALA 249 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3fa4 h ALA 249 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fa4 h ALA 249 CO 0.00 0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.33 3fa4 h ALA 250 N 1.34 0.62 -0.56 0.00 0.00 -1.14 -2.27 119.26 117.26 3fa4 h ALA 250 Ca 0.29 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3fa4 h ALA 250 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fa4 h ALA 250 CO -0.19 0.36 -0.04 0.52 0.00 0.00 0.00 179.25 179.90 3fa4 h MET 251 N 0.64 1.01 -0.11 0.00 2.86 -1.15 -1.35 114.93 116.83 3fa4 h MET 251 Ca 0.14 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3fa4 h MET 251 Cb 0.41 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3fa4 h MET 251 CO 0.01 1.02 0.05 -0.09 1.06 0.00 0.00 176.91 178.97 3fa4 h ARG 252 N 0.89 0.15 -0.32 1.72 2.43 -1.33 0.20 114.38 118.13 3fa4 h ARG 252 Ca 0.15 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3fa4 h ARG 252 Cb 0.59 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3fa4 h ARG 252 CO 0.04 0.23 0.07 1.49 -1.51 0.00 0.00 179.97 180.28 3fa4 h GLU 253 N 0.04 0.18 -0.37 0.20 4.81 -1.43 -1.85 114.58 116.16 3fa4 h GLU 253 Ca 0.04 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3fa4 h GLU 253 Cb 0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3fa4 h GLU 253 CO -0.00 0.12 -0.20 0.00 -0.73 0.00 0.00 179.01 178.20 3fa4 h ALA 254 N 1.23 0.95 -0.33 2.92 0.00 -0.80 -2.38 119.26 120.86 3fa4 h ALA 254 Ca 0.15 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3fa4 h ALA 254 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fa4 h ALA 254 CO -0.19 0.61 -0.18 0.52 0.00 0.00 0.00 179.25 180.01 3fa4 h MET 255 N 0.63 0.71 0.00 0.00 2.86 -0.55 -0.54 114.93 118.04 3fa4 h MET 255 Ca 0.09 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3fa4 h MET 255 Cb 0.68 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3fa4 h MET 255 CO 0.05 0.92 0.00 -0.85 1.06 0.00 0.00 176.91 178.09 3fa4 n GLU 256 N -4.33 0.08 -0.04 1.72 0.28 -0.70 -0.64 120.64 117.01 3fa4 n GLU 256 Ca -0.03 0.14 -0.20 0.00 -0.16 0.00 0.00 57.16 56.92 3fa4 n GLU 256 Cb 0.40 -1.61 -0.13 0.00 1.43 0.00 0.00 31.44 31.53 3fa4 n GLU 256 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3fa4 h LYS 257 N 0.00 0.12 -0.82 3.44 3.64 -1.39 -2.86 116.57 118.70 3fa4 h LYS 257 Ca 0.00 -0.21 0.15 0.00 -1.27 0.00 0.00 60.65 59.32 3fa4 h LYS 257 Cb 0.50 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 3fa4 h LYS 257 CO 0.00 1.10 0.54 1.25 -2.27 0.00 0.00 179.45 180.07 3fa4 h LEU 258 N -0.67 0.49 -0.67 5.20 5.85 -0.94 0.40 115.31 124.97 3fa4 h LEU 258 Ca -0.22 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 3fa4 h LEU 258 Cb 1.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3fa4 h LEU 258 CO -0.02 0.25 -0.28 0.11 -0.34 0.00 0.00 178.44 178.16 3fa4 h LYS 259 N 0.52 0.74 0.11 1.25 1.79 -0.90 -0.77 116.57 119.30 3fa4 h LYS 259 Ca 0.41 -0.32 -0.17 0.00 -2.18 0.00 0.00 60.65 58.39 3fa4 h LYS 259 Cb 0.83 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.48 3fa4 h LYS 259 CO -0.16 0.93 -0.72 0.00 -1.08 0.00 0.00 179.45 178.42 3fa4 h ARG 260 N 0.63 0.29 0.00 3.15 3.08 -1.21 -3.38 114.38 116.95 3fa4 h ARG 260 Ca 0.08 -0.46 -0.14 0.00 0.07 0.00 0.00 59.98 59.53 3fa4 h ARG 260 Cb 0.79 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3fa4 h ARG 260 CO 0.07 1.20 -1.17 -0.44 -1.07 0.00 0.00 179.97 178.56 3fa4 h ASP 261 N -0.38 0.00 0.00 7.04 3.45 -1.00 -3.48 116.42 122.05 3fa4 h ASP 261 Ca -0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3fa4 h ASP 261 Cb 1.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.31 3fa4 h ASP 261 CO 0.14 0.51 0.00 0.61 -1.57 0.00 0.00 179.24 178.93 3fa4 n GLY 262 N 1.34 0.56 3.35 2.75 0.00 -0.30 -5.01 105.19 107.89 3fa4 n GLY 262 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3fa4 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa4 s ILE 263 N -2.36 0.01 0.22 -0.61 2.07 -1.25 -5.06 121.20 114.22 3fa4 s ILE 263 Ca 0.00 -0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.11 3fa4 s ILE 263 Cb 0.00 -0.66 0.17 0.00 0.13 0.00 0.00 42.46 42.10 3fa4 s ILE 263 CO 0.00 -0.03 1.80 -0.65 -1.91 0.00 0.00 174.94 174.15 3fa4 h PRO 264 N 5.06 0.67 -1.02 3.50 0.11 -1.92 -3.39 132.00 135.01 3fa4 h PRO 264 Ca -0.28 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.58 3fa4 h PRO 264 Cb 1.18 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 3fa4 h PRO 264 CO 0.25 0.44 -0.23 0.41 -0.21 0.00 0.00 178.00 178.66 3fa4 n GLY 265 N -1.30 0.55 3.49 -0.55 0.00 -1.26 -4.64 105.19 101.47 3fa4 n GLY 265 Ca 0.11 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 3fa4 n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fa4 n LEU 266 N -1.36 0.39 -4.69 0.99 4.32 -1.26 -4.91 117.00 110.47 3fa4 n LEU 266 Ca -0.12 1.04 -0.42 0.00 -0.02 0.00 0.00 56.01 56.50 3fa4 n LEU 266 Cb 0.47 -1.14 0.01 0.00 -1.62 0.00 0.00 43.42 41.14 3fa4 n LEU 266 CO 0.15 -2.40 0.84 0.47 -1.22 0.00 0.00 177.39 175.23 3fa4 n ASP 267 N 1.37 2.41 -0.58 -1.43 8.00 -1.26 -4.85 116.55 120.21 3fa4 n ASP 267 Ca 0.12 1.13 0.47 0.00 0.71 0.00 0.00 54.79 57.22 3fa4 n ASP 267 Cb 0.35 -1.47 0.78 0.00 -0.02 0.00 0.00 41.12 40.75 3fa4 n ASP 267 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3fa4 h LYS 268 N 2.15 0.02 0.00 -1.24 3.64 -2.06 0.13 116.57 119.21 3fa4 h LYS 268 Ca -0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3fa4 h LYS 268 Cb 1.30 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3fa4 h LYS 268 CO 0.60 0.01 -0.20 -0.85 -2.27 0.00 0.00 179.45 176.74 3fa4 n GLU 269 N -4.15 0.06 -2.75 1.90 0.00 -1.26 -4.58 120.64 109.87 3fa4 n GLU 269 Ca 0.40 0.04 -0.44 0.00 0.00 0.00 0.00 57.16 57.16 3fa4 n GLU 269 Cb 1.75 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 31.63 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fa4 n MET 270 N -1.66 3.34 -3.92 3.44 2.81 0.03 -4.70 117.12 116.45 3fa4 n MET 270 Ca 0.06 -3.63 -0.23 0.00 -1.81 0.00 0.00 57.70 52.09 3fa4 n MET 270 Cb 0.36 -3.15 -0.06 0.00 -0.71 0.00 0.00 33.22 29.67 3fa4 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa4 s THR 271 N 2.14 2.58 0.33 2.03 -4.23 -1.26 -4.91 115.64 112.31 3fa4 s THR 271 Ca 0.45 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 3fa4 s THR 271 Cb 0.01 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.93 3fa4 s THR 271 CO 0.02 -0.03 1.78 -0.65 -0.54 0.00 0.00 174.62 175.20 3fa4 h PRO 272 N 1.30 0.26 -0.40 3.99 0.11 -1.99 -2.89 132.00 132.38 3fa4 h PRO 272 Ca -0.42 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3fa4 h PRO 272 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3fa4 h PRO 272 CO 0.64 0.53 0.22 1.96 -0.21 0.00 0.00 178.00 181.14 3fa4 h GLN 273 N 0.23 0.56 -0.62 1.05 7.50 -1.95 -1.68 115.11 120.20 3fa4 h GLN 273 Ca 0.03 -0.07 0.12 0.00 0.50 0.00 0.00 58.65 59.24 3fa4 h GLN 273 Cb 0.63 -0.11 -0.12 0.00 0.05 0.00 0.00 27.48 27.93 3fa4 h GLN 273 CO 0.05 0.45 -0.16 1.98 -1.50 0.00 0.00 178.83 179.65 3fa4 h MET 274 N 0.52 -0.00 0.00 1.46 4.05 -1.81 -0.57 114.93 118.58 3fa4 h MET 274 Ca 0.14 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 3fa4 h MET 274 Cb 0.06 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3fa4 h MET 274 CO -0.02 -0.00 -0.30 1.25 0.23 0.00 0.00 176.91 178.06 3fa4 h LEU 275 N -0.00 0.00 -0.29 3.39 5.85 -1.22 -1.40 115.31 121.65 3fa4 h LEU 275 Ca 0.30 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.82 3fa4 h LEU 275 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3fa4 h LEU 275 CO -0.64 0.30 -0.86 -0.26 -0.34 0.00 0.00 178.44 176.64 3fa4 h PHE 276 N 0.00 0.43 0.14 1.25 0.05 -0.23 -1.39 116.94 117.20 3fa4 h PHE 276 Ca -0.00 -0.23 -0.28 0.00 3.82 0.00 0.00 57.97 61.28 3fa4 h PHE 276 Cb 0.56 -0.05 0.01 0.00 2.00 0.00 0.00 35.95 38.46 3fa4 h PHE 276 CO 0.00 1.02 -1.27 0.07 -0.18 0.00 0.00 178.31 177.95 3fa4 h ARG 277 N 0.17 0.31 -0.93 1.51 0.11 -1.16 -0.57 114.38 113.82 3fa4 h ARG 277 Ca -0.05 -0.52 0.16 0.00 0.10 0.00 0.00 59.98 59.67 3fa4 h ARG 277 Cb 1.48 0.19 -0.08 0.00 1.11 0.00 0.00 29.97 32.67 3fa4 h ARG 277 CO 0.14 1.25 0.59 0.28 0.10 0.00 0.00 179.97 182.33 3fa4 h VAL 278 N 0.08 0.78 -0.43 0.08 2.07 -1.22 -2.19 116.25 115.42 3fa4 h VAL 278 Ca -0.15 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3fa4 h VAL 278 Cb 2.00 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3fa4 h VAL 278 CO 0.21 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.97 3fa4 n GLY 280 N 0.34 0.72 0.23 0.00 0.00 -0.82 -4.99 105.19 100.67 3fa4 n GLY 280 Ca 0.22 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 3fa4 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa4 h LEU 281 N 0.00 -0.44 -1.98 0.99 5.85 -1.26 -2.17 115.31 116.30 3fa4 h LEU 281 Ca 0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 3fa4 h LEU 281 Cb 0.88 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3fa4 h LEU 281 CO 0.00 -0.30 0.55 0.44 -0.34 0.00 0.00 178.44 178.79 3fa4 h ASP 282 N -0.55 0.02 0.24 1.25 3.32 -1.87 0.25 116.42 119.08 3fa4 h ASP 282 Ca -0.05 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.68 3fa4 h ASP 282 Cb 0.42 -0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.00 3fa4 h ASP 282 CO 0.09 0.01 -1.40 -0.08 -1.72 0.00 0.00 179.24 176.13 3fa4 h GLU 283 N 0.02 0.50 -0.90 3.56 4.81 -1.96 -3.09 114.58 117.52 3fa4 h GLU 283 Ca 0.36 -0.86 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3fa4 h GLU 283 Cb 1.43 0.32 -0.06 0.00 0.63 0.00 0.00 28.75 31.07 3fa4 h GLU 283 CO -0.01 1.41 0.59 0.77 -0.73 0.00 0.00 179.01 181.04 3fa4 h SER 284 N 0.07 0.91 0.28 1.04 0.02 -0.53 -1.37 113.55 113.98 3fa4 h SER 284 Ca -0.25 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3fa4 h SER 284 Cb 2.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.43 3fa4 h SER 284 CO 0.25 0.59 -0.33 0.24 -1.14 0.00 0.00 176.83 176.45 3fa4 h MET 285 N 1.04 0.07 0.02 3.45 2.86 -1.06 -2.53 114.93 118.77 3fa4 h MET 285 Ca 0.39 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.90 3fa4 h MET 285 Cb 0.18 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.85 3fa4 h MET 285 CO -0.14 0.39 -0.41 -0.22 1.06 0.00 0.00 176.91 177.59 3fa4 h LYS 286 N 0.06 0.24 -0.39 1.72 3.64 -1.35 -1.53 116.57 118.96 3fa4 h LYS 286 Ca 0.01 -0.29 0.08 0.00 -1.27 0.00 0.00 60.65 59.18 3fa4 h LYS 286 Cb 0.61 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.44 3fa4 h LYS 286 CO 0.04 1.03 -0.20 0.28 -2.27 0.00 0.00 179.45 178.34 3fa4 h VAL 287 N -0.42 0.42 0.36 2.00 2.07 -1.16 0.29 116.25 119.82 3fa4 h VAL 287 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3fa4 h VAL 287 Cb 1.19 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3fa4 h VAL 287 CO 0.08 0.00 -0.17 -0.78 0.02 0.00 0.00 177.57 176.71 3fa4 h ASP 288 N -0.13 -0.41 -0.95 0.57 1.82 -1.52 -2.09 116.42 113.71 3fa4 h ASP 288 Ca 0.19 -0.09 0.21 0.00 -0.39 0.00 0.00 57.03 56.94 3fa4 h ASP 288 Cb 0.42 0.11 -0.11 0.00 0.68 0.00 0.00 39.33 40.43 3fa4 h ASP 288 CO -0.47 -0.15 0.52 0.00 -1.61 0.00 0.00 179.24 177.54 3fa4 h ALA 289 N -0.12 1.58 -0.07 -0.78 0.00 -1.18 -2.60 119.26 116.09 3fa4 h ALA 289 Ca -0.05 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3fa4 h ALA 289 Cb 0.48 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fa4 h ALA 289 CO 0.08 -0.20 -0.75 0.37 0.00 0.00 0.00 179.25 178.75 3fa4 h GLN 290 N 0.59 0.39 0.00 0.00 4.15 -0.17 -2.95 115.11 117.11 3fa4 h GLN 290 Ca 0.58 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 3fa4 h GLN 290 Cb 1.00 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 3fa4 h GLN 290 CO -0.45 0.97 -0.03 0.00 -1.93 0.00 0.00 178.83 177.39 3fa4 h ALA 291 N 0.93 1.06 0.00 3.38 0.00 -1.00 -3.51 119.26 120.12 3fa4 h ALA 291 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fa4 h ALA 291 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3fa4 h ALA 291 CO 0.13 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.83