#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 h ALA 6 N 0.00 1.00 -0.55 2.41 0.00 -1.80 -2.77 119.26 117.55 3fa4 h ALA 6 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3fa4 h ALA 6 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fa4 h ALA 6 CO 0.00 0.00 0.40 0.00 0.00 0.00 0.00 179.25 179.65 3fa4 h ALA 7 N 2.21 2.50 0.05 0.00 0.00 -1.81 -2.30 119.26 119.92 3fa4 h ALA 7 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3fa4 h ALA 7 Cb 0.49 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fa4 h ALA 7 CO 0.00 -0.68 -1.10 1.15 0.00 0.00 0.00 179.25 178.62 3fa4 h THR 8 N 0.00 1.29 -0.01 0.00 2.02 -1.75 -2.38 112.91 112.09 3fa4 h THR 8 Ca 0.26 -2.32 -0.16 0.00 0.77 0.00 0.00 66.41 64.96 3fa4 h THR 8 Cb 1.06 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 3fa4 h THR 8 CO -0.00 0.71 -0.72 0.77 0.37 0.00 0.00 175.52 176.65 3fa4 h SER 9 N 0.32 0.09 0.19 4.18 4.64 -1.67 -2.65 113.55 118.65 3fa4 h SER 9 Ca -0.15 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3fa4 h SER 9 Cb 1.76 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3fa4 h SER 9 CO 0.21 0.78 -0.09 0.25 -0.87 0.00 0.00 176.83 177.11 3fa4 h LEU 10 N 0.05 -0.22 -0.95 5.97 5.85 -1.48 -1.32 115.31 123.21 3fa4 h LEU 10 Ca -0.01 -0.19 0.16 0.00 0.84 0.00 0.00 57.88 58.68 3fa4 h LEU 10 Cb 1.28 0.06 -0.16 0.00 0.37 0.00 0.00 40.66 42.20 3fa4 h LEU 10 CO 0.10 0.07 -0.33 -1.14 -0.34 0.00 0.00 178.44 176.80 3fa4 n ARG 11 N -5.09 -0.18 -0.09 1.25 3.00 -0.90 -1.25 116.66 113.41 3fa4 n ARG 11 Ca -0.09 1.47 -0.07 0.00 -0.00 0.00 0.00 57.85 59.15 3fa4 n ARG 11 Cb 0.21 -2.18 0.09 0.00 0.00 0.00 0.00 32.46 30.58 3fa4 n ARG 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fa4 h ARG 12 N 0.00 0.78 -0.02 -0.14 3.08 -1.14 -1.87 114.38 115.07 3fa4 h ARG 12 Ca 0.37 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3fa4 h ARG 12 Cb 0.61 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3fa4 h ARG 12 CO -0.95 0.92 0.01 0.00 -1.07 0.00 0.00 179.97 178.87 3fa4 h ALA 13 N 1.09 0.03 0.00 0.04 0.00 -0.83 -1.95 119.26 117.64 3fa4 h ALA 13 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fa4 h ALA 13 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3fa4 h ALA 13 CO 0.05 -0.39 0.00 -0.07 0.00 0.00 0.00 179.25 178.84 3fa4 h LEU 14 N -0.11 0.00 0.00 0.00 3.38 -0.99 0.62 115.31 118.21 3fa4 h LEU 14 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fa4 h LEU 14 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fa4 h LEU 14 CO -0.00 0.00 -0.42 -0.62 0.09 0.00 0.00 178.44 177.49 3fa4 n GLU 15 N -2.46 0.06 -3.32 1.13 1.02 -0.72 -4.80 120.64 111.56 3fa4 n GLU 15 Ca -0.02 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3fa4 n GLU 15 Cb 0.06 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 29.85 3fa4 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa4 s ASN 16 N -3.27 6.19 0.32 1.62 3.84 0.22 -4.97 114.94 118.88 3fa4 s ASN 16 Ca 0.11 -0.73 0.07 0.00 0.21 0.00 0.00 52.86 52.51 3fa4 s ASN 16 Cb 0.17 -2.22 0.90 0.00 -0.55 0.00 0.00 41.25 39.55 3fa4 s ASN 16 CO 0.67 -0.59 1.58 -0.65 -2.79 0.00 0.00 177.10 175.32 3fa4 h PRO 17 N 8.74 0.04 -0.01 0.43 0.11 -1.87 -1.51 132.00 137.93 3fa4 h PRO 17 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3fa4 h PRO 17 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fa4 h PRO 17 CO 0.80 0.02 -0.22 -0.25 -0.21 0.00 0.00 178.00 178.15 3fa4 n ASP 18 N -5.39 0.76 -4.76 -2.05 8.00 -1.26 -4.89 116.55 106.96 3fa4 n ASP 18 Ca 0.27 -0.68 -0.39 0.00 0.71 0.00 0.00 54.79 54.69 3fa4 n ASP 18 Cb 0.89 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.99 3fa4 n ASP 18 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fa4 s SER 19 N -2.55 7.29 -0.02 -2.24 0.01 -0.57 -5.05 113.70 110.56 3fa4 s SER 19 Ca 0.24 2.09 0.01 0.00 1.31 0.00 0.00 55.95 59.61 3fa4 s SER 19 Cb 0.19 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.83 3fa4 s SER 19 CO 0.52 -0.11 -0.02 0.12 0.41 0.00 0.00 173.24 174.15 3fa4 s PHE 20 N -1.31 0.43 -0.17 2.43 5.36 -1.26 -4.89 117.98 118.56 3fa4 s PHE 20 Ca 0.47 -0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 56.31 3fa4 s PHE 20 Cb -0.27 -0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.97 3fa4 s PHE 20 CO 0.34 -0.10 0.01 0.42 -1.46 0.00 0.00 175.22 174.43 3fa4 s ILE 21 N 0.62 4.25 -0.21 3.12 1.01 -0.60 -5.02 121.20 124.38 3fa4 s ILE 21 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3fa4 s ILE 21 Cb -0.10 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.51 3fa4 s ILE 21 CO -0.01 0.47 -0.13 -0.69 0.00 0.00 0.00 174.94 174.58 3fa4 s VAL 22 N 0.49 1.91 -0.18 2.92 1.01 -1.26 -1.06 120.40 124.22 3fa4 s VAL 22 Ca -0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 3fa4 s VAL 22 Cb -0.14 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.39 3fa4 s VAL 22 CO 0.02 0.23 0.03 0.00 0.00 0.00 0.00 175.10 175.38 3fa4 s ALA 23 N 1.29 0.99 0.68 5.51 0.00 -0.78 -3.47 121.76 125.97 3fa4 s ALA 23 Ca -0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 3fa4 s ALA 23 Cb -0.16 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.82 3fa4 s ALA 23 CO -0.09 -1.11 1.11 -2.14 0.00 0.00 0.00 175.76 173.53 3fa4 s PRO 24 N 1.86 2.68 -0.06 0.00 0.02 -1.25 -2.02 135.00 136.24 3fa4 s PRO 24 Ca -0.00 1.37 -0.24 0.00 0.02 0.00 0.00 61.00 62.14 3fa4 s PRO 24 Cb -0.17 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 3fa4 s PRO 24 CO -0.08 -1.34 0.75 0.20 -0.33 0.00 0.00 177.00 176.20 3fa4 s GLY 25 N -2.68 2.66 -0.01 0.52 0.00 0.15 0.52 107.32 108.49 3fa4 s GLY 25 Ca 0.66 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.56 3fa4 s GLY 25 CO 0.44 1.27 0.04 0.14 0.00 0.00 0.00 173.10 174.99 3fa4 s VAL 26 N 0.85 0.04 0.00 1.40 1.01 0.47 -2.95 120.40 121.21 3fa4 s VAL 26 Ca 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3fa4 s VAL 26 Cb -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3fa4 s VAL 26 CO 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.12 3fa4 n TYR 27 N 2.48 0.00 -3.31 5.22 4.11 -1.26 -2.18 117.16 122.22 3fa4 n TYR 27 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 3fa4 n TYR 27 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 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 -0.43 0.00 -0.04 9.48 5.75 -1.26 -4.46 116.55 125.59 3fa4 n ASP 28 Ca 0.00 -0.99 -0.11 0.00 -0.01 0.00 0.00 54.79 53.68 3fa4 n ASP 28 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.00 0.26 0.93 6.12 0.00 -1.96 -2.62 103.07 105.79 3fa4 h GLY 29 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3fa4 h GLY 29 CO 0.00 0.12 -0.25 1.41 0.00 0.00 0.00 176.54 177.83 3fa4 h LEU 30 N 0.12 -0.61 -1.80 3.11 3.38 -1.99 -2.41 115.31 115.11 3fa4 h LEU 30 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3fa4 h LEU 30 Cb 0.14 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fa4 h LEU 30 CO -0.01 -0.40 0.17 0.77 0.09 0.00 0.00 178.44 179.07 3fa4 h SER 31 N -0.64 0.22 -0.06 -0.43 4.64 -1.98 -1.52 113.55 113.79 3fa4 h SER 31 Ca -0.05 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3fa4 h SER 31 Cb 0.51 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3fa4 h SER 31 CO 0.07 0.16 -0.02 0.00 -0.87 0.00 0.00 176.83 176.16 3fa4 h ALA 32 N 1.85 0.08 -1.01 5.18 0.00 -1.31 -0.69 119.26 123.37 3fa4 h ALA 32 Ca 0.10 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3fa4 h ALA 32 Cb 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3fa4 h ALA 32 CO -0.02 -0.19 0.65 0.00 0.00 0.00 0.00 179.25 179.69 3fa4 h ARG 33 N -0.24 1.15 0.02 0.00 2.47 -1.25 -1.62 114.38 114.91 3fa4 h ARG 33 Ca 0.01 -0.07 -0.23 0.00 -1.26 0.00 0.00 59.98 58.43 3fa4 h ARG 33 Cb 0.43 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3fa4 h ARG 33 CO 0.01 0.76 -0.99 0.28 0.56 0.00 0.00 179.97 180.59 3fa4 h VAL 34 N 1.19 1.42 0.29 2.04 2.07 -1.14 -2.35 116.25 119.77 3fa4 h VAL 34 Ca 0.43 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 3fa4 h VAL 34 Cb 0.16 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3fa4 h VAL 34 CO -0.17 0.76 -0.14 0.00 0.02 0.00 0.00 177.57 178.04 3fa4 h ALA 35 N 0.73 -0.39 -0.75 1.67 0.00 -0.75 -2.89 119.26 116.88 3fa4 h ALA 35 Ca -0.09 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.83 3fa4 h ALA 35 Cb 1.64 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.47 3fa4 h ALA 35 CO 0.17 -0.61 0.21 -0.07 0.00 0.00 0.00 179.25 178.94 3fa4 h LEU 36 N -0.60 0.07 -1.08 0.00 -0.00 -1.38 -2.53 115.31 109.80 3fa4 h LEU 36 Ca -0.04 0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.94 3fa4 h LEU 36 Cb 0.43 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 3fa4 h LEU 36 CO 0.07 -0.02 -0.22 0.28 -0.00 0.00 0.00 178.44 178.55 3fa4 h SER 37 N 0.30 0.00 0.83 -0.43 0.02 -1.40 -0.81 113.55 112.05 3fa4 h SER 37 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3fa4 h SER 37 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3fa4 h SER 37 CO -0.50 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.41 3fa4 n ALA 38 N -2.22 1.97 0.00 3.77 0.00 -0.96 -4.90 120.51 118.17 3fa4 n ALA 38 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3fa4 n ALA 38 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.68 0.88 3.66 0.00 0.00 -0.31 -5.09 105.19 105.00 3fa4 n GLY 39 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3fa4 n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fa4 n PHE 40 N -1.39 1.16 0.31 1.61 3.01 -1.17 -4.97 117.46 116.01 3fa4 n PHE 40 Ca 0.00 0.42 0.03 0.00 1.01 0.00 0.00 57.45 58.91 3fa4 n PHE 40 Cb 0.00 -2.16 -0.02 0.00 -0.01 0.00 0.00 39.48 37.29 3fa4 n PHE 40 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fa4 n ASP 41 N -1.56 0.70 -3.81 4.37 8.00 -1.26 -4.74 116.55 118.24 3fa4 n ASP 41 Ca 0.14 -0.85 -0.09 0.00 0.71 0.00 0.00 54.79 54.70 3fa4 n ASP 41 Cb 0.48 0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 42.22 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 -1.32 -0.41 0.09 2.24 0.00 -1.23 -3.97 121.76 117.16 3fa4 s ALA 42 Ca 0.04 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.56 3fa4 s ALA 42 Cb 0.05 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 3fa4 s ALA 42 CO 0.22 -0.60 -0.14 -0.51 0.00 0.00 0.00 175.76 174.72 3fa4 s LEU 43 N -2.87 2.32 -0.13 0.00 1.43 -0.55 -3.92 118.68 114.96 3fa4 s LEU 43 Ca 0.08 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3fa4 s LEU 43 Cb 0.03 -0.53 0.02 0.00 0.03 0.00 0.00 46.19 45.74 3fa4 s LEU 43 CO -0.08 -0.10 -0.13 -0.47 0.23 0.00 0.00 176.35 175.80 3fa4 s TYR 44 N -1.58 1.98 -0.53 0.29 5.04 0.18 -0.89 117.35 121.84 3fa4 s TYR 44 Ca 0.02 -1.06 -0.24 0.00 -2.44 0.00 0.00 57.07 53.35 3fa4 s TYR 44 Cb -0.08 -1.48 0.04 0.00 0.35 0.00 0.00 41.96 40.79 3fa4 s TYR 44 CO 0.02 -0.60 0.92 1.41 -1.34 0.00 0.00 175.55 175.97 3fa4 s MET 45 N 1.43 3.36 0.03 4.97 -2.45 -0.56 -0.39 119.30 125.69 3fa4 s MET 45 Ca 0.03 -0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 53.96 3fa4 s MET 45 Cb -0.13 -4.03 -0.06 0.00 1.25 0.00 0.00 34.83 31.87 3fa4 s MET 45 CO -0.08 -1.41 1.34 -0.08 1.05 0.00 0.00 175.02 175.83 3fa4 s THR 46 N 3.85 3.75 0.13 10.11 -1.32 -0.93 -2.35 115.64 128.88 3fa4 s THR 46 Ca 0.31 1.18 -0.13 0.00 -1.21 0.00 0.00 61.69 61.84 3fa4 s THR 46 Cb -0.12 -3.76 -0.01 0.00 -1.51 0.00 0.00 72.50 67.10 3fa4 s THR 46 CO 0.20 0.03 1.56 1.23 -2.21 0.00 0.00 174.62 175.44 3fa4 h GLY 47 N 7.77 0.86 0.88 6.08 0.00 -1.92 -0.21 103.07 116.53 3fa4 h GLY 47 Ca -0.39 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 3fa4 h GLY 47 CO 0.88 0.62 -0.02 0.00 0.00 0.00 0.00 176.54 178.01 3fa4 h ALA 48 N 0.88 -0.06 -0.75 3.60 0.00 -1.97 -1.24 119.26 119.71 3fa4 h ALA 48 Ca 0.12 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3fa4 h ALA 48 Cb 0.57 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3fa4 h ALA 48 CO 0.03 -0.47 0.42 0.78 0.00 0.00 0.00 179.25 180.01 3fa4 h GLY 49 N -0.19 1.13 1.01 0.00 0.00 -1.91 -2.14 103.07 100.96 3fa4 h GLY 49 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3fa4 h GLY 49 CO 0.01 0.14 0.44 0.00 0.00 0.00 0.00 176.54 177.14 3fa4 h THR 50 N 0.74 1.20 -0.15 4.70 1.03 -0.81 -1.58 112.91 118.05 3fa4 h THR 50 Ca 0.35 -0.43 0.04 0.00 -0.01 0.00 0.00 66.41 66.36 3fa4 h THR 50 Cb 0.27 0.19 -0.04 0.00 -1.07 0.00 0.00 68.15 67.50 3fa4 h THR 50 CO -0.22 0.21 -0.12 0.00 -0.01 0.00 0.00 175.52 175.38 3fa4 h ALA 51 N 1.24 -0.01 -0.03 0.00 0.00 -0.62 0.14 119.26 119.98 3fa4 h ALA 51 Ca 0.26 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3fa4 h ALA 51 Cb -0.05 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3fa4 h ALA 51 CO -0.05 -0.57 -0.26 0.00 0.00 0.00 0.00 179.25 178.38 3fa4 h ALA 52 N 0.96 -0.33 -0.01 0.00 0.00 -1.18 -0.72 119.26 117.99 3fa4 h ALA 52 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fa4 h ALA 52 Cb 0.28 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3fa4 h ALA 52 CO -0.23 -0.75 -0.01 1.03 0.00 0.00 0.00 179.25 179.29 3fa4 h SER 53 N -0.38 0.02 1.40 0.00 0.87 -1.16 0.21 113.55 114.50 3fa4 h SER 53 Ca 0.07 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3fa4 h SER 53 Cb 0.48 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3fa4 h SER 53 CO -0.24 0.58 -0.21 -0.37 -0.53 0.00 0.00 176.83 176.06 3fa4 h VAL 54 N -0.54 0.00 0.00 2.23 -1.51 -0.77 -3.38 116.25 112.28 3fa4 h VAL 54 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3fa4 h VAL 54 Cb 0.58 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3fa4 h VAL 54 CO 0.00 0.00 -0.36 1.41 -1.23 0.00 0.00 177.57 177.39 3fa4 n HIS 55 N -2.42 0.00 -3.50 5.19 8.25 -0.29 -5.04 115.22 117.41 3fa4 n HIS 55 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 3fa4 n HIS 55 Cb 0.46 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.64 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 1.05 -0.50 3.10 -1.41 0.00 0.72 -4.97 105.19 103.18 3fa4 n GLY 56 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 3fa4 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa4 s GLN 57 N -6.21 0.64 1.19 1.61 2.00 -1.22 -4.96 119.66 112.72 3fa4 s GLN 57 Ca 0.54 -0.90 -0.15 0.00 -2.00 0.00 0.00 55.36 52.84 3fa4 s GLN 57 Cb -0.24 -0.38 0.29 0.00 0.80 0.00 0.00 33.01 33.48 3fa4 s GLN 57 CO 0.67 0.06 1.03 0.00 -0.50 0.00 0.00 175.29 176.55 3fa4 s ALA 58 N -1.76 -0.20 -0.83 1.58 0.00 -1.26 -2.66 121.76 116.63 3fa4 s ALA 58 Ca -0.04 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 3fa4 s ALA 58 Cb -0.07 -3.12 0.13 0.00 0.00 0.00 0.00 23.12 20.06 3fa4 s ALA 58 CO -0.00 -3.80 0.98 0.34 0.00 0.00 0.00 175.76 173.28 3fa4 s ASP 59 N -2.97 6.52 -0.03 0.00 3.68 -1.26 -4.69 116.67 117.92 3fa4 s ASP 59 Ca 0.68 -1.92 0.05 0.00 2.13 0.00 0.00 52.55 53.49 3fa4 s ASP 59 Cb -0.20 -2.36 0.07 0.00 -1.45 0.00 0.00 42.92 38.99 3fa4 s ASP 59 CO 0.61 -1.04 1.02 0.18 0.13 0.00 0.00 175.17 176.07 3fa4 n LEU 60 N 6.25 0.62 -1.16 -1.34 4.77 -1.26 -4.83 117.00 120.05 3fa4 n LEU 60 Ca 0.14 -1.51 -0.08 0.00 -0.03 0.00 0.00 56.01 54.53 3fa4 n LEU 60 Cb 0.47 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 3fa4 n LEU 60 CO 0.51 0.36 -0.03 0.61 -1.33 0.00 0.00 177.39 177.51 3fa4 n GLY 61 N -0.37 0.19 0.12 -0.72 0.00 -1.26 -4.92 105.19 98.23 3fa4 n GLY 61 Ca 0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3fa4 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa4 h ILE 62 N -0.38 1.25 -3.92 -0.61 1.08 -1.93 -3.47 117.51 109.53 3fa4 h ILE 62 Ca -0.19 -2.83 -0.50 0.00 -0.39 0.00 0.00 64.86 60.95 3fa4 h ILE 62 Cb 1.13 2.86 0.04 0.00 -3.07 0.00 0.00 36.82 37.78 3fa4 h ILE 62 CO 0.21 0.84 0.48 0.00 -0.69 0.00 0.00 178.15 178.99 3fa4 s THR 64 N -1.43 2.29 0.17 0.00 -1.32 -1.26 -4.92 115.64 109.16 3fa4 s THR 64 Ca 0.55 -0.91 -0.15 0.00 -1.21 0.00 0.00 61.69 59.97 3fa4 s THR 64 Cb -0.29 -2.38 0.05 0.00 -1.51 0.00 0.00 72.50 68.38 3fa4 s THR 64 CO 0.36 0.00 1.76 0.25 -2.21 0.00 0.00 174.62 174.78 3fa4 h LEU 65 N 0.11 0.20 -0.49 9.08 5.85 -1.96 -1.12 115.31 126.97 3fa4 h LEU 65 Ca -0.33 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.53 3fa4 h LEU 65 Cb 1.28 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.23 3fa4 h LEU 65 CO 0.42 0.15 -0.21 0.78 -0.34 0.00 0.00 178.44 179.23 3fa4 h ASN 66 N 0.35 -0.74 -0.50 1.25 4.21 -1.98 -0.41 115.58 117.75 3fa4 h ASN 66 Ca 0.19 0.18 -0.04 0.00 1.21 0.00 0.00 56.30 57.84 3fa4 h ASN 66 Cb 0.16 0.41 -0.02 0.00 -1.12 0.00 0.00 38.32 37.75 3fa4 h ASN 66 CO -0.18 -0.24 0.14 0.44 -1.29 0.00 0.00 177.43 176.30 3fa4 h ASP 67 N -0.11 0.74 0.26 5.81 3.32 -1.87 -1.83 116.42 122.75 3fa4 h ASP 67 Ca 0.23 -0.22 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 3fa4 h ASP 67 Cb 0.46 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3fa4 h ASP 67 CO -0.56 0.76 -0.92 0.24 -1.72 0.00 0.00 179.24 177.04 3fa4 h MET 68 N 0.69 0.46 -0.15 3.56 2.86 -0.95 -2.96 114.93 118.43 3fa4 h MET 68 Ca 0.16 -0.48 -0.15 0.00 -2.06 0.00 0.00 59.70 57.17 3fa4 h MET 68 Cb 0.30 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3fa4 h MET 68 CO -0.00 1.13 -0.54 -0.09 1.06 0.00 0.00 176.91 178.47 3fa4 h ARG 69 N 0.27 0.45 0.09 1.72 1.12 -1.07 -2.46 114.38 114.50 3fa4 h ARG 69 Ca -0.08 -0.28 -0.00 0.00 -1.11 0.00 0.00 59.98 58.51 3fa4 h ARG 69 Cb 1.56 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.55 3fa4 h ARG 69 CO 0.16 0.87 -0.04 0.00 -3.11 0.00 0.00 179.97 177.85 3fa4 h ALA 70 N 1.08 -0.12 -0.71 2.80 0.00 -1.33 -1.83 119.26 119.15 3fa4 h ALA 70 Ca 0.01 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 70 Cb 1.05 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 3fa4 h ALA 70 CO 0.09 -0.31 0.15 -0.97 0.00 0.00 0.00 179.25 178.21 3fa4 h ASN 71 N -0.62 -0.04 0.79 0.00 -0.00 -1.59 -2.49 115.58 111.63 3fa4 h ASN 71 Ca -0.01 0.15 -0.19 0.00 -0.00 0.00 0.00 56.30 56.24 3fa4 h ASN 71 Cb 0.51 0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 39.02 3fa4 h ASN 71 CO 0.02 -0.05 -0.90 0.00 -0.00 0.00 0.00 177.43 176.50 3fa4 h ALA 72 N 1.60 0.52 -0.35 1.57 0.00 -1.45 -1.78 119.26 119.37 3fa4 h ALA 72 Ca 0.39 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3fa4 h ALA 72 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fa4 h ALA 72 CO -0.51 1.04 -0.04 1.49 0.00 0.00 0.00 179.25 181.24 3fa4 h GLU 73 N 0.03 0.64 -0.19 0.00 4.81 -1.15 -2.10 114.58 116.62 3fa4 h GLU 73 Ca -0.03 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 58.82 3fa4 h GLU 73 Cb 1.56 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 3fa4 h GLU 73 CO 0.12 0.78 -0.54 0.00 -0.73 0.00 0.00 179.01 178.65 3fa4 h MET 74 N 0.43 0.56 0.00 1.92 -0.00 -1.40 -2.69 114.93 113.75 3fa4 h MET 74 Ca 0.09 -0.34 -0.00 0.00 -0.00 0.00 0.00 59.70 59.45 3fa4 h MET 74 Cb 0.52 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 3fa4 h MET 74 CO 0.03 0.95 -0.00 0.82 -0.00 0.00 0.00 176.91 178.70 3fa4 h ILE 75 N 0.43 1.05 -0.44 -0.10 2.04 -1.36 -3.01 117.51 116.12 3fa4 h ILE 75 Ca 0.01 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 65.83 3fa4 h ILE 75 Cb 1.08 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3fa4 h ILE 75 CO 0.10 0.04 0.39 0.28 0.00 0.00 0.00 178.15 178.97 3fa4 h SER 76 N -0.08 0.00 -0.00 1.72 0.02 -1.30 -3.03 113.55 110.87 3fa4 h SER 76 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fa4 h SER 76 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3fa4 h SER 76 CO 0.00 0.00 -0.66 0.59 -1.14 0.00 0.00 176.83 175.62 3fa4 n ASN 77 N -4.00 1.16 -0.24 3.07 3.02 -1.02 -3.47 115.26 113.78 3fa4 n ASN 77 Ca 0.08 -1.08 0.07 0.00 -0.03 0.00 0.00 54.58 53.61 3fa4 n ASN 77 Cb 0.58 0.81 0.32 0.00 -0.61 0.00 0.00 39.78 40.88 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 0.74 0.99 -2.02 2.41 2.04 -1.40 -3.37 117.51 116.90 3fa4 h ILE 78 Ca 0.00 -0.28 -0.33 0.00 1.00 0.00 0.00 64.86 65.25 3fa4 h ILE 78 Cb 0.49 0.09 -0.32 0.00 -0.74 0.00 0.00 36.82 36.34 3fa4 h ILE 78 CO 0.00 0.15 -0.65 -0.55 0.00 0.00 0.00 178.15 177.10 3fa4 s SER 79 N -6.05 1.34 0.44 1.72 0.15 -1.26 -5.05 113.70 105.00 3fa4 s SER 79 Ca -0.10 -1.06 0.29 0.00 0.70 0.00 0.00 55.95 55.78 3fa4 s SER 79 Cb 0.20 0.59 0.99 0.00 -1.71 0.00 0.00 66.02 66.09 3fa4 s SER 79 CO 0.78 -0.33 1.82 -0.65 1.20 0.00 0.00 173.24 176.06 3fa4 h PRO 80 N 7.76 0.00 0.00 5.44 0.11 -1.73 -1.45 132.00 142.14 3fa4 h PRO 80 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3fa4 h PRO 80 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fa4 h PRO 80 CO 0.27 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.49 3fa4 n SER 81 N -2.87 0.30 -4.51 -2.05 7.64 -1.26 -3.98 113.62 106.89 3fa4 n SER 81 Ca 0.02 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.03 3fa4 n SER 81 Cb 0.36 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.84 3fa4 n SER 81 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fa4 s THR 82 N -3.06 5.23 0.07 0.44 2.01 -0.55 -4.92 115.64 114.87 3fa4 s THR 82 Ca 0.11 -0.31 -0.34 0.00 0.31 0.00 0.00 61.69 61.46 3fa4 s THR 82 Cb 0.15 -3.73 -0.13 0.00 0.01 0.00 0.00 72.50 68.80 3fa4 s THR 82 CO 0.51 -0.06 1.67 -2.65 -0.69 0.00 0.00 174.62 173.40 3fa4 n PRO 83 N 5.11 2.11 -3.97 4.92 -0.02 -1.25 -4.78 135.00 137.12 3fa4 n PRO 83 Ca -0.12 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3fa4 n PRO 83 Cb 0.49 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.99 3.82 -0.38 -1.45 1.01 -1.26 -1.49 120.40 122.64 3fa4 s VAL 84 Ca 0.84 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 3fa4 s VAL 84 Cb -0.70 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3fa4 s VAL 84 CO 0.43 0.41 0.35 -0.63 0.00 0.00 0.00 175.10 175.66 3fa4 s ILE 85 N 1.27 5.19 -0.12 2.22 1.01 -0.06 -1.43 121.20 129.27 3fa4 s ILE 85 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3fa4 s ILE 85 Cb -0.15 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3fa4 s ILE 85 CO 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 174.94 174.69 3fa4 s ALA 86 N 1.92 3.10 0.20 9.38 0.00 -0.42 -1.50 121.76 134.43 3fa4 s ALA 86 Ca 0.09 -0.82 -0.32 0.00 0.00 0.00 0.00 51.96 50.90 3fa4 s ALA 86 Cb -0.17 -1.50 -0.14 0.00 0.00 0.00 0.00 23.12 21.30 3fa4 s ALA 86 CO 0.12 0.37 1.36 -3.47 0.00 0.00 0.00 175.76 174.14 3fa4 n ASP 87 N 2.94 2.32 -0.05 0.00 -0.08 -0.99 -2.70 116.55 117.98 3fa4 n ASP 87 Ca -0.18 1.13 0.03 0.00 -1.51 0.00 0.00 54.79 54.26 3fa4 n ASP 87 Cb 0.53 -1.35 0.04 0.00 2.34 0.00 0.00 41.12 42.68 3fa4 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fa4 n ALA 88 N 2.06 1.95 -0.25 -1.67 0.00 -0.96 -4.85 120.51 116.79 3fa4 n ALA 88 Ca 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.20 3fa4 n ALA 88 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.66 0.00 -1.34 0.00 8.00 -1.24 -0.06 116.55 121.25 3fa4 n ASP 89 Ca 0.04 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.66 3fa4 n ASP 89 Cb 0.41 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.83 3fa4 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa4 n THR 90 N 0.00 1.00 -0.95 -3.53 -2.24 -1.26 -1.31 114.28 105.99 3fa4 n THR 90 Ca 0.00 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3fa4 n THR 90 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.62 0.68 2.30 3.38 0.00 0.91 -4.49 105.19 109.58 3fa4 n GLY 91 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.63 -0.06 0.00 1.61 4.02 -1.26 -2.90 117.16 115.94 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 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 39.34 37.24 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 -1.60 -0.27 0.00 2.72 0.00 -1.26 -4.87 105.19 99.91 3fa4 n GLY 93 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.66 0.28 -0.02 0.00 -1.26 -4.60 105.19 97.93 3fa4 n GLY 94 Ca 0.00 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.59 3fa4 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa4 h PRO 95 N 0.00 0.00 -0.65 1.61 0.11 -1.97 -0.07 132.00 131.04 3fa4 h PRO 95 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3fa4 h PRO 95 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3fa4 h PRO 95 CO 0.00 0.03 0.28 0.82 -0.21 0.00 0.00 178.00 178.92 3fa4 h ILE 96 N 0.00 1.23 -0.03 4.15 1.08 -1.98 -1.46 117.51 120.50 3fa4 h ILE 96 Ca -0.00 -0.70 -0.18 0.00 -0.39 0.00 0.00 64.86 63.58 3fa4 h ILE 96 Cb 0.08 0.49 0.01 0.00 -3.07 0.00 0.00 36.82 34.34 3fa4 h ILE 96 CO 0.00 0.28 -0.70 0.24 -0.69 0.00 0.00 178.15 177.28 3fa4 h MET 97 N 0.90 0.53 -0.93 2.37 2.86 -1.43 -2.56 114.93 116.67 3fa4 h MET 97 Ca 0.22 -0.53 0.06 0.00 -2.06 0.00 0.00 59.70 57.39 3fa4 h MET 97 Cb 0.18 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3fa4 h MET 97 CO -0.02 1.16 0.60 0.28 1.06 0.00 0.00 176.91 179.99 3fa4 h VAL 98 N 0.10 1.08 -0.11 -2.22 2.07 -0.94 0.14 116.25 116.37 3fa4 h VAL 98 Ca -0.08 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3fa4 h VAL 98 Cb 1.38 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3fa4 h VAL 98 CO 0.14 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 3fa4 h ALA 99 N 1.49 0.15 0.00 1.67 0.00 -1.32 -0.98 119.26 120.28 3fa4 h ALA 99 Ca 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fa4 h ALA 99 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3fa4 h ALA 99 CO -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 179.25 178.94 3fa4 h ARG 100 N -0.10 0.00 -0.14 0.00 3.08 -1.01 -0.08 114.38 116.14 3fa4 h ARG 100 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3fa4 h ARG 100 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3fa4 h ARG 100 CO 0.01 0.03 -0.21 1.15 -1.07 0.00 0.00 179.97 179.88 3fa4 h THR 101 N 0.00 1.36 -0.50 2.04 2.02 -0.60 -2.36 112.91 114.87 3fa4 h THR 101 Ca -0.00 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 3fa4 h THR 101 Cb 0.07 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3fa4 h THR 101 CO 0.00 0.43 0.20 0.74 0.37 0.00 0.00 175.52 177.27 3fa4 h THR 102 N -0.01 1.21 0.01 3.16 2.02 -0.36 0.36 112.91 119.30 3fa4 h THR 102 Ca 0.01 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3fa4 h THR 102 Cb 0.79 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3fa4 h THR 102 CO 0.05 0.25 -0.00 -0.33 0.37 0.00 0.00 175.52 175.85 3fa4 h GLU 103 N 0.67 -0.01 -0.84 6.66 5.08 -1.12 -1.36 114.58 123.66 3fa4 h GLU 103 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3fa4 h GLU 103 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3fa4 h GLU 103 CO -0.01 0.34 0.44 1.96 -1.00 0.00 0.00 179.01 180.74 3fa4 h GLN 104 N -0.37 1.18 -0.36 2.33 4.20 -1.41 0.17 115.11 120.85 3fa4 h GLN 104 Ca -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3fa4 h GLN 104 Cb 0.36 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3fa4 h GLN 104 CO 0.00 0.87 0.09 1.88 -0.67 0.00 0.00 178.83 181.01 3fa4 h TYR 105 N 1.18 0.52 0.28 2.96 -1.99 -0.91 -0.98 116.97 118.02 3fa4 h TYR 105 Ca 0.29 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 3fa4 h TYR 105 Cb 0.05 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.63 3fa4 h TYR 105 CO 0.01 0.45 -0.13 0.77 -0.00 0.00 0.00 178.16 179.26 3fa4 h SER 106 N 0.51 -0.32 -0.86 3.88 0.02 -0.13 -1.45 113.55 115.20 3fa4 h SER 106 Ca 0.12 -0.22 0.20 0.00 -0.84 0.00 0.00 61.79 61.06 3fa4 h SER 106 Cb 0.19 0.08 -0.12 0.00 0.14 0.00 0.00 62.40 62.69 3fa4 h SER 106 CO -0.00 0.12 0.34 0.03 -1.14 0.00 0.00 176.83 176.18 3fa4 h ARG 107 N -0.84 0.36 0.00 3.45 3.08 -0.76 -2.26 114.38 117.41 3fa4 h ARG 107 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3fa4 h ARG 107 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3fa4 h ARG 107 CO 0.06 0.24 0.00 0.77 -1.07 0.00 0.00 179.97 179.97 3fa4 h SER 108 N 0.38 0.00 0.00 7.04 0.02 -1.08 -3.45 113.55 116.45 3fa4 h SER 108 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3fa4 h SER 108 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3fa4 h SER 108 CO -0.52 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.78 3fa4 n GLY 109 N -0.79 0.72 3.77 -3.77 0.00 -0.85 -4.73 105.19 99.54 3fa4 n GLY 109 Ca -0.01 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3fa4 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa4 s VAL 110 N -2.00 2.22 -0.09 1.61 1.01 -0.56 -4.54 120.40 118.05 3fa4 s VAL 110 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 3fa4 s VAL 110 Cb 0.00 -3.12 -0.26 0.00 0.00 0.00 0.00 36.38 33.00 3fa4 s VAL 110 CO 0.00 0.03 0.48 0.00 0.00 0.00 0.00 175.10 175.61 3fa4 h ALA 111 N 2.54 0.50 -2.58 5.51 0.00 -1.56 -3.38 119.26 120.28 3fa4 h ALA 111 Ca -0.50 -1.39 -0.12 0.00 0.00 0.00 0.00 54.91 52.89 3fa4 h ALA 111 Cb 1.26 0.63 -0.20 0.00 0.00 0.00 0.00 17.79 19.47 3fa4 h ALA 111 CO 0.62 1.36 -0.32 0.00 0.00 0.00 0.00 179.25 180.91 3fa4 s ALA 112 N -2.57 -0.70 0.00 0.00 0.00 -0.89 -0.54 121.76 117.06 3fa4 s ALA 112 Ca -0.17 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 3fa4 s ALA 112 Cb 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3fa4 s ALA 112 CO 0.79 -0.24 0.07 -0.59 0.00 0.00 0.00 175.76 175.79 3fa4 s PHE 113 N -1.25 0.09 -0.16 0.00 -0.12 -0.81 -1.31 117.98 114.43 3fa4 s PHE 113 Ca -0.13 -0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 56.52 3fa4 s PHE 113 Cb -0.05 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 3fa4 s PHE 113 CO 0.04 -0.21 -0.08 -3.38 -0.05 0.00 0.00 175.22 171.53 3fa4 s HIS 114 N -1.15 2.91 -0.08 3.49 -3.43 -1.10 -0.80 115.29 115.13 3fa4 s HIS 114 Ca -0.12 -0.60 -0.01 0.00 -0.80 0.00 0.00 55.06 53.53 3fa4 s HIS 114 Cb -0.07 -1.93 -0.03 0.00 -1.43 0.00 0.00 32.58 29.12 3fa4 s HIS 114 CO 0.00 -0.22 -0.02 0.42 -2.00 0.00 0.00 174.74 172.92 3fa4 s ILE 115 N 0.58 4.13 0.53 -5.38 1.01 -0.99 -2.26 121.20 118.81 3fa4 s ILE 115 Ca -0.05 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.31 3fa4 s ILE 115 Cb -0.15 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.60 3fa4 s ILE 115 CO 0.03 0.60 0.16 -1.83 0.00 0.00 0.00 174.94 173.90 3fa4 s GLU 116 N -0.80 2.22 -0.02 2.79 -1.05 -0.43 -1.99 118.70 119.43 3fa4 s GLU 116 Ca 0.12 -2.27 0.22 0.00 -0.15 0.00 0.00 54.97 52.89 3fa4 s GLU 116 Cb -0.11 -1.75 0.67 0.00 -0.44 0.00 0.00 34.13 32.50 3fa4 s GLU 116 CO 0.02 -0.48 1.56 -0.40 0.95 0.00 0.00 175.26 176.91 3fa4 n ASP 117 N -1.48 4.11 -4.79 0.83 3.85 -1.20 -4.69 116.55 113.18 3fa4 n ASP 117 Ca -0.13 -2.09 -0.32 0.00 -0.71 0.00 0.00 54.79 51.54 3fa4 n ASP 117 Cb 0.66 -0.51 0.06 0.00 -1.35 0.00 0.00 41.12 39.98 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3fa4 s GLN 118 N -1.19 2.72 0.60 0.11 -0.21 -1.26 -0.57 119.66 119.85 3fa4 s GLN 118 Ca 0.50 1.17 -0.19 0.00 0.02 0.00 0.00 55.36 56.85 3fa4 s GLN 118 Cb 0.27 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 3fa4 s GLN 118 CO 0.32 -1.29 1.11 0.28 -2.12 0.00 0.00 175.29 173.59 3fa4 n VAL 119 N -2.94 3.99 -0.00 1.09 0.31 -0.11 -4.53 118.33 116.13 3fa4 n VAL 119 Ca 0.09 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 3fa4 n VAL 119 Cb 0.53 -1.32 0.02 0.00 -0.91 0.00 0.00 33.84 32.17 3fa4 n VAL 119 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3fa4 h GLN 120 N 0.69 0.60 -4.50 5.55 4.15 -1.96 -3.41 115.11 116.23 3fa4 h GLN 120 Ca -0.49 -0.41 -0.63 0.00 0.77 0.00 0.00 58.65 57.89 3fa4 h GLN 120 Cb 1.35 0.06 -0.38 0.00 0.21 0.00 0.00 27.48 28.72 3fa4 h GLN 120 CO 0.53 1.03 -0.78 0.99 -1.93 0.00 0.00 178.83 178.66 3fa4 s THR 121 N -3.92 1.76 0.53 2.39 2.01 -1.26 -4.93 115.64 112.21 3fa4 s THR 121 Ca -0.08 -1.46 -0.21 0.00 0.31 0.00 0.00 61.69 60.25 3fa4 s THR 121 Cb 0.11 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.54 3fa4 s THR 121 CO 0.85 -0.16 1.19 -0.54 -0.69 0.00 0.00 174.62 175.27 3fa4 s LYS 122 N 1.27 3.37 0.50 4.92 1.02 -1.26 -5.01 119.74 124.55 3fa4 s LYS 122 Ca -0.04 1.79 -0.19 0.00 0.02 0.00 0.00 55.97 57.55 3fa4 s LYS 122 Cb -0.19 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.89 3fa4 s LYS 122 CO -0.07 -0.88 1.04 0.50 -0.92 0.00 0.00 175.35 175.02 3fa4 s ARG 123 N -3.05 3.73 0.26 1.68 3.52 -1.26 -4.86 118.95 118.97 3fa4 s ARG 123 Ca 0.71 1.31 -0.28 0.00 -0.13 0.00 0.00 55.73 57.33 3fa4 s ARG 123 Cb -0.29 -2.09 -0.15 0.00 -1.56 0.00 0.00 34.95 30.86 3fa4 s ARG 123 CO 0.33 -0.48 0.90 0.00 -0.81 0.00 0.00 175.30 175.24 3fa4 n GLY 125 N 1.46 0.83 0.16 0.00 0.00 -1.26 -4.91 105.19 101.47 3fa4 n GLY 125 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 3fa4 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fa4 n HIS 126 N -2.08 0.12 -2.62 1.61 -0.00 0.28 -5.06 115.22 107.47 3fa4 n HIS 126 Ca 0.00 -0.82 -0.41 0.00 -0.00 0.00 0.00 57.72 56.49 3fa4 n HIS 126 Cb 0.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.99 29.83 3fa4 n HIS 126 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 3fa4 s LEU 127 N -2.23 4.44 -0.05 2.41 0.05 -1.26 -4.26 118.68 117.77 3fa4 s LEU 127 Ca 0.23 1.87 -0.02 0.00 0.05 0.00 0.00 54.13 56.26 3fa4 s LEU 127 Cb 0.20 -3.59 0.01 0.00 -2.05 0.00 0.00 46.19 40.76 3fa4 s LEU 127 CO 0.03 -0.23 0.03 0.00 -0.55 0.00 0.00 176.35 175.64 3fa4 n ALA 128 N 3.20 -3.14 0.00 1.48 0.00 -1.26 -5.09 120.51 115.69 3fa4 n ALA 128 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3fa4 n ALA 128 Cb 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3fa4 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 129 N 0.29 -1.99 2.84 0.00 0.00 -1.26 -5.09 105.19 99.98 3fa4 n GLY 129 Ca -0.06 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.98 1.06 -0.21 1.61 1.02 -1.26 -5.05 119.74 114.92 3fa4 s LYS 130 Ca 0.00 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 54.70 3fa4 s LYS 130 Cb 0.00 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 3fa4 s LYS 130 CO 0.00 -0.87 0.13 0.42 -0.92 0.00 0.00 175.35 174.10 3fa4 s ILE 131 N 1.43 5.27 0.49 2.17 -1.09 -1.26 -4.96 121.20 123.25 3fa4 s ILE 131 Ca 0.06 0.14 0.07 0.00 -2.23 0.00 0.00 60.65 58.69 3fa4 s ILE 131 Cb -0.18 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3fa4 s ILE 131 CO -0.16 0.41 0.45 -0.76 -1.23 0.00 0.00 174.94 173.66 3fa4 s LEU 132 N 0.59 3.06 0.32 2.97 1.43 -1.26 -0.93 118.68 124.85 3fa4 s LEU 132 Ca 0.07 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.29 3fa4 s LEU 132 Cb -0.12 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3fa4 s LEU 132 CO 0.00 -0.95 0.06 0.54 0.23 0.00 0.00 176.35 176.23 3fa4 s VAL 133 N -2.63 3.02 0.64 -1.59 0.11 0.26 -4.46 120.40 115.76 3fa4 s VAL 133 Ca 0.45 -1.84 -0.12 0.00 -2.93 0.00 0.00 61.98 57.53 3fa4 s VAL 133 Cb -0.03 -2.88 -0.02 0.00 -1.53 0.00 0.00 36.38 31.92 3fa4 s VAL 133 CO 0.27 -0.24 1.05 1.51 -3.33 0.00 0.00 175.10 174.35 3fa4 s ASP 134 N -3.76 5.76 0.24 3.54 -4.77 -1.26 -4.84 116.67 111.57 3fa4 s ASP 134 Ca 0.35 1.60 -0.10 0.00 -3.30 0.00 0.00 52.55 51.10 3fa4 s ASP 134 Cb -0.03 -2.50 0.37 0.00 -1.09 0.00 0.00 42.92 39.67 3fa4 s ASP 134 CO 0.21 -1.18 1.62 0.74 0.70 0.00 0.00 175.17 177.25 3fa4 h THR 135 N -0.29 0.30 -0.33 2.11 2.02 -1.99 -0.80 112.91 113.94 3fa4 h THR 135 Ca -0.45 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3fa4 h THR 135 Cb 1.20 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3fa4 h THR 135 CO 0.59 0.01 0.13 0.44 0.37 0.00 0.00 175.52 177.06 3fa4 h ASP 136 N 0.04 0.45 -0.94 4.18 3.32 -1.98 0.12 116.42 121.61 3fa4 h ASP 136 Ca 0.38 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.35 3fa4 h ASP 136 Cb 0.63 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 3fa4 h ASP 136 CO -0.71 0.49 0.61 0.74 -1.72 0.00 0.00 179.24 178.65 3fa4 h THR 137 N 0.38 1.03 0.35 0.35 2.02 -1.82 -0.43 112.91 114.79 3fa4 h THR 137 Ca 0.11 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3fa4 h THR 137 Cb 0.18 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3fa4 h THR 137 CO -0.01 0.19 -0.17 0.22 0.37 0.00 0.00 175.52 176.12 3fa4 h TYR 138 N 1.03 -0.44 -0.76 3.16 3.20 -0.54 -2.80 116.97 119.82 3fa4 h TYR 138 Ca 0.42 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.41 3fa4 h TYR 138 Cb 0.28 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3fa4 h TYR 138 CO -0.00 -0.12 0.50 0.28 -1.64 0.00 0.00 178.16 177.18 3fa4 h VAL 139 N -0.76 0.85 -0.36 1.81 2.07 -0.80 0.41 116.25 119.47 3fa4 h VAL 139 Ca -0.05 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3fa4 h VAL 139 Cb 0.51 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3fa4 h VAL 139 CO 0.08 0.10 0.24 0.74 0.02 0.00 0.00 177.57 178.74 3fa4 h THR 140 N 0.53 1.08 -0.02 2.57 2.02 -0.99 0.11 112.91 118.20 3fa4 h THR 140 Ca 0.37 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 3fa4 h THR 140 Cb 0.70 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3fa4 h THR 140 CO -0.13 0.08 -0.01 0.03 0.37 0.00 0.00 175.52 175.86 3fa4 h ARG 141 N 0.46 0.05 -0.76 6.66 3.08 -0.67 -1.59 114.38 121.61 3fa4 h ARG 141 Ca 0.13 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3fa4 h ARG 141 Cb -0.02 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3fa4 h ARG 141 CO -0.03 0.45 0.47 0.82 -1.07 0.00 0.00 179.97 180.61 3fa4 h ILE 142 N -0.35 1.21 0.31 2.04 1.08 -1.12 -2.60 117.51 118.08 3fa4 h ILE 142 Ca 0.01 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3fa4 h ILE 142 Cb 0.43 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3fa4 h ILE 142 CO 0.00 0.22 -0.15 -0.09 -0.69 0.00 0.00 178.15 177.44 3fa4 h ARG 143 N 1.04 -0.40 -0.96 2.37 2.43 -0.81 -1.39 114.38 116.67 3fa4 h ARG 143 Ca 0.27 0.03 0.35 0.00 -0.81 0.00 0.00 59.98 59.82 3fa4 h ARG 143 Cb -0.05 0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 29.41 3fa4 h ARG 143 CO -0.05 -0.06 0.34 0.00 -1.51 0.00 0.00 179.97 178.69 3fa4 n ALA 144 N -2.53 0.81 0.19 2.80 0.00 -0.60 -0.88 120.51 120.31 3fa4 n ALA 144 Ca -0.09 1.00 -0.08 0.00 0.00 0.00 0.00 53.44 54.26 3fa4 n ALA 144 Cb 0.27 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 3fa4 n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 h ALA 145 N 1.92 -0.64 -0.75 0.00 0.00 -1.35 -2.49 119.26 115.95 3fa4 h ALA 145 Ca 0.73 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.68 3fa4 h ALA 145 Cb 1.82 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 19.72 3fa4 h ALA 145 CO -0.80 -0.60 0.24 0.28 0.00 0.00 0.00 179.25 178.37 3fa4 h VAL 146 N -0.94 0.57 -0.65 0.00 2.07 -0.85 -0.98 116.25 115.48 3fa4 h VAL 146 Ca -0.06 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3fa4 h VAL 146 Cb 0.41 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3fa4 h VAL 146 CO 0.09 0.06 0.37 1.56 0.02 0.00 0.00 177.57 179.67 3fa4 h GLN 147 N 0.35 0.90 -0.06 1.57 4.20 -1.14 -2.18 115.11 118.75 3fa4 h GLN 147 Ca 0.42 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 3fa4 h GLN 147 Cb 0.69 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 3fa4 h GLN 147 CO -0.46 0.66 0.02 0.00 -0.67 0.00 0.00 178.83 178.38 3fa4 h ALA 148 N 1.18 0.08 0.00 3.87 0.00 -0.83 -0.70 119.26 122.86 3fa4 h ALA 148 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fa4 h ALA 148 Cb 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fa4 h ALA 148 CO -0.04 -0.32 -0.09 0.07 0.00 0.00 0.00 179.25 178.87 3fa4 h ARG 149 N -0.07 0.00 0.13 0.00 0.11 -1.26 -2.69 114.38 110.60 3fa4 h ARG 149 Ca 0.02 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.81 3fa4 h ARG 149 Cb 0.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 3fa4 h ARG 149 CO -0.00 0.09 -1.38 1.96 0.10 0.00 0.00 179.97 180.74 3fa4 h GLN 150 N 0.00 0.27 -0.65 0.08 4.20 -0.96 0.39 115.11 118.44 3fa4 h GLN 150 Ca -0.00 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 3fa4 h GLN 150 Cb 0.41 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3fa4 h GLN 150 CO 0.01 1.17 0.26 -0.09 -0.67 0.00 0.00 178.83 179.51 3fa4 h ARG 151 N 0.07 0.95 -0.02 1.46 2.43 -0.90 -3.09 114.38 115.28 3fa4 h ARG 151 Ca -0.19 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3fa4 h ARG 151 Cb 2.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 3fa4 h ARG 151 CO 0.19 0.77 -0.06 0.44 -1.51 0.00 0.00 179.97 179.80 3fa4 n ILE 152 N -4.31 0.00 -2.60 1.20 -5.35 -1.04 -4.94 119.36 102.32 3fa4 n ILE 152 Ca 0.06 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 3fa4 n ILE 152 Cb 0.17 0.82 0.02 0.00 -1.74 0.00 0.00 39.64 38.91 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 1.26 0.17 3.69 3.28 0.00 -1.09 -5.02 105.19 107.49 3fa4 n GLY 153 Ca 0.16 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.89 6.19 0.00 1.61 0.15 0.13 -4.99 113.70 113.90 3fa4 s SER 154 Ca 0.14 0.20 0.10 0.00 0.70 0.00 0.00 55.95 57.09 3fa4 s SER 154 Cb -0.06 -2.11 0.43 0.00 -1.71 0.00 0.00 66.02 62.57 3fa4 s SER 154 CO 0.17 0.10 1.30 0.47 1.20 0.00 0.00 173.24 176.48 3fa4 n ASP 155 N 3.97 0.72 -4.63 5.45 8.00 -1.26 -4.58 116.55 124.22 3fa4 n ASP 155 Ca -0.15 -1.83 -0.46 0.00 0.71 0.00 0.00 54.79 53.06 3fa4 n ASP 155 Cb 0.52 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.18 1.06 -2.58 0.53 3.06 -1.26 -4.62 119.36 115.36 3fa4 n ILE 156 Ca 0.08 -0.26 -0.43 0.00 -2.50 0.00 0.00 62.75 59.64 3fa4 n ILE 156 Cb 0.14 -1.18 -0.02 0.00 0.54 0.00 0.00 39.64 39.11 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 -0.24 4.52 -0.30 9.51 1.01 0.29 -4.97 120.40 130.23 3fa4 s VAL 157 Ca 0.69 1.82 -0.22 0.00 0.00 0.00 0.00 61.98 64.27 3fa4 s VAL 157 Cb -0.73 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.40 3fa4 s VAL 157 CO 0.52 -0.24 0.71 -0.69 0.00 0.00 0.00 175.10 175.40 3fa4 s VAL 158 N 3.42 4.87 -0.31 2.92 1.01 -1.26 -1.92 120.40 129.14 3fa4 s VAL 158 Ca 0.48 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 3fa4 s VAL 158 Cb -0.16 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 3fa4 s VAL 158 CO 0.11 -0.17 0.13 -0.63 0.00 0.00 0.00 175.10 174.53 3fa4 s ILE 159 N 2.76 4.39 -0.39 2.22 1.01 0.02 -0.39 121.20 130.82 3fa4 s ILE 159 Ca 0.29 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.18 3fa4 s ILE 159 Cb -0.15 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3fa4 s ILE 159 CO 0.12 0.07 0.83 0.00 0.00 0.00 0.00 174.94 175.95 3fa4 s ALA 160 N 1.57 3.37 -0.18 9.38 0.00 0.79 -2.36 121.76 134.35 3fa4 s ALA 160 Ca 0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3fa4 s ALA 160 Cb -0.17 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3fa4 s ALA 160 CO 0.05 -1.66 -0.02 0.50 0.00 0.00 0.00 175.76 174.63 3fa4 s ARG 161 N 3.29 3.67 -0.13 0.00 3.52 -0.84 -0.31 118.95 128.15 3fa4 s ARG 161 Ca 0.33 -0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 55.40 3fa4 s ARG 161 Cb -0.12 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.24 3fa4 s ARG 161 CO 0.20 0.15 -0.07 -0.08 -0.81 0.00 0.00 175.30 174.69 3fa4 s THR 162 N 0.62 3.63 -2.17 4.11 -1.32 -0.51 -3.28 115.64 116.72 3fa4 s THR 162 Ca -0.01 -0.46 0.20 0.00 -1.21 0.00 0.00 61.69 60.20 3fa4 s THR 162 Cb -0.14 -2.56 0.48 0.00 -1.51 0.00 0.00 72.50 68.77 3fa4 s THR 162 CO 0.02 0.52 1.44 0.47 -2.21 0.00 0.00 174.62 174.86 3fa4 n ASP 163 N 3.33 3.00 0.00 8.08 8.00 -1.26 -1.77 116.55 135.92 3fa4 n ASP 163 Ca -0.18 -1.95 0.15 0.00 0.71 0.00 0.00 54.79 53.52 3fa4 n ASP 163 Cb 0.53 -0.31 0.85 0.00 -0.02 0.00 0.00 41.12 42.17 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 1.15 0.00 -0.08 -2.24 3.41 -1.26 -4.06 113.62 110.54 3fa4 n SER 164 Ca 0.19 -0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 58.03 3fa4 n SER 164 Cb 0.50 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 -0.73 0.11 1.04 6.46 -1.81 -1.22 115.31 119.17 3fa4 h LEU 165 Ca 0.00 0.15 -0.33 0.00 -0.12 0.00 0.00 57.88 57.57 3fa4 h LEU 165 Cb 0.09 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 3fa4 h LEU 165 CO 0.00 -0.25 -1.76 1.56 -0.62 0.00 0.00 178.44 177.37 3fa4 h GLN 166 N -0.19 0.24 -0.09 1.25 1.08 -1.89 0.11 115.11 115.63 3fa4 h GLN 166 Ca 0.16 -0.41 -0.10 0.00 -1.45 0.00 0.00 58.65 56.85 3fa4 h GLN 166 Cb 0.44 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3fa4 h GLN 166 CO -0.43 1.08 -0.41 1.79 -0.95 0.00 0.00 178.83 179.91 3fa4 h THR 167 N 0.07 1.31 0.00 -0.54 1.35 -1.74 -3.38 112.91 109.97 3fa4 h THR 167 Ca -0.33 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3fa4 h THR 167 Cb 2.04 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 3fa4 h THR 167 CO 0.13 0.45 -0.85 1.41 -0.25 0.00 0.00 175.52 176.40 3fa4 n HIS 168 N -4.03 0.00 0.00 4.73 8.25 -0.55 -5.09 115.22 118.53 3fa4 n HIS 168 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3fa4 n HIS 168 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 2.66 2.06 0.39 -1.41 0.00 0.03 -4.74 105.19 104.16 3fa4 n GLY 169 Ca 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.08 -1.01 1.61 3.20 -1.84 -2.56 116.97 115.30 3fa4 h TYR 170 Ca 0.00 0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.12 3fa4 h TYR 170 Cb 0.00 0.46 -0.11 0.00 1.54 0.00 0.00 36.73 38.62 3fa4 h TYR 170 CO 0.00 -0.48 0.62 0.93 -1.64 0.00 0.00 178.16 177.58 3fa4 h GLU 171 N -0.60 0.60 -0.15 1.82 4.39 -1.95 -1.27 114.58 117.43 3fa4 h GLU 171 Ca 0.03 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3fa4 h GLU 171 Cb 0.64 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3fa4 h GLU 171 CO -0.25 0.40 -0.33 1.49 -1.16 0.00 0.00 179.01 179.16 3fa4 h GLU 172 N 0.62 0.48 -0.83 2.33 4.57 -1.81 -2.44 114.58 117.50 3fa4 h GLU 172 Ca 0.60 -0.32 0.09 0.00 -1.18 0.00 0.00 59.36 58.55 3fa4 h GLU 172 Cb 1.14 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.70 3fa4 h GLU 172 CO -0.39 0.93 0.48 0.77 -1.18 0.00 0.00 179.01 179.62 3fa4 h SER 173 N 0.10 0.69 -0.58 1.04 0.02 -0.93 0.69 113.55 114.58 3fa4 h SER 173 Ca 0.00 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3fa4 h SER 173 Cb 0.93 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3fa4 h SER 173 CO 0.07 0.40 0.09 0.58 -1.14 0.00 0.00 176.83 176.83 3fa4 h VAL 174 N 0.81 1.26 -0.29 2.27 2.07 -1.27 -0.96 116.25 120.14 3fa4 h VAL 174 Ca 0.40 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3fa4 h VAL 174 Cb 0.35 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3fa4 h VAL 174 CO -0.24 0.36 -0.15 0.00 0.02 0.00 0.00 177.57 177.56 3fa4 h ALA 175 N 1.00 1.21 -0.12 1.67 0.00 -0.92 -1.57 119.26 120.53 3fa4 h ALA 175 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3fa4 h ALA 175 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3fa4 h ALA 175 CO 0.01 0.51 -0.47 0.00 0.00 0.00 0.00 179.25 179.30 3fa4 h ARG 176 N 0.45 0.31 -0.07 0.00 3.08 -0.47 -1.96 114.38 115.72 3fa4 h ARG 176 Ca 0.08 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3fa4 h ARG 176 Cb 0.53 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3fa4 h ARG 176 CO 0.03 0.72 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.52 3fa4 h LEU 177 N 0.25 0.18 -0.94 3.04 3.38 -0.80 -2.48 115.31 117.94 3fa4 h LEU 177 Ca 0.01 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3fa4 h LEU 177 Cb 0.93 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3fa4 h LEU 177 CO 0.08 0.61 0.61 0.03 0.09 0.00 0.00 178.44 179.86 3fa4 h ARG 178 N -0.26 1.12 0.08 1.13 3.08 -1.30 0.12 114.38 118.35 3fa4 h ARG 178 Ca 0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3fa4 h ARG 178 Cb 0.56 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3fa4 h ARG 178 CO 0.02 0.74 -0.06 0.00 -1.07 0.00 0.00 179.97 179.60 3fa4 h ALA 179 N 1.40 -0.13 0.19 0.04 0.00 -1.37 -1.30 119.26 118.09 3fa4 h ALA 179 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3fa4 h ALA 179 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fa4 h ALA 179 CO -0.14 -0.58 -0.11 0.00 0.00 0.00 0.00 179.25 178.42 3fa4 h ALA 180 N 0.77 -0.28 -0.74 0.00 0.00 -1.17 -0.80 119.26 117.04 3fa4 h ALA 180 Ca -0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3fa4 h ALA 180 Cb 0.13 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 3fa4 h ALA 180 CO -0.00 -0.66 -0.27 -0.09 0.00 0.00 0.00 179.25 178.22 3fa4 h ARG 181 N -0.29 -0.06 0.00 0.00 2.43 -0.79 -1.88 114.38 113.79 3fa4 h ARG 181 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3fa4 h ARG 181 Cb 0.24 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3fa4 h ARG 181 CO 0.02 -0.04 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.94 3fa4 h ASP 182 N -0.06 0.00 -0.13 -3.80 3.32 -0.77 -0.19 116.42 114.79 3fa4 h ASP 182 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3fa4 h ASP 182 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fa4 h ASP 182 CO -0.79 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 176.79 3fa4 n ALA 183 N -2.14 2.54 0.00 3.45 0.00 -0.35 -4.95 120.51 119.07 3fa4 n ALA 183 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3fa4 n ALA 183 Cb 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.10 1.24 3.82 0.00 0.00 -0.08 -4.41 105.19 106.86 3fa4 n GLY 184 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.26 -0.01 4.61 0.00 -1.01 -4.90 121.76 121.71 3fa4 s ALA 185 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.32 3fa4 s ALA 185 Cb 0.00 -2.94 -0.21 0.00 0.00 0.00 0.00 23.12 19.97 3fa4 s ALA 185 CO 0.00 0.26 0.85 -0.44 0.00 0.00 0.00 175.76 176.43 3fa4 h ASP 186 N 2.67 0.00 -3.82 0.00 3.32 -1.08 -3.42 116.42 114.09 3fa4 h ASP 186 Ca -0.48 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.24 3fa4 h ASP 186 Cb 1.18 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.44 3fa4 h ASP 186 CO 0.64 0.96 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.68 3fa4 s VAL 187 N -2.65 0.40 0.37 -1.35 1.01 -1.12 -4.10 120.40 112.95 3fa4 s VAL 187 Ca -0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 3fa4 s VAL 187 Cb 0.09 -0.36 -0.10 0.00 0.00 0.00 0.00 36.38 36.00 3fa4 s VAL 187 CO 0.82 0.13 0.92 -0.83 0.00 0.00 0.00 175.10 176.14 3fa4 s GLY 188 N 0.09 2.54 -0.36 4.51 0.00 0.16 -0.15 107.32 114.11 3fa4 s GLY 188 Ca -0.01 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3fa4 s GLY 188 CO -0.00 0.74 0.38 -0.12 0.00 0.00 0.00 173.10 174.10 3fa4 s PHE 189 N -1.93 -0.36 -0.78 1.90 5.99 0.58 -0.98 117.98 122.40 3fa4 s PHE 189 Ca 0.56 -0.73 -0.23 0.00 0.00 0.00 0.00 56.93 56.53 3fa4 s PHE 189 Cb -0.13 -0.39 0.07 0.00 0.00 0.00 0.00 43.02 42.57 3fa4 s PHE 189 CO 0.17 -0.97 1.14 -1.17 -0.00 0.00 0.00 175.22 174.40 3fa4 s LEU 190 N 1.52 4.05 0.20 6.12 0.20 -1.26 -1.42 118.68 128.09 3fa4 s LEU 190 Ca 0.16 -1.09 -0.30 0.00 0.69 0.00 0.00 54.13 53.59 3fa4 s LEU 190 Cb -0.15 -2.47 -0.09 0.00 -0.43 0.00 0.00 46.19 43.04 3fa4 s LEU 190 CO -0.06 -1.49 1.43 -0.70 -0.29 0.00 0.00 176.35 175.23 3fa4 s GLU 191 N 4.41 4.29 -0.37 1.98 2.56 -0.73 -3.79 118.70 127.05 3fa4 s GLU 191 Ca 0.31 2.22 -0.02 0.00 0.00 0.00 0.00 54.97 57.48 3fa4 s GLU 191 Cb -0.10 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.87 3fa4 s GLU 191 CO 0.05 -0.42 0.32 0.41 -0.56 0.00 0.00 175.26 175.06 3fa4 n GLY 192 N 2.73 0.40 3.67 -1.50 0.00 -1.26 -4.65 105.19 104.58 3fa4 n GLY 192 Ca 0.09 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.69 0.51 0.97 -0.61 5.41 -1.25 -4.70 119.36 117.00 3fa4 n ILE 193 Ca -0.03 -0.13 0.10 0.00 1.00 0.00 0.00 62.75 63.69 3fa4 n ILE 193 Cb 0.53 -1.49 -0.06 0.00 -0.71 0.00 0.00 39.64 37.91 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3fa4 n THR 194 N 2.58 0.00 -3.51 1.39 -1.04 -1.26 -3.45 114.28 108.98 3fa4 n THR 194 Ca 0.14 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 3fa4 n THR 194 Cb 0.30 0.83 -0.02 0.00 -1.82 0.00 0.00 70.33 69.62 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3fa4 s SER 195 N -3.06 -0.45 0.14 8.00 1.04 -1.26 -4.62 113.70 113.49 3fa4 s SER 195 Ca 0.08 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.24 3fa4 s SER 195 Cb 0.16 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.83 3fa4 s SER 195 CO 0.84 -0.90 1.75 0.03 0.98 0.00 0.00 173.24 175.94 3fa4 h ARG 196 N 2.00 0.23 -0.72 4.02 2.47 -1.95 -1.61 114.38 118.82 3fa4 h ARG 196 Ca -0.28 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.46 3fa4 h ARG 196 Cb 1.28 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.50 3fa4 h ARG 196 CO 0.33 0.15 0.45 0.93 0.56 0.00 0.00 179.97 182.39 3fa4 h GLU 197 N 0.24 0.83 0.09 0.04 4.39 -2.00 -2.19 114.58 115.98 3fa4 h GLU 197 Ca 0.12 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3fa4 h GLU 197 Cb 0.09 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3fa4 h GLU 197 CO -0.12 0.55 -0.04 1.98 -1.16 0.00 0.00 179.01 180.22 3fa4 h MET 198 N 0.86 -0.12 -0.79 2.33 1.85 -1.86 -2.67 114.93 114.53 3fa4 h MET 198 Ca 0.30 0.01 0.19 0.00 -0.61 0.00 0.00 59.70 59.58 3fa4 h MET 198 Cb 0.05 0.03 -0.12 0.00 0.43 0.00 0.00 31.60 31.99 3fa4 h MET 198 CO -0.12 -0.05 0.17 0.00 -0.40 0.00 0.00 176.91 176.51 3fa4 h ALA 199 N 0.75 1.04 -0.73 0.39 0.00 -0.91 -2.20 119.26 117.59 3fa4 h ALA 199 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3fa4 h ALA 199 Cb 0.12 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3fa4 h ALA 199 CO 0.02 -0.39 0.29 0.00 0.00 0.00 0.00 179.25 179.17 3fa4 h ARG 200 N 0.23 1.10 -0.63 0.00 3.08 -1.34 -3.03 114.38 113.79 3fa4 h ARG 200 Ca 0.46 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.33 3fa4 h ARG 200 Cb 0.84 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 3fa4 h ARG 200 CO -0.58 0.91 0.40 0.37 -1.07 0.00 0.00 179.97 179.99 3fa4 h GLN 201 N 1.05 0.76 -0.77 0.04 5.75 -1.09 -2.64 115.11 118.21 3fa4 h GLN 201 Ca 0.24 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3fa4 h GLN 201 Cb 0.22 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3fa4 h GLN 201 CO -0.02 0.50 0.28 0.28 -2.65 0.00 0.00 178.83 177.23 3fa4 h VAL 202 N 0.78 1.26 -0.88 2.39 2.07 -1.38 0.10 116.25 120.60 3fa4 h VAL 202 Ca 0.25 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3fa4 h VAL 202 Cb -0.00 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 3fa4 h VAL 202 CO -0.09 0.34 0.58 0.40 0.02 0.00 0.00 177.57 178.82 3fa4 h ILE 203 N 1.13 1.22 0.01 4.57 2.04 -1.40 -1.84 117.51 123.23 3fa4 h ILE 203 Ca 0.25 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.57 3fa4 h ILE 203 Cb 0.25 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3fa4 h ILE 203 CO -0.02 0.22 -0.53 -0.61 0.00 0.00 0.00 178.15 177.21 3fa4 h GLN 204 N 1.18 0.35 0.00 2.37 4.15 -1.10 0.13 115.11 122.20 3fa4 h GLN 204 Ca 0.33 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3fa4 h GLN 204 Cb -0.12 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3fa4 h GLN 204 CO -0.08 1.07 -0.04 -0.44 -1.93 0.00 0.00 178.83 177.41 3fa4 h ASP 205 N -0.21 0.00 -0.09 -0.69 5.19 -0.75 -2.66 116.42 117.22 3fa4 h ASP 205 Ca -0.07 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 3fa4 h ASP 205 Cb 1.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 3fa4 h ASP 205 CO 0.10 0.04 -0.15 0.18 -3.12 0.00 0.00 179.24 176.30 3fa4 n LEU 206 N -4.47 2.92 -4.49 1.55 4.77 -0.70 -5.07 117.00 111.52 3fa4 n LEU 206 Ca -0.03 -3.41 -0.46 0.00 -0.03 0.00 0.00 56.01 52.08 3fa4 n LEU 206 Cb 0.13 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3fa4 n LEU 206 CO 0.34 0.98 0.28 0.00 -1.33 0.00 0.00 177.39 177.66 3fa4 n ALA 207 N -1.17 -1.59 -0.99 -1.18 0.00 0.47 -1.60 120.51 114.44 3fa4 n ALA 207 Ca 0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3fa4 n ALA 207 Cb 0.75 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.63 0.41 3.17 0.00 0.00 -1.26 -5.01 105.19 104.13 3fa4 n GLY 208 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.90 2.53 0.25 1.61 -0.00 -0.63 -5.11 118.94 115.69 3fa4 s TRP 209 Ca 0.00 -1.17 -0.30 0.00 -0.00 0.00 0.00 56.10 54.63 3fa4 s TRP 209 Cb 0.00 -1.72 -0.09 0.00 -0.00 0.00 0.00 33.47 31.66 3fa4 s TRP 209 CO 0.00 -0.52 1.32 -2.14 -0.00 0.00 0.00 176.95 175.61 3fa4 s PRO 210 N 0.64 4.37 -0.04 5.86 0.02 -1.26 -4.84 135.00 139.76 3fa4 s PRO 210 Ca -0.12 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.06 3fa4 s PRO 210 Cb -0.16 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 3fa4 s PRO 210 CO 0.03 -0.23 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.85 3fa4 s LEU 211 N -0.72 2.96 -0.22 -5.54 1.43 -1.26 0.36 118.68 115.69 3fa4 s LEU 211 Ca 0.54 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 3fa4 s LEU 211 Cb -0.38 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3fa4 s LEU 211 CO 0.43 0.33 0.12 -0.22 0.23 0.00 0.00 176.35 177.25 3fa4 s LEU 212 N -0.94 4.00 -0.09 1.79 0.20 -0.15 -1.00 118.68 122.49 3fa4 s LEU 212 Ca 0.13 0.10 -0.23 0.00 0.69 0.00 0.00 54.13 54.82 3fa4 s LEU 212 Cb -0.11 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.57 3fa4 s LEU 212 CO 0.02 0.11 0.70 -0.22 -0.29 0.00 0.00 176.35 176.67 3fa4 s LEU 213 N 0.80 4.28 -0.43 -0.68 0.20 0.45 -4.43 118.68 118.87 3fa4 s LEU 213 Ca 0.06 1.13 -0.15 0.00 0.69 0.00 0.00 54.13 55.86 3fa4 s LEU 213 Cb -0.13 -3.06 0.03 0.00 -0.43 0.00 0.00 46.19 42.60 3fa4 s LEU 213 CO 0.02 -0.16 0.34 0.21 -0.29 0.00 0.00 176.35 176.48 3fa4 s ASN 214 N 0.87 6.13 -0.86 3.68 2.47 -1.26 -2.05 114.94 123.92 3fa4 s ASN 214 Ca 0.36 -0.98 0.01 0.00 0.42 0.00 0.00 52.86 52.66 3fa4 s ASN 214 Cb -0.17 -2.17 0.29 0.00 -1.45 0.00 0.00 41.25 37.74 3fa4 s ASN 214 CO 0.16 -0.52 1.17 0.80 -3.72 0.00 0.00 177.10 175.00 3fa4 n MET 215 N 5.23 3.67 -3.07 0.43 1.56 -0.76 -4.85 117.12 119.33 3fa4 n MET 215 Ca -0.11 -4.63 -0.41 0.00 -0.27 0.00 0.00 57.70 52.28 3fa4 n MET 215 Cb 0.46 -2.39 -0.06 0.00 2.15 0.00 0.00 33.22 33.38 3fa4 n MET 215 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3fa4 s VAL 216 N -2.87 4.94 0.73 1.12 1.01 -1.26 -4.46 120.40 119.60 3fa4 s VAL 216 Ca 0.36 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 3fa4 s VAL 216 Cb 0.11 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3fa4 s VAL 216 CO 0.03 -0.04 1.08 -1.61 0.00 0.00 0.00 175.10 174.56 3fa4 s GLU 217 N 2.60 2.68 -1.11 2.72 2.02 -1.26 -4.29 118.70 122.06 3fa4 s GLU 217 Ca 0.27 0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.89 3fa4 s GLU 217 Cb -0.15 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3fa4 s GLU 217 CO 0.09 -1.20 0.00 0.72 0.02 0.00 0.00 175.26 174.90 3fa4 n HIS 218 N -3.14 -0.22 -2.54 1.61 8.25 -1.26 -5.02 115.22 112.89 3fa4 n HIS 218 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3fa4 n HIS 218 Cb 0.56 -2.33 0.00 0.00 1.12 0.00 0.00 29.99 29.34 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 -1.35 6.37 0.26 -1.41 0.00 -1.26 -5.03 105.19 102.77 3fa4 n GLY 219 Ca -0.12 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 1.00 1.40 -3.02 4.61 0.00 -1.90 -3.44 119.26 117.91 3fa4 h ALA 220 Ca 0.00 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 3fa4 h ALA 220 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 3fa4 h ALA 220 CO 0.00 0.15 -0.27 -0.08 0.00 0.00 0.00 179.25 179.05 3fa4 s THR 221 N -4.34 5.26 0.94 0.00 -1.32 -1.22 -4.50 115.64 110.45 3fa4 s THR 221 Ca -0.03 0.67 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 3fa4 s THR 221 Cb 0.14 -3.68 0.15 0.00 -1.51 0.00 0.00 72.50 67.60 3fa4 s THR 221 CO 0.60 0.39 1.09 -2.16 -2.21 0.00 0.00 174.62 172.33 3fa4 s PRO 222 N 0.39 0.89 -0.53 7.08 0.04 -1.26 -4.65 135.00 136.96 3fa4 s PRO 222 Ca 0.19 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 3fa4 s PRO 222 Cb -0.14 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.68 3fa4 s PRO 222 CO 0.06 -2.53 1.11 -1.12 0.04 0.00 0.00 177.00 174.56 3fa4 s SER 223 N -3.15 6.49 -0.23 6.66 0.01 -1.26 -4.99 113.70 117.24 3fa4 s SER 223 Ca 0.65 0.15 0.02 0.00 1.31 0.00 0.00 55.95 58.07 3fa4 s SER 223 Cb -0.20 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.56 3fa4 s SER 223 CO 0.58 -1.32 -0.12 -0.63 0.41 0.00 0.00 173.24 172.16 3fa4 s ILE 224 N 4.51 1.97 0.76 1.44 1.01 -1.26 -5.12 121.20 124.52 3fa4 s ILE 224 Ca 0.42 -1.30 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 3fa4 s ILE 224 Cb -0.08 -2.02 0.06 0.00 0.01 0.00 0.00 42.46 40.43 3fa4 s ILE 224 CO 0.27 0.13 1.13 -0.94 0.00 0.00 0.00 174.94 175.53 3fa4 s SER 225 N 1.24 4.27 0.27 3.58 1.04 -1.26 -4.78 113.70 118.06 3fa4 s SER 225 Ca -0.04 2.04 -0.09 0.00 0.48 0.00 0.00 55.95 58.34 3fa4 s SER 225 Cb -0.18 -2.55 0.42 0.00 0.10 0.00 0.00 66.02 63.82 3fa4 s SER 225 CO -0.08 -2.19 1.57 0.00 0.98 0.00 0.00 173.24 173.52 3fa4 h ALA 226 N -0.83 0.60 -0.55 5.32 0.00 -1.99 -0.48 119.26 121.33 3fa4 h ALA 226 Ca -0.45 0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3fa4 h ALA 226 Cb 1.25 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 3fa4 h ALA 226 CO 0.50 -0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.59 3fa4 h ALA 227 N 1.92 0.70 0.11 0.00 0.00 -2.00 -1.83 119.26 118.15 3fa4 h ALA 227 Ca 0.45 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 55.13 3fa4 h ALA 227 Cb 0.70 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.48 3fa4 h ALA 227 CO -0.99 -0.13 -1.20 1.49 0.00 0.00 0.00 179.25 178.42 3fa4 h GLU 228 N 0.46 0.46 -0.63 0.00 4.81 -1.73 -2.70 114.58 115.25 3fa4 h GLU 228 Ca 0.26 -0.64 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 3fa4 h GLU 228 Cb 0.23 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3fa4 h GLU 228 CO -0.22 1.27 0.26 0.00 -0.73 0.00 0.00 179.01 179.59 3fa4 h ALA 229 N 0.47 0.83 -0.55 2.92 0.00 -1.04 -0.98 119.26 120.91 3fa4 h ALA 229 Ca -0.15 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fa4 h ALA 229 Cb 1.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 3fa4 h ALA 229 CO 0.22 -0.16 0.07 -0.22 0.00 0.00 0.00 179.25 179.16 3fa4 h LYS 230 N 0.45 0.88 0.00 0.00 3.64 -1.28 0.23 116.57 120.49 3fa4 h LYS 230 Ca 0.32 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3fa4 h LYS 230 Cb 0.38 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3fa4 h LYS 230 CO -0.30 0.83 -0.28 0.93 -2.27 0.00 0.00 179.45 178.37 3fa4 h GLU 231 N 0.83 0.00 -0.02 1.90 5.08 -1.11 -2.77 114.58 118.49 3fa4 h GLU 231 Ca 0.17 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.31 3fa4 h GLU 231 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3fa4 h GLU 231 CO 0.01 0.28 -0.90 0.52 -1.00 0.00 0.00 179.01 177.91 3fa4 h MET 232 N 0.00 0.44 0.00 2.33 2.86 -1.09 -3.48 114.93 115.99 3fa4 h MET 232 Ca -0.00 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3fa4 h MET 232 Cb 0.90 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3fa4 h MET 232 CO 0.04 1.10 0.00 0.41 1.06 0.00 0.00 176.91 179.51 3fa4 n GLY 233 N 0.87 1.83 3.76 8.32 0.00 -0.95 -4.96 105.19 114.06 3fa4 n GLY 233 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3fa4 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 234 N -2.00 2.46 -0.05 1.61 0.40 0.03 -4.71 117.98 115.71 3fa4 s PHE 234 Ca 0.00 1.52 0.13 0.00 -0.60 0.00 0.00 56.93 57.98 3fa4 s PHE 234 Cb 0.00 -3.45 -0.20 0.00 0.51 0.00 0.00 43.02 39.87 3fa4 s PHE 234 CO 0.00 -2.09 0.23 0.54 0.70 0.00 0.00 175.22 174.60 3fa4 n ARG 235 N -1.46 0.84 -4.40 0.44 5.12 -0.17 -4.40 116.66 112.64 3fa4 n ARG 235 Ca 0.13 -0.09 -0.20 0.00 -1.93 0.00 0.00 57.85 55.75 3fa4 n ARG 235 Cb 0.50 -1.33 -0.15 0.00 -1.16 0.00 0.00 32.46 30.31 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 -2.79 0.80 -0.10 0.55 1.01 -1.09 -1.55 121.20 118.03 3fa4 s ILE 236 Ca -0.06 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3fa4 s ILE 236 Cb 0.08 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 3fa4 s ILE 236 CO 0.57 0.25 -0.21 -0.51 0.00 0.00 0.00 174.94 175.04 3fa4 s ILE 237 N 0.18 2.37 0.04 2.92 2.07 -0.22 -0.42 121.20 128.14 3fa4 s ILE 237 Ca -0.03 -0.92 0.07 0.00 -1.41 0.00 0.00 60.65 58.37 3fa4 s ILE 237 Cb -0.08 -1.93 -0.03 0.00 0.13 0.00 0.00 42.46 40.55 3fa4 s ILE 237 CO 0.00 0.55 -0.19 0.27 -1.91 0.00 0.00 174.94 173.66 3fa4 s ILE 238 N 0.23 2.68 -0.63 2.00 -4.36 -0.87 -1.86 121.20 118.39 3fa4 s ILE 238 Ca -0.13 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.11 3fa4 s ILE 238 Cb -0.17 -2.11 0.16 0.00 1.25 0.00 0.00 42.46 41.59 3fa4 s ILE 238 CO 0.07 0.36 0.42 -0.36 0.24 0.00 0.00 174.94 175.67 3fa4 s PHE 239 N -0.89 3.27 0.65 1.37 0.40 -0.86 -1.83 117.98 120.09 3fa4 s PHE 239 Ca 0.14 -3.20 0.38 0.00 -0.60 0.00 0.00 56.93 53.65 3fa4 s PHE 239 Cb -0.10 -2.60 2.11 0.00 0.51 0.00 0.00 43.02 42.94 3fa4 s PHE 239 CO 0.04 -0.62 2.23 -1.35 0.70 0.00 0.00 175.22 176.23 3fa4 h PRO 240 N 5.75 0.00 -0.01 0.24 0.11 -1.87 0.45 132.00 136.66 3fa4 h PRO 240 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3fa4 h PRO 240 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3fa4 h PRO 240 CO 0.68 0.00 -0.17 1.19 -0.21 0.00 0.00 178.00 179.49 3fa4 n PHE 241 N -3.21 0.00 -0.31 0.65 3.01 -1.26 -4.51 117.46 111.83 3fa4 n PHE 241 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 3fa4 n PHE 241 Cb 0.17 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.71 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa4 n ALA 242 N 0.32 0.05 -0.06 4.37 0.00 -0.87 -2.20 120.51 122.12 3fa4 n ALA 242 Ca 0.08 0.86 -0.17 0.00 0.00 0.00 0.00 53.44 54.21 3fa4 n ALA 242 Cb 0.35 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.21 3fa4 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 n ALA 243 N -3.63 1.24 0.22 0.00 0.00 -1.15 -4.55 120.51 112.63 3fa4 n ALA 243 Ca 0.11 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.51 3fa4 n ALA 243 Cb 0.37 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 3fa4 n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa4 h LEU 244 N 0.03 -0.45 -0.04 0.00 3.38 -1.73 -0.83 115.31 115.67 3fa4 h LEU 244 Ca -0.47 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.45 3fa4 h LEU 244 Cb 2.02 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.85 3fa4 h LEU 244 CO 0.02 -0.20 -0.34 1.23 0.09 0.00 0.00 178.44 179.23 3fa4 h GLY 245 N -0.69 -1.24 -0.38 0.83 0.00 -1.70 -1.65 103.07 98.24 3fa4 h GLY 245 Ca -0.05 0.66 0.04 0.00 0.00 0.00 0.00 47.33 47.97 3fa4 h GLY 245 CO 0.09 -0.34 -0.25 -2.55 0.00 0.00 0.00 176.54 173.49 3fa4 h PRO 246 N -0.40 -0.03 -1.02 4.80 0.11 -1.78 -1.71 132.00 131.96 3fa4 h PRO 246 Ca 0.01 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.38 3fa4 h PRO 246 Cb 0.45 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.48 3fa4 h PRO 246 CO -0.25 -0.02 0.66 0.00 -0.21 0.00 0.00 178.00 178.18 3fa4 h ALA 247 N -0.43 2.24 0.11 -0.75 0.00 -0.98 -0.58 119.26 118.86 3fa4 h ALA 247 Ca 0.06 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 3fa4 h ALA 247 Cb 0.19 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fa4 h ALA 247 CO -0.38 -0.62 -1.22 0.28 0.00 0.00 0.00 179.25 177.31 3fa4 h VAL 248 N 0.40 1.29 0.05 0.00 2.07 -0.69 -2.63 116.25 116.73 3fa4 h VAL 248 Ca 0.57 -2.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 3fa4 h VAL 248 Cb 1.45 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 3fa4 h VAL 248 CO -0.27 0.75 -0.02 0.00 0.02 0.00 0.00 177.57 178.05 3fa4 h ALA 249 N 0.33 -0.06 -0.79 1.67 0.00 -0.68 -1.98 119.26 117.74 3fa4 h ALA 249 Ca -0.18 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3fa4 h ALA 249 Cb 1.89 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 3fa4 h ALA 249 CO 0.23 -0.44 0.52 0.00 0.00 0.00 0.00 179.25 179.56 3fa4 h ALA 250 N 0.69 1.64 0.12 0.00 0.00 -1.23 -2.33 119.26 118.15 3fa4 h ALA 250 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 3fa4 h ALA 250 Cb 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fa4 h ALA 250 CO 0.01 0.23 -1.21 0.52 0.00 0.00 0.00 179.25 178.80 3fa4 h MET 251 N 0.85 0.46 0.26 0.00 2.86 -1.36 -2.96 114.93 115.03 3fa4 h MET 251 Ca 0.34 -0.65 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3fa4 h MET 251 Cb 0.26 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3fa4 h MET 251 CO -0.12 1.28 -0.13 -0.09 1.06 0.00 0.00 176.91 178.90 3fa4 h ARG 252 N 0.18 -0.35 0.00 1.72 2.43 -1.04 -1.59 114.38 115.73 3fa4 h ARG 252 Ca -0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3fa4 h ARG 252 Cb 1.90 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3fa4 h ARG 252 CO 0.22 -0.23 0.00 1.05 -1.51 0.00 0.00 179.97 179.50 3fa4 h GLU 253 N -0.36 0.00 0.09 0.20 4.11 -1.51 -1.50 114.58 115.60 3fa4 h GLU 253 Ca -0.03 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.12 3fa4 h GLU 253 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3fa4 h GLU 253 CO 0.05 0.00 -1.38 0.00 0.07 0.00 0.00 179.01 177.75 3fa4 h ALA 254 N 2.13 0.28 0.01 1.06 0.00 -1.29 -2.67 119.26 118.78 3fa4 h ALA 254 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 3fa4 h ALA 254 Cb 0.48 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3fa4 h ALA 254 CO 0.00 1.15 -0.25 0.52 0.00 0.00 0.00 179.25 180.67 3fa4 h MET 255 N 0.05 0.16 -0.87 0.00 2.86 -1.04 -0.79 114.93 115.30 3fa4 h MET 255 Ca -0.18 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3fa4 h MET 255 Cb 1.96 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 33.63 3fa4 h MET 255 CO 0.16 0.94 0.58 0.93 1.06 0.00 0.00 176.91 180.58 3fa4 h GLU 256 N -0.55 1.13 -0.81 1.72 5.08 -1.41 0.16 114.58 119.89 3fa4 h GLU 256 Ca -0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3fa4 h GLU 256 Cb 1.04 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 3fa4 h GLU 256 CO 0.05 0.75 0.39 -0.22 -1.00 0.00 0.00 179.01 178.98 3fa4 h LYS 257 N 1.16 1.17 -0.32 2.33 3.64 -1.52 -1.33 116.57 121.70 3fa4 h LYS 257 Ca 0.33 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3fa4 h LYS 257 Cb -0.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 3fa4 h LYS 257 CO -0.08 0.90 -0.34 1.25 -2.27 0.00 0.00 179.45 178.91 3fa4 h LEU 258 N 1.15 0.74 -0.66 5.20 5.85 -0.66 -2.19 115.31 124.74 3fa4 h LEU 258 Ca 0.28 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3fa4 h LEU 258 Cb 0.11 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3fa4 h LEU 258 CO -0.04 1.01 0.34 0.50 -0.34 0.00 0.00 178.44 179.91 3fa4 h LYS 259 N 0.59 0.59 -0.04 1.25 1.63 -0.45 -1.02 116.57 119.13 3fa4 h LYS 259 Ca 0.06 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3fa4 h LYS 259 Cb 0.86 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 3fa4 h LYS 259 CO 0.07 0.39 -0.03 0.00 -3.45 0.00 0.00 179.45 176.44 3fa4 h ARG 260 N 0.61 0.08 0.04 1.90 3.08 -1.16 -3.38 114.38 115.56 3fa4 h ARG 260 Ca 0.31 -0.04 -0.30 0.00 0.07 0.00 0.00 59.98 60.01 3fa4 h ARG 260 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3fa4 h ARG 260 CO -0.22 0.52 -1.66 -0.44 -1.07 0.00 0.00 179.97 177.10 3fa4 h ASP 261 N -0.35 0.14 -0.03 7.04 3.32 -1.46 -3.49 116.42 121.59 3fa4 h ASP 261 Ca 0.01 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3fa4 h ASP 261 Cb 0.50 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3fa4 h ASP 261 CO 0.01 1.23 -0.01 0.61 -1.72 0.00 0.00 179.24 179.37 3fa4 n GLY 262 N 1.63 0.38 3.64 2.75 0.00 -0.39 -5.03 105.19 108.17 3fa4 n GLY 262 Ca -0.18 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.01 -0.01 0.28 -0.61 1.10 -1.26 -5.07 121.20 113.61 3fa4 s ILE 263 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 3fa4 s ILE 263 Cb 0.00 -1.00 0.27 0.00 0.15 0.00 0.00 42.46 41.88 3fa4 s ILE 263 CO 0.00 0.00 1.83 -0.65 -2.11 0.00 0.00 174.94 174.01 3fa4 h PRO 264 N 6.89 0.92 -5.16 3.50 0.11 -1.92 -3.40 132.00 132.94 3fa4 h PRO 264 Ca -0.30 -0.06 -0.30 0.00 0.11 0.00 0.00 66.00 65.46 3fa4 h PRO 264 Cb 1.22 -0.21 0.14 0.00 0.11 0.00 0.00 31.00 32.27 3fa4 h PRO 264 CO 0.16 0.61 -0.65 0.41 -0.21 0.00 0.00 178.00 178.33 3fa4 n GLY 265 N -1.34 -0.27 3.86 -0.55 0.00 -1.26 -4.68 105.19 100.95 3fa4 n GLY 265 Ca 0.18 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3fa4 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa4 s LEU 266 N -5.93 3.79 0.57 0.99 1.43 -1.26 -5.04 118.68 113.23 3fa4 s LEU 266 Ca 0.12 1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 54.28 3fa4 s LEU 266 Cb -0.05 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 3fa4 s LEU 266 CO 0.63 -0.44 1.33 -0.67 0.23 0.00 0.00 176.35 177.43 3fa4 n ASP 267 N -1.30 2.48 -0.28 2.29 -0.08 -1.26 -4.86 116.55 113.53 3fa4 n ASP 267 Ca 0.04 0.94 0.08 0.00 -1.51 0.00 0.00 54.79 54.34 3fa4 n ASP 267 Cb 0.54 -1.56 0.17 0.00 2.34 0.00 0.00 41.12 42.61 3fa4 n ASP 267 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3fa4 n LYS 268 N -1.18 -0.07 0.00 -0.67 -0.00 -1.26 -1.02 118.16 113.96 3fa4 n LYS 268 Ca 0.12 1.22 0.15 0.00 -0.00 0.00 0.00 58.31 59.80 3fa4 n LYS 268 Cb 0.45 -1.88 0.83 0.00 -0.00 0.00 0.00 35.03 34.42 3fa4 n LYS 268 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3fa4 n GLU 269 N -5.22 0.71 -2.62 -1.58 2.13 -1.26 -4.62 120.64 108.18 3fa4 n GLU 269 Ca 0.16 -0.04 -0.43 0.00 0.66 0.00 0.00 57.16 57.51 3fa4 n GLU 269 Cb 0.51 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.72 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3fa4 n MET 270 N -1.11 3.22 -4.29 5.31 2.81 -0.19 -4.68 117.12 118.19 3fa4 n MET 270 Ca 0.18 -3.34 -0.20 0.00 -1.81 0.00 0.00 57.70 52.54 3fa4 n MET 270 Cb 0.19 -3.45 -0.11 0.00 -0.71 0.00 0.00 33.22 29.14 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 3.94 1.57 0.35 2.03 -4.23 -1.26 -4.90 115.64 113.14 3fa4 s THR 271 Ca 0.53 -1.80 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3fa4 s THR 271 Cb 0.03 -1.68 0.32 0.00 1.34 0.00 0.00 72.50 72.51 3fa4 s THR 271 CO 0.07 -0.36 1.87 -0.65 -0.54 0.00 0.00 174.62 175.02 3fa4 h PRO 272 N 3.41 0.71 -0.82 3.99 0.11 -2.00 -2.10 132.00 135.30 3fa4 h PRO 272 Ca -0.41 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.76 3fa4 h PRO 272 Cb 1.20 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 3fa4 h PRO 272 CO 0.50 0.47 0.53 1.96 -0.21 0.00 0.00 178.00 181.26 3fa4 h GLN 273 N 0.73 0.74 -0.02 1.05 7.50 -1.96 -0.46 115.11 122.68 3fa4 h GLN 273 Ca 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.55 3fa4 h GLN 273 Cb 0.67 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 28.03 3fa4 h GLN 273 CO -0.21 0.49 0.00 1.98 -1.50 0.00 0.00 178.83 179.59 3fa4 h MET 274 N 0.76 0.03 -0.52 1.46 4.05 -1.66 0.24 114.93 119.28 3fa4 h MET 274 Ca 0.38 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.85 3fa4 h MET 274 Cb 0.46 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.20 3fa4 h MET 274 CO -0.15 0.29 0.23 1.25 0.23 0.00 0.00 176.91 178.76 3fa4 h LEU 275 N -0.24 0.30 -0.32 3.39 5.85 -1.05 -0.13 115.31 123.10 3fa4 h LEU 275 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3fa4 h LEU 275 Cb 0.28 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3fa4 h LEU 275 CO 0.00 0.20 0.13 -0.26 -0.34 0.00 0.00 178.44 178.18 3fa4 h PHE 276 N 0.45 0.49 -0.52 1.25 0.05 -1.07 -1.97 116.94 115.62 3fa4 h PHE 276 Ca 0.24 -0.04 0.10 0.00 3.82 0.00 0.00 57.97 62.10 3fa4 h PHE 276 Cb 0.21 -0.15 -0.11 0.00 2.00 0.00 0.00 35.95 37.90 3fa4 h PHE 276 CO -0.13 0.46 -0.25 0.00 -0.18 0.00 0.00 178.31 178.22 3fa4 h ARG 277 N 0.38 -0.12 -0.75 1.51 -0.00 -0.77 -1.90 114.38 112.73 3fa4 h ARG 277 Ca 0.11 0.01 0.11 0.00 -0.50 0.00 0.00 59.98 59.70 3fa4 h ARG 277 Cb 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.12 3fa4 h ARG 277 CO -0.01 -0.08 0.49 0.28 0.00 0.00 0.00 179.97 180.65 3fa4 h VAL 278 N -0.12 0.91 -0.75 2.04 2.07 -0.56 -3.03 116.25 116.80 3fa4 h VAL 278 Ca 0.24 -0.21 -0.37 0.00 0.82 0.00 0.00 66.70 67.18 3fa4 h VAL 278 Cb 0.50 0.25 -0.22 0.00 -1.52 0.00 0.00 31.29 30.29 3fa4 h VAL 278 CO -0.60 0.11 0.37 0.00 0.02 0.00 0.00 177.57 177.47 3fa4 n GLY 280 N -1.03 -0.07 0.37 0.00 0.00 -1.14 -4.95 105.19 98.36 3fa4 n GLY 280 Ca 0.49 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.55 0.85 -0.02 0.99 5.85 -1.54 -1.81 115.31 118.08 3fa4 h LEU 281 Ca -0.37 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 3fa4 h LEU 281 Cb 1.25 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3fa4 h LEU 281 CO 0.38 0.51 0.00 0.44 -0.34 0.00 0.00 178.44 179.43 3fa4 h ASP 282 N 0.95 0.04 -0.68 1.25 3.32 -1.88 0.12 116.42 119.54 3fa4 h ASP 282 Ca 0.42 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3fa4 h ASP 282 Cb 0.35 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3fa4 h ASP 282 CO -0.18 0.27 0.45 -0.33 -1.72 0.00 0.00 179.24 177.73 3fa4 h GLU 283 N -0.20 0.77 -0.20 3.56 3.07 -1.95 -0.46 114.58 119.18 3fa4 h GLU 283 Ca 0.01 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 3fa4 h GLU 283 Cb 0.25 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3fa4 h GLU 283 CO 0.00 0.51 -0.36 0.77 -1.40 0.00 0.00 179.01 178.53 3fa4 h SER 284 N 0.79 0.43 0.91 1.42 0.02 -0.73 -1.27 113.55 115.12 3fa4 h SER 284 Ca 0.27 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 3fa4 h SER 284 Cb 0.10 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3fa4 h SER 284 CO -0.08 0.76 -0.76 0.24 -1.14 0.00 0.00 176.83 175.85 3fa4 h MET 285 N 0.36 0.00 -0.03 3.45 2.07 -0.42 -2.58 114.93 117.78 3fa4 h MET 285 Ca 0.04 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.66 3fa4 h MET 285 Cb 0.79 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.52 3fa4 h MET 285 CO 0.06 0.76 -0.03 0.87 1.07 0.00 0.00 176.91 179.64 3fa4 h LYS 286 N 0.00 0.08 -0.53 1.72 1.57 -0.79 -1.68 116.57 116.94 3fa4 h LYS 286 Ca -0.01 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 3fa4 h LYS 286 Cb 1.42 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.62 3fa4 h LYS 286 CO 0.10 0.54 -0.23 0.28 -0.57 0.00 0.00 179.45 179.57 3fa4 h VAL 287 N -0.38 0.31 -0.87 0.50 2.07 -1.31 0.22 116.25 116.79 3fa4 h VAL 287 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3fa4 h VAL 287 Cb 0.52 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3fa4 h VAL 287 CO 0.01 0.00 0.50 -0.78 0.02 0.00 0.00 177.57 177.31 3fa4 h ASP 288 N -0.11 1.07 0.29 0.57 1.82 -1.47 -2.37 116.42 116.22 3fa4 h ASP 288 Ca 0.24 -0.09 -0.19 0.00 -0.39 0.00 0.00 57.03 56.60 3fa4 h ASP 288 Cb 0.49 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 3fa4 h ASP 288 CO -0.60 0.85 -0.77 0.00 -1.61 0.00 0.00 179.24 177.11 3fa4 h ALA 289 N 1.27 0.55 0.07 -0.78 0.00 -0.67 -2.97 119.26 116.73 3fa4 h ALA 289 Ca 0.31 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3fa4 h ALA 289 Cb -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fa4 h ALA 289 CO -0.05 0.78 -0.13 1.96 0.00 0.00 0.00 179.25 181.80 3fa4 h GLN 290 N 0.26 -0.25 -0.11 0.00 4.20 -0.49 -2.89 115.11 115.84 3fa4 h GLN 290 Ca -0.04 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3fa4 h GLN 290 Cb 1.36 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 3fa4 h GLN 290 CO 0.13 -0.17 0.12 0.00 -0.67 0.00 0.00 178.83 178.25 3fa4 h ALA 291 N 0.63 1.71 0.00 3.87 0.00 -1.46 -3.51 119.26 120.50 3fa4 h ALA 291 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fa4 h ALA 291 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fa4 h ALA 291 CO -0.08 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.40