#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s VAL 4 N 0.00 2.49 0.26 1.12 0.11 -1.26 -5.10 120.40 118.02 3fa4 s VAL 4 Ca 0.00 0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.28 3fa4 s VAL 4 Cb 0.00 -2.48 -0.05 0.00 -1.53 0.00 0.00 36.38 32.32 3fa4 s VAL 4 CO 0.00 -0.21 -0.10 0.28 -3.33 0.00 0.00 175.10 171.74 3fa4 s THR 5 N -2.79 1.76 -0.43 5.04 -1.32 -1.26 -5.03 115.64 111.61 3fa4 s THR 5 Ca 0.65 -2.18 0.26 0.00 -1.21 0.00 0.00 61.69 59.21 3fa4 s THR 5 Cb -0.20 -2.32 0.33 0.00 -1.51 0.00 0.00 72.50 68.80 3fa4 s THR 5 CO 0.58 -0.40 1.74 0.00 -2.21 0.00 0.00 174.62 174.33 3fa4 h ALA 6 N 2.36 1.00 -0.80 11.08 0.00 -1.82 -3.08 119.26 127.99 3fa4 h ALA 6 Ca -0.39 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.65 3fa4 h ALA 6 Cb 1.23 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3fa4 h ALA 6 CO 0.65 0.00 0.38 0.00 0.00 0.00 0.00 179.25 180.28 3fa4 h ALA 7 N 2.17 1.17 -0.27 0.00 0.00 -1.81 -2.17 119.26 118.35 3fa4 h ALA 7 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3fa4 h ALA 7 Cb 0.77 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3fa4 h ALA 7 CO 0.00 -0.12 -0.33 1.15 0.00 0.00 0.00 179.25 179.95 3fa4 h THR 8 N 0.56 1.29 0.03 0.00 2.02 -1.81 0.85 112.91 115.85 3fa4 h THR 8 Ca 0.43 -1.45 -0.14 0.00 0.77 0.00 0.00 66.41 66.03 3fa4 h THR 8 Cb 0.61 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3fa4 h THR 8 CO -0.36 0.46 -0.56 0.77 0.37 0.00 0.00 175.52 176.20 3fa4 h SER 9 N 0.49 0.43 -0.84 4.18 4.64 -1.65 -2.65 113.55 118.15 3fa4 h SER 9 Ca 0.06 -0.82 0.01 0.00 -0.47 0.00 0.00 61.79 60.57 3fa4 h SER 9 Cb 0.81 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3fa4 h SER 9 CO 0.07 1.21 0.56 0.25 -0.87 0.00 0.00 176.83 178.04 3fa4 h LEU 10 N -0.29 0.96 -0.58 5.97 5.85 -1.37 -0.95 115.31 124.90 3fa4 h LEU 10 Ca -0.08 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3fa4 h LEU 10 Cb 1.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3fa4 h LEU 10 CO 0.11 0.69 0.19 -0.09 -0.34 0.00 0.00 178.44 178.99 3fa4 h ARG 11 N 1.13 0.89 0.00 1.25 2.43 -0.92 -2.37 114.38 116.78 3fa4 h ARG 11 Ca 0.31 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3fa4 h ARG 11 Cb -0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3fa4 h ARG 11 CO -0.07 0.79 -0.40 0.00 -1.51 0.00 0.00 179.97 178.78 3fa4 h ARG 12 N 0.81 0.00 0.00 0.20 3.08 -1.06 -2.68 114.38 114.73 3fa4 h ARG 12 Ca 0.19 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 3fa4 h ARG 12 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3fa4 h ARG 12 CO -0.01 0.40 -0.65 0.00 -1.07 0.00 0.00 179.97 178.65 3fa4 h ALA 13 N 1.60 0.88 0.00 0.04 0.00 -1.19 -3.15 119.26 117.45 3fa4 h ALA 13 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3fa4 h ALA 13 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fa4 h ALA 13 CO 0.05 0.81 -0.33 1.28 0.00 0.00 0.00 179.25 181.05 3fa4 n LEU 14 N -3.70 0.37 0.05 0.00 4.77 -0.90 -3.18 117.00 114.41 3fa4 n LEU 14 Ca -0.01 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3fa4 n LEU 14 Cb 0.65 -0.33 0.23 0.00 -2.33 0.00 0.00 43.42 41.64 3fa4 n LEU 14 CO 0.42 0.06 0.44 -0.62 -1.33 0.00 0.00 177.39 176.36 3fa4 n GLU 15 N -1.58 0.23 -3.71 3.23 1.02 -1.09 -4.76 120.64 113.98 3fa4 n GLU 15 Ca 0.06 0.08 -0.38 0.00 -0.02 0.00 0.00 57.16 56.90 3fa4 n GLU 15 Cb 0.35 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.99 5.31 0.00 1.62 2.47 -1.19 -5.01 114.94 114.15 3fa4 s ASN 16 Ca 0.08 -0.63 0.04 0.00 0.42 0.00 0.00 52.86 52.77 3fa4 s ASN 16 Cb 0.14 -1.93 0.18 0.00 -1.45 0.00 0.00 41.25 38.19 3fa4 s ASN 16 CO 0.70 -0.19 1.12 -0.81 -3.72 0.00 0.00 177.10 174.19 3fa4 n PRO 17 N 4.92 0.01 -0.02 0.43 -0.04 -1.26 -2.34 135.00 136.69 3fa4 n PRO 17 Ca -0.14 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 3fa4 n PRO 17 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fa4 n ASP 18 N -1.48 1.20 -4.65 3.54 8.00 -1.26 -4.95 116.55 116.94 3fa4 n ASP 18 Ca 0.01 0.32 -0.37 0.00 0.71 0.00 0.00 54.79 55.46 3fa4 n ASP 18 Cb 0.05 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 40.99 3fa4 n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3fa4 n SER 19 N -3.16 1.10 -3.72 -2.24 7.64 -0.99 -5.03 113.62 107.23 3fa4 n SER 19 Ca -0.23 0.75 -0.14 0.00 1.01 0.00 0.00 58.87 60.27 3fa4 n SER 19 Cb 1.06 -1.45 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 3fa4 n SER 19 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fa4 s PHE 20 N -1.60 -0.27 -0.31 1.43 5.36 -1.26 -4.90 117.98 116.43 3fa4 s PHE 20 Ca 0.77 0.69 -0.12 0.00 -0.96 0.00 0.00 56.93 57.32 3fa4 s PHE 20 Cb -0.37 -0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.23 3fa4 s PHE 20 CO 0.46 -0.23 0.21 0.42 -1.46 0.00 0.00 175.22 174.61 3fa4 s ILE 21 N 1.53 5.18 -0.27 3.12 -1.09 -0.40 -5.02 121.20 124.25 3fa4 s ILE 21 Ca -0.06 -0.11 -0.10 0.00 -2.23 0.00 0.00 60.65 58.15 3fa4 s ILE 21 Cb -0.11 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3fa4 s ILE 21 CO -0.07 0.10 0.15 -0.69 -1.23 0.00 0.00 174.94 173.19 3fa4 s VAL 22 N 1.72 4.96 -0.24 2.92 1.01 -1.26 -1.71 120.40 127.80 3fa4 s VAL 22 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3fa4 s VAL 22 Cb -0.17 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.93 3fa4 s VAL 22 CO 0.10 0.29 0.02 0.00 0.00 0.00 0.00 175.10 175.50 3fa4 s ALA 23 N 1.67 1.51 0.53 5.51 0.00 -0.43 -3.81 121.76 126.74 3fa4 s ALA 23 Ca 0.07 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 3fa4 s ALA 23 Cb -0.16 -1.38 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 3fa4 s ALA 23 CO 0.08 -1.29 1.07 -1.25 0.00 0.00 0.00 175.76 174.38 3fa4 s PRO 24 N 1.62 3.54 0.19 0.00 0.04 -1.26 -1.12 135.00 138.00 3fa4 s PRO 24 Ca -0.00 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 3fa4 s PRO 24 Cb -0.18 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 3fa4 s PRO 24 CO -0.11 -0.66 0.92 0.20 0.04 0.00 0.00 177.00 177.40 3fa4 s GLY 25 N -2.05 3.05 -0.07 0.56 0.00 0.92 -0.17 107.32 109.55 3fa4 s GLY 25 Ca 0.69 0.57 -0.08 0.00 0.00 0.00 0.00 44.72 45.89 3fa4 s GLY 25 CO 0.25 1.23 0.22 0.14 0.00 0.00 0.00 173.10 174.95 3fa4 s VAL 26 N -0.79 0.01 0.00 1.40 1.01 -0.28 -3.61 120.40 118.14 3fa4 s VAL 26 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3fa4 s VAL 26 Cb -0.25 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3fa4 s VAL 26 CO 0.30 -0.05 0.08 0.00 0.00 0.00 0.00 175.10 175.43 3fa4 n TYR 27 N 2.72 0.00 -3.79 5.22 4.11 -1.26 -1.58 117.16 122.58 3fa4 n TYR 27 Ca -0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.72 3fa4 n TYR 27 Cb 0.58 0.00 0.02 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 -0.05 -1.53 -0.03 9.48 5.75 -1.26 -4.43 116.55 124.48 3fa4 n ASP 28 Ca 0.00 -1.86 -0.06 0.00 -0.01 0.00 0.00 54.79 52.86 3fa4 n ASP 28 Cb 0.15 2.50 0.13 0.00 -1.03 0.00 0.00 41.12 42.86 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 1.63 0.67 0.76 6.12 0.00 -1.95 -1.60 103.07 108.70 3fa4 h GLY 29 Ca -0.24 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3fa4 h GLY 29 CO 0.31 0.54 -0.18 1.41 0.00 0.00 0.00 176.54 178.62 3fa4 h LEU 30 N 0.53 -0.44 -1.19 3.11 3.38 -1.99 0.11 115.31 118.83 3fa4 h LEU 30 Ca 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3fa4 h LEU 30 Cb 0.77 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3fa4 h LEU 30 CO 0.06 -0.12 0.18 0.77 0.09 0.00 0.00 178.44 179.41 3fa4 h SER 31 N -0.77 0.68 0.56 -0.43 4.64 -1.97 -1.91 113.55 114.35 3fa4 h SER 31 Ca -0.05 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 3fa4 h SER 31 Cb 0.52 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3fa4 h SER 31 CO 0.09 0.63 -0.27 0.00 -0.87 0.00 0.00 176.83 176.41 3fa4 h ALA 32 N 1.47 -0.75 -0.76 5.18 0.00 -1.23 -2.12 119.26 121.04 3fa4 h ALA 32 Ca 0.17 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3fa4 h ALA 32 Cb 0.19 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 3fa4 h ALA 32 CO -0.01 -0.92 0.29 0.00 0.00 0.00 0.00 179.25 178.61 3fa4 h ARG 33 N -0.77 0.41 0.05 0.00 2.47 -0.48 -1.70 114.38 114.35 3fa4 h ARG 33 Ca -0.08 -0.02 -0.27 0.00 -1.26 0.00 0.00 59.98 58.35 3fa4 h ARG 33 Cb 0.58 -0.09 0.02 0.00 -1.65 0.00 0.00 29.97 28.84 3fa4 h ARG 33 CO 0.13 0.27 -1.08 0.28 0.56 0.00 0.00 179.97 180.13 3fa4 h VAL 34 N 0.42 1.29 -0.25 2.04 2.07 -1.34 -0.29 116.25 120.19 3fa4 h VAL 34 Ca 0.42 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3fa4 h VAL 34 Cb 0.67 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3fa4 h VAL 34 CO -0.42 0.71 0.16 0.00 0.02 0.00 0.00 177.57 178.03 3fa4 h ALA 35 N 0.35 0.31 -0.81 1.67 0.00 -1.24 -0.57 119.26 118.96 3fa4 h ALA 35 Ca -0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fa4 h ALA 35 Cb 1.75 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 3fa4 h ALA 35 CO 0.21 -0.22 0.52 1.25 0.00 0.00 0.00 179.25 181.01 3fa4 h LEU 36 N 0.33 0.86 -1.25 0.00 5.85 -1.27 -1.01 115.31 118.81 3fa4 h LEU 36 Ca 0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3fa4 h LEU 36 Cb -0.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3fa4 h LEU 36 CO -0.03 0.59 0.13 0.28 -0.34 0.00 0.00 178.44 179.07 3fa4 h SER 37 N 1.01 0.59 0.00 1.25 0.02 -0.71 -2.97 113.55 112.74 3fa4 h SER 37 Ca 0.32 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3fa4 h SER 37 Cb 0.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3fa4 h SER 37 CO -0.11 0.57 0.00 0.00 -1.14 0.00 0.00 176.83 176.15 3fa4 n ALA 38 N -2.47 2.17 -0.27 3.77 0.00 -0.25 -4.83 120.51 118.62 3fa4 n ALA 38 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3fa4 n ALA 38 Cb 0.19 -1.28 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 0.14 0.85 3.74 0.00 0.00 -1.12 -5.05 105.19 103.75 3fa4 n GLY 39 Ca 0.13 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.68 -2.48 1.61 0.40 -1.23 -4.97 117.98 112.99 3fa4 s PHE 40 Ca 0.00 1.69 0.23 0.00 -0.60 0.00 0.00 56.93 58.25 3fa4 s PHE 40 Cb 0.00 -3.21 0.47 0.00 0.51 0.00 0.00 43.02 40.80 3fa4 s PHE 40 CO 0.00 -0.34 1.42 -0.25 0.70 0.00 0.00 175.22 176.76 3fa4 n ASP 41 N 2.00 3.08 -3.83 1.36 8.00 -1.26 -4.79 116.55 121.10 3fa4 n ASP 41 Ca 0.01 -1.94 -0.10 0.00 0.71 0.00 0.00 54.79 53.47 3fa4 n ASP 41 Cb 0.46 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.59 -0.41 0.02 2.24 0.00 -1.25 -4.19 121.76 116.58 3fa4 s ALA 42 Ca 0.37 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3fa4 s ALA 42 Cb 0.22 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 3fa4 s ALA 42 CO 0.31 -0.64 -0.09 -0.51 0.00 0.00 0.00 175.76 174.82 3fa4 s LEU 43 N -2.89 2.12 -0.22 0.00 1.43 -0.08 -4.06 118.68 114.99 3fa4 s LEU 43 Ca 0.10 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3fa4 s LEU 43 Cb 0.03 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.88 3fa4 s LEU 43 CO -0.06 -0.00 -0.13 -0.47 0.23 0.00 0.00 176.35 175.92 3fa4 s TYR 44 N -0.68 2.96 -0.30 0.29 5.04 0.76 -1.11 117.35 124.31 3fa4 s TYR 44 Ca -0.01 -1.68 -0.29 0.00 -2.44 0.00 0.00 57.07 52.65 3fa4 s TYR 44 Cb -0.06 -1.97 -0.00 0.00 0.35 0.00 0.00 41.96 40.27 3fa4 s TYR 44 CO 0.00 -0.78 1.33 1.41 -1.34 0.00 0.00 175.55 176.17 3fa4 s MET 45 N 1.28 3.90 -0.01 4.97 -2.45 -0.40 -1.13 119.30 125.46 3fa4 s MET 45 Ca 0.01 1.27 -0.24 0.00 -1.25 0.00 0.00 55.69 55.48 3fa4 s MET 45 Cb -0.15 -3.89 -0.05 0.00 1.25 0.00 0.00 34.83 31.99 3fa4 s MET 45 CO -0.08 -1.14 0.73 -0.08 1.05 0.00 0.00 175.02 175.49 3fa4 s THR 46 N 4.45 4.90 0.22 10.11 -1.32 -0.61 -2.56 115.64 130.83 3fa4 s THR 46 Ca 0.57 1.53 0.08 0.00 -1.21 0.00 0.00 61.69 62.66 3fa4 s THR 46 Cb -0.17 -4.07 -0.08 0.00 -1.51 0.00 0.00 72.50 66.67 3fa4 s THR 46 CO 0.24 0.31 1.51 1.23 -2.21 0.00 0.00 174.62 175.70 3fa4 h GLY 47 N 6.19 0.05 1.22 6.08 0.00 -1.90 -1.30 103.07 113.42 3fa4 h GLY 47 Ca -0.43 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 3fa4 h GLY 47 CO 0.73 0.07 -0.57 0.00 0.00 0.00 0.00 176.54 176.78 3fa4 h ALA 48 N 1.23 0.50 -0.02 3.60 0.00 -1.96 -2.57 119.26 120.04 3fa4 h ALA 48 Ca -0.01 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 3fa4 h ALA 48 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fa4 h ALA 48 CO 0.10 0.68 -0.83 0.78 0.00 0.00 0.00 179.25 179.99 3fa4 h GLY 49 N 0.76 0.34 1.19 0.00 0.00 -1.90 -2.79 103.07 100.66 3fa4 h GLY 49 Ca 0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 3fa4 h GLY 49 CO 0.12 0.48 0.05 0.00 0.00 0.00 0.00 176.54 177.19 3fa4 h THR 50 N 0.19 1.26 -0.54 4.70 1.03 -1.22 -1.19 112.91 117.13 3fa4 h THR 50 Ca -0.05 -1.05 -0.04 0.00 -0.01 0.00 0.00 66.41 65.27 3fa4 h THR 50 Cb 1.43 0.75 -0.03 0.00 -1.07 0.00 0.00 68.15 69.24 3fa4 h THR 50 CO 0.13 0.38 0.19 0.00 -0.01 0.00 0.00 175.52 176.22 3fa4 h ALA 51 N 1.12 1.32 0.90 0.00 0.00 -1.49 -2.06 119.26 119.05 3fa4 h ALA 51 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fa4 h ALA 51 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fa4 h ALA 51 CO 0.02 0.50 -0.47 0.00 0.00 0.00 0.00 179.25 179.30 3fa4 h ALA 52 N 1.43 -1.27 0.52 0.00 0.00 -1.19 -0.10 119.26 118.65 3fa4 h ALA 52 Ca 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 52 Cb 0.19 0.53 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3fa4 h ALA 52 CO -0.01 -1.22 -0.25 0.77 0.00 0.00 0.00 179.25 178.53 3fa4 h SER 53 N -1.25 -0.60 0.51 0.00 0.02 -1.22 0.49 113.55 111.50 3fa4 h SER 53 Ca -0.12 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 3fa4 h SER 53 Cb 0.98 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 3fa4 h SER 53 CO 0.18 -0.22 -0.59 1.62 -1.14 0.00 0.00 176.83 176.68 3fa4 h VAL 54 N -1.05 1.41 0.00 2.27 3.04 -1.52 -3.36 116.25 117.04 3fa4 h VAL 54 Ca -0.07 -1.99 -0.02 0.00 -1.01 0.00 0.00 66.70 63.61 3fa4 h VAL 54 Cb 0.61 2.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.94 3fa4 h VAL 54 CO 0.12 0.57 -1.28 1.41 -1.01 0.00 0.00 177.57 177.38 3fa4 n HIS 55 N -3.86 0.00 -2.49 3.17 8.25 -0.66 -5.01 115.22 114.63 3fa4 n HIS 55 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 3fa4 n HIS 55 Cb 0.59 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.56 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 2.28 -0.05 3.35 -1.41 0.00 0.17 -4.99 105.19 104.54 3fa4 n GLY 56 Ca -0.03 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.93 1.35 0.86 1.61 -1.52 -0.94 -4.95 119.66 111.14 3fa4 s GLN 57 Ca 0.10 -1.59 -0.11 0.00 -1.95 0.00 0.00 55.36 51.81 3fa4 s GLN 57 Cb -0.04 -1.18 0.11 0.00 -0.22 0.00 0.00 33.01 31.67 3fa4 s GLN 57 CO 0.12 0.20 1.10 0.00 -0.25 0.00 0.00 175.29 176.46 3fa4 s ALA 58 N -2.86 1.73 -1.17 6.09 0.00 -1.26 -3.14 121.76 121.14 3fa4 s ALA 58 Ca 0.22 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 3fa4 s ALA 58 Cb -0.01 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3fa4 s ALA 58 CO 0.07 -2.28 1.84 0.34 0.00 0.00 0.00 175.76 175.74 3fa4 s ASP 59 N -3.18 5.66 -0.15 0.00 3.68 -1.26 -4.77 116.67 116.65 3fa4 s ASP 59 Ca 0.63 -1.74 0.15 0.00 2.13 0.00 0.00 52.55 53.72 3fa4 s ASP 59 Cb -0.19 -2.58 0.41 0.00 -1.45 0.00 0.00 42.92 39.10 3fa4 s ASP 59 CO 0.57 -2.39 1.20 0.18 0.13 0.00 0.00 175.17 174.86 3fa4 n LEU 60 N 12.25 2.20 -2.76 -1.34 4.77 -1.26 -4.96 117.00 125.90 3fa4 n LEU 60 Ca 0.44 -3.32 -0.16 0.00 -0.03 0.00 0.00 56.01 52.95 3fa4 n LEU 60 Cb 0.47 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3fa4 n LEU 60 CO 0.69 1.12 0.15 0.61 -1.33 0.00 0.00 177.39 178.62 3fa4 n GLY 61 N -0.71 -0.14 0.13 -0.72 0.00 -1.26 -4.95 105.19 97.53 3fa4 n GLY 61 Ca 0.15 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3fa4 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 62 N -3.95 1.66 -2.12 -0.61 2.08 -1.26 -4.90 119.36 110.25 3fa4 n ILE 62 Ca -0.07 -0.67 -0.38 0.00 0.56 0.00 0.00 62.75 62.19 3fa4 n ILE 62 Cb 0.57 -1.47 -0.00 0.00 -0.75 0.00 0.00 39.64 37.99 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fa4 s THR 64 N -1.39 2.83 0.20 0.00 -1.32 -1.26 -4.96 115.64 109.74 3fa4 s THR 64 Ca 0.62 -1.73 -0.10 0.00 -1.21 0.00 0.00 61.69 59.26 3fa4 s THR 64 Cb -0.34 -2.95 0.15 0.00 -1.51 0.00 0.00 72.50 67.85 3fa4 s THR 64 CO 0.42 -0.15 1.72 0.25 -2.21 0.00 0.00 174.62 174.64 3fa4 h LEU 65 N 1.56 0.05 -0.91 9.08 5.85 -1.96 -1.60 115.31 127.37 3fa4 h LEU 65 Ca -0.43 0.10 0.19 0.00 0.84 0.00 0.00 57.88 58.58 3fa4 h LEU 65 Cb 1.25 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 42.24 3fa4 h LEU 65 CO 0.65 0.04 -0.17 0.78 -0.34 0.00 0.00 178.44 179.39 3fa4 h ASN 66 N 0.28 -0.75 -0.10 1.25 4.21 -1.99 -0.94 115.58 117.54 3fa4 h ASN 66 Ca 0.30 0.27 -0.17 0.00 1.21 0.00 0.00 56.30 57.90 3fa4 h ASN 66 Cb 0.42 0.54 0.01 0.00 -1.12 0.00 0.00 38.32 38.16 3fa4 h ASN 66 CO -0.37 -0.30 -0.62 0.44 -1.29 0.00 0.00 177.43 175.30 3fa4 h ASP 67 N 0.01 0.72 -0.08 5.81 3.32 -1.80 -2.62 116.42 121.78 3fa4 h ASP 67 Ca 0.46 -0.65 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 3fa4 h ASP 67 Cb 0.75 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3fa4 h ASP 67 CO -0.91 1.26 -0.17 0.24 -1.72 0.00 0.00 179.24 177.94 3fa4 h MET 68 N 0.23 0.26 -0.42 3.56 2.86 -1.09 -2.90 114.93 117.43 3fa4 h MET 68 Ca -0.05 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3fa4 h MET 68 Cb 1.26 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 3fa4 h MET 68 CO 0.13 0.76 0.17 -0.09 1.06 0.00 0.00 176.91 178.94 3fa4 h ARG 69 N -0.20 0.62 -0.51 1.72 1.12 -1.29 -1.02 114.38 114.81 3fa4 h ARG 69 Ca 0.00 -0.11 0.03 0.00 -1.11 0.00 0.00 59.98 58.80 3fa4 h ARG 69 Cb 0.75 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.57 3fa4 h ARG 69 CO 0.04 0.57 0.29 0.00 -3.11 0.00 0.00 179.97 177.76 3fa4 h ALA 70 N 1.02 0.66 -0.09 2.80 0.00 -1.54 0.18 119.26 122.28 3fa4 h ALA 70 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3fa4 h ALA 70 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fa4 h ALA 70 CO -0.01 -0.03 0.04 -0.97 0.00 0.00 0.00 179.25 178.28 3fa4 h ASN 71 N 0.57 0.12 -0.34 0.00 -1.24 -1.30 -2.28 115.58 111.11 3fa4 h ASN 71 Ca 0.21 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 3fa4 h ASN 71 Cb 0.06 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3fa4 h ASN 71 CO -0.12 0.24 0.08 0.00 -1.29 0.00 0.00 177.43 176.34 3fa4 h ALA 72 N 0.89 1.35 -0.01 1.57 0.00 -0.86 -1.87 119.26 120.34 3fa4 h ALA 72 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fa4 h ALA 72 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fa4 h ALA 72 CO -0.00 0.46 0.00 1.49 0.00 0.00 0.00 179.25 181.20 3fa4 h GLU 73 N 0.62 0.01 -0.32 0.00 4.81 -0.53 -0.86 114.58 118.30 3fa4 h GLU 73 Ca 0.14 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3fa4 h GLU 73 Cb 0.27 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3fa4 h GLU 73 CO 0.00 0.24 -0.01 0.00 -0.73 0.00 0.00 179.01 178.51 3fa4 h MET 74 N -0.23 0.50 -0.08 1.92 -0.00 -1.21 -1.71 114.93 114.12 3fa4 h MET 74 Ca 0.00 -0.11 -0.19 0.00 -0.00 0.00 0.00 59.70 59.40 3fa4 h MET 74 Cb 0.24 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.76 3fa4 h MET 74 CO 0.00 0.54 -0.76 0.82 -0.00 0.00 0.00 176.91 177.51 3fa4 h ILE 75 N 0.48 1.37 0.00 -0.10 2.04 -1.28 -3.01 117.51 117.01 3fa4 h ILE 75 Ca 0.10 -2.15 -0.08 0.00 1.00 0.00 0.00 64.86 63.72 3fa4 h ILE 75 Cb 0.33 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3fa4 h ILE 75 CO 0.01 0.65 -0.40 0.28 0.00 0.00 0.00 178.15 178.69 3fa4 h SER 76 N 0.30 0.00 -0.65 1.72 0.02 -0.63 -3.14 113.55 111.17 3fa4 h SER 76 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3fa4 h SER 76 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3fa4 h SER 76 CO 0.13 0.40 0.00 0.59 -1.14 0.00 0.00 176.83 176.82 3fa4 n ASN 77 N -3.45 3.80 -0.02 3.07 3.02 -0.69 -3.50 115.26 117.48 3fa4 n ASN 77 Ca 0.00 -2.03 -0.15 0.00 -0.03 0.00 0.00 54.58 52.37 3fa4 n ASN 77 Cb 0.56 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 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 3.82 1.52 -3.37 2.41 2.04 -1.48 -3.40 117.51 119.06 3fa4 h ILE 78 Ca 0.00 -1.94 -0.62 0.00 1.00 0.00 0.00 64.86 63.30 3fa4 h ILE 78 Cb 0.96 2.70 -0.40 0.00 -0.74 0.00 0.00 36.82 39.35 3fa4 h ILE 78 CO 0.01 0.54 -0.73 -0.55 0.00 0.00 0.00 178.15 177.42 3fa4 s SER 79 N -6.37 4.30 0.37 1.72 0.15 -1.26 -5.02 113.70 107.60 3fa4 s SER 79 Ca -0.15 -2.12 0.25 0.00 0.70 0.00 0.00 55.95 54.63 3fa4 s SER 79 Cb 0.01 -1.27 1.35 0.00 -1.71 0.00 0.00 66.02 64.41 3fa4 s SER 79 CO 0.75 -0.36 1.76 -0.65 1.20 0.00 0.00 173.24 175.94 3fa4 h PRO 80 N 7.56 0.00 0.00 5.44 0.11 -1.78 -2.52 132.00 140.81 3fa4 h PRO 80 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3fa4 h PRO 80 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3fa4 h PRO 80 CO 0.51 0.00 -0.99 -1.13 -0.21 0.00 0.00 178.00 176.19 3fa4 n SER 81 N -2.37 0.90 -4.68 -2.05 3.41 -1.26 -4.20 113.62 103.37 3fa4 n SER 81 Ca -0.02 -0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 57.53 3fa4 n SER 81 Cb 0.04 1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 65.16 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 -2.62 4.50 0.34 6.66 2.01 -0.95 -4.86 115.64 120.71 3fa4 s THR 82 Ca 0.03 1.80 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 3fa4 s THR 82 Cb 0.11 -4.16 -0.10 0.00 0.01 0.00 0.00 72.50 68.36 3fa4 s THR 82 CO 0.64 -0.06 1.29 -2.84 -0.69 0.00 0.00 174.62 172.96 3fa4 s PRO 83 N 2.59 4.30 -0.12 4.92 0.02 -1.26 -4.89 135.00 140.56 3fa4 s PRO 83 Ca 0.51 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3fa4 s PRO 83 Cb -0.20 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.32 3fa4 s PRO 83 CO 0.16 -0.22 -0.12 0.08 -0.33 0.00 0.00 177.00 176.58 3fa4 s VAL 84 N -1.17 1.31 -0.26 3.83 1.01 -1.26 -0.90 120.40 122.96 3fa4 s VAL 84 Ca 0.50 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3fa4 s VAL 84 Cb -0.39 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3fa4 s VAL 84 CO 0.52 0.41 0.17 -0.63 0.00 0.00 0.00 175.10 175.57 3fa4 s ILE 85 N 1.44 5.26 -0.06 2.22 1.01 -0.27 -1.96 121.20 128.84 3fa4 s ILE 85 Ca 0.02 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.87 3fa4 s ILE 85 Cb -0.13 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 3fa4 s ILE 85 CO -0.07 0.30 -0.22 0.00 0.00 0.00 0.00 174.94 174.94 3fa4 s ALA 86 N 1.44 2.29 0.19 9.38 0.00 0.07 -1.28 121.76 133.85 3fa4 s ALA 86 Ca 0.07 -1.02 -0.33 0.00 0.00 0.00 0.00 51.96 50.68 3fa4 s ALA 86 Cb -0.15 -0.78 -0.14 0.00 0.00 0.00 0.00 23.12 22.06 3fa4 s ALA 86 CO 0.08 0.42 1.54 -3.47 0.00 0.00 0.00 175.76 174.33 3fa4 n ASP 87 N 2.92 3.10 -0.39 0.00 4.64 -1.06 -2.12 116.55 123.64 3fa4 n ASP 87 Ca -0.17 1.10 0.07 0.00 -1.38 0.00 0.00 54.79 54.41 3fa4 n ASP 87 Cb 0.52 -1.44 0.13 0.00 -1.04 0.00 0.00 41.12 39.29 3fa4 n ASP 87 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fa4 n ALA 88 N 2.97 2.66 -0.13 -1.67 0.00 -0.90 -4.85 120.51 118.60 3fa4 n ALA 88 Ca 0.15 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.98 3fa4 n ALA 88 Cb 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.02 0.00 -0.50 0.00 8.00 -1.25 -1.10 116.55 120.68 3fa4 n ASP 89 Ca 0.14 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.69 3fa4 n ASP 89 Cb 0.70 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.92 -0.63 -3.53 -2.24 -1.26 -0.79 114.28 106.75 3fa4 n THR 90 Ca 0.00 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 3fa4 n THR 90 Cb 0.00 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.33 0.64 2.64 3.38 0.00 -0.26 -4.38 105.19 107.55 3fa4 n GLY 91 Ca 0.09 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.37 0.00 1.61 4.02 -1.26 -3.28 117.16 114.25 3fa4 n TYR 92 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 3fa4 n TYR 92 Cb 0.00 -3.77 0.00 0.00 -0.02 0.00 0.00 39.34 35.55 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 -1.27 0.86 0.10 2.72 0.00 -1.26 -4.83 105.19 101.51 3fa4 n GLY 93 Ca -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.54 0.31 -0.02 0.00 -1.26 -4.58 105.19 99.10 3fa4 n GLY 94 Ca 0.00 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 0.10 -0.64 1.61 0.11 -1.95 0.10 132.00 131.33 3fa4 h PRO 95 Ca -0.01 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.22 3fa4 h PRO 95 Cb 0.03 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.03 3fa4 h PRO 95 CO 0.01 0.07 0.14 0.82 -0.21 0.00 0.00 178.00 178.82 3fa4 h ILE 96 N 0.10 0.61 -0.17 4.15 1.08 -1.98 0.12 117.51 121.42 3fa4 h ILE 96 Ca 0.51 -0.09 -0.19 0.00 -0.39 0.00 0.00 64.86 64.70 3fa4 h ILE 96 Cb 0.98 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 3fa4 h ILE 96 CO -0.75 0.05 -0.65 0.24 -0.69 0.00 0.00 178.15 176.35 3fa4 h MET 97 N 0.26 0.62 -0.25 2.37 2.86 -1.19 -2.69 114.93 116.90 3fa4 h MET 97 Ca 0.34 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3fa4 h MET 97 Cb 0.52 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3fa4 h MET 97 CO -0.43 1.07 0.01 0.28 1.06 0.00 0.00 176.91 178.89 3fa4 h VAL 98 N 0.45 1.15 -0.41 -2.22 2.07 -0.51 -2.03 116.25 114.75 3fa4 h VAL 98 Ca -0.02 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3fa4 h VAL 98 Cb 1.23 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3fa4 h VAL 98 CO 0.13 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.90 3fa4 h ALA 99 N 1.65 0.56 -0.23 1.67 0.00 -0.66 -2.43 119.26 119.82 3fa4 h ALA 99 Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3fa4 h ALA 99 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fa4 h ALA 99 CO 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 179.25 179.43 3fa4 h ARG 100 N 0.57 0.53 -0.57 0.00 3.08 -1.21 -1.67 114.38 115.10 3fa4 h ARG 100 Ca 0.11 -0.26 0.10 0.00 0.07 0.00 0.00 59.98 60.00 3fa4 h ARG 100 Cb 0.51 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.45 3fa4 h ARG 100 CO 0.03 0.84 -0.34 1.15 -1.07 0.00 0.00 179.97 180.57 3fa4 h THR 101 N 0.22 0.17 -0.13 2.04 2.02 -1.44 0.70 112.91 116.49 3fa4 h THR 101 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3fa4 h THR 101 Cb 0.72 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3fa4 h THR 101 CO 0.05 0.00 0.06 0.74 0.37 0.00 0.00 175.52 176.74 3fa4 h THR 102 N -0.17 1.12 0.13 3.16 2.02 -1.30 0.75 112.91 118.62 3fa4 h THR 102 Ca 0.22 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3fa4 h THR 102 Cb 0.55 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3fa4 h THR 102 CO -0.66 0.11 -0.11 -0.33 0.37 0.00 0.00 175.52 174.89 3fa4 h GLU 103 N 0.09 -0.25 -0.52 6.66 5.08 -1.24 -1.29 114.58 123.11 3fa4 h GLU 103 Ca 0.05 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3fa4 h GLU 103 Cb 0.12 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3fa4 h GLU 103 CO -0.01 -0.17 0.16 1.96 -1.00 0.00 0.00 179.01 179.96 3fa4 h GLN 104 N -0.26 0.81 -0.41 2.33 4.20 0.45 -1.90 115.11 120.33 3fa4 h GLN 104 Ca -0.00 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.55 3fa4 h GLN 104 Cb 0.24 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3fa4 h GLN 104 CO -0.02 0.75 0.24 1.88 -0.67 0.00 0.00 178.83 181.01 3fa4 h TYR 105 N 0.72 0.45 0.48 2.96 -1.99 -0.91 -2.29 116.97 116.39 3fa4 h TYR 105 Ca 0.17 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 3fa4 h TYR 105 Cb 0.27 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3fa4 h TYR 105 CO 0.02 0.26 -0.43 0.77 -0.00 0.00 0.00 178.16 178.78 3fa4 h SER 106 N 0.49 -1.15 -1.15 3.88 0.02 -0.98 -2.56 113.55 112.11 3fa4 h SER 106 Ca 0.16 0.09 0.33 0.00 -0.84 0.00 0.00 61.79 61.53 3fa4 h SER 106 Cb 0.01 0.37 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 3fa4 h SER 106 CO -0.07 -0.58 0.75 0.03 -1.14 0.00 0.00 176.83 175.81 3fa4 h ARG 107 N -0.89 0.25 0.00 3.45 3.08 -1.40 -1.06 114.38 117.80 3fa4 h ARG 107 Ca -0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 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 -0.02 0.16 0.00 0.43 -1.07 0.00 0.00 179.97 179.47 3fa4 n SER 108 N -4.61 0.56 0.00 7.04 7.64 -0.86 -4.89 113.62 118.50 3fa4 n SER 108 Ca 0.29 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3fa4 n SER 108 Cb 1.10 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.04 0.76 3.74 0.23 0.00 -0.40 -4.68 105.19 104.87 3fa4 n GLY 109 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.15 2.72 -0.25 1.61 1.01 -1.05 -4.62 120.40 117.66 3fa4 s VAL 110 Ca 0.00 0.59 0.20 0.00 0.00 0.00 0.00 61.98 62.77 3fa4 s VAL 110 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 33.08 3fa4 s VAL 110 CO 0.00 0.09 1.21 0.00 0.00 0.00 0.00 175.10 176.40 3fa4 h ALA 111 N 5.33 0.69 -1.65 5.51 0.00 -1.72 -3.42 119.26 124.00 3fa4 h ALA 111 Ca -0.45 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.33 3fa4 h ALA 111 Cb 1.22 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 3fa4 h ALA 111 CO 0.80 0.28 0.59 0.00 0.00 0.00 0.00 179.25 180.91 3fa4 s ALA 112 N -3.17 -1.94 0.12 0.00 0.00 -1.16 -1.72 121.76 113.89 3fa4 s ALA 112 Ca 0.02 1.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.40 3fa4 s ALA 112 Cb 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3fa4 s ALA 112 CO 0.76 -0.40 0.22 -0.59 0.00 0.00 0.00 175.76 175.75 3fa4 s PHE 113 N -1.57 0.32 -0.07 0.00 -0.12 -0.97 -0.75 117.98 114.81 3fa4 s PHE 113 Ca 0.01 -0.72 0.05 0.00 -0.05 0.00 0.00 56.93 56.22 3fa4 s PHE 113 Cb -0.01 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 3fa4 s PHE 113 CO -0.01 -0.62 -0.22 -3.38 -0.05 0.00 0.00 175.22 170.94 3fa4 s HIS 114 N -3.92 2.53 -0.14 3.49 -3.43 -0.90 -0.93 115.29 111.98 3fa4 s HIS 114 Ca 0.12 -0.66 -0.04 0.00 -0.80 0.00 0.00 55.06 53.68 3fa4 s HIS 114 Cb 0.04 -1.64 -0.03 0.00 -1.43 0.00 0.00 32.58 29.52 3fa4 s HIS 114 CO -0.05 -0.17 0.02 0.42 -2.00 0.00 0.00 174.74 172.95 3fa4 s ILE 115 N -0.15 4.42 0.42 -5.38 -1.09 -0.65 -2.11 121.20 116.65 3fa4 s ILE 115 Ca -0.03 -0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 3fa4 s ILE 115 Cb -0.14 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3fa4 s ILE 115 CO 0.04 0.53 0.29 -1.83 -1.23 0.00 0.00 174.94 172.74 3fa4 s GLU 116 N -0.14 2.39 -0.22 2.79 -1.05 0.03 -0.59 118.70 121.90 3fa4 s GLU 116 Ca 0.05 -1.69 0.15 0.00 -0.15 0.00 0.00 54.97 53.33 3fa4 s GLU 116 Cb -0.12 -2.19 0.71 0.00 -0.44 0.00 0.00 34.13 32.08 3fa4 s GLU 116 CO 0.02 -0.18 1.63 -0.40 0.95 0.00 0.00 175.26 177.28 3fa4 n ASP 117 N -1.42 4.98 -4.73 0.83 5.75 -1.21 -4.63 116.55 116.13 3fa4 n ASP 117 Ca 0.01 -2.99 -0.29 0.00 -0.01 0.00 0.00 54.79 51.51 3fa4 n ASP 117 Cb 0.63 -0.63 0.12 0.00 -1.03 0.00 0.00 41.12 40.21 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 -2.81 1.39 0.70 0.11 -0.21 -1.26 -2.06 119.66 115.52 3fa4 s GLN 118 Ca 0.50 0.12 -0.15 0.00 0.02 0.00 0.00 55.36 55.84 3fa4 s GLN 118 Cb 0.39 -1.88 0.02 0.00 1.00 0.00 0.00 33.01 32.54 3fa4 s GLN 118 CO 0.13 -1.99 1.18 0.08 -2.12 0.00 0.00 175.29 172.57 3fa4 s VAL 119 N -3.48 2.58 -0.15 1.09 1.01 0.20 -4.17 120.40 117.48 3fa4 s VAL 119 Ca 0.64 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.66 3fa4 s VAL 119 Cb -0.12 -2.85 -0.22 0.00 0.00 0.00 0.00 36.38 33.19 3fa4 s VAL 119 CO 0.51 -0.15 0.60 -0.61 0.00 0.00 0.00 175.10 175.45 3fa4 h GLN 120 N -0.13 0.00 -1.48 2.72 4.15 -1.97 -3.49 115.11 114.91 3fa4 h GLN 120 Ca -0.48 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.35 3fa4 h GLN 120 Cb 1.28 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.55 3fa4 h GLN 120 CO 0.51 0.90 -0.70 -2.37 -1.93 0.00 0.00 178.83 175.25 3fa4 n THR 121 N -4.60 2.41 -2.48 2.39 5.66 -1.26 -4.93 114.28 111.47 3fa4 n THR 121 Ca -0.13 -4.88 -0.42 0.00 -3.05 0.00 0.00 64.05 55.57 3fa4 n THR 121 Cb 0.47 -1.26 -0.03 0.00 -1.55 0.00 0.00 70.33 67.96 3fa4 n THR 121 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3fa4 s LYS 130 N -3.56 4.40 -0.10 1.09 1.02 -1.26 -5.09 119.74 116.23 3fa4 s LYS 130 Ca 0.48 1.66 0.03 0.00 0.02 0.00 0.00 55.97 58.17 3fa4 s LYS 130 Cb 0.40 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 3fa4 s LYS 130 CO -0.18 -0.35 -0.22 0.42 -0.92 0.00 0.00 175.35 174.10 3fa4 s ILE 131 N 1.78 1.93 0.16 2.17 1.01 -1.26 -4.98 121.20 122.01 3fa4 s ILE 131 Ca 0.56 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.35 3fa4 s ILE 131 Cb -0.25 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3fa4 s ILE 131 CO 0.24 0.53 -0.15 -1.48 0.00 0.00 0.00 174.94 174.08 3fa4 s LEU 132 N 0.51 2.47 0.72 2.97 2.34 -1.26 -0.63 118.68 125.80 3fa4 s LEU 132 Ca -0.15 -0.90 -0.11 0.00 0.06 0.00 0.00 54.13 53.02 3fa4 s LEU 132 Cb -0.17 -0.66 0.02 0.00 -0.56 0.00 0.00 46.19 44.82 3fa4 s LEU 132 CO 0.06 -0.13 1.08 0.68 -1.06 0.00 0.00 176.35 176.98 3fa4 s VAL 133 N -2.43 3.64 1.04 1.48 -7.23 -0.87 -4.67 120.40 111.36 3fa4 s VAL 133 Ca 0.16 0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 60.74 3fa4 s VAL 133 Cb -0.03 -3.38 0.21 0.00 0.56 0.00 0.00 36.38 33.74 3fa4 s VAL 133 CO 0.05 -0.70 1.08 1.51 -0.31 0.00 0.00 175.10 176.73 3fa4 s ASP 134 N -4.03 1.99 0.40 4.85 1.47 -1.26 -4.80 116.67 115.27 3fa4 s ASP 134 Ca 0.59 1.75 0.18 0.00 1.18 0.00 0.00 52.55 56.24 3fa4 s ASP 134 Cb -0.13 -2.38 0.83 0.00 -0.34 0.00 0.00 42.92 40.90 3fa4 s ASP 134 CO 0.54 -3.61 1.82 0.00 0.68 0.00 0.00 175.17 174.60 3fa4 h THR 135 N -2.22 0.98 -0.20 2.11 1.03 -1.97 -2.80 112.91 109.83 3fa4 h THR 135 Ca -0.53 -1.28 -0.01 0.00 -0.01 0.00 0.00 66.41 64.58 3fa4 h THR 135 Cb 1.30 1.75 -0.01 0.00 -1.07 0.00 0.00 68.15 70.12 3fa4 h THR 135 CO 0.48 0.33 0.09 0.44 -0.01 0.00 0.00 175.52 176.85 3fa4 h ASP 136 N 0.00 0.26 -0.85 0.00 5.19 -1.98 0.06 116.42 119.09 3fa4 h ASP 136 Ca -0.00 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 3fa4 h ASP 136 Cb 0.72 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.12 3fa4 h ASP 136 CO 0.04 0.32 0.50 0.74 -3.12 0.00 0.00 179.24 177.73 3fa4 h THR 137 N 0.19 1.24 -0.41 0.35 2.02 -1.87 0.55 112.91 114.98 3fa4 h THR 137 Ca 0.07 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 3fa4 h THR 137 Cb 0.13 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3fa4 h THR 137 CO -0.01 0.26 -0.25 0.22 0.37 0.00 0.00 175.52 176.11 3fa4 h TYR 138 N 1.18 1.03 0.00 3.16 3.20 -1.44 -2.27 116.97 121.83 3fa4 h TYR 138 Ca 0.30 -0.27 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3fa4 h TYR 138 Cb -0.02 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3fa4 h TYR 138 CO 0.00 1.07 -0.24 0.28 -1.64 0.00 0.00 178.16 177.63 3fa4 h VAL 139 N 0.70 0.80 0.17 1.81 2.07 0.14 -2.17 116.25 119.78 3fa4 h VAL 139 Ca 0.08 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3fa4 h VAL 139 Cb 0.82 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3fa4 h VAL 139 CO 0.07 0.23 -0.08 0.00 0.02 0.00 0.00 177.57 177.81 3fa4 h THR 140 N 0.00 0.87 -0.85 2.57 1.03 0.13 -1.27 112.91 115.40 3fa4 h THR 140 Ca -0.00 -0.19 0.19 0.00 -0.01 0.00 0.00 66.41 66.40 3fa4 h THR 140 Cb 0.55 0.99 -0.11 0.00 -1.07 0.00 0.00 68.15 68.51 3fa4 h THR 140 CO 0.03 0.04 0.36 0.03 -0.01 0.00 0.00 175.52 175.97 3fa4 h ARG 141 N -0.32 0.42 0.00 0.00 3.08 -0.85 -1.72 114.38 114.99 3fa4 h ARG 141 Ca -0.02 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3fa4 h ARG 141 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3fa4 h ARG 141 CO 0.04 0.28 -0.88 -0.84 -1.07 0.00 0.00 179.97 177.50 3fa4 h ILE 142 N 0.43 0.86 -0.15 2.04 -0.00 -1.33 -2.76 117.51 116.60 3fa4 h ILE 142 Ca 0.50 -2.32 -0.05 0.00 -0.00 0.00 0.00 64.86 62.99 3fa4 h ILE 142 Cb 0.87 2.36 -0.00 0.00 -0.00 0.00 0.00 36.82 40.05 3fa4 h ILE 142 CO -0.48 0.49 -0.11 -0.09 -0.00 0.00 0.00 178.15 177.96 3fa4 h ARG 143 N 0.00 0.33 -0.45 0.16 2.43 -1.05 -2.11 114.38 113.70 3fa4 h ARG 143 Ca -0.06 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3fa4 h ARG 143 Cb 1.51 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.98 3fa4 h ARG 143 CO 0.07 0.69 -0.12 0.00 -1.51 0.00 0.00 179.97 179.10 3fa4 h ALA 144 N 0.63 0.28 0.26 2.80 0.00 -1.36 0.11 119.26 121.98 3fa4 h ALA 144 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fa4 h ALA 144 Cb 0.61 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3fa4 h ALA 144 CO 0.03 -0.46 -0.27 0.00 0.00 0.00 0.00 179.25 178.55 3fa4 h ALA 145 N 1.42 -0.56 -0.76 0.00 0.00 -1.56 -0.99 119.26 116.80 3fa4 h ALA 145 Ca 0.22 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3fa4 h ALA 145 Cb 0.35 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3fa4 h ALA 145 CO -0.47 -0.85 0.45 0.28 0.00 0.00 0.00 179.25 178.66 3fa4 h VAL 146 N -0.57 1.01 -0.03 0.00 2.07 -1.09 -2.29 116.25 115.36 3fa4 h VAL 146 Ca -0.01 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.04 3fa4 h VAL 146 Cb 0.53 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3fa4 h VAL 146 CO -0.07 0.15 -0.81 1.56 0.02 0.00 0.00 177.57 178.42 3fa4 h GLN 147 N 0.83 0.28 -0.79 1.57 4.20 -0.83 -2.73 115.11 117.64 3fa4 h GLN 147 Ca 0.34 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.80 3fa4 h GLN 147 Cb 0.17 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3fa4 h GLN 147 CO -0.17 0.95 0.51 0.00 -0.67 0.00 0.00 178.83 179.45 3fa4 h ALA 148 N 0.96 1.02 0.01 3.87 0.00 -0.83 -1.20 119.26 123.09 3fa4 h ALA 148 Ca -0.04 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 3fa4 h ALA 148 Cb 1.41 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3fa4 h ALA 148 CO 0.13 0.37 -1.07 0.07 0.00 0.00 0.00 179.25 178.75 3fa4 h ARG 149 N 1.03 0.69 0.00 0.00 0.11 -1.46 -3.05 114.38 111.71 3fa4 h ARG 149 Ca 0.30 -0.76 -0.05 0.00 0.10 0.00 0.00 59.98 59.57 3fa4 h ARG 149 Cb -0.06 0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 3fa4 h ARG 149 CO -0.09 1.33 -0.24 1.96 0.10 0.00 0.00 179.97 183.03 3fa4 h GLN 150 N 0.38 0.00 0.00 0.08 4.20 -1.28 -0.77 115.11 117.73 3fa4 h GLN 150 Ca -0.14 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.44 3fa4 h GLN 150 Cb 1.72 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 3fa4 h GLN 150 CO 0.21 0.24 -0.62 -0.09 -0.67 0.00 0.00 178.83 177.90 3fa4 h ARG 151 N 0.00 0.00 -0.02 1.46 2.43 -1.13 -3.21 114.38 113.90 3fa4 h ARG 151 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3fa4 h ARG 151 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3fa4 h ARG 151 CO 0.03 0.62 -0.03 0.44 -1.51 0.00 0.00 179.97 179.53 3fa4 n ILE 152 N -3.63 0.00 -1.97 1.20 -5.35 -0.96 -4.97 119.36 103.67 3fa4 n ILE 152 Ca -0.01 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.92 3fa4 n ILE 152 Cb 0.66 1.41 -0.01 0.00 -1.74 0.00 0.00 39.64 39.96 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 1.15 0.22 3.81 3.28 0.00 -0.74 -5.02 105.19 107.90 3fa4 n GLY 153 Ca 0.12 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.73 6.73 0.00 1.61 0.15 -0.37 -4.98 113.70 114.11 3fa4 s SER 154 Ca 0.00 0.87 0.31 0.00 0.70 0.00 0.00 55.95 57.82 3fa4 s SER 154 Cb 0.00 -2.24 1.66 0.00 -1.71 0.00 0.00 66.02 63.73 3fa4 s SER 154 CO 0.00 0.26 2.09 0.47 1.20 0.00 0.00 173.24 177.26 3fa4 n ASP 155 N 2.30 0.43 -4.54 5.45 8.00 -1.26 -4.56 116.55 122.36 3fa4 n ASP 155 Ca -0.13 -1.14 -0.52 0.00 0.71 0.00 0.00 54.79 53.70 3fa4 n ASP 155 Cb 0.52 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 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 -0.66 0.58 -2.86 0.53 3.06 -1.26 -4.70 119.36 114.04 3fa4 n ILE 156 Ca 0.23 -0.14 -0.42 0.00 -2.50 0.00 0.00 62.75 59.91 3fa4 n ILE 156 Cb 0.18 -0.50 -0.04 0.00 0.54 0.00 0.00 39.64 39.82 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 -0.09 4.83 -0.38 9.51 1.01 -0.70 -4.96 120.40 129.62 3fa4 s VAL 157 Ca 0.80 1.64 -0.19 0.00 0.00 0.00 0.00 61.98 64.22 3fa4 s VAL 157 Cb -1.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 31.24 3fa4 s VAL 157 CO 0.53 -0.07 0.57 -0.69 0.00 0.00 0.00 175.10 175.45 3fa4 s VAL 158 N 2.74 4.94 -0.20 2.92 1.01 -1.26 -2.30 120.40 128.25 3fa4 s VAL 158 Ca 0.37 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 3fa4 s VAL 158 Cb -0.15 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3fa4 s VAL 158 CO 0.08 -0.34 0.28 -0.63 0.00 0.00 0.00 175.10 174.49 3fa4 s ILE 159 N 2.56 5.29 -0.31 2.22 1.01 -0.11 -0.29 121.20 131.58 3fa4 s ILE 159 Ca 0.21 0.47 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 3fa4 s ILE 159 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3fa4 s ILE 159 CO 0.15 0.33 0.38 0.00 0.00 0.00 0.00 174.94 175.80 3fa4 s ALA 160 N 0.95 3.53 -0.06 9.38 0.00 -0.54 -1.64 121.76 133.37 3fa4 s ALA 160 Ca 0.14 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3fa4 s ALA 160 Cb -0.14 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3fa4 s ALA 160 CO 0.05 -0.88 -0.10 0.50 0.00 0.00 0.00 175.76 175.34 3fa4 s ARG 161 N 2.08 2.65 -0.07 0.00 3.52 0.24 -0.66 118.95 126.70 3fa4 s ARG 161 Ca 0.14 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3fa4 s ARG 161 Cb -0.16 -2.51 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 3fa4 s ARG 161 CO 0.11 0.65 -0.16 -0.08 -0.81 0.00 0.00 175.30 175.01 3fa4 s THR 162 N -0.78 1.40 -0.23 4.11 -1.32 -0.44 -3.29 115.64 115.09 3fa4 s THR 162 Ca 0.12 -0.64 0.15 0.00 -1.21 0.00 0.00 61.69 60.10 3fa4 s THR 162 Cb -0.11 -1.24 0.73 0.00 -1.51 0.00 0.00 72.50 70.37 3fa4 s THR 162 CO 0.01 0.41 1.66 0.47 -2.21 0.00 0.00 174.62 174.96 3fa4 n ASP 163 N 3.64 5.12 0.17 8.08 8.00 -1.26 -1.96 116.55 138.34 3fa4 n ASP 163 Ca -0.21 -2.99 0.12 0.00 0.71 0.00 0.00 54.79 52.42 3fa4 n ASP 163 Cb 0.52 -0.65 0.14 0.00 -0.02 0.00 0.00 41.12 41.11 3fa4 n ASP 163 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3fa4 h SER 164 N 3.24 0.00 -0.47 -2.24 4.64 -1.93 -3.35 113.55 113.44 3fa4 h SER 164 Ca 0.02 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3fa4 h SER 164 Cb 1.84 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.83 3fa4 h SER 164 CO 0.43 0.01 -0.27 0.25 -0.87 0.00 0.00 176.83 176.38 3fa4 h LEU 165 N 0.00 -0.90 -1.00 5.97 5.85 -1.84 0.57 115.31 123.96 3fa4 h LEU 165 Ca 0.00 0.19 0.13 0.00 0.84 0.00 0.00 57.88 59.04 3fa4 h LEU 165 Cb 0.96 0.46 -0.09 0.00 0.37 0.00 0.00 40.66 42.37 3fa4 h LEU 165 CO 0.00 -0.28 0.62 1.56 -0.34 0.00 0.00 178.44 180.01 3fa4 h GLN 166 N -0.16 0.93 0.00 1.25 4.20 -1.86 -2.89 115.11 116.58 3fa4 h GLN 166 Ca 0.21 -0.06 -0.36 0.00 0.06 0.00 0.00 58.65 58.50 3fa4 h GLN 166 Cb 0.50 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 3fa4 h GLN 166 CO -0.57 0.62 -2.01 0.25 -0.67 0.00 0.00 178.83 176.45 3fa4 n THR 167 N -4.64 1.53 -0.48 -0.54 -2.24 -0.74 -4.73 114.28 102.44 3fa4 n THR 167 Ca 0.19 -0.23 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3fa4 n THR 167 Cb 0.38 -1.96 0.25 0.00 -2.10 0.00 0.00 70.33 66.90 3fa4 n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fa4 n HIS 168 N -4.33 0.88 -0.51 4.78 8.25 0.19 -5.09 115.22 119.40 3fa4 n HIS 168 Ca -0.45 -0.60 0.07 0.00 -0.26 0.00 0.00 57.72 56.47 3fa4 n HIS 168 Cb 0.80 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 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 0.60 -2.21 0.20 -1.41 0.00 -1.09 -3.80 105.19 97.48 3fa4 n GLY 169 Ca 0.19 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.49 0.44 -0.41 1.61 3.20 -1.89 -2.94 116.97 116.50 3fa4 h TYR 170 Ca -0.03 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3fa4 h TYR 170 Cb 0.48 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 3fa4 h TYR 170 CO 0.00 0.21 0.09 0.93 -1.64 0.00 0.00 178.16 177.76 3fa4 h GLU 171 N 0.47 0.22 0.26 1.82 4.39 -1.99 -2.21 114.58 117.55 3fa4 h GLU 171 Ca 0.22 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.91 3fa4 h GLU 171 Cb 0.13 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3fa4 h GLU 171 CO -0.16 0.15 -0.33 1.49 -1.16 0.00 0.00 179.01 179.00 3fa4 h GLU 172 N 0.23 -0.62 -0.66 2.33 4.57 -1.63 -1.66 114.58 117.13 3fa4 h GLU 172 Ca 0.20 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.49 3fa4 h GLU 172 Cb 0.23 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.87 3fa4 h GLU 172 CO -0.25 -0.42 -0.36 0.43 -1.18 0.00 0.00 179.01 177.24 3fa4 n SER 173 N -5.44 -0.63 0.14 1.04 7.64 -1.03 -0.88 113.62 114.46 3fa4 n SER 173 Ca -0.09 1.17 -0.01 0.00 1.01 0.00 0.00 58.87 60.96 3fa4 n SER 173 Cb 0.34 -0.18 0.21 0.00 -1.01 0.00 0.00 64.21 63.57 3fa4 n SER 173 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3fa4 h VAL 174 N 0.00 1.39 0.42 0.44 2.07 -1.31 -2.25 116.25 117.02 3fa4 h VAL 174 Ca 0.14 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 3fa4 h VAL 174 Cb 0.30 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3fa4 h VAL 174 CO -0.63 0.54 -0.42 0.00 0.02 0.00 0.00 177.57 177.08 3fa4 h ALA 175 N 1.41 -0.93 -0.25 1.67 0.00 -0.02 -0.36 119.26 120.78 3fa4 h ALA 175 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fa4 h ALA 175 Cb 0.99 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3fa4 h ALA 175 CO 0.07 -1.06 0.17 0.00 0.00 0.00 0.00 179.25 178.43 3fa4 h ARG 176 N -0.86 0.21 0.15 0.00 3.08 -0.92 0.61 114.38 116.66 3fa4 h ARG 176 Ca -0.04 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 3fa4 h ARG 176 Cb 0.76 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.79 3fa4 h ARG 176 CO -0.06 0.14 -0.86 -0.07 -1.07 0.00 0.00 179.97 178.04 3fa4 h LEU 177 N 0.22 0.50 -0.43 3.04 3.38 -1.36 -1.26 115.31 119.40 3fa4 h LEU 177 Ca 0.10 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.18 3fa4 h LEU 177 Cb 0.15 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3fa4 h LEU 177 CO -0.02 1.42 0.13 0.03 0.09 0.00 0.00 178.44 180.09 3fa4 h ARG 178 N -0.32 0.28 -0.11 1.13 3.08 -0.56 0.33 114.38 118.20 3fa4 h ARG 178 Ca -0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3fa4 h ARG 178 Cb 1.68 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 3fa4 h ARG 178 CO 0.16 0.18 -0.07 0.00 -1.07 0.00 0.00 179.97 179.18 3fa4 h ALA 179 N 1.29 1.68 0.04 0.04 0.00 -0.93 0.67 119.26 122.06 3fa4 h ALA 179 Ca 0.20 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3fa4 h ALA 179 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fa4 h ALA 179 CO -0.22 0.24 -1.02 0.00 0.00 0.00 0.00 179.25 178.25 3fa4 h ALA 180 N 1.78 0.35 -0.44 0.00 0.00 -0.71 -2.42 119.26 117.81 3fa4 h ALA 180 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 3fa4 h ALA 180 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3fa4 h ALA 180 CO 0.01 1.00 0.23 -0.09 0.00 0.00 0.00 179.25 180.40 3fa4 h ARG 181 N 0.08 0.63 -0.20 0.00 2.43 0.34 -2.13 114.38 115.53 3fa4 h ARG 181 Ca -0.07 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3fa4 h ARG 181 Cb 1.71 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 3fa4 h ARG 181 CO 0.16 0.51 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.60 3fa4 h ASP 182 N 0.58 0.29 0.46 -3.80 3.32 -0.92 -2.81 116.42 113.54 3fa4 h ASP 182 Ca 0.15 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3fa4 h ASP 182 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fa4 h ASP 182 CO -0.02 0.41 -0.06 0.00 -1.72 0.00 0.00 179.24 177.85 3fa4 n ALA 183 N -2.49 2.64 0.00 3.45 0.00 -0.91 -4.90 120.51 118.30 3fa4 n ALA 183 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3fa4 n ALA 183 Cb 0.25 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.28 1.56 3.80 0.00 0.00 -1.05 -4.51 105.19 106.26 3fa4 n GLY 184 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 2.95 -0.10 4.61 0.00 -0.83 -4.92 121.76 121.47 3fa4 s ALA 185 Ca 0.00 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.75 3fa4 s ALA 185 Cb 0.00 -3.24 -0.26 0.00 0.00 0.00 0.00 23.12 19.62 3fa4 s ALA 185 CO 0.00 -0.20 0.47 -0.25 0.00 0.00 0.00 175.76 175.78 3fa4 n ASP 186 N -0.69 0.17 -4.04 0.00 8.00 0.61 -4.68 116.55 115.92 3fa4 n ASP 186 Ca 0.08 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.47 3fa4 n ASP 186 Cb 0.52 1.42 -0.14 0.00 -0.02 0.00 0.00 41.12 42.90 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 -3.19 0.72 0.09 2.53 1.01 -1.12 -4.32 120.40 116.13 3fa4 s VAL 187 Ca -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3fa4 s VAL 187 Cb 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 3fa4 s VAL 187 CO 0.87 0.10 0.32 -0.83 0.00 0.00 0.00 175.10 175.56 3fa4 s GLY 188 N -0.50 2.24 -0.35 4.51 0.00 0.21 -1.47 107.32 111.96 3fa4 s GLY 188 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3fa4 s GLY 188 CO 0.00 -0.51 0.27 -0.12 0.00 0.00 0.00 173.10 172.75 3fa4 s PHE 189 N -1.54 0.20 -0.35 1.90 5.99 0.16 -0.40 117.98 123.95 3fa4 s PHE 189 Ca 0.36 -1.15 -0.27 0.00 0.00 0.00 0.00 56.93 55.88 3fa4 s PHE 189 Cb -0.13 -0.68 0.02 0.00 0.00 0.00 0.00 43.02 42.23 3fa4 s PHE 189 CO 0.23 -0.89 1.00 -1.17 -0.00 0.00 0.00 175.22 174.39 3fa4 s LEU 190 N 1.39 3.95 -0.16 6.12 0.20 -1.26 -1.33 118.68 127.58 3fa4 s LEU 190 Ca 0.16 0.79 -0.26 0.00 0.69 0.00 0.00 54.13 55.51 3fa4 s LEU 190 Cb -0.19 -3.39 -0.01 0.00 -0.43 0.00 0.00 46.19 42.16 3fa4 s LEU 190 CO -0.06 -0.88 0.84 -0.70 -0.29 0.00 0.00 176.35 175.26 3fa4 s GLU 191 N 3.59 4.31 0.00 1.98 2.56 -0.83 -4.18 118.70 126.13 3fa4 s GLU 191 Ca 0.42 1.04 0.00 0.00 0.00 0.00 0.00 54.97 56.43 3fa4 s GLU 191 Cb -0.12 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.44 3fa4 s GLU 191 CO 0.18 -0.32 0.00 0.41 -0.56 0.00 0.00 175.26 174.96 3fa4 n GLY 192 N 3.43 1.10 3.64 -1.50 0.00 -1.26 -4.69 105.19 105.91 3fa4 n GLY 192 Ca 0.05 -0.48 -0.62 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.52 0.04 0.82 -0.61 5.41 -1.26 -4.60 119.36 116.63 3fa4 n ILE 193 Ca 0.00 -0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.86 3fa4 n ILE 193 Cb 0.27 -0.44 0.06 0.00 -0.71 0.00 0.00 39.64 38.83 3fa4 n ILE 193 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3fa4 n THR 194 N 3.06 0.07 -3.82 1.39 5.66 -1.26 -2.71 114.28 116.66 3fa4 n THR 194 Ca 0.25 -0.10 -0.06 0.00 -3.05 0.00 0.00 64.05 61.10 3fa4 n THR 194 Cb 0.03 0.42 -0.00 0.00 -1.55 0.00 0.00 70.33 69.23 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3fa4 s SER 195 N -3.39 -0.13 0.35 1.09 1.04 -1.26 -4.69 113.70 106.71 3fa4 s SER 195 Ca 0.07 -0.68 0.24 0.00 0.48 0.00 0.00 55.95 56.06 3fa4 s SER 195 Cb 0.16 0.64 0.47 0.00 0.10 0.00 0.00 66.02 67.39 3fa4 s SER 195 CO 0.78 -1.23 1.63 0.08 0.98 0.00 0.00 173.24 175.49 3fa4 h ARG 196 N 2.00 0.00 -0.01 4.02 0.11 -1.96 -2.96 114.38 115.58 3fa4 h ARG 196 Ca -0.25 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.65 3fa4 h ARG 196 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 3fa4 h ARG 196 CO 0.30 0.00 -0.81 0.93 0.10 0.00 0.00 179.97 180.49 3fa4 h GLU 197 N 0.00 0.18 0.36 0.08 3.07 -1.98 -0.50 114.58 115.79 3fa4 h GLU 197 Ca 0.00 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 3fa4 h GLU 197 Cb 0.91 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3fa4 h GLU 197 CO 0.00 0.89 -0.17 1.98 -1.40 0.00 0.00 179.01 180.31 3fa4 h MET 198 N 0.11 -0.46 -0.80 2.33 4.05 -1.96 -2.72 114.93 115.47 3fa4 h MET 198 Ca -0.03 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.55 3fa4 h MET 198 Cb 1.40 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 32.25 3fa4 h MET 198 CO 0.12 -0.18 0.53 0.00 0.23 0.00 0.00 176.91 177.61 3fa4 h ALA 199 N -0.19 1.90 0.00 0.39 0.00 -1.49 0.74 119.26 120.61 3fa4 h ALA 199 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fa4 h ALA 199 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fa4 h ALA 199 CO 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3fa4 h ARG 200 N 0.61 0.00 0.00 0.00 3.08 -1.08 -3.27 114.38 113.72 3fa4 h ARG 200 Ca 0.39 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 60.04 3fa4 h ARG 200 Cb 0.66 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 3fa4 h ARG 200 CO -0.15 0.00 -2.48 0.94 -1.07 0.00 0.00 179.97 177.21 3fa4 n GLN 201 N -3.02 0.63 0.28 0.04 -0.06 -0.19 -3.47 117.38 111.59 3fa4 n GLN 201 Ca 0.02 0.17 0.15 0.00 -2.00 0.00 0.00 57.00 55.34 3fa4 n GLN 201 Cb 0.38 -1.50 0.80 0.00 -4.06 0.00 0.00 30.24 25.86 3fa4 n GLN 201 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3fa4 h VAL 202 N -0.22 0.42 0.04 1.69 2.07 -1.08 0.47 116.25 119.64 3fa4 h VAL 202 Ca -0.60 -0.43 -0.23 0.00 0.82 0.00 0.00 66.70 66.26 3fa4 h VAL 202 Cb 1.82 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 3fa4 h VAL 202 CO -0.16 0.08 -1.02 0.40 0.02 0.00 0.00 177.57 176.88 3fa4 h ILE 203 N 0.00 1.52 0.14 4.57 2.04 -1.69 -1.78 117.51 122.32 3fa4 h ILE 203 Ca -0.00 -2.88 -0.34 0.00 1.00 0.00 0.00 64.86 62.64 3fa4 h ILE 203 Cb 0.29 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3fa4 h ILE 203 CO 0.01 0.84 -1.76 -0.61 0.00 0.00 0.00 178.15 176.63 3fa4 h GLN 204 N 0.09 0.29 -0.88 2.37 4.15 -1.48 -2.85 115.11 116.80 3fa4 h GLN 204 Ca -0.07 -0.49 0.14 0.00 0.77 0.00 0.00 58.65 58.99 3fa4 h GLN 204 Cb 1.71 0.18 -0.09 0.00 0.21 0.00 0.00 27.48 29.49 3fa4 h GLN 204 CO 0.16 1.17 0.48 -0.44 -1.93 0.00 0.00 178.83 178.27 3fa4 h ASP 205 N 0.08 0.63 -1.67 -0.69 3.32 -0.17 -2.68 116.42 115.24 3fa4 h ASP 205 Ca -0.33 0.08 -0.69 0.00 0.02 0.00 0.00 57.03 56.10 3fa4 h ASP 205 Cb 2.05 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 41.24 3fa4 h ASP 205 CO 0.14 0.29 0.37 0.18 -1.72 0.00 0.00 179.24 178.50 3fa4 n LEU 206 N -4.81 6.52 -4.74 1.55 4.77 -0.67 -5.06 117.00 114.56 3fa4 n LEU 206 Ca 0.17 -4.89 -0.42 0.00 -0.03 0.00 0.00 56.01 50.84 3fa4 n LEU 206 Cb 0.41 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 3fa4 n LEU 206 CO 0.23 1.90 1.21 0.00 -1.33 0.00 0.00 177.39 179.40 3fa4 n ALA 207 N -0.57 2.41 -0.98 -1.18 0.00 -1.01 -2.72 120.51 116.45 3fa4 n ALA 207 Ca 0.50 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.31 3fa4 n ALA 207 Cb 0.46 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 1.94 0.56 2.98 0.00 0.00 -1.26 -5.03 105.19 104.38 3fa4 n GLY 208 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.35 1.82 0.39 1.61 -0.00 -1.10 -5.12 118.94 114.18 3fa4 s TRP 209 Ca 0.00 -0.94 -0.26 0.00 -0.00 0.00 0.00 56.10 54.90 3fa4 s TRP 209 Cb 0.00 -1.39 -0.11 0.00 -0.00 0.00 0.00 33.47 31.97 3fa4 s TRP 209 CO 0.00 -0.56 1.12 -2.30 -0.00 0.00 0.00 176.95 175.22 3fa4 n PRO 210 N 4.72 1.63 -4.45 5.86 -0.02 -1.26 -4.79 135.00 136.69 3fa4 n PRO 210 Ca -0.16 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.68 3fa4 n PRO 210 Cb 0.50 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 3fa4 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa4 s LEU 211 N -0.74 2.19 -0.13 2.45 1.43 -1.26 -0.62 118.68 121.99 3fa4 s LEU 211 Ca 0.60 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3fa4 s LEU 211 Cb -0.57 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3fa4 s LEU 211 CO 0.59 0.08 0.02 -0.22 0.23 0.00 0.00 176.35 177.05 3fa4 s LEU 212 N -1.25 3.66 -0.25 1.79 0.20 0.47 -1.40 118.68 121.88 3fa4 s LEU 212 Ca 0.04 0.10 -0.10 0.00 0.69 0.00 0.00 54.13 54.86 3fa4 s LEU 212 Cb -0.08 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 3fa4 s LEU 212 CO 0.02 0.29 0.16 -0.22 -0.29 0.00 0.00 176.35 176.31 3fa4 s LEU 213 N -0.31 4.02 -0.51 -0.68 2.96 -0.54 -4.34 118.68 119.28 3fa4 s LEU 213 Ca 0.07 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 3fa4 s LEU 213 Cb -0.12 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.53 3fa4 s LEU 213 CO 0.02 0.02 0.65 0.21 -1.32 0.00 0.00 176.35 175.92 3fa4 s ASN 214 N 1.35 6.23 -0.93 3.68 2.47 -1.26 -0.83 114.94 125.65 3fa4 s ASN 214 Ca 0.07 -0.90 -0.15 0.00 0.42 0.00 0.00 52.86 52.31 3fa4 s ASN 214 Cb -0.15 -2.30 0.20 0.00 -1.45 0.00 0.00 41.25 37.56 3fa4 s ASN 214 CO 0.07 -0.92 0.97 -0.04 -3.72 0.00 0.00 177.10 173.46 3fa4 s MET 215 N 2.71 3.73 -0.39 0.43 -1.94 -0.44 -4.94 119.30 118.47 3fa4 s MET 215 Ca 0.16 -2.40 -0.05 0.00 -1.71 0.00 0.00 55.69 51.70 3fa4 s MET 215 Cb -0.19 -4.63 0.09 0.00 2.01 0.00 0.00 34.83 32.11 3fa4 s MET 215 CO 0.12 -1.45 0.18 0.08 -0.01 0.00 0.00 175.02 173.94 3fa4 s VAL 216 N 0.74 3.52 0.59 -6.03 1.01 -1.26 -4.14 120.40 114.83 3fa4 s VAL 216 Ca 0.26 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 3fa4 s VAL 216 Cb -0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3fa4 s VAL 216 CO -0.08 -0.50 1.15 -0.62 0.00 0.00 0.00 175.10 175.05 3fa4 n GLU 217 N 4.70 1.18 -0.67 2.72 1.02 -1.26 -3.98 120.64 124.35 3fa4 n GLU 217 Ca -0.07 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3fa4 n GLU 217 Cb 0.42 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 3fa4 n GLU 217 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fa4 n HIS 218 N -1.53 0.00 -0.96 -0.32 8.25 -1.26 -5.04 115.22 114.36 3fa4 n HIS 218 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3fa4 n HIS 218 Cb 0.46 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -2.67 5.17 0.33 -1.41 0.00 -1.26 -5.07 105.19 100.29 3fa4 n GLY 219 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.58 -2.42 4.61 0.00 -1.89 -3.43 119.26 116.56 3fa4 h ALA 220 Ca 0.00 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.30 3fa4 h ALA 220 Cb 0.00 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fa4 h ALA 220 CO 0.00 -0.87 0.99 0.99 0.00 0.00 0.00 179.25 180.36 3fa4 s THR 221 N -6.02 3.19 0.81 0.00 2.01 -1.10 -4.65 115.64 109.87 3fa4 s THR 221 Ca -0.16 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.31 3fa4 s THR 221 Cb 0.07 -3.38 0.08 0.00 0.01 0.00 0.00 72.50 69.28 3fa4 s THR 221 CO 0.64 -0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.49 3fa4 s PRO 222 N 2.79 1.99 -0.34 4.92 0.04 -1.26 -4.57 135.00 138.57 3fa4 s PRO 222 Ca 0.73 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.41 3fa4 s PRO 222 Cb -0.38 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 3fa4 s PRO 222 CO 0.31 -1.76 1.71 -1.12 0.04 0.00 0.00 177.00 176.18 3fa4 s SER 223 N -3.55 6.02 -0.16 6.66 0.01 -1.26 -4.97 113.70 116.44 3fa4 s SER 223 Ca 0.61 1.22 0.00 0.00 1.31 0.00 0.00 55.95 59.10 3fa4 s SER 223 Cb -0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3fa4 s SER 223 CO 0.56 -1.62 -0.15 -0.63 0.41 0.00 0.00 173.24 171.81 3fa4 s ILE 224 N 6.46 2.64 0.99 1.44 1.01 -1.26 -5.13 121.20 127.35 3fa4 s ILE 224 Ca 0.76 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3fa4 s ILE 224 Cb -0.21 -2.12 0.19 0.00 0.01 0.00 0.00 42.46 40.33 3fa4 s ILE 224 CO 0.33 0.51 1.10 -0.94 0.00 0.00 0.00 174.94 175.95 3fa4 s SER 225 N 0.91 2.69 0.21 3.58 1.04 -1.26 -4.77 113.70 116.09 3fa4 s SER 225 Ca -0.03 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.43 3fa4 s SER 225 Cb -0.15 -1.79 0.17 0.00 0.10 0.00 0.00 66.02 64.35 3fa4 s SER 225 CO -0.02 -3.09 1.87 0.00 0.98 0.00 0.00 173.24 172.98 3fa4 h ALA 226 N -1.86 0.94 -0.43 5.32 0.00 -2.00 -0.66 119.26 120.57 3fa4 h ALA 226 Ca -0.54 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 3fa4 h ALA 226 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3fa4 h ALA 226 CO 0.58 0.30 0.06 0.00 0.00 0.00 0.00 179.25 180.19 3fa4 h ALA 227 N 1.29 0.58 0.18 0.00 0.00 -2.00 -2.76 119.26 116.54 3fa4 h ALA 227 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fa4 h ALA 227 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3fa4 h ALA 227 CO -0.08 0.31 -0.09 1.49 0.00 0.00 0.00 179.25 180.88 3fa4 h GLU 228 N 0.58 -0.23 -1.07 0.00 4.81 -1.89 -2.47 114.58 114.32 3fa4 h GLU 228 Ca 0.13 0.02 0.28 0.00 -0.13 0.00 0.00 59.36 59.66 3fa4 h GLU 228 Cb 0.39 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 3fa4 h GLU 228 CO 0.01 -0.02 0.70 0.00 -0.73 0.00 0.00 179.01 178.97 3fa4 h ALA 229 N 0.38 2.36 0.02 2.92 0.00 -1.15 0.15 119.26 123.95 3fa4 h ALA 229 Ca -0.02 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3fa4 h ALA 229 Cb 0.32 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fa4 h ALA 229 CO 0.04 -0.77 -0.84 -0.22 0.00 0.00 0.00 179.25 177.46 3fa4 h LYS 230 N 0.33 0.52 -0.83 0.00 3.64 -1.32 -2.18 116.57 116.72 3fa4 h LYS 230 Ca 0.60 -0.60 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3fa4 h LYS 230 Cb 1.65 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 33.59 3fa4 h LYS 230 CO -0.27 1.22 0.52 1.49 -2.27 0.00 0.00 179.45 180.14 3fa4 h GLU 231 N 0.08 0.93 -0.56 1.90 4.81 -0.88 -3.19 114.58 117.67 3fa4 h GLU 231 Ca -0.11 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3fa4 h GLU 231 Cb 1.53 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3fa4 h GLU 231 CO 0.16 0.62 0.09 0.52 -0.73 0.00 0.00 179.01 179.67 3fa4 h MET 232 N 0.96 0.89 0.00 1.92 2.86 -0.65 -3.47 114.93 117.44 3fa4 h MET 232 Ca 0.36 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3fa4 h MET 232 Cb 0.13 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3fa4 h MET 232 CO -0.16 0.83 0.00 0.41 1.06 0.00 0.00 176.91 179.05 3fa4 n GLY 233 N -0.73 1.42 3.44 8.32 0.00 -1.11 -4.90 105.19 111.64 3fa4 n GLY 233 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.94 0.35 1.61 3.01 -0.84 -4.81 117.46 115.84 3fa4 n PHE 234 Ca 0.00 0.40 0.07 0.00 1.01 0.00 0.00 57.45 58.94 3fa4 n PHE 234 Cb 0.00 -1.92 -0.10 0.00 -0.01 0.00 0.00 39.48 37.45 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 -0.13 1.23 -3.82 -1.08 5.12 -0.50 -4.59 116.66 112.90 3fa4 n ARG 235 Ca 0.11 -0.07 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 3fa4 n ARG 235 Cb 0.48 -1.29 -0.14 0.00 -1.16 0.00 0.00 32.46 30.35 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 -2.76 -0.02 -0.07 0.55 1.01 -1.15 -1.27 121.20 117.50 3fa4 s ILE 236 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.76 3fa4 s ILE 236 Cb 0.11 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.45 3fa4 s ILE 236 CO 0.63 0.03 -0.20 -0.51 0.00 0.00 0.00 174.94 174.89 3fa4 s ILE 237 N 0.39 1.70 0.09 2.92 2.07 -0.70 -1.46 121.20 126.21 3fa4 s ILE 237 Ca -0.03 -0.84 0.06 0.00 -1.41 0.00 0.00 60.65 58.44 3fa4 s ILE 237 Cb -0.04 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.04 3fa4 s ILE 237 CO -0.01 0.48 -0.10 0.27 -1.91 0.00 0.00 174.94 173.67 3fa4 s ILE 238 N 0.18 3.40 -0.63 2.00 -4.36 -0.01 -1.32 121.20 120.46 3fa4 s ILE 238 Ca -0.10 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 3fa4 s ILE 238 Cb -0.14 -2.57 0.19 0.00 1.25 0.00 0.00 42.46 41.18 3fa4 s ILE 238 CO 0.05 0.16 0.52 0.49 0.24 0.00 0.00 174.94 176.39 3fa4 n PHE 239 N 0.85 2.40 0.25 1.37 3.01 -0.28 -1.33 117.46 123.74 3fa4 n PHE 239 Ca -0.14 -4.07 0.17 0.00 1.01 0.00 0.00 57.45 54.43 3fa4 n PHE 239 Cb 0.52 -0.44 0.82 0.00 -0.01 0.00 0.00 39.48 40.37 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 5.14 0.00 -0.00 -1.08 0.11 -1.85 0.27 132.00 134.59 3fa4 h PRO 240 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3fa4 h PRO 240 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3fa4 h PRO 240 CO 0.66 0.00 -0.24 0.34 -0.21 0.00 0.00 178.00 178.56 3fa4 n PHE 241 N -3.22 0.00 -0.37 0.65 -0.00 -1.26 -4.60 117.46 108.66 3fa4 n PHE 241 Ca 0.01 0.00 0.33 0.00 -0.00 0.00 0.00 57.45 57.79 3fa4 n PHE 241 Cb 0.43 0.00 0.57 0.00 -0.00 0.00 0.00 39.48 40.48 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3fa4 n ALA 242 N -0.54 1.10 -0.12 3.13 0.00 -0.89 -2.61 120.51 120.58 3fa4 n ALA 242 Ca 0.03 0.83 -0.17 0.00 0.00 0.00 0.00 53.44 54.12 3fa4 n ALA 242 Cb 0.17 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.46 1.46 -0.22 0.00 0.00 -1.24 -4.61 120.51 113.44 3fa4 n ALA 243 Ca 0.35 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.65 3fa4 n ALA 243 Cb 1.30 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 20.71 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 -0.02 1.06 0.46 0.00 3.38 -1.79 -0.02 115.31 118.38 3fa4 h LEU 244 Ca -0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 3fa4 h LEU 244 Cb 1.85 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3fa4 h LEU 244 CO -0.09 1.08 -0.22 1.23 0.09 0.00 0.00 178.44 180.52 3fa4 h GLY 245 N 1.00 -0.65 -0.26 0.83 0.00 -1.83 -1.78 103.07 100.38 3fa4 h GLY 245 Ca 0.19 0.24 0.20 0.00 0.00 0.00 0.00 47.33 47.96 3fa4 h GLY 245 CO 0.02 -0.24 0.25 -2.55 0.00 0.00 0.00 176.54 174.02 3fa4 h PRO 246 N -0.71 0.27 -0.27 4.80 0.11 -1.80 -2.10 132.00 132.30 3fa4 h PRO 246 Ca -0.06 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.06 3fa4 h PRO 246 Cb 0.48 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3fa4 h PRO 246 CO 0.10 0.18 0.10 0.00 -0.21 0.00 0.00 178.00 178.17 3fa4 h ALA 247 N 1.70 0.31 -0.04 -0.75 0.00 -1.05 -3.01 119.26 116.42 3fa4 h ALA 247 Ca 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 3fa4 h ALA 247 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fa4 h ALA 247 CO -0.58 -0.31 -0.09 0.28 0.00 0.00 0.00 179.25 178.56 3fa4 h VAL 248 N 0.23 1.43 0.13 0.00 2.07 -0.64 -2.83 116.25 116.63 3fa4 h VAL 248 Ca 0.12 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.23 3fa4 h VAL 248 Cb 0.07 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3fa4 h VAL 248 CO -0.11 0.39 -0.19 0.00 0.02 0.00 0.00 177.57 177.68 3fa4 h ALA 249 N 0.46 -0.33 -0.87 1.67 0.00 -1.61 -0.51 119.26 118.08 3fa4 h ALA 249 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fa4 h ALA 249 Cb 0.67 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3fa4 h ALA 249 CO 0.02 -0.72 0.53 0.00 0.00 0.00 0.00 179.25 179.08 3fa4 h ALA 250 N 0.44 1.11 -0.59 0.00 0.00 -1.64 -1.18 119.26 117.39 3fa4 h ALA 250 Ca 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3fa4 h ALA 250 Cb 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fa4 h ALA 250 CO -0.09 0.56 0.00 0.52 0.00 0.00 0.00 179.25 180.24 3fa4 h MET 251 N 1.19 1.02 0.31 0.00 2.86 -1.41 -1.31 114.93 117.59 3fa4 h MET 251 Ca 0.31 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fa4 h MET 251 Cb -0.07 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 3fa4 h MET 251 CO -0.06 1.00 -0.29 -0.09 1.06 0.00 0.00 176.91 178.53 3fa4 h ARG 252 N 0.94 -0.60 -0.99 1.72 9.65 -0.85 0.29 114.38 124.55 3fa4 h ARG 252 Ca 0.17 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.17 3fa4 h ARG 252 Cb 0.54 0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.18 3fa4 h ARG 252 CO 0.03 -0.40 0.63 1.05 2.80 0.00 0.00 179.97 184.08 3fa4 h GLU 253 N -0.62 1.09 -0.28 0.20 4.11 -1.23 0.94 114.58 118.78 3fa4 h GLU 253 Ca -0.02 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 59.21 3fa4 h GLU 253 Cb 0.56 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3fa4 h GLU 253 CO -0.04 0.72 -0.39 0.00 0.07 0.00 0.00 179.01 179.36 3fa4 h ALA 254 N 1.46 0.79 -0.12 1.06 0.00 -1.11 -1.76 119.26 119.59 3fa4 h ALA 254 Ca 0.44 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3fa4 h ALA 254 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fa4 h ALA 254 CO -0.19 0.65 -0.73 0.52 0.00 0.00 0.00 179.25 179.50 3fa4 h MET 255 N 0.54 0.56 -0.45 0.00 2.86 -0.68 -1.22 114.93 116.53 3fa4 h MET 255 Ca 0.05 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.17 3fa4 h MET 255 Cb 0.91 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3fa4 h MET 255 CO 0.08 1.07 -0.01 0.93 1.06 0.00 0.00 176.91 180.05 3fa4 h GLU 256 N 0.39 0.75 -0.08 1.72 5.08 -0.79 -2.07 114.58 119.58 3fa4 h GLU 256 Ca -0.04 -0.20 -0.20 0.00 -1.00 0.00 0.00 59.36 57.92 3fa4 h GLU 256 Cb 1.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3fa4 h GLU 256 CO 0.14 0.76 -0.80 -0.22 -1.00 0.00 0.00 179.01 177.89 3fa4 h LYS 257 N 0.70 0.51 -0.47 2.33 3.64 -1.17 -1.78 116.57 120.32 3fa4 h LYS 257 Ca 0.14 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 3fa4 h LYS 257 Cb 0.44 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3fa4 h LYS 257 CO 0.02 1.08 -0.02 1.25 -2.27 0.00 0.00 179.45 179.51 3fa4 h LEU 258 N 0.33 0.83 -0.47 5.20 5.85 -1.24 -1.21 115.31 124.60 3fa4 h LEU 258 Ca -0.05 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.37 3fa4 h LEU 258 Cb 1.40 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3fa4 h LEU 258 CO 0.14 0.95 0.29 0.50 -0.34 0.00 0.00 178.44 179.98 3fa4 h LYS 259 N 0.69 0.57 0.29 1.25 1.63 -1.33 0.28 116.57 119.95 3fa4 h LYS 259 Ca 0.13 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3fa4 h LYS 259 Cb 0.53 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3fa4 h LYS 259 CO 0.03 0.37 -0.14 0.00 -3.45 0.00 0.00 179.45 176.26 3fa4 h ARG 260 N 0.58 -0.38 0.00 1.90 3.08 -1.31 -3.38 114.38 114.87 3fa4 h ARG 260 Ca 0.19 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3fa4 h ARG 260 Cb -0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3fa4 h ARG 260 CO -0.08 -0.05 -0.91 -0.25 -1.07 0.00 0.00 179.97 177.61 3fa4 n ASP 261 N -5.10 0.64 0.00 7.04 10.43 -0.46 -4.97 116.55 124.13 3fa4 n ASP 261 Ca -0.09 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.21 3fa4 n ASP 261 Cb 0.26 0.59 0.00 0.00 1.84 0.00 0.00 41.12 43.81 3fa4 n ASP 261 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fa4 n GLY 262 N 1.34 0.49 3.41 0.44 0.00 0.97 -5.00 105.19 106.84 3fa4 n GLY 262 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.98 -0.00 0.29 -0.61 2.07 -1.25 -5.06 121.20 114.65 3fa4 s ILE 263 Ca 0.00 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.23 3fa4 s ILE 263 Cb 0.00 -0.73 0.27 0.00 0.13 0.00 0.00 42.46 42.13 3fa4 s ILE 263 CO 0.00 0.00 1.93 -0.65 -1.91 0.00 0.00 174.94 174.32 3fa4 h PRO 264 N 5.60 1.12 -4.90 3.50 0.11 -1.89 -3.38 132.00 132.15 3fa4 h PRO 264 Ca -0.29 -0.07 -0.31 0.00 0.11 0.00 0.00 66.00 65.44 3fa4 h PRO 264 Cb 1.18 -0.25 0.12 0.00 0.11 0.00 0.00 31.00 32.15 3fa4 h PRO 264 CO 0.19 0.74 -0.56 0.41 -0.21 0.00 0.00 178.00 178.57 3fa4 n GLY 265 N -1.39 -0.24 3.77 -0.55 0.00 -1.26 -4.68 105.19 100.83 3fa4 n GLY 265 Ca 0.12 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.98 3.37 0.58 0.99 1.43 -1.26 -5.00 118.68 112.80 3fa4 s LEU 266 Ca 0.40 2.00 -0.19 0.00 -1.03 0.00 0.00 54.13 55.30 3fa4 s LEU 266 Cb -0.17 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 3fa4 s LEU 266 CO 0.59 -1.67 1.22 -1.81 0.23 0.00 0.00 176.35 174.91 3fa4 s ASP 267 N -2.61 5.29 0.60 2.29 1.11 -1.26 -4.87 116.67 117.21 3fa4 s ASP 267 Ca 0.67 2.42 0.28 0.00 0.18 0.00 0.00 52.55 56.10 3fa4 s ASP 267 Cb -0.20 -2.60 1.44 0.00 1.07 0.00 0.00 42.92 42.62 3fa4 s ASP 267 CO 0.42 -1.53 1.84 0.07 1.18 0.00 0.00 175.17 177.16 3fa4 h LYS 268 N 1.06 0.00 0.00 8.23 2.10 -2.06 0.39 116.57 126.28 3fa4 h LYS 268 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3fa4 h LYS 268 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3fa4 h LYS 268 CO 0.56 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 179.50 3fa4 h GLU 269 N 0.00 0.00 -4.25 0.07 4.57 -2.04 -3.41 114.58 109.53 3fa4 h GLU 269 Ca 0.21 0.00 -0.75 0.00 -1.18 0.00 0.00 59.36 57.64 3fa4 h GLU 269 Cb 1.26 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.62 3fa4 h GLU 269 CO -0.00 0.00 0.18 -1.64 -1.18 0.00 0.00 179.01 176.36 3fa4 s MET 270 N -3.56 3.39 -0.00 1.92 -1.94 0.12 -4.78 119.30 114.45 3fa4 s MET 270 Ca 0.02 -1.99 -0.02 0.00 -1.71 0.00 0.00 55.69 51.99 3fa4 s MET 270 Cb 0.09 -4.46 -0.00 0.00 2.01 0.00 0.00 34.83 32.47 3fa4 s MET 270 CO 0.52 -1.43 0.03 0.95 -0.01 0.00 0.00 175.02 175.08 3fa4 s THR 271 N 1.33 0.04 0.33 2.05 -4.23 -1.26 -4.84 115.64 109.06 3fa4 s THR 271 Ca 0.17 -0.33 0.10 0.00 -1.18 0.00 0.00 61.69 60.45 3fa4 s THR 271 Cb -0.15 -0.16 0.39 0.00 1.34 0.00 0.00 72.50 73.92 3fa4 s THR 271 CO -0.04 -0.18 1.57 -0.65 -0.54 0.00 0.00 174.62 174.78 3fa4 h PRO 272 N 5.50 0.00 -0.43 3.99 0.11 -1.99 -0.36 132.00 138.83 3fa4 h PRO 272 Ca -0.27 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.87 3fa4 h PRO 272 Cb 1.21 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3fa4 h PRO 272 CO 0.46 0.00 0.21 1.96 -0.21 0.00 0.00 178.00 180.41 3fa4 h GLN 273 N 0.00 0.41 -0.44 1.05 7.50 -1.97 -0.43 115.11 121.23 3fa4 h GLN 273 Ca 0.70 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.90 3fa4 h GLN 273 Cb 1.65 -0.09 -0.06 0.00 0.05 0.00 0.00 27.48 29.03 3fa4 h GLN 273 CO -0.87 0.27 0.09 1.98 -1.50 0.00 0.00 178.83 178.80 3fa4 h MET 274 N 0.42 0.22 -0.11 1.46 1.85 -1.39 -2.18 114.93 115.19 3fa4 h MET 274 Ca 0.18 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.19 3fa4 h MET 274 Cb 0.10 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 3fa4 h MET 274 CO -0.13 0.15 -0.26 1.25 -0.40 0.00 0.00 176.91 177.52 3fa4 h LEU 275 N 0.23 0.20 -1.23 3.39 5.85 -0.89 -2.48 115.31 120.39 3fa4 h LEU 275 Ca 0.21 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3fa4 h LEU 275 Cb 0.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3fa4 h LEU 275 CO -0.27 0.47 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.84 3fa4 h PHE 276 N 0.19 0.32 0.16 1.25 0.05 -0.50 -2.38 116.94 116.02 3fa4 h PHE 276 Ca 0.03 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 3fa4 h PHE 276 Cb 0.56 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.43 3fa4 h PHE 276 CO 0.01 0.48 -0.08 0.00 -0.18 0.00 0.00 178.31 178.54 3fa4 h ARG 277 N 0.27 -0.21 -0.79 1.51 2.47 -1.08 -0.24 114.38 116.31 3fa4 h ARG 277 Ca 0.05 0.01 0.22 0.00 -1.26 0.00 0.00 59.98 59.00 3fa4 h ARG 277 Cb 0.50 0.05 -0.15 0.00 -1.65 0.00 0.00 29.97 28.72 3fa4 h ARG 277 CO 0.03 0.22 0.02 0.28 0.56 0.00 0.00 179.97 181.09 3fa4 n VAL 278 N -4.92 -0.33 -0.17 2.04 0.31 -0.96 -0.92 118.33 113.37 3fa4 n VAL 278 Ca -0.08 1.74 0.01 0.00 -0.01 0.00 0.00 64.34 66.00 3fa4 n VAL 278 Cb 0.26 -2.54 0.22 0.00 -0.91 0.00 0.00 33.84 30.87 3fa4 n VAL 278 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fa4 n GLY 280 N 0.21 -0.87 0.33 0.00 0.00 -0.10 -4.92 105.19 99.85 3fa4 n GLY 280 Ca 0.20 0.41 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.43 1.07 -1.91 0.99 5.85 -1.19 -3.12 115.31 115.57 3fa4 h LEU 281 Ca -0.61 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 57.88 3fa4 h LEU 281 Cb 1.33 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3fa4 h LEU 281 CO 0.47 1.02 -0.02 0.44 -0.34 0.00 0.00 178.44 180.01 3fa4 h ASP 282 N 1.08 0.00 0.02 1.25 3.32 -1.87 -0.54 116.42 119.69 3fa4 h ASP 282 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3fa4 h ASP 282 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3fa4 h ASP 282 CO 0.00 0.02 -1.85 -1.84 -1.72 0.00 0.00 179.24 173.86 3fa4 n GLU 283 N -3.16 0.57 0.04 3.56 0.28 -1.24 -2.90 120.64 117.80 3fa4 n GLU 283 Ca -0.01 -0.17 -0.10 0.00 -0.16 0.00 0.00 57.16 56.72 3fa4 n GLU 283 Cb 0.24 -1.52 0.02 0.00 1.43 0.00 0.00 31.44 31.61 3fa4 n GLU 283 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3fa4 h SER 284 N 0.00 0.53 -0.52 -1.84 0.02 -1.41 -3.06 113.55 107.27 3fa4 h SER 284 Ca 0.00 -0.34 -0.06 0.00 -0.84 0.00 0.00 61.79 60.55 3fa4 h SER 284 Cb 0.94 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3fa4 h SER 284 CO 0.00 1.08 0.09 -0.03 -1.14 0.00 0.00 176.83 176.83 3fa4 h MET 285 N 0.31 0.85 0.00 3.45 -1.53 -1.21 -2.38 114.93 114.42 3fa4 h MET 285 Ca -0.03 -0.22 -0.08 0.00 -3.44 0.00 0.00 59.70 55.93 3fa4 h MET 285 Cb 1.29 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 32.23 3fa4 h MET 285 CO 0.13 0.83 -0.39 1.57 0.14 0.00 0.00 176.91 179.19 3fa4 h LYS 286 N 0.74 0.00 0.09 0.39 2.10 -1.62 -1.60 116.57 116.67 3fa4 h LYS 286 Ca 0.16 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.55 3fa4 h LYS 286 Cb 0.39 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.72 3fa4 h LYS 286 CO 0.01 0.37 -1.15 -0.39 -2.00 0.00 0.00 179.45 176.29 3fa4 h VAL 287 N 0.00 1.44 0.00 0.07 -1.51 -1.54 -2.83 116.25 111.89 3fa4 h VAL 287 Ca -0.01 -2.80 -0.09 0.00 -1.23 0.00 0.00 66.70 62.57 3fa4 h VAL 287 Cb 1.29 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 33.20 3fa4 h VAL 287 CO 0.05 0.83 -0.42 -0.78 -1.23 0.00 0.00 177.57 176.02 3fa4 h ASP 288 N 0.14 0.00 0.01 4.19 1.82 -1.50 -2.97 116.42 118.11 3fa4 h ASP 288 Ca -0.12 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.40 3fa4 h ASP 288 Cb 1.84 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.84 3fa4 h ASP 288 CO 0.20 0.42 -0.36 0.00 -1.61 0.00 0.00 179.24 177.89 3fa4 h ALA 289 N 1.58 0.98 0.05 -0.78 0.00 -1.19 -3.04 119.26 116.85 3fa4 h ALA 289 Ca -0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 3fa4 h ALA 289 Cb 0.80 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.49 3fa4 h ALA 289 CO 0.05 0.61 -1.09 1.96 0.00 0.00 0.00 179.25 180.78 3fa4 h GLN 290 N 0.40 0.56 -0.72 0.00 4.20 -1.50 -3.27 115.11 114.79 3fa4 h GLN 290 Ca 0.04 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 58.04 3fa4 h GLN 290 Cb 0.81 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 3fa4 h GLN 290 CO 0.07 1.27 0.29 0.00 -0.67 0.00 0.00 178.83 179.79 3fa4 h ALA 291 N 0.48 0.93 0.00 3.87 0.00 -1.59 -3.52 119.26 119.44 3fa4 h ALA 291 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fa4 h ALA 291 Cb 1.75 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3fa4 h ALA 291 CO 0.20 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.41