#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5s n ASP 6 N 0.00 2.46 -0.34 1.69 5.75 -1.26 -4.38 116.55 120.47 3f5s n ASP 6 Ca 0.00 -2.97 0.20 0.00 -0.01 0.00 0.00 54.79 52.01 3f5s n ASP 6 Cb 0.00 -0.40 0.43 0.00 -1.03 0.00 0.00 41.12 40.12 3f5s n ASP 6 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3f5s h LEU 7 N 0.18 0.60 -3.18 -2.12 5.85 -1.96 -2.30 115.31 112.38 3f5s h LEU 7 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3f5s h LEU 7 Cb 0.99 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3f5s h LEU 7 CO 0.02 -0.01 -0.00 0.18 -0.34 0.00 0.00 178.44 178.29 3f5s n LEU 8 N -4.96 3.44 -4.63 2.25 4.77 0.02 -4.68 117.00 113.21 3f5s n LEU 8 Ca 0.29 -3.06 -0.44 0.00 -0.03 0.00 0.00 56.01 52.77 3f5s n LEU 8 Cb 0.86 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3f5s n LEU 8 CO 0.13 0.70 0.71 0.59 -1.33 0.00 0.00 177.39 178.19 3f5s n ASN 9 N -0.80 1.87 -3.02 -1.43 3.02 -0.87 -1.98 115.26 112.06 3f5s n ASN 9 Ca 0.20 1.19 -0.22 0.00 -0.03 0.00 0.00 54.58 55.72 3f5s n ASN 9 Cb 0.82 -1.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.65 3f5s n ASN 9 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3f5s n ASP 10 N 1.12 -5.30 -4.31 6.41 2.03 -1.26 -4.95 116.55 110.30 3f5s n ASP 10 Ca 0.08 -0.25 -0.32 0.00 0.52 0.00 0.00 54.79 54.82 3f5s n ASP 10 Cb 0.33 -4.32 -0.16 0.00 -0.72 0.00 0.00 41.12 36.25 3f5s n ASP 10 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3f5s s ARG 11 N -5.68 2.75 -0.26 -0.67 1.81 -0.84 -5.03 118.95 111.03 3f5s s ARG 11 Ca 0.28 -0.84 -0.07 0.00 -1.72 0.00 0.00 55.73 53.38 3f5s s ARG 11 Cb -0.13 -2.29 -0.02 0.00 -0.45 0.00 0.00 34.95 32.06 3f5s s ARG 11 CO 0.35 0.36 0.07 0.42 -0.68 0.00 0.00 175.30 175.82 3f5s s ILE 12 N -0.10 4.26 -0.08 1.52 1.01 -1.26 -0.69 121.20 125.86 3f5s s ILE 12 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3f5s s ILE 12 Cb -0.14 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.33 3f5s s ILE 12 CO 0.04 0.30 -0.10 -0.63 0.00 0.00 0.00 174.94 174.56 3f5s s ILE 13 N 1.60 1.04 -0.16 2.92 1.01 -0.20 -0.24 121.20 127.17 3f5s s ILE 13 Ca 0.06 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3f5s s ILE 13 Cb -0.15 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 3f5s s ILE 13 CO 0.03 0.34 0.17 -0.22 0.00 0.00 0.00 174.94 175.26 3f5s s LEU 14 N 1.00 4.28 -0.16 2.97 0.20 -0.40 -0.98 118.68 125.59 3f5s s LEU 14 Ca -0.09 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.11 3f5s s LEU 14 Cb -0.15 -2.14 0.02 0.00 -0.43 0.00 0.00 46.19 43.49 3f5s s LEU 14 CO -0.00 0.25 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.46 3f5s s VAL 15 N -0.13 1.76 0.47 1.68 1.01 0.01 -0.53 120.40 124.67 3f5s s VAL 15 Ca 0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3f5s s VAL 15 Cb -0.12 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3f5s s VAL 15 CO 0.01 0.47 0.75 0.42 0.00 0.00 0.00 175.10 176.76 3f5s s THR 16 N 1.41 4.67 -1.45 3.92 -4.23 -0.39 -1.18 115.64 118.40 3f5s s THR 16 Ca 0.05 -0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 3f5s s THR 16 Cb -0.13 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.99 3f5s s THR 16 CO -0.11 -0.70 1.09 0.61 -0.54 0.00 0.00 174.62 174.97 3f5s n GLY 17 N -2.21 -0.52 0.00 3.99 0.00 -0.91 -3.46 105.19 102.07 3f5s n GLY 17 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.35 3f5s n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5s n ALA 18 N -4.86 2.04 0.88 4.61 0.00 -0.90 -2.53 120.51 119.75 3f5s n ALA 18 Ca 0.03 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3f5s n ALA 18 Cb 0.54 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.71 3f5s n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3f5s n SER 19 N -1.37 0.70 -4.39 0.00 7.64 -1.26 -2.57 113.62 112.37 3f5s n SER 19 Ca 0.08 -0.51 -0.27 0.00 1.01 0.00 0.00 58.87 59.18 3f5s n SER 19 Cb 0.20 0.68 0.15 0.00 -1.01 0.00 0.00 64.21 64.22 3f5s n SER 19 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3f5s s ASP 20 N -3.24 3.70 0.08 6.43 -4.77 -1.05 -4.72 116.67 113.10 3f5s s ASP 20 Ca 0.08 -0.02 -0.32 0.00 -3.30 0.00 0.00 52.55 48.98 3f5s s ASP 20 Cb 0.16 -0.18 -0.16 0.00 -1.09 0.00 0.00 42.92 41.65 3f5s s ASP 20 CO 0.79 -2.32 1.61 1.23 0.70 0.00 0.00 175.17 177.18 3f5s h GLY 21 N -1.12 -0.92 1.07 2.12 0.00 -1.89 0.42 103.07 102.76 3f5s h GLY 21 Ca -0.41 0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3f5s h GLY 21 CO 0.39 -0.33 -0.16 -2.22 0.00 0.00 0.00 176.54 174.22 3f5s h ILE 22 N -0.84 1.27 -0.43 2.60 2.04 -1.95 -2.55 117.51 117.66 3f5s h ILE 22 Ca -0.06 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 3f5s h ILE 22 Cb 0.70 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3f5s h ILE 22 CO 0.03 0.45 0.21 1.23 0.00 0.00 0.00 178.15 180.08 3f5s h GLY 23 N 0.80 0.66 1.00 5.37 0.00 -1.68 0.80 103.07 110.02 3f5s h GLY 23 Ca 0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3f5s h GLY 23 CO 0.06 0.30 0.43 3.21 0.00 0.00 0.00 176.54 180.54 3f5s h ARG 24 N 0.55 0.96 -0.36 4.80 3.08 -0.63 -0.73 114.38 122.05 3f5s h ARG 24 Ca 0.15 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3f5s h ARG 24 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3f5s h ARG 24 CO -0.02 0.68 -0.21 1.49 -1.07 0.00 0.00 179.97 180.84 3f5s h GLU 25 N 0.97 0.77 -0.39 0.04 4.57 -1.02 -1.36 114.58 118.15 3f5s h GLU 25 Ca 0.26 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3f5s h GLU 25 Cb -0.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3f5s h GLU 25 CO -0.05 0.97 0.19 0.00 -1.18 0.00 0.00 179.01 178.95 3f5s h ALA 26 N 0.78 0.51 -0.53 2.92 0.00 -0.68 0.97 119.26 123.23 3f5s h ALA 26 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3f5s h ALA 26 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3f5s h ALA 26 CO 0.06 0.07 0.32 0.00 0.00 0.00 0.00 179.25 179.70 3f5s h ALA 27 N 1.04 0.68 -0.42 0.00 0.00 -1.07 0.43 119.26 119.92 3f5s h ALA 27 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3f5s h ALA 27 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3f5s h ALA 27 CO -0.02 0.04 0.00 1.98 0.00 0.00 0.00 179.25 181.26 3f5s h MET 28 N 0.64 0.75 -0.16 0.00 -1.53 -0.93 -2.05 114.93 111.65 3f5s h MET 28 Ca 0.21 -0.24 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 3f5s h MET 28 Cb 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 30.98 3f5s h MET 28 CO -0.09 0.82 0.08 1.15 0.14 0.00 0.00 176.91 179.01 3f5s h THR 29 N 0.58 1.14 -0.77 -0.77 2.02 -0.50 0.27 112.91 114.88 3f5s h THR 29 Ca 0.12 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3f5s h THR 29 Cb 0.48 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3f5s h THR 29 CO 0.02 0.13 0.49 1.88 0.37 0.00 0.00 175.52 178.41 3f5s h TYR 30 N 0.13 0.92 -0.78 3.16 0.05 -0.86 -1.70 116.97 117.88 3f5s h TYR 30 Ca 0.06 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3f5s h TYR 30 Cb 0.13 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 3f5s h TYR 30 CO -0.02 0.53 0.36 0.00 -1.05 0.00 0.00 178.16 177.98 3f5s h ALA 31 N 1.32 1.01 -0.40 3.88 0.00 -1.05 -1.22 119.26 122.80 3f5s h ALA 31 Ca 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3f5s h ALA 31 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3f5s h ALA 31 CO -0.11 0.59 0.21 0.00 0.00 0.00 0.00 179.25 179.94 3f5s h ARG 32 N 1.12 0.55 -0.39 0.00 3.08 -0.26 -1.71 114.38 116.76 3f5s h ARG 32 Ca 0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3f5s h ARG 32 Cb 0.14 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3f5s h ARG 32 CO -0.03 0.42 0.00 0.66 -1.07 0.00 0.00 179.97 179.95 3f5s n TYR 33 N -4.42 0.51 0.00 3.04 4.02 -0.70 -4.60 117.16 115.01 3f5s n TYR 33 Ca 0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3f5s n TYR 33 Cb 0.11 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 3f5s n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f5s n GLY 34 N 1.01 0.80 3.78 2.72 0.00 -0.64 -0.80 105.19 112.06 3f5s n GLY 34 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3f5s n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5s s ALA 35 N -2.00 2.58 -0.41 4.61 0.00 -0.51 -3.98 121.76 122.06 3f5s s ALA 35 Ca 0.00 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 3f5s s ALA 35 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 3f5s s ALA 35 CO 0.00 -1.04 0.64 0.99 0.00 0.00 0.00 175.76 176.35 3f5s s THR 36 N -2.21 4.85 -0.08 0.00 2.01 0.13 -4.43 115.64 115.91 3f5s s THR 36 Ca 0.68 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.95 3f5s s THR 36 Cb -0.20 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 3f5s s THR 36 CO 0.36 -0.49 0.10 -0.69 -0.69 0.00 0.00 174.62 173.22 3f5s s VAL 37 N 2.79 5.06 -0.14 3.82 1.01 -1.26 -1.03 120.40 130.65 3f5s s VAL 37 Ca 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3f5s s VAL 37 Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3f5s s VAL 37 CO 0.17 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 175.01 3f5s s ILE 38 N -1.04 2.43 -0.15 2.22 1.01 -0.16 -3.42 121.20 122.09 3f5s s ILE 38 Ca 0.17 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3f5s s ILE 38 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3f5s s ILE 38 CO 0.06 0.53 0.14 -0.76 0.00 0.00 0.00 174.94 174.92 3f5s s LEU 39 N 0.69 4.31 -0.05 2.97 1.43 -0.32 -0.81 118.68 126.90 3f5s s LEU 39 Ca -0.09 0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 3f5s s LEU 39 Cb -0.16 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3f5s s LEU 39 CO 0.02 0.31 -0.21 -0.22 0.23 0.00 0.00 176.35 176.47 3f5s s LEU 40 N -0.44 2.00 0.00 1.79 0.20 -0.32 -0.99 118.68 120.93 3f5s s LEU 40 Ca 0.12 -0.44 -0.20 0.00 0.69 0.00 0.00 54.13 54.31 3f5s s LEU 40 Cb -0.12 -1.18 0.07 0.00 -0.43 0.00 0.00 46.19 44.53 3f5s s LEU 40 CO 0.02 0.21 0.94 0.61 -0.29 0.00 0.00 176.35 177.84 3f5s n GLY 41 N 3.01 0.62 0.12 7.98 0.00 -1.03 -2.11 105.19 113.77 3f5s n GLY 41 Ca -0.18 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 3f5s n GLY 41 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f5s h ARG 42 N 0.00 0.28 -4.88 1.61 3.08 -1.88 -1.01 114.38 111.58 3f5s h ARG 42 Ca -0.23 -0.41 -0.67 0.00 0.07 0.00 0.00 59.98 58.73 3f5s h ARG 42 Cb 1.06 0.14 -0.34 0.00 0.08 0.00 0.00 29.97 30.91 3f5s h ARG 42 CO 0.32 1.16 -0.77 1.21 -1.07 0.00 0.00 179.97 180.82 3f5s s ASN 43 N -7.09 4.34 0.26 7.04 3.84 -1.26 -4.77 114.94 117.29 3f5s s ASN 43 Ca -0.04 -1.09 -0.04 0.00 0.21 0.00 0.00 52.86 51.90 3f5s s ASN 43 Cb 0.08 -1.62 0.34 0.00 -0.55 0.00 0.00 41.25 39.50 3f5s s ASN 43 CO 0.87 -0.16 1.91 -0.08 -2.79 0.00 0.00 177.10 176.85 3f5s h GLU 44 N 7.93 1.23 -0.48 0.43 4.22 -1.97 -2.03 114.58 123.90 3f5s h GLU 44 Ca -0.28 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.03 3f5s h GLU 44 Cb 1.08 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3f5s h GLU 44 CO 0.54 0.81 0.06 1.49 -2.18 0.00 0.00 179.01 179.74 3f5s h GLU 45 N 1.27 0.81 -0.57 1.92 4.57 -1.99 -0.12 114.58 120.46 3f5s h GLU 45 Ca 0.40 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 3f5s h GLU 45 Cb 0.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3f5s h GLU 45 CO -0.13 0.82 -0.05 0.87 -1.18 0.00 0.00 179.01 179.35 3f5s h LYS 46 N 0.68 1.03 -0.48 1.92 1.57 -1.93 -2.32 116.57 117.04 3f5s h LYS 46 Ca 0.14 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 3f5s h LYS 46 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3f5s h LYS 46 CO 0.01 1.03 0.10 -0.07 -0.57 0.00 0.00 179.45 179.96 3f5s h LEU 47 N 0.93 0.73 -0.93 2.94 3.38 -1.17 -1.60 115.31 119.59 3f5s h LEU 47 Ca 0.16 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3f5s h LEU 47 Cb 0.60 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3f5s h LEU 47 CO 0.04 0.79 0.60 -0.09 0.09 0.00 0.00 178.44 179.86 3f5s h ARG 48 N 0.65 1.08 -0.48 1.13 2.43 -0.94 -0.31 114.38 117.95 3f5s h ARG 48 Ca 0.15 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3f5s h ARG 48 Cb 0.35 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3f5s h ARG 48 CO 0.00 0.71 -0.12 1.96 -1.51 0.00 0.00 179.97 181.01 3f5s h GLN 49 N 1.11 0.92 -0.55 0.20 4.20 -1.14 -1.01 115.11 118.85 3f5s h GLN 49 Ca 0.39 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3f5s h GLN 49 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3f5s h GLN 49 CO -0.15 1.01 0.30 0.28 -0.67 0.00 0.00 178.83 179.60 3f5s h VAL 50 N 0.77 1.18 -0.71 -0.54 2.07 -0.87 -1.57 116.25 116.58 3f5s h VAL 50 Ca 0.12 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3f5s h VAL 50 Cb 0.68 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3f5s h VAL 50 CO 0.05 0.20 0.25 0.00 0.02 0.00 0.00 177.57 178.09 3f5s h ALA 51 N 1.13 0.93 -0.55 1.67 0.00 -0.90 -0.95 119.26 120.59 3f5s h ALA 51 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3f5s h ALA 51 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3f5s h ALA 51 CO -0.03 0.58 0.31 1.03 0.00 0.00 0.00 179.25 181.14 3f5s h SER 52 N 1.03 0.68 -0.41 0.00 0.87 -0.92 -0.86 113.55 113.94 3f5s h SER 52 Ca 0.23 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3f5s h SER 52 Cb 0.26 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3f5s h SER 52 CO -0.01 0.57 -0.02 -0.74 -0.53 0.00 0.00 176.83 176.10 3f5s h HIS 53 N 0.74 0.82 -0.79 2.24 6.17 -1.00 -0.95 115.15 122.39 3f5s h HIS 53 Ca 0.20 -0.15 0.01 0.00 0.71 0.00 0.00 60.37 61.13 3f5s h HIS 53 Cb 0.03 -0.21 -0.04 0.00 2.52 0.00 0.00 27.41 29.71 3f5s h HIS 53 CO -0.02 0.82 0.52 0.82 0.71 0.00 0.00 177.93 180.79 3f5s h ILE 54 N 0.57 1.21 -0.81 6.26 2.04 -0.93 -1.09 117.51 124.76 3f5s h ILE 54 Ca 0.12 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3f5s h ILE 54 Cb 0.51 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3f5s h ILE 54 CO 0.03 0.20 0.53 -1.13 0.00 0.00 0.00 178.15 177.77 3f5s h ASN 55 N 1.07 0.94 -0.64 1.72 -1.24 -0.80 0.13 115.58 116.77 3f5s h ASN 55 Ca 0.29 -0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.18 3f5s h ASN 55 Cb -0.12 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.67 3f5s h ASN 55 CO -0.06 0.70 0.09 -0.33 -1.29 0.00 0.00 177.43 176.53 3f5s h GLU 56 N 1.10 1.08 0.00 6.67 5.08 -0.62 0.19 114.58 128.08 3f5s h GLU 56 Ca 0.30 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3f5s h GLU 56 Cb -0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3f5s h GLU 56 CO -0.06 1.00 -0.64 0.93 -1.00 0.00 0.00 179.01 179.24 3f5s h GLU 57 N 1.01 0.00 0.00 2.33 4.39 -0.78 -3.39 114.58 118.14 3f5s h GLU 57 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3f5s h GLU 57 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3f5s h GLU 57 CO 0.02 0.32 -0.57 0.25 -1.16 0.00 0.00 179.01 177.86 3f5s n THR 58 N -3.08 0.00 -0.57 1.13 -2.24 0.43 -5.01 114.28 104.94 3f5s n THR 58 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3f5s n THR 58 Cb 0.70 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3f5s n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f5s n GLY 59 N 1.59 1.53 3.51 3.38 0.00 0.64 -5.02 105.19 110.83 3f5s n GLY 59 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3f5s n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f5s s ARG 60 N -0.13 3.75 -0.34 1.61 0.52 -1.26 -4.99 118.95 118.12 3f5s s ARG 60 Ca 0.00 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 3f5s s ARG 60 Cb 0.00 -3.18 -0.00 0.00 0.52 0.00 0.00 34.95 32.29 3f5s s ARG 60 CO 0.00 0.06 0.21 -1.14 0.02 0.00 0.00 175.30 174.45 3f5s s GLN 61 N 0.91 3.27 0.47 3.54 0.74 -1.26 -2.79 119.66 124.53 3f5s s GLN 61 Ca 0.03 -0.78 -0.22 0.00 0.05 0.00 0.00 55.36 54.43 3f5s s GLN 61 Cb -0.14 -3.73 -0.07 0.00 1.10 0.00 0.00 33.01 30.17 3f5s s GLN 61 CO 0.02 -0.51 1.15 -2.14 -0.55 0.00 0.00 175.29 173.27 3f5s s PRO 62 N 1.65 3.73 0.54 1.67 0.02 -1.26 -4.96 135.00 136.39 3f5s s PRO 62 Ca 0.05 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 62.73 3f5s s PRO 62 Cb -0.18 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 3f5s s PRO 62 CO 0.08 -0.57 0.87 -0.65 -0.33 0.00 0.00 177.00 176.41 3f5s s GLN 63 N -2.77 3.45 0.08 5.54 -0.21 -1.22 -4.87 119.66 119.66 3f5s s GLN 63 Ca 0.64 0.31 0.02 0.00 0.02 0.00 0.00 55.36 56.36 3f5s s GLN 63 Cb -0.27 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 3f5s s GLN 63 CO 0.33 -0.39 -0.07 1.67 -2.12 0.00 0.00 175.29 174.71 3f5s s TRP 64 N -2.90 0.82 0.05 0.91 1.48 -1.26 -1.17 118.94 116.86 3f5s s TRP 64 Ca 0.50 -0.77 0.01 0.00 -1.06 0.00 0.00 56.10 54.79 3f5s s TRP 64 Cb -0.11 -0.48 -0.03 0.00 -1.16 0.00 0.00 33.47 31.70 3f5s s TRP 64 CO 0.47 -0.13 -0.06 -0.06 -4.06 0.00 0.00 176.95 173.12 3f5s s PHE 65 N -2.84 0.60 -0.19 1.66 0.08 -0.16 -4.95 117.98 112.19 3f5s s PHE 65 Ca 0.04 -0.63 -0.09 0.00 0.12 0.00 0.00 56.93 56.37 3f5s s PHE 65 Cb -0.00 -0.37 -0.05 0.00 -0.57 0.00 0.00 43.02 42.03 3f5s s PHE 65 CO -0.03 -0.15 0.11 0.42 -0.10 0.00 0.00 175.22 175.47 3f5s s ILE 66 N -2.03 5.20 -0.18 0.64 -1.09 -1.26 -2.47 121.20 120.02 3f5s s ILE 66 Ca -0.06 0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 3f5s s ILE 66 Cb -0.06 -3.36 0.06 0.00 -1.58 0.00 0.00 42.46 37.52 3f5s s ILE 66 CO -0.02 0.45 0.44 -0.22 -1.23 0.00 0.00 174.94 174.36 3f5s s LEU 67 N 0.33 -0.06 -0.44 2.97 2.96 -0.38 -4.93 118.68 119.13 3f5s s LEU 67 Ca 0.06 0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 54.79 3f5s s LEU 67 Cb -0.11 1.47 0.07 0.00 0.50 0.00 0.00 46.19 48.11 3f5s s LEU 67 CO -0.01 -0.19 0.32 -0.62 -1.32 0.00 0.00 176.35 174.53 3f5s s ASP 68 N 1.12 5.90 0.55 3.68 -1.08 -1.26 -3.50 116.67 122.08 3f5s s ASP 68 Ca -0.07 -1.37 0.31 0.00 -0.52 0.00 0.00 52.55 50.89 3f5s s ASP 68 Cb -0.07 -2.09 1.58 0.00 -1.46 0.00 0.00 42.92 40.88 3f5s s ASP 68 CO -0.10 -0.58 2.10 -0.07 0.52 0.00 0.00 175.17 177.05 3f5s h LEU 69 N 8.58 0.00 -1.20 -1.34 3.38 -1.96 -0.97 115.31 121.81 3f5s h LEU 69 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3f5s h LEU 69 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3f5s h LEU 69 CO 0.81 0.08 -0.19 0.25 0.09 0.00 0.00 178.44 179.49 3f5s h LEU 70 N 0.00 0.32 -0.60 1.67 5.85 -1.93 -3.35 115.31 117.28 3f5s h LEU 70 Ca -0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3f5s h LEU 70 Cb 0.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3f5s h LEU 70 CO 0.01 0.53 -0.02 0.35 -0.34 0.00 0.00 178.44 178.97 3f5s n THR 71 N -4.20 0.00 -1.98 1.05 -2.24 -0.93 -4.88 114.28 101.10 3f5s n THR 71 Ca -0.00 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 3f5s n THR 71 Cb 0.33 1.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.61 3f5s n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f5s s THR 73 N -1.81 3.16 0.26 0.00 -4.23 -1.26 -5.00 115.64 106.76 3f5s s THR 73 Ca 0.74 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 3f5s s THR 73 Cb -0.27 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.67 3f5s s THR 73 CO 0.34 -0.04 1.85 -1.28 -0.54 0.00 0.00 174.62 174.95 3f5s h SER 74 N 0.56 0.95 -0.88 3.99 0.87 -1.96 -1.70 113.55 115.38 3f5s h SER 74 Ca -0.42 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3f5s h SER 74 Cb 1.28 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 3f5s h SER 74 CO 0.48 0.82 0.58 -0.08 -0.53 0.00 0.00 176.83 178.10 3f5s h GLU 75 N 1.03 1.03 -0.73 2.24 4.22 -1.98 -0.54 114.58 119.85 3f5s h GLU 75 Ca 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.59 3f5s h GLU 75 Cb 0.15 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3f5s h GLU 75 CO -0.03 0.68 0.33 -0.91 -2.18 0.00 0.00 179.01 176.90 3f5s h ASN 76 N 1.07 0.96 -0.36 1.04 -0.26 -1.71 0.12 115.58 116.43 3f5s h ASN 76 Ca 0.36 -0.12 -0.13 0.00 -0.56 0.00 0.00 56.30 55.85 3f5s h ASN 76 Cb 0.08 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 3f5s h ASN 76 CO -0.12 0.83 -0.27 0.00 -1.06 0.00 0.00 177.43 176.81 3f5s h GLN 78 N 0.74 0.82 -0.70 0.00 4.20 -0.64 -1.27 115.11 118.26 3f5s h GLN 78 Ca 0.09 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3f5s h GLN 78 Cb 0.82 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 3f5s h GLN 78 CO 0.07 0.86 0.23 1.96 -0.67 0.00 0.00 178.83 181.27 3f5s h GLN 79 N 0.75 1.08 -0.20 1.46 1.08 -0.74 -1.40 115.11 117.15 3f5s h GLN 79 Ca 0.14 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3f5s h GLN 79 Cb 0.53 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3f5s h GLN 79 CO 0.03 0.91 0.12 1.25 -0.95 0.00 0.00 178.83 180.19 3f5s h LEU 80 N 1.04 0.23 -0.94 1.46 5.85 -0.84 -1.07 115.31 121.04 3f5s h LEU 80 Ca 0.23 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.02 3f5s h LEU 80 Cb 0.28 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3f5s h LEU 80 CO -0.01 0.20 0.58 0.00 -0.34 0.00 0.00 178.44 178.86 3f5s h ALA 81 N 1.04 1.38 -0.77 1.25 0.00 -0.90 -0.87 119.26 120.40 3f5s h ALA 81 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3f5s h ALA 81 Cb 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3f5s h ALA 81 CO -0.01 0.20 0.41 1.96 0.00 0.00 0.00 179.25 181.81 3f5s h GLN 82 N 0.94 1.06 -0.56 0.00 4.20 -0.53 -0.59 115.11 119.63 3f5s h GLN 82 Ca 0.46 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 3f5s h GLN 82 Cb 0.41 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3f5s h GLN 82 CO -0.25 0.78 -0.00 0.00 -0.67 0.00 0.00 178.83 178.69 3f5s h ARG 83 N 1.07 0.99 -0.78 1.46 2.47 0.03 -2.84 114.38 116.78 3f5s h ARG 83 Ca 0.27 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3f5s h ARG 83 Cb 0.03 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 3f5s h ARG 83 CO -0.04 0.99 0.42 0.82 0.56 0.00 0.00 179.97 182.72 3f5s h ILE 84 N 0.88 1.23 0.00 2.04 2.04 -0.60 -2.83 117.51 120.27 3f5s h ILE 84 Ca 0.16 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3f5s h ILE 84 Cb 0.55 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3f5s h ILE 84 CO 0.03 0.26 -0.12 0.58 0.00 0.00 0.00 178.15 178.91 3f5s h VAL 85 N 1.08 0.80 -0.79 1.67 2.07 -0.89 0.17 116.25 120.36 3f5s h VAL 85 Ca 0.27 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3f5s h VAL 85 Cb 0.04 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3f5s h VAL 85 CO -0.04 0.11 0.38 0.58 0.02 0.00 0.00 177.57 178.62 3f5s h VAL 86 N 0.00 1.24 0.00 2.57 2.07 -1.36 -3.31 116.25 117.46 3f5s h VAL 86 Ca -0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3f5s h VAL 86 Cb 0.25 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3f5s h VAL 86 CO 0.02 0.29 -0.96 0.59 0.02 0.00 0.00 177.57 177.53 3f5s n ASN 87 N -4.32 1.03 -4.00 0.57 5.03 -0.70 -5.00 115.26 107.88 3f5s n ASN 87 Ca 0.08 -0.55 -0.18 0.00 0.87 0.00 0.00 54.58 54.80 3f5s n ASN 87 Cb 0.13 1.21 -0.15 0.00 -1.02 0.00 0.00 39.78 39.95 3f5s n ASN 87 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3f5s s TYR 88 N -2.49 0.70 -1.14 3.10 2.02 -0.04 -5.04 117.35 114.47 3f5s s TYR 88 Ca 0.02 -0.14 0.27 0.00 -0.37 0.00 0.00 57.07 56.85 3f5s s TYR 88 Cb 0.10 -0.46 0.89 0.00 -0.40 0.00 0.00 41.96 42.09 3f5s s TYR 88 CO 0.56 -0.02 1.68 -0.35 -1.57 0.00 0.00 175.55 175.84 3f5s n PRO 89 N 2.93 0.15 -3.67 -1.71 -0.04 -1.26 -4.37 135.00 127.03 3f5s n PRO 89 Ca -0.14 -0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.25 3f5s n PRO 89 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3f5s n PRO 89 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3f5s s ARG 90 N -2.89 0.76 -0.11 0.54 1.70 -1.26 -4.95 118.95 112.73 3f5s s ARG 90 Ca 0.16 -0.41 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 3f5s s ARG 90 Cb 0.19 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3f5s s ARG 90 CO 0.60 -0.35 -0.22 -0.51 -1.08 0.00 0.00 175.30 173.74 3f5s s LEU 91 N -2.89 2.16 0.23 -1.89 1.43 -0.68 -4.88 118.68 112.16 3f5s s LEU 91 Ca 0.13 -0.55 0.21 0.00 -1.03 0.00 0.00 54.13 52.89 3f5s s LEU 91 Cb 0.02 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.84 3f5s s LEU 91 CO -0.02 0.14 1.15 0.44 0.23 0.00 0.00 176.35 178.29 3f5s h ASP 92 N 6.85 0.00 -4.60 2.29 3.32 -0.91 -3.35 116.42 120.02 3f5s h ASP 92 Ca -0.23 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 3f5s h ASP 92 Cb 1.23 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.57 3f5s h ASP 92 CO 0.50 0.14 -0.07 -0.83 -1.72 0.00 0.00 179.24 177.26 3f5s s GLY 93 N -4.42 -0.37 -0.10 2.75 0.00 -0.86 -1.05 107.32 103.26 3f5s s GLY 93 Ca 0.01 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3f5s s GLY 93 CO 0.77 0.80 -0.08 0.14 0.00 0.00 0.00 173.10 174.73 3f5s s VAL 94 N -0.70 0.97 -0.31 1.40 1.01 -0.45 -1.27 120.40 121.06 3f5s s VAL 94 Ca -0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3f5s s VAL 94 Cb -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.37 3f5s s VAL 94 CO 0.05 0.35 0.11 -0.22 0.00 0.00 0.00 175.10 175.39 3f5s s LEU 95 N 1.51 4.03 -0.72 3.92 2.96 0.31 -1.12 118.68 129.57 3f5s s LEU 95 Ca 0.01 -0.71 -0.21 0.00 -0.22 0.00 0.00 54.13 53.00 3f5s s LEU 95 Cb -0.13 -1.93 0.09 0.00 0.50 0.00 0.00 46.19 44.72 3f5s s LEU 95 CO -0.06 -0.22 0.96 -1.00 -1.32 0.00 0.00 176.35 174.71 3f5s s HIS 96 N 1.53 2.85 -0.08 5.38 3.76 0.26 -1.26 115.29 127.74 3f5s s HIS 96 Ca 0.03 -0.85 0.14 0.00 -0.15 0.00 0.00 55.06 54.23 3f5s s HIS 96 Cb -0.17 -4.24 -0.21 0.00 1.11 0.00 0.00 32.58 29.06 3f5s s HIS 96 CO 0.04 -1.54 0.34 -1.71 -0.85 0.00 0.00 174.74 171.02 3f5s n ASN 97 N 7.13 1.65 -4.66 1.40 5.15 -1.24 -2.58 115.26 122.11 3f5s n ASN 97 Ca 0.02 -0.08 -0.41 0.00 -0.60 0.00 0.00 54.58 53.52 3f5s n ASN 97 Cb 0.46 1.59 0.01 0.00 -0.53 0.00 0.00 39.78 41.31 3f5s n ASN 97 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3f5s n ALA 98 N -1.93 0.80 -3.61 5.20 0.00 -1.22 -4.77 120.51 114.98 3f5s n ALA 98 Ca -0.02 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 3f5s n ALA 98 Cb 0.36 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 3f5s n ALA 98 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f5s s GLY 99 N -0.64 -0.34 -0.05 0.00 0.00 -1.26 -4.87 107.32 100.16 3f5s s GLY 99 Ca 0.62 1.33 0.04 0.00 0.00 0.00 0.00 44.72 46.71 3f5s s GLY 99 CO 0.57 0.39 -0.17 -2.27 0.00 0.00 0.00 173.10 171.62 3f5s s LEU 100 N -2.50 1.88 -0.05 0.66 2.96 -1.26 -5.04 118.68 115.33 3f5s s LEU 100 Ca 0.12 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.46 3f5s s LEU 100 Cb 0.02 -0.97 -0.32 0.00 0.50 0.00 0.00 46.19 45.43 3f5s s LEU 100 CO -0.04 0.13 0.89 0.25 -1.32 0.00 0.00 176.35 176.26 3f5s h LEU 101 N 6.42 0.49 0.00 -0.68 5.85 -2.00 -3.46 115.31 121.93 3f5s h LEU 101 Ca -0.31 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.46 3f5s h LEU 101 Cb 1.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3f5s h LEU 101 CO 0.48 1.42 0.00 0.61 -0.34 0.00 0.00 178.44 180.60 3f5s n GLY 102 N 1.67 -0.17 3.73 3.75 0.00 -1.26 -4.19 105.19 108.73 3f5s n GLY 102 Ca -0.14 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3f5s n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f5s s ASP 103 N -4.00 7.51 -0.44 1.61 1.01 -1.26 -5.02 116.67 116.08 3f5s s ASP 103 Ca 0.00 1.86 -0.01 0.00 0.71 0.00 0.00 52.55 55.11 3f5s s ASP 103 Cb 0.00 -2.60 0.12 0.00 1.01 0.00 0.00 42.92 41.45 3f5s s ASP 103 CO 0.00 -0.03 0.22 -0.69 0.21 0.00 0.00 175.17 174.88 3f5s s VAL 104 N -0.31 3.10 -0.15 -1.27 1.01 -1.26 -4.65 120.40 116.86 3f5s s VAL 104 Ca 0.46 -2.38 -0.34 0.00 0.00 0.00 0.00 61.98 59.71 3f5s s VAL 104 Cb -0.25 -3.13 0.14 0.00 0.00 0.00 0.00 36.38 33.14 3f5s s VAL 104 CO 0.31 -0.71 1.24 0.00 0.00 0.00 0.00 175.10 175.94 3f5s n PRO 106 N -0.19 0.03 -0.15 0.00 -0.02 -1.26 -4.30 135.00 129.10 3f5s n PRO 106 Ca -0.02 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.67 3f5s n PRO 106 Cb 0.59 -2.29 0.47 0.00 -0.02 0.00 0.00 33.50 32.25 3f5s n PRO 106 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3f5s h MET 107 N -1.10 0.47 0.00 -0.52 2.86 -1.97 0.83 114.93 115.50 3f5s h MET 107 Ca -0.45 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3f5s h MET 107 Cb 1.30 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3f5s h MET 107 CO 0.43 0.31 0.00 0.66 1.06 0.00 0.00 176.91 179.37 3f5s h SER 108 N 0.48 0.00 0.00 1.22 4.64 -2.04 -3.04 113.55 114.81 3f5s h SER 108 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3f5s h SER 108 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3f5s h SER 108 CO -0.11 0.00 -0.72 -0.62 -0.87 0.00 0.00 176.83 174.51 3f5s n GLU 109 N -2.70 2.85 -1.67 4.77 -0.58 0.19 -5.01 120.64 118.49 3f5s n GLU 109 Ca 0.00 -0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.27 3f5s n GLU 109 Cb 0.21 -1.04 -0.04 0.00 -0.57 0.00 0.00 31.44 30.01 3f5s n GLU 109 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3f5s n GLN 110 N -1.39 2.15 -2.58 3.49 1.13 -0.63 -4.92 117.38 114.63 3f5s n GLN 110 Ca 0.01 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.42 3f5s n GLN 110 Cb 0.18 -2.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.00 3f5s n GLN 110 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3f5s s ASN 111 N 0.71 7.18 0.39 1.08 3.84 -1.26 -4.94 114.94 121.93 3f5s s ASN 111 Ca 0.75 1.71 0.11 0.00 0.21 0.00 0.00 52.86 55.64 3f5s s ASN 111 Cb -0.66 -2.56 0.78 0.00 -0.55 0.00 0.00 41.25 38.26 3f5s s ASN 111 CO 0.42 -0.47 1.89 -0.65 -2.79 0.00 0.00 177.10 175.50 3f5s h PRO 112 N 7.14 0.15 -0.34 0.43 0.11 -1.99 -0.83 132.00 136.67 3f5s h PRO 112 Ca -0.35 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 3f5s h PRO 112 Cb 1.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3f5s h PRO 112 CO 0.84 0.36 -0.14 0.37 -0.21 0.00 0.00 178.00 179.22 3f5s h GLN 113 N 0.14 0.70 -0.82 1.05 5.75 -1.99 -1.45 115.11 118.49 3f5s h GLN 113 Ca 0.03 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3f5s h GLN 113 Cb 0.46 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 3f5s h GLN 113 CO 0.03 0.89 0.49 0.28 -2.65 0.00 0.00 178.83 177.88 3f5s h VAL 114 N 0.48 1.23 -0.34 2.39 2.07 -1.89 -0.69 116.25 119.50 3f5s h VAL 114 Ca 0.08 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3f5s h VAL 114 Cb 0.67 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3f5s h VAL 114 CO 0.05 0.24 0.12 -0.25 0.02 0.00 0.00 177.57 177.74 3f5s h TRP 115 N 1.12 0.21 -0.56 1.57 2.91 -1.03 0.42 115.95 120.59 3f5s h TRP 115 Ca 0.29 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.28 3f5s h TRP 115 Cb -0.04 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 3f5s h TRP 115 CO -0.00 0.09 0.13 0.37 -1.03 0.00 0.00 178.44 177.99 3f5s h GLN 116 N 0.26 0.86 -0.50 2.65 4.15 -0.78 -1.53 115.11 120.21 3f5s h GLN 116 Ca 0.15 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 3f5s h GLN 116 Cb 0.13 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3f5s h GLN 116 CO -0.16 0.77 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.97 3f5s h ASP 117 N 0.83 0.96 -0.51 -0.69 3.32 -0.39 0.31 116.42 120.25 3f5s h ASP 117 Ca 0.18 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3f5s h ASP 117 Cb 0.31 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3f5s h ASP 117 CO -0.00 1.09 0.34 0.58 -1.72 0.00 0.00 179.24 179.53 3f5s h VAL 118 N 0.82 1.13 -0.39 -1.35 2.07 -0.61 -0.92 116.25 117.00 3f5s h VAL 118 Ca 0.13 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3f5s h VAL 118 Cb 0.66 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3f5s h VAL 118 CO 0.05 0.13 -0.22 0.24 0.02 0.00 0.00 177.57 177.78 3f5s h MET 119 N 0.69 0.77 -0.45 1.57 2.86 -1.09 0.30 114.93 119.59 3f5s h MET 119 Ca 0.19 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 3f5s h MET 119 Cb -0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3f5s h MET 119 CO -0.04 0.92 -0.03 0.37 1.06 0.00 0.00 176.91 179.20 3f5s h GLN 120 N 0.67 0.81 0.03 1.72 5.75 -0.40 -1.04 115.11 122.65 3f5s h GLN 120 Ca 0.09 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 3f5s h GLN 120 Cb 0.73 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.21 3f5s h GLN 120 CO 0.06 0.88 -0.01 0.82 -2.65 0.00 0.00 178.83 177.93 3f5s h ILE 121 N 0.65 1.43 -0.00 2.39 2.04 -1.13 0.25 117.51 123.13 3f5s h ILE 121 Ca 0.12 -1.70 -0.18 0.00 1.00 0.00 0.00 64.86 64.11 3f5s h ILE 121 Cb 0.53 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3f5s h ILE 121 CO 0.03 0.42 -0.82 0.78 0.00 0.00 0.00 178.15 178.56 3f5s h ASN 122 N -0.81 0.16 0.00 1.72 4.21 -0.98 -3.11 115.58 116.77 3f5s h ASN 122 Ca -0.00 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.38 3f5s h ASN 122 Cb 0.71 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3f5s h ASN 122 CO 0.01 0.91 -0.34 0.52 -1.29 0.00 0.00 177.43 177.24 3f5s n VAL 123 N -3.66 1.11 -0.05 2.81 0.31 -0.48 -4.53 118.33 113.83 3f5s n VAL 123 Ca -0.02 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 3f5s n VAL 123 Cb 0.77 -1.78 -0.07 0.00 -0.91 0.00 0.00 33.84 31.85 3f5s n VAL 123 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3f5s h ASN 124 N -0.34 0.41 0.33 4.52 2.35 -1.20 0.21 115.58 121.87 3f5s h ASN 124 Ca 0.00 -0.53 -0.17 0.00 -0.55 0.00 0.00 56.30 55.06 3f5s h ASN 124 Cb 0.34 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3f5s h ASN 124 CO 0.00 0.86 -0.68 0.00 -1.65 0.00 0.00 177.43 175.96 3f5s h ALA 125 N 0.56 0.70 -0.70 -0.83 0.00 -0.65 -0.28 119.26 118.07 3f5s h ALA 125 Ca 0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3f5s h ALA 125 Cb 0.77 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3f5s h ALA 125 CO 0.05 0.76 0.35 1.15 0.00 0.00 0.00 179.25 181.56 3f5s h THR 126 N 0.22 1.23 0.19 0.00 2.02 -1.45 0.03 112.91 115.14 3f5s h THR 126 Ca -0.02 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3f5s h THR 126 Cb 1.23 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3f5s h THR 126 CO 0.11 0.26 -0.09 0.15 0.37 0.00 0.00 175.52 176.32 3f5s h PHE 127 N 0.97 -0.23 -0.76 3.16 3.57 -0.68 -1.30 116.94 121.67 3f5s h PHE 127 Ca 0.24 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 3f5s h PHE 127 Cb 0.10 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3f5s h PHE 127 CO 0.00 -0.10 0.49 0.52 -2.23 0.00 0.00 178.31 176.98 3f5s h MET 128 N -0.30 0.92 -0.55 1.11 2.86 -0.80 0.18 114.93 118.36 3f5s h MET 128 Ca -0.03 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 3f5s h MET 128 Cb 0.23 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3f5s h MET 128 CO 0.04 0.61 -0.03 1.25 1.06 0.00 0.00 176.91 179.84 3f5s h LEU 129 N 0.95 0.98 -0.24 1.22 5.85 -0.97 -2.17 115.31 120.93 3f5s h LEU 129 Ca 0.30 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3f5s h LEU 129 Cb 0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3f5s h LEU 129 CO -0.11 1.06 0.02 0.74 -0.34 0.00 0.00 178.44 179.82 3f5s h THR 130 N 0.87 0.86 -0.93 1.05 2.02 -0.66 -1.66 112.91 114.46 3f5s h THR 130 Ca 0.15 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.36 3f5s h THR 130 Cb 0.58 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 3f5s h THR 130 CO 0.03 0.02 0.59 -0.61 0.37 0.00 0.00 175.52 175.92 3f5s h GLN 131 N 0.10 1.05 -0.07 6.66 4.15 -0.76 -0.78 115.11 125.47 3f5s h GLN 131 Ca 0.11 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 3f5s h GLN 131 Cb 0.13 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3f5s h GLN 131 CO -0.17 0.69 -0.21 0.00 -1.93 0.00 0.00 178.83 177.21 3f5s h ALA 132 N 1.42 1.51 -0.01 3.38 0.00 -0.75 -3.13 119.26 121.68 3f5s h ALA 132 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3f5s h ALA 132 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f5s h ALA 132 CO -0.17 0.35 -0.56 1.28 0.00 0.00 0.00 179.25 180.16 3f5s n LEU 133 N -4.24 1.39 -0.29 0.00 4.77 -0.61 -4.48 117.00 113.54 3f5s n LEU 133 Ca -0.02 -0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 55.45 3f5s n LEU 133 Cb 0.30 -0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.46 3f5s n LEU 133 CO 0.38 0.28 1.18 -0.07 -1.33 0.00 0.00 177.39 177.83 3f5s h LEU 134 N 1.31 0.81 -0.65 2.23 3.38 -1.13 -1.70 115.31 119.56 3f5s h LEU 134 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3f5s h LEU 134 Cb 0.61 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3f5s h LEU 134 CO 0.00 0.54 0.35 -0.65 0.09 0.00 0.00 178.44 178.77 3f5s h PRO 135 N 0.96 0.92 -0.81 1.13 0.11 -1.80 -0.36 132.00 132.14 3f5s h PRO 135 Ca 0.34 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 3f5s h PRO 135 Cb 0.10 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 3f5s h PRO 135 CO -0.15 0.70 0.42 -0.07 -0.21 0.00 0.00 178.00 178.69 3f5s h LEU 136 N 0.89 1.03 -1.24 2.35 3.38 -1.78 -2.60 115.31 117.35 3f5s h LEU 136 Ca 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3f5s h LEU 136 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3f5s h LEU 136 CO -0.04 0.85 0.10 -0.07 0.09 0.00 0.00 178.44 179.38 3f5s h LEU 137 N 1.13 0.58 -1.54 1.67 3.38 -0.71 -1.68 115.31 118.13 3f5s h LEU 137 Ca 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3f5s h LEU 137 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3f5s h LEU 137 CO -0.04 0.58 0.00 -0.07 0.09 0.00 0.00 178.44 179.00 3f5s h LEU 138 N 0.62 0.00 0.00 1.67 3.38 -0.69 -2.31 115.31 117.97 3f5s h LEU 138 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3f5s h LEU 138 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3f5s h LEU 138 CO -0.00 0.00 -0.21 0.29 0.09 0.00 0.00 178.44 178.61 3f5s n LYS 139 N -2.69 0.09 -1.76 1.13 5.02 -0.90 -4.83 118.16 114.22 3f5s n LYS 139 Ca -0.00 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 3f5s n LYS 139 Cb 0.19 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3f5s n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3f5s s SER 140 N -3.48 5.12 0.49 4.39 0.15 -0.87 -4.93 113.70 114.57 3f5s s SER 140 Ca 0.12 1.99 0.16 0.00 0.70 0.00 0.00 55.95 58.92 3f5s s SER 140 Cb 0.17 -2.55 1.16 0.00 -1.71 0.00 0.00 66.02 63.09 3f5s s SER 140 CO 0.61 -1.62 2.07 0.44 1.20 0.00 0.00 173.24 175.94 3f5s h ASP 141 N 0.03 0.00 -0.46 5.45 3.32 -1.88 -3.38 116.42 119.51 3f5s h ASP 141 Ca -0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 3f5s h ASP 141 Cb 1.25 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 3f5s h ASP 141 CO 0.54 0.09 -0.47 0.00 -1.72 0.00 0.00 179.24 177.69 3f5s n ALA 142 N -2.51 -1.76 -1.76 3.45 0.00 -1.26 -5.09 120.51 111.58 3f5s n ALA 142 Ca -0.03 -1.16 -0.38 0.00 0.00 0.00 0.00 53.44 51.87 3f5s n ALA 142 Cb 0.17 -1.52 0.02 0.00 0.00 0.00 0.00 19.45 18.12 3f5s n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f5s s GLY 143 N -0.43 2.85 -0.14 0.00 0.00 -1.26 -4.82 107.32 103.53 3f5s s GLY 143 Ca 0.31 1.19 0.01 0.00 0.00 0.00 0.00 44.72 46.23 3f5s s GLY 143 CO -0.15 1.69 -0.16 -0.45 0.00 0.00 0.00 173.10 174.03 3f5s s SER 144 N -1.07 2.71 -0.19 1.64 0.15 -0.22 -1.02 113.70 115.70 3f5s s SER 144 Ca 0.68 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 3f5s s SER 144 Cb -0.36 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 3f5s s SER 144 CO 0.43 -0.01 -0.09 -0.22 1.20 0.00 0.00 173.24 174.56 3f5s s LEU 145 N 1.23 2.76 -0.10 3.45 2.96 0.25 -1.33 118.68 127.90 3f5s s LEU 145 Ca 0.00 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3f5s s LEU 145 Cb -0.14 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3f5s s LEU 145 CO -0.07 0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.17 3f5s s VAL 146 N 1.09 1.40 0.21 1.68 1.01 -0.27 -1.62 120.40 123.90 3f5s s VAL 146 Ca 0.01 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3f5s s VAL 146 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3f5s s VAL 146 CO -0.02 0.42 0.26 -0.36 0.00 0.00 0.00 175.10 175.40 3f5s s PHE 147 N 0.95 3.30 -0.25 5.22 0.08 -0.38 -0.57 117.98 126.33 3f5s s PHE 147 Ca -0.08 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 56.84 3f5s s PHE 147 Cb -0.15 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 3f5s s PHE 147 CO -0.01 0.49 0.19 0.99 -0.10 0.00 0.00 175.22 176.79 3f5s s THR 148 N -1.94 5.33 0.00 0.64 2.01 -1.07 -0.54 115.64 120.07 3f5s s THR 148 Ca 0.33 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.56 3f5s s THR 148 Cb -0.09 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.89 3f5s s THR 148 CO 0.27 0.30 0.00 -0.24 -0.69 0.00 0.00 174.62 174.26 3f5s n SER 149 N 4.56 0.67 -3.52 3.53 2.88 0.43 -4.90 113.62 117.28 3f5s n SER 149 Ca -0.14 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.31 3f5s n SER 149 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 3f5s n SER 149 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3f5s s SER 150 N 0.08 -0.42 0.43 -3.46 0.15 -1.26 -4.42 113.70 104.79 3f5s s SER 150 Ca 0.00 -0.08 0.12 0.00 0.70 0.00 0.00 55.95 56.69 3f5s s SER 150 Cb 0.00 0.50 0.98 0.00 -1.71 0.00 0.00 66.02 65.79 3f5s s SER 150 CO 0.00 -0.83 2.00 0.77 1.20 0.00 0.00 173.24 176.39 3f5s h SER 151 N 2.00 0.40 -0.00 5.45 4.64 -1.94 -0.03 113.55 124.06 3f5s h SER 151 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3f5s h SER 151 Cb 1.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3f5s h SER 151 CO 0.33 0.25 0.00 1.33 -0.87 0.00 0.00 176.83 177.87 3f5s n VAL 152 N -4.47 0.00 1.25 0.95 0.24 -1.26 -1.58 118.33 113.46 3f5s n VAL 152 Ca 0.08 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 3f5s n VAL 152 Cb 0.28 -0.47 0.51 0.00 -1.47 0.00 0.00 33.84 32.69 3f5s n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f5s n GLY 153 N 1.00 -1.01 0.07 7.63 0.00 -0.03 -4.13 105.19 108.73 3f5s n GLY 153 Ca 0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3f5s n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f5s n ARG 154 N -1.07 0.91 -3.58 1.61 3.00 -0.61 -3.96 116.66 112.95 3f5s n ARG 154 Ca 0.11 0.06 -0.21 0.00 -0.01 0.00 0.00 57.85 57.80 3f5s n ARG 154 Cb 0.31 -1.31 -0.15 0.00 0.00 0.00 0.00 32.46 31.30 3f5s n ARG 154 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3f5s s GLN 155 N -2.31 0.09 0.40 5.56 0.74 -0.89 -5.13 119.66 118.13 3f5s s GLN 155 Ca -0.16 0.16 -0.26 0.00 0.05 0.00 0.00 55.36 55.14 3f5s s GLN 155 Cb 0.05 -1.27 -0.09 0.00 1.10 0.00 0.00 33.01 32.81 3f5s s GLN 155 CO 0.41 -0.58 1.27 0.20 -0.55 0.00 0.00 175.29 176.04 3f5s s GLY 156 N 2.23 2.92 0.07 2.59 0.00 -1.26 -4.19 107.32 109.69 3f5s s GLY 156 Ca 0.04 1.18 0.03 0.00 0.00 0.00 0.00 44.72 45.97 3f5s s GLY 156 CO -0.09 1.75 -0.10 0.50 0.00 0.00 0.00 173.10 175.16 3f5s s ARG 157 N -2.23 0.73 0.25 2.90 1.81 -1.26 -5.08 118.95 116.06 3f5s s ARG 157 Ca 0.57 -0.99 -0.29 0.00 -1.72 0.00 0.00 55.73 53.30 3f5s s ARG 157 Cb -0.37 -0.48 -0.15 0.00 -0.45 0.00 0.00 34.95 33.51 3f5s s ARG 157 CO 0.47 0.08 0.95 0.00 -0.68 0.00 0.00 175.30 176.12 3f5s n ALA 158 N 0.98 -0.85 -0.08 2.13 0.00 -1.26 -2.54 120.51 118.89 3f5s n ALA 158 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3f5s n ALA 158 Cb 0.56 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3f5s n ALA 158 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3f5s n ASN 159 N 1.52 0.00 -0.57 0.00 3.02 -1.26 -4.88 115.26 113.10 3f5s n ASN 159 Ca 0.12 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 3f5s n ASN 159 Cb 0.29 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.79 3f5s n ASN 159 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3f5s n TRP 160 N -2.00 0.00 0.00 3.10 7.02 -1.05 -1.13 117.44 123.38 3f5s n TRP 160 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3f5s n TRP 160 Cb 0.00 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 3f5s n TRP 160 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3f5s n GLY 161 N 1.28 0.57 0.31 6.99 0.00 -1.26 -1.60 105.19 111.47 3f5s n GLY 161 Ca 0.15 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 3f5s n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5s h ALA 162 N 0.00 1.13 -0.22 4.61 0.00 -1.89 -1.99 119.26 120.90 3f5s h ALA 162 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3f5s h ALA 162 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3f5s h ALA 162 CO 0.00 0.59 0.12 -0.92 0.00 0.00 0.00 179.25 179.04 3f5s h TYR 163 N 0.89 0.23 -0.10 0.00 3.20 -1.52 0.69 116.97 120.36 3f5s h TYR 163 Ca 0.19 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.10 3f5s h TYR 163 Cb 0.32 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3f5s h TYR 163 CO 0.02 0.13 -0.07 0.00 -1.64 0.00 0.00 178.16 176.61 3f5s h ALA 164 N 1.10 0.02 -0.88 1.82 0.00 -0.99 0.38 119.26 120.71 3f5s h ALA 164 Ca 0.09 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3f5s h ALA 164 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3f5s h ALA 164 CO -0.05 -0.53 0.54 0.00 0.00 0.00 0.00 179.25 179.21 3f5s h ALA 165 N 1.02 1.26 -0.05 0.00 0.00 -1.13 -0.43 119.26 119.93 3f5s h ALA 165 Ca 0.06 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3f5s h ALA 165 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3f5s h ALA 165 CO -0.14 0.21 -0.64 0.66 0.00 0.00 0.00 179.25 179.34 3f5s h SER 166 N 0.92 0.22 0.97 0.00 4.64 -0.37 -1.25 113.55 118.67 3f5s h SER 166 Ca 0.41 -0.13 -0.21 0.00 -0.47 0.00 0.00 61.79 61.39 3f5s h SER 166 Cb 0.31 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3f5s h SER 166 CO -0.22 0.80 -1.05 0.11 -0.87 0.00 0.00 176.83 175.60 3f5s h LYS 167 N 0.14 0.00 -0.38 4.77 1.79 -0.37 -1.13 116.57 121.39 3f5s h LYS 167 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3f5s h LYS 167 Cb 1.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 3f5s h LYS 167 CO 0.10 0.94 0.19 0.74 -1.08 0.00 0.00 179.45 180.34 3f5s h PHE 168 N 0.00 0.53 -0.74 -1.35 -1.00 -1.04 -1.32 116.94 112.02 3f5s h PHE 168 Ca -0.03 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.78 3f5s h PHE 168 Cb 1.78 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 41.13 3f5s h PHE 168 CO 0.00 0.43 0.48 0.00 -1.61 0.00 0.00 178.31 177.62 3f5s h ALA 169 N 1.05 1.63 -0.39 2.45 0.00 -1.11 -1.23 119.26 121.65 3f5s h ALA 169 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3f5s h ALA 169 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3f5s h ALA 169 CO -0.02 0.27 0.08 1.15 0.00 0.00 0.00 179.25 180.74 3f5s h THR 170 N 0.83 1.23 -0.88 0.00 2.02 -0.84 0.33 112.91 115.60 3f5s h THR 170 Ca 0.31 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3f5s h THR 170 Cb 0.16 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3f5s h THR 170 CO -0.10 0.28 0.58 -0.33 0.37 0.00 0.00 175.52 176.32 3f5s h GLU 171 N 0.49 1.11 -0.26 6.66 4.39 -0.70 -0.29 114.58 125.98 3f5s h GLU 171 Ca 0.12 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 3f5s h GLU 171 Cb 0.33 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3f5s h GLU 171 CO 0.00 0.73 -0.10 0.78 -1.16 0.00 0.00 179.01 179.26 3f5s h GLY 172 N 1.14 0.58 0.86 -3.84 0.00 -0.84 -1.05 103.07 99.92 3f5s h GLY 172 Ca 0.34 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3f5s h GLY 172 CO -0.10 0.46 0.32 -0.33 0.00 0.00 0.00 176.54 176.89 3f5s h MET 173 N 0.27 0.61 -0.62 4.80 2.86 -0.64 -0.62 114.93 121.59 3f5s h MET 173 Ca 0.06 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3f5s h MET 173 Cb 0.60 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 3f5s h MET 173 CO 0.03 0.40 0.35 1.98 1.06 0.00 0.00 176.91 180.74 3f5s h MET 174 N 0.63 0.64 -0.48 1.72 -1.53 -0.78 -0.84 114.93 114.28 3f5s h MET 174 Ca 0.22 -0.04 -0.13 0.00 -3.44 0.00 0.00 59.70 56.31 3f5s h MET 174 Cb 0.03 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 30.92 3f5s h MET 174 CO -0.10 0.42 -0.20 1.96 0.14 0.00 0.00 176.91 179.13 3f5s h GLN 175 N 0.66 0.98 0.03 0.39 4.20 -0.55 0.66 115.11 121.47 3f5s h GLN 175 Ca 0.27 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3f5s h GLN 175 Cb 0.14 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3f5s h GLN 175 CO -0.16 1.08 -0.01 0.28 -0.67 0.00 0.00 178.83 179.35 3f5s h VAL 176 N 0.85 1.02 -0.63 -0.54 2.07 -0.86 -1.89 116.25 116.27 3f5s h VAL 176 Ca 0.11 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3f5s h VAL 176 Cb 0.77 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3f5s h VAL 176 CO 0.06 0.03 0.38 -0.07 0.02 0.00 0.00 177.57 178.00 3f5s h LEU 177 N -0.10 0.61 -1.14 2.57 3.38 -0.96 -0.94 115.31 118.73 3f5s h LEU 177 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3f5s h LEU 177 Cb 0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3f5s h LEU 177 CO 0.01 0.42 0.58 0.00 0.09 0.00 0.00 178.44 179.54 3f5s h ALA 178 N 1.29 1.38 -0.29 1.53 0.00 -0.72 0.16 119.26 122.61 3f5s h ALA 178 Ca 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3f5s h ALA 178 Cb 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3f5s h ALA 178 CO -0.12 0.56 -0.02 0.22 0.00 0.00 0.00 179.25 179.90 3f5s h ASP 179 N 1.18 0.52 -0.21 0.00 3.58 -0.84 -2.43 116.42 118.22 3f5s h ASP 179 Ca 0.33 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 3f5s h ASP 179 Cb -0.11 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3f5s h ASP 179 CO -0.08 0.72 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.63 3f5s h GLU 180 N 0.31 0.53 -0.50 0.28 5.08 -0.63 -3.24 114.58 116.41 3f5s h GLU 180 Ca 0.08 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3f5s h GLU 180 Cb 0.46 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 3f5s h GLU 180 CO 0.02 0.59 0.12 0.66 -1.00 0.00 0.00 179.01 179.40 3f5s n TYR 181 N -4.25 1.62 -1.57 4.33 4.01 -0.01 -5.00 117.16 116.30 3f5s n TYR 181 Ca 0.01 -1.36 -0.52 0.00 -0.16 0.00 0.00 57.90 55.87 3f5s n TYR 181 Cb 0.27 -0.55 -0.06 0.00 -0.31 0.00 0.00 39.34 38.69 3f5s n TYR 181 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3f5s n GLN 182 N -0.76 0.97 -1.17 -0.72 6.02 -0.92 -1.11 117.38 119.70 3f5s n GLN 182 Ca 0.36 0.35 -0.06 0.00 -0.01 0.00 0.00 57.00 57.64 3f5s n GLN 182 Cb 1.17 -1.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.46 3f5s n GLN 182 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3f5s n GLN 183 N 2.24 -1.23 0.00 -1.09 1.13 -1.26 -4.77 117.38 112.40 3f5s n GLN 183 Ca 0.18 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 3f5s n GLN 183 Cb 0.18 -4.67 0.00 0.00 0.11 0.00 0.00 30.24 25.86 3f5s n GLN 183 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3f5s n ARG 184 N -1.16 0.00 -4.17 -1.09 1.74 -0.27 -5.10 116.66 106.62 3f5s n ARG 184 Ca -0.06 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.87 3f5s n ARG 184 Cb 0.40 -0.49 -0.11 0.00 -1.02 0.00 0.00 32.46 31.23 3f5s n ARG 184 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3f5s s LEU 185 N -4.93 2.37 -0.16 0.55 1.43 -0.53 -4.34 118.68 113.07 3f5s s LEU 185 Ca 0.00 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 3f5s s LEU 185 Cb 0.00 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 3f5s s LEU 185 CO 0.00 -0.22 0.44 -0.13 0.23 0.00 0.00 176.35 176.66 3f5s s ARG 186 N -2.53 4.26 -0.10 1.70 0.52 -0.19 -4.61 118.95 117.99 3f5s s ARG 186 Ca 0.03 0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 55.55 3f5s s ARG 186 Cb -0.05 -3.49 0.04 0.00 0.52 0.00 0.00 34.95 31.97 3f5s s ARG 186 CO 0.01 0.06 0.01 0.08 0.02 0.00 0.00 175.30 175.47 3f5s s VAL 187 N 0.98 0.40 0.22 3.52 1.01 -1.26 -0.59 120.40 124.68 3f5s s VAL 187 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 3f5s s VAL 187 Cb -0.15 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3f5s s VAL 187 CO 0.09 0.14 0.33 0.20 0.00 0.00 0.00 175.10 175.86 3f5s s ASN 188 N 1.95 0.01 0.11 3.32 0.01 -0.64 0.17 114.94 119.87 3f5s s ASN 188 Ca 0.04 -1.07 0.11 0.00 -0.71 0.00 0.00 52.86 51.22 3f5s s ASN 188 Cb -0.13 0.49 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 3f5s s ASN 188 CO -0.06 -1.00 -0.27 0.00 -1.51 0.00 0.00 177.10 174.26 3f5s s ILE 190 N -1.01 2.80 -0.42 0.00 1.01 0.30 -1.03 121.20 122.85 3f5s s ILE 190 Ca 0.13 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3f5s s ILE 190 Cb -0.10 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.24 3f5s s ILE 190 CO 0.05 0.53 0.40 0.21 0.00 0.00 0.00 174.94 176.13 3f5s s ASN 191 N 0.40 6.17 0.56 3.58 2.47 0.67 -0.43 114.94 128.36 3f5s s ASN 191 Ca -0.12 -0.76 0.34 0.00 0.42 0.00 0.00 52.86 52.74 3f5s s ASN 191 Cb -0.16 -2.21 1.55 0.00 -1.45 0.00 0.00 41.25 38.98 3f5s s ASN 191 CO 0.06 -0.55 2.06 1.55 -3.72 0.00 0.00 177.10 176.49 3f5s h PRO 192 N 8.71 0.00 0.00 0.43 0.13 -1.86 -0.21 132.00 139.20 3f5s h PRO 192 Ca -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3f5s h PRO 192 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3f5s h PRO 192 CO 0.78 0.04 -0.01 0.41 -0.23 0.00 0.00 178.00 179.00 3f5s n GLY 193 N -0.28 -2.22 3.69 1.56 0.00 -1.26 -4.47 105.19 102.22 3f5s n GLY 193 Ca -0.01 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3f5s n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f5s s GLY 194 N -1.87 1.80 0.16 -0.02 0.00 -1.26 -5.00 107.32 101.13 3f5s s GLY 194 Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 44.72 45.74 3f5s s GLY 194 CO 0.00 2.58 -0.11 -1.08 0.00 0.00 0.00 173.10 174.49 3f5s s THR 195 N 2.35 1.33 0.00 0.90 -1.32 -1.26 -4.28 115.64 113.36 3f5s s THR 195 Ca 0.66 -2.10 -0.01 0.00 -1.21 0.00 0.00 61.69 59.03 3f5s s THR 195 Cb -0.34 -1.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.72 3f5s s THR 195 CO 0.28 -0.70 0.81 -1.14 -2.21 0.00 0.00 174.62 171.65 3f5s n ARG 196 N -0.25 0.27 0.00 7.08 3.00 -0.07 -4.95 116.66 121.74 3f5s n ARG 196 Ca -0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 3f5s n ARG 196 Cb 0.61 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.53 3f5s n ARG 196 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3f5s n THR 197 N 2.64 0.00 -1.56 5.15 5.66 -1.26 -4.90 114.28 120.01 3f5s n THR 197 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 3f5s n THR 197 Cb 0.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 3f5s n THR 197 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3f5s n PRO 209 N 0.00 -4.30 0.00 1.09 -0.02 -1.26 -4.88 135.00 125.63 3f5s n PRO 209 Ca 0.00 3.26 0.08 0.00 -2.02 0.00 0.00 63.50 64.83 3f5s n PRO 209 Cb 0.00 -3.86 0.47 0.00 -0.02 0.00 0.00 33.50 30.09 3f5s n PRO 209 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3f5s n GLN 210 N -1.68 0.44 0.12 -0.52 6.02 -1.26 -1.52 117.38 118.98 3f5s n GLN 210 Ca 0.00 0.04 0.05 0.00 -0.01 0.00 0.00 57.00 57.08 3f5s n GLN 210 Cb 0.22 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.99 3f5s n GLN 210 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3f5s h LYS 211 N 0.00 0.00 -6.22 -1.09 3.11 -2.03 -3.47 116.57 106.87 3f5s h LYS 211 Ca 0.00 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.32 3f5s h LYS 211 Cb 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 3f5s h LYS 211 CO 0.00 0.24 -0.36 -0.51 -2.81 0.00 0.00 179.45 176.01 3f5s s LEU 212 N -5.98 4.24 0.63 5.20 1.43 -0.57 -5.09 118.68 118.52 3f5s s LEU 212 Ca 0.02 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 3f5s s LEU 212 Cb 0.08 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 3f5s s LEU 212 CO 0.76 -0.06 1.03 -0.54 0.23 0.00 0.00 176.35 177.77 3f5s s LYS 213 N -3.54 3.46 0.39 1.70 1.02 -1.26 -4.73 119.74 116.78 3f5s s LYS 213 Ca 0.37 0.85 0.02 0.00 0.02 0.00 0.00 55.97 57.23 3f5s s LYS 213 Cb -0.10 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 3f5s s LYS 213 CO 0.30 -0.68 0.59 0.95 -0.92 0.00 0.00 175.35 175.58 3f5s s THR 214 N -3.04 4.36 0.31 2.17 -4.23 -1.26 -0.89 115.64 113.06 3f5s s THR 214 Ca 0.57 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 3f5s s THR 214 Cb -0.12 -3.59 0.30 0.00 1.34 0.00 0.00 72.50 70.44 3f5s s THR 214 CO 0.51 -0.36 1.79 -0.65 -0.54 0.00 0.00 174.62 175.37 3f5s h PRO 215 N 0.62 0.75 -0.87 3.99 0.11 -1.90 -0.39 132.00 134.30 3f5s h PRO 215 Ca -0.47 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.69 3f5s h PRO 215 Cb 1.24 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 3f5s h PRO 215 CO 0.58 0.50 0.56 0.00 -0.21 0.00 0.00 178.00 179.42 3f5s h ALA 216 N 1.63 1.66 0.00 -0.75 0.00 -1.94 -2.31 119.26 117.55 3f5s h ALA 216 Ca 0.56 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 3f5s h ALA 216 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3f5s h ALA 216 CO -0.35 0.16 -0.21 -0.44 0.00 0.00 0.00 179.25 178.41 3f5s h ASP 217 N 0.85 0.00 -0.44 0.00 3.32 -1.44 -2.91 116.42 115.80 3f5s h ASP 217 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3f5s h ASP 217 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3f5s h ASP 217 CO -0.17 0.21 0.00 2.30 -1.72 0.00 0.00 179.24 179.87 3f5s n ILE 218 N -3.83 0.58 0.23 0.35 -5.35 -0.87 -4.52 119.36 105.93 3f5s n ILE 218 Ca -0.02 -0.75 0.07 0.00 -0.27 0.00 0.00 62.75 61.79 3f5s n ILE 218 Cb 0.31 0.78 0.54 0.00 -1.74 0.00 0.00 39.64 39.54 3f5s n ILE 218 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 3f5s h MET 219 N 4.12 0.00 -0.89 6.28 2.86 -1.46 -3.29 114.93 122.55 3f5s h MET 219 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3f5s h MET 219 Cb 0.92 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.49 3f5s h MET 219 CO 0.00 0.21 0.50 -1.35 1.06 0.00 0.00 176.91 177.33 3f5s h PRO 220 N 0.00 0.72 -0.41 -0.22 0.11 -1.83 -0.51 132.00 129.86 3f5s h PRO 220 Ca -0.00 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3f5s h PRO 220 Cb 0.44 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3f5s h PRO 220 CO 0.03 0.47 -0.25 1.25 -0.21 0.00 0.00 178.00 179.29 3f5s h LEU 221 N 0.74 0.88 -0.96 2.35 5.85 -1.88 -0.35 115.31 121.93 3f5s h LEU 221 Ca 0.47 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3f5s h LEU 221 Cb 0.60 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3f5s h LEU 221 CO -0.32 1.09 0.63 1.88 -0.34 0.00 0.00 178.44 181.37 3f5s h TYR 222 N 0.74 1.17 -0.11 1.25 0.05 -1.31 -1.93 116.97 116.82 3f5s h TYR 222 Ca 0.09 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3f5s h TYR 222 Cb 0.80 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 3f5s h TYR 222 CO 0.05 0.67 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.68 3f5s h LEU 223 N 1.21 0.26 -0.87 3.88 3.38 -0.94 -3.25 115.31 118.98 3f5s h LEU 223 Ca 0.38 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3f5s h LEU 223 Cb 0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3f5s h LEU 223 CO -0.12 0.66 0.55 -0.25 0.09 0.00 0.00 178.44 179.36 3f5s h TRP 224 N -0.13 1.02 0.00 1.13 7.01 -0.81 -1.37 115.95 122.79 3f5s h TRP 224 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 3f5s h TRP 224 Cb 0.58 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 3f5s h TRP 224 CO 0.08 0.53 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.15 3f5s h LEU 225 N 1.01 0.00 0.00 0.65 3.38 -1.43 -2.99 115.31 115.93 3f5s h LEU 225 Ca 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 3f5s h LEU 225 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3f5s h LEU 225 CO -0.17 0.04 -1.65 0.23 0.09 0.00 0.00 178.44 176.98 3f5s n MET 226 N -3.16 0.64 -2.25 1.13 2.81 -0.68 -4.89 117.12 110.72 3f5s n MET 226 Ca 0.00 -0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.62 3f5s n MET 226 Cb 0.30 -1.66 0.08 0.00 -0.71 0.00 0.00 33.22 31.22 3f5s n MET 226 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3f5s s GLY 227 N -4.63 1.71 0.42 3.03 0.00 -0.60 -4.98 107.32 102.28 3f5s s GLY 227 Ca -0.05 -1.05 0.30 0.00 0.00 0.00 0.00 44.72 43.91 3f5s s GLY 227 CO 0.85 -0.62 1.88 -0.55 0.00 0.00 0.00 173.10 174.66 3f5s h ASP 228 N -0.61 0.00 0.35 1.64 3.32 -1.84 -2.94 116.42 116.34 3f5s h ASP 228 Ca -0.43 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3f5s h ASP 228 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3f5s h ASP 228 CO 0.56 0.00 -0.04 0.44 -1.72 0.00 0.00 179.24 178.48 3f5s h ASP 229 N 0.00 0.00 -0.66 6.45 3.32 -1.94 -1.87 116.42 121.72 3f5s h ASP 229 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3f5s h ASP 229 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3f5s h ASP 229 CO 0.00 0.04 0.00 -1.54 -1.72 0.00 0.00 179.24 176.02 3f5s n SER 230 N -3.35 4.77 -0.02 6.45 3.41 -1.11 -4.66 113.62 119.11 3f5s n SER 230 Ca -0.02 -2.44 0.14 0.00 -0.26 0.00 0.00 58.87 56.30 3f5s n SER 230 Cb 0.18 -0.58 0.58 0.00 -0.26 0.00 0.00 64.21 64.13 3f5s n SER 230 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3f5s h ARG 231 N 4.13 0.22 -0.80 4.33 3.08 -1.51 -0.57 114.38 123.26 3f5s h ARG 231 Ca 0.00 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3f5s h ARG 231 Cb 1.45 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 31.34 3f5s h ARG 231 CO 0.23 0.15 0.23 0.54 -1.07 0.00 0.00 179.97 180.04 3f5s n ARG 232 N -4.45 3.32 -3.99 0.04 1.74 -1.26 -4.86 116.66 107.20 3f5s n ARG 232 Ca 0.09 -2.56 -0.34 0.00 -0.77 0.00 0.00 57.85 54.27 3f5s n ARG 232 Cb 0.43 -2.07 -0.15 0.00 -1.02 0.00 0.00 32.46 29.65 3f5s n ARG 232 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3f5s s LYS 233 N -2.57 2.91 0.03 5.56 -0.14 -0.22 -5.10 119.74 120.21 3f5s s LYS 233 Ca 0.46 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 54.06 3f5s s LYS 233 Cb 0.37 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 3f5s s LYS 233 CO 0.11 -0.34 0.18 -0.08 -0.76 0.00 0.00 175.35 174.46 3f5s s THR 234 N 1.33 0.10 0.00 2.17 -1.32 -1.26 -4.49 115.64 112.17 3f5s s THR 234 Ca 0.01 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 3f5s s THR 234 Cb -0.16 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 3f5s s THR 234 CO -0.06 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 3f5s n GLY 235 N 0.88 0.54 3.54 6.08 0.00 0.13 -4.94 105.19 111.42 3f5s n GLY 235 Ca -0.20 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 3f5s n GLY 235 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3f5s s MET 236 N -0.36 1.92 -0.10 1.61 1.00 -1.25 -4.90 119.30 117.22 3f5s s MET 236 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 55.69 54.28 3f5s s MET 236 Cb 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 34.83 32.81 3f5s s MET 236 CO 0.00 0.39 -0.22 -0.08 0.00 0.00 0.00 175.02 175.11 3f5s s THR 237 N -1.98 2.25 0.05 2.05 -1.32 -1.26 -1.05 115.64 114.38 3f5s s THR 237 Ca 0.26 -0.96 0.09 0.00 -1.21 0.00 0.00 61.69 59.88 3f5s s THR 237 Cb -0.07 -1.87 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 3f5s s THR 237 CO 0.15 0.56 -0.26 -0.36 -2.21 0.00 0.00 174.62 172.50 3f5s s PHE 238 N 0.21 2.29 -0.21 9.09 0.08 -0.20 -4.96 117.98 124.28 3f5s s PHE 238 Ca -0.14 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.37 3f5s s PHE 238 Cb -0.17 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3f5s s PHE 238 CO 0.07 0.14 0.31 -0.51 -0.10 0.00 0.00 175.22 175.13 3f5s s ASP 239 N -1.29 6.33 0.51 1.36 1.01 -1.26 -0.24 116.67 123.08 3f5s s ASP 239 Ca 0.12 0.38 0.32 0.00 0.71 0.00 0.00 52.55 54.07 3f5s s ASP 239 Cb -0.10 -2.18 1.27 0.00 1.01 0.00 0.00 42.92 42.92 3f5s s ASP 239 CO 0.02 -0.02 1.93 0.00 0.21 0.00 0.00 175.17 177.32 3f5s h ALA 240 N 7.37 1.00 -3.00 5.23 0.00 -1.28 -3.41 119.26 125.17 3f5s h ALA 240 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3f5s h ALA 240 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3f5s h ALA 240 CO 0.70 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.99 3f5s n GLN 241 N -2.98 0.00 0.00 0.00 6.02 -1.26 -4.81 117.38 114.35 3f5s n GLN 241 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3f5s n GLN 241 Cb 0.31 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.57 3f5s n GLN 241 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70