#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9p n PRO 2 N 5.33 1.68 -0.34 0.00 -0.02 -1.26 -4.84 135.00 135.55 3f9p n PRO 2 Ca -0.03 0.61 0.23 0.00 -2.02 0.00 0.00 63.50 62.29 3f9p n PRO 2 Cb 0.48 -2.34 0.49 0.00 -0.02 0.00 0.00 33.50 32.11 3f9p n PRO 2 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3f9p h GLU 3 N 6.33 0.39 -4.03 -0.52 3.07 -2.03 -3.38 114.58 114.41 3f9p h GLU 3 Ca -0.47 -0.02 -0.32 0.00 -0.50 0.00 0.00 59.36 58.05 3f9p h GLU 3 Cb 1.29 -0.09 -0.30 0.00 -0.84 0.00 0.00 28.75 28.81 3f9p h GLU 3 CO 0.88 0.26 -0.75 -1.14 -1.40 0.00 0.00 179.01 176.86 3f9p s GLN 4 N -5.56 0.37 0.05 2.33 0.74 -1.26 -5.16 119.66 111.17 3f9p s GLN 4 Ca -0.09 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.25 3f9p s GLN 4 Cb 0.27 -0.41 -0.03 0.00 1.10 0.00 0.00 33.01 33.94 3f9p s GLN 4 CO 0.80 0.01 -0.06 0.16 -0.55 0.00 0.00 175.29 175.64 3f9p s ASP 5 N 0.31 0.79 -0.21 6.67 3.84 -1.26 -5.07 116.67 121.73 3f9p s ASP 5 Ca -0.03 -0.67 0.13 0.00 -0.00 0.00 0.00 52.55 51.98 3f9p s ASP 5 Cb -0.06 0.07 -0.22 0.00 -1.38 0.00 0.00 42.92 41.33 3f9p s ASP 5 CO -0.01 -0.30 -0.02 0.29 -0.00 0.00 0.00 175.17 175.13 3f9p n LYS 6 N 1.07 0.73 -4.46 2.11 5.02 -1.26 -5.05 118.16 116.32 3f9p n LYS 6 Ca -0.20 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 3f9p n LYS 6 Cb 0.56 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 3f9p n LYS 6 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3f9p s TYR 7 N -2.49 2.04 0.50 2.13 2.02 -1.26 -5.14 117.35 115.15 3f9p s TYR 7 Ca -0.17 -0.79 -0.21 0.00 -0.37 0.00 0.00 57.07 55.53 3f9p s TYR 7 Cb 0.07 -1.27 -0.07 0.00 -0.40 0.00 0.00 41.96 40.29 3f9p s TYR 7 CO 0.74 0.20 1.13 1.03 -1.57 0.00 0.00 175.55 177.08 3f9p s ARG 8 N -3.79 3.60 0.48 -0.62 0.52 -1.26 -5.06 118.95 112.83 3f9p s ARG 8 Ca 0.33 1.64 -0.16 0.00 -0.52 0.00 0.00 55.73 57.02 3f9p s ARG 8 Cb 0.07 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 3f9p s ARG 8 CO 0.14 -0.65 0.94 0.95 0.02 0.00 0.00 175.30 176.70 3f9p s THR 9 N -1.70 4.57 0.17 0.02 -4.23 -1.26 -5.00 115.64 108.20 3f9p s THR 9 Ca 0.68 1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 62.21 3f9p s THR 9 Cb -0.25 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 69.92 3f9p s THR 9 CO 0.29 -0.62 1.62 0.40 -0.54 0.00 0.00 174.62 175.77 3f9p h ILE 10 N 1.05 1.27 0.00 2.99 1.08 -1.97 -3.04 117.51 118.88 3f9p h ILE 10 Ca -0.47 -1.14 -0.10 0.00 -0.39 0.00 0.00 64.86 62.76 3f9p h ILE 10 Cb 1.18 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 3f9p h ILE 10 CO 0.62 0.41 -0.46 0.71 -0.69 0.00 0.00 178.15 178.73 3f9p h THR 11 N 0.87 1.05 0.00 -0.27 1.35 -1.98 -3.47 112.91 110.45 3f9p h THR 11 Ca 0.16 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 3f9p h THR 11 Cb 0.56 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3f9p h THR 11 CO 0.03 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3f9p n GLY 12 N 0.34 0.91 3.75 5.82 0.00 -1.15 -0.38 105.19 114.48 3f9p n GLY 12 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3f9p n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3f9p s MET 13 N -0.93 2.74 -0.48 1.61 0.00 -1.26 -3.57 119.30 117.40 3f9p s MET 13 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 55.69 57.34 3f9p s MET 13 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 34.83 32.91 3f9p s MET 13 CO 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 175.02 173.67 3f9p h ASN 15 N 0.00 0.29 -3.78 0.00 -0.73 -1.78 -3.38 115.58 106.20 3f9p h ASN 15 Ca -0.09 -0.31 -0.66 0.00 1.87 0.00 0.00 56.30 57.11 3f9p h ASN 15 Cb 1.07 -0.08 -0.18 0.00 0.27 0.00 0.00 38.32 39.40 3f9p h ASN 15 CO 0.13 0.53 -0.47 0.21 -0.37 0.00 0.00 177.43 177.46 3f9p s ASN 16 N -5.80 6.06 0.19 1.15 3.84 -1.26 -5.00 114.94 114.11 3f9p s ASN 16 Ca -0.14 -0.23 0.06 0.00 0.21 0.00 0.00 52.86 52.76 3f9p s ASN 16 Cb 0.06 -2.14 0.06 0.00 -0.55 0.00 0.00 41.25 38.68 3f9p s ASN 16 CO 0.72 -0.17 1.43 0.03 -2.79 0.00 0.00 177.10 176.32 3f9p h ARG 17 N 8.43 0.08 -0.27 0.43 3.08 -1.95 -2.41 114.38 121.77 3f9p h ARG 17 Ca -0.33 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.45 3f9p h ARG 17 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3f9p h ARG 17 CO 0.61 0.86 -0.57 0.00 -1.07 0.00 0.00 179.97 179.80 3f9p h ARG 18 N 0.05 0.87 -3.08 0.04 3.08 -1.96 -3.39 114.38 110.00 3f9p h ARG 18 Ca -0.02 -0.57 -0.61 0.00 0.07 0.00 0.00 59.98 58.85 3f9p h ARG 18 Cb 1.44 0.07 -0.40 0.00 0.08 0.00 0.00 29.97 31.16 3f9p h ARG 18 CO 0.12 1.20 -0.75 0.45 -1.07 0.00 0.00 179.97 179.92 3f9p s SER 19 N -6.96 3.69 0.63 7.04 0.15 -1.22 -5.02 113.70 112.01 3f9p s SER 19 Ca -0.11 -2.43 0.40 0.00 0.70 0.00 0.00 55.95 54.51 3f9p s SER 19 Cb 0.10 -0.98 2.12 0.00 -1.71 0.00 0.00 66.02 65.55 3f9p s SER 19 CO 0.89 -0.29 2.27 -0.65 1.20 0.00 0.00 173.24 176.66 3f9p h PRO 20 N 6.98 0.00 0.00 5.44 0.11 -1.63 -2.71 132.00 140.18 3f9p h PRO 20 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3f9p h PRO 20 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3f9p h PRO 20 CO 0.47 0.01 -0.39 0.25 -0.21 0.00 0.00 178.00 178.13 3f9p n THR 21 N -3.19 0.06 -1.97 -1.15 -2.24 -1.26 -2.37 114.28 102.16 3f9p n THR 21 Ca -0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 3f9p n THR 21 Cb 0.13 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 3f9p n THR 21 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3f9p s LEU 22 N -3.21 4.23 0.00 3.22 1.43 -1.02 -1.86 118.68 121.47 3f9p s LEU 22 Ca 0.11 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3f9p s LEU 22 Cb 0.17 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.86 3f9p s LEU 22 CO 0.66 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.82 3f9p n GLY 23 N 4.33 2.14 3.78 -3.19 0.00 -1.26 -4.58 105.19 106.41 3f9p n GLY 23 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3f9p n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9p s ALA 24 N -2.36 2.47 0.68 4.61 0.00 -0.78 -4.82 121.76 121.56 3f9p s ALA 24 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 3f9p s ALA 24 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.83 3f9p s ALA 24 CO 0.00 -1.31 1.09 -1.54 0.00 0.00 0.00 175.76 174.00 3f9p s SER 25 N -2.80 5.15 -1.39 0.00 1.04 0.49 -4.05 113.70 112.13 3f9p s SER 25 Ca 0.65 1.87 -0.10 0.00 0.48 0.00 0.00 55.95 58.86 3f9p s SER 25 Cb -0.19 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.42 3f9p s SER 25 CO 0.44 -1.60 1.12 0.59 0.98 0.00 0.00 173.24 174.77 3f9p n ASN 26 N -2.67 -5.72 -4.36 7.02 3.02 -1.26 -5.02 115.26 106.26 3f9p n ASN 26 Ca 0.09 -0.61 -0.21 0.00 -0.03 0.00 0.00 54.58 53.83 3f9p n ASN 26 Cb 0.53 -4.75 -0.11 0.00 -0.61 0.00 0.00 39.78 34.84 3f9p n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f9p s ARG 27 N -6.34 1.36 0.50 3.52 1.81 -1.26 -5.13 118.95 113.41 3f9p s ARG 27 Ca 0.57 -1.54 -0.23 0.00 -1.72 0.00 0.00 55.73 52.81 3f9p s ARG 27 Cb -0.26 -1.32 -0.06 0.00 -0.45 0.00 0.00 34.95 32.85 3f9p s ARG 27 CO 0.76 0.25 1.30 0.00 -0.68 0.00 0.00 175.30 176.93 3f9p s ALA 28 N -2.49 2.95 0.57 2.13 0.00 -1.26 -4.99 121.76 118.67 3f9p s ALA 28 Ca 0.21 1.22 -0.20 0.00 0.00 0.00 0.00 51.96 53.19 3f9p s ALA 28 Cb -0.04 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3f9p s ALA 28 CO 0.08 -1.10 1.26 -0.06 0.00 0.00 0.00 175.76 175.94 3f9p s PHE 29 N -1.36 2.38 0.29 0.00 0.40 -1.26 -5.02 117.98 113.41 3f9p s PHE 29 Ca 0.67 1.47 -0.24 0.00 -0.60 0.00 0.00 56.93 58.23 3f9p s PHE 29 Cb -0.37 -3.59 -0.09 0.00 0.51 0.00 0.00 43.02 39.48 3f9p s PHE 29 CO 0.45 -2.42 0.88 0.54 0.70 0.00 0.00 175.22 175.37 3f9p s VAL 30 N -1.47 4.31 -0.18 -0.44 0.11 -1.26 -5.07 120.40 116.40 3f9p s VAL 30 Ca 0.75 1.68 -0.06 0.00 -2.93 0.00 0.00 61.98 61.41 3f9p s VAL 30 Cb -0.34 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 30.50 3f9p s VAL 30 CO 0.38 0.17 0.03 -0.13 -3.33 0.00 0.00 175.10 172.22 3f9p s ARG 31 N -2.00 3.84 0.20 1.54 1.81 -1.26 -4.97 118.95 118.10 3f9p s ARG 31 Ca 0.48 -0.42 0.22 0.00 -1.72 0.00 0.00 55.73 54.29 3f9p s ARG 31 Cb -0.18 -3.12 -0.01 0.00 -0.45 0.00 0.00 34.95 31.19 3f9p s ARG 31 CO 0.23 0.22 1.03 0.91 -0.68 0.00 0.00 175.30 177.01 3f9p n TRP 32 N 3.67 0.97 -4.12 -0.53 8.01 -1.26 -4.90 117.44 119.28 3f9p n TRP 32 Ca -0.17 0.29 -0.15 0.00 -1.31 0.00 0.00 57.50 56.16 3f9p n TRP 32 Cb 0.52 -0.97 -0.13 0.00 -2.01 0.00 0.00 31.31 28.73 3f9p n TRP 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3f9p s LEU 33 N -5.38 2.17 0.37 -0.99 1.43 -1.26 -5.14 118.68 109.88 3f9p s LEU 33 Ca -0.01 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 3f9p s LEU 33 Cb 0.09 -0.25 -0.11 0.00 0.03 0.00 0.00 46.19 45.96 3f9p s LEU 33 CO 0.79 -0.09 1.50 -2.65 0.23 0.00 0.00 176.35 176.14 3f9p n PRO 34 N 2.00 2.69 -2.16 1.29 -0.02 -1.26 -4.95 135.00 132.59 3f9p n PRO 34 Ca -0.19 0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 3f9p n PRO 34 Cb 0.56 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 3f9p n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f9p s ALA 35 N -1.00 3.10 -0.39 3.55 0.00 -1.26 -5.02 121.76 120.74 3f9p s ALA 35 Ca 0.54 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 3f9p s ALA 35 Cb -0.48 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.30 3f9p s ALA 35 CO 0.62 -0.74 0.17 -1.21 0.00 0.00 0.00 175.76 174.61 3f9p s GLU 36 N -2.46 2.29 0.21 0.00 2.02 -1.26 -4.98 118.70 114.53 3f9p s GLU 36 Ca 0.60 -1.57 0.11 0.00 0.02 0.00 0.00 54.97 54.13 3f9p s GLU 36 Cb -0.33 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 3f9p s GLU 36 CO 0.41 -0.93 -0.18 0.71 0.02 0.00 0.00 175.26 175.29 3f9p s TYR 37 N 1.26 2.40 0.16 1.61 2.02 -1.26 -4.76 117.35 118.78 3f9p s TYR 37 Ca 0.03 -0.31 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 3f9p s TYR 37 Cb -0.22 -1.14 0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3f9p s TYR 37 CO -0.01 0.56 1.81 1.49 -1.57 0.00 0.00 175.55 177.82 3f9p h GLU 38 N 2.84 0.52 0.00 -0.62 4.81 0.42 -2.58 114.58 119.97 3f9p h GLU 38 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3f9p h GLU 38 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3f9p h GLU 38 CO 0.53 0.34 -0.70 -0.40 -0.73 0.00 0.00 179.01 178.05 3f9p n ASP 39 N -4.83 0.63 0.00 1.04 3.85 -1.25 -4.97 116.55 111.02 3f9p n ASP 39 Ca 0.02 -0.36 0.00 0.00 -0.71 0.00 0.00 54.79 53.73 3f9p n ASP 39 Cb 0.05 0.48 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 3f9p n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3f9p n GLY 40 N 1.47 2.72 0.00 6.12 0.00 -0.97 -4.86 105.19 109.66 3f9p n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3f9p n GLY 40 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3f9p n PHE 41 N -0.87 0.00 0.04 1.61 -1.74 -1.26 -4.55 117.46 110.69 3f9p n PHE 41 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3f9p n PHE 41 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 3f9p n PHE 41 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3f9p n SER 42 N -0.25 -0.17 -4.72 5.98 2.88 -1.26 -5.03 113.62 111.06 3f9p n SER 42 Ca 0.00 0.15 -0.42 0.00 -1.33 0.00 0.00 58.87 57.28 3f9p n SER 42 Cb 0.00 0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 3f9p n SER 42 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3f9p s LEU 43 N -5.56 4.40 0.69 2.46 1.43 -1.26 -4.91 118.68 115.92 3f9p s LEU 43 Ca 0.00 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 3f9p s LEU 43 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3f9p s LEU 43 CO 0.00 -0.40 1.07 -2.16 0.23 0.00 0.00 176.35 175.09 3f9p s PRO 44 N 0.70 3.02 0.06 1.29 0.04 -1.26 0.99 135.00 139.84 3f9p s PRO 44 Ca 0.56 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 3f9p s PRO 44 Cb -0.29 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 3f9p s PRO 44 CO 0.31 -0.97 1.22 0.71 0.04 0.00 0.00 177.00 178.31 3f9p s TYR 45 N -3.20 3.39 0.00 0.56 1.51 -1.26 -2.72 117.35 115.63 3f9p s TYR 45 Ca 0.57 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.88 3f9p s TYR 45 Cb -0.12 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.28 3f9p s TYR 45 CO 0.54 -1.41 0.00 0.41 -1.11 0.00 0.00 175.55 173.97 3f9p n GLY 46 N 3.26 0.74 0.15 0.71 0.00 -1.26 -5.01 105.19 103.77 3f9p n GLY 46 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 3f9p n GLY 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3f9p h TRP 47 N 0.00 -0.28 -3.42 1.61 2.91 -1.90 -3.44 115.95 111.42 3f9p h TRP 47 Ca 0.00 -0.01 -0.59 0.00 1.13 0.00 0.00 58.89 59.42 3f9p h TRP 47 Cb 0.00 0.09 -0.10 0.00 -0.51 0.00 0.00 29.16 28.65 3f9p h TRP 47 CO 0.00 -0.17 -0.05 0.99 -1.03 0.00 0.00 178.44 178.18 3f9p s THR 48 N -2.54 5.12 0.26 2.65 2.01 -1.26 -5.04 115.64 116.83 3f9p s THR 48 Ca -0.04 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 3f9p s THR 48 Cb 0.00 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 3f9p s THR 48 CO 0.13 0.21 1.49 -2.84 -0.69 0.00 0.00 174.62 172.92 3f9p s PRO 49 N 1.38 4.22 0.00 4.92 0.02 -1.26 -2.97 135.00 141.32 3f9p s PRO 49 Ca 0.25 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3f9p s PRO 49 Cb -0.15 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3f9p s PRO 49 CO 0.10 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3f9p n GLY 50 N 2.23 1.65 3.63 0.52 0.00 -1.26 -5.02 105.19 106.94 3f9p n GLY 50 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3f9p n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f9p s VAL 51 N -2.37 4.57 0.27 1.61 1.01 -1.16 -5.02 120.40 119.31 3f9p s VAL 51 Ca 0.00 1.64 -0.24 0.00 0.00 0.00 0.00 61.98 63.39 3f9p s VAL 51 Cb 0.00 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 3f9p s VAL 51 CO 0.00 -0.42 0.84 -0.54 0.00 0.00 0.00 175.10 174.98 3f9p s LYS 52 N 3.49 4.46 -0.27 2.72 1.02 -1.26 -4.52 119.74 125.38 3f9p s LYS 52 Ca 0.43 1.13 -0.13 0.00 0.02 0.00 0.00 55.97 57.42 3f9p s LYS 52 Cb -0.13 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3f9p s LYS 52 CO 0.14 0.36 0.27 0.50 -0.92 0.00 0.00 175.35 175.71 3f9p s ARG 53 N -1.91 4.00 -1.42 1.68 3.52 0.56 -4.53 118.95 120.85 3f9p s ARG 53 Ca 0.46 -0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 55.81 3f9p s ARG 53 Cb -0.18 -3.64 0.07 0.00 -1.56 0.00 0.00 34.95 29.64 3f9p s ARG 53 CO 0.23 -0.18 0.67 -1.71 -0.81 0.00 0.00 175.30 173.49 3f9p n ASN 54 N 5.05 -4.43 0.00 -2.12 5.15 -1.26 -1.19 115.26 116.46 3f9p n ASN 54 Ca -0.12 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 3f9p n ASN 54 Cb 0.51 -3.61 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 3f9p n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f9p n GLY 55 N -1.39 1.02 3.26 8.20 0.00 -1.26 -5.04 105.19 109.97 3f9p n GLY 55 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3f9p n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f9p s PHE 56 N -3.07 1.78 0.38 1.61 0.08 -0.33 -5.04 117.98 113.39 3f9p s PHE 56 Ca 0.00 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 56.39 3f9p s PHE 56 Cb 0.00 -1.03 -0.10 0.00 -0.57 0.00 0.00 43.02 41.33 3f9p s PHE 56 CO 0.00 0.13 1.34 -2.14 -0.10 0.00 0.00 175.22 174.45 3f9p s PRO 57 N -1.46 4.11 -0.15 0.24 0.02 -1.26 -0.32 135.00 136.18 3f9p s PRO 57 Ca 0.07 2.26 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 3f9p s PRO 57 Cb -0.09 -2.89 -0.01 0.00 0.02 0.00 0.00 34.50 31.52 3f9p s PRO 57 CO 0.03 -0.41 1.20 0.08 -0.33 0.00 0.00 177.00 177.56 3f9p s VAL 58 N -1.19 4.37 0.34 3.83 1.01 -1.26 -4.82 120.40 122.67 3f9p s VAL 58 Ca 0.54 1.67 -0.26 0.00 0.00 0.00 0.00 61.98 63.92 3f9p s VAL 58 Cb -0.40 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 3f9p s VAL 58 CO 0.53 -0.11 1.02 0.00 0.00 0.00 0.00 175.10 176.54 3f9p s ALA 59 N 3.11 3.21 0.16 5.51 0.00 -1.26 -5.00 121.76 127.50 3f9p s ALA 59 Ca 0.53 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 3f9p s ALA 59 Cb -0.21 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3f9p s ALA 59 CO 0.15 -0.06 1.41 -0.51 0.00 0.00 0.00 175.76 176.74 3f9p s LEU 60 N -2.09 4.38 0.35 0.00 1.02 -1.26 -4.92 118.68 116.16 3f9p s LEU 60 Ca 0.51 2.44 0.04 0.00 0.02 0.00 0.00 54.13 57.15 3f9p s LEU 60 Cb -0.24 -3.60 0.69 0.00 0.02 0.00 0.00 46.19 43.07 3f9p s LEU 60 CO 0.30 -0.66 1.97 0.00 0.02 0.00 0.00 176.35 177.98 3f9p h ALA 61 N 6.18 1.64 -0.36 4.21 0.00 -1.99 -0.85 119.26 128.08 3f9p h ALA 61 Ca -0.43 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 3f9p h ALA 61 Cb 1.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3f9p h ALA 61 CO 0.84 0.27 -0.32 -0.09 0.00 0.00 0.00 179.25 179.95 3f9p h ARG 62 N 0.81 0.80 -0.41 0.00 9.65 -1.99 -2.33 114.38 120.91 3f9p h ARG 62 Ca 0.29 -0.37 -0.10 0.00 -1.10 0.00 0.00 59.98 58.70 3f9p h ARG 62 Cb 0.14 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 3f9p h ARG 62 CO -0.09 1.00 -0.14 0.00 2.80 0.00 0.00 179.97 183.55 3f9p h ALA 63 N 0.97 0.99 -0.47 2.80 0.00 -1.65 -0.68 119.26 121.22 3f9p h ALA 63 Ca 0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3f9p h ALA 63 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3f9p h ALA 63 CO 0.08 0.60 -0.13 0.28 0.00 0.00 0.00 179.25 180.08 3f9p h VAL 64 N 0.68 1.26 -0.52 0.00 2.07 -1.17 -2.67 116.25 115.90 3f9p h VAL 64 Ca 0.11 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 3f9p h VAL 64 Cb 0.61 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3f9p h VAL 64 CO 0.04 0.43 0.01 -1.28 0.02 0.00 0.00 177.57 176.79 3f9p h SER 65 N 0.78 0.84 -0.13 0.57 0.87 -1.08 -2.11 113.55 113.29 3f9p h SER 65 Ca 0.12 -0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 3f9p h SER 65 Cb 0.65 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3f9p h SER 65 CO 0.05 0.90 -0.25 0.78 -0.53 0.00 0.00 176.83 177.77 3f9p h ASN 66 N 0.81 0.58 0.26 6.23 2.35 -0.91 -1.48 115.58 123.43 3f9p h ASN 66 Ca 0.16 -0.20 -0.24 0.00 -0.55 0.00 0.00 56.30 55.46 3f9p h ASN 66 Cb 0.47 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3f9p h ASN 66 CO 0.02 0.82 -1.97 -0.62 -1.65 0.00 0.00 177.43 174.03 3f9p n GLU 67 N -4.11 0.66 -0.05 0.81 -0.58 -1.03 -4.36 120.64 111.98 3f9p n GLU 67 Ca -0.00 0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 3f9p n GLU 67 Cb 0.42 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 3f9p n GLU 67 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3f9p n ILE 68 N -2.75 0.53 0.05 -3.67 5.41 -0.80 -4.77 119.36 113.35 3f9p n ILE 68 Ca -0.20 -0.15 -0.17 0.00 1.00 0.00 0.00 62.75 63.24 3f9p n ILE 68 Cb 0.96 -1.49 -0.07 0.00 -0.71 0.00 0.00 39.64 38.33 3f9p n ILE 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3f9p h VAL 69 N -0.28 1.33 -3.26 1.39 2.07 -1.56 -3.46 116.25 112.48 3f9p h VAL 69 Ca -0.24 -2.31 -0.54 0.00 0.82 0.00 0.00 66.70 64.43 3f9p h VAL 69 Cb 1.23 2.36 0.09 0.00 -1.52 0.00 0.00 31.29 33.45 3f9p h VAL 69 CO -0.13 0.70 0.86 -1.14 0.02 0.00 0.00 177.57 177.89 3f9p n ARG 70 N -3.81 2.66 -3.57 1.57 0.63 -0.59 -5.03 116.66 108.51 3f9p n ARG 70 Ca -0.09 0.94 -0.15 0.00 -0.92 0.00 0.00 57.85 57.63 3f9p n ARG 70 Cb 0.85 -2.72 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 3f9p n ARG 70 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3f9p s PHE 71 N -0.05 -0.49 0.10 -0.14 -0.71 -1.26 -4.96 117.98 110.47 3f9p s PHE 71 Ca 0.64 0.69 -0.31 0.00 -1.04 0.00 0.00 56.93 56.91 3f9p s PHE 71 Cb -0.51 0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.56 3f9p s PHE 71 CO 0.49 -0.61 1.69 -2.14 -1.34 0.00 0.00 175.22 173.31 3f9p s PRO 72 N -1.89 4.18 0.27 1.99 0.02 -1.26 -4.92 135.00 133.40 3f9p s PRO 72 Ca -0.08 2.41 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 3f9p s PRO 72 Cb -0.01 -3.53 0.35 0.00 0.02 0.00 0.00 34.50 31.33 3f9p s PRO 72 CO 0.03 -0.75 1.93 1.15 -0.33 0.00 0.00 177.00 179.03 3f9p h THR 73 N 4.66 1.23 0.00 0.99 2.02 -2.02 -2.48 112.91 117.32 3f9p h THR 73 Ca -0.43 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3f9p h THR 73 Cb 1.21 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3f9p h THR 73 CO 0.93 0.24 0.00 -0.90 0.37 0.00 0.00 175.52 176.16 3f9p n ASP 74 N -4.38 0.00 -1.05 4.18 5.75 -1.26 -2.38 116.55 117.41 3f9p n ASP 74 Ca 0.10 -0.04 0.11 0.00 -0.01 0.00 0.00 54.79 54.94 3f9p n ASP 74 Cb 0.04 -0.25 0.18 0.00 -1.03 0.00 0.00 41.12 40.07 3f9p n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f9p n GLN 75 N -1.25 2.36 -1.58 0.11 6.02 -0.93 -5.02 117.38 117.09 3f9p n GLN 75 Ca 0.09 -2.15 -0.47 0.00 -0.01 0.00 0.00 57.00 54.46 3f9p n GLN 75 Cb 0.13 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 3f9p n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3f9p n LEU 76 N 1.36 1.62 -4.49 1.08 0.00 -1.00 -4.97 117.00 110.60 3f9p n LEU 76 Ca 0.17 1.16 -0.42 0.00 0.00 0.00 0.00 56.01 56.92 3f9p n LEU 76 Cb 0.57 -1.25 -0.10 0.00 0.00 0.00 0.00 43.42 42.64 3f9p n LEU 76 CO 0.15 -1.35 -0.10 -0.89 0.00 0.00 0.00 177.39 175.19 3f9p s THR 77 N -0.56 5.27 0.33 1.96 2.01 -1.26 -5.07 115.64 118.31 3f9p s THR 77 Ca 0.67 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 3f9p s THR 77 Cb -0.78 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 67.81 3f9p s THR 77 CO 0.55 -0.16 1.27 -2.84 -0.69 0.00 0.00 174.62 172.76 3f9p s PRO 78 N 1.70 4.39 -0.26 4.92 0.02 -1.26 -4.98 135.00 139.54 3f9p s PRO 78 Ca 0.06 2.15 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 3f9p s PRO 78 Cb -0.18 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.27 3f9p s PRO 78 CO 0.10 -0.13 1.10 0.34 -0.33 0.00 0.00 177.00 178.08 3f9p s ASP 79 N -0.56 6.99 0.42 2.53 3.68 -1.26 -4.92 116.67 123.55 3f9p s ASP 79 Ca 0.48 1.29 0.23 0.00 2.13 0.00 0.00 52.55 56.68 3f9p s ASP 79 Cb -0.38 -2.54 0.74 0.00 -1.45 0.00 0.00 42.92 39.29 3f9p s ASP 79 CO 0.51 -0.78 1.75 1.56 0.13 0.00 0.00 175.17 178.34 3f9p h GLN 80 N 7.90 0.00 -0.18 4.34 4.20 -2.03 -3.29 115.11 126.05 3f9p h GLN 80 Ca -0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3f9p h GLN 80 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3f9p h GLN 80 CO 1.00 0.25 0.00 0.39 -0.67 0.00 0.00 178.83 179.80 3f9p n GLU 81 N -3.34 2.92 -4.14 1.46 1.02 -1.26 -4.99 120.64 112.32 3f9p n GLU 81 Ca 0.01 -1.80 -0.15 0.00 -0.02 0.00 0.00 57.16 55.20 3f9p n GLU 81 Cb 0.49 -1.15 -0.14 0.00 -0.02 0.00 0.00 31.44 30.62 3f9p n GLU 81 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3f9p s ARG 82 N -1.03 0.42 0.53 3.49 1.81 -1.24 -5.16 118.95 117.78 3f9p s ARG 82 Ca 0.12 -0.25 -0.01 0.00 -1.72 0.00 0.00 55.73 53.87 3f9p s ARG 82 Cb 0.07 -0.38 0.02 0.00 -0.45 0.00 0.00 34.95 34.20 3f9p s ARG 82 CO 0.08 0.10 0.78 -1.54 -0.68 0.00 0.00 175.30 174.04 3f9p s SER 83 N -0.30 5.50 0.47 0.23 1.04 -1.26 -4.71 113.70 114.66 3f9p s SER 83 Ca 0.00 0.27 0.31 0.00 0.48 0.00 0.00 55.95 57.02 3f9p s SER 83 Cb -0.03 -1.29 1.32 0.00 0.10 0.00 0.00 66.02 66.11 3f9p s SER 83 CO -0.00 -1.00 1.92 0.25 0.98 0.00 0.00 173.24 175.39 3f9p h LEU 84 N 0.09 0.00 -1.47 2.42 5.85 -2.01 -2.12 115.31 118.07 3f9p h LEU 84 Ca -0.44 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 3f9p h LEU 84 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3f9p h LEU 84 CO 0.56 0.00 -0.27 -0.03 -0.34 0.00 0.00 178.44 178.37 3f9p h MET 85 N 0.00 0.00 -0.49 1.25 4.05 -1.98 -1.23 114.93 116.52 3f9p h MET 85 Ca 0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 3f9p h MET 85 Cb 0.43 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3f9p h MET 85 CO 0.00 0.27 0.10 0.35 0.23 0.00 0.00 176.91 177.85 3f9p h PHE 86 N 0.00 0.78 0.11 1.39 3.57 -1.77 -1.06 116.94 119.96 3f9p h PHE 86 Ca -0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3f9p h PHE 86 Cb 0.48 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3f9p h PHE 86 CO 0.00 0.67 -0.05 1.98 -2.23 0.00 0.00 178.31 178.68 3f9p h MET 87 N 0.73 -0.14 -0.35 1.11 4.05 -1.53 -3.28 114.93 115.51 3f9p h MET 87 Ca 0.16 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.52 3f9p h MET 87 Cb 0.30 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3f9p h MET 87 CO 0.00 0.32 -0.06 0.37 0.23 0.00 0.00 176.91 177.77 3f9p h GLN 88 N -0.66 0.58 -0.47 0.39 5.75 -1.07 -1.77 115.11 117.86 3f9p h GLN 88 Ca -0.01 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 3f9p h GLN 88 Cb 0.52 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3f9p h GLN 88 CO 0.02 0.65 -0.01 2.35 -2.65 0.00 0.00 178.83 179.19 3f9p h TRP 89 N 0.54 0.85 -0.27 3.99 2.91 -1.35 -2.43 115.95 120.19 3f9p h TRP 89 Ca 0.11 -0.12 0.04 0.00 1.13 0.00 0.00 58.89 60.05 3f9p h TRP 89 Cb 0.43 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.82 3f9p h TRP 89 CO 0.02 0.79 0.03 0.78 -1.03 0.00 0.00 178.44 179.03 3f9p h GLY 90 N 0.97 0.29 0.97 2.65 0.00 -1.38 0.35 103.07 106.92 3f9p h GLY 90 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3f9p h GLY 90 CO 0.02 -0.03 0.14 -1.61 0.00 0.00 0.00 176.54 175.06 3f9p h GLN 91 N 0.12 0.76 -0.67 4.80 4.15 -1.46 0.12 115.11 122.94 3f9p h GLN 91 Ca 0.13 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3f9p h GLN 91 Cb 0.14 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3f9p h GLN 91 CO -0.18 0.73 0.43 1.25 -1.93 0.00 0.00 178.83 179.13 3f9p h LEU 92 N 0.65 0.78 -0.58 -2.39 5.85 -1.09 -1.35 115.31 117.18 3f9p h LEU 92 Ca 0.15 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3f9p h LEU 92 Cb 0.30 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3f9p h LEU 92 CO -0.00 0.58 0.02 0.25 -0.34 0.00 0.00 178.44 178.95 3f9p h LEU 93 N 0.91 0.98 -1.45 2.25 5.85 -0.09 -2.73 115.31 121.02 3f9p h LEU 93 Ca 0.24 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3f9p h LEU 93 Cb -0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3f9p h LEU 93 CO -0.05 1.04 0.39 -0.78 -0.34 0.00 0.00 178.44 178.70 3f9p h ASP 94 N 0.89 0.62 0.24 1.25 3.58 -0.37 -1.29 116.42 121.34 3f9p h ASP 94 Ca 0.17 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3f9p h ASP 94 Cb 0.52 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3f9p h ASP 94 CO 0.03 0.43 0.00 1.41 -2.88 0.00 0.00 179.24 178.23 3f9p n HIS 95 N -4.46 0.00 -0.02 0.28 8.25 -0.54 -1.78 115.22 116.94 3f9p n HIS 95 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 3f9p n HIS 95 Cb 0.11 -0.12 -0.13 0.00 1.12 0.00 0.00 29.99 30.97 3f9p n HIS 95 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3f9p n ASP 96 N -1.12 0.80 -0.12 0.41 4.64 -0.51 -4.70 116.55 115.95 3f9p n ASP 96 Ca 0.19 0.38 -0.26 0.00 -1.38 0.00 0.00 54.79 53.72 3f9p n ASP 96 Cb 0.16 0.07 -0.11 0.00 -1.04 0.00 0.00 41.12 40.21 3f9p n ASP 96 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3f9p n LEU 97 N -2.99 1.96 -3.76 -2.67 4.77 -0.79 -5.03 117.00 108.50 3f9p n LEU 97 Ca -0.16 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 3f9p n LEU 97 Cb 1.01 -0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3f9p n LEU 97 CO 0.44 0.46 -0.03 1.51 -1.33 0.00 0.00 177.39 178.44 3f9p s ASP 98 N -7.16 -0.33 -0.05 -1.43 -4.77 -0.74 -5.12 116.67 97.06 3f9p s ASP 98 Ca -0.34 0.63 -0.02 0.00 -3.30 0.00 0.00 52.55 49.52 3f9p s ASP 98 Cb 0.10 0.61 0.03 0.00 -1.09 0.00 0.00 42.92 42.58 3f9p s ASP 98 CO 0.55 -0.12 0.03 0.12 0.70 0.00 0.00 175.17 176.45 3f9p s PHE 99 N 0.37 0.34 -0.45 2.11 5.36 -1.26 -4.62 117.98 119.83 3f9p s PHE 99 Ca -0.02 0.06 -0.17 0.00 -0.96 0.00 0.00 56.93 55.84 3f9p s PHE 99 Cb -0.03 -0.63 0.04 0.00 -0.34 0.00 0.00 43.02 42.05 3f9p s PHE 99 CO -0.02 -0.25 0.46 0.99 -1.46 0.00 0.00 175.22 174.94 3f9p s THR 100 N 2.08 5.08 0.65 0.12 2.01 -1.26 -5.06 115.64 119.26 3f9p s THR 100 Ca 0.05 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 3f9p s THR 100 Cb -0.12 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 3f9p s THR 100 CO -0.04 -0.53 1.10 -2.16 -0.69 0.00 0.00 174.62 172.30 3f9p s PRO 101 N 2.12 2.91 0.24 4.92 0.04 -1.26 -5.08 135.00 138.89 3f9p s PRO 101 Ca 0.11 1.33 0.10 0.00 0.04 0.00 0.00 61.00 62.58 3f9p s PRO 101 Cb -0.19 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3f9p s PRO 101 CO 0.12 -1.15 -0.18 -1.21 0.04 0.00 0.00 177.00 174.61 3f9p s GLU 102 N -4.13 1.51 0.35 4.56 2.02 -1.26 -5.13 118.70 116.62 3f9p s GLU 102 Ca 0.66 -1.65 -0.27 0.00 0.02 0.00 0.00 54.97 53.73 3f9p s GLU 102 Cb -0.19 -1.51 -0.09 0.00 0.10 0.00 0.00 34.13 32.43 3f9p s GLU 102 CO 0.41 0.28 1.13 -1.25 0.02 0.00 0.00 175.26 175.85 3f9p s PRO 103 N -3.42 4.31 0.99 0.39 0.04 -1.26 -5.05 135.00 130.99 3f9p s PRO 103 Ca 0.25 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 3f9p s PRO 103 Cb -0.04 -2.85 0.23 0.00 0.04 0.00 0.00 34.50 31.87 3f9p s PRO 103 CO 0.11 -0.08 1.34 0.00 0.04 0.00 0.00 177.00 178.41 3f9p n ALA 104 N 0.49 -1.54 -1.67 8.56 0.00 -1.26 -5.00 120.51 120.09 3f9p n ALA 104 Ca 0.02 -1.75 -0.44 0.00 0.00 0.00 0.00 53.44 51.27 3f9p n ALA 104 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 3f9p n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f9p n ALA 105 N -3.86 0.93 -0.88 0.00 0.00 -1.26 -4.39 120.51 111.05 3f9p n ALA 105 Ca -0.22 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3f9p n ALA 105 Cb 0.58 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3f9p n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f9p n ARG 106 N 1.41 0.00 0.00 0.00 5.12 -1.26 -5.33 116.66 116.60 3f9p n ARG 106 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3f9p n ARG 106 Cb 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 3f9p n ARG 106 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70