#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fry s SER 2 N 0.00 -0.63 -0.19 1.61 0.15 -1.26 -5.13 113.70 108.24 2fry s SER 2 Ca 0.00 1.17 -0.28 0.00 0.70 0.00 0.00 55.95 57.54 2fry s SER 2 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2fry s SER 2 CO 0.00 -0.20 0.99 -1.38 1.20 0.00 0.00 173.24 173.85 2fry s HIS 3 N 0.57 3.39 0.36 3.44 0.00 -1.26 -4.85 115.29 116.95 2fry s HIS 3 Ca -0.01 1.45 0.07 0.00 -3.00 0.00 0.00 55.06 53.57 2fry s HIS 3 Cb -0.05 -3.20 -0.07 0.00 -4.00 0.00 0.00 32.58 25.26 2fry s HIS 3 CO -0.06 -0.38 -0.02 0.08 -1.00 0.00 0.00 174.74 173.36 2fry s VAL 4 N 2.73 1.91 0.11 -5.38 1.01 -1.20 -4.31 120.40 115.28 2fry s VAL 4 Ca 0.44 -2.08 0.04 0.00 0.00 0.00 0.00 61.98 60.38 2fry s VAL 4 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2fry s VAL 4 CO 0.10 -0.10 -0.09 0.54 0.00 0.00 0.00 175.10 175.55 2fry s VAL 5 N -2.80 0.96 -0.03 2.92 0.11 0.79 0.26 120.40 122.60 2fry s VAL 5 Ca 0.34 -1.82 0.06 0.00 -2.93 0.00 0.00 61.98 57.62 2fry s VAL 5 Cb 0.07 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 2fry s VAL 5 CO 0.16 -0.67 -0.19 -1.58 -3.33 0.00 0.00 175.10 169.49 2fry s GLN 6 N -3.27 2.31 0.06 1.54 0.74 0.15 0.13 119.66 121.32 2fry s GLN 6 Ca 0.10 -0.81 -0.24 0.00 0.05 0.00 0.00 55.36 54.46 2fry s GLN 6 Cb 0.00 -2.23 -0.06 0.00 1.10 0.00 0.00 33.01 31.82 2fry s GLN 6 CO -0.01 0.59 0.72 0.95 -0.55 0.00 0.00 175.29 176.99 2fry s THR 7 N -0.71 4.70 -0.07 -0.34 -4.23 0.18 -1.13 115.64 114.05 2fry s THR 7 Ca 0.11 1.54 0.01 0.00 -1.18 0.00 0.00 61.69 62.17 2fry s THR 7 Cb -0.10 -4.07 -0.05 0.00 1.34 0.00 0.00 72.50 69.62 2fry s THR 7 CO 0.00 0.42 -0.04 0.18 -0.54 0.00 0.00 174.62 174.64 2fry n LEU 8 N 2.50 2.32 -4.25 4.79 7.99 -1.13 -4.77 117.00 124.44 2fry n LEU 8 Ca -0.04 -0.03 -0.14 0.00 -0.01 0.00 0.00 56.01 55.79 2fry n LEU 8 Cb 0.50 -0.16 -0.10 0.00 -0.11 0.00 0.00 43.42 43.55 2fry n LEU 8 CO 0.46 0.51 -0.37 -0.31 -1.51 0.00 0.00 177.39 176.17 2fry s TYR 9 N -2.14 1.24 0.92 -1.77 2.02 0.09 -4.98 117.35 112.74 2fry s TYR 9 Ca -0.08 -0.89 -0.15 0.00 -0.37 0.00 0.00 57.07 55.59 2fry s TYR 9 Cb 0.02 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.94 2fry s TYR 9 CO 0.17 -0.06 -0.21 -0.35 -1.57 0.00 0.00 175.55 173.53 2fry n PRO 10 N -0.23 -1.20 -3.39 -1.71 -0.04 -1.26 -4.90 135.00 122.27 2fry n PRO 10 Ca -0.09 -0.35 -0.37 0.00 -0.04 0.00 0.00 63.50 62.65 2fry n PRO 10 Cb 0.62 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2fry n PRO 10 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2fry s PHE 11 N -2.07 3.47 -0.13 0.54 -0.71 -1.26 -4.97 117.98 112.85 2fry s PHE 11 Ca 0.32 0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 56.97 2fry s PHE 11 Cb -0.02 -2.49 0.03 0.00 -1.21 0.00 0.00 43.02 39.33 2fry s PHE 11 CO 0.40 0.16 -0.06 0.45 -1.34 0.00 0.00 175.22 174.83 2fry s SER 12 N 0.65 2.41 -0.10 1.98 0.15 -1.26 -4.92 113.70 112.60 2fry s SER 12 Ca 0.22 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.45 2fry s SER 12 Cb -0.14 -0.83 0.01 0.00 -1.71 0.00 0.00 66.02 63.35 2fry s SER 12 CO 0.08 -0.16 -0.17 -0.44 1.20 0.00 0.00 173.24 173.75 2fry s SER 13 N 1.71 2.50 0.00 5.45 0.01 -1.26 -4.26 113.70 117.84 2fry s SER 13 Ca 0.03 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2fry s SER 13 Cb -0.14 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2fry s SER 13 CO -0.08 0.05 0.00 1.33 0.41 0.00 0.00 173.24 174.95 2fry n VAL 14 N 4.01 0.00 -0.52 3.43 0.24 -1.26 -4.88 118.33 119.35 2fry n VAL 14 Ca -0.20 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.81 2fry n VAL 14 Cb 0.52 -0.73 0.22 0.00 -1.47 0.00 0.00 33.84 32.37 2fry n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2fry n THR 15 N -2.52 0.00 0.06 3.34 -1.04 -1.26 -4.90 114.28 107.97 2fry n THR 15 Ca 0.00 -0.29 -0.06 0.00 -2.04 0.00 0.00 64.05 61.66 2fry n THR 15 Cb 0.19 -0.77 0.10 0.00 -1.82 0.00 0.00 70.33 68.03 2fry n THR 15 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2fry h GLU 16 N -2.61 0.34 -1.10 -2.82 4.57 -2.01 -3.11 114.58 107.84 2fry h GLU 16 Ca -0.51 -0.23 -0.36 0.00 -1.18 0.00 0.00 59.36 57.08 2fry h GLU 16 Cb 1.27 0.03 -0.19 0.00 -0.16 0.00 0.00 28.75 29.70 2fry h GLU 16 CO 0.37 0.83 0.46 0.39 -1.18 0.00 0.00 179.01 179.88 2fry n GLU 17 N -3.90 1.87 -4.54 1.92 -0.58 -1.26 -4.90 120.64 109.25 2fry n GLU 17 Ca -0.03 -1.97 -0.25 0.00 -0.42 0.00 0.00 57.16 54.49 2fry n GLU 17 Cb 0.61 -1.77 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 2fry n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2fry s GLU 18 N -2.19 1.80 -0.04 3.49 2.02 -1.18 -0.37 118.70 122.24 2fry s GLU 18 Ca 0.38 -1.96 -0.20 0.00 0.02 0.00 0.00 54.97 53.21 2fry s GLU 18 Cb 0.31 -1.52 0.04 0.00 0.10 0.00 0.00 34.13 33.06 2fry s GLU 18 CO 0.05 0.04 0.44 -0.48 0.02 0.00 0.00 175.26 175.32 2fry s LEU 19 N -3.60 0.33 -0.39 1.80 -0.00 -1.26 -4.76 118.68 110.81 2fry s LEU 19 Ca 0.33 0.34 -0.14 0.00 -0.00 0.00 0.00 54.13 54.66 2fry s LEU 19 Cb 0.05 1.69 0.01 0.00 -0.00 0.00 0.00 46.19 47.95 2fry s LEU 19 CO 0.16 -0.48 0.27 0.54 -0.00 0.00 0.00 176.35 176.84 2fry s ASN 20 N -1.18 6.04 0.17 1.48 2.20 -1.26 -4.54 114.94 117.84 2fry s ASN 20 Ca -0.12 -0.78 0.03 0.00 -0.94 0.00 0.00 52.86 51.05 2fry s ASN 20 Cb -0.03 -2.13 -0.05 0.00 -2.00 0.00 0.00 41.25 37.04 2fry s ASN 20 CO 0.06 -0.38 -0.03 0.72 -2.94 0.00 0.00 177.10 174.53 2fry s PHE 21 N 1.67 1.26 -0.63 1.54 -0.12 -1.26 -5.08 117.98 115.36 2fry s PHE 21 Ca 0.05 -0.93 -0.26 0.00 -0.05 0.00 0.00 56.93 55.73 2fry s PHE 21 Cb -0.19 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.48 2fry s PHE 21 CO 0.10 -0.11 1.89 -2.00 -0.05 0.00 0.00 175.22 175.05 2fry s GLU 22 N -3.86 2.60 0.03 1.99 2.56 -1.26 -4.73 118.70 116.03 2fry s GLU 22 Ca 0.22 0.58 -0.30 0.00 0.00 0.00 0.00 54.97 55.46 2fry s GLU 22 Cb 0.05 -4.44 -0.05 0.00 2.00 0.00 0.00 34.13 31.69 2fry s GLU 22 CO 0.03 -2.80 1.25 0.15 -0.56 0.00 0.00 175.26 173.32 2fry s LYS 23 N 7.10 4.38 0.00 4.30 -0.14 -1.26 -4.89 119.74 129.23 2fry s LYS 23 Ca 0.69 1.81 0.00 0.00 -1.36 0.00 0.00 55.97 57.10 2fry s LYS 23 Cb -0.12 -3.41 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 2fry s LYS 23 CO 0.19 -0.36 0.00 0.41 -0.76 0.00 0.00 175.35 174.83 2fry n GLY 24 N 3.34 1.35 0.04 -3.33 0.00 -1.26 -4.91 105.19 100.41 2fry n GLY 24 Ca 0.10 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.63 2fry n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fry n GLU 25 N 0.00 0.50 -3.87 1.61 2.13 -1.26 -4.58 120.64 115.17 2fry n GLU 25 Ca 0.00 -0.05 -0.11 0.00 0.66 0.00 0.00 57.16 57.66 2fry n GLU 25 Cb 0.00 -1.62 -0.12 0.00 0.27 0.00 0.00 31.44 29.97 2fry n GLU 25 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2fry s THR 26 N -3.36 0.04 0.13 6.31 -4.23 -1.26 0.47 115.64 113.74 2fry s THR 26 Ca -0.02 -0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2fry s THR 26 Cb 0.13 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.70 2fry s THR 26 CO 0.85 -0.18 0.03 0.00 -0.54 0.00 0.00 174.62 174.78 2fry s MET 27 N -0.55 0.93 -0.24 3.99 0.23 0.35 -4.80 119.30 119.22 2fry s MET 27 Ca -0.06 -1.44 0.02 0.00 -1.03 0.00 0.00 55.69 53.18 2fry s MET 27 Cb -0.04 0.08 0.05 0.00 -1.53 0.00 0.00 34.83 33.39 2fry s MET 27 CO 0.00 -0.20 -0.12 -1.83 -2.03 0.00 0.00 175.02 170.84 2fry s GLU 28 N -3.99 2.31 -0.01 3.16 1.03 -1.26 0.28 118.70 120.22 2fry s GLU 28 Ca 0.21 -1.17 -0.17 0.00 0.03 0.00 0.00 54.97 53.87 2fry s GLU 28 Cb 0.07 -2.75 -0.06 0.00 -0.80 0.00 0.00 34.13 30.59 2fry s GLU 28 CO 0.01 -0.49 0.49 0.08 -1.33 0.00 0.00 175.26 174.02 2fry s VAL 29 N 1.19 4.97 -0.21 1.83 1.01 -1.26 -3.65 120.40 124.27 2fry s VAL 29 Ca -0.05 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2fry s VAL 29 Cb -0.18 -3.81 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 2fry s VAL 29 CO -0.07 0.50 -0.03 2.30 0.00 0.00 0.00 175.10 177.80 2fry n ILE 30 N 2.30 1.59 -3.01 2.22 -0.00 -0.95 -4.82 119.36 116.68 2fry n ILE 30 Ca -0.11 -0.60 -0.43 0.00 -0.00 0.00 0.00 62.75 61.61 2fry n ILE 30 Cb 0.52 -1.52 -0.06 0.00 -0.00 0.00 0.00 39.64 38.58 2fry n ILE 30 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2fry s GLU 31 N -2.53 3.29 0.21 6.28 2.12 -1.26 -5.04 118.70 121.77 2fry s GLU 31 Ca -0.31 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 2fry s GLU 31 Cb 0.08 -4.01 -0.08 0.00 0.26 0.00 0.00 34.13 30.38 2fry s GLU 31 CO 0.66 -1.21 0.90 0.15 -0.54 0.00 0.00 175.26 175.22 2fry s LYS 32 N 3.20 4.77 -0.02 4.30 -0.14 -1.26 -4.59 119.74 125.99 2fry s LYS 32 Ca 0.25 1.40 0.06 0.00 -1.36 0.00 0.00 55.97 56.31 2fry s LYS 32 Cb -0.14 -3.29 0.19 0.00 -1.68 0.00 0.00 37.83 32.91 2fry s LYS 32 CO 0.19 0.50 1.07 -0.35 -0.76 0.00 0.00 175.35 176.00 2fry n PRO 33 N 1.66 1.63 0.32 -1.68 -0.04 -1.26 -4.15 135.00 131.49 2fry n PRO 33 Ca -0.02 -0.77 0.20 0.00 -0.04 0.00 0.00 63.50 62.86 2fry n PRO 33 Cb 0.48 -1.30 1.10 0.00 -0.04 0.00 0.00 33.50 33.73 2fry n PRO 33 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2fry h GLU 34 N 1.18 0.00 0.00 0.54 -0.00 -2.02 -3.10 114.58 111.18 2fry h GLU 34 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.26 2fry h GLU 34 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 2fry h GLU 34 CO 0.04 0.00 -1.37 -1.71 -0.00 0.00 0.00 179.01 175.97 2fry n ASN 35 N -3.21 2.80 -3.93 3.06 4.05 -1.26 -4.95 115.26 111.82 2fry n ASN 35 Ca -0.03 -0.01 -0.31 0.00 0.45 0.00 0.00 54.58 54.69 2fry n ASN 35 Cb 0.13 -0.12 -0.15 0.00 1.23 0.00 0.00 39.78 40.87 2fry n ASN 35 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2fry s ASP 36 N -4.85 4.48 -1.52 1.20 1.11 -1.18 -5.03 116.67 110.90 2fry s ASP 36 Ca -0.09 -1.92 -0.09 0.00 0.18 0.00 0.00 52.55 50.63 2fry s ASP 36 Cb 0.03 -1.37 -0.01 0.00 1.07 0.00 0.00 42.92 42.63 2fry s ASP 36 CO 0.14 -0.37 2.69 -0.81 1.18 0.00 0.00 175.17 178.00 2fry n PRO 37 N 4.46 3.83 0.00 8.23 -0.04 -1.21 -4.30 135.00 145.97 2fry n PRO 37 Ca 0.01 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.85 2fry n PRO 37 Cb 0.42 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 2fry n PRO 37 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2fry n GLU 38 N 3.42 0.00 -3.72 0.54 0.28 -1.26 -5.12 120.64 114.77 2fry n GLU 38 Ca 0.70 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.56 2fry n GLU 38 Cb 0.26 -0.06 -0.09 0.00 1.43 0.00 0.00 31.44 32.98 2fry n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2fry s TRP 39 N -0.45 -0.35 0.40 -1.84 0.51 -1.26 -4.81 118.94 111.13 2fry s TRP 39 Ca 0.00 0.71 0.07 0.00 -2.12 0.00 0.00 56.10 54.76 2fry s TRP 39 Cb 0.00 0.16 -0.08 0.00 -0.81 0.00 0.00 33.47 32.75 2fry s TRP 39 CO 0.00 -0.36 -0.01 1.67 -0.51 0.00 0.00 176.95 177.75 2fry s TRP 40 N -0.72 2.50 -0.01 -1.98 -2.14 -1.26 -4.98 118.94 110.36 2fry s TRP 40 Ca -0.08 -0.63 0.03 0.00 2.66 0.00 0.00 56.10 58.07 2fry s TRP 40 Cb -0.04 -1.71 -0.00 0.00 -3.10 0.00 0.00 33.47 28.62 2fry s TRP 40 CO 0.04 0.47 -0.09 -1.59 -2.66 0.00 0.00 176.95 173.12 2fry s LYS 41 N -3.70 0.78 0.12 3.25 0.00 -1.25 -0.20 119.74 118.74 2fry s LYS 41 Ca 0.35 -0.30 0.04 0.00 0.00 0.00 0.00 55.97 56.06 2fry s LYS 41 Cb 0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 37.83 37.13 2fry s LYS 41 CO 0.18 0.15 -0.10 0.00 0.00 0.00 0.00 175.35 175.58 2fry s LYS 43 N -3.29 3.92 0.45 0.00 -2.85 -1.24 -3.12 119.74 113.61 2fry s LYS 43 Ca 0.11 0.40 0.04 0.00 -1.00 0.00 0.00 55.97 55.52 2fry s LYS 43 Cb 0.00 -3.06 -0.04 0.00 -2.06 0.00 0.00 37.83 32.67 2fry s LYS 43 CO 0.00 0.58 0.01 1.21 0.10 0.00 0.00 175.35 177.25 2fry s ASN 44 N -1.51 3.87 0.05 0.03 3.04 -1.25 -4.62 114.94 114.55 2fry s ASN 44 Ca 0.32 -1.53 0.09 0.00 0.04 0.00 0.00 52.86 51.78 2fry s ASN 44 Cb -0.16 0.11 0.39 0.00 -1.54 0.00 0.00 41.25 40.06 2fry s ASN 44 CO 0.17 -0.68 1.27 0.00 -3.04 0.00 0.00 177.10 174.82 2fry n ALA 45 N -1.10 1.28 1.68 1.71 0.00 -1.26 -0.76 120.51 122.06 2fry n ALA 45 Ca -0.12 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2fry n ALA 45 Cb 0.67 -1.14 0.75 0.00 0.00 0.00 0.00 19.45 19.73 2fry n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fry n ARG 46 N -1.62 1.00 -0.93 0.00 5.12 -1.26 -4.88 116.66 114.10 2fry n ARG 46 Ca 0.01 -0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 2fry n ARG 46 Cb 0.08 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2fry n ARG 46 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2fry n GLY 47 N 1.14 0.48 3.13 -0.13 0.00 0.06 -4.98 105.19 104.90 2fry n GLY 47 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2fry n GLY 47 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fry s GLN 48 N -0.51 2.71 -0.16 1.61 -2.07 -1.26 -4.89 119.66 115.09 2fry s GLN 48 Ca 0.00 -1.04 -0.06 0.00 -1.82 0.00 0.00 55.36 52.44 2fry s GLN 48 Cb 0.00 -2.81 -0.04 0.00 -1.09 0.00 0.00 33.01 29.07 2fry s GLN 48 CO 0.00 -0.38 0.06 0.54 -1.32 0.00 0.00 175.29 174.18 2fry s VAL 49 N 1.25 4.75 0.28 3.63 0.11 -1.26 -3.85 120.40 125.31 2fry s VAL 49 Ca -0.01 -0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2fry s VAL 49 Cb -0.16 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 31.56 2fry s VAL 49 CO -0.08 0.50 0.26 0.61 -3.33 0.00 0.00 175.10 173.07 2fry n GLY 50 N 3.15 2.97 3.61 6.54 0.00 -1.18 -4.81 105.19 115.47 2fry n GLY 50 Ca -0.17 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2fry n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fry s LEU 51 N 0.00 3.66 0.01 0.99 1.02 0.51 -2.95 118.68 121.91 2fry s LEU 51 Ca 0.33 1.06 -0.01 0.00 0.02 0.00 0.00 54.13 55.52 2fry s LEU 51 Cb 0.01 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.65 2fry s LEU 51 CO 0.23 -1.39 0.16 0.54 0.02 0.00 0.00 176.35 175.92 2fry s VAL 52 N 5.43 5.25 -0.87 -1.59 0.11 0.72 -4.57 120.40 124.87 2fry s VAL 52 Ca 0.64 -0.29 -0.26 0.00 -2.93 0.00 0.00 61.98 59.14 2fry s VAL 52 Cb -0.17 -3.47 -0.16 0.00 -1.53 0.00 0.00 36.38 31.05 2fry s VAL 52 CO 0.31 0.28 2.32 -2.16 -3.33 0.00 0.00 175.10 172.52 2fry s PRO 53 N -2.05 1.48 0.58 1.54 0.04 -1.26 -4.01 135.00 131.32 2fry s PRO 53 Ca 0.28 0.22 0.28 0.00 0.04 0.00 0.00 61.00 61.83 2fry s PRO 53 Cb -0.13 -4.84 1.50 0.00 0.04 0.00 0.00 34.50 31.07 2fry s PRO 53 CO 0.20 -4.75 1.95 1.57 0.04 0.00 0.00 177.00 176.01 2fry h LYS 54 N 12.37 0.00 -0.00 4.56 5.09 -1.89 0.81 116.57 137.50 2fry h LYS 54 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.75 2fry h LYS 54 Cb 1.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.33 2fry h LYS 54 CO 1.01 0.00 -0.00 -1.71 -2.09 0.00 0.00 179.45 176.66 2fry n ASN 55 N -3.84 0.34 -0.77 7.07 5.15 -1.26 -2.90 115.26 119.05 2fry n ASN 55 Ca 0.08 -1.09 0.07 0.00 -0.60 0.00 0.00 54.58 53.03 2fry n ASN 55 Cb 0.61 -0.01 0.20 0.00 -0.53 0.00 0.00 39.78 40.05 2fry n ASN 55 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2fry n TYR 56 N -0.74 0.66 -4.05 1.20 4.02 0.28 -5.00 117.16 113.52 2fry n TYR 56 Ca 0.23 -0.62 -0.13 0.00 -0.01 0.00 0.00 57.90 57.37 2fry n TYR 56 Cb 0.17 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.33 2fry n TYR 56 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2fry s VAL 57 N -1.57 0.00 -0.10 -0.72 -7.23 -1.14 -0.73 120.40 108.91 2fry s VAL 57 Ca 0.31 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2fry s VAL 57 Cb 0.20 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.57 2fry s VAL 57 CO 0.14 0.00 -0.06 0.54 -0.31 0.00 0.00 175.10 175.42 2fry s VAL 58 N -3.15 0.85 0.51 1.32 0.11 -0.29 -4.88 120.40 114.87 2fry s VAL 58 Ca 0.28 -0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 58.92 2fry s VAL 58 Cb -0.01 -0.89 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 2fry s VAL 58 CO 0.18 0.33 1.25 -0.69 -3.33 0.00 0.00 175.10 172.84 2fry s VAL 59 N 1.65 2.62 0.32 2.04 1.01 -1.26 0.32 120.40 127.09 2fry s VAL 59 Ca 0.03 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2fry s VAL 59 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2fry s VAL 59 CO -0.06 -0.02 0.29 -0.76 0.00 0.00 0.00 175.10 174.56 2fry s LEU 60 N -3.36 3.69 0.00 3.92 1.02 0.71 -4.68 118.68 119.99 2fry s LEU 60 Ca 0.69 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2fry s LEU 60 Cb -0.34 -2.30 0.00 0.00 0.02 0.00 0.00 46.19 43.57 2fry s LEU 60 CO 0.40 -0.30 0.00 -0.24 0.02 0.00 0.00 176.35 176.23