#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 6.82 -0.13 1.61 0.01 -1.26 -5.03 113.70 115.72 2fry s SER 2 Ca 0.00 0.99 -0.29 0.00 1.31 0.00 0.00 55.95 57.96 2fry s SER 2 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 2fry s SER 2 CO 0.00 -0.17 0.98 -1.38 0.41 0.00 0.00 173.24 173.08 2fry s HIS 3 N 1.26 3.49 0.29 2.43 0.00 -1.26 -4.83 115.29 116.67 2fry s HIS 3 Ca 0.32 1.53 0.04 0.00 -3.00 0.00 0.00 55.06 53.96 2fry s HIS 3 Cb -0.16 -3.17 -0.06 0.00 -4.00 0.00 0.00 32.58 25.19 2fry s HIS 3 CO 0.13 -0.25 0.01 0.08 -1.00 0.00 0.00 174.74 173.72 2fry s VAL 4 N 2.13 1.24 0.05 -5.38 1.01 -1.21 -4.37 120.40 113.87 2fry s VAL 4 Ca 0.46 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 60.45 2fry s VAL 4 Cb -0.18 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2fry s VAL 4 CO 0.16 -0.16 -0.12 0.54 0.00 0.00 0.00 175.10 175.52 2fry s VAL 5 N -3.27 0.93 -0.08 2.92 0.11 0.57 0.20 120.40 121.77 2fry s VAL 5 Ca 0.33 -1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2fry s VAL 5 Cb 0.07 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2fry s VAL 5 CO 0.13 -0.17 0.02 -1.58 -3.33 0.00 0.00 175.10 170.17 2fry s GLN 6 N -1.40 3.02 0.19 1.54 2.00 0.44 0.14 119.66 125.59 2fry s GLN 6 Ca -0.03 -0.39 0.09 0.00 -2.00 0.00 0.00 55.36 53.03 2fry s GLN 6 Cb -0.09 -2.83 -0.04 0.00 0.80 0.00 0.00 33.01 30.85 2fry s GLN 6 CO 0.01 0.71 -0.08 0.95 -0.50 0.00 0.00 175.29 176.38 2fry s THR 7 N -0.92 3.25 0.00 -0.34 -4.23 -0.73 0.35 115.64 113.02 2fry s THR 7 Ca 0.14 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2fry s THR 7 Cb -0.11 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2fry s THR 7 CO 0.03 -0.15 0.00 0.00 -0.54 0.00 0.00 174.62 173.96 2fry n LEU 8 N -0.10 1.19 -4.43 4.79 -0.00 -1.25 -4.47 117.00 112.74 2fry n LEU 8 Ca -0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.61 2fry n LEU 8 Cb 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.85 2fry n LEU 8 CO 0.36 0.18 -0.52 -0.31 -0.00 0.00 0.00 177.39 177.10 2fry s TYR 9 N -1.46 2.46 0.97 1.47 2.02 -1.13 -5.06 117.35 116.62 2fry s TYR 9 Ca 0.00 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.28 2fry s TYR 9 Cb 0.00 -1.39 0.18 0.00 -0.40 0.00 0.00 41.96 40.34 2fry s TYR 9 CO 0.00 0.26 1.10 -2.14 -1.57 0.00 0.00 175.55 173.20 2fry s PRO 10 N -1.62 0.60 0.17 -1.71 0.02 -1.26 -4.77 135.00 126.42 2fry s PRO 10 Ca 0.14 1.23 0.10 0.00 0.02 0.00 0.00 61.00 62.49 2fry s PRO 10 Cb -0.10 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 2fry s PRO 10 CO 0.06 -2.81 -0.19 -0.59 -0.33 0.00 0.00 177.00 173.13 2fry s PHE 11 N -2.65 2.44 -0.04 6.54 -0.12 -1.26 -4.99 117.98 117.90 2fry s PHE 11 Ca 0.66 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.29 2fry s PHE 11 Cb -0.22 -1.23 -0.01 0.00 -0.63 0.00 0.00 43.02 40.93 2fry s PHE 11 CO 0.60 0.47 -0.18 -1.12 -0.05 0.00 0.00 175.22 174.93 2fry s SER 12 N -2.55 2.20 0.65 1.98 0.01 -1.26 -4.83 113.70 109.90 2fry s SER 12 Ca 0.21 -0.35 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 2fry s SER 12 Cb -0.09 -0.51 -0.00 0.00 0.21 0.00 0.00 66.02 65.63 2fry s SER 12 CO 0.11 0.18 1.03 -0.55 0.41 0.00 0.00 173.24 174.42 2fry s SER 13 N -0.11 5.70 0.00 2.44 0.15 -1.22 -4.75 113.70 115.91 2fry s SER 13 Ca -0.01 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2fry s SER 13 Cb -0.10 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2fry s SER 13 CO 0.01 -1.14 0.00 0.55 1.20 0.00 0.00 173.24 173.87 2fry n VAL 14 N -2.83 0.00 -2.70 4.45 3.14 -1.26 -4.95 118.33 114.18 2fry n VAL 14 Ca 0.06 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.23 2fry n VAL 14 Cb 0.56 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.40 2fry n VAL 14 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2fry s THR 15 N -1.27 2.53 0.25 1.55 2.01 -1.26 -4.97 115.64 114.48 2fry s THR 15 Ca 0.00 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2fry s THR 15 Cb 0.00 -2.81 0.11 0.00 0.01 0.00 0.00 72.50 69.81 2fry s THR 15 CO 0.00 0.00 1.75 -0.08 -0.69 0.00 0.00 174.62 175.60 2fry h GLU 16 N -0.00 0.85 -0.00 4.92 4.57 -2.03 -2.00 114.58 120.88 2fry h GLU 16 Ca -0.39 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 2fry h GLU 16 Cb 1.29 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2fry h GLU 16 CO 0.47 0.84 -0.10 0.39 -1.18 0.00 0.00 179.01 179.44 2fry n GLU 17 N -4.21 0.78 -1.82 1.92 1.02 -1.26 -4.88 120.64 112.18 2fry n GLU 17 Ca 0.03 -0.27 -0.29 0.00 -0.02 0.00 0.00 57.16 56.61 2fry n GLU 17 Cb 0.30 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.33 2fry n GLU 17 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2fry s GLU 18 N -2.41 1.66 0.08 3.49 8.01 -0.75 0.13 118.70 128.91 2fry s GLU 18 Ca 0.31 0.10 -0.25 0.00 0.01 0.00 0.00 54.97 55.14 2fry s GLU 18 Cb 0.20 -1.92 0.06 0.00 -4.31 0.00 0.00 34.13 28.17 2fry s GLU 18 CO 0.46 -1.80 0.60 -0.51 0.01 0.00 0.00 175.26 174.01 2fry s LEU 19 N -5.71 -0.45 -0.28 1.80 1.02 -1.26 -4.44 118.68 109.35 2fry s LEU 19 Ca 0.63 0.22 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 2fry s LEU 19 Cb -0.11 2.46 0.09 0.00 0.02 0.00 0.00 46.19 48.65 2fry s LEU 19 CO 0.50 -0.82 0.10 0.21 0.02 0.00 0.00 176.35 176.37 2fry s ASN 20 N -2.18 3.60 0.22 2.29 3.84 -1.26 -3.40 114.94 118.05 2fry s ASN 20 Ca -0.03 -1.34 0.03 0.00 0.21 0.00 0.00 52.86 51.73 2fry s ASN 20 Cb -0.01 -0.59 -0.05 0.00 -0.55 0.00 0.00 41.25 40.05 2fry s ASN 20 CO -0.04 -0.41 0.00 0.72 -2.79 0.00 0.00 177.10 174.58 2fry s PHE 21 N 1.87 1.46 -0.46 0.43 -0.12 -1.26 -5.03 117.98 114.88 2fry s PHE 21 Ca 0.08 -0.96 -0.27 0.00 -0.05 0.00 0.00 56.93 55.73 2fry s PHE 21 Cb -0.17 -0.84 -0.05 0.00 -0.63 0.00 0.00 43.02 41.33 2fry s PHE 21 CO -0.27 -0.10 2.25 -1.21 -0.05 0.00 0.00 175.22 175.84 2fry s GLU 22 N -3.88 2.42 0.36 1.99 8.01 -1.26 -4.92 118.70 121.43 2fry s GLU 22 Ca 0.28 1.37 -0.26 0.00 0.01 0.00 0.00 54.97 56.37 2fry s GLU 22 Cb 0.06 -4.49 -0.09 0.00 -4.31 0.00 0.00 34.13 25.29 2fry s GLU 22 CO 0.08 -2.92 1.10 0.21 0.01 0.00 0.00 175.26 173.74 2fry s LYS 23 N 7.60 4.27 0.00 1.61 2.47 -1.26 -5.01 119.74 129.41 2fry s LYS 23 Ca 0.92 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 57.03 2fry s LYS 23 Cb -0.19 -2.77 0.00 0.00 -1.46 0.00 0.00 37.83 33.41 2fry s LYS 23 CO 0.27 -0.09 0.00 0.41 0.16 0.00 0.00 175.35 176.10 2fry n GLY 24 N 0.68 7.39 1.11 5.54 0.00 -1.26 -5.02 105.19 113.63 2fry n GLY 24 Ca 0.03 -2.04 0.09 0.00 0.00 0.00 0.00 46.02 44.10 2fry n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fry n GLU 25 N -0.00 2.48 -3.67 1.61 1.02 -1.26 -4.53 120.64 116.28 2fry n GLU 25 Ca 0.00 -2.10 -0.10 0.00 -0.02 0.00 0.00 57.16 54.94 2fry n GLU 25 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 2fry n GLU 25 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2fry s THR 26 N -1.34 -0.01 0.13 2.62 -4.23 -1.26 -1.77 115.64 109.78 2fry s THR 26 Ca 0.39 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2fry s THR 26 Cb 0.21 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2fry s THR 26 CO 0.25 0.01 0.04 0.00 -0.54 0.00 0.00 174.62 174.38 2fry s MET 27 N 1.10 0.93 -0.22 3.99 0.23 0.37 -4.83 119.30 120.88 2fry s MET 27 Ca -0.06 -1.44 0.01 0.00 -1.03 0.00 0.00 55.69 53.17 2fry s MET 27 Cb -0.06 0.14 0.05 0.00 -1.53 0.00 0.00 34.83 33.44 2fry s MET 27 CO -0.10 -0.22 -0.08 -1.83 -2.03 0.00 0.00 175.02 170.75 2fry s GLU 28 N -4.01 1.84 -0.05 3.16 -1.05 -1.26 0.21 118.70 117.54 2fry s GLU 28 Ca 0.23 -0.93 -0.17 0.00 -0.15 0.00 0.00 54.97 53.94 2fry s GLU 28 Cb 0.07 -2.51 -0.05 0.00 -0.44 0.00 0.00 34.13 31.20 2fry s GLU 28 CO 0.01 -0.51 0.47 0.08 0.95 0.00 0.00 175.26 176.26 2fry s VAL 29 N 1.38 5.06 -0.21 1.83 1.01 -1.26 -3.57 120.40 124.64 2fry s VAL 29 Ca -0.04 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2fry s VAL 29 Cb -0.18 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 2fry s VAL 29 CO -0.07 0.44 -0.20 2.30 0.00 0.00 0.00 175.10 177.57 2fry n ILE 30 N 2.78 1.21 -3.05 2.22 -0.00 -0.89 -4.75 119.36 116.89 2fry n ILE 30 Ca -0.10 -0.44 -0.43 0.00 -0.00 0.00 0.00 62.75 61.78 2fry n ILE 30 Cb 0.52 -1.34 -0.06 0.00 -0.00 0.00 0.00 39.64 38.76 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 -2.42 3.26 -0.35 6.28 2.12 -1.26 -5.03 118.70 121.30 2fry s GLU 31 Ca -0.29 -0.46 -0.18 0.00 0.36 0.00 0.00 54.97 54.40 2fry s GLU 31 Cb 0.08 -4.01 -0.00 0.00 0.26 0.00 0.00 34.13 30.46 2fry s GLU 31 CO 0.47 -1.18 0.51 0.15 -0.54 0.00 0.00 175.26 174.67 2fry s LYS 32 N 3.07 3.61 -0.72 4.30 -0.14 -1.26 -4.38 119.74 124.21 2fry s LYS 32 Ca 0.23 -0.18 -0.25 0.00 -1.36 0.00 0.00 55.97 54.40 2fry s LYS 32 Cb -0.15 -3.81 -0.13 0.00 -1.68 0.00 0.00 37.83 32.06 2fry s LYS 32 CO 0.18 -0.65 2.41 -2.30 -0.76 0.00 0.00 175.35 174.23 2fry n PRO 33 N 5.73 0.66 -0.08 -1.68 -0.02 -1.26 -4.76 135.00 133.59 2fry n PRO 33 Ca -0.05 -0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 60.70 2fry n PRO 33 Cb 0.49 -3.52 -0.09 0.00 -0.02 0.00 0.00 33.50 30.35 2fry n PRO 33 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2fry h GLU 34 N 14.43 0.00 0.00 -0.52 5.08 -2.02 -3.43 114.58 128.12 2fry h GLU 34 Ca -0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2fry h GLU 34 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2fry h GLU 34 CO 1.07 0.75 -1.37 0.27 -1.00 0.00 0.00 179.01 178.73 2fry n ASN 35 N -4.58 3.63 -4.31 1.42 0.23 -1.26 -4.92 115.26 105.48 2fry n ASN 35 Ca -0.16 0.00 -0.45 0.00 -0.53 0.00 0.00 54.58 53.45 2fry n ASN 35 Cb 0.46 0.69 -0.06 0.00 -2.08 0.00 0.00 39.78 38.78 2fry n ASN 35 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2fry s ASP 36 N -3.60 6.09 -1.27 0.53 1.01 -1.26 -4.97 116.67 113.19 2fry s ASP 36 Ca -0.03 -1.72 -0.09 0.00 0.71 0.00 0.00 52.55 51.43 2fry s ASP 36 Cb 0.02 -2.17 -0.10 0.00 1.01 0.00 0.00 42.92 41.68 2fry s ASP 36 CO 0.23 -0.79 2.85 -0.81 0.21 0.00 0.00 175.17 176.86 2fry n PRO 37 N 5.18 3.13 0.00 8.23 -0.04 -1.26 -4.61 135.00 145.63 2fry n PRO 37 Ca -0.13 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 2fry n PRO 37 Cb 0.41 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.57 0.00 -3.71 0.54 0.28 -1.26 -5.12 120.64 114.93 2fry n GLU 38 Ca 0.67 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.53 2fry n GLU 38 Cb 0.29 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.08 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 0.40 -0.24 0.44 -1.84 0.51 -1.26 -4.83 118.94 112.12 2fry s TRP 39 Ca 0.00 0.30 0.08 0.00 -2.12 0.00 0.00 56.10 54.35 2fry s TRP 39 Cb 0.00 0.16 -0.00 0.00 -0.81 0.00 0.00 33.47 32.82 2fry s TRP 39 CO 0.00 -0.48 0.45 1.67 -0.51 0.00 0.00 176.95 178.08 2fry s TRP 40 N -1.81 2.55 -0.02 -1.98 -2.14 -1.23 -4.90 118.94 109.41 2fry s TRP 40 Ca -0.10 -0.52 0.02 0.00 2.66 0.00 0.00 56.10 58.17 2fry s TRP 40 Cb -0.03 -2.20 0.00 0.00 -3.10 0.00 0.00 33.47 28.15 2fry s TRP 40 CO 0.02 -0.28 -0.08 -1.59 -2.66 0.00 0.00 176.95 172.36 2fry s LYS 41 N -4.22 0.82 0.12 3.25 0.00 -1.25 -0.01 119.74 118.44 2fry s LYS 41 Ca 0.49 -0.28 0.08 0.00 0.00 0.00 0.00 55.97 56.27 2fry s LYS 41 Cb -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 37.83 36.97 2fry s LYS 41 CO 0.29 0.12 -0.19 0.00 0.00 0.00 0.00 175.35 175.57 2fry s LYS 43 N -2.25 4.32 0.49 0.00 -2.85 -1.23 -3.83 119.74 114.38 2fry s LYS 43 Ca 0.09 0.45 0.07 0.00 -1.00 0.00 0.00 55.97 55.57 2fry s LYS 43 Cb -0.08 -3.42 0.01 0.00 -2.06 0.00 0.00 37.83 32.28 2fry s LYS 43 CO 0.05 0.19 0.40 1.21 0.10 0.00 0.00 175.35 177.30 2fry s ASN 44 N 0.51 4.79 0.00 0.03 3.84 -1.26 -4.71 114.94 118.14 2fry s ASN 44 Ca 0.26 -1.03 0.20 0.00 0.21 0.00 0.00 52.86 52.50 2fry s ASN 44 Cb -0.15 -0.04 1.20 0.00 -0.55 0.00 0.00 41.25 41.71 2fry s ASN 44 CO 0.10 -0.90 1.72 0.00 -2.79 0.00 0.00 177.10 175.23 2fry n ALA 45 N -1.66 2.53 1.31 1.71 0.00 -1.26 -2.88 120.51 120.26 2fry n ALA 45 Ca 0.01 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.47 2fry n ALA 45 Cb 0.63 -1.33 0.60 0.00 0.00 0.00 0.00 19.45 19.35 2fry n ALA 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fry n ARG 46 N -0.84 0.48 0.00 0.00 0.63 -1.26 -4.92 116.66 110.74 2fry n ARG 46 Ca 0.15 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2fry n ARG 46 Cb 0.07 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.48 2fry n ARG 46 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fry n GLY 47 N 1.34 3.00 3.36 5.14 0.00 -1.14 -5.02 105.19 111.87 2fry n GLY 47 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2fry n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fry s GLN 48 N -0.17 2.37 0.02 1.61 -1.52 -1.26 -4.94 119.66 115.77 2fry s GLN 48 Ca 0.00 -0.84 0.01 0.00 -1.95 0.00 0.00 55.36 52.58 2fry s GLN 48 Cb 0.00 -2.20 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 2fry s GLN 48 CO 0.00 0.54 0.08 0.14 -0.25 0.00 0.00 175.29 175.79 2fry s VAL 49 N -0.54 4.64 0.00 1.09 -7.23 -1.26 -4.23 120.40 112.87 2fry s VAL 49 Ca 0.07 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2fry s VAL 49 Cb -0.11 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2fry s VAL 49 CO 0.01 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2fry n GLY 50 N 0.96 6.05 3.47 2.32 0.00 -1.25 -4.89 105.19 111.86 2fry n GLY 50 Ca -0.12 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 3.54 -0.09 0.99 1.02 0.35 -3.37 118.68 121.12 2fry s LEU 51 Ca 0.00 -0.17 -0.05 0.00 0.02 0.00 0.00 54.13 53.93 2fry s LEU 51 Cb 0.00 -1.95 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2fry s LEU 51 CO 0.00 -0.03 0.12 0.54 0.02 0.00 0.00 176.35 176.99 2fry s VAL 52 N 1.61 5.21 -0.49 -1.59 0.11 0.98 -4.32 120.40 121.92 2fry s VAL 52 Ca 0.06 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.86 2fry s VAL 52 Cb -0.15 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.39 2fry s VAL 52 CO 0.05 0.55 1.72 -2.16 -3.33 0.00 0.00 175.10 171.93 2fry s PRO 53 N -1.20 3.07 0.64 1.54 0.04 -1.26 -3.50 135.00 134.33 2fry s PRO 53 Ca 0.17 0.88 0.34 0.00 0.04 0.00 0.00 61.00 62.43 2fry s PRO 53 Cb -0.12 -4.24 1.85 0.00 0.04 0.00 0.00 34.50 32.02 2fry s PRO 53 CO 0.07 -2.19 2.09 1.57 0.04 0.00 0.00 177.00 178.57 2fry h LYS 54 N 13.19 0.00 0.00 4.56 5.09 -1.93 0.17 116.57 137.66 2fry h LYS 54 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.45 2fry h LYS 54 Cb 1.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.48 2fry h LYS 54 CO 1.14 0.00 0.00 -1.71 -2.09 0.00 0.00 179.45 176.79 2fry n ASN 55 N -3.23 0.00 -0.92 7.07 5.15 -1.26 -2.69 115.26 119.38 2fry n ASN 55 Ca -0.01 0.45 0.08 0.00 -0.60 0.00 0.00 54.58 54.50 2fry n ASN 55 Cb 0.30 -0.48 0.26 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.48 0.95 -4.04 1.20 4.01 0.60 -5.02 117.16 113.39 2fry n TYR 56 Ca 0.06 -0.83 -0.13 0.00 -0.16 0.00 0.00 57.90 56.85 2fry n TYR 56 Cb 0.27 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 38.97 2fry n TYR 56 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2fry s VAL 57 N -2.61 0.00 -0.08 -0.72 -7.23 -1.09 -2.82 120.40 105.84 2fry s VAL 57 Ca 0.41 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 2fry s VAL 57 Cb 0.32 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.70 2fry s VAL 57 CO 0.10 0.00 0.02 0.54 -0.31 0.00 0.00 175.10 175.45 2fry s VAL 58 N -3.14 0.29 0.52 1.32 0.11 0.16 -4.96 120.40 114.70 2fry s VAL 58 Ca 0.27 0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 59.19 2fry s VAL 58 Cb -0.01 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 2fry s VAL 58 CO 0.17 0.17 1.24 -0.69 -3.33 0.00 0.00 175.10 172.67 2fry s VAL 59 N 2.00 2.63 0.32 2.04 1.01 -1.26 0.17 120.40 127.31 2fry s VAL 59 Ca 0.04 0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.55 2fry s VAL 59 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2fry s VAL 59 CO -0.05 -0.03 0.18 -0.22 0.00 0.00 0.00 175.10 174.98 2fry s LEU 60 N -3.45 3.43 0.00 3.92 2.96 0.52 -4.56 118.68 121.50 2fry s LEU 60 Ca 0.70 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2fry s LEU 60 Cb -0.33 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.40 2fry s LEU 60 CO 0.39 -0.26 0.00 -1.54 -1.32 0.00 0.00 176.35 173.62