#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 1.31 -0.20 1.61 0.15 -1.26 -5.12 113.70 110.19 2fry s SER 2 Ca 0.00 -0.47 -0.28 0.00 0.70 0.00 0.00 55.95 55.89 2fry s SER 2 Cb 0.00 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2fry s SER 2 CO 0.00 -0.05 0.98 -1.00 1.20 0.00 0.00 173.24 174.37 2fry s HIS 3 N -1.01 3.38 0.33 3.44 4.02 -1.26 -4.82 115.29 119.37 2fry s HIS 3 Ca -0.02 1.43 0.06 0.00 1.02 0.00 0.00 55.06 57.55 2fry s HIS 3 Cb -0.08 -3.20 -0.06 0.00 -1.02 0.00 0.00 32.58 28.22 2fry s HIS 3 CO 0.01 -0.39 -0.01 0.08 1.02 0.00 0.00 174.74 175.46 2fry s VAL 4 N 2.78 1.60 0.11 -0.90 1.01 -1.22 -4.25 120.40 119.53 2fry s VAL 4 Ca 0.43 -2.06 0.03 0.00 0.00 0.00 0.00 61.98 60.38 2fry s VAL 4 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2fry s VAL 4 CO 0.09 -0.13 -0.09 0.54 0.00 0.00 0.00 175.10 175.52 2fry s VAL 5 N -3.02 0.92 -0.03 2.92 0.11 0.68 0.18 120.40 122.16 2fry s VAL 5 Ca 0.33 -1.81 0.07 0.00 -2.93 0.00 0.00 61.98 57.63 2fry s VAL 5 Cb 0.07 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 2fry s VAL 5 CO 0.15 -0.69 -0.23 -1.58 -3.33 0.00 0.00 175.10 169.42 2fry s GLN 6 N -3.30 2.00 0.21 1.54 0.74 0.29 0.13 119.66 121.27 2fry s GLN 6 Ca 0.10 -0.82 0.08 0.00 0.05 0.00 0.00 55.36 54.77 2fry s GLN 6 Cb 0.01 -1.85 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 2fry s GLN 6 CO -0.01 0.45 -0.02 0.95 -0.55 0.00 0.00 175.29 176.11 2fry s THR 7 N -0.40 3.52 0.00 -0.34 -4.23 -0.42 0.73 115.64 114.50 2fry s THR 7 Ca 0.05 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2fry s THR 7 Cb -0.10 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.93 2fry s THR 7 CO 0.00 -0.21 0.00 0.00 -0.54 0.00 0.00 174.62 173.87 2fry n LEU 8 N -0.39 1.12 -4.95 4.79 -0.00 -1.25 -4.38 117.00 111.94 2fry n LEU 8 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.69 2fry n LEU 8 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2fry n LEU 8 CO 0.39 0.15 0.20 -0.31 -0.00 0.00 0.00 177.39 177.81 2fry s TYR 9 N -1.50 3.39 0.00 1.47 2.02 -1.21 -5.05 117.35 116.47 2fry s TYR 9 Ca 0.00 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 2fry s TYR 9 Cb 0.00 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2fry s TYR 9 CO 0.00 -0.02 0.00 -2.30 -1.57 0.00 0.00 175.55 171.66 2fry n PRO 10 N -1.86 0.06 -3.94 -1.71 -0.02 -1.26 -4.92 135.00 121.35 2fry n PRO 10 Ca -0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 2fry n PRO 10 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.95 2fry n PRO 10 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2fry s PHE 11 N -0.44 3.27 -0.13 6.00 -0.71 -1.26 -4.90 117.98 119.81 2fry s PHE 11 Ca 0.00 0.10 -0.01 0.00 -1.04 0.00 0.00 56.93 55.98 2fry s PHE 11 Cb 0.00 -2.11 0.03 0.00 -1.21 0.00 0.00 43.02 39.73 2fry s PHE 11 CO 0.00 0.15 -0.06 0.45 -1.34 0.00 0.00 175.22 174.41 2fry s SER 12 N 0.46 2.39 -0.10 1.98 0.15 -1.26 -4.93 113.70 112.38 2fry s SER 12 Ca 0.04 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 2fry s SER 12 Cb -0.12 -0.85 0.05 0.00 -1.71 0.00 0.00 66.02 63.39 2fry s SER 12 CO 0.00 -0.15 0.18 -0.44 1.20 0.00 0.00 173.24 174.03 2fry s SER 13 N 1.69 0.82 -0.37 5.45 0.01 -1.26 -4.38 113.70 115.67 2fry s SER 13 Ca 0.04 0.28 0.13 0.00 1.31 0.00 0.00 55.95 57.70 2fry s SER 13 Cb -0.13 0.32 0.39 0.00 0.21 0.00 0.00 66.02 66.80 2fry s SER 13 CO -0.08 -0.26 0.94 0.55 0.41 0.00 0.00 173.24 174.80 2fry n VAL 14 N 5.33 0.29 -4.04 3.43 3.14 -1.26 -4.72 118.33 120.49 2fry n VAL 14 Ca -0.05 -3.25 -0.11 0.00 -2.96 0.00 0.00 64.34 57.98 2fry n VAL 14 Cb 0.50 0.46 -0.05 0.00 -1.06 0.00 0.00 33.84 33.69 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 -1.99 0.00 0.17 1.55 2.01 -1.26 -5.04 115.64 111.07 2fry s THR 15 Ca 0.31 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.80 2fry s THR 15 Cb 0.39 -2.38 -0.14 0.00 0.01 0.00 0.00 72.50 70.38 2fry s THR 15 CO -0.03 0.00 1.39 -0.08 -0.69 0.00 0.00 174.62 175.20 2fry h GLU 16 N 2.25 0.29 -0.96 4.92 4.57 -2.02 -3.14 114.58 120.48 2fry h GLU 16 Ca -0.28 -0.28 -0.44 0.00 -1.18 0.00 0.00 59.36 57.18 2fry h GLU 16 Cb 1.25 0.07 -0.26 0.00 -0.16 0.00 0.00 28.75 29.65 2fry h GLU 16 CO 0.39 0.97 0.56 -0.85 -1.18 0.00 0.00 179.01 178.89 2fry n GLU 17 N -3.73 2.43 -1.73 1.92 0.28 -1.26 -4.93 120.64 113.63 2fry n GLU 17 Ca -0.04 -2.84 0.00 0.00 -0.16 0.00 0.00 57.16 54.12 2fry n GLU 17 Cb 0.78 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.53 2fry n GLU 17 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2fry n GLU 18 N -0.88 1.72 -3.64 3.44 4.71 -1.19 -2.02 120.64 122.78 2fry n GLU 18 Ca 0.53 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.66 2fry n GLU 18 Cb 1.56 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 31.95 2fry n GLU 18 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 2fry s LEU 19 N 0.00 -0.04 -0.32 -4.62 -0.00 -1.26 -4.74 118.68 107.70 2fry s LEU 19 Ca 0.00 0.05 -0.12 0.00 -0.00 0.00 0.00 54.13 54.06 2fry s LEU 19 Cb 0.00 1.09 -0.02 0.00 -0.00 0.00 0.00 46.19 47.26 2fry s LEU 19 CO 0.00 -0.03 0.21 0.54 -0.00 0.00 0.00 176.35 177.06 2fry s ASN 20 N -0.90 5.91 0.16 1.48 4.22 -1.26 -4.52 114.94 120.03 2fry s ASN 20 Ca 0.09 -0.37 0.03 0.00 -2.14 0.00 0.00 52.86 50.46 2fry s ASN 20 Cb -0.01 -2.10 -0.05 0.00 1.28 0.00 0.00 41.25 40.37 2fry s ASN 20 CO -0.09 -0.19 -0.04 0.72 -2.04 0.00 0.00 177.10 175.47 2fry s PHE 21 N 1.70 1.23 -0.77 1.54 -0.12 -1.26 -5.09 117.98 115.22 2fry s PHE 21 Ca 0.06 -0.92 -0.26 0.00 -0.05 0.00 0.00 56.93 55.76 2fry s PHE 21 Cb -0.17 -0.69 0.01 0.00 -0.63 0.00 0.00 43.02 41.55 2fry s PHE 21 CO 0.09 -0.10 1.50 -1.83 -0.05 0.00 0.00 175.22 174.84 2fry s GLU 22 N -3.85 3.07 0.34 1.99 -1.05 -1.26 -4.59 118.70 113.36 2fry s GLU 22 Ca 0.21 -0.18 -0.27 0.00 -0.15 0.00 0.00 54.97 54.58 2fry s GLU 22 Cb 0.05 -4.49 -0.09 0.00 -0.44 0.00 0.00 34.13 29.16 2fry s GLU 22 CO 0.02 -2.40 1.09 0.15 0.95 0.00 0.00 175.26 175.08 2fry s LYS 23 N 6.03 4.36 0.00 -4.83 -0.14 -1.26 -4.91 119.74 118.99 2fry s LYS 23 Ca 0.47 1.70 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 2fry s LYS 23 Cb -0.08 -2.86 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 2fry s LYS 23 CO 0.11 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.10 2fry n GLY 24 N 0.78 4.04 0.04 -3.33 0.00 -1.26 -4.86 105.19 100.59 2fry n GLY 24 Ca 0.02 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 0.40 -4.06 1.61 2.13 -1.26 -4.28 120.64 115.18 2fry n GLU 25 Ca 0.00 -0.02 -0.17 0.00 0.66 0.00 0.00 57.16 57.62 2fry n GLU 25 Cb 0.00 -1.61 -0.16 0.00 0.27 0.00 0.00 31.44 29.94 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 -3.28 0.33 0.14 6.31 -4.23 -1.26 -1.30 115.64 112.34 2fry s THR 26 Ca 0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2fry s THR 26 Cb 0.14 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 2fry s THR 26 CO 0.83 0.15 0.03 -0.32 -0.54 0.00 0.00 174.62 174.77 2fry s MET 27 N 0.65 0.95 -0.20 3.99 1.75 0.34 -4.85 119.30 121.93 2fry s MET 27 Ca -0.07 -1.45 0.01 0.00 -1.25 0.00 0.00 55.69 52.93 2fry s MET 27 Cb -0.10 0.10 0.04 0.00 2.84 0.00 0.00 34.83 37.71 2fry s MET 27 CO -0.01 -0.21 -0.09 -1.83 -0.65 0.00 0.00 175.02 172.23 2fry s GLU 28 N -4.00 1.90 -0.06 4.11 1.03 -1.26 0.24 118.70 120.66 2fry s GLU 28 Ca 0.23 -0.81 -0.13 0.00 0.03 0.00 0.00 54.97 54.28 2fry s GLU 28 Cb 0.07 -2.37 -0.05 0.00 -0.80 0.00 0.00 34.13 30.98 2fry s GLU 28 CO 0.01 -0.45 0.33 0.08 -1.33 0.00 0.00 175.26 173.91 2fry s VAL 29 N 1.43 5.20 0.00 1.83 1.01 -1.26 -3.62 120.40 124.98 2fry s VAL 29 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2fry s VAL 29 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2fry s VAL 29 CO -0.08 0.54 0.00 2.30 0.00 0.00 0.00 175.10 177.86 2fry n ILE 30 N 2.29 0.00 -2.12 2.22 -0.00 -1.02 -4.74 119.36 115.98 2fry n ILE 30 Ca -0.15 0.08 -0.42 0.00 -0.00 0.00 0.00 62.75 62.26 2fry n ILE 30 Cb 0.53 -0.52 -0.03 0.00 -0.00 0.00 0.00 39.64 39.62 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 -0.16 4.20 0.07 6.28 -6.30 -1.26 -5.01 118.70 116.52 2fry s GLU 31 Ca 0.00 2.05 0.01 0.00 -2.50 0.00 0.00 54.97 54.53 2fry s GLU 31 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 34.13 30.21 2fry s GLU 31 CO 0.00 -0.78 0.17 0.15 0.02 0.00 0.00 175.26 174.82 2fry s LYS 32 N 3.70 3.26 -0.75 4.30 3.01 -1.26 -4.46 119.74 127.54 2fry s LYS 32 Ca 0.68 -0.53 -0.07 0.00 -1.01 0.00 0.00 55.97 55.05 2fry s LYS 32 Cb -0.31 -2.93 -0.14 0.00 -1.01 0.00 0.00 37.83 33.44 2fry s LYS 32 CO 0.26 0.59 2.79 -2.30 0.51 0.00 0.00 175.35 177.20 2fry n PRO 33 N 0.31 2.41 0.01 -1.68 -0.02 -1.26 -4.32 135.00 130.45 2fry n PRO 33 Ca -0.06 -1.41 -0.16 0.00 -2.02 0.00 0.00 63.50 59.84 2fry n PRO 33 Cb 0.51 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 2fry n PRO 33 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2fry h GLU 34 N 4.69 0.18 0.00 -0.52 4.11 -2.01 -3.41 114.58 117.62 2fry h GLU 34 Ca 0.47 -0.31 -0.13 0.00 0.07 0.00 0.00 59.36 59.46 2fry h GLU 34 Cb 0.67 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2fry h GLU 34 CO 1.05 0.97 -1.48 0.09 0.07 0.00 0.00 179.01 179.70 2fry n ASN 35 N -3.34 3.33 -3.93 3.06 4.13 -1.26 -4.93 115.26 112.31 2fry n ASN 35 Ca -0.23 -0.03 -0.31 0.00 1.68 0.00 0.00 54.58 55.69 2fry n ASN 35 Cb 1.05 0.14 -0.15 0.00 -1.54 0.00 0.00 39.78 39.27 2fry n ASN 35 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2fry s ASP 36 N -4.50 4.49 -1.08 6.41 -1.08 -1.26 -5.02 116.67 114.63 2fry s ASP 36 Ca -0.09 -1.92 -0.07 0.00 -0.52 0.00 0.00 52.55 49.95 2fry s ASP 36 Cb 0.03 -1.38 -0.08 0.00 -1.46 0.00 0.00 42.92 40.03 2fry s ASP 36 CO 0.23 -0.38 2.46 -2.65 0.52 0.00 0.00 175.17 175.35 2fry n PRO 37 N 4.45 2.58 0.00 4.34 -0.02 -1.26 -4.49 135.00 140.60 2fry n PRO 37 Ca 0.01 -1.65 0.00 0.00 -2.02 0.00 0.00 63.50 59.84 2fry n PRO 37 Cb 0.42 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2fry n PRO 37 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2fry n GLU 38 N 3.86 0.00 -3.72 -0.52 0.28 -1.26 -5.11 120.64 114.17 2fry n GLU 38 Ca 0.55 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.42 2fry n GLU 38 Cb 0.21 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.01 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 0.00 -0.21 0.44 -1.84 0.51 -1.26 -5.02 118.94 111.57 2fry s TRP 39 Ca 0.00 0.21 0.06 0.00 -2.12 0.00 0.00 56.10 54.25 2fry s TRP 39 Cb 0.00 0.15 -0.04 0.00 -0.81 0.00 0.00 33.47 32.77 2fry s TRP 39 CO 0.00 -0.49 0.17 1.67 -0.51 0.00 0.00 176.95 177.79 2fry s TRP 40 N -2.02 2.37 -0.05 -1.98 -2.14 -1.26 -4.96 118.94 108.90 2fry s TRP 40 Ca -0.08 -0.68 -0.04 0.00 2.66 0.00 0.00 56.10 57.96 2fry s TRP 40 Cb -0.02 -1.89 0.02 0.00 -3.10 0.00 0.00 33.47 28.47 2fry s TRP 40 CO 0.00 0.13 0.13 -1.59 -2.66 0.00 0.00 176.95 172.97 2fry s LYS 41 N -3.93 0.15 0.13 3.25 0.00 -1.25 -2.06 119.74 116.02 2fry s LYS 41 Ca 0.35 0.21 0.04 0.00 0.00 0.00 0.00 55.97 56.57 2fry s LYS 41 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 37.83 37.87 2fry s LYS 41 CO 0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 175.35 175.40 2fry s LYS 43 N -3.29 3.92 0.46 0.00 0.00 -1.24 -3.17 119.74 116.42 2fry s LYS 43 Ca 0.12 0.40 0.04 0.00 0.00 0.00 0.00 55.97 56.53 2fry s LYS 43 Cb -0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 37.83 34.72 2fry s LYS 43 CO 0.01 0.58 0.01 1.21 0.00 0.00 0.00 175.35 177.16 2fry s ASN 44 N -1.48 3.89 0.12 0.03 2.47 -1.25 -4.63 114.94 114.08 2fry s ASN 44 Ca 0.31 -1.53 0.11 0.00 0.42 0.00 0.00 52.86 52.18 2fry s ASN 44 Cb -0.16 0.13 0.55 0.00 -1.45 0.00 0.00 41.25 40.33 2fry s ASN 44 CO 0.17 -0.69 1.35 0.00 -3.72 0.00 0.00 177.10 174.22 2fry n ALA 45 N -1.10 1.22 1.81 1.71 0.00 -1.26 -0.70 120.51 122.18 2fry n ALA 45 Ca -0.12 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.51 2fry n ALA 45 Cb 0.67 -1.18 0.74 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.79 1.24 -0.94 0.00 5.12 -1.26 -4.87 116.66 114.15 2fry n ARG 46 Ca 0.01 -0.35 0.00 0.00 -1.93 0.00 0.00 57.85 55.58 2fry n ARG 46 Cb 0.07 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 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 1.03 0.29 3.13 -0.13 0.00 0.13 -4.96 105.19 104.68 2fry n GLY 47 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.93 2.67 -0.16 1.61 -2.07 -1.26 -4.90 119.66 114.63 2fry s GLN 48 Ca 0.00 -1.07 -0.05 0.00 -1.82 0.00 0.00 55.36 52.42 2fry s GLN 48 Cb 0.00 -2.83 -0.04 0.00 -1.09 0.00 0.00 33.01 29.05 2fry s GLN 48 CO 0.00 -0.40 0.02 0.54 -1.32 0.00 0.00 175.29 174.13 2fry s VAL 49 N 1.24 4.45 0.00 3.63 0.11 -1.26 -3.83 120.40 124.75 2fry s VAL 49 Ca -0.02 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2fry s VAL 49 Cb -0.17 -2.97 -0.00 0.00 -1.53 0.00 0.00 36.38 31.72 2fry s VAL 49 CO -0.07 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 2fry n GLY 50 N 3.27 3.99 3.59 6.54 0.00 -1.19 -4.84 105.19 116.55 2fry n GLY 50 Ca -0.17 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 3.49 0.14 0.99 1.02 -0.86 -2.81 118.68 120.66 2fry s LEU 51 Ca 0.01 0.20 -0.11 0.00 0.02 0.00 0.00 54.13 54.25 2fry s LEU 51 Cb 0.00 -3.25 -0.06 0.00 0.02 0.00 0.00 46.19 42.89 2fry s LEU 51 CO 0.00 -1.44 0.48 0.54 0.02 0.00 0.00 176.35 175.95 2fry s VAL 52 N 4.89 4.99 -0.85 -1.59 0.11 -0.88 -4.68 120.40 122.39 2fry s VAL 52 Ca 0.45 0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 59.75 2fry s VAL 52 Cb -0.07 -3.66 -0.15 0.00 -1.53 0.00 0.00 36.38 30.96 2fry s VAL 52 CO 0.27 0.16 2.34 -2.16 -3.33 0.00 0.00 175.10 172.38 2fry s PRO 53 N -2.22 1.53 0.60 1.54 0.04 -1.26 -4.50 135.00 130.74 2fry s PRO 53 Ca 0.39 0.28 0.29 0.00 0.04 0.00 0.00 61.00 62.00 2fry s PRO 53 Cb -0.13 -4.83 1.50 0.00 0.04 0.00 0.00 34.50 31.08 2fry s PRO 53 CO 0.20 -4.64 1.91 1.57 0.04 0.00 0.00 177.00 176.07 2fry h LYS 54 N 12.43 0.00 -0.00 4.56 5.09 -1.93 0.94 116.57 137.65 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 -0.08 -1.71 -2.09 0.00 0.00 179.45 176.58 2fry n ASN 55 N -3.55 0.20 -1.14 7.07 2.85 -1.26 -3.19 115.26 116.24 2fry n ASN 55 Ca 0.06 -0.16 0.07 0.00 -0.11 0.00 0.00 54.58 54.44 2fry n ASN 55 Cb 0.60 -0.21 0.29 0.00 1.24 0.00 0.00 39.78 41.69 2fry n ASN 55 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2fry n TYR 56 N -1.24 1.23 -4.04 1.20 4.01 0.33 -5.00 117.16 113.65 2fry n TYR 56 Ca 0.12 -0.90 -0.13 0.00 -0.16 0.00 0.00 57.90 56.83 2fry n TYR 56 Cb 0.28 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.85 0.00 -0.16 -0.72 -7.23 -1.19 -3.34 120.40 104.91 2fry s VAL 57 Ca 0.45 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2fry s VAL 57 Cb 0.36 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.76 2fry s VAL 57 CO 0.10 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.43 2fry s VAL 58 N -3.15 0.70 0.52 1.32 0.11 0.22 -4.97 120.40 115.15 2fry s VAL 58 Ca 0.27 -0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 58.64 2fry s VAL 58 Cb -0.01 -1.03 -0.06 0.00 -1.53 0.00 0.00 36.38 33.75 2fry s VAL 58 CO 0.17 -0.01 1.24 -0.69 -3.33 0.00 0.00 175.10 172.48 2fry s VAL 59 N 1.80 2.65 0.32 2.04 1.01 -1.26 0.10 120.40 127.06 2fry s VAL 59 Ca 0.01 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2fry s VAL 59 Cb -0.16 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2fry s VAL 59 CO -0.07 -0.03 0.28 -0.76 0.00 0.00 0.00 175.10 174.52 2fry s LEU 60 N -3.44 3.68 0.00 3.92 1.02 0.49 -4.64 118.68 119.71 2fry s LEU 60 Ca 0.70 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2fry s LEU 60 Cb -0.33 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.60 2fry s LEU 60 CO 0.39 -0.29 0.00 -1.54 0.02 0.00 0.00 176.35 174.93