#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fry s ASP 2 N 0.00 -0.09 -0.14 1.61 1.01 -1.26 -5.04 116.67 112.76 3fry s ASP 2 Ca 0.00 0.71 -0.02 0.00 0.71 0.00 0.00 52.55 53.96 3fry s ASP 2 Cb 0.00 -0.99 -0.02 0.00 1.01 0.00 0.00 42.92 42.92 3fry s ASP 2 CO 0.00 -4.75 -0.08 -0.55 0.21 0.00 0.00 175.17 170.00 3fry s SER 3 N -3.57 4.43 -0.15 0.27 0.15 -1.26 -5.11 113.70 108.47 3fry s SER 3 Ca 0.70 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.97 3fry s SER 3 Cb -0.11 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 3fry s SER 3 CO 0.57 0.18 0.46 -0.69 1.20 0.00 0.00 173.24 174.97 3fry s VAL 4 N 0.26 5.18 0.11 4.45 1.01 -1.26 -5.09 120.40 125.06 3fry s VAL 4 Ca -0.06 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3fry s VAL 4 Cb -0.15 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3fry s VAL 4 CO 0.04 0.29 0.00 -1.61 0.00 0.00 0.00 175.10 173.83 3fry s GLU 5 N 0.88 0.87 -0.13 2.72 2.02 -1.26 -5.12 118.70 118.69 3fry s GLU 5 Ca 0.24 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.55 3fry s GLU 5 Cb -0.15 0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 3fry s GLU 5 CO 0.09 -0.16 1.06 0.21 0.02 0.00 0.00 175.26 176.48 3fry s LYS 6 N -3.95 4.37 -0.12 1.61 2.20 -1.26 -5.02 119.74 117.57 3fry s LYS 6 Ca 0.18 1.44 0.03 0.00 -0.36 0.00 0.00 55.97 57.26 3fry s LYS 6 Cb 0.07 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 3fry s LYS 6 CO -0.02 -0.43 -0.22 0.42 -0.36 0.00 0.00 175.35 174.74 3fry s ILE 7 N 2.39 2.01 -0.17 5.43 1.01 -1.26 -5.12 121.20 125.50 3fry s ILE 7 Ca 0.49 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 3fry s ILE 7 Cb -0.19 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 3fry s ILE 7 CO 0.16 0.55 -0.09 -0.69 0.00 0.00 0.00 174.94 174.87 3fry s VAL 8 N 0.58 3.29 -0.10 2.92 1.01 -1.26 -5.10 120.40 121.74 3fry s VAL 8 Ca -0.13 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3fry s VAL 8 Cb -0.17 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3fry s VAL 8 CO 0.04 0.49 -0.20 -0.76 0.00 0.00 0.00 175.10 174.66 3fry s LEU 9 N 0.75 2.34 -0.00 3.92 1.43 -1.26 -5.10 118.68 120.75 3fry s LEU 9 Ca -0.04 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 3fry s LEU 9 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3fry s LEU 9 CO 0.02 0.19 0.81 -1.61 0.23 0.00 0.00 176.35 175.99 3fry s GLU 10 N 0.15 4.51 0.21 1.70 0.41 -1.26 -5.05 118.70 119.37 3fry s GLU 10 Ca -0.11 1.12 0.07 0.00 -0.41 0.00 0.00 54.97 55.65 3fry s GLU 10 Cb -0.16 -3.42 -0.04 0.00 -1.78 0.00 0.00 34.13 28.73 3fry s GLU 10 CO 0.06 0.11 0.08 -0.51 -0.49 0.00 0.00 175.26 174.51 3fry s LEU 11 N 0.53 3.53 0.03 1.80 1.43 -1.26 -5.13 118.68 119.61 3fry s LEU 11 Ca 0.42 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 3fry s LEU 11 Cb -0.20 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 43.94 3fry s LEU 11 CO 0.23 0.03 0.40 -0.94 0.23 0.00 0.00 176.35 176.30 3fry s SER 12 N -3.36 -0.27 0.00 2.29 1.04 -1.26 -4.93 113.70 107.21 3fry s SER 12 Ca 0.30 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3fry s SER 12 Cb -0.08 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3fry s SER 12 CO 0.22 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3fry n GLY 13 N 0.62 1.12 0.09 7.32 0.00 -1.26 -4.97 105.19 108.10 3fry n GLY 13 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3fry n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fry n LEU 14 N 0.00 0.81 -4.18 0.99 7.99 -1.26 -5.06 117.00 116.30 3fry n LEU 14 Ca 0.00 -0.78 -0.11 0.00 -0.01 0.00 0.00 56.01 55.11 3fry n LEU 14 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 3fry n LEU 14 CO 0.00 0.18 -0.38 -0.94 -1.51 0.00 0.00 177.39 174.75 3fry s SER 15 N -0.78 1.13 -0.49 -1.43 1.04 -1.26 -5.10 113.70 106.81 3fry s SER 15 Ca 0.03 -1.03 0.05 0.00 0.48 0.00 0.00 55.95 55.48 3fry s SER 15 Cb 0.03 0.10 0.19 0.00 0.10 0.00 0.00 66.02 66.44 3fry s SER 15 CO 0.09 -0.49 0.43 0.00 0.98 0.00 0.00 173.24 174.25 3fry h HIS 17 N 5.23 0.00 0.00 0.00 3.86 -2.01 -2.53 115.15 119.70 3fry h HIS 17 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3fry h HIS 17 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3fry h HIS 17 CO 0.40 0.39 0.00 -2.39 0.86 0.00 0.00 177.93 177.19 3fry n HIS 18 N -3.86 0.45 0.19 2.45 1.44 -1.26 -1.93 115.22 112.69 3fry n HIS 18 Ca -0.01 0.18 0.08 0.00 -2.01 0.00 0.00 57.72 55.96 3fry n HIS 18 Cb 0.45 -0.80 0.11 0.00 0.12 0.00 0.00 29.99 29.87 3fry n HIS 18 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3fry h VAL 20 N 0.00 1.02 -0.43 0.00 2.07 -1.51 -3.15 116.25 114.24 3fry h VAL 20 Ca -0.00 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.25 3fry h VAL 20 Cb 1.16 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3fry h VAL 20 CO 0.03 0.17 0.17 0.00 0.02 0.00 0.00 177.57 177.96 3fry h ALA 21 N 1.40 0.53 -0.40 1.67 0.00 -1.78 -1.64 119.26 119.03 3fry h ALA 21 Ca 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3fry h ALA 21 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fry h ALA 21 CO -0.18 -0.21 0.08 0.00 0.00 0.00 0.00 179.25 178.95 3fry h ARG 22 N 0.36 0.60 -0.28 0.00 3.08 -1.82 -1.24 114.38 115.08 3fry h ARG 22 Ca 0.20 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3fry h ARG 22 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3fry h ARG 22 CO -0.18 0.56 0.06 0.28 -1.07 0.00 0.00 179.97 179.62 3fry h VAL 23 N 0.59 1.22 -0.27 2.04 2.07 -1.41 0.11 116.25 120.60 3fry h VAL 23 Ca 0.13 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3fry h VAL 23 Cb 0.25 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3fry h VAL 23 CO -0.00 0.24 0.09 0.50 0.02 0.00 0.00 177.57 178.42 3fry h LYS 24 N 0.29 0.20 -0.31 1.57 3.64 -0.89 -1.14 116.57 119.94 3fry h LYS 24 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3fry h LYS 24 Cb 0.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3fry h LYS 24 CO 0.00 0.13 0.17 0.87 -2.27 0.00 0.00 179.45 178.35 3fry h LYS 25 N 0.21 0.44 -0.77 1.90 1.57 -1.04 -1.22 116.57 117.66 3fry h LYS 25 Ca 0.12 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3fry h LYS 25 Cb 0.10 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3fry h LYS 25 CO -0.13 0.38 0.49 0.00 -0.57 0.00 0.00 179.45 179.62 3fry h ALA 26 N 1.03 0.99 -0.58 3.86 0.00 -0.54 0.18 119.26 124.21 3fry h ALA 26 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3fry h ALA 26 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fry h ALA 26 CO -0.02 0.32 0.20 -0.07 0.00 0.00 0.00 179.25 179.68 3fry h LEU 27 N 0.97 0.83 -0.79 0.00 3.38 -0.93 -0.57 115.31 118.21 3fry h LEU 27 Ca 0.30 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3fry h LEU 27 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3fry h LEU 27 CO -0.10 0.81 0.02 -0.33 0.09 0.00 0.00 178.44 178.93 3fry h GLU 28 N 0.82 0.93 0.00 1.13 5.08 -0.66 -1.67 114.58 120.21 3fry h GLU 28 Ca 0.19 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3fry h GLU 28 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3fry h GLU 28 CO -0.01 0.91 -0.25 0.93 -1.00 0.00 0.00 179.01 179.59 3fry h GLU 29 N 0.86 0.00 -0.00 2.33 4.39 -0.26 -1.19 114.58 120.70 3fry h GLU 29 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3fry h GLU 29 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3fry h GLU 29 CO 0.02 0.25 -0.04 0.00 -1.16 0.00 0.00 179.01 178.08 3fry n ALA 30 N -2.46 2.61 0.00 3.43 0.00 -0.26 -4.91 120.51 118.92 3fry n ALA 30 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3fry n ALA 30 Cb 0.31 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3fry n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fry n GLY 31 N 1.24 0.68 3.89 0.00 0.00 -0.45 -4.77 105.19 105.78 3fry n GLY 31 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3fry n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fry s ALA 32 N -2.00 3.54 -0.37 4.61 0.00 -0.69 -4.91 121.76 121.94 3fry s ALA 32 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3fry s ALA 32 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.71 3fry s ALA 32 CO 0.00 0.23 0.22 0.21 0.00 0.00 0.00 175.76 176.42 3fry s LYS 33 N -3.47 2.95 -0.08 0.00 2.20 -0.32 -3.96 119.74 117.06 3fry s LYS 33 Ca 0.46 -1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 3fry s LYS 33 Cb -0.11 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 3fry s LYS 33 CO 0.28 -0.66 1.08 0.08 -0.36 0.00 0.00 175.35 175.78 3fry s VAL 34 N 1.59 4.57 -0.22 4.02 1.01 -1.26 0.29 120.40 130.40 3fry s VAL 34 Ca 0.03 1.86 0.01 0.00 0.00 0.00 0.00 61.98 63.88 3fry s VAL 34 Cb -0.19 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 31.80 3fry s VAL 34 CO 0.07 0.01 -0.08 -0.62 0.00 0.00 0.00 175.10 174.49 3fry n GLU 35 N 5.00 0.68 -3.61 2.72 -0.58 0.24 -4.94 120.64 120.15 3fry n GLU 35 Ca 0.09 0.17 -0.14 0.00 -0.42 0.00 0.00 57.16 56.86 3fry n GLU 35 Cb 0.48 -1.56 -0.07 0.00 -0.57 0.00 0.00 31.44 29.72 3fry n GLU 35 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3fry s LYS 36 N -2.53 0.82 -0.10 3.49 2.20 -0.71 -4.99 119.74 117.93 3fry s LYS 36 Ca -0.31 0.74 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 3fry s LYS 36 Cb 0.08 0.40 0.04 0.00 -1.51 0.00 0.00 37.83 36.84 3fry s LYS 36 CO 0.65 -0.15 0.23 0.54 -0.36 0.00 0.00 175.35 176.26 3fry s VAL 37 N -0.05 -0.03 0.00 4.02 0.11 -1.26 0.83 120.40 124.02 3fry s VAL 37 Ca -0.02 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3fry s VAL 37 Cb -0.04 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 3fry s VAL 37 CO 0.02 0.05 0.00 -0.90 -3.33 0.00 0.00 175.10 170.94 3fry n ASP 38 N 3.98 0.00 0.04 3.54 5.68 -0.35 -5.02 116.55 124.43 3fry n ASP 38 Ca -0.23 -0.78 0.05 0.00 -0.50 0.00 0.00 54.79 53.34 3fry n ASP 38 Cb 0.54 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.99 3fry n ASP 38 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3fry h LEU 39 N 0.00 0.38 0.00 -2.12 3.38 -1.98 -3.25 115.31 111.72 3fry h LEU 39 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fry h LEU 39 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3fry h LEU 39 CO 0.00 0.27 -1.30 0.59 0.09 0.00 0.00 178.44 178.09 3fry n ASN 40 N -4.49 0.98 -3.55 -0.43 3.02 -1.26 -5.05 115.26 104.48 3fry n ASN 40 Ca 0.02 -0.41 -0.11 0.00 -0.03 0.00 0.00 54.58 54.05 3fry n ASN 40 Cb 0.09 1.41 -0.04 0.00 -0.61 0.00 0.00 39.78 40.63 3fry n ASN 40 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3fry s GLU 41 N -2.87 1.14 -0.10 3.52 -1.05 -1.23 -5.10 118.70 113.02 3fry s GLU 41 Ca -0.00 -0.58 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 3fry s GLU 41 Cb 0.11 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.33 3fry s GLU 41 CO 0.68 -0.46 -0.11 0.00 0.95 0.00 0.00 175.26 176.32 3fry s ALA 42 N -3.67 1.38 -0.19 -0.84 0.00 -1.26 -1.21 121.76 115.98 3fry s ALA 42 Ca 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 3fry s ALA 42 Cb 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3fry s ALA 42 CO -0.11 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.51 3fry s VAL 43 N 1.17 3.38 0.18 0.00 1.01 0.24 -4.99 120.40 121.39 3fry s VAL 43 Ca -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3fry s VAL 43 Cb -0.14 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3fry s VAL 43 CO -0.03 0.46 0.02 0.68 0.00 0.00 0.00 175.10 176.23 3fry s VAL 44 N 1.07 0.62 -0.29 2.92 -7.23 -1.26 -0.59 120.40 115.63 3fry s VAL 44 Ca 0.01 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 3fry s VAL 44 Cb -0.15 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 3fry s VAL 44 CO -0.00 -0.42 0.17 0.00 -0.31 0.00 0.00 175.10 174.54 3fry s ALA 45 N -3.70 3.40 0.34 1.32 0.00 0.15 -4.89 121.76 118.38 3fry s ALA 45 Ca 0.26 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 3fry s ALA 45 Cb 0.06 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.79 3fry s ALA 45 CO 0.05 -0.70 0.59 0.41 0.00 0.00 0.00 175.76 176.11 3fry n GLY 46 N 5.03 1.62 3.64 0.00 0.00 -1.26 -1.17 105.19 113.05 3fry n GLY 46 Ca -0.14 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 3fry n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fry s ASN 47 N -2.95 5.94 0.65 1.61 0.01 -1.26 -4.97 114.94 113.97 3fry s ASN 47 Ca 0.21 0.09 0.40 0.00 -0.71 0.00 0.00 52.86 52.84 3fry s ASN 47 Cb -0.03 -2.06 2.21 0.00 0.41 0.00 0.00 41.25 41.78 3fry s ASN 47 CO 0.15 0.09 2.30 0.07 -1.51 0.00 0.00 177.10 178.20 3fry h LYS 48 N 7.34 0.00 0.00 -0.60 2.10 -2.01 0.26 116.57 123.67 3fry h LYS 48 Ca -0.38 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.20 3fry h LYS 48 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3fry h LYS 48 CO 0.67 0.00 -0.32 0.93 -2.00 0.00 0.00 179.45 178.72 3fry h GLU 49 N 0.00 0.00 -0.70 0.07 3.07 -2.07 -2.92 114.58 112.04 3fry h GLU 49 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3fry h GLU 49 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3fry h GLU 49 CO -0.00 0.32 0.00 -0.25 -1.40 0.00 0.00 179.01 177.68 3fry n ASP 50 N -4.12 4.05 -0.35 1.42 8.00 0.90 -4.55 116.55 121.91 3fry n ASP 50 Ca -0.02 -2.09 0.05 0.00 0.71 0.00 0.00 54.79 53.44 3fry n ASP 50 Cb 0.37 -0.49 0.20 0.00 -0.02 0.00 0.00 41.12 41.18 3fry n ASP 50 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fry h VAL 51 N 4.12 0.97 -0.38 2.53 2.07 -1.36 -0.17 116.25 124.03 3fry h VAL 51 Ca 0.00 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3fry h VAL 51 Cb 1.06 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3fry h VAL 51 CO 0.04 0.18 0.01 0.44 0.02 0.00 0.00 177.57 178.27 3fry h ASP 52 N 1.00 0.57 -0.45 0.57 3.32 -1.83 -0.75 116.42 118.85 3fry h ASP 52 Ca 0.46 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 3fry h ASP 52 Cb 0.37 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3fry h ASP 52 CO -0.23 0.63 -0.04 0.50 -1.72 0.00 0.00 179.24 178.37 3fry h LYS 53 N 0.58 0.82 -0.68 3.56 3.64 -1.41 -1.02 116.57 122.06 3fry h LYS 53 Ca 0.12 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 3fry h LYS 53 Cb 0.35 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3fry h LYS 53 CO 0.01 0.90 0.15 1.88 -2.27 0.00 0.00 179.45 180.12 3fry h TYR 54 N 0.66 1.15 -0.53 1.91 0.05 -0.65 -2.10 116.97 117.46 3fry h TYR 54 Ca 0.12 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 3fry h TYR 54 Cb 0.56 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3fry h TYR 54 CO 0.04 0.95 0.03 0.82 -1.05 0.00 0.00 178.16 178.95 3fry h ILE 55 N 1.02 1.26 -0.00 -2.88 2.04 -0.98 -2.50 117.51 115.46 3fry h ILE 55 Ca 0.21 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 3fry h ILE 55 Cb 0.39 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3fry h ILE 55 CO 0.01 0.37 -0.33 0.11 0.00 0.00 0.00 178.15 178.31 3fry h LYS 56 N 0.79 0.01 -0.33 2.37 1.57 -1.03 -1.74 116.57 118.21 3fry h LYS 56 Ca 0.15 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3fry h LYS 56 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3fry h LYS 56 CO 0.02 0.34 -0.38 0.00 -0.57 0.00 0.00 179.45 178.87 3fry h ALA 57 N 1.66 0.71 -0.50 3.86 0.00 -1.11 -0.30 119.26 123.58 3fry h ALA 57 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3fry h ALA 57 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3fry h ALA 57 CO 0.04 0.66 -0.19 0.28 0.00 0.00 0.00 179.25 180.04 3fry h VAL 58 N 0.64 1.27 -0.49 0.00 2.07 -1.02 -1.93 116.25 116.79 3fry h VAL 58 Ca 0.06 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 3fry h VAL 58 Cb 0.93 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3fry h VAL 58 CO 0.08 0.47 0.08 -0.33 0.02 0.00 0.00 177.57 177.90 3fry h GLU 59 N 0.87 0.81 0.00 1.57 5.08 -1.17 -1.75 114.58 119.99 3fry h GLU 59 Ca 0.12 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3fry h GLU 59 Cb 0.77 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fry h GLU 59 CO 0.06 0.81 -0.12 0.00 -1.00 0.00 0.00 179.01 178.76 3fry h ALA 60 N 0.97 1.77 0.00 3.43 0.00 -0.91 0.13 119.26 124.65 3fry h ALA 60 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fry h ALA 60 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fry h ALA 60 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3fry n ALA 61 N -2.51 2.05 0.00 0.00 0.00 -0.74 -4.87 120.51 114.44 3fry n ALA 61 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3fry n ALA 61 Cb 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3fry n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fry n GLY 62 N 0.75 1.28 0.00 0.00 0.00 0.45 -5.00 105.19 102.67 3fry n GLY 62 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3fry n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fry n TYR 63 N -1.18 0.00 -4.74 1.61 4.02 -0.70 -5.00 117.16 111.17 3fry n TYR 63 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 3fry n TYR 63 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 3fry n TYR 63 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3fry s GLN 64 N -1.54 1.32 0.02 -0.72 2.00 -1.26 -3.41 119.66 116.06 3fry s GLN 64 Ca 0.00 -0.65 0.02 0.00 -2.00 0.00 0.00 55.36 52.73 3fry s GLN 64 Cb 0.00 -1.30 -0.01 0.00 0.80 0.00 0.00 33.01 32.50 3fry s GLN 64 CO 0.00 0.35 -0.07 0.00 -0.50 0.00 0.00 175.29 175.07 3fry s ALA 65 N -0.48 0.58 -0.02 1.58 0.00 -1.26 -4.96 121.76 117.20 3fry s ALA 65 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3fry s ALA 65 Cb -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3fry s ALA 65 CO -0.00 0.07 0.07 0.21 0.00 0.00 0.00 175.76 176.10 3fry s LYS 66 N -0.87 0.07 0.29 0.00 2.20 -1.26 -4.97 119.74 115.21 3fry s LYS 66 Ca -0.03 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 3fry s LYS 66 Cb -0.06 0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.19 3fry s LYS 66 CO 0.00 -0.02 1.32 -1.17 -0.36 0.00 0.00 175.35 175.12 3fry s LEU 67 N 0.08 4.43 0.21 5.43 2.96 -1.26 -4.92 118.68 125.60 3fry s LEU 67 Ca -0.00 2.61 -0.32 0.00 -0.22 0.00 0.00 54.13 56.20 3fry s LEU 67 Cb -0.01 -3.64 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 3fry s LEU 67 CO -0.00 -0.54 1.71 -0.60 -1.32 0.00 0.00 176.35 175.60 3fry s ARG 68 N -1.24 4.13 0.03 1.98 3.52 -1.26 -4.95 118.95 121.15 3fry s ARG 68 Ca 0.52 2.59 -0.20 0.00 -0.13 0.00 0.00 55.73 58.51 3fry s ARG 68 Cb -0.39 -3.08 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 3fry s ARG 68 CO 0.48 -0.74 0.57 0.45 -0.81 0.00 0.00 175.30 175.25 3fry s SER 69 N 1.16 7.00 0.20 -2.12 0.15 -1.26 -4.96 113.70 113.86 3fry s SER 69 Ca 0.74 1.19 0.22 0.00 0.70 0.00 0.00 55.95 58.80 3fry s SER 69 Cb -0.49 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.45 3fry s SER 69 CO 0.32 0.19 1.03 -1.54 1.20 0.00 0.00 173.24 174.44 3fry n SER 70 N 2.26 0.84 0.21 5.45 3.41 -1.26 -4.66 113.62 119.87 3fry n SER 70 Ca -0.09 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 3fry n SER 70 Cb 0.51 0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 64.86 3fry n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fry h ALA 71 N 1.97 -0.61 -3.60 7.33 0.00 -2.02 -3.46 119.26 118.89 3fry h ALA 71 Ca -0.01 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 54.09 3fry h ALA 71 Cb 1.03 0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 3fry h ALA 71 CO 0.00 -0.57 -0.82 -1.58 0.00 0.00 0.00 179.25 176.29 3fry s TRP 72 N -3.58 2.44 0.00 0.00 0.52 -1.26 -5.35 118.94 111.71 3fry s TRP 72 Ca -0.09 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 55.72 3fry s TRP 72 Cb 0.01 -1.27 0.00 0.00 -1.15 0.00 0.00 33.47 31.06 3fry s TRP 72 CO 0.28 0.41 0.00 0.43 0.02 0.00 0.00 176.95 178.09