#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h92 h SER 2 N 0.00 -1.64 0.26 1.61 0.02 -2.08 0.44 113.55 112.16 1h92 h SER 2 Ca 0.00 0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1h92 h SER 2 Cb 0.00 0.73 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1h92 h SER 2 CO 0.00 -0.34 -0.29 1.55 -1.14 0.00 0.00 176.83 176.61 1h92 h PRO 3 N -0.24 0.05 -0.36 3.45 0.13 -2.07 -2.54 132.00 130.42 1h92 h PRO 3 Ca 0.16 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1h92 h PRO 3 Cb 0.56 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1h92 h PRO 3 CO -0.70 0.34 0.12 -0.07 -0.23 0.00 0.00 178.00 177.46 1h92 h LEU 4 N 0.05 0.46 -1.04 1.56 3.38 -0.68 -2.33 115.31 116.71 1h92 h LEU 4 Ca 0.01 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1h92 h LEU 4 Cb 0.54 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1h92 h LEU 4 CO 0.04 0.44 0.64 -0.61 0.09 0.00 0.00 178.44 179.04 1h92 h GLN 5 N 0.50 1.14 -0.94 1.13 4.15 -0.58 -1.12 115.11 119.40 1h92 h GLN 5 Ca 0.12 -0.07 0.22 0.00 0.77 0.00 0.00 58.65 59.69 1h92 h GLN 5 Cb 0.15 -0.26 -0.07 0.00 0.21 0.00 0.00 27.48 27.51 1h92 h GLN 5 CO -0.01 0.76 0.62 -0.44 -1.93 0.00 0.00 178.83 177.83 1h92 h ASP 6 N 1.18 0.43 -0.21 -0.69 3.32 -1.52 0.94 116.42 119.86 1h92 h ASP 6 Ca 0.42 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1h92 h ASP 6 Cb 0.13 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1h92 h ASP 6 CO -0.16 0.15 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1h92 n ASN 7 N -4.54 1.41 -4.87 6.45 5.03 -0.43 -4.85 115.26 113.47 1h92 n ASN 7 Ca 0.21 -2.06 -0.34 0.00 0.87 0.00 0.00 54.58 53.26 1h92 n ASN 7 Cb 0.74 -0.23 -0.05 0.00 -1.02 0.00 0.00 39.78 39.21 1h92 n ASN 7 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h92 s LEU 8 N -0.96 4.34 0.24 3.41 1.98 0.32 0.68 118.68 128.70 1h92 s LEU 8 Ca 0.15 0.73 -0.11 0.00 -2.89 0.00 0.00 54.13 52.00 1h92 s LEU 8 Cb 0.08 -3.00 -0.01 0.00 0.66 0.00 0.00 46.19 43.93 1h92 s LEU 8 CO 0.09 0.16 0.44 0.68 -1.89 0.00 0.00 176.35 175.83 1h92 s VAL 9 N -1.43 0.00 0.04 1.68 -7.23 -0.81 -3.44 120.40 109.21 1h92 s VAL 9 Ca 0.34 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1h92 s VAL 9 Cb -0.13 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1h92 s VAL 9 CO 0.19 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.19 1h92 s ILE 10 N -4.03 2.95 -0.50 -0.62 1.01 -1.14 -1.63 121.20 117.24 1h92 s ILE 10 Ca 0.24 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1h92 s ILE 10 Cb 0.00 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1h92 s ILE 10 CO 0.09 0.34 1.14 0.00 0.00 0.00 0.00 174.94 176.52 1h92 s ALA 11 N -0.94 3.12 0.32 9.38 0.00 -0.09 -2.85 121.76 130.71 1h92 s ALA 11 Ca 0.15 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.80 1h92 s ALA 11 Cb -0.11 -3.91 1.29 0.00 0.00 0.00 0.00 23.12 20.39 1h92 s ALA 11 CO 0.06 -2.34 1.99 -0.07 0.00 0.00 0.00 175.76 175.40 1h92 h LEU 12 N 11.35 0.00 -7.16 0.00 3.38 0.13 1.35 115.31 124.35 1h92 h LEU 12 Ca -0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1h92 h LEU 12 Cb 1.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 1h92 h LEU 12 CO 1.14 0.15 0.07 -1.00 0.09 0.00 0.00 178.44 178.89 1h92 s HIS 13 N -4.00 -0.45 0.32 1.13 3.76 -1.25 -4.68 115.29 110.12 1h92 s HIS 13 Ca -0.02 0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 55.10 1h92 s HIS 13 Cb 0.12 0.37 -0.10 0.00 1.11 0.00 0.00 32.58 34.08 1h92 s HIS 13 CO 0.60 -0.67 1.33 0.45 -0.85 0.00 0.00 174.74 175.60 1h92 s SER 14 N -2.03 6.74 0.23 1.40 0.15 -1.26 -4.33 113.70 114.61 1h92 s SER 14 Ca -0.05 2.69 -0.01 0.00 0.70 0.00 0.00 55.95 59.29 1h92 s SER 14 Cb -0.01 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1h92 s SER 14 CO -0.02 -0.57 0.43 -0.47 1.20 0.00 0.00 173.24 173.80 1h92 s TYR 15 N -0.95 3.48 -0.18 3.44 5.04 0.29 -4.92 117.35 123.55 1h92 s TYR 15 Ca 0.51 0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 55.45 1h92 s TYR 15 Cb -0.40 -1.89 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 1h92 s TYR 15 CO 0.52 0.32 0.03 -1.21 -1.34 0.00 0.00 175.55 173.87 1h92 s GLU 16 N -3.48 3.84 -1.20 4.97 8.01 -1.26 -4.12 118.70 125.47 1h92 s GLU 16 Ca 0.39 -0.41 -0.15 0.00 0.01 0.00 0.00 54.97 54.81 1h92 s GLU 16 Cb -0.11 -3.13 0.14 0.00 -4.31 0.00 0.00 34.13 26.72 1h92 s GLU 16 CO 0.30 0.21 1.47 -1.25 0.01 0.00 0.00 175.26 176.00 1h92 s PRO 17 N 0.52 4.01 0.00 0.39 0.04 -1.26 -4.75 135.00 133.95 1h92 s PRO 17 Ca 0.01 -2.35 0.31 0.00 0.04 0.00 0.00 61.00 59.02 1h92 s PRO 17 Cb -0.13 -5.16 1.74 0.00 0.04 0.00 0.00 34.50 30.99 1h92 s PRO 17 CO 0.02 -1.89 2.15 -1.13 0.04 0.00 0.00 177.00 176.19 1h92 n SER 18 N 6.41 0.00 -4.00 6.66 3.41 -1.26 -4.79 113.62 120.05 1h92 n SER 18 Ca 0.38 -0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 58.24 1h92 n SER 18 Cb 0.44 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1h92 n SER 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1h92 s HIS 19 N -2.23 0.36 0.10 7.33 3.76 -1.26 -5.12 115.29 118.23 1h92 s HIS 19 Ca 0.40 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.49 1h92 s HIS 19 Cb 0.21 -0.24 -0.08 0.00 1.11 0.00 0.00 32.58 33.58 1h92 s HIS 19 CO 0.40 -0.16 1.40 -0.51 -0.85 0.00 0.00 174.74 175.02 1h92 s ASP 20 N -1.46 6.82 0.00 1.40 1.01 -1.26 -2.65 116.67 120.53 1h92 s ASP 20 Ca -0.14 2.30 0.00 0.00 0.71 0.00 0.00 52.55 55.42 1h92 s ASP 20 Cb -0.10 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1h92 s ASP 20 CO -0.01 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.31 1h92 n GLY 21 N 3.53 0.55 3.95 0.21 0.00 -1.26 -5.08 105.19 107.10 1h92 n GLY 21 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1h92 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h92 s ASP 22 N -2.07 5.64 -0.16 1.61 1.11 -1.08 -2.94 116.67 118.78 1h92 s ASP 22 Ca 0.00 0.26 0.01 0.00 0.18 0.00 0.00 52.55 53.00 1h92 s ASP 22 Cb 0.00 -1.38 0.00 0.00 1.07 0.00 0.00 42.92 42.62 1h92 s ASP 22 CO 0.00 -0.88 -0.18 -0.22 1.18 0.00 0.00 175.17 175.08 1h92 s LEU 23 N -4.67 2.33 -0.78 1.23 2.96 -1.17 -4.70 118.68 113.87 1h92 s LEU 23 Ca 0.51 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1h92 s LEU 23 Cb -0.10 -1.52 0.36 0.00 0.50 0.00 0.00 46.19 45.43 1h92 s LEU 23 CO 0.39 0.07 1.72 0.61 -1.32 0.00 0.00 176.35 177.81 1h92 n GLY 24 N 4.17 5.75 3.06 7.98 0.00 -1.26 -4.65 105.19 120.25 1h92 n GLY 24 Ca -0.20 -2.58 -0.22 0.00 0.00 0.00 0.00 46.02 43.02 1h92 n GLY 24 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1h92 n PHE 25 N -0.41 -1.96 -3.89 1.61 -1.74 -1.26 -3.94 117.46 105.86 1h92 n PHE 25 Ca 0.48 0.13 -0.27 0.00 -0.56 0.00 0.00 57.45 57.24 1h92 n PHE 25 Cb 0.34 -1.42 -0.00 0.00 1.52 0.00 0.00 39.48 39.91 1h92 n PHE 25 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1h92 s GLU 26 N -3.22 2.24 0.18 3.97 0.41 -1.26 -0.55 118.70 120.47 1h92 s GLU 26 Ca 0.38 -2.05 -0.30 0.00 -0.41 0.00 0.00 54.97 52.59 1h92 s GLU 26 Cb -0.05 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.12 1h92 s GLU 26 CO 0.42 -0.66 1.33 0.21 -0.49 0.00 0.00 175.26 176.07 1h92 s LYS 27 N -4.31 4.37 0.00 1.61 2.20 -1.26 -2.24 119.74 120.12 1h92 s LYS 27 Ca 0.33 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1h92 s LYS 27 Cb -0.02 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1h92 s LYS 27 CO 0.21 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1h92 n GLY 28 N 2.59 2.56 3.67 5.54 0.00 0.46 -4.93 105.19 115.09 1h92 n GLY 28 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1h92 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h92 s GLU 29 N -0.41 4.18 0.18 1.61 2.02 -0.95 -4.40 118.70 120.92 1h92 s GLU 29 Ca 0.00 2.36 -0.30 0.00 0.02 0.00 0.00 54.97 57.05 1h92 s GLU 29 Cb 0.00 -3.83 -0.07 0.00 0.10 0.00 0.00 34.13 30.33 1h92 s GLU 29 CO 0.00 -0.82 0.97 -0.65 0.02 0.00 0.00 175.26 174.78 1h92 s GLN 30 N 3.42 4.75 0.08 1.61 -0.21 -1.26 -0.91 119.66 127.15 1h92 s GLN 30 Ca 0.77 1.50 0.03 0.00 0.02 0.00 0.00 55.36 57.69 1h92 s GLN 30 Cb -0.39 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 1h92 s GLN 30 CO 0.34 0.33 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.23 1h92 s LEU 31 N -0.58 2.38 -0.18 2.90 1.43 -0.65 -4.26 118.68 119.72 1h92 s LEU 31 Ca 0.45 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1h92 s LEU 31 Cb -0.25 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 1h92 s LEU 31 CO 0.32 -0.26 0.18 -0.60 0.23 0.00 0.00 176.35 176.22 1h92 s ARG 32 N -2.58 4.15 -0.30 1.70 3.52 0.28 -1.92 118.95 123.81 1h92 s ARG 32 Ca 0.02 -0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.22 1h92 s ARG 32 Cb -0.04 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1h92 s ARG 32 CO -0.00 0.32 1.42 0.42 -0.81 0.00 0.00 175.30 176.65 1h92 s ILE 33 N 0.27 3.95 -0.05 4.11 1.01 0.22 0.07 121.20 130.77 1h92 s ILE 33 Ca 0.11 1.06 -0.08 0.00 0.00 0.00 0.00 60.65 61.74 1h92 s ILE 33 Cb -0.12 -4.02 -0.29 0.00 0.01 0.00 0.00 42.46 38.04 1h92 s ILE 33 CO 0.00 -0.47 0.63 -0.07 0.00 0.00 0.00 174.94 175.04 1h92 h LEU 34 N 11.43 0.51 -8.33 2.97 3.38 0.17 -3.47 115.31 121.97 1h92 h LEU 34 Ca -0.29 -0.84 -0.16 0.00 0.09 0.00 0.00 57.88 56.69 1h92 h LEU 34 Cb 1.12 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 1h92 h LEU 34 CO 1.03 1.72 -0.67 -1.61 0.09 0.00 0.00 178.44 179.00 1h92 s GLU 35 N -2.58 0.73 -0.39 1.13 2.02 -0.73 -4.87 118.70 114.01 1h92 s GLU 35 Ca -0.16 -1.30 0.10 0.00 0.02 0.00 0.00 54.97 53.64 1h92 s GLU 35 Cb 0.06 0.15 0.33 0.00 0.10 0.00 0.00 34.13 34.77 1h92 s GLU 35 CO 0.83 -0.13 0.78 0.94 0.02 0.00 0.00 175.26 177.70 1h92 n GLN 36 N 0.03 0.95 -3.98 1.61 7.27 -1.26 -2.87 117.38 119.12 1h92 n GLN 36 Ca -0.11 -3.09 -0.24 0.00 0.07 0.00 0.00 57.00 53.63 1h92 n GLN 36 Cb 0.62 -1.54 -0.17 0.00 2.41 0.00 0.00 30.24 31.55 1h92 n GLN 36 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1h92 s SER 37 N -2.10 1.79 0.00 1.69 0.15 -1.26 -5.07 113.70 108.91 1h92 s SER 37 Ca 0.36 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1h92 s SER 37 Cb 0.32 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1h92 s SER 37 CO -0.08 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1h92 n GLY 38 N 4.75 -0.13 0.29 9.45 0.00 -1.26 -4.48 105.19 113.81 1h92 n GLY 38 Ca -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.03 1h92 n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h92 h GLU 39 N 0.00 0.55 -5.92 1.61 5.08 -1.99 -3.42 114.58 110.49 1h92 h GLU 39 Ca 0.00 -0.07 -0.62 0.00 -1.00 0.00 0.00 59.36 57.67 1h92 h GLU 39 Cb 0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1h92 h GLU 39 CO 0.00 0.46 -0.50 -1.58 -1.00 0.00 0.00 179.01 176.39 1h92 s TRP 40 N -5.28 3.51 0.16 4.33 0.52 -1.26 -3.75 118.94 117.16 1h92 s TRP 40 Ca -0.08 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.33 1h92 s TRP 40 Cb 0.17 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 1h92 s TRP 40 CO 0.75 0.59 -0.11 -1.58 0.02 0.00 0.00 176.95 176.62 1h92 s TRP 41 N -1.52 1.33 0.20 -1.98 0.51 -0.33 -4.27 118.94 112.88 1h92 s TRP 41 Ca 0.35 -0.73 -0.14 0.00 -2.12 0.00 0.00 56.10 53.45 1h92 s TRP 41 Cb -0.13 -0.67 -0.08 0.00 -0.81 0.00 0.00 33.47 31.79 1h92 s TRP 41 CO 0.28 0.12 0.61 0.21 -0.51 0.00 0.00 176.95 177.66 1h92 s LYS 42 N -3.73 4.00 0.20 4.98 2.20 -1.14 0.11 119.74 126.36 1h92 s LYS 42 Ca 0.18 0.54 -0.08 0.00 -0.36 0.00 0.00 55.97 56.25 1h92 s LYS 42 Cb 0.02 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 1h92 s LYS 42 CO 0.01 0.38 0.31 0.00 -0.36 0.00 0.00 175.35 175.70 1h92 s ALA 43 N -1.62 0.20 0.03 3.13 0.00 -0.79 0.19 121.76 122.90 1h92 s ALA 43 Ca 0.43 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 1h92 s ALA 43 Cb -0.14 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.02 1h92 s ALA 43 CO 0.20 -0.70 0.16 -1.14 0.00 0.00 0.00 175.76 174.28 1h92 s GLN 44 N -4.03 0.64 0.29 0.00 0.74 0.11 -0.81 119.66 116.60 1h92 s GLN 44 Ca 0.24 -0.63 -0.22 0.00 0.05 0.00 0.00 55.36 54.80 1h92 s GLN 44 Cb 0.03 0.26 -0.09 0.00 1.10 0.00 0.00 33.01 34.31 1h92 s GLN 44 CO 0.06 -0.18 0.83 0.45 -0.55 0.00 0.00 175.29 175.90 1h92 s SER 45 N -2.01 7.13 0.15 6.67 0.15 0.27 0.10 113.70 126.16 1h92 s SER 45 Ca -0.06 1.59 0.21 0.00 0.70 0.00 0.00 55.95 58.39 1h92 s SER 45 Cb -0.02 -2.49 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 1h92 s SER 45 CO -0.03 -0.06 0.92 -0.11 1.20 0.00 0.00 173.24 175.16 1h92 n LEU 46 N 0.45 0.74 -0.05 3.45 7.94 -1.26 -2.47 117.00 125.80 1h92 n LEU 46 Ca 0.01 0.29 -0.02 0.00 -1.11 0.00 0.00 56.01 55.18 1h92 n LEU 46 Cb 0.51 -0.02 -0.12 0.00 0.53 0.00 0.00 43.42 44.32 1h92 n LEU 46 CO 0.43 -0.10 -0.88 1.07 -1.11 0.00 0.00 177.39 176.80 1h92 n THR 47 N -2.67 0.66 -0.09 1.96 5.66 -1.26 -4.59 114.28 113.95 1h92 n THR 47 Ca -0.03 -0.53 -0.08 0.00 -3.05 0.00 0.00 64.05 60.36 1h92 n THR 47 Cb 0.61 -0.35 -0.16 0.00 -1.55 0.00 0.00 70.33 68.89 1h92 n THR 47 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1h92 n THR 48 N -2.37 1.26 -1.20 1.09 -1.04 -1.26 -4.99 114.28 105.77 1h92 n THR 48 Ca -0.17 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1h92 n THR 48 Cb 0.78 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1h92 n THR 48 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h92 n GLY 49 N 1.73 0.38 3.77 3.41 0.00 -1.03 -4.98 105.19 108.47 1h92 n GLY 49 Ca -0.30 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1h92 n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h92 s GLN 50 N -2.40 4.16 -0.10 1.61 0.74 -1.26 -4.74 119.66 117.67 1h92 s GLN 50 Ca 0.00 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.84 1h92 s GLN 50 Cb 0.00 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 1h92 s GLN 50 CO 0.00 0.40 -0.15 -1.21 -0.55 0.00 0.00 175.29 173.78 1h92 s GLU 51 N -0.16 3.06 0.07 1.67 2.02 -1.26 0.97 118.70 125.08 1h92 s GLU 51 Ca 0.24 -0.72 -0.26 0.00 0.02 0.00 0.00 54.97 54.25 1h92 s GLU 51 Cb -0.16 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.64 1h92 s GLU 51 CO 0.11 0.34 0.67 0.20 0.02 0.00 0.00 175.26 176.60 1h92 s GLY 52 N 0.02 -0.58 0.38 -1.39 0.00 0.01 -4.79 107.32 100.98 1h92 s GLY 52 Ca -0.05 0.83 -0.27 0.00 0.00 0.00 0.00 44.72 45.24 1h92 s GLY 52 CO 0.04 0.42 1.27 -1.36 0.00 0.00 0.00 173.10 173.48 1h92 s PHE 53 N -2.91 2.94 0.15 1.90 0.08 -1.15 -1.88 117.98 117.11 1h92 s PHE 53 Ca -0.02 1.44 0.03 0.00 0.12 0.00 0.00 56.93 58.51 1h92 s PHE 53 Cb -0.01 -3.61 -0.05 0.00 -0.57 0.00 0.00 43.02 38.78 1h92 s PHE 53 CO -0.06 -1.86 -0.05 0.96 -0.10 0.00 0.00 175.22 174.12 1h92 s ILE 54 N -1.26 0.87 0.48 0.64 -4.36 0.12 -3.05 121.20 114.64 1h92 s ILE 54 Ca 0.55 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.91 1h92 s ILE 54 Cb -0.37 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 1h92 s ILE 54 CO 0.48 -0.64 0.74 -2.16 0.24 0.00 0.00 174.94 173.60 1h92 s PRO 55 N -3.84 3.20 0.00 0.37 0.04 -1.26 -1.19 135.00 132.32 1h92 s PRO 55 Ca 0.19 -0.19 0.28 0.00 0.04 0.00 0.00 61.00 61.33 1h92 s PRO 55 Cb 0.05 -2.46 1.15 0.00 0.04 0.00 0.00 34.50 33.28 1h92 s PRO 55 CO 0.01 -0.30 1.80 1.97 0.04 0.00 0.00 177.00 180.52 1h92 n PHE 56 N -2.21 0.00 -0.06 0.56 -1.74 -1.25 -3.88 117.46 108.89 1h92 n PHE 56 Ca 0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.89 1h92 n PHE 56 Cb 0.57 -0.07 -0.16 0.00 1.52 0.00 0.00 39.48 41.33 1h92 n PHE 56 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1h92 n ASN 57 N -0.44 0.02 -0.02 5.98 2.85 -1.26 -4.26 115.26 118.13 1h92 n ASN 57 Ca 0.17 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.77 1h92 n ASN 57 Cb 0.30 1.42 0.49 0.00 1.24 0.00 0.00 39.78 43.23 1h92 n ASN 57 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1h92 n PHE 58 N -2.54 0.00 -4.39 1.20 3.01 -1.25 -4.79 117.46 108.70 1h92 n PHE 58 Ca -0.21 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.06 1h92 n PHE 58 Cb 0.91 -0.36 -0.14 0.00 -0.01 0.00 0.00 39.48 39.87 1h92 n PHE 58 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1h92 s VAL 59 N -2.93 0.96 0.13 -4.37 -7.23 -1.26 0.16 120.40 105.87 1h92 s VAL 59 Ca 0.15 -0.75 0.05 0.00 -1.81 0.00 0.00 61.98 59.63 1h92 s VAL 59 Cb 0.19 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1h92 s VAL 59 CO 0.58 0.10 -0.12 0.00 -0.31 0.00 0.00 175.10 175.35 1h92 s ALA 60 N -0.60 1.47 0.19 1.32 0.00 -1.13 -4.85 121.76 118.16 1h92 s ALA 60 Ca 0.02 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 1h92 s ALA 60 Cb -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1h92 s ALA 60 CO 0.00 0.02 1.36 0.15 0.00 0.00 0.00 175.76 177.29 1h92 s LYS 61 N -3.08 4.35 0.48 0.00 1.02 -1.26 -2.89 119.74 118.35 1h92 s LYS 61 Ca 0.12 2.11 0.14 0.00 0.02 0.00 0.00 55.97 58.36 1h92 s LYS 61 Cb -0.02 -3.19 1.12 0.00 -0.52 0.00 0.00 37.83 35.22 1h92 s LYS 61 CO 0.02 -0.33 2.08 0.00 -0.92 0.00 0.00 175.35 176.20 1h92 h ALA 62 N 5.63 1.97 0.00 5.17 0.00 -1.89 -3.48 119.26 126.66 1h92 h ALA 62 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1h92 h ALA 62 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1h92 h ALA 62 CO 0.80 -0.01 0.00 0.09 0.00 0.00 0.00 179.25 180.13