#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lya s PRO 2 N 0.00 3.73 -0.38 1.61 0.04 -1.26 -5.02 135.00 133.72 1lya s PRO 2 Ca 0.00 2.19 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 1lya s PRO 2 Cb 0.00 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1lya s PRO 2 CO 0.00 -0.70 0.27 0.42 0.04 0.00 0.00 177.00 177.02 1lya s ILE 3 N -1.29 5.24 0.05 0.56 -1.09 -1.26 -5.09 121.20 118.32 1lya s ILE 3 Ca 0.61 -0.47 -0.28 0.00 -2.23 0.00 0.00 60.65 58.28 1lya s ILE 3 Cb -0.39 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1lya s ILE 3 CO 0.49 -0.17 0.88 -2.84 -1.23 0.00 0.00 174.94 172.06 1lya s PRO 4 N 1.69 4.58 -0.16 2.79 0.02 -1.26 -5.05 135.00 137.61 1lya s PRO 4 Ca 0.05 1.27 0.01 0.00 0.02 0.00 0.00 61.00 62.35 1lya s PRO 4 Cb -0.18 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1lya s PRO 4 CO 0.10 0.16 -0.17 -1.21 -0.33 0.00 0.00 177.00 175.55 1lya s GLU 5 N 0.28 3.14 0.02 5.54 0.41 -1.26 -4.75 118.70 122.08 1lya s GLU 5 Ca 0.44 -0.78 -0.23 0.00 -0.41 0.00 0.00 54.97 53.99 1lya s GLU 5 Cb -0.21 -2.59 -0.05 0.00 -1.78 0.00 0.00 34.13 29.49 1lya s GLU 5 CO 0.26 -0.05 0.70 0.08 -0.49 0.00 0.00 175.26 175.77 1lya s VAL 6 N 0.95 4.82 0.04 2.63 1.01 -1.26 -5.06 120.40 123.52 1lya s VAL 6 Ca -0.03 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1lya s VAL 6 Cb -0.15 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1lya s VAL 6 CO -0.03 0.37 0.04 -0.76 0.00 0.00 0.00 175.10 174.72 1lya s LEU 7 N -0.02 3.65 0.31 3.92 1.43 -1.26 -4.53 118.68 122.18 1lya s LEU 7 Ca 0.36 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1lya s LEU 7 Cb -0.19 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1lya s LEU 7 CO 0.21 0.22 0.54 -0.54 0.23 0.00 0.00 176.35 177.01 1lya s LYS 8 N -2.00 3.55 -0.22 1.70 3.01 0.33 -4.92 119.74 121.18 1lya s LYS 8 Ca 0.24 -0.18 0.01 0.00 -1.01 0.00 0.00 55.97 55.04 1lya s LYS 8 Cb -0.12 -2.66 0.05 0.00 -1.01 0.00 0.00 37.83 34.09 1lya s LYS 8 CO 0.16 0.19 -0.08 1.21 0.51 0.00 0.00 175.35 177.34 1lya s ASN 9 N -3.59 3.73 -0.36 2.83 3.84 -1.26 -2.43 114.94 117.70 1lya s ASN 9 Ca 0.42 -1.09 -0.13 0.00 0.21 0.00 0.00 52.86 52.27 1lya s ASN 9 Cb -0.10 -1.23 0.00 0.00 -0.55 0.00 0.00 41.25 39.37 1lya s ASN 9 CO 0.33 -0.20 0.24 -0.47 -2.79 0.00 0.00 177.10 174.21 1lya s TYR 10 N 1.37 3.23 -1.21 0.43 5.04 0.15 -4.72 117.35 121.63 1lya s TYR 10 Ca -0.04 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1lya s TYR 10 Cb -0.18 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.64 1lya s TYR 10 CO -0.07 -0.50 0.00 -1.33 -1.34 0.00 0.00 175.55 172.31 1lya n MET 11 N 5.08 -1.75 -1.47 4.97 2.81 -1.26 -1.08 117.12 124.41 1lya n MET 11 Ca -0.12 0.68 -0.17 0.00 -1.81 0.00 0.00 57.70 56.28 1lya n MET 11 Cb 0.48 -5.10 -0.07 0.00 -0.71 0.00 0.00 33.22 27.82 1lya n MET 11 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1lya n ASP 12 N -1.14 -5.13 -0.01 7.83 8.00 -1.26 -4.80 116.55 120.04 1lya n ASP 12 Ca -0.14 0.41 -0.01 0.00 0.71 0.00 0.00 54.79 55.76 1lya n ASP 12 Cb 0.52 -4.35 -0.02 0.00 -0.02 0.00 0.00 41.12 37.25 1lya n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lya n ALA 13 N 1.16 1.94 -3.95 2.24 0.00 -0.24 -5.00 120.51 116.66 1lya n ALA 13 Ca -0.17 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1lya n ALA 13 Cb 0.61 0.26 -0.17 0.00 0.00 0.00 0.00 19.45 20.15 1lya n ALA 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1lya s GLN 14 N -2.06 1.80 -0.15 0.00 -0.21 -0.43 -5.01 119.66 113.60 1lya s GLN 14 Ca -0.02 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.97 1lya s GLN 14 Cb 0.01 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1lya s GLN 14 CO 0.09 -0.28 -0.18 0.71 -2.12 0.00 0.00 175.29 173.51 1lya s TYR 15 N 1.62 2.73 0.13 0.91 1.51 -1.26 -0.68 117.35 122.31 1lya s TYR 15 Ca 0.04 -1.17 -0.01 0.00 -1.01 0.00 0.00 57.07 54.93 1lya s TYR 15 Cb -0.13 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1lya s TYR 15 CO -0.09 -0.53 0.04 1.52 -1.11 0.00 0.00 175.55 175.38 1lya s TYR 16 N 0.81 0.86 0.25 2.71 1.13 -1.02 -4.44 117.35 117.66 1lya s TYR 16 Ca -0.06 -1.20 -0.04 0.00 -1.41 0.00 0.00 57.07 54.36 1lya s TYR 16 Cb -0.15 -0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 40.19 1lya s TYR 16 CO -0.01 -0.47 0.32 0.20 -2.51 0.00 0.00 175.55 173.08 1lya s GLY 17 N -3.05 1.24 -0.10 5.49 0.00 0.21 -0.51 107.32 110.59 1lya s GLY 17 Ca 0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 1lya s GLY 17 CO 0.01 -1.08 0.02 1.85 0.00 0.00 0.00 173.10 173.90 1lya s GLU 18 N -3.84 3.15 0.17 2.90 2.12 -1.26 -0.86 118.70 121.09 1lya s GLU 18 Ca 0.32 -0.37 -0.00 0.00 0.36 0.00 0.00 54.97 55.28 1lya s GLU 18 Cb 0.03 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1lya s GLU 18 CO 0.14 0.66 0.07 0.96 -0.54 0.00 0.00 175.26 176.55 1lya s ILE 19 N -0.75 0.19 0.07 -3.70 -4.36 -0.61 -3.85 121.20 108.18 1lya s ILE 19 Ca 0.12 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.64 1lya s ILE 19 Cb -0.12 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1lya s ILE 19 CO 0.02 -0.28 -0.22 -0.83 0.24 0.00 0.00 174.94 173.87 1lya s GLY 20 N -3.12 1.24 -0.11 6.27 0.00 -0.60 -1.38 107.32 109.61 1lya s GLY 20 Ca 0.30 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1lya s GLY 20 CO 0.06 -1.14 -0.18 -0.42 0.00 0.00 0.00 173.10 171.42 1lya s ILE 21 N -0.95 1.73 0.00 0.90 -1.09 -0.55 -1.24 121.20 120.00 1lya s ILE 21 Ca 0.08 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1lya s ILE 21 Cb -0.09 -1.54 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1lya s ILE 21 CO 0.03 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1lya n GLY 22 N 4.02 1.61 2.96 6.18 0.00 -0.72 -1.03 105.19 118.21 1lya n GLY 22 Ca -0.20 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.53 1lya n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lya s THR 23 N -2.09 1.27 0.77 2.61 2.01 -1.26 -2.21 115.64 116.75 1lya s THR 23 Ca 0.00 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 1lya s THR 23 Cb 0.00 -1.24 0.06 0.00 0.01 0.00 0.00 72.50 71.33 1lya s THR 23 CO 0.00 0.41 1.10 -2.84 -0.69 0.00 0.00 174.62 172.60 1lya s PRO 24 N 1.59 2.21 0.16 4.92 0.02 -1.26 -0.89 135.00 141.75 1lya s PRO 24 Ca 0.05 1.25 -0.33 0.00 0.02 0.00 0.00 61.00 61.99 1lya s PRO 24 Cb -0.13 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 1lya s PRO 24 CO -0.09 -1.69 1.71 -2.30 -0.33 0.00 0.00 177.00 174.30 1lya n PRO 25 N -3.42 2.54 -3.51 5.54 -0.02 -0.94 -4.91 135.00 130.27 1lya n PRO 25 Ca 0.10 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 62.12 1lya n PRO 25 Cb 0.53 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 1lya n PRO 25 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1lya s GLN 26 N 1.57 4.18 -0.05 -0.52 -0.21 -0.19 -4.87 119.66 119.58 1lya s GLN 26 Ca 0.79 0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.99 1lya s GLN 26 Cb -0.57 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 1lya s GLN 26 CO 0.36 0.09 0.65 0.00 -2.12 0.00 0.00 175.29 174.27 1lya s PHE 28 N 0.42 1.55 -0.08 0.00 0.40 -0.48 -4.98 117.98 114.82 1lya s PHE 28 Ca 0.34 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1lya s PHE 28 Cb -0.18 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1lya s PHE 28 CO 0.17 0.14 -0.09 0.95 0.70 0.00 0.00 175.22 177.09 1lya s THR 29 N -3.23 3.53 0.05 0.64 -4.23 -1.26 -1.58 115.64 109.57 1lya s THR 29 Ca 0.23 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1lya s THR 29 Cb 0.03 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1lya s THR 29 CO 0.06 0.58 -0.04 0.68 -0.54 0.00 0.00 174.62 175.36 1lya s VAL 30 N -0.59 0.34 -0.14 2.29 -7.23 -0.04 -4.89 120.40 110.14 1lya s VAL 30 Ca 0.09 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1lya s VAL 30 Cb -0.12 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1lya s VAL 30 CO 0.02 -0.77 0.19 0.54 -0.31 0.00 0.00 175.10 174.77 1lya s VAL 31 N -2.91 5.40 -0.73 1.32 0.11 -1.26 -0.62 120.40 121.70 1lya s VAL 31 Ca 0.00 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.17 1lya s VAL 31 Cb 0.01 -3.49 0.10 0.00 -1.53 0.00 0.00 36.38 31.46 1lya s VAL 31 CO -0.05 0.52 0.97 -0.36 -3.33 0.00 0.00 175.10 172.85 1lya s PHE 32 N -0.34 2.88 -0.44 1.54 0.08 -1.26 -4.98 117.98 115.46 1lya s PHE 32 Ca 0.14 -0.90 -0.18 0.00 0.12 0.00 0.00 56.93 56.11 1lya s PHE 32 Cb -0.12 -4.24 0.03 0.00 -0.57 0.00 0.00 43.02 38.12 1lya s PHE 32 CO 0.03 -1.53 0.49 0.34 -0.10 0.00 0.00 175.22 174.44 1lya s ASP 33 N 3.65 6.21 -0.01 1.36 2.15 -1.26 -4.94 116.67 123.83 1lya s ASP 33 Ca 0.24 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.50 1lya s ASP 33 Cb -0.14 -2.24 0.07 0.00 -0.30 0.00 0.00 42.92 40.30 1lya s ASP 33 CO 0.03 -0.66 0.93 0.35 -0.17 0.00 0.00 175.17 175.65 1lya n THR 34 N 5.49 0.14 0.66 1.71 -2.24 -1.26 -3.23 114.28 115.55 1lya n THR 34 Ca -0.07 -0.11 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1lya n THR 34 Cb 0.47 -0.10 0.08 0.00 -2.10 0.00 0.00 70.33 68.67 1lya n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lya n GLY 35 N 0.45 0.44 3.43 3.38 0.00 -1.26 -5.00 105.19 106.63 1lya n GLY 35 Ca 0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1lya n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lya s SER 36 N -1.41 1.09 0.00 1.61 1.04 -1.20 -5.09 113.70 109.74 1lya s SER 36 Ca 0.21 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1lya s SER 36 Cb 0.15 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1lya s SER 36 CO 0.22 -1.23 0.44 -1.20 0.98 0.00 0.00 173.24 172.45 1lya n SER 37 N -1.41 0.58 -4.91 7.02 7.64 -1.26 -4.91 113.62 116.36 1lya n SER 37 Ca 0.03 -1.19 -0.28 0.00 1.01 0.00 0.00 58.87 58.44 1lya n SER 37 Cb 0.62 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1lya n SER 37 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1lya s ASN 38 N -0.19 6.19 -0.08 6.43 -0.87 -1.26 -5.10 114.94 120.06 1lya s ASN 38 Ca 0.00 0.15 0.02 0.00 -1.57 0.00 0.00 52.86 51.46 1lya s ASN 38 Cb 0.00 -1.84 -0.02 0.00 -0.02 0.00 0.00 41.25 39.37 1lya s ASN 38 CO 0.00 0.09 -0.14 -0.22 -2.57 0.00 0.00 177.10 174.27 1lya s LEU 39 N -2.96 2.72 -0.07 0.60 2.96 -1.26 -5.07 118.68 115.60 1lya s LEU 39 Ca 0.34 -0.25 -0.26 0.00 -0.22 0.00 0.00 54.13 53.74 1lya s LEU 39 Cb -0.12 -1.57 0.06 0.00 0.50 0.00 0.00 46.19 45.06 1lya s LEU 39 CO 0.27 0.27 0.59 -1.66 -1.32 0.00 0.00 176.35 174.50 1lya s TRP 40 N -0.30 -0.55 0.10 5.38 1.48 -1.26 -5.10 118.94 118.68 1lya s TRP 40 Ca 0.02 1.01 -0.01 0.00 -1.06 0.00 0.00 56.10 56.06 1lya s TRP 40 Cb -0.13 0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 32.46 1lya s TRP 40 CO 0.03 -0.52 0.01 0.14 -4.06 0.00 0.00 176.95 172.55 1lya s VAL 41 N -1.01 0.19 0.44 -0.66 -7.23 -1.26 -5.08 120.40 105.80 1lya s VAL 41 Ca -0.10 -1.87 -0.24 0.00 -1.81 0.00 0.00 61.98 57.95 1lya s VAL 41 Cb -0.02 -1.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.03 1lya s VAL 41 CO 0.07 -0.70 1.26 -2.84 -0.31 0.00 0.00 175.10 172.58 1lya s PRO 42 N -3.98 3.80 0.28 4.82 0.02 -1.26 -4.91 135.00 133.77 1lya s PRO 42 Ca 0.17 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 63.07 1lya s PRO 42 Cb 0.08 -2.58 -0.08 0.00 0.02 0.00 0.00 34.50 31.93 1lya s PRO 42 CO -0.03 -0.59 0.68 0.45 -0.33 0.00 0.00 177.00 177.18 1lya s SER 43 N -0.99 6.77 0.17 2.53 0.15 -1.26 -0.44 113.70 120.63 1lya s SER 43 Ca 0.61 1.20 0.20 0.00 0.70 0.00 0.00 55.95 58.66 1lya s SER 43 Cb -0.35 -2.34 0.85 0.00 -1.71 0.00 0.00 66.02 62.47 1lya s SER 43 CO 0.44 -0.13 1.61 2.30 1.20 0.00 0.00 173.24 178.65 1lya n ILE 44 N -0.13 0.94 -1.12 6.45 -5.35 -0.23 -2.32 119.36 117.60 1lya n ILE 44 Ca 0.02 0.28 -0.24 0.00 -0.27 0.00 0.00 62.75 62.54 1lya n ILE 44 Cb 0.53 -1.16 0.16 0.00 -1.74 0.00 0.00 39.64 37.42 1lya n ILE 44 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1lya n HIS 45 N -1.99 2.92 -2.50 4.28 8.25 -1.26 -4.98 115.22 119.93 1lya n HIS 45 Ca 0.02 -1.90 -0.34 0.00 -0.26 0.00 0.00 57.72 55.24 1lya n HIS 45 Cb 0.19 -0.97 -0.03 0.00 1.12 0.00 0.00 29.99 30.30 1lya n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lya s LYS 47 N -3.26 2.39 0.26 0.00 1.02 -1.26 -4.91 119.74 113.97 1lya s LYS 47 Ca 0.68 0.95 -0.03 0.00 0.02 0.00 0.00 55.97 57.59 1lya s LYS 47 Cb -0.17 -1.93 0.40 0.00 -0.52 0.00 0.00 37.83 35.61 1lya s LYS 47 CO 0.21 -1.49 1.88 1.25 -0.92 0.00 0.00 175.35 176.28 1lya h LEU 48 N -1.00 1.00 -1.68 3.17 6.46 -2.01 -0.58 115.31 120.66 1lya h LEU 48 Ca -0.45 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.34 1lya h LEU 48 Cb 1.23 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1lya h LEU 48 CO 0.55 0.64 0.46 -0.07 -0.62 0.00 0.00 178.44 179.40 1lya h LEU 49 N 1.14 0.00 -7.85 2.25 4.07 -2.04 -3.34 115.31 109.54 1lya h LEU 49 Ca 0.43 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 57.67 1lya h LEU 49 Cb 0.18 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 41.73 1lya h LEU 49 CO -0.18 0.00 0.97 -0.62 -1.08 0.00 0.00 178.44 177.54 1lya s ASP 50 N -4.30 6.83 0.24 -0.43 2.15 -0.23 -4.79 116.67 116.14 1lya s ASP 50 Ca -0.03 -2.51 -0.07 0.00 0.43 0.00 0.00 52.55 50.37 1lya s ASP 50 Cb 0.08 -2.38 0.23 0.00 -0.30 0.00 0.00 42.92 40.55 1lya s ASP 50 CO 0.27 -0.88 1.91 0.40 -0.17 0.00 0.00 175.17 176.70 1lya h ILE 51 N 5.24 1.25 -0.95 4.11 2.04 -1.84 -2.08 117.51 125.27 1lya h ILE 51 Ca 0.22 -0.47 0.20 0.00 1.00 0.00 0.00 64.86 65.80 1lya h ILE 51 Cb 0.96 -0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1lya h ILE 51 CO 1.13 0.24 0.61 0.00 0.00 0.00 0.00 178.15 180.14 1lya h ALA 52 N 1.34 2.02 0.00 1.87 0.00 -1.94 -0.35 119.26 122.19 1lya h ALA 52 Ca 0.34 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1lya h ALA 52 Cb -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1lya h ALA 52 CO -0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 179.25 178.53 1lya h TRP 54 N 0.00 0.53 -0.55 0.00 6.55 -1.10 -2.90 115.95 118.48 1lya h TRP 54 Ca -0.00 -0.11 -0.02 0.00 0.95 0.00 0.00 58.89 59.71 1lya h TRP 54 Cb 0.70 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.86 1lya h TRP 54 CO 0.00 0.68 0.02 0.44 -1.05 0.00 0.00 178.44 178.53 1lya n ILE 55 N -4.13 2.74 -4.43 1.49 -5.35 -1.06 -4.96 119.36 103.66 1lya n ILE 55 Ca -0.00 -1.49 -0.22 0.00 -0.27 0.00 0.00 62.75 60.76 1lya n ILE 55 Cb 0.39 -0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 37.95 1lya n ILE 55 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1lya n HIS 56 N 0.41 0.08 -3.25 4.28 8.25 -1.10 -5.12 115.22 118.78 1lya n HIS 56 Ca 0.28 -2.31 -0.38 0.00 -0.26 0.00 0.00 57.72 55.05 1lya n HIS 56 Cb 1.19 0.01 -0.06 0.00 1.12 0.00 0.00 29.99 32.25 1lya n HIS 56 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1lya s HIS 57 N -2.91 3.80 0.05 4.41 3.76 -1.26 -4.99 115.29 118.15 1lya s HIS 57 Ca 0.19 1.29 0.07 0.00 -0.15 0.00 0.00 55.06 56.46 1lya s HIS 57 Cb 0.01 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 1lya s HIS 57 CO 0.13 0.57 -0.18 0.15 -0.85 0.00 0.00 174.74 174.56 1lya s LYS 58 N -1.19 2.05 0.01 1.40 1.02 -1.26 -4.24 119.74 117.53 1lya s LYS 58 Ca 0.30 -1.00 -0.19 0.00 0.02 0.00 0.00 55.97 55.10 1lya s LYS 58 Cb -0.19 -2.19 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 1lya s LYS 58 CO 0.20 0.53 0.55 -0.47 -0.92 0.00 0.00 175.35 175.24 1lya s TYR 59 N -0.95 3.71 -0.27 3.18 5.04 0.41 -4.64 117.35 123.83 1lya s TYR 59 Ca 0.15 1.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.96 1lya s TYR 59 Cb -0.11 -2.53 0.05 0.00 0.35 0.00 0.00 41.96 39.73 1lya s TYR 59 CO 0.06 0.44 -0.08 1.21 -1.34 0.00 0.00 175.55 175.84 1lya s ASN 60 N -0.48 4.48 0.33 4.32 2.47 -1.26 -1.07 114.94 123.73 1lya s ASN 60 Ca 0.29 -1.28 0.04 0.00 0.42 0.00 0.00 52.86 52.33 1lya s ASN 60 Cb -0.18 -1.60 0.58 0.00 -1.45 0.00 0.00 41.25 38.60 1lya s ASN 60 CO 0.17 -0.19 1.86 0.77 -3.72 0.00 0.00 177.10 175.99 1lya h SER 61 N 7.86 0.50 0.54 -4.21 4.64 -1.97 -2.28 113.55 118.63 1lya h SER 61 Ca -0.22 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1lya h SER 61 Cb 1.06 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1lya h SER 61 CO 0.50 0.58 0.00 0.47 -0.87 0.00 0.00 176.83 177.51 1lya n ASP 62 N -4.27 0.24 -1.21 4.97 8.00 -1.26 -1.13 116.55 121.88 1lya n ASP 62 Ca 0.01 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.15 1lya n ASP 62 Cb 0.25 -0.61 0.27 0.00 -0.02 0.00 0.00 41.12 41.01 1lya n ASP 62 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1lya n LYS 63 N -1.76 2.86 -4.85 -1.24 5.02 -0.86 -4.88 118.16 112.44 1lya n LYS 63 Ca 0.03 -2.12 -0.28 0.00 -2.02 0.00 0.00 58.31 53.91 1lya n LYS 63 Cb 0.18 -1.66 -0.17 0.00 -0.02 0.00 0.00 35.03 33.36 1lya n LYS 63 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lya s SER 64 N -0.85 2.43 0.37 4.39 0.15 -0.29 -4.30 113.70 115.59 1lya s SER 64 Ca 0.38 -0.43 0.20 0.00 0.70 0.00 0.00 55.95 56.80 1lya s SER 64 Cb 0.23 -1.11 0.38 0.00 -1.71 0.00 0.00 66.02 63.82 1lya s SER 64 CO 0.21 0.09 1.60 0.77 1.20 0.00 0.00 173.24 177.10 1lya h SER 65 N 6.90 0.00 -0.58 5.45 4.64 -1.31 -3.27 113.55 125.38 1lya h SER 65 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1lya h SER 65 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1lya h SER 65 CO 0.48 0.30 0.05 0.35 -0.87 0.00 0.00 176.83 177.14 1lya n THR 66 N -3.23 2.66 -2.82 2.95 -2.24 -1.26 -4.97 114.28 105.36 1lya n THR 66 Ca 0.02 -1.36 -0.41 0.00 -2.27 0.00 0.00 64.05 60.03 1lya n THR 66 Cb 0.60 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1lya n THR 66 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1lya s TYR 67 N -2.71 3.80 -0.09 4.78 5.04 -1.24 -4.39 117.35 122.54 1lya s TYR 67 Ca 0.52 1.69 0.03 0.00 -2.44 0.00 0.00 57.07 56.86 1lya s TYR 67 Cb 0.40 -2.96 0.01 0.00 0.35 0.00 0.00 41.96 39.76 1lya s TYR 67 CO 0.15 0.25 -0.17 0.08 -1.34 0.00 0.00 175.55 174.52 1lya s VAL 68 N -0.11 1.56 0.61 3.14 1.01 -0.00 -4.99 120.40 121.62 1lya s VAL 68 Ca 0.43 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1lya s VAL 68 Cb -0.22 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1lya s VAL 68 CO 0.27 0.45 1.04 -1.59 0.00 0.00 0.00 175.10 175.27 1lya s LYS 69 N 0.68 3.38 0.00 2.72 -2.85 -1.26 -1.49 119.74 120.92 1lya s LYS 69 Ca -0.13 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 55.83 1lya s LYS 69 Cb -0.16 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 1lya s LYS 69 CO 0.03 -0.75 0.00 -1.71 0.10 0.00 0.00 175.35 173.03 1lya n ASN 70 N -2.42 0.00 0.00 0.03 2.85 -1.25 -4.79 115.26 109.69 1lya n ASN 70 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1lya n ASN 70 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1lya n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lya n GLY 71 N 1.81 1.86 3.57 8.20 0.00 0.46 -4.90 105.19 116.19 1lya n GLY 71 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1lya n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1lya n THR 72 N -1.03 0.55 -1.93 2.61 -1.04 -1.26 -4.33 114.28 107.85 1lya n THR 72 Ca 0.00 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 1lya n THR 72 Cb 0.00 -0.77 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 1lya n THR 72 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1lya s SER 73 N 0.15 6.10 0.03 8.00 1.04 -1.26 0.21 113.70 127.97 1lya s SER 73 Ca 0.78 1.52 -0.04 0.00 0.48 0.00 0.00 55.95 58.69 1lya s SER 73 Cb -0.91 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 62.70 1lya s SER 73 CO 0.51 -0.95 0.06 0.72 0.98 0.00 0.00 173.24 174.55 1lya s PHE 74 N -2.98 0.25 -0.15 5.02 -0.71 -0.48 -4.81 117.98 114.12 1lya s PHE 74 Ca 0.57 -0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1lya s PHE 74 Cb -0.12 -0.18 0.06 0.00 -1.21 0.00 0.00 43.02 41.58 1lya s PHE 74 CO 0.48 -0.33 0.13 0.34 -1.34 0.00 0.00 175.22 174.50 1lya s ASP 75 N -2.06 1.74 -0.15 1.98 2.15 -1.26 -2.40 116.67 116.68 1lya s ASP 75 Ca -0.06 -0.30 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 1lya s ASP 75 Cb -0.02 -0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.57 1lya s ASP 75 CO -0.04 -0.32 -0.07 -0.63 -0.17 0.00 0.00 175.17 173.94 1lya s ILE 76 N 2.21 3.60 -0.19 4.11 1.01 -0.40 -5.00 121.20 126.54 1lya s ILE 76 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1lya s ILE 76 Cb -0.15 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1lya s ILE 76 CO -0.09 0.51 -0.17 -1.00 0.00 0.00 0.00 174.94 174.19 1lya s HIS 77 N 0.34 2.84 0.49 3.97 3.76 -1.26 -1.29 115.29 124.13 1lya s HIS 77 Ca -0.06 -1.55 -0.00 0.00 -0.15 0.00 0.00 55.06 53.29 1lya s HIS 77 Cb -0.15 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1lya s HIS 77 CO 0.04 -0.77 0.72 0.71 -0.85 0.00 0.00 174.74 174.59 1lya s TYR 78 N 1.32 3.16 -1.49 1.40 2.02 0.14 -4.98 117.35 118.92 1lya s TYR 78 Ca 0.04 0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.85 1lya s TYR 78 Cb -0.14 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.00 1lya s TYR 78 CO -0.11 -0.51 2.36 0.41 -1.57 0.00 0.00 175.55 176.13 1lya n GLY 79 N -2.19 4.40 0.00 0.71 0.00 -1.26 -3.71 105.19 103.15 1lya n GLY 79 Ca 0.03 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1lya n GLY 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lya n SER 80 N 5.58 0.00 -4.97 1.61 3.41 -1.26 -5.15 113.62 112.84 1lya n SER 80 Ca 0.57 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.96 1lya n SER 80 Cb 0.36 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1lya n SER 80 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1lya s GLY 81 N 0.00 1.45 0.02 5.00 0.00 -1.24 -5.13 107.32 107.42 1lya s GLY 81 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.51 1lya s GLY 81 CO 0.00 -1.14 -0.04 -0.56 0.00 0.00 0.00 173.10 171.37 1lya s SER 82 N -4.11 0.37 0.26 1.64 0.01 -1.26 0.27 113.70 110.88 1lya s SER 82 Ca 0.42 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 57.02 1lya s SER 82 Cb -0.10 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1lya s SER 82 CO 0.33 -0.24 0.68 -1.48 0.41 0.00 0.00 173.24 172.94 1lya s LEU 83 N -1.33 -0.23 0.27 2.44 2.34 -0.41 -5.00 118.68 116.75 1lya s LEU 83 Ca -0.13 -0.57 -0.18 0.00 0.06 0.00 0.00 54.13 53.31 1lya s LEU 83 Cb -0.09 2.62 0.01 0.00 -0.56 0.00 0.00 46.19 48.18 1lya s LEU 83 CO -0.01 -1.29 0.63 -0.94 -1.06 0.00 0.00 176.35 173.68 1lya s SER 84 N -2.91 -0.18 0.00 1.48 1.04 -1.26 -1.27 113.70 110.60 1lya s SER 84 Ca 0.11 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1lya s SER 84 Cb -0.05 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1lya s SER 84 CO 0.05 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1lya n GLY 85 N -0.43 -0.66 3.34 7.32 0.00 -1.01 -5.01 105.19 108.74 1lya n GLY 85 Ca -0.03 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 1lya n GLY 85 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lya s TYR 86 N -4.00 1.64 0.34 1.61 1.13 -1.26 -1.39 117.35 115.42 1lya s TYR 86 Ca 0.00 -0.72 -0.04 0.00 -1.41 0.00 0.00 57.07 54.90 1lya s TYR 86 Cb 0.00 -0.86 -0.05 0.00 -1.10 0.00 0.00 41.96 39.96 1lya s TYR 86 CO 0.00 0.20 0.60 -0.51 -2.51 0.00 0.00 175.55 173.33 1lya s LEU 87 N -3.31 3.97 0.26 -3.49 1.43 0.13 -4.86 118.68 112.81 1lya s LEU 87 Ca 0.24 0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 53.96 1lya s LEU 87 Cb 0.02 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 1lya s LEU 87 CO 0.07 -0.29 0.45 -0.44 0.23 0.00 0.00 176.35 176.38 1lya s SER 88 N -3.49 0.08 -0.00 2.29 0.01 -1.26 -0.40 113.70 110.93 1lya s SER 88 Ca 0.44 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.67 1lya s SER 88 Cb -0.10 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 1lya s SER 88 CO 0.33 -1.15 -0.09 -1.58 0.41 0.00 0.00 173.24 171.16 1lya s GLN 89 N -3.84 0.73 0.03 12.44 0.74 -0.56 -4.88 119.66 124.32 1lya s GLN 89 Ca 0.25 -0.34 -0.28 0.00 0.05 0.00 0.00 55.36 55.04 1lya s GLN 89 Cb -0.00 -0.70 0.10 0.00 1.10 0.00 0.00 33.01 33.50 1lya s GLN 89 CO 0.11 0.19 1.22 0.34 -0.55 0.00 0.00 175.29 176.61 1lya s ASP 90 N -0.26 -0.03 0.32 6.67 -1.08 -1.26 -0.82 116.67 120.21 1lya s ASP 90 Ca 0.03 -0.27 -0.27 0.00 -0.52 0.00 0.00 52.55 51.52 1lya s ASP 90 Cb -0.04 0.23 -0.09 0.00 -1.46 0.00 0.00 42.92 41.56 1lya s ASP 90 CO -0.00 -0.45 0.99 -0.89 0.52 0.00 0.00 175.17 175.34 1lya s THR 91 N -2.26 3.95 -0.08 1.71 2.01 -1.26 -4.88 115.64 114.83 1lya s THR 91 Ca 0.22 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.94 1lya s THR 91 Cb 0.01 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1lya s THR 91 CO -0.01 0.19 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.23 1lya s VAL 92 N -1.50 2.52 0.07 3.82 1.01 -1.26 -1.75 120.40 123.31 1lya s VAL 92 Ca 0.50 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1lya s VAL 92 Cb -0.23 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1lya s VAL 92 CO 0.29 0.56 -0.14 -0.44 0.00 0.00 0.00 175.10 175.37 1lya s SER 93 N -0.13 4.11 -0.14 3.32 0.01 -0.37 -4.93 113.70 115.56 1lya s SER 93 Ca -0.03 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 1lya s SER 93 Cb -0.14 -0.73 0.07 0.00 0.21 0.00 0.00 66.02 65.43 1lya s SER 93 CO 0.04 0.22 0.21 -0.69 0.41 0.00 0.00 173.24 173.43 1lya s VAL 94 N -1.06 -0.32 0.00 3.43 1.01 -1.26 -1.55 120.40 120.65 1lya s VAL 94 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1lya s VAL 94 Cb -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1lya s VAL 94 CO 0.09 -0.01 0.00 -0.81 0.00 0.00 0.00 175.10 174.37 1lya n PRO 95 N 5.33 2.99 -1.88 2.72 -0.04 -1.26 -4.76 135.00 138.10 1lya n PRO 95 Ca -0.05 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 1lya n PRO 95 Cb 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 1lya n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46