#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 3.92 -0.36 1.61 0.02 -1.26 -5.14 135.00 133.79 1lya s PRO 2 Ca 0.00 0.46 -0.03 0.00 0.02 0.00 0.00 61.00 61.45 1lya s PRO 2 Cb 0.00 -2.68 0.08 0.00 0.02 0.00 0.00 34.50 31.93 1lya s PRO 2 CO 0.00 0.32 0.12 0.42 -0.33 0.00 0.00 177.00 177.53 1lya s ILE 3 N -1.76 3.24 0.14 2.83 -1.09 -1.26 -5.07 121.20 118.22 1lya s ILE 3 Ca 0.47 -1.73 -0.30 0.00 -2.23 0.00 0.00 60.65 56.85 1lya s ILE 3 Cb -0.12 -3.06 -0.07 0.00 -1.58 0.00 0.00 42.46 37.63 1lya s ILE 3 CO 0.20 -0.44 1.14 -2.16 -1.23 0.00 0.00 174.94 172.45 1lya s PRO 4 N 1.20 4.53 -0.12 2.79 0.04 -1.26 -5.04 135.00 137.14 1lya s PRO 4 Ca 0.03 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1lya s PRO 4 Cb -0.21 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.04 1lya s PRO 4 CO -0.02 -0.05 -0.16 -2.00 0.04 0.00 0.00 177.00 174.80 1lya s GLU 5 N 0.11 2.35 0.31 4.56 2.56 -1.26 -4.83 118.70 122.50 1lya s GLU 5 Ca 0.53 -0.60 -0.17 0.00 0.00 0.00 0.00 54.97 54.72 1lya s GLU 5 Cb -0.30 -2.01 -0.09 0.00 2.00 0.00 0.00 34.13 33.74 1lya s GLU 5 CO 0.33 -0.09 0.76 0.14 -0.56 0.00 0.00 175.26 175.84 1lya s VAL 6 N 1.05 4.61 0.19 3.70 -7.23 -1.26 -5.07 120.40 116.39 1lya s VAL 6 Ca -0.05 1.10 0.09 0.00 -1.81 0.00 0.00 61.98 61.32 1lya s VAL 6 Cb -0.15 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 1lya s VAL 6 CO -0.03 -0.09 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.80 1lya s LEU 7 N -2.73 2.93 0.27 1.32 1.43 -1.26 -4.43 118.68 116.21 1lya s LEU 7 Ca 0.52 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1lya s LEU 7 Cb -0.12 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1lya s LEU 7 CO 0.18 0.10 0.36 -0.54 0.23 0.00 0.00 176.35 176.68 1lya s LYS 8 N -2.85 3.23 -0.12 1.70 1.02 0.87 -4.88 119.74 118.71 1lya s LYS 8 Ca 0.25 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.35 1lya s LYS 8 Cb -0.09 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1lya s LYS 8 CO 0.15 0.32 -0.15 1.21 -0.92 0.00 0.00 175.35 175.95 1lya s ASN 9 N -4.01 2.57 -0.28 2.83 3.84 -1.26 -2.37 114.94 116.27 1lya s ASN 9 Ca 0.37 -0.46 0.01 0.00 0.21 0.00 0.00 52.86 52.99 1lya s ASN 9 Cb -0.09 -1.15 0.06 0.00 -0.55 0.00 0.00 41.25 39.52 1lya s ASN 9 CO 0.29 -0.00 -0.06 -0.47 -2.79 0.00 0.00 177.10 174.06 1lya s TYR 10 N 1.15 3.27 -0.46 0.43 5.04 0.11 -4.78 117.35 122.10 1lya s TYR 10 Ca -0.03 -2.15 0.00 0.00 -2.44 0.00 0.00 57.07 52.45 1lya s TYR 10 Cb -0.14 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.15 1lya s TYR 10 CO -0.05 -0.85 0.00 -1.33 -1.34 0.00 0.00 175.55 171.98 1lya n MET 11 N 4.51 -1.46 -1.73 4.97 2.81 -1.26 -0.79 117.12 124.17 1lya n MET 11 Ca -0.13 0.58 -0.19 0.00 -1.81 0.00 0.00 57.70 56.14 1lya n MET 11 Cb 0.43 -4.76 -0.07 0.00 -0.71 0.00 0.00 33.22 28.11 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 -0.75 -5.18 -0.02 7.83 8.00 -1.26 -4.80 116.55 120.37 1lya n ASP 12 Ca -0.04 0.39 -0.02 0.00 0.71 0.00 0.00 54.79 55.82 1lya n ASP 12 Cb 0.43 -4.55 -0.03 0.00 -0.02 0.00 0.00 41.12 36.96 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 0.55 1.91 -4.01 2.24 0.00 -0.33 -5.01 120.51 115.85 1lya n ALA 13 Ca -0.20 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 1lya n ALA 13 Cb 0.64 0.26 -0.16 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.09 2.24 -0.14 0.00 -0.21 0.03 -4.99 119.66 114.50 1lya s GLN 14 Ca -0.04 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 54.82 1lya s GLN 14 Cb 0.01 -2.09 0.01 0.00 1.00 0.00 0.00 33.01 31.95 1lya s GLN 14 CO 0.13 -0.25 -0.20 0.71 -2.12 0.00 0.00 175.29 173.56 1lya s TYR 15 N 1.50 2.56 0.03 0.91 1.51 -1.26 0.06 117.35 122.67 1lya s TYR 15 Ca 0.05 -1.33 -0.13 0.00 -1.01 0.00 0.00 57.07 54.65 1lya s TYR 15 Cb -0.13 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1lya s TYR 15 CO -0.11 -0.63 0.28 1.52 -1.11 0.00 0.00 175.55 175.51 1lya s TYR 16 N 0.94 -0.08 0.27 2.71 1.13 -1.00 -4.48 117.35 116.84 1lya s TYR 16 Ca -0.05 -0.03 0.02 0.00 -1.41 0.00 0.00 57.07 55.60 1lya s TYR 16 Cb -0.15 0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 1lya s TYR 16 CO -0.04 -0.47 0.13 0.20 -2.51 0.00 0.00 175.55 172.86 1lya s GLY 17 N -1.94 1.84 -0.19 5.49 0.00 -0.26 -0.09 107.32 112.17 1lya s GLY 17 Ca -0.07 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.74 1lya s GLY 17 CO -0.02 -1.57 0.21 1.85 0.00 0.00 0.00 173.10 173.57 1lya s GLU 18 N -3.96 4.20 0.30 2.90 2.12 -1.26 -0.78 118.70 122.23 1lya s GLU 18 Ca 0.37 -0.08 0.08 0.00 0.36 0.00 0.00 54.97 55.70 1lya s GLU 18 Cb 0.07 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 1lya s GLU 18 CO 0.15 0.23 -0.09 0.96 -0.54 0.00 0.00 175.26 175.98 1lya s ILE 19 N 0.52 1.98 0.00 -3.70 -4.36 -0.49 -3.10 121.20 112.05 1lya s ILE 19 Ca 0.12 -2.19 0.08 0.00 -0.26 0.00 0.00 60.65 58.40 1lya s ILE 19 Cb -0.12 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 1lya s ILE 19 CO 0.01 -0.28 -0.26 -0.83 0.24 0.00 0.00 174.94 173.83 1lya s GLY 20 N -3.52 1.32 -0.07 6.27 0.00 0.69 -1.15 107.32 110.86 1lya s GLY 20 Ca 0.31 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1lya s GLY 20 CO 0.14 -1.00 -0.19 -0.42 0.00 0.00 0.00 173.10 171.63 1lya s ILE 21 N -0.67 1.66 0.00 0.90 1.01 0.01 -0.58 121.20 123.52 1lya s ILE 21 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1lya s ILE 21 Cb -0.10 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1lya s ILE 21 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1lya n GLY 22 N 3.38 1.85 2.83 6.18 0.00 -0.43 -0.41 105.19 118.59 1lya n GLY 22 Ca -0.19 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.22 0.84 0.63 2.61 2.01 -1.26 -1.53 115.64 116.72 1lya s THR 23 Ca 0.00 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 1lya s THR 23 Cb 0.00 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 1lya s THR 23 CO 0.00 0.08 1.24 -2.16 -0.69 0.00 0.00 174.62 173.09 1lya s PRO 24 N 1.75 2.71 0.23 4.92 0.04 -1.26 -0.55 135.00 142.83 1lya s PRO 24 Ca 0.01 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 1lya s PRO 24 Cb -0.15 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1lya s PRO 24 CO -0.07 -1.43 1.50 -1.25 0.04 0.00 0.00 177.00 175.79 1lya s PRO 25 N -3.43 4.23 -0.19 0.56 0.04 -0.58 -4.86 135.00 130.77 1lya s PRO 25 Ca 0.79 2.36 -0.09 0.00 0.04 0.00 0.00 61.00 64.09 1lya s PRO 25 Cb -0.33 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1lya s PRO 25 CO 0.37 -0.51 0.12 -0.65 0.04 0.00 0.00 177.00 176.37 1lya s GLN 26 N 0.10 4.11 -0.18 4.56 -0.21 0.45 -4.85 119.66 123.63 1lya s GLN 26 Ca 0.63 -0.23 -0.16 0.00 0.02 0.00 0.00 55.36 55.62 1lya s GLN 26 Cb -0.43 -3.37 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1lya s GLN 26 CO 0.40 0.33 0.41 0.00 -2.12 0.00 0.00 175.29 174.31 1lya s PHE 28 N 1.13 2.25 -0.08 0.00 0.08 -0.30 -4.97 117.98 116.09 1lya s PHE 28 Ca 0.20 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 1lya s PHE 28 Cb -0.15 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 1lya s PHE 28 CO 0.08 0.63 -0.00 0.95 -0.10 0.00 0.00 175.22 176.78 1lya s THR 29 N -2.30 4.26 0.05 0.64 -4.23 -1.26 -1.40 115.64 111.41 1lya s THR 29 Ca 0.27 -0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1lya s THR 29 Cb -0.06 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1lya s THR 29 CO 0.13 0.58 0.01 0.68 -0.54 0.00 0.00 174.62 175.48 1lya s VAL 30 N -0.90 0.19 -0.17 2.29 -7.23 0.04 -4.93 120.40 109.69 1lya s VAL 30 Ca 0.14 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 1lya s VAL 30 Cb -0.11 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 1lya s VAL 30 CO 0.03 -0.89 0.23 0.54 -0.31 0.00 0.00 175.10 174.70 1lya s VAL 31 N -3.61 5.35 -0.53 1.32 0.11 -1.26 -1.10 120.40 120.68 1lya s VAL 31 Ca 0.04 0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 59.26 1lya s VAL 31 Cb 0.05 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1lya s VAL 31 CO -0.09 0.42 0.89 -0.36 -3.33 0.00 0.00 175.10 172.63 1lya s PHE 32 N 0.36 2.85 -0.38 1.54 0.40 -1.26 -4.98 117.98 116.50 1lya s PHE 32 Ca 0.13 -0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.33 1lya s PHE 32 Cb -0.12 -3.97 0.05 0.00 0.51 0.00 0.00 43.02 39.49 1lya s PHE 32 CO 0.02 -1.27 0.20 0.34 0.70 0.00 0.00 175.22 175.21 1lya s ASP 33 N 2.73 5.60 0.00 1.36 2.15 -1.26 -4.95 116.67 122.31 1lya s ASP 33 Ca 0.29 -1.20 0.18 0.00 0.43 0.00 0.00 52.55 52.25 1lya s ASP 33 Cb -0.13 -1.97 1.03 0.00 -0.30 0.00 0.00 42.92 41.54 1lya s ASP 33 CO 0.19 -0.42 1.53 0.35 -0.17 0.00 0.00 175.17 176.65 1lya n THR 34 N 4.92 0.20 1.18 1.71 -2.24 -1.26 -2.63 114.28 116.17 1lya n THR 34 Ca -0.11 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1lya n THR 34 Cb 0.45 -0.76 0.37 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.20 -0.86 2.06 3.38 0.00 -1.26 -4.96 105.19 103.75 1lya n GLY 35 Ca 0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1lya n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lya n SER 36 N -0.96 -0.70 -0.04 1.61 3.41 -1.08 -5.11 113.62 110.75 1lya n SER 36 Ca 0.10 -2.25 0.01 0.00 -0.26 0.00 0.00 58.87 56.47 1lya n SER 36 Cb 0.34 1.38 0.01 0.00 -0.26 0.00 0.00 64.21 65.68 1lya n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lya n SER 37 N -1.96 0.85 -4.47 4.04 7.64 -1.26 -4.92 113.62 113.54 1lya n SER 37 Ca 0.02 -1.56 -0.29 0.00 1.01 0.00 0.00 58.87 58.06 1lya n SER 37 Cb 0.37 -0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.60 3.75 -0.12 6.43 -0.87 -1.26 -5.12 114.94 117.15 1lya s ASN 38 Ca 0.02 -0.64 -0.06 0.00 -1.57 0.00 0.00 52.86 50.61 1lya s ASN 38 Cb 0.02 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.25 40.75 1lya s ASN 38 CO 0.00 0.16 0.09 -0.22 -2.57 0.00 0.00 177.10 174.57 1lya s LEU 39 N -2.26 4.08 0.03 0.60 2.96 -1.26 -5.07 118.68 117.76 1lya s LEU 39 Ca 0.18 0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 54.26 1lya s LEU 39 Cb -0.10 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.63 1lya s LEU 39 CO 0.10 0.36 0.34 -1.66 -1.32 0.00 0.00 176.35 174.17 1lya s TRP 40 N -0.75 -0.16 0.09 5.38 1.48 -1.26 -5.11 118.94 118.60 1lya s TRP 40 Ca 0.13 0.09 -0.02 0.00 -1.06 0.00 0.00 56.10 55.24 1lya s TRP 40 Cb -0.12 0.13 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 1lya s TRP 40 CO 0.03 -0.51 0.03 0.14 -4.06 0.00 0.00 176.95 172.58 1lya s VAL 41 N -2.34 0.16 0.45 -0.66 -7.23 -1.26 -5.09 120.40 104.43 1lya s VAL 41 Ca -0.06 -1.81 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 1lya s VAL 41 Cb -0.01 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 35.10 1lya s VAL 41 CO -0.02 -0.73 1.27 -2.84 -0.31 0.00 0.00 175.10 172.47 1lya s PRO 42 N -3.97 3.74 0.19 4.82 0.02 -1.26 -4.89 135.00 133.65 1lya s PRO 42 Ca 0.15 2.06 -0.07 0.00 0.02 0.00 0.00 61.00 63.15 1lya s PRO 42 Cb 0.07 -2.56 -0.06 0.00 0.02 0.00 0.00 34.50 31.97 1lya s PRO 42 CO -0.05 -0.65 0.47 0.45 -0.33 0.00 0.00 177.00 176.89 1lya s SER 43 N -0.96 6.56 0.00 2.53 0.15 -1.26 -0.57 113.70 120.15 1lya s SER 43 Ca 0.62 0.76 0.08 0.00 0.70 0.00 0.00 55.95 58.11 1lya s SER 43 Cb -0.36 -2.16 0.38 0.00 -1.71 0.00 0.00 66.02 62.17 1lya s SER 43 CO 0.45 -0.01 1.11 2.30 1.20 0.00 0.00 173.24 178.29 1lya n ILE 44 N -0.00 0.89 -1.31 6.45 -5.35 -1.02 -2.27 119.36 116.76 1lya n ILE 44 Ca -0.01 0.22 -0.22 0.00 -0.27 0.00 0.00 62.75 62.47 1lya n ILE 44 Cb 0.52 -1.10 0.17 0.00 -1.74 0.00 0.00 39.64 37.49 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 -1.30 2.73 -2.38 4.28 8.25 -1.26 -4.99 115.22 120.55 1lya n HIS 45 Ca 0.03 -1.99 -0.34 0.00 -0.26 0.00 0.00 57.72 55.17 1lya n HIS 45 Cb 0.06 -0.92 -0.02 0.00 1.12 0.00 0.00 29.99 30.23 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 -3.37 3.16 0.62 0.00 -0.14 -1.26 -4.92 119.74 113.83 1lya s LYS 47 Ca 0.69 1.32 0.36 0.00 -1.36 0.00 0.00 55.97 56.98 1lya s LYS 47 Cb -0.19 -2.00 2.04 0.00 -1.68 0.00 0.00 37.83 36.00 1lya s LYS 47 CO 0.25 -0.95 2.28 1.25 -0.76 0.00 0.00 175.35 177.41 1lya h LEU 48 N 0.42 0.00 -2.40 3.17 5.85 -2.02 -1.36 115.31 118.98 1lya h LEU 48 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1lya h LEU 48 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1lya h LEU 48 CO 0.56 0.01 0.01 -0.07 -0.34 0.00 0.00 178.44 178.62 1lya h LEU 49 N 0.00 0.00 -8.01 2.25 3.38 -2.03 -3.36 115.31 107.53 1lya h LEU 49 Ca -0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1lya h LEU 49 Cb 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.68 1lya h LEU 49 CO 0.00 0.00 1.38 -0.62 0.09 0.00 0.00 178.44 179.29 1lya s ASP 50 N -6.26 6.62 0.40 -0.43 -1.08 -0.51 -4.79 116.67 110.62 1lya s ASP 50 Ca -0.05 -1.87 0.09 0.00 -0.52 0.00 0.00 52.55 50.20 1lya s ASP 50 Cb 0.15 -2.51 0.87 0.00 -1.46 0.00 0.00 42.92 39.97 1lya s ASP 50 CO 0.56 -1.28 2.00 0.40 0.52 0.00 0.00 175.17 177.38 1lya h ILE 51 N 6.20 1.01 -0.83 4.11 2.04 -1.86 -1.13 117.51 127.06 1lya h ILE 51 Ca 0.23 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1lya h ILE 51 Cb 0.99 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1lya h ILE 51 CO 1.32 0.11 0.55 0.00 0.00 0.00 0.00 178.15 180.12 1lya h ALA 52 N 1.68 1.48 -0.77 1.87 0.00 -1.94 -1.94 119.26 119.64 1lya h ALA 52 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lya h ALA 52 Cb 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1lya h ALA 52 CO -0.07 0.44 0.48 0.00 0.00 0.00 0.00 179.25 180.09 1lya h TRP 54 N 1.05 0.24 -0.39 0.00 6.55 -1.38 -2.42 115.95 119.61 1lya h TRP 54 Ca 0.28 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.12 1lya h TRP 54 Cb -0.07 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 1lya h TRP 54 CO 0.00 0.14 0.00 0.44 -1.05 0.00 0.00 178.44 177.97 1lya n ILE 55 N -4.48 1.48 -4.51 1.49 -5.35 -0.87 -5.01 119.36 102.10 1lya n ILE 55 Ca 0.04 -1.27 -0.24 0.00 -0.27 0.00 0.00 62.75 61.01 1lya n ILE 55 Cb 0.23 0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 38.31 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 0.39 0.54 -3.28 4.28 8.25 -0.91 -5.12 115.22 119.37 1lya n HIS 56 Ca 0.17 -2.08 -0.34 0.00 -0.26 0.00 0.00 57.72 55.22 1lya n HIS 56 Cb 0.63 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.63 3.50 0.08 4.41 3.76 -1.26 -4.97 115.29 118.18 1lya s HIS 57 Ca 0.08 1.09 0.10 0.00 -0.15 0.00 0.00 55.06 56.18 1lya s HIS 57 Cb 0.00 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 1lya s HIS 57 CO 0.06 0.29 -0.25 0.15 -0.85 0.00 0.00 174.74 174.13 1lya s LYS 58 N -2.46 1.56 -0.22 1.40 1.02 -1.26 -4.05 119.74 115.72 1lya s LYS 58 Ca 0.45 -1.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 1lya s LYS 58 Cb -0.13 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1lya s LYS 58 CO 0.20 0.46 0.39 -0.47 -0.92 0.00 0.00 175.35 175.00 1lya s TYR 59 N -0.92 3.34 -0.41 3.18 5.04 0.26 -4.68 117.35 123.16 1lya s TYR 59 Ca 0.12 0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 55.17 1lya s TYR 59 Cb -0.10 -2.53 0.04 0.00 0.35 0.00 0.00 41.96 39.72 1lya s TYR 59 CO 0.04 -0.07 0.28 1.21 -1.34 0.00 0.00 175.55 175.67 1lya s ASN 60 N 1.19 5.93 0.26 4.32 3.84 -1.26 -2.43 114.94 126.79 1lya s ASN 60 Ca 0.18 -1.11 -0.02 0.00 0.21 0.00 0.00 52.86 52.12 1lya s ASN 60 Cb -0.15 -2.09 0.45 0.00 -0.55 0.00 0.00 41.25 38.91 1lya s ASN 60 CO 0.08 -0.48 1.84 0.28 -2.79 0.00 0.00 177.10 176.03 1lya h SER 61 N 8.56 0.89 -0.00 -4.21 0.02 -1.97 -2.89 113.55 113.95 1lya h SER 61 Ca -0.26 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1lya h SER 61 Cb 1.11 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1lya h SER 61 CO 0.74 0.52 0.09 0.44 -1.14 0.00 0.00 176.83 177.48 1lya h ASP 62 N 0.99 0.00 -0.91 3.07 3.32 -2.01 -2.24 116.42 118.65 1lya h ASP 62 Ca 0.44 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.91 1lya h ASP 62 Cb 0.34 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.59 1lya h ASP 62 CO -0.23 0.00 0.51 0.29 -1.72 0.00 0.00 179.24 178.10 1lya n LYS 63 N -3.03 2.64 -3.65 3.56 5.02 -1.09 -4.91 118.16 116.69 1lya n LYS 63 Ca -0.03 -3.34 -0.15 0.00 -2.02 0.00 0.00 58.31 52.78 1lya n LYS 63 Cb 0.15 -2.22 -0.14 0.00 -0.02 0.00 0.00 35.03 32.80 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 -2.02 0.53 0.23 4.39 0.15 -0.84 -4.11 113.70 112.02 1lya s SER 64 Ca 0.59 0.47 -0.07 0.00 0.70 0.00 0.00 55.95 57.64 1lya s SER 64 Cb 0.48 0.56 0.31 0.00 -1.71 0.00 0.00 66.02 65.66 1lya s SER 64 CO 0.02 -0.25 1.82 0.28 1.20 0.00 0.00 173.24 176.31 1lya h SER 65 N 8.31 0.65 -0.15 5.45 0.02 -1.14 -3.10 113.55 123.59 1lya h SER 65 Ca -0.14 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1lya h SER 65 Cb 1.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1lya h SER 65 CO 0.15 0.41 0.00 0.35 -1.14 0.00 0.00 176.83 176.59 1lya n THR 66 N -4.74 0.19 -2.07 -2.27 -2.24 -1.26 -4.91 114.28 96.98 1lya n THR 66 Ca 0.11 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1lya n THR 66 Cb 0.21 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.81 3.01 -0.11 4.78 5.04 -1.17 -4.48 117.35 122.61 1lya s TYR 67 Ca 0.29 0.74 0.02 0.00 -2.44 0.00 0.00 57.07 55.68 1lya s TYR 67 Cb 0.15 -3.79 0.01 0.00 0.35 0.00 0.00 41.96 38.68 1lya s TYR 67 CO 0.23 -2.93 -0.16 0.08 -1.34 0.00 0.00 175.55 171.43 1lya s VAL 68 N 1.53 1.59 0.41 3.14 1.01 -0.14 -5.01 120.40 122.93 1lya s VAL 68 Ca 0.68 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1lya s VAL 68 Cb -0.39 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 1lya s VAL 68 CO 0.30 0.46 1.15 -0.75 0.00 0.00 0.00 175.10 176.27 1lya s LYS 69 N 0.92 4.03 0.00 2.72 2.20 -1.26 -1.06 119.74 127.29 1lya s LYS 69 Ca -0.07 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1lya s LYS 69 Cb -0.15 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1lya s LYS 69 CO -0.01 -0.32 0.00 -1.71 -0.36 0.00 0.00 175.35 172.95 1lya n ASN 70 N -0.01 0.00 0.00 1.43 2.85 -1.25 -4.82 115.26 113.46 1lya n ASN 70 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1lya n ASN 70 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 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 2.95 1.24 3.70 8.20 0.00 -0.72 -5.01 105.19 115.55 1lya n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.07 0.16 -2.17 2.61 -1.04 -1.26 -4.44 114.28 108.07 1lya n THR 72 Ca 0.00 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.62 1lya n THR 72 Cb 0.00 -2.02 0.01 0.00 -1.82 0.00 0.00 70.33 66.50 1lya n THR 72 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1lya s SER 73 N 1.85 5.60 0.18 8.00 0.01 -1.26 0.06 113.70 128.15 1lya s SER 73 Ca 0.78 2.27 0.01 0.00 1.31 0.00 0.00 55.95 60.32 1lya s SER 73 Cb -0.51 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.09 1lya s SER 73 CO 0.35 -1.31 0.05 0.72 0.41 0.00 0.00 173.24 173.46 1lya s PHE 74 N -1.68 1.16 -0.08 2.43 -0.71 -0.61 -4.87 117.98 113.62 1lya s PHE 74 Ca 0.73 -1.14 -0.04 0.00 -1.04 0.00 0.00 56.93 55.44 1lya s PHE 74 Cb -0.27 -0.66 0.04 0.00 -1.21 0.00 0.00 43.02 40.93 1lya s PHE 74 CO 0.30 -0.36 0.19 -0.51 -1.34 0.00 0.00 175.22 173.50 1lya s ASP 75 N -3.16 -0.14 -0.10 1.98 1.11 -1.26 -2.70 116.67 112.40 1lya s ASP 75 Ca 0.28 0.40 0.02 0.00 0.18 0.00 0.00 52.55 53.43 1lya s ASP 75 Cb 0.07 0.29 0.01 0.00 1.07 0.00 0.00 42.92 44.36 1lya s ASP 75 CO 0.06 -0.16 -0.15 -0.63 1.18 0.00 0.00 175.17 175.47 1lya s ILE 76 N 1.28 1.44 -0.15 0.77 1.01 -0.35 -5.00 121.20 120.20 1lya s ILE 76 Ca -0.09 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1lya s ILE 76 Cb -0.11 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1lya s ILE 76 CO -0.07 0.43 0.00 -1.00 0.00 0.00 0.00 174.94 174.30 1lya s HIS 77 N 0.90 3.13 0.54 3.97 3.76 -1.26 -1.31 115.29 125.01 1lya s HIS 77 Ca -0.09 -0.09 0.08 0.00 -0.15 0.00 0.00 55.06 54.82 1lya s HIS 77 Cb -0.15 -1.97 0.06 0.00 1.11 0.00 0.00 32.58 31.63 1lya s HIS 77 CO 0.00 0.12 0.64 0.71 -0.85 0.00 0.00 174.74 175.36 1lya s TYR 78 N 0.15 1.68 -0.55 1.40 2.02 0.39 -4.98 117.35 117.46 1lya s TYR 78 Ca 0.01 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.94 1lya s TYR 78 Cb -0.13 -2.14 -0.07 0.00 -0.40 0.00 0.00 41.96 39.21 1lya s TYR 78 CO 0.02 -0.84 3.07 0.41 -1.57 0.00 0.00 175.55 176.64 1lya n GLY 79 N -2.03 3.95 0.00 0.71 0.00 -1.26 -4.19 105.19 102.36 1lya n GLY 79 Ca 0.10 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.93 0.00 -4.82 1.61 3.41 -1.26 -5.16 113.62 109.33 1lya n SER 80 Ca 0.52 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.91 1lya n SER 80 Cb 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.40 5.00 0.00 -1.26 -5.13 107.32 107.78 1lya s GLY 81 Ca 0.00 -1.39 0.07 0.00 0.00 0.00 0.00 44.72 43.41 1lya s GLY 81 CO 0.00 -1.42 0.06 -0.56 0.00 0.00 0.00 173.10 171.17 1lya s SER 82 N -3.74 4.06 0.17 1.64 0.01 -1.26 -0.47 113.70 114.12 1lya s SER 82 Ca 0.33 -1.24 -0.24 0.00 1.31 0.00 0.00 55.95 56.10 1lya s SER 82 Cb -0.08 -0.43 0.06 0.00 0.21 0.00 0.00 66.02 65.78 1lya s SER 82 CO 0.25 -0.45 0.93 -1.48 0.41 0.00 0.00 173.24 172.90 1lya s LEU 83 N -3.77 -0.17 0.11 2.44 -0.00 -0.43 -4.96 118.68 111.90 1lya s LEU 83 Ca 0.37 -0.45 -0.25 0.00 -0.00 0.00 0.00 54.13 53.79 1lya s LEU 83 Cb 0.07 2.24 0.08 0.00 -0.00 0.00 0.00 46.19 48.57 1lya s LEU 83 CO 0.19 -0.97 0.80 -0.94 -0.00 0.00 0.00 176.35 175.43 1lya s SER 84 N -2.96 -0.37 0.00 1.48 1.04 -1.26 -1.21 113.70 110.42 1lya s SER 84 Ca 0.13 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1lya s SER 84 Cb -0.02 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1lya s SER 84 CO 0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1lya n GLY 85 N -0.35 -0.85 3.14 7.32 0.00 -1.10 -5.00 105.19 108.34 1lya n GLY 85 Ca -0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.82 0.32 1.61 1.13 -1.26 -1.57 117.35 114.41 1lya s TYR 86 Ca 0.00 -0.79 -0.14 0.00 -1.41 0.00 0.00 57.07 54.74 1lya s TYR 86 Cb 0.00 -0.48 -0.08 0.00 -1.10 0.00 0.00 41.96 40.29 1lya s TYR 86 CO 0.00 -0.13 0.72 -0.51 -2.51 0.00 0.00 175.55 173.12 1lya s LEU 87 N -2.59 4.05 0.17 -3.49 1.43 0.11 -4.91 118.68 113.45 1lya s LEU 87 Ca 0.05 1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 54.30 1lya s LEU 87 Cb 0.01 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 1lya s LEU 87 CO -0.03 -0.21 0.24 -0.44 0.23 0.00 0.00 176.35 176.14 1lya s SER 88 N -2.39 0.09 0.02 2.29 0.01 -1.26 -1.76 113.70 110.71 1lya s SER 88 Ca 0.53 -1.00 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1lya s SER 88 Cb -0.10 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 1lya s SER 88 CO 0.19 -0.88 -0.18 -1.58 0.41 0.00 0.00 173.24 171.21 1lya s GLN 89 N -4.01 1.25 0.03 12.44 0.74 -0.23 -4.92 119.66 124.97 1lya s GLN 89 Ca 0.21 -0.78 -0.27 0.00 0.05 0.00 0.00 55.36 54.57 1lya s GLN 89 Cb 0.04 -1.29 0.10 0.00 1.10 0.00 0.00 33.01 32.96 1lya s GLN 89 CO 0.03 0.33 1.23 0.34 -0.55 0.00 0.00 175.29 176.67 1lya s ASP 90 N -0.92 -0.01 0.01 6.67 -1.08 -1.26 -0.96 116.67 119.11 1lya s ASP 90 Ca 0.05 -0.30 -0.25 0.00 -0.52 0.00 0.00 52.55 51.54 1lya s ASP 90 Cb -0.08 0.23 -0.05 0.00 -1.46 0.00 0.00 42.92 41.56 1lya s ASP 90 CO 0.01 -0.45 0.76 -0.89 0.52 0.00 0.00 175.17 175.12 1lya s THR 91 N -2.14 4.84 -0.19 1.71 2.01 -1.26 -4.94 115.64 115.66 1lya s THR 91 Ca 0.25 1.60 -0.08 0.00 0.31 0.00 0.00 61.69 63.77 1lya s THR 91 Cb -0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1lya s THR 91 CO 0.00 0.32 0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 1lya s VAL 92 N 0.28 4.94 -0.16 3.82 1.01 -1.26 -1.32 120.40 127.71 1lya s VAL 92 Ca 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 1lya s VAL 92 Cb -0.20 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1lya s VAL 92 CO 0.22 0.44 -0.10 -0.44 0.00 0.00 0.00 175.10 175.22 1lya s SER 93 N 0.49 4.13 -0.13 3.32 0.01 0.25 -4.94 113.70 116.82 1lya s SER 93 Ca 0.05 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 56.99 1lya s SER 93 Cb -0.12 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.46 1lya s SER 93 CO 0.00 0.10 -0.22 -0.69 0.41 0.00 0.00 173.24 172.85 1lya s VAL 94 N 0.74 2.01 0.95 3.43 1.01 -1.26 -0.22 120.40 127.06 1lya s VAL 94 Ca -0.04 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1lya s VAL 94 Cb -0.15 -1.78 0.24 0.00 0.00 0.00 0.00 36.38 34.69 1lya s VAL 94 CO 0.02 0.54 0.78 -0.81 0.00 0.00 0.00 175.10 175.62 1lya n PRO 95 N 4.03 -2.94 -2.01 2.72 -0.04 -1.26 -5.01 135.00 130.49 1lya n PRO 95 Ca -0.20 -1.25 -0.42 0.00 -0.04 0.00 0.00 63.50 61.58 1lya n PRO 95 Cb 0.52 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 1lya n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46