#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lyb s PRO 2 N 0.00 4.16 -0.36 1.61 0.04 -1.26 -5.10 135.00 134.09 1lyb s PRO 2 Ca 0.00 2.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 1lyb s PRO 2 Cb 0.00 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1lyb s PRO 2 CO 0.00 -0.53 0.21 0.42 0.04 0.00 0.00 177.00 177.14 1lyb s ILE 3 N -0.44 4.73 0.03 0.56 -1.09 -1.26 -5.09 121.20 118.65 1lyb s ILE 3 Ca 0.58 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 1lyb s ILE 3 Cb -0.46 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1lyb s ILE 3 CO 0.52 -0.16 1.04 -2.16 -1.23 0.00 0.00 174.94 172.95 1lyb s PRO 4 N 1.60 4.54 -0.21 2.79 0.04 -1.26 -5.04 135.00 137.46 1lyb s PRO 4 Ca 0.03 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.61 1lyb s PRO 4 Cb -0.18 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 30.98 1lyb s PRO 4 CO 0.07 -0.07 -0.12 -2.00 0.04 0.00 0.00 177.00 174.92 1lyb s GLU 5 N 0.87 2.21 -0.07 4.56 2.56 -1.26 -4.78 118.70 122.80 1lyb s GLU 5 Ca 0.53 -0.96 -0.28 0.00 0.00 0.00 0.00 54.97 54.26 1lyb s GLU 5 Cb -0.24 -2.55 -0.02 0.00 2.00 0.00 0.00 34.13 33.32 1lyb s GLU 5 CO 0.29 -0.43 0.94 0.08 -0.56 0.00 0.00 175.26 175.58 1lyb s VAL 6 N 1.31 4.86 0.01 3.70 1.01 -1.26 -5.05 120.40 124.98 1lyb s VAL 6 Ca -0.02 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 1lyb s VAL 6 Cb -0.17 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1lyb s VAL 6 CO -0.08 0.09 0.16 -0.76 0.00 0.00 0.00 175.10 174.51 1lyb s LEU 7 N 1.52 4.24 -0.12 3.92 1.43 -1.26 -4.56 118.68 123.85 1lyb s LEU 7 Ca 0.47 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 1lyb s LEU 7 Cb -0.19 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1lyb s LEU 7 CO 0.21 0.25 0.39 -0.54 0.23 0.00 0.00 176.35 176.89 1lyb s LYS 8 N -2.01 4.24 -0.13 1.70 1.02 0.66 -4.91 119.74 120.31 1lyb s LYS 8 Ca 0.28 0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.44 1lyb s LYS 8 Cb -0.13 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1lyb s LYS 8 CO 0.19 0.27 0.27 1.21 -0.92 0.00 0.00 175.35 176.37 1lyb s ASN 9 N 0.30 6.46 -0.21 2.83 3.84 -1.26 -2.09 114.94 124.81 1lyb s ASN 9 Ca 0.22 0.54 0.01 0.00 0.21 0.00 0.00 52.86 53.84 1lyb s ASN 9 Cb -0.14 -2.16 0.05 0.00 -0.55 0.00 0.00 41.25 38.44 1lyb s ASN 9 CO 0.08 0.20 -0.10 -0.47 -2.79 0.00 0.00 177.10 174.02 1lyb s TYR 10 N -0.05 2.55 -0.95 0.43 5.04 0.07 -4.82 117.35 119.62 1lyb s TYR 10 Ca 0.16 -1.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 1lyb s TYR 10 Cb -0.13 -1.69 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1lyb s TYR 10 CO 0.05 -0.77 0.00 -1.33 -1.34 0.00 0.00 175.55 172.16 1lyb n MET 11 N 4.64 -2.14 -0.55 4.97 2.81 -1.26 -0.84 117.12 124.75 1lyb n MET 11 Ca -0.15 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1lyb n MET 11 Cb 0.46 -5.06 0.00 0.00 -0.71 0.00 0.00 33.22 27.91 1lyb n MET 11 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1lyb n ASP 12 N -1.50 -1.17 -0.02 7.83 8.00 -1.26 -4.71 116.55 123.72 1lyb n ASP 12 Ca -0.12 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.42 1lyb n ASP 12 Cb 0.55 -2.45 -0.15 0.00 -0.02 0.00 0.00 41.12 39.06 1lyb n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lyb n ALA 13 N 0.98 2.36 -3.78 2.24 0.00 -0.02 -4.92 120.51 117.37 1lyb n ALA 13 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 53.44 52.47 1lyb n ALA 13 Cb 0.10 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 1lyb n ALA 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1lyb s GLN 14 N -3.18 0.82 -0.20 0.00 -0.21 -0.26 -4.98 119.66 111.64 1lyb s GLN 14 Ca -0.07 -0.25 -0.01 0.00 0.02 0.00 0.00 55.36 55.04 1lyb s GLN 14 Cb 0.11 -1.69 0.01 0.00 1.00 0.00 0.00 33.01 32.45 1lyb s GLN 14 CO 0.87 -0.47 -0.12 0.71 -2.12 0.00 0.00 175.29 174.15 1lyb s TYR 15 N 1.85 2.89 0.14 0.91 1.51 -1.26 -0.75 117.35 122.63 1lyb s TYR 15 Ca 0.02 -1.39 -0.01 0.00 -1.01 0.00 0.00 57.07 54.67 1lyb s TYR 15 Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1lyb s TYR 15 CO -0.07 -0.71 0.07 1.52 -1.11 0.00 0.00 175.55 175.26 1lyb s TYR 16 N 1.36 0.90 0.29 2.71 1.13 -0.89 -4.48 117.35 118.36 1lyb s TYR 16 Ca 0.04 -1.25 0.01 0.00 -1.41 0.00 0.00 57.07 54.47 1lyb s TYR 16 Cb -0.14 -0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 40.23 1lyb s TYR 16 CO -0.08 -0.54 0.35 0.41 -2.51 0.00 0.00 175.55 173.17 1lyb n GLY 17 N -0.12 2.55 3.47 5.49 0.00 -0.46 -0.25 105.19 115.88 1lyb n GLY 17 Ca -0.04 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1lyb n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lyb s GLU 18 N -2.81 3.50 0.33 1.61 2.12 -1.26 -1.06 118.70 121.13 1lyb s GLU 18 Ca 0.27 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1lyb s GLU 18 Cb -0.00 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.54 1lyb s GLU 18 CO 0.19 0.28 0.09 0.96 -0.54 0.00 0.00 175.26 176.25 1lyb s ILE 19 N 0.23 0.83 0.01 -3.70 -4.36 -0.08 -3.52 121.20 110.62 1lyb s ILE 19 Ca -0.04 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 1lyb s ILE 19 Cb -0.14 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 1lyb s ILE 19 CO 0.04 0.00 -0.10 -0.83 0.24 0.00 0.00 174.94 174.28 1lyb s GLY 20 N -3.48 0.54 -0.10 6.27 0.00 -0.66 -0.74 107.32 109.14 1lyb s GLY 20 Ca 0.33 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.52 1lyb s GLY 20 CO 0.15 -0.51 -0.17 -0.42 0.00 0.00 0.00 173.10 172.15 1lyb s ILE 21 N -0.54 1.57 0.00 0.90 1.01 -0.60 -1.18 121.20 122.37 1lyb s ILE 21 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1lyb s ILE 21 Cb -0.05 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1lyb s ILE 21 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1lyb n GLY 22 N 3.95 2.70 3.07 6.18 0.00 -0.89 -1.40 105.19 118.81 1lyb n GLY 22 Ca -0.20 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 1lyb n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lyb s THR 23 N -2.89 1.96 0.69 2.61 2.01 -1.26 -1.53 115.64 117.22 1lyb s THR 23 Ca 0.00 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 1lyb s THR 23 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1lyb s THR 23 CO 0.00 0.32 1.06 -2.16 -0.69 0.00 0.00 174.62 173.15 1lyb s PRO 24 N 1.28 2.98 0.21 4.92 0.04 -1.26 -0.84 135.00 142.33 1lyb s PRO 24 Ca 0.00 0.93 -0.32 0.00 0.04 0.00 0.00 61.00 61.65 1lyb s PRO 24 Cb -0.15 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 1lyb s PRO 24 CO -0.10 -1.06 1.26 -2.30 0.04 0.00 0.00 177.00 174.83 1lyb n PRO 25 N -3.10 1.55 -3.97 0.56 -0.02 -0.58 -4.91 135.00 124.52 1lyb n PRO 25 Ca 0.07 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 1lyb n PRO 25 Cb 0.54 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 1lyb n PRO 25 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1lyb s GLN 26 N -0.49 3.76 -0.05 -0.52 -0.21 -0.49 -4.91 119.66 116.75 1lyb s GLN 26 Ca 0.70 -0.44 -0.17 0.00 0.02 0.00 0.00 55.36 55.46 1lyb s GLN 26 Cb -0.75 -3.21 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 1lyb s GLN 26 CO 0.52 0.05 0.48 0.00 -2.12 0.00 0.00 175.29 174.21 1lyb s PHE 28 N -0.17 1.48 -0.06 0.00 0.08 0.08 -4.97 117.98 114.42 1lyb s PHE 28 Ca 0.26 -0.63 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 1lyb s PHE 28 Cb -0.16 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.52 1lyb s PHE 28 CO 0.13 0.21 0.06 0.95 -0.10 0.00 0.00 175.22 176.47 1lyb s THR 29 N -2.87 4.71 0.06 0.64 -4.23 -1.26 -0.90 115.64 111.80 1lyb s THR 29 Ca 0.17 -0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1lyb s THR 29 Cb -0.01 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 1lyb s THR 29 CO 0.04 0.50 0.07 0.68 -0.54 0.00 0.00 174.62 175.37 1lyb s VAL 30 N -1.04 0.18 -0.08 2.29 -7.23 -0.23 -4.93 120.40 109.36 1lyb s VAL 30 Ca 0.18 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 58.79 1lyb s VAL 30 Cb -0.12 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 1lyb s VAL 30 CO 0.07 -0.80 0.25 0.68 -0.31 0.00 0.00 175.10 174.99 1lyb s VAL 31 N -3.66 5.31 -0.98 1.32 -7.23 -1.26 -1.36 120.40 112.54 1lyb s VAL 31 Ca 0.04 0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 60.48 1lyb s VAL 31 Cb 0.05 -3.53 0.11 0.00 0.56 0.00 0.00 36.38 33.57 1lyb s VAL 31 CO -0.09 0.59 1.26 -0.36 -0.31 0.00 0.00 175.10 176.19 1lyb s PHE 32 N -0.98 2.94 -0.42 2.82 0.08 -1.26 -4.97 117.98 116.19 1lyb s PHE 32 Ca 0.18 -1.26 -0.17 0.00 0.12 0.00 0.00 56.93 55.80 1lyb s PHE 32 Cb -0.14 -4.43 0.02 0.00 -0.57 0.00 0.00 43.02 37.90 1lyb s PHE 32 CO 0.08 -1.64 0.45 0.34 -0.10 0.00 0.00 175.22 174.35 1lyb s ASP 33 N 4.04 6.21 -0.00 1.36 2.15 -1.26 -4.95 116.67 124.21 1lyb s ASP 33 Ca 0.38 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1lyb s ASP 33 Cb -0.03 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 1lyb s ASP 33 CO -0.09 -0.58 0.84 0.35 -0.17 0.00 0.00 175.17 175.52 1lyb n THR 34 N 5.46 0.02 -0.06 1.71 -2.24 -1.26 -3.48 114.28 114.43 1lyb n THR 34 Ca -0.07 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1lyb n THR 34 Cb 0.48 -0.16 0.20 0.00 -2.10 0.00 0.00 70.33 68.74 1lyb n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lyb n GLY 35 N 0.35 2.15 3.33 3.38 0.00 -1.26 -4.99 105.19 108.15 1lyb n GLY 35 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1lyb n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lyb n SER 36 N 1.00 -1.83 -0.06 1.61 3.41 -1.23 -5.10 113.62 111.43 1lyb n SER 36 Ca 0.16 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1lyb n SER 36 Cb 0.49 3.13 0.00 0.00 -0.26 0.00 0.00 64.21 67.57 1lyb n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lyb n SER 37 N -1.54 0.22 -4.68 4.04 7.64 -1.26 -4.93 113.62 113.10 1lyb n SER 37 Ca -0.05 -1.25 -0.33 0.00 1.01 0.00 0.00 58.87 58.24 1lyb n SER 37 Cb 0.54 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.62 1lyb n SER 37 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1lyb s ASN 38 N -0.26 5.16 -0.07 6.43 -0.87 -1.26 -5.10 114.94 118.97 1lyb s ASN 38 Ca 0.00 0.05 -0.06 0.00 -1.57 0.00 0.00 52.86 51.29 1lyb s ASN 38 Cb 0.00 -1.39 -0.04 0.00 -0.02 0.00 0.00 41.25 39.81 1lyb s ASN 38 CO 0.00 0.32 0.17 -0.22 -2.57 0.00 0.00 177.10 174.80 1lyb s LEU 39 N -1.31 4.38 0.15 0.60 2.96 -1.26 -5.08 118.68 119.12 1lyb s LEU 39 Ca 0.17 0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 54.31 1lyb s LEU 39 Cb -0.11 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.33 1lyb s LEU 39 CO 0.07 0.35 0.57 -1.66 -1.32 0.00 0.00 176.35 174.36 1lyb s TRP 40 N -1.15 -0.49 0.13 5.38 1.48 -1.26 -5.12 118.94 117.91 1lyb s TRP 40 Ca 0.20 0.28 -0.06 0.00 -1.06 0.00 0.00 56.10 55.46 1lyb s TRP 40 Cb -0.12 0.51 -0.02 0.00 -1.16 0.00 0.00 33.47 32.68 1lyb s TRP 40 CO 0.10 -0.82 0.18 0.14 -4.06 0.00 0.00 176.95 172.49 1lyb s VAL 41 N -3.70 0.10 0.32 -0.66 -7.23 -1.26 -5.04 120.40 102.93 1lyb s VAL 41 Ca 0.01 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.37 1lyb s VAL 41 Cb -0.01 -1.77 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 1lyb s VAL 41 CO -0.12 -0.46 1.27 -2.84 -0.31 0.00 0.00 175.10 172.63 1lyb s PRO 42 N -3.96 4.41 0.08 4.82 0.02 -1.26 -4.93 135.00 134.17 1lyb s PRO 42 Ca 0.16 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 1lyb s PRO 42 Cb 0.05 -3.09 -0.06 0.00 0.02 0.00 0.00 34.50 31.41 1lyb s PRO 42 CO -0.02 -0.12 0.51 0.45 -0.33 0.00 0.00 177.00 177.48 1lyb s SER 43 N -0.54 6.89 0.27 2.53 0.15 -1.26 -1.17 113.70 120.56 1lyb s SER 43 Ca 0.48 1.09 0.15 0.00 0.70 0.00 0.00 55.95 58.37 1lyb s SER 43 Cb -0.38 -2.29 0.84 0.00 -1.71 0.00 0.00 66.02 62.47 1lyb s SER 43 CO 0.51 0.23 1.43 2.30 1.20 0.00 0.00 173.24 178.90 1lyb n ILE 44 N 1.39 1.02 -1.26 6.45 -5.35 -0.37 -0.88 119.36 120.37 1lyb n ILE 44 Ca -0.10 0.70 -0.14 0.00 -0.27 0.00 0.00 62.75 62.94 1lyb n ILE 44 Cb 0.52 -1.70 0.21 0.00 -1.74 0.00 0.00 39.64 36.93 1lyb n ILE 44 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1lyb n HIS 45 N -2.05 2.34 -2.47 4.28 8.25 -1.26 -5.00 115.22 119.30 1lyb n HIS 45 Ca -0.01 -1.64 -0.38 0.00 -0.26 0.00 0.00 57.72 55.43 1lyb n HIS 45 Cb 0.13 -0.76 -0.04 0.00 1.12 0.00 0.00 29.99 30.44 1lyb n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lyb n LYS 47 N 0.39 -0.10 -0.34 0.00 4.76 -1.26 -4.87 118.16 116.74 1lyb n LYS 47 Ca 0.03 0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1lyb n LYS 47 Cb 0.47 -2.13 0.09 0.00 -1.84 0.00 0.00 35.03 31.63 1lyb n LYS 47 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1lyb h LEU 48 N -1.26 1.04 -0.11 -0.35 5.85 -2.02 -1.70 115.31 116.76 1lyb h LEU 48 Ca -0.44 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1lyb h LEU 48 Cb 1.29 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1lyb h LEU 48 CO 0.40 0.75 0.21 0.18 -0.34 0.00 0.00 178.44 179.64 1lyb n LEU 49 N -4.45 0.04 -3.75 2.25 7.99 -1.26 -4.05 117.00 113.77 1lyb n LEU 49 Ca 0.10 0.34 -0.42 0.00 -0.01 0.00 0.00 56.01 56.02 1lyb n LEU 49 Cb 0.01 -0.33 0.01 0.00 -0.11 0.00 0.00 43.42 43.00 1lyb n LEU 49 CO 0.37 -0.35 1.82 -0.67 -1.51 0.00 0.00 177.39 177.05 1lyb n ASP 50 N -1.40 6.55 -0.30 -1.43 2.03 -0.64 -4.80 116.55 116.55 1lyb n ASP 50 Ca -0.00 -3.27 0.14 0.00 0.52 0.00 0.00 54.79 52.18 1lyb n ASP 50 Cb 0.21 -1.35 0.27 0.00 -0.72 0.00 0.00 41.12 39.53 1lyb n ASP 50 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1lyb n ILE 51 N 1.93 -0.37 -0.23 5.18 5.41 -1.26 -0.69 119.36 129.34 1lyb n ILE 51 Ca 0.44 1.92 0.04 0.00 1.00 0.00 0.00 62.75 66.15 1lyb n ILE 51 Cb 0.31 -2.82 0.16 0.00 -0.71 0.00 0.00 39.64 36.57 1lyb n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1lyb h ALA 52 N 1.75 0.91 0.00 -1.39 0.00 -1.95 -1.50 119.26 117.09 1lyb h ALA 52 Ca 0.55 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1lyb h ALA 52 Cb 1.15 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1lyb h ALA 52 CO -0.81 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.16 1lyb h TRP 54 N 0.00 0.00 -0.29 0.00 6.55 -1.34 -0.45 115.95 120.42 1lyb h TRP 54 Ca 0.00 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.78 1lyb h TRP 54 Cb 0.73 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.99 1lyb h TRP 54 CO 0.00 0.07 -0.01 0.44 -1.05 0.00 0.00 178.44 177.89 1lyb n ILE 55 N -3.82 2.36 -4.41 1.49 -5.35 -0.95 -5.02 119.36 103.67 1lyb n ILE 55 Ca -0.02 -2.15 -0.21 0.00 -0.27 0.00 0.00 62.75 60.10 1lyb n ILE 55 Cb 0.16 -0.28 -0.09 0.00 -1.74 0.00 0.00 39.64 37.69 1lyb n ILE 55 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1lyb s HIS 56 N -2.96 1.73 0.17 4.28 3.76 -0.18 -5.11 115.29 116.97 1lyb s HIS 56 Ca 0.43 -1.22 -0.30 0.00 -0.15 0.00 0.00 55.06 53.82 1lyb s HIS 56 Cb 0.36 -1.05 -0.07 0.00 1.11 0.00 0.00 32.58 32.93 1lyb s HIS 56 CO 0.06 -0.30 0.99 -1.01 -0.85 0.00 0.00 174.74 173.62 1lyb s HIS 57 N -3.45 3.82 -0.07 1.40 3.76 -1.26 -4.93 115.29 114.56 1lyb s HIS 57 Ca 0.33 1.80 0.03 0.00 -0.15 0.00 0.00 55.06 57.06 1lyb s HIS 57 Cb 0.06 -3.08 -0.02 0.00 1.11 0.00 0.00 32.58 30.64 1lyb s HIS 57 CO 0.16 0.10 -0.14 0.15 -0.85 0.00 0.00 174.74 174.15 1lyb s LYS 58 N -0.51 2.71 0.12 1.40 1.02 -1.26 -4.24 119.74 118.98 1lyb s LYS 58 Ca 0.45 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.47 1lyb s LYS 58 Cb -0.26 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1lyb s LYS 58 CO 0.32 0.52 0.85 -0.47 -0.92 0.00 0.00 175.35 175.65 1lyb s TYR 59 N -0.46 3.84 -0.18 3.18 5.04 -0.32 -4.69 117.35 123.76 1lyb s TYR 59 Ca 0.06 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1lyb s TYR 59 Cb -0.12 -2.90 0.04 0.00 0.35 0.00 0.00 41.96 39.34 1lyb s TYR 59 CO 0.02 0.34 -0.08 1.21 -1.34 0.00 0.00 175.55 175.70 1lyb s ASN 60 N -0.48 3.13 0.33 4.32 2.47 -1.26 -1.24 114.94 122.22 1lyb s ASN 60 Ca 0.41 -0.78 0.05 0.00 0.42 0.00 0.00 52.86 52.95 1lyb s ASN 60 Cb -0.23 -1.08 0.59 0.00 -1.45 0.00 0.00 41.25 39.09 1lyb s ASN 60 CO 0.27 -0.16 1.86 0.77 -3.72 0.00 0.00 177.10 176.12 1lyb h SER 61 N 8.04 0.47 0.20 -4.21 4.64 -1.96 -2.86 113.55 117.86 1lyb h SER 61 Ca -0.26 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1lyb h SER 61 Cb 1.10 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1lyb h SER 61 CO 0.44 0.57 0.00 0.47 -0.87 0.00 0.00 176.83 177.44 1lyb n ASP 62 N -4.26 0.00 -1.44 4.97 9.92 -1.26 -0.03 116.55 124.46 1lyb n ASP 62 Ca 0.01 0.33 0.09 0.00 -0.53 0.00 0.00 54.79 54.69 1lyb n ASP 62 Cb 0.27 -0.39 0.33 0.00 -0.64 0.00 0.00 41.12 40.69 1lyb n ASP 62 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1lyb n LYS 63 N -1.39 3.59 -5.10 -1.24 5.02 -1.08 -4.93 118.16 113.04 1lyb n LYS 63 Ca 0.03 -2.81 -0.30 0.00 -2.02 0.00 0.00 58.31 53.21 1lyb n LYS 63 Cb 0.07 -1.83 -0.17 0.00 -0.02 0.00 0.00 35.03 33.09 1lyb n LYS 63 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lyb s SER 64 N -1.02 2.77 0.31 4.39 0.15 0.96 -4.17 113.70 117.09 1lyb s SER 64 Ca 0.48 -0.47 0.23 0.00 0.70 0.00 0.00 55.95 56.88 1lyb s SER 64 Cb 0.31 -0.96 0.21 0.00 -1.71 0.00 0.00 66.02 63.87 1lyb s SER 64 CO 0.22 0.18 1.35 0.77 1.20 0.00 0.00 173.24 176.97 1lyb h SER 65 N 6.38 0.00 -0.60 5.45 4.64 -1.27 -3.32 113.55 124.82 1lyb h SER 65 Ca -0.28 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1lyb h SER 65 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1lyb h SER 65 CO 0.47 0.01 0.00 0.41 -0.87 0.00 0.00 176.83 176.85 1lyb n THR 66 N -2.83 2.57 -2.87 2.95 -1.04 -1.26 -4.97 114.28 106.83 1lyb n THR 66 Ca 0.02 -1.36 -0.40 0.00 -2.04 0.00 0.00 64.05 60.28 1lyb n THR 66 Cb 0.53 -0.19 -0.06 0.00 -1.82 0.00 0.00 70.33 68.79 1lyb n THR 66 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1lyb s TYR 67 N -2.57 3.93 -0.11 -1.42 5.04 -1.25 -4.51 117.35 116.46 1lyb s TYR 67 Ca 0.54 1.77 0.02 0.00 -2.44 0.00 0.00 57.07 56.96 1lyb s TYR 67 Cb 0.40 -2.87 0.01 0.00 0.35 0.00 0.00 41.96 39.86 1lyb s TYR 67 CO 0.18 0.48 -0.17 0.08 -1.34 0.00 0.00 175.55 174.78 1lyb s VAL 68 N -1.19 1.62 0.68 3.14 1.01 -0.74 -5.02 120.40 119.90 1lyb s VAL 68 Ca 0.39 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1lyb s VAL 68 Cb -0.24 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 1lyb s VAL 68 CO 0.29 0.46 1.06 -1.59 0.00 0.00 0.00 175.10 175.32 1lyb s LYS 69 N 0.93 3.07 0.11 2.72 -2.85 -1.26 -2.19 119.74 120.27 1lyb s LYS 69 Ca -0.07 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1lyb s LYS 69 Cb -0.15 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.60 1lyb s LYS 69 CO -0.01 -0.96 0.00 -1.71 0.10 0.00 0.00 175.35 172.77 1lyb n ASN 70 N -3.01 -0.19 0.00 0.03 2.85 -1.25 -4.82 115.26 108.87 1lyb n ASN 70 Ca 0.07 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1lyb n ASN 70 Cb 0.54 0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.85 1lyb n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lyb n GLY 71 N 1.27 2.90 3.77 8.20 0.00 -0.01 -4.97 105.19 116.35 1lyb n GLY 71 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1lyb n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lyb s THR 72 N -2.51 2.60 0.56 2.61 2.01 -1.26 -4.53 115.64 115.12 1lyb s THR 72 Ca 0.00 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 1lyb s THR 72 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1lyb s THR 72 CO 0.00 0.07 1.16 -0.44 -0.69 0.00 0.00 174.62 174.71 1lyb s SER 73 N -0.79 5.55 0.02 3.53 0.01 -1.26 -0.22 113.70 120.53 1lyb s SER 73 Ca 0.58 2.25 -0.03 0.00 1.31 0.00 0.00 55.95 60.06 1lyb s SER 73 Cb -0.38 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.25 1lyb s SER 73 CO 0.48 -1.34 0.04 0.72 0.41 0.00 0.00 173.24 173.55 1lyb s PHE 74 N -1.71 0.21 -0.11 2.43 -0.71 -0.47 -4.78 117.98 112.85 1lyb s PHE 74 Ca 0.74 -0.47 -0.05 0.00 -1.04 0.00 0.00 56.93 56.12 1lyb s PHE 74 Cb -0.26 -0.16 0.05 0.00 -1.21 0.00 0.00 43.02 41.44 1lyb s PHE 74 CO 0.29 -0.27 0.24 0.34 -1.34 0.00 0.00 175.22 174.48 1lyb s ASP 75 N -1.70 0.01 0.00 1.98 2.15 -1.26 -1.36 116.67 116.50 1lyb s ASP 75 Ca -0.12 0.51 0.04 0.00 0.43 0.00 0.00 52.55 53.42 1lyb s ASP 75 Cb -0.06 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 43.01 1lyb s ASP 75 CO -0.02 -0.19 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.03 1lyb s ILE 76 N 1.68 1.05 -0.11 4.11 1.01 -0.86 -5.00 121.20 123.08 1lyb s ILE 76 Ca -0.05 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1lyb s ILE 76 Cb -0.11 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1lyb s ILE 76 CO -0.08 0.20 -0.23 -1.00 0.00 0.00 0.00 174.94 173.84 1lyb s HIS 77 N -0.47 2.60 0.36 3.97 3.76 -1.26 -2.04 115.29 122.21 1lyb s HIS 77 Ca 0.04 -1.07 0.07 0.00 -0.15 0.00 0.00 55.06 53.96 1lyb s HIS 77 Cb -0.06 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1lyb s HIS 77 CO 0.00 -0.44 0.36 0.71 -0.85 0.00 0.00 174.74 174.53 1lyb s TYR 78 N 0.43 2.89 0.52 1.40 2.02 0.96 -4.96 117.35 120.61 1lyb s TYR 78 Ca -0.16 -0.34 0.18 0.00 -0.37 0.00 0.00 57.07 56.38 1lyb s TYR 78 Cb -0.17 -1.96 1.35 0.00 -0.40 0.00 0.00 41.96 40.77 1lyb s TYR 78 CO 0.07 0.03 2.15 0.78 -1.57 0.00 0.00 175.55 177.01 1lyb h GLY 79 N 1.09 0.00 0.92 0.71 0.00 -1.99 -2.78 103.07 101.01 1lyb h GLY 79 Ca -0.44 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.58 1lyb h GLY 79 CO 0.56 0.00 -1.76 1.76 0.00 0.00 0.00 176.54 177.10 1lyb h SER 80 N 0.00 0.14 -5.25 0.19 0.02 -2.03 -3.51 113.55 103.11 1lyb h SER 80 Ca -0.00 -0.31 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1lyb h SER 80 Cb 0.04 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1lyb h SER 80 CO 0.00 1.27 0.45 -0.83 -1.14 0.00 0.00 176.83 176.58 1lyb s GLY 81 N -5.23 0.05 0.06 -3.77 0.00 -1.05 -5.17 107.32 92.22 1lyb s GLY 81 Ca -0.10 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.41 1lyb s GLY 81 CO 0.81 0.81 -0.22 -0.45 0.00 0.00 0.00 173.10 174.05 1lyb s SER 82 N -3.14 2.68 0.25 1.64 0.15 -1.26 -0.03 113.70 113.99 1lyb s SER 82 Ca 0.16 -0.59 -0.10 0.00 0.70 0.00 0.00 55.95 56.13 1lyb s SER 82 Cb -0.03 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1lyb s SER 82 CO 0.06 0.16 0.43 -1.48 1.20 0.00 0.00 173.24 173.61 1lyb s LEU 83 N -1.41 0.52 0.12 3.45 2.34 -0.87 -5.01 118.68 117.82 1lyb s LEU 83 Ca 0.09 -1.06 -0.20 0.00 0.06 0.00 0.00 54.13 53.01 1lyb s LEU 83 Cb -0.09 1.53 0.05 0.00 -0.56 0.00 0.00 46.19 47.12 1lyb s LEU 83 CO 0.03 -1.12 0.51 -0.44 -1.06 0.00 0.00 176.35 174.27 1lyb s SER 84 N -3.06 -0.41 0.00 1.48 0.01 -1.26 -2.02 113.70 108.43 1lyb s SER 84 Ca 0.26 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1lyb s SER 84 Cb 0.01 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1lyb s SER 84 CO 0.11 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1lyb n GLY 85 N -0.16 -0.71 3.25 3.44 0.00 -0.46 -4.99 105.19 105.55 1lyb n GLY 85 Ca -0.17 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 1lyb n GLY 85 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lyb s TYR 86 N -3.92 1.47 0.40 1.61 1.13 -1.26 -1.37 117.35 115.40 1lyb s TYR 86 Ca 0.00 -0.54 -0.10 0.00 -1.41 0.00 0.00 57.07 55.03 1lyb s TYR 86 Cb 0.00 -0.76 -0.06 0.00 -1.10 0.00 0.00 41.96 40.04 1lyb s TYR 86 CO 0.00 0.17 0.75 -0.51 -2.51 0.00 0.00 175.55 173.45 1lyb s LEU 87 N -2.45 3.84 0.00 -3.49 1.43 0.69 -4.87 118.68 113.83 1lyb s LEU 87 Ca 0.10 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1lyb s LEU 87 Cb -0.05 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 1lyb s LEU 87 CO 0.03 -0.39 0.18 -1.20 0.23 0.00 0.00 176.35 175.21 1lyb n SER 88 N -1.33 -0.47 -3.81 2.29 7.64 -1.26 -0.83 113.62 115.85 1lyb n SER 88 Ca 0.02 -2.27 -0.13 0.00 1.01 0.00 0.00 58.87 57.51 1lyb n SER 88 Cb 0.54 1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 64.67 1lyb n SER 88 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1lyb s GLN 89 N -2.75 0.17 0.04 1.43 0.74 -0.93 -4.85 119.66 113.50 1lyb s GLN 89 Ca 0.23 0.24 -0.28 0.00 0.05 0.00 0.00 55.36 55.60 1lyb s GLN 89 Cb 0.01 0.04 0.10 0.00 1.10 0.00 0.00 33.01 34.26 1lyb s GLN 89 CO 0.16 -0.04 1.20 0.34 -0.55 0.00 0.00 175.29 176.39 1lyb s ASP 90 N 0.26 -0.06 0.34 6.67 -1.08 -1.26 -1.80 116.67 119.75 1lyb s ASP 90 Ca -0.02 -0.27 -0.26 0.00 -0.52 0.00 0.00 52.55 51.49 1lyb s ASP 90 Cb -0.03 0.26 -0.10 0.00 -1.46 0.00 0.00 42.92 41.60 1lyb s ASP 90 CO -0.01 -0.49 1.00 -0.89 0.52 0.00 0.00 175.17 175.30 1lyb s THR 91 N -2.45 3.96 -0.10 1.71 2.01 -1.26 -4.94 115.64 114.57 1lyb s THR 91 Ca 0.18 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.81 1lyb s THR 91 Cb 0.02 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1lyb s THR 91 CO -0.01 0.12 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.19 1lyb s VAL 92 N -1.58 1.50 -0.11 3.82 1.01 -1.26 -2.10 120.40 121.67 1lyb s VAL 92 Ca 0.52 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1lyb s VAL 92 Cb -0.21 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1lyb s VAL 92 CO 0.27 0.44 -0.00 -0.44 0.00 0.00 0.00 175.10 175.37 1lyb s SER 93 N 0.79 5.17 -0.09 3.32 0.01 -0.32 -4.96 113.70 117.62 1lyb s SER 93 Ca -0.11 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 1lyb s SER 93 Cb -0.16 -1.61 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1lyb s SER 93 CO 0.02 0.30 -0.02 -0.69 0.41 0.00 0.00 173.24 173.26 1lyb s VAL 94 N -0.42 0.58 0.00 3.43 1.01 -1.26 -1.66 120.40 122.08 1lyb s VAL 94 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1lyb s VAL 94 Cb -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1lyb s VAL 94 CO 0.02 0.29 0.00 -2.65 0.00 0.00 0.00 175.10 172.76 1lyb n PRO 95 N 5.08 -0.23 -2.37 2.72 -0.02 -1.26 -4.83 135.00 134.10 1lyb n PRO 95 Ca -0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 1lyb n PRO 95 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 1lyb n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48