#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lny s LYS 2 N 0.00 3.43 0.14 -0.52 1.02 -1.26 -5.00 119.74 117.55 3lny s LYS 2 Ca 0.00 -0.48 -0.34 0.00 0.02 0.00 0.00 55.97 55.16 3lny s LYS 2 Cb 0.00 -2.72 -0.15 0.00 -0.52 0.00 0.00 37.83 34.44 3lny s LYS 2 CO 0.00 0.19 1.42 -2.30 -0.92 0.00 0.00 175.35 173.74 3lny n PRO 3 N -1.70 1.65 0.00 -1.68 -0.02 -1.26 -1.11 135.00 130.88 3lny n PRO 3 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3lny n PRO 3 Cb 0.57 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3lny n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lny n GLY 4 N 2.77 2.23 3.78 -1.23 0.00 0.03 -4.98 105.19 107.79 3lny n GLY 4 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3lny n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lny s ASP 5 N -1.53 6.93 0.25 1.61 1.01 -0.27 -4.71 116.67 119.97 3lny s ASP 5 Ca 0.00 2.08 -0.30 0.00 0.71 0.00 0.00 52.55 55.05 3lny s ASP 5 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 3lny s ASP 5 CO 0.00 -0.37 0.96 -0.63 0.21 0.00 0.00 175.17 175.35 3lny s ILE 6 N -1.52 3.99 0.13 0.77 -1.09 -1.26 -0.94 121.20 121.28 3lny s ILE 6 Ca 0.54 1.97 -0.10 0.00 -2.23 0.00 0.00 60.65 60.83 3lny s ILE 6 Cb -0.24 -4.24 -0.00 0.00 -1.58 0.00 0.00 42.46 36.40 3lny s ILE 6 CO 0.31 0.44 0.26 0.72 -1.23 0.00 0.00 174.94 175.44 3lny s PHE 7 N -1.22 0.23 0.10 3.97 -0.12 -0.33 -4.95 117.98 115.65 3lny s PHE 7 Ca 0.42 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 3lny s PHE 7 Cb -0.26 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 3lny s PHE 7 CO 0.33 -0.65 -0.11 -1.83 -0.05 0.00 0.00 175.22 172.90 3lny s GLU 8 N -3.91 0.89 0.05 1.99 -1.05 -1.26 -0.53 118.70 114.89 3lny s GLU 8 Ca 0.11 -1.18 -0.00 0.00 -0.15 0.00 0.00 54.97 53.74 3lny s GLU 8 Cb 0.04 -0.62 -0.04 0.00 -0.44 0.00 0.00 34.13 33.07 3lny s GLU 8 CO -0.06 0.10 -0.04 0.14 0.95 0.00 0.00 175.26 176.36 3lny s VAL 9 N -2.39 0.26 -0.31 1.83 -7.23 -0.34 -5.00 120.40 107.23 3lny s VAL 9 Ca 0.06 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 3lny s VAL 9 Cb -0.03 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.65 3lny s VAL 9 CO 0.01 -0.89 0.02 -1.61 -0.31 0.00 0.00 175.10 172.32 3lny s GLU 10 N -3.45 2.45 -0.20 4.82 0.41 -1.26 -1.09 118.70 120.38 3lny s GLU 10 Ca 0.03 -1.26 -0.04 0.00 -0.41 0.00 0.00 54.97 53.29 3lny s GLU 10 Cb 0.04 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.14 3lny s GLU 10 CO -0.08 -0.64 -0.02 -1.17 -0.49 0.00 0.00 175.26 172.86 3lny s LEU 11 N 1.27 3.11 -0.05 1.80 2.96 0.12 -4.89 118.68 122.99 3lny s LEU 11 Ca -0.04 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 3lny s LEU 11 Cb -0.20 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3lny s LEU 11 CO -0.01 0.05 0.62 0.00 -1.32 0.00 0.00 176.35 175.70 3lny s ALA 12 N 1.08 3.41 0.70 5.97 0.00 -1.26 -0.76 121.76 130.91 3lny s ALA 12 Ca 0.02 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 3lny s ALA 12 Cb -0.14 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.18 3lny s ALA 12 CO 0.01 0.01 1.18 0.15 0.00 0.00 0.00 175.76 177.11 3lny s LYS 13 N 0.41 2.36 -0.05 0.00 1.02 0.52 -4.73 119.74 119.27 3lny s LYS 13 Ca 0.33 1.65 0.05 0.00 0.02 0.00 0.00 55.97 58.03 3lny s LYS 13 Cb -0.17 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3lny s LYS 13 CO 0.16 -1.64 -0.21 1.21 -0.92 0.00 0.00 175.35 173.95 3lny s ASN 14 N -2.17 2.65 -1.40 2.83 3.84 -0.61 -4.71 114.94 115.37 3lny s ASN 14 Ca 0.72 -0.44 -0.04 0.00 0.21 0.00 0.00 52.86 53.31 3lny s ASN 14 Cb -0.27 -0.73 0.02 0.00 -0.55 0.00 0.00 41.25 39.72 3lny s ASN 14 CO 0.44 0.20 0.31 -0.67 -2.79 0.00 0.00 177.10 174.59 3lny n ASP 15 N 3.04 -4.91 -2.04 -4.21 4.64 -1.26 -1.46 116.55 110.34 3lny n ASP 15 Ca -0.18 -0.14 -0.21 0.00 -1.38 0.00 0.00 54.79 52.89 3lny n ASP 15 Cb 0.52 -4.05 -0.04 0.00 -1.04 0.00 0.00 41.12 36.51 3lny n ASP 15 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3lny n ASN 16 N -2.19 -5.71 -4.06 1.67 5.15 -1.26 -4.98 115.26 103.89 3lny n ASN 16 Ca -0.12 0.19 -0.16 0.00 -0.60 0.00 0.00 54.58 53.88 3lny n ASN 16 Cb 0.61 -4.83 -0.13 0.00 -0.53 0.00 0.00 39.78 34.90 3lny n ASN 16 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3lny s SER 17 N -2.35 1.07 0.35 1.20 0.15 -0.53 -5.03 113.70 108.55 3lny s SER 17 Ca 0.00 -0.37 0.27 0.00 0.70 0.00 0.00 55.95 56.55 3lny s SER 17 Cb 0.00 -0.05 0.98 0.00 -1.71 0.00 0.00 66.02 65.24 3lny s SER 17 CO 0.00 -0.03 1.79 -0.07 1.20 0.00 0.00 173.24 176.12 3lny h LEU 18 N 5.14 0.00 0.00 3.45 3.38 -1.92 -1.62 115.31 123.73 3lny h LEU 18 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3lny h LEU 18 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3lny h LEU 18 CO 0.45 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.59 3lny n GLY 19 N 0.40 0.45 3.14 0.83 0.00 -1.26 -1.83 105.19 106.92 3lny n GLY 19 Ca 0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3lny n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lny s ILE 20 N -2.00 0.67 0.01 -0.61 -4.36 -1.26 -1.19 121.20 112.45 3lny s ILE 20 Ca 0.00 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 3lny s ILE 20 Cb 0.00 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 3lny s ILE 20 CO 0.00 -0.74 -0.08 -0.94 0.24 0.00 0.00 174.94 173.42 3lny s SER 21 N -2.66 4.54 0.11 4.36 1.04 -0.57 -4.95 113.70 115.57 3lny s SER 21 Ca 0.06 -0.17 0.10 0.00 0.48 0.00 0.00 55.95 56.42 3lny s SER 21 Cb 0.01 -1.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 3lny s SER 21 CO -0.03 0.28 -0.24 0.68 0.98 0.00 0.00 173.24 174.90 3lny s VAL 22 N -0.99 2.03 0.12 5.02 -7.23 -1.26 -0.07 120.40 118.02 3lny s VAL 22 Ca 0.17 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 3lny s VAL 22 Cb -0.11 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3lny s VAL 22 CO 0.07 0.04 -0.11 0.28 -0.31 0.00 0.00 175.10 175.07 3lny s THR 23 N -1.08 1.14 0.00 5.32 -1.32 -0.15 -4.84 115.64 114.70 3lny s THR 23 Ca 0.11 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 3lny s THR 23 Cb -0.10 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 3lny s THR 23 CO 0.05 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.51 3lny n GLY 24 N 0.35 -1.47 0.00 6.08 0.00 -1.26 -0.90 105.19 107.99 3lny n GLY 24 Ca -0.14 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3lny n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lny n GLY 25 N -0.27 4.11 0.28 -0.02 0.00 -0.70 -3.87 105.19 104.71 3lny n GLY 25 Ca 0.00 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.59 3lny n GLY 25 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3lny h VAL 26 N 0.78 0.00 -0.22 1.61 -1.51 -0.84 -1.95 116.25 114.13 3lny h VAL 26 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3lny h VAL 26 Cb 0.00 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3lny h VAL 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 175.88 3lny n ASN 27 N -2.88 2.67 -4.87 4.19 6.94 -1.26 -4.89 115.26 115.16 3lny n ASN 27 Ca -0.01 -1.87 -0.27 0.00 -0.02 0.00 0.00 54.58 52.41 3lny n ASN 27 Cb 0.15 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.41 3lny n ASN 27 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3lny s THR 28 N -1.73 1.72 -2.03 5.53 -4.23 -0.73 -5.03 115.64 109.14 3lny s THR 28 Ca 0.35 -1.57 0.20 0.00 -1.18 0.00 0.00 61.69 59.49 3lny s THR 28 Cb 0.21 -2.29 0.56 0.00 1.34 0.00 0.00 72.50 72.32 3lny s THR 28 CO 0.30 0.00 1.47 -1.54 -0.54 0.00 0.00 174.62 174.31 3lny n SER 29 N -1.63 3.43 -4.77 3.99 3.41 -1.26 -4.71 113.62 112.07 3lny n SER 29 Ca -0.04 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.21 3lny n SER 29 Cb 0.64 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3lny n SER 29 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3lny s VAL 30 N -1.16 3.47 -0.24 -3.33 1.01 -1.26 -4.87 120.40 114.01 3lny s VAL 30 Ca 0.43 1.17 -0.22 0.00 0.00 0.00 0.00 61.98 63.36 3lny s VAL 30 Cb 0.22 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 3lny s VAL 30 CO 0.29 0.05 0.86 0.54 0.00 0.00 0.00 175.10 176.85 3lny n ARG 31 N 0.00 0.00 -0.65 2.72 1.74 -1.26 -1.17 116.66 118.05 3lny n ARG 31 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3lny n ARG 31 Cb 0.48 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3lny n ARG 31 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3lny n HIS 32 N 2.57 0.00 -0.98 -1.55 8.25 -1.26 -1.90 115.22 120.34 3lny n HIS 32 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3lny n HIS 32 Cb -0.02 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 29.79 3lny n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lny n GLY 33 N -1.67 0.52 3.64 -1.41 0.00 -0.31 -4.90 105.19 101.05 3lny n GLY 33 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3lny n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lny s GLY 34 N -2.00 1.58 -0.29 -0.02 0.00 -0.80 -1.73 107.32 104.06 3lny s GLY 34 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 3lny s GLY 34 CO 0.00 0.44 0.11 -0.42 0.00 0.00 0.00 173.10 173.22 3lny s ILE 35 N -2.80 4.28 0.16 0.90 -1.09 -1.26 -2.28 121.20 119.11 3lny s ILE 35 Ca 0.66 -0.50 0.11 0.00 -2.23 0.00 0.00 60.65 58.69 3lny s ILE 35 Cb -0.20 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3lny s ILE 35 CO 0.59 0.12 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.88 3lny s TYR 36 N 1.57 2.35 -0.27 3.97 1.51 -0.08 -0.43 117.35 125.97 3lny s TYR 36 Ca 0.04 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 3lny s TYR 36 Cb -0.17 -1.21 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 3lny s TYR 36 CO 0.04 0.43 1.30 0.08 -1.11 0.00 0.00 175.55 176.29 3lny s VAL 37 N -1.40 4.16 -0.03 0.71 1.01 0.33 -0.98 120.40 124.20 3lny s VAL 37 Ca 0.18 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.52 3lny s VAL 37 Cb -0.09 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 31.92 3lny s VAL 37 CO 0.09 -0.40 0.73 0.50 0.00 0.00 0.00 175.10 176.01 3lny h LYS 38 N 9.10 0.14 -2.57 2.72 1.63 -0.81 0.81 116.57 127.61 3lny h LYS 38 Ca -0.26 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.24 3lny h LYS 38 Cb 1.10 0.09 -0.16 0.00 -0.60 0.00 0.00 32.23 32.66 3lny h LYS 38 CO 1.02 0.90 0.13 0.00 -3.45 0.00 0.00 179.45 178.05 3lny s ALA 39 N -2.61 -1.54 -0.21 5.00 0.00 -1.20 -4.80 121.76 116.41 3lny s ALA 39 Ca -0.09 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3lny s ALA 39 Cb 0.07 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 3lny s ALA 39 CO 0.82 -0.52 -0.05 0.08 0.00 0.00 0.00 175.76 176.09 3lny s VAL 40 N -2.32 3.40 0.06 0.00 1.01 -1.26 -1.51 120.40 119.78 3lny s VAL 40 Ca -0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3lny s VAL 40 Cb -0.01 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3lny s VAL 40 CO -0.00 0.43 1.14 -0.63 0.00 0.00 0.00 175.10 176.04 3lny s ILE 41 N 1.31 4.19 0.25 2.22 -1.09 -0.33 -4.95 121.20 122.79 3lny s ILE 41 Ca 0.04 1.60 -0.31 0.00 -2.23 0.00 0.00 60.65 59.75 3lny s ILE 41 Cb -0.14 -4.03 -0.13 0.00 -1.58 0.00 0.00 42.46 36.58 3lny s ILE 41 CO -0.02 0.14 1.36 -2.65 -1.23 0.00 0.00 174.94 172.55 3lny n PRO 42 N 3.74 1.99 -0.85 2.79 -0.02 -1.26 -1.40 135.00 139.99 3lny n PRO 42 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3lny n PRO 42 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3lny n PRO 42 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3lny n GLN 43 N 1.74 -0.74 -2.27 -0.52 3.00 -1.26 -4.99 117.38 112.34 3lny n GLN 43 Ca 0.11 0.19 -0.27 0.00 -0.01 0.00 0.00 57.00 57.01 3lny n GLN 43 Cb 0.32 -4.13 0.15 0.00 0.00 0.00 0.00 30.24 26.59 3lny n GLN 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3lny s GLY 44 N -2.00 1.77 0.08 1.08 0.00 -0.50 -4.84 107.32 102.92 3lny s GLY 44 Ca 0.00 -1.52 -0.24 0.00 0.00 0.00 0.00 44.72 42.96 3lny s GLY 44 CO 0.00 -0.83 1.71 0.00 0.00 0.00 0.00 173.10 173.98 3lny h ALA 45 N -1.11 -0.05 -0.55 3.20 0.00 -1.80 -1.69 119.26 117.27 3lny h ALA 45 Ca -0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3lny h ALA 45 Cb 1.25 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3lny h ALA 45 CO 0.38 -0.52 0.33 0.00 0.00 0.00 0.00 179.25 179.44 3lny h ALA 46 N 0.90 0.70 -0.34 0.00 0.00 -1.58 -1.48 119.26 117.46 3lny h ALA 46 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3lny h ALA 46 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3lny h ALA 46 CO 0.01 0.18 0.22 1.49 0.00 0.00 0.00 179.25 181.14 3lny h GLU 47 N 0.74 0.43 -0.62 0.00 4.81 -1.75 -1.30 114.58 116.88 3lny h GLU 47 Ca 0.20 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3lny h GLU 47 Cb -0.02 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3lny h GLU 47 CO -0.04 0.28 0.12 0.77 -0.73 0.00 0.00 179.01 179.41 3lny h SER 48 N 0.44 0.95 -0.44 1.04 0.02 -1.03 -2.77 113.55 111.76 3lny h SER 48 Ca 0.13 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 3lny h SER 48 Cb -0.04 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3lny h SER 48 CO -0.04 0.94 -0.14 -0.78 -1.14 0.00 0.00 176.83 175.68 3lny h ASP 49 N 0.95 0.88 0.00 3.07 1.82 -1.13 -3.48 116.42 118.53 3lny h ASP 49 Ca 0.20 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 3lny h ASP 49 Cb 0.39 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.16 3lny h ASP 49 CO 0.01 1.05 0.00 0.61 -1.61 0.00 0.00 179.24 179.30 3lny n GLY 50 N -0.16 0.80 0.09 -0.78 0.00 -0.50 -4.92 105.19 99.71 3lny n GLY 50 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3lny n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lny n ARG 51 N -2.01 0.63 -3.94 1.61 1.74 -1.26 -4.89 116.66 108.54 3lny n ARG 51 Ca 0.00 0.17 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 3lny n ARG 51 Cb 0.00 -1.76 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 3lny n ARG 51 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3lny s ILE 52 N -2.90 5.05 0.20 0.55 1.01 -1.26 -5.06 121.20 118.79 3lny s ILE 52 Ca -0.04 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3lny s ILE 52 Cb 0.09 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 3lny s ILE 52 CO 0.82 0.50 -0.02 -1.00 0.00 0.00 0.00 174.94 175.25 3lny s HIS 53 N -0.05 1.39 0.20 3.97 3.76 -1.26 -4.78 115.29 118.53 3lny s HIS 53 Ca 0.08 -0.93 -0.32 0.00 -0.15 0.00 0.00 55.06 53.74 3lny s HIS 53 Cb -0.12 -0.79 -0.15 0.00 1.11 0.00 0.00 32.58 32.63 3lny s HIS 53 CO 0.01 -0.08 1.19 1.17 -0.85 0.00 0.00 174.74 176.17 3lny n LYS 54 N -0.32 1.37 0.00 1.40 4.81 -1.26 -1.72 118.16 122.43 3lny n LYS 54 Ca -0.06 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3lny n LYS 54 Cb 0.63 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.69 3lny n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3lny n GLY 55 N 1.92 2.10 3.76 3.14 0.00 0.28 -4.87 105.19 111.51 3lny n GLY 55 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3lny n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lny s ASP 56 N -1.67 5.28 -0.14 1.61 -0.00 -0.70 -4.05 116.67 117.01 3lny s ASP 56 Ca 0.00 2.30 -0.01 0.00 -0.00 0.00 0.00 52.55 54.84 3lny s ASP 56 Cb 0.00 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 3lny s ASP 56 CO 0.00 -1.53 -0.11 -0.60 -0.00 0.00 0.00 175.17 172.94 3lny s ARG 57 N -3.40 3.46 -0.26 8.23 3.52 -0.53 -0.52 118.95 129.45 3lny s ARG 57 Ca 0.75 -0.64 -0.20 0.00 -0.13 0.00 0.00 55.73 55.51 3lny s ARG 57 Cb -0.28 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 3lny s ARG 57 CO 0.32 0.23 0.62 0.08 -0.81 0.00 0.00 175.30 175.74 3lny s VAL 58 N 0.34 4.99 -0.15 7.11 1.01 0.43 -0.62 120.40 133.51 3lny s VAL 58 Ca -0.09 1.10 0.17 0.00 0.00 0.00 0.00 61.98 63.16 3lny s VAL 58 Cb -0.15 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.05 3lny s VAL 58 CO 0.05 0.03 0.26 0.18 0.00 0.00 0.00 175.10 175.62 3lny n LEU 59 N 5.70 0.21 -3.44 3.92 4.77 0.76 -4.44 117.00 124.49 3lny n LEU 59 Ca -0.01 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3lny n LEU 59 Cb 0.49 0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 3lny n LEU 59 CO 0.43 0.42 0.43 0.00 -1.33 0.00 0.00 177.39 177.33 3lny s ALA 60 N -2.62 -1.64 -0.07 -1.18 0.00 -1.10 -1.08 121.76 114.07 3lny s ALA 60 Ca -0.08 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 3lny s ALA 60 Cb 0.07 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.95 3lny s ALA 60 CO 0.83 -0.71 -0.01 0.08 0.00 0.00 0.00 175.76 175.96 3lny s VAL 61 N -3.35 0.42 -1.56 0.00 1.01 -0.41 -1.77 120.40 114.75 3lny s VAL 61 Ca -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3lny s VAL 61 Cb -0.01 -0.56 0.11 0.00 0.00 0.00 0.00 36.38 35.92 3lny s VAL 61 CO -0.10 0.26 0.85 0.59 0.00 0.00 0.00 175.10 176.71 3lny n ASN 62 N 4.99 -4.24 0.00 3.32 5.03 0.27 -1.69 115.26 122.94 3lny n ASN 62 Ca -0.10 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.56 3lny n ASN 62 Cb 0.50 -3.42 0.00 0.00 -1.02 0.00 0.00 39.78 35.84 3lny n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lny n GLY 63 N -1.52 0.76 3.31 7.41 0.00 -1.26 -5.03 105.19 108.86 3lny n GLY 63 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3lny n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lny s VAL 64 N -2.92 3.06 0.43 1.61 1.01 -0.68 -5.10 120.40 117.81 3lny s VAL 64 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 3lny s VAL 64 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 3lny s VAL 64 CO 0.00 0.48 1.38 -0.55 0.00 0.00 0.00 175.10 176.41 3lny s SER 65 N 1.01 6.07 0.00 3.32 0.15 -1.26 -1.28 113.70 121.70 3lny s SER 65 Ca -0.01 2.83 0.20 0.00 0.70 0.00 0.00 55.95 59.67 3lny s SER 65 Cb -0.15 -2.65 0.59 0.00 -1.71 0.00 0.00 66.02 62.11 3lny s SER 65 CO -0.01 -1.03 1.46 0.18 1.20 0.00 0.00 173.24 175.04 3lny n LEU 66 N -0.03 2.23 -4.67 3.45 4.77 -0.24 -4.90 117.00 117.61 3lny n LEU 66 Ca 0.04 -0.98 -0.45 0.00 -0.03 0.00 0.00 56.01 54.59 3lny n LEU 66 Cb 0.42 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3lny n LEU 66 CO 0.58 0.49 1.07 1.21 -1.33 0.00 0.00 177.39 179.41 3lny n GLU 67 N 0.70 2.06 -0.64 3.23 4.07 -1.26 -1.73 120.64 127.07 3lny n GLU 67 Ca 0.17 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 3lny n GLU 67 Cb 0.40 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 3lny n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3lny n GLY 68 N 2.51 1.54 3.73 8.31 0.00 -1.26 -4.99 105.19 115.04 3lny n GLY 68 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3lny n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lny s ALA 69 N -3.45 3.52 1.17 4.61 0.00 -0.70 -4.68 121.76 122.22 3lny s ALA 69 Ca 0.00 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 3lny s ALA 69 Cb 0.00 -3.48 0.28 0.00 0.00 0.00 0.00 23.12 19.92 3lny s ALA 69 CO 0.00 -0.52 1.03 0.95 0.00 0.00 0.00 175.76 177.22 3lny s THR 70 N 0.30 1.94 0.12 0.00 -4.23 -1.26 -1.08 115.64 111.43 3lny s THR 70 Ca 0.57 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.89 3lny s THR 70 Cb -0.36 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 3lny s THR 70 CO 0.36 0.00 1.76 -0.74 -0.54 0.00 0.00 174.62 175.47 3lny h HIS 71 N -2.60 0.19 -0.48 3.99 2.76 -1.87 -2.09 115.15 115.04 3lny h HIS 71 Ca -0.60 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 57.51 3lny h HIS 71 Cb 1.34 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 3lny h HIS 71 CO -0.04 0.11 0.03 -0.22 -1.30 0.00 0.00 177.93 176.51 3lny h LYS 72 N 0.22 0.83 -0.55 5.26 3.64 -1.92 -0.95 116.57 123.10 3lny h LYS 72 Ca 0.08 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3lny h LYS 72 Cb 0.01 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3lny h LYS 72 CO -0.05 0.86 0.31 1.96 -2.27 0.00 0.00 179.45 180.26 3lny h GLN 73 N 0.69 0.59 -0.44 1.90 4.20 -1.90 -1.09 115.11 119.05 3lny h GLN 73 Ca 0.14 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 3lny h GLN 73 Cb 0.46 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3lny h GLN 73 CO 0.02 0.39 -0.28 0.00 -0.67 0.00 0.00 178.83 178.29 3lny h ALA 74 N 1.27 0.63 -0.41 3.87 0.00 -1.01 -0.37 119.26 123.24 3lny h ALA 74 Ca 0.23 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3lny h ALA 74 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3lny h ALA 74 CO -0.13 0.67 0.13 0.28 0.00 0.00 0.00 179.25 180.20 3lny h VAL 75 N 0.82 1.21 -0.74 0.00 2.07 -1.01 -1.36 116.25 117.24 3lny h VAL 75 Ca 0.09 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3lny h VAL 75 Cb 0.86 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3lny h VAL 75 CO 0.08 0.25 0.48 -0.08 0.02 0.00 0.00 177.57 178.32 3lny h GLU 76 N 0.52 0.97 -0.92 1.57 4.57 -0.97 -0.60 114.58 119.72 3lny h GLU 76 Ca 0.13 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3lny h GLU 76 Cb 0.25 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 3lny h GLU 76 CO -0.01 0.65 0.61 1.15 -1.18 0.00 0.00 179.01 180.23 3lny h THR 77 N 1.00 1.23 -0.24 0.32 2.02 -0.69 0.25 112.91 116.80 3lny h THR 77 Ca 0.27 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 3lny h THR 77 Cb -0.11 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.17 3lny h THR 77 CO -0.06 0.23 -0.37 -0.07 0.37 0.00 0.00 175.52 175.61 3lny h LEU 78 N 1.24 0.57 0.04 2.58 3.38 -0.78 -3.21 115.31 119.12 3lny h LEU 78 Ca 0.34 -0.24 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 3lny h LEU 78 Cb -0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3lny h LEU 78 CO -0.08 0.89 -1.10 0.03 0.09 0.00 0.00 178.44 178.27 3lny h ARG 79 N 0.45 0.08 -2.95 1.13 3.08 -0.73 -3.38 114.38 112.06 3lny h ARG 79 Ca 0.04 -0.13 -0.70 0.00 0.07 0.00 0.00 59.98 59.26 3lny h ARG 79 Cb 0.86 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3lny h ARG 79 CO 0.07 1.04 3.29 -1.71 -1.07 0.00 0.00 179.97 181.60 3lny n ASN 80 N -3.39 8.13 -4.17 7.04 4.05 0.04 -4.84 115.26 122.13 3lny n ASN 80 Ca -0.03 -2.79 -0.11 0.00 0.45 0.00 0.00 54.58 52.10 3lny n ASN 80 Cb 0.97 -1.50 -0.10 0.00 1.23 0.00 0.00 39.78 40.38 3lny n ASN 80 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3lny s THR 81 N 1.08 0.11 0.00 -0.44 -4.23 -1.26 -4.95 115.64 105.95 3lny s THR 81 Ca 0.62 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3lny s THR 81 Cb 0.18 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3lny s THR 81 CO -0.07 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 3lny n GLY 82 N -0.15 0.36 0.16 3.99 0.00 -1.26 -5.00 105.19 103.29 3lny n GLY 82 Ca -0.04 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 3lny n GLY 82 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3lny h GLN 83 N 0.00 0.07 -5.03 1.61 5.75 -1.98 -3.41 115.11 112.11 3lny h GLN 83 Ca 0.00 -0.04 -0.63 0.00 -0.15 0.00 0.00 58.65 57.82 3lny h GLN 83 Cb 0.00 0.00 -0.34 0.00 1.07 0.00 0.00 27.48 28.22 3lny h GLN 83 CO 0.00 0.60 -0.86 0.54 -2.65 0.00 0.00 178.83 176.46 3lny s VAL 84 N -3.80 1.80 -0.08 2.39 0.11 -1.26 -0.35 120.40 119.20 3lny s VAL 84 Ca -0.02 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.24 3lny s VAL 84 Cb 0.13 -1.59 -0.00 0.00 -1.53 0.00 0.00 36.38 33.38 3lny s VAL 84 CO 0.76 0.50 -0.24 -0.69 -3.33 0.00 0.00 175.10 172.10 3lny s VAL 85 N 0.73 2.10 -0.20 2.04 1.01 0.06 -4.91 120.40 121.23 3lny s VAL 85 Ca -0.11 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3lny s VAL 85 Cb -0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3lny s VAL 85 CO 0.02 0.56 0.72 -2.28 0.00 0.00 0.00 175.10 174.11 3lny s HIS 86 N 0.14 3.36 -0.02 5.22 2.46 -1.26 -0.70 115.29 124.49 3lny s HIS 86 Ca -0.13 1.03 0.07 0.00 0.47 0.00 0.00 55.06 56.51 3lny s HIS 86 Cb -0.16 -2.90 -0.02 0.00 -0.13 0.00 0.00 32.58 29.37 3lny s HIS 86 CO 0.07 -0.25 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.36 3lny s LEU 87 N 2.20 2.04 -0.15 8.88 1.43 -0.25 -0.57 118.68 132.26 3lny s LEU 87 Ca 0.32 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3lny s LEU 87 Cb -0.16 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3lny s LEU 87 CO 0.10 0.27 -0.11 -0.22 0.23 0.00 0.00 176.35 176.63 3lny s LEU 88 N -0.51 2.78 0.13 1.79 2.96 -0.73 -1.19 118.68 123.91 3lny s LEU 88 Ca 0.08 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3lny s LEU 88 Cb -0.09 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3lny s LEU 88 CO -0.01 0.12 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.29 3lny s LEU 89 N 0.64 2.51 -0.17 -0.68 1.02 0.31 -0.17 118.68 122.15 3lny s LEU 89 Ca -0.06 -0.99 -0.03 0.00 0.02 0.00 0.00 54.13 53.07 3lny s LEU 89 Cb -0.15 -0.29 -0.02 0.00 0.02 0.00 0.00 46.19 45.75 3lny s LEU 89 CO 0.03 -0.35 -0.04 -0.70 0.02 0.00 0.00 176.35 175.30 3lny s GLU 90 N -3.65 3.60 0.18 1.70 2.12 0.21 -1.19 118.70 121.68 3lny s GLU 90 Ca 0.14 -0.55 -0.31 0.00 0.36 0.00 0.00 54.97 54.61 3lny s GLU 90 Cb 0.02 -2.91 -0.10 0.00 0.26 0.00 0.00 34.13 31.40 3lny s GLU 90 CO -0.01 0.16 1.55 0.21 -0.54 0.00 0.00 175.26 176.64 3lny s LYS 91 N 0.56 4.22 0.68 4.30 2.47 -0.12 -1.46 119.74 130.40 3lny s LYS 91 Ca -0.03 2.36 -0.04 0.00 -1.56 0.00 0.00 55.97 56.70 3lny s LYS 91 Cb -0.14 -3.14 0.14 0.00 -1.46 0.00 0.00 37.83 33.23 3lny s LYS 91 CO 0.03 -0.58 0.93 0.41 0.16 0.00 0.00 175.35 176.30 3lny n GLY 92 N 3.44 0.12 3.73 5.54 0.00 -1.26 -0.79 105.19 115.97 3lny n GLY 92 Ca 0.12 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 3lny n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lny s GLN 93 N -4.93 4.19 0.00 1.61 1.11 -1.26 -4.37 119.66 116.01 3lny s GLN 93 Ca 0.59 -0.16 0.31 0.00 0.01 0.00 0.00 55.36 56.10 3lny s GLN 93 Cb -0.03 -3.42 1.61 0.00 -1.01 0.00 0.00 33.01 30.16 3lny s GLN 93 CO 0.40 0.29 2.06 0.43 0.01 0.00 0.00 175.29 178.48