#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ily s LEU 23 N 0.00 3.52 -0.22 6.15 1.43 -1.26 -1.19 118.68 127.11 1ily s LEU 23 Ca 0.00 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1ily s LEU 23 Cb 0.00 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1ily s LEU 23 CO 0.00 0.29 0.13 -0.60 0.23 0.00 0.00 176.35 176.39 1ily s ARG 24 N -0.32 4.06 0.09 1.70 3.52 0.18 0.26 118.95 128.43 1ily s ARG 24 Ca 0.07 -0.28 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 1ily s ARG 24 Cb -0.12 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.77 1ily s ARG 24 CO 0.02 0.16 0.57 -1.17 -0.81 0.00 0.00 175.30 174.07 1ily s LEU 25 N 0.75 4.49 -0.16 -0.88 0.20 0.36 -1.10 118.68 122.34 1ily s LEU 25 Ca 0.07 1.23 -0.04 0.00 0.69 0.00 0.00 54.13 56.08 1ily s LEU 25 Cb -0.13 -2.96 0.07 0.00 -0.43 0.00 0.00 46.19 42.74 1ily s LEU 25 CO 0.02 0.24 0.14 -0.44 -0.29 0.00 0.00 176.35 176.02 1ily s SER 26 N -1.22 1.69 -0.05 3.68 0.01 0.38 -2.94 113.70 115.26 1ily s SER 26 Ca 0.31 -0.29 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 1ily s SER 26 Cb -0.19 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1ily s SER 26 CO 0.19 -0.32 0.43 0.54 0.41 0.00 0.00 173.24 174.49 1ily s VAL 27 N 2.22 5.08 -0.19 3.43 0.11 -1.26 0.47 120.40 130.27 1ily s VAL 27 Ca 0.04 0.88 0.01 0.00 -2.93 0.00 0.00 61.98 59.98 1ily s VAL 27 Cb -0.15 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1ily s VAL 27 CO -0.09 0.48 -0.11 0.12 -3.33 0.00 0.00 175.10 172.16 1ily s PHE 28 N -0.37 2.43 -0.15 1.54 5.36 0.22 -4.86 117.98 122.15 1ily s PHE 28 Ca 0.24 -1.56 0.00 0.00 -0.96 0.00 0.00 56.93 54.65 1ily s PHE 28 Cb -0.16 -1.66 0.03 0.00 -0.34 0.00 0.00 43.02 40.89 1ily s PHE 28 CO 0.12 -0.74 -0.11 1.03 -1.46 0.00 0.00 175.22 174.06 1ily s ARG 29 N 1.39 1.97 -0.19 10.12 1.81 -1.26 0.01 118.95 132.80 1ily s ARG 29 Ca -0.00 -0.51 -0.20 0.00 -1.72 0.00 0.00 55.73 53.29 1ily s ARG 29 Cb -0.16 -2.00 -0.21 0.00 -0.45 0.00 0.00 34.95 32.13 1ily s ARG 29 CO -0.09 -0.29 0.27 0.77 -0.68 0.00 0.00 175.30 175.28 1ily h SER 30 N 8.08 0.07 0.00 0.23 0.02 -1.94 -3.49 113.55 116.51 1ily h SER 30 Ca -0.33 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1ily h SER 30 Cb 1.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ily h SER 30 CO 0.48 1.52 0.00 -0.11 -1.14 0.00 0.00 176.83 177.57 1ily n LEU 31 N -4.31 -1.24 -0.36 5.07 0.00 -1.26 -4.93 117.00 109.98 1ily n LEU 31 Ca -0.31 0.42 0.09 0.00 0.00 0.00 0.00 56.01 56.21 1ily n LEU 31 Cb 0.72 1.39 0.18 0.00 0.00 0.00 0.00 43.42 45.72 1ily n LEU 31 CO 0.23 -0.00 0.60 1.17 0.00 0.00 0.00 177.39 179.39 1ily n LYS 32 N -2.71 1.77 -4.68 1.96 4.81 -1.26 -4.98 118.16 113.07 1ily n LYS 32 Ca 0.00 -2.71 -0.25 0.00 -0.87 0.00 0.00 58.31 54.48 1ily n LYS 32 Cb 0.00 -1.61 -0.16 0.00 0.02 0.00 0.00 35.03 33.27 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1ily s HIS 33 N -2.90 1.54 -0.18 5.64 3.76 -1.26 -4.92 115.29 116.97 1ily s HIS 33 Ca 0.36 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1ily s HIS 33 Cb 0.31 -1.08 0.03 0.00 1.11 0.00 0.00 32.58 32.94 1ily s HIS 33 CO 0.04 -0.22 -0.16 -1.50 -0.85 0.00 0.00 174.74 172.05 1ily s ILE 34 N 0.36 1.87 -0.20 0.60 1.10 -1.26 -2.70 121.20 120.97 1ily s ILE 34 Ca -0.09 -0.92 -0.03 0.00 -0.51 0.00 0.00 60.65 59.09 1ily s ILE 34 Cb -0.13 -1.77 0.07 0.00 0.15 0.00 0.00 42.46 40.78 1ily s ILE 34 CO 0.03 0.42 0.06 -0.31 -2.11 0.00 0.00 174.94 173.04 1ily s TYR 35 N 1.34 0.76 -0.21 3.50 1.51 0.10 -2.59 117.35 121.76 1ily s TYR 35 Ca 0.03 -0.76 -0.13 0.00 -1.01 0.00 0.00 57.07 55.20 1ily s TYR 35 Cb -0.14 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1ily s TYR 35 CO -0.11 -0.62 0.26 0.00 -1.11 0.00 0.00 175.55 173.97 1ily s ALA 36 N 1.95 3.59 -0.26 3.71 0.00 -0.48 0.70 121.76 130.98 1ily s ALA 36 Ca 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1ily s ALA 36 Cb -0.17 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.53 1ily s ALA 36 CO -0.12 -0.18 -0.01 -1.14 0.00 0.00 0.00 175.76 174.31 1ily s GLN 37 N 1.03 3.04 -0.61 0.00 2.00 0.18 -2.11 119.66 123.19 1ily s GLN 37 Ca 0.13 -0.86 -0.17 0.00 -2.00 0.00 0.00 55.36 52.45 1ily s GLN 37 Cb -0.14 -3.12 0.13 0.00 0.80 0.00 0.00 33.01 30.68 1ily s GLN 37 CO 0.05 -0.37 0.64 0.42 -0.50 0.00 0.00 175.29 175.53 1ily s ILE 38 N 1.42 5.08 0.34 -2.34 -1.09 0.14 -0.47 121.20 124.28 1ily s ILE 38 Ca 0.02 -1.42 0.07 0.00 -2.23 0.00 0.00 60.65 57.09 1ily s ILE 38 Cb -0.16 -4.44 -0.01 0.00 -1.58 0.00 0.00 42.46 36.27 1ily s ILE 38 CO -0.02 -1.02 0.45 -0.63 -1.23 0.00 0.00 174.94 172.49 1ily s ILE 39 N 1.91 3.96 -0.39 2.92 1.09 -0.26 -2.00 121.20 128.43 1ily s ILE 39 Ca 0.09 -1.04 -0.16 0.00 -1.10 0.00 0.00 60.65 58.44 1ily s ILE 39 Cb -0.24 -3.37 0.01 0.00 -1.06 0.00 0.00 42.46 37.80 1ily s ILE 39 CO 0.02 -0.15 0.40 -0.62 -0.10 0.00 0.00 174.94 174.49 1ily s ASP 40 N -4.16 6.18 -0.22 3.58 -1.08 0.25 0.47 116.67 121.70 1ily s ASP 40 Ca 0.45 -0.52 0.04 0.00 -0.52 0.00 0.00 52.55 52.00 1ily s ASP 40 Cb -0.09 -2.21 0.40 0.00 -1.46 0.00 0.00 42.92 39.56 1ily s ASP 40 CO 0.31 -0.48 1.42 -0.90 0.52 0.00 0.00 175.17 176.04 1ily n ASP 41 N 5.48 3.49 -0.07 -0.34 5.68 -0.34 -2.50 116.55 127.96 1ily n ASP 41 Ca -0.08 -2.78 -0.13 0.00 -0.50 0.00 0.00 54.79 51.29 1ily n ASP 41 Cb 0.48 -0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1ily n GLU 42 N -0.19 0.30 -3.78 0.11 2.13 -1.18 -4.77 120.64 113.25 1ily n GLU 42 Ca 0.28 0.11 -0.24 0.00 0.66 0.00 0.00 57.16 57.97 1ily n GLU 42 Cb 1.05 -1.07 -0.17 0.00 0.27 0.00 0.00 31.44 31.51 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ily s LYS 43 N -2.25 0.73 -0.96 5.31 3.01 -1.24 -5.05 119.74 119.29 1ily s LYS 43 Ca -0.19 -0.03 -0.13 0.00 -1.01 0.00 0.00 55.97 54.62 1ily s LYS 43 Cb 0.06 -1.25 -0.30 0.00 -1.01 0.00 0.00 37.83 35.34 1ily s LYS 43 CO 0.26 -0.36 2.22 0.41 0.51 0.00 0.00 175.35 178.39 1ily n GLY 44 N 5.11 -0.43 2.66 -3.33 0.00 -1.22 -4.48 105.19 103.49 1ily n GLY 44 Ca -0.08 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ily n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ily s VAL 45 N 3.09 -0.14 -0.11 1.61 1.01 -1.04 -4.96 120.40 119.86 1ily s VAL 45 Ca 1.25 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1ily s VAL 45 Cb -0.72 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1ily s VAL 45 CO 0.48 -0.16 1.18 -0.89 0.00 0.00 0.00 175.10 175.71 1ily s THR 46 N 2.18 4.38 -0.10 3.92 2.01 -1.26 0.88 115.64 127.64 1ily s THR 46 Ca 0.03 1.68 -0.12 0.00 0.31 0.00 0.00 61.69 63.60 1ily s THR 46 Cb -0.15 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1ily s THR 46 CO -0.08 -0.06 -0.23 0.18 -0.69 0.00 0.00 174.62 173.74 1ily n LEU 47 N 5.72 1.46 -4.34 4.42 4.32 -0.85 -4.94 117.00 122.80 1ily n LEU 47 Ca 0.12 0.24 -0.29 0.00 -0.02 0.00 0.00 56.01 56.05 1ily n LEU 47 Cb 0.46 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 41.50 1ily n LEU 47 CO 0.55 -0.39 -0.56 -0.69 -1.22 0.00 0.00 177.39 175.07 1ily s VAL 48 N -2.42 2.09 -0.20 4.08 1.01 -0.95 -5.01 120.40 119.00 1ily s VAL 48 Ca -0.19 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.34 1ily s VAL 48 Cb 0.03 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.71 1ily s VAL 48 CO 0.28 0.32 0.36 -0.94 0.00 0.00 0.00 175.10 175.12 1ily s SER 49 N -1.30 0.15 0.11 3.32 1.04 -1.26 0.27 113.70 116.03 1ily s SER 49 Ca 0.11 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.19 1ily s SER 49 Cb -0.10 1.06 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 1ily s SER 49 CO 0.02 -0.26 -0.19 0.00 0.98 0.00 0.00 173.24 173.80 1ily s ALA 50 N 2.53 1.69 -0.15 5.32 0.00 -0.89 -4.99 121.76 125.26 1ily s ALA 50 Ca 0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1ily s ALA 50 Cb -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.84 1ily s ALA 50 CO -0.13 0.28 0.38 0.45 0.00 0.00 0.00 175.76 176.74 1ily s SER 51 N -2.04 -0.43 0.58 0.00 0.15 -1.26 -1.38 113.70 109.33 1ily s SER 51 Ca 0.06 0.79 0.29 0.00 0.70 0.00 0.00 55.95 57.79 1ily s SER 51 Cb -0.09 0.73 1.49 0.00 -1.71 0.00 0.00 66.02 66.44 1ily s SER 51 CO 0.04 -0.16 1.91 -1.28 1.20 0.00 0.00 173.24 174.96 1ily h SER 52 N 6.37 0.00 0.50 5.45 0.87 -1.87 -2.34 113.55 122.53 1ily h SER 52 Ca -0.32 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1ily h SER 52 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1ily h SER 52 CO 0.29 0.00 -0.38 0.25 -0.53 0.00 0.00 176.83 176.46 1ily h LEU 53 N 0.00 -1.01 -2.19 2.23 7.12 -1.92 0.13 115.31 119.68 1ily h LEU 53 Ca 0.22 0.07 0.06 0.00 0.13 0.00 0.00 57.88 58.36 1ily h LEU 53 Cb 1.15 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 41.58 1ily h LEU 53 CO -0.00 -0.55 0.23 0.00 -0.13 0.00 0.00 178.44 177.99 1ily h ALA 54 N -1.24 1.87 -0.36 1.25 0.00 -1.81 0.88 119.26 119.85 1ily h ALA 54 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ily h ALA 54 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ily h ALA 54 CO 0.02 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.21 1ily n LEU 55 N -3.83 2.38 -0.53 0.00 4.32 -0.54 -4.94 117.00 113.86 1ily n LEU 55 Ca 0.02 -1.19 0.00 0.00 -0.02 0.00 0.00 56.01 54.82 1ily n LEU 55 Cb 0.36 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1ily n LEU 55 CO 0.28 0.49 0.00 0.29 -1.22 0.00 0.00 177.39 177.23 1ily n LYS 56 N 0.54 -0.12 -0.77 3.23 4.76 0.30 -4.74 118.16 121.36 1ily n LYS 56 Ca 0.13 -0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.20 1ily n LYS 56 Cb 0.42 0.11 0.11 0.00 -1.84 0.00 0.00 35.03 33.83 1ily n LYS 56 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1ily n LEU 57 N -0.13 -2.42 -1.01 -0.35 -0.00 -1.22 -4.93 117.00 106.93 1ily n LEU 57 Ca 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 56.01 55.87 1ily n LEU 57 Cb 0.00 -0.74 0.16 0.00 -0.00 0.00 0.00 43.42 42.84 1ily n LEU 57 CO 0.00 -2.83 0.34 1.17 -0.00 0.00 0.00 177.39 176.08 1ily n LYS 58 N -0.17 2.13 0.00 1.47 0.00 -1.26 -5.03 118.16 115.29 1ily n LYS 58 Ca 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 58.31 54.79 1ily n LYS 58 Cb 0.60 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ily n GLY 59 N -1.02 6.24 0.00 3.14 0.00 -1.26 -5.10 105.19 107.19 1ily n GLY 59 Ca 0.27 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1ily n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ily n ASN 60 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.02 115.26 115.74 1ily n ASN 60 Ca 0.00 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 1ily n ASN 60 Cb 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1ily n ASN 60 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ily n LYS 61 N -1.80 0.00 0.00 1.20 2.85 -1.26 -4.94 118.16 114.21 1ily n LYS 61 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1ily n LYS 61 Cb 0.00 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.51 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ily n THR 62 N -0.86 0.01 -0.13 0.58 -2.24 -1.26 -3.46 114.28 106.92 1ily n THR 62 Ca 0.00 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1ily n THR 62 Cb 0.00 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1ily n THR 62 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ily h GLU 63 N 0.00 0.78 0.00 -0.78 4.39 -1.95 -3.24 114.58 113.78 1ily h GLU 63 Ca 0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1ily h GLU 63 Cb 0.51 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1ily h GLU 63 CO 0.00 0.95 -1.32 0.28 -1.16 0.00 0.00 179.01 177.76 1ily n VAL 64 N -4.29 0.33 -0.27 3.13 0.31 -1.26 -4.38 118.33 111.90 1ily n VAL 64 Ca -0.02 -0.47 0.26 0.00 -0.01 0.00 0.00 64.34 64.10 1ily n VAL 64 Cb 0.40 -0.12 0.47 0.00 -0.91 0.00 0.00 33.84 33.68 1ily n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ily n ALA 65 N -2.13 0.84 0.34 3.52 0.00 -1.22 0.13 120.51 121.99 1ily n ALA 65 Ca -0.01 0.77 -0.14 0.00 0.00 0.00 0.00 53.44 54.06 1ily n ALA 65 Cb 0.53 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 1ily n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ily h ARG 66 N 0.00 -0.87 -0.76 0.00 2.43 -1.65 -0.51 114.38 113.02 1ily h ARG 66 Ca 0.66 0.06 0.22 0.00 -0.81 0.00 0.00 59.98 60.11 1ily h ARG 66 Cb 1.82 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 31.54 1ily h ARG 66 CO -0.55 -0.58 0.69 1.96 -1.51 0.00 0.00 179.97 179.98 1ily h GLN 67 N -1.24 0.00 -0.02 0.20 4.20 0.79 2.05 115.11 121.08 1ily h GLN 67 Ca -0.09 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 1ily h GLN 67 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ily h GLN 67 CO 0.15 0.00 -0.82 -0.24 -0.67 0.00 0.00 178.83 177.25 1ily h VAL 68 N 0.00 1.44 0.00 -0.54 3.04 0.66 -2.21 116.25 118.64 1ily h VAL 68 Ca 0.36 -2.42 -0.13 0.00 -1.01 0.00 0.00 66.70 63.51 1ily h VAL 68 Cb 1.73 2.33 -0.02 0.00 -2.01 0.00 0.00 31.29 33.32 1ily h VAL 68 CO -0.00 0.71 -0.61 1.23 -1.01 0.00 0.00 177.57 177.89 1ily h GLY 69 N 1.59 0.00 1.69 3.17 0.00 0.47 -0.06 103.07 109.93 1ily h GLY 69 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1ily h GLY 69 CO 0.13 0.00 -0.45 0.07 0.00 0.00 0.00 176.54 176.29 1ily h ARG 70 N 0.00 0.34 0.04 4.80 -0.00 0.07 0.95 114.38 120.58 1ily h ARG 70 Ca -0.01 -0.18 -0.25 0.00 -0.00 0.00 0.00 59.98 59.55 1ily h ARG 70 Cb 1.31 0.01 0.01 0.00 -0.00 0.00 0.00 29.97 31.29 1ily h ARG 70 CO 0.08 0.73 -1.05 0.00 -0.00 0.00 0.00 179.97 179.72 1ily h ALA 71 N 1.25 0.24 -0.30 0.08 0.00 -1.23 0.55 119.26 119.86 1ily h ALA 71 Ca 0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1ily h ALA 71 Cb 0.90 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ily h ALA 71 CO 0.07 0.81 0.04 -0.07 0.00 0.00 0.00 179.25 180.11 1ily h LEU 72 N 0.22 0.48 -0.53 0.00 3.38 -0.60 0.49 115.31 118.76 1ily h LEU 72 Ca -0.11 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.43 1ily h LEU 72 Cb 1.71 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1ily h LEU 72 CO 0.19 0.63 -0.68 0.00 0.09 0.00 0.00 178.44 178.66 1ily h ALA 73 N 0.87 0.73 -0.09 1.53 0.00 0.85 0.39 119.26 123.53 1ily h ALA 73 Ca 0.09 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1ily h ALA 73 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ily h ALA 73 CO 0.01 0.77 -0.56 0.93 0.00 0.00 0.00 179.25 180.40 1ily h GLU 74 N 0.19 0.29 0.12 0.00 5.08 0.33 0.20 114.58 120.78 1ily h GLU 74 Ca -0.02 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1ily h GLU 74 Cb 1.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ily h GLU 74 CO 0.11 0.77 -0.06 0.87 -1.00 0.00 0.00 179.01 179.70 1ily h LYS 75 N 0.22 -0.15 -0.97 2.33 1.57 0.25 -2.41 116.57 117.41 1ily h LYS 75 Ca 0.00 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.06 1ily h LYS 75 Cb 1.06 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 1ily h LYS 75 CO 0.09 -0.10 0.50 0.00 -0.57 0.00 0.00 179.45 179.37 1ily h ALA 76 N -1.81 1.73 -0.93 3.86 0.00 -0.29 0.90 119.26 122.73 1ily h ALA 76 Ca -0.02 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ily h ALA 76 Cb 0.12 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1ily h ALA 76 CO 0.03 -0.44 0.60 -0.07 0.00 0.00 0.00 179.25 179.37 1ily h LEU 77 N 0.39 0.96 -2.02 0.00 3.38 -0.64 -0.34 115.31 117.05 1ily h LEU 77 Ca 0.66 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.69 1ily h LEU 77 Cb 1.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1ily h LEU 77 CO -0.57 0.64 0.38 0.00 0.09 0.00 0.00 178.44 178.98 1ily h ALA 78 N 1.48 1.79 0.00 1.53 0.00 0.14 1.04 119.26 125.24 1ily h ALA 78 Ca 0.39 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1ily h ALA 78 Cb 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1ily h ALA 78 CO -0.13 -0.50 -1.48 -0.07 0.00 0.00 0.00 179.25 177.07 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.07 -3.48 115.31 114.14 1ily h LEU 79 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ily h LEU 79 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ily h LEU 79 CO -0.00 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1ily n GLY 80 N 1.45 1.39 3.59 0.83 0.00 0.36 -5.06 105.19 107.75 1ily n GLY 80 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1ily n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ily s ILE 81 N -2.00 3.67 -0.22 -0.61 1.09 -0.94 -4.84 121.20 117.35 1ily s ILE 81 Ca 0.00 0.64 -0.16 0.00 -1.10 0.00 0.00 60.65 60.03 1ily s ILE 81 Cb 0.00 -4.02 -0.12 0.00 -1.06 0.00 0.00 42.46 37.27 1ily s ILE 81 CO 0.00 -0.72 -0.15 1.17 -0.10 0.00 0.00 174.94 175.14 1ily n LYS 82 N 8.43 0.55 -4.79 2.79 4.81 -1.26 -4.21 118.16 124.48 1ily n LYS 82 Ca 0.19 0.40 -0.32 0.00 -0.87 0.00 0.00 58.31 57.71 1ily n LYS 82 Cb 0.48 -1.60 -0.13 0.00 0.02 0.00 0.00 35.03 33.81 1ily n LYS 82 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ily s GLN 83 N -2.49 2.29 0.23 1.64 -0.44 -1.26 0.14 119.66 119.78 1ily s GLN 83 Ca -0.30 -0.84 0.05 0.00 -2.50 0.00 0.00 55.36 51.78 1ily s GLN 83 Cb 0.08 -2.28 -0.05 0.00 -1.64 0.00 0.00 33.01 29.12 1ily s GLN 83 CO 0.47 0.58 -0.06 0.08 0.50 0.00 0.00 175.29 176.85 1ily s VAL 84 N -0.83 1.39 -0.52 1.34 1.01 0.84 -4.17 120.40 119.45 1ily s VAL 84 Ca 0.13 -2.10 -0.11 0.00 0.00 0.00 0.00 61.98 59.91 1ily s VAL 84 Cb -0.11 -2.25 0.13 0.00 0.00 0.00 0.00 36.38 34.15 1ily s VAL 84 CO 0.03 -0.43 0.42 0.00 0.00 0.00 0.00 175.10 175.12 1ily s ALA 85 N -3.19 3.51 -0.38 5.51 0.00 0.14 -3.99 121.76 123.36 1ily s ALA 85 Ca 0.26 -2.63 -0.28 0.00 0.00 0.00 0.00 51.96 49.31 1ily s ALA 85 Cb 0.03 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1ily s ALA 85 CO 0.08 -1.97 1.05 0.12 0.00 0.00 0.00 175.76 175.05 1ily s PHE 86 N 1.26 3.03 -0.11 0.00 5.36 -1.26 -0.48 117.98 125.77 1ily s PHE 86 Ca 0.07 0.93 0.15 0.00 -0.96 0.00 0.00 56.93 57.11 1ily s PHE 86 Cb -0.26 -3.91 0.30 0.00 -0.34 0.00 0.00 43.02 38.82 1ily s PHE 86 CO -0.01 -0.94 1.18 -0.25 -1.46 0.00 0.00 175.22 173.74 1ily n ASP 87 N 7.14 -0.00 -0.32 6.13 9.92 -1.15 -4.95 116.55 133.31 1ily n ASP 87 Ca 0.11 -2.05 0.23 0.00 -0.53 0.00 0.00 54.79 52.55 1ily n ASP 87 Cb 0.48 0.05 0.45 0.00 -0.64 0.00 0.00 41.12 41.45 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1ily h ARG 88 N 0.97 0.19 0.00 -1.24 -0.00 -1.87 -3.47 114.38 108.96 1ily h ARG 88 Ca -0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 1ily h ARG 88 Cb 1.52 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.44 1ily h ARG 88 CO -0.06 0.12 0.00 0.41 -0.00 0.00 0.00 179.97 180.44 1ily n GLY 89 N -1.32 -0.31 2.11 0.08 0.00 -1.26 -4.85 105.19 99.64 1ily n GLY 89 Ca 0.30 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1ily n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ily n PRO 90 N 0.00 2.25 -2.90 1.61 -0.04 -1.26 -4.86 135.00 129.80 1ily n PRO 90 Ca 0.00 -2.54 -0.44 0.00 -0.04 0.00 0.00 63.50 60.48 1ily n PRO 90 Cb 0.00 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ily s TYR 91 N -2.92 3.25 0.16 0.54 1.51 -1.26 -5.00 117.35 113.63 1ily s TYR 91 Ca 0.50 -1.72 -0.30 0.00 -1.01 0.00 0.00 57.07 54.53 1ily s TYR 91 Cb 0.40 -4.34 -0.08 0.00 -0.11 0.00 0.00 41.96 37.83 1ily s TYR 91 CO 0.01 -1.48 1.24 -1.59 -1.11 0.00 0.00 175.55 172.62 1ily s LYS 92 N 2.37 4.44 0.00 -0.62 -2.85 -1.26 -4.42 119.74 117.39 1ily s LYS 92 Ca 0.39 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.28 1ily s LYS 92 Cb -0.03 -3.25 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 1ily s LYS 92 CO -0.04 -0.19 0.00 0.98 0.10 0.00 0.00 175.35 176.20 1ily n TYR 93 N 2.89 0.00 -3.59 1.78 9.36 -1.26 -4.81 117.16 121.53 1ily n TYR 93 Ca 0.06 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.95 1ily n TYR 93 Cb 0.44 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.10 1ily n TYR 93 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1ily s HIS 94 N -0.03 3.50 0.17 2.98 3.76 -1.26 -4.90 115.29 119.51 1ily s HIS 94 Ca 0.00 0.69 0.10 0.00 -0.15 0.00 0.00 55.06 55.71 1ily s HIS 94 Cb 0.00 -2.11 0.62 0.00 1.11 0.00 0.00 32.58 32.20 1ily s HIS 94 CO 0.00 0.43 0.71 0.41 -0.85 0.00 0.00 174.74 175.44 1ily n GLY 95 N 0.33 -0.34 0.03 -2.22 0.00 -1.26 -0.70 105.19 101.02 1ily n GLY 95 Ca -0.04 0.36 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ily n GLY 95 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ily h ARG 96 N 0.00 -0.02 -0.52 1.61 2.47 -1.94 -3.37 114.38 112.61 1ily h ARG 96 Ca 0.39 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 59.22 1ily h ARG 96 Cb 1.05 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.27 1ily h ARG 96 CO -0.33 -0.01 -0.10 0.28 0.56 0.00 0.00 179.97 180.37 1ily n VAL 97 N -3.28 -0.22 0.00 2.04 0.31 0.12 0.11 118.33 117.41 1ily n VAL 97 Ca -0.00 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.52 1ily n VAL 97 Cb 0.01 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1ily n VAL 97 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ily n LYS 98 N -4.80 0.00 -0.30 5.55 2.85 -1.08 0.81 118.16 121.19 1ily n LYS 98 Ca 0.09 0.55 -0.05 0.00 -1.05 0.00 0.00 58.31 57.85 1ily n LYS 98 Cb 0.29 -1.39 0.07 0.00 -0.65 0.00 0.00 35.03 33.35 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ily h ALA 99 N -1.76 1.06 -0.35 0.58 0.00 -1.23 -1.27 119.26 116.29 1ily h ALA 99 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ily h ALA 99 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ily h ALA 99 CO 0.00 0.57 0.14 1.25 0.00 0.00 0.00 179.25 181.20 1ily h LEU 100 N 1.15 0.48 -1.22 0.00 6.46 0.76 -2.40 115.31 120.54 1ily h LEU 100 Ca 0.29 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.81 1ily h LEU 100 Cb 0.03 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1ily h LEU 100 CO -0.05 0.51 -0.37 0.00 -0.62 0.00 0.00 178.44 177.91 1ily h ALA 101 N 0.98 1.35 -0.16 1.25 0.00 0.65 -2.42 119.26 120.92 1ily h ALA 101 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ily h ALA 101 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ily h ALA 101 CO -0.01 0.48 -0.06 0.93 0.00 0.00 0.00 179.25 180.59 1ily h GLU 102 N 0.03 0.33 -0.46 0.00 5.08 -0.99 0.58 114.58 119.16 1ily h GLU 102 Ca 0.00 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1ily h GLU 102 Cb 0.67 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 1ily h GLU 102 CO 0.05 0.63 -0.35 0.78 -1.00 0.00 0.00 179.01 179.13 1ily h GLY 103 N 0.02 -0.25 1.43 -3.84 0.00 -1.21 7.83 103.07 107.04 1ily h GLY 103 Ca 0.04 0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.75 1ily h GLY 103 CO 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 176.54 176.36 1ily h ALA 104 N 0.78 1.19 0.00 3.60 0.00 -0.63 1.23 119.26 125.43 1ily h ALA 104 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ily h ALA 104 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ily h ALA 104 CO -0.59 0.53 -1.08 -0.09 0.00 0.00 0.00 179.25 178.02 1ily h ARG 105 N 0.66 0.00 0.17 0.00 9.65 0.22 0.44 114.38 125.52 1ily h ARG 105 Ca 0.13 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.70 1ily h ARG 105 Cb 0.41 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1ily h ARG 105 CO 0.02 0.27 -1.51 1.05 2.80 0.00 0.00 179.97 182.59 1ily h GLU 106 N 0.00 0.36 -0.12 0.20 4.11 1.68 -3.35 114.58 117.46 1ily h GLU 106 Ca -0.09 -0.61 -0.02 0.00 0.07 0.00 0.00 59.36 58.71 1ily h GLU 106 Cb 1.40 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 1ily h GLU 106 CO 0.04 1.26 -0.01 0.78 0.07 0.00 0.00 179.01 181.15 1ily h GLY 107 N 1.08 0.23 0.00 1.06 0.00 0.14 -3.47 103.07 102.12 1ily h GLY 107 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ily h GLY 107 CO 0.20 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.52 1ily n GLY 108 N -0.21 0.07 3.77 4.60 0.00 -1.11 -4.74 105.19 107.58 1ily n GLY 108 Ca -0.06 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ily n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ily s LEU 109 N 0.00 4.24 -0.33 0.99 1.02 0.15 -4.61 118.68 120.14 1ily s LEU 109 Ca 0.00 2.31 0.01 0.00 0.02 0.00 0.00 54.13 56.47 1ily s LEU 109 Cb 0.00 -3.98 0.10 0.00 0.02 0.00 0.00 46.19 42.33 1ily s LEU 109 CO 0.00 -0.58 0.09 -1.61 0.02 0.00 0.00 176.35 174.27 1ily s GLU 110 N -2.21 1.01 0.00 1.70 8.01 0.37 -3.38 118.70 124.21 1ily s GLU 110 Ca 0.55 -1.41 0.00 0.00 0.01 0.00 0.00 54.97 54.13 1ily s GLU 110 Cb -0.30 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 1ily s GLU 110 CO 0.38 -0.98 0.25 1.97 0.01 0.00 0.00 175.26 176.89