#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 2.06 -0.21 2.89 1.02 -1.26 0.91 118.68 124.09 1ily s LEU 23 Ca 0.00 -0.52 -0.07 0.00 0.02 0.00 0.00 54.13 53.56 1ily s LEU 23 Cb 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 46.19 44.82 1ily s LEU 23 CO 0.00 0.21 0.06 -0.60 0.02 0.00 0.00 176.35 176.04 1ily s ARG 24 N 0.02 3.79 0.11 1.70 3.52 0.17 0.36 118.95 128.62 1ily s ARG 24 Ca -0.09 -0.43 -0.17 0.00 -0.13 0.00 0.00 55.73 54.92 1ily s ARG 24 Cb -0.15 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 1ily s ARG 24 CO 0.05 0.05 0.56 -1.17 -0.81 0.00 0.00 175.30 173.98 1ily s LEU 25 N 0.96 4.44 -0.04 -0.88 0.20 0.11 -1.18 118.68 122.30 1ily s LEU 25 Ca 0.03 1.18 -0.02 0.00 0.69 0.00 0.00 54.13 56.01 1ily s LEU 25 Cb -0.14 -3.07 0.02 0.00 -0.43 0.00 0.00 46.19 42.57 1ily s LEU 25 CO 0.03 0.19 0.09 -0.44 -0.29 0.00 0.00 176.35 175.93 1ily s SER 26 N -1.39 -0.06 -0.06 3.68 0.01 -0.44 -2.83 113.70 112.60 1ily s SER 26 Ca 0.33 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.83 1ily s SER 26 Cb -0.17 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 1ily s SER 26 CO 0.19 -0.09 -0.25 0.54 0.41 0.00 0.00 173.24 174.05 1ily s VAL 27 N 0.61 2.09 -0.07 3.43 0.11 -1.26 0.94 120.40 126.25 1ily s VAL 27 Ca -0.05 -1.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.00 1ily s VAL 27 Cb -0.07 -1.76 -0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1ily s VAL 27 CO -0.02 0.57 -0.21 0.12 -3.33 0.00 0.00 175.10 172.23 1ily s PHE 28 N -0.10 2.14 -0.07 1.54 5.36 0.16 -4.91 117.98 122.11 1ily s PHE 28 Ca -0.06 -0.76 -0.02 0.00 -0.96 0.00 0.00 56.93 55.13 1ily s PHE 28 Cb -0.14 -1.45 0.03 0.00 -0.34 0.00 0.00 43.02 41.12 1ily s PHE 28 CO 0.04 -0.29 0.03 1.03 -1.46 0.00 0.00 175.22 174.57 1ily s ARG 29 N 0.22 0.33 -0.10 10.12 1.81 -1.26 0.32 118.95 130.40 1ily s ARG 29 Ca -0.12 0.16 -0.06 0.00 -1.72 0.00 0.00 55.73 54.00 1ily s ARG 29 Cb -0.15 -0.93 -0.27 0.00 -0.45 0.00 0.00 34.95 33.15 1ily s ARG 29 CO 0.05 -0.35 0.46 0.77 -0.68 0.00 0.00 175.30 175.55 1ily h SER 30 N 8.37 0.41 0.00 0.23 0.02 -1.99 -3.49 113.55 117.10 1ily h SER 30 Ca -0.16 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 1ily h SER 30 Cb 1.12 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1ily h SER 30 CO 0.23 1.76 0.00 -0.11 -1.14 0.00 0.00 176.83 177.56 1ily n LEU 31 N -3.46 -0.02 -0.05 5.07 0.00 -1.26 -4.93 117.00 112.34 1ily n LEU 31 Ca -0.29 0.43 0.01 0.00 0.00 0.00 0.00 56.01 56.16 1ily n LEU 31 Cb 1.05 0.45 0.01 0.00 0.00 0.00 0.00 43.42 44.93 1ily n LEU 31 CO 0.45 0.00 0.36 1.17 0.00 0.00 0.00 177.39 179.37 1ily n LYS 32 N -2.86 0.64 -4.22 1.96 4.81 -1.26 -5.03 118.16 112.21 1ily n LYS 32 Ca 0.00 -0.95 -0.26 0.00 -0.87 0.00 0.00 58.31 56.22 1ily n LYS 32 Cb 0.00 -1.02 -0.08 0.00 0.02 0.00 0.00 35.03 33.95 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 -0.45 2.82 -0.05 5.64 3.76 -1.26 -4.92 115.29 120.83 1ily s HIS 33 Ca 0.02 -0.15 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1ily s HIS 33 Cb 0.01 -1.36 0.04 0.00 1.11 0.00 0.00 32.58 32.38 1ily s HIS 33 CO 0.02 0.52 0.09 -1.50 -0.85 0.00 0.00 174.74 173.02 1ily s ILE 34 N -1.75 -0.13 -0.16 0.60 1.10 -1.26 -3.40 121.20 116.20 1ily s ILE 34 Ca 0.27 0.33 -0.04 0.00 -0.51 0.00 0.00 60.65 60.70 1ily s ILE 34 Cb -0.09 -0.18 0.06 0.00 0.15 0.00 0.00 42.46 42.39 1ily s ILE 34 CO 0.18 0.14 0.08 -0.31 -2.11 0.00 0.00 174.94 172.92 1ily s TYR 35 N 1.82 0.30 -0.27 3.50 1.51 0.15 -2.92 117.35 121.44 1ily s TYR 35 Ca -0.01 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.60 1ily s TYR 35 Cb -0.12 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1ily s TYR 35 CO -0.04 -0.50 0.18 0.00 -1.11 0.00 0.00 175.55 174.08 1ily s ALA 36 N 2.10 3.54 -0.30 3.71 0.00 -0.25 0.39 121.76 130.96 1ily s ALA 36 Ca 0.02 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1ily s ALA 36 Cb -0.16 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.56 1ily s ALA 36 CO -0.08 -0.45 0.06 -1.14 0.00 0.00 0.00 175.76 174.15 1ily s GLN 37 N 1.55 2.90 -0.56 0.00 0.74 0.27 -1.97 119.66 122.58 1ily s GLN 37 Ca 0.07 -0.98 -0.19 0.00 0.05 0.00 0.00 55.36 54.32 1ily s GLN 37 Cb -0.15 -3.31 0.09 0.00 1.10 0.00 0.00 33.01 30.74 1ily s GLN 37 CO 0.09 -0.50 0.67 0.42 -0.55 0.00 0.00 175.29 175.42 1ily s ILE 38 N 1.43 4.85 0.32 -2.34 -1.09 0.13 -1.32 121.20 123.18 1ily s ILE 38 Ca 0.01 -0.86 0.07 0.00 -2.23 0.00 0.00 60.65 57.64 1ily s ILE 38 Cb -0.18 -4.43 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1ily s ILE 38 CO 0.01 -1.02 0.31 -0.63 -1.23 0.00 0.00 174.94 172.38 1ily s ILE 39 N 2.63 3.85 -0.36 2.92 1.09 -0.32 -1.76 121.20 129.24 1ily s ILE 39 Ca 0.12 -1.30 -0.18 0.00 -1.10 0.00 0.00 60.65 58.20 1ily s ILE 39 Cb -0.23 -3.29 0.00 0.00 -1.06 0.00 0.00 42.46 37.88 1ily s ILE 39 CO 0.08 -0.21 0.49 -0.62 -0.10 0.00 0.00 174.94 174.58 1ily s ASP 40 N -4.00 6.28 -0.20 3.58 -1.08 0.26 0.46 116.67 121.97 1ily s ASP 40 Ca 0.40 -0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.31 1ily s ASP 40 Cb -0.07 -2.26 0.42 0.00 -1.46 0.00 0.00 42.92 39.56 1ily s ASP 40 CO 0.27 -0.49 1.39 -0.67 0.52 0.00 0.00 175.17 176.18 1ily n ASP 41 N 5.71 3.56 -0.07 -0.34 2.03 0.26 -2.54 116.55 125.16 1ily n ASP 41 Ca -0.05 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.36 1ily n ASP 41 Cb 0.49 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 40.18 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ily n GLU 42 N -0.08 0.31 -3.76 -0.67 2.13 -0.98 -4.19 120.64 113.41 1ily n GLU 42 Ca 0.26 0.12 -0.24 0.00 0.66 0.00 0.00 57.16 57.97 1ily n GLU 42 Cb 1.00 -1.06 -0.17 0.00 0.27 0.00 0.00 31.44 31.48 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 -2.27 0.58 -0.97 5.31 1.02 -1.24 -4.98 119.74 117.19 1ily s LYS 43 Ca -0.20 0.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1ily s LYS 43 Cb 0.07 -1.17 -0.31 0.00 -0.52 0.00 0.00 37.83 35.90 1ily s LYS 43 CO 0.27 -0.37 2.17 0.41 -0.92 0.00 0.00 175.35 176.90 1ily n GLY 44 N 5.14 -0.46 2.67 -3.33 0.00 -1.21 -4.49 105.19 103.52 1ily n GLY 44 Ca -0.07 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 1.72 0.14 -0.31 1.61 1.01 -1.05 -4.95 120.40 118.58 1ily s VAL 45 Ca 1.26 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 1ily s VAL 45 Cb -0.76 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1ily s VAL 45 CO 0.51 -0.14 1.32 -0.89 0.00 0.00 0.00 175.10 175.91 1ily s THR 46 N 2.04 4.10 -0.14 3.92 2.01 -1.26 0.91 115.64 127.22 1ily s THR 46 Ca 0.02 1.23 -0.11 0.00 0.31 0.00 0.00 61.69 63.14 1ily s THR 46 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1ily s THR 46 CO -0.07 -0.50 -0.21 0.18 -0.69 0.00 0.00 174.62 173.33 1ily n LEU 47 N 7.77 1.69 -4.26 4.42 4.32 -0.72 -4.95 117.00 125.26 1ily n LEU 47 Ca 0.15 0.51 -0.24 0.00 -0.02 0.00 0.00 56.01 56.41 1ily n LEU 47 Cb 0.47 -0.80 -0.13 0.00 -1.62 0.00 0.00 43.42 41.33 1ily n LEU 47 CO 0.64 -0.42 -0.52 -0.69 -1.22 0.00 0.00 177.39 175.18 1ily s VAL 48 N -2.32 1.65 -0.21 4.08 1.01 -0.93 -5.02 120.40 118.67 1ily s VAL 48 Ca -0.17 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 1ily s VAL 48 Cb 0.02 -1.47 0.10 0.00 0.00 0.00 0.00 36.38 35.04 1ily s VAL 48 CO 0.26 0.07 0.36 -0.94 0.00 0.00 0.00 175.10 174.85 1ily s SER 49 N -1.50 0.20 0.13 3.32 1.04 -1.26 0.23 113.70 115.85 1ily s SER 49 Ca 0.07 0.49 0.08 0.00 0.48 0.00 0.00 55.95 57.07 1ily s SER 49 Cb -0.09 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.04 1ily s SER 49 CO 0.03 -0.27 -0.20 0.00 0.98 0.00 0.00 173.24 173.78 1ily s ALA 50 N 2.53 1.90 -0.16 5.32 0.00 -0.83 -4.99 121.76 125.52 1ily s ALA 50 Ca 0.06 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 1ily s ALA 50 Cb -0.14 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1ily s ALA 50 CO -0.13 0.32 0.37 -1.54 0.00 0.00 0.00 175.76 174.78 1ily s SER 51 N -2.19 -0.33 0.59 0.00 1.04 -1.26 -1.09 113.70 110.47 1ily s SER 51 Ca 0.10 0.81 0.29 0.00 0.48 0.00 0.00 55.95 57.63 1ily s SER 51 Cb -0.08 0.80 1.50 0.00 0.10 0.00 0.00 66.02 68.34 1ily s SER 51 CO 0.05 -0.20 1.93 0.28 0.98 0.00 0.00 173.24 176.28 1ily h SER 52 N 7.45 0.00 0.18 7.02 0.02 -1.90 -1.29 113.55 125.03 1ily h SER 52 Ca -0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1ily h SER 52 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ily h SER 52 CO 0.26 0.00 -0.09 0.25 -1.14 0.00 0.00 176.83 176.11 1ily h LEU 53 N 0.00 -0.21 -2.05 5.07 7.12 -1.91 -1.36 115.31 121.97 1ily h LEU 53 Ca 0.19 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1ily h LEU 53 Cb 1.06 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1ily h LEU 53 CO -0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 178.44 178.32 1ily h ALA 54 N 0.34 1.90 -0.42 1.25 0.00 -1.60 0.14 119.26 120.87 1ily h ALA 54 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ily h ALA 54 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ily h ALA 54 CO 0.04 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1ily n LEU 55 N -4.41 2.36 -0.29 0.00 4.32 -1.02 -4.94 117.00 113.02 1ily n LEU 55 Ca -0.03 -1.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 1ily n LEU 55 Cb 0.10 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1ily n LEU 55 CO 0.33 0.56 0.00 0.29 -1.22 0.00 0.00 177.39 177.35 1ily n LYS 56 N 0.73 -0.06 -1.98 3.23 5.02 0.47 -4.80 118.16 120.77 1ily n LYS 56 Ca 0.14 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 1ily n LYS 56 Cb 0.38 0.05 0.16 0.00 -0.02 0.00 0.00 35.03 35.61 1ily n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ily s LEU 57 N -0.34 2.70 -1.36 -0.35 1.43 -1.25 -4.95 118.68 114.54 1ily s LEU 57 Ca 0.00 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1ily s LEU 57 Cb 0.00 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.83 1ily s LEU 57 CO 0.00 -2.48 2.11 0.29 0.23 0.00 0.00 176.35 176.51 1ily n LYS 58 N -3.59 3.50 0.00 1.70 4.76 -1.26 -4.88 118.16 118.39 1ily n LYS 58 Ca 0.14 -3.15 0.00 0.00 -2.87 0.00 0.00 58.31 52.43 1ily n LYS 58 Cb 0.60 -2.99 0.00 0.00 -1.84 0.00 0.00 35.03 30.79 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ily n GLY 59 N 3.12 6.40 1.00 0.72 0.00 -1.26 -5.00 105.19 110.17 1ily n GLY 59 Ca 0.48 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 4.05 -1.26 -5.02 115.26 114.64 1ily n ASN 60 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1ily n ASN 60 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ily n ASN 60 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1ily n LYS 61 N -1.91 0.00 -0.37 1.20 2.85 -1.26 -4.90 118.16 113.76 1ily n LYS 61 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 1ily n LYS 61 Cb 0.00 0.00 0.21 0.00 -0.65 0.00 0.00 35.03 34.59 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 -1.85 1.08 -0.01 0.58 -2.24 -1.26 -3.58 114.28 107.00 1ily n THR 62 Ca 0.00 -0.70 -0.22 0.00 -2.27 0.00 0.00 64.05 60.87 1ily n THR 62 Cb 0.00 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 1ily n THR 62 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ily h GLU 63 N 2.46 0.22 0.00 -0.78 4.81 -1.94 -3.39 114.58 115.96 1ily h GLU 63 Ca 0.00 -0.38 -0.21 0.00 -0.13 0.00 0.00 59.36 58.64 1ily h GLU 63 Cb 0.96 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1ily h GLU 63 CO 0.14 1.18 -1.78 0.28 -0.73 0.00 0.00 179.01 178.10 1ily n VAL 64 N -3.85 1.10 -0.21 0.32 0.31 -1.26 -4.40 118.33 110.34 1ily n VAL 64 Ca -0.28 -0.72 0.19 0.00 -0.01 0.00 0.00 64.34 63.53 1ily n VAL 64 Cb 0.92 -0.58 0.36 0.00 -0.91 0.00 0.00 33.84 33.62 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 -2.48 0.62 0.35 3.52 0.00 -1.24 0.18 120.51 121.46 1ily n ALA 65 Ca -0.15 0.66 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 1ily n ALA 65 Cb 0.90 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.89 -0.84 0.00 2.43 -1.73 0.42 114.38 113.77 1ily h ARG 66 Ca 0.53 0.06 0.24 0.00 -0.81 0.00 0.00 59.98 60.00 1ily h ARG 66 Cb 1.37 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 31.09 1ily h ARG 66 CO -0.51 -0.59 0.77 1.96 -1.51 0.00 0.00 179.97 180.09 1ily h GLN 67 N -1.25 0.00 0.05 0.20 4.20 0.16 2.18 115.11 120.65 1ily h GLN 67 Ca -0.09 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 1ily h GLN 67 Cb 0.71 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.50 1ily h GLN 67 CO 0.16 0.00 -1.05 -0.24 -0.67 0.00 0.00 178.83 177.02 1ily h VAL 68 N 0.00 1.40 0.00 -0.54 3.04 0.72 -2.48 116.25 118.39 1ily h VAL 68 Ca 0.40 -2.58 -0.14 0.00 -1.01 0.00 0.00 66.70 63.37 1ily h VAL 68 Cb 1.94 2.57 -0.02 0.00 -2.01 0.00 0.00 31.29 33.77 1ily h VAL 68 CO -0.00 0.77 -0.68 1.23 -1.01 0.00 0.00 177.57 177.87 1ily h GLY 69 N 1.17 0.00 1.46 3.17 0.00 0.55 0.21 103.07 109.63 1ily h GLY 69 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1ily h GLY 69 CO 0.18 0.00 -0.40 0.07 0.00 0.00 0.00 176.54 176.39 1ily h ARG 70 N 0.00 0.59 -0.10 4.80 -0.00 0.29 1.01 114.38 120.97 1ily h ARG 70 Ca -0.01 -0.30 -0.22 0.00 -0.00 0.00 0.00 59.98 59.45 1ily h ARG 70 Cb 1.22 0.01 0.01 0.00 -0.00 0.00 0.00 29.97 31.21 1ily h ARG 70 CO 0.09 0.89 -0.81 0.00 -0.00 0.00 0.00 179.97 180.14 1ily h ALA 71 N 1.07 0.38 -0.43 0.08 0.00 -1.25 0.61 119.26 119.73 1ily h ALA 71 Ca 0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1ily h ALA 71 Cb 0.91 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ily h ALA 71 CO 0.08 0.72 0.06 -0.07 0.00 0.00 0.00 179.25 180.04 1ily h LEU 72 N 0.42 0.69 -0.41 0.00 3.38 -0.22 0.47 115.31 119.64 1ily h LEU 72 Ca -0.06 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.47 1ily h LEU 72 Cb 1.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1ily h LEU 72 CO 0.16 0.79 -0.80 0.00 0.09 0.00 0.00 178.44 178.68 1ily h ALA 73 N 0.93 0.67 0.00 1.53 0.00 0.10 0.49 119.26 122.97 1ily h ALA 73 Ca 0.13 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1ily h ALA 73 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ily h ALA 73 CO 0.01 0.94 -0.66 0.93 0.00 0.00 0.00 179.25 180.47 1ily h GLU 74 N 0.04 0.00 0.04 0.00 5.08 0.47 -0.85 114.58 119.36 1ily h GLU 74 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ily h GLU 74 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ily h GLU 74 CO 0.11 0.66 -0.02 0.87 -1.00 0.00 0.00 179.01 179.63 1ily h LYS 75 N 0.00 -0.06 -0.98 2.33 1.57 0.17 -2.99 116.57 116.61 1ily h LYS 75 Ca -0.01 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.07 1ily h LYS 75 Cb 1.29 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 1ily h LYS 75 CO 0.09 -0.04 0.51 0.00 -0.57 0.00 0.00 179.45 179.44 1ily h ALA 76 N -1.80 1.80 -0.93 3.86 0.00 -0.13 1.13 119.26 123.19 1ily h ALA 76 Ca -0.01 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1ily h ALA 76 Cb 0.04 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1ily h ALA 76 CO 0.01 -0.51 0.61 -0.07 0.00 0.00 0.00 179.25 179.29 1ily h LEU 77 N 0.34 0.96 -2.12 0.00 3.38 -1.26 0.12 115.31 116.73 1ily h LEU 77 Ca 0.69 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.70 1ily h LEU 77 Cb 1.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1ily h LEU 77 CO -0.60 0.63 0.31 0.00 0.09 0.00 0.00 178.44 178.87 1ily h ALA 78 N 1.48 1.63 0.00 1.53 0.00 0.15 0.97 119.26 125.03 1ily h ALA 78 Ca 0.39 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.09 1ily h ALA 78 Cb 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1ily h ALA 78 CO -0.14 -0.39 -1.47 -0.07 0.00 0.00 0.00 179.25 177.18 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.96 -3.48 115.31 114.25 1ily h LEU 79 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ily h LEU 79 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 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 1.44 1.35 3.57 0.83 0.00 0.34 -5.05 105.19 107.67 1ily n GLY 80 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 3.76 -0.17 -0.61 1.09 -0.96 -4.84 121.20 117.48 1ily s ILE 81 Ca 0.00 0.61 -0.13 0.00 -1.10 0.00 0.00 60.65 60.02 1ily s ILE 81 Cb 0.00 -4.53 -0.08 0.00 -1.06 0.00 0.00 42.46 36.80 1ily s ILE 81 CO 0.00 -1.30 -0.10 1.17 -0.10 0.00 0.00 174.94 174.60 1ily n LYS 82 N 8.82 0.50 -4.32 2.79 4.81 -1.26 -4.24 118.16 125.25 1ily n LYS 82 Ca 0.11 0.50 -0.31 0.00 -0.87 0.00 0.00 58.31 57.73 1ily n LYS 82 Cb 0.49 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.77 1ily n LYS 82 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ily s GLN 83 N -2.35 2.47 0.22 1.64 -0.21 -1.26 0.17 119.66 120.34 1ily s GLN 83 Ca -0.21 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.38 1ily s GLN 83 Cb 0.04 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 1ily s GLN 83 CO 0.35 0.57 0.04 0.08 -2.12 0.00 0.00 175.29 174.21 1ily s VAL 84 N -1.13 0.68 -0.47 1.09 1.01 -0.17 -4.37 120.40 117.04 1ily s VAL 84 Ca 0.20 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.05 1ily s VAL 84 Cb -0.11 -2.39 0.09 0.00 0.00 0.00 0.00 36.38 33.96 1ily s VAL 84 CO 0.12 -0.23 0.38 0.00 0.00 0.00 0.00 175.10 175.36 1ily s ALA 85 N -3.67 3.50 -0.46 5.51 0.00 0.16 -4.23 121.76 122.57 1ily s ALA 85 Ca 0.31 -2.24 -0.28 0.00 0.00 0.00 0.00 51.96 49.75 1ily s ALA 85 Cb 0.07 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1ily s ALA 85 CO 0.09 -1.78 1.10 0.12 0.00 0.00 0.00 175.76 175.30 1ily s PHE 86 N 1.56 2.86 -0.23 0.00 5.36 -1.26 -0.71 117.98 125.55 1ily s PHE 86 Ca 0.04 0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 1ily s PHE 86 Cb -0.25 -4.31 0.10 0.00 -0.34 0.00 0.00 43.02 38.22 1ily s PHE 86 CO 0.04 -1.21 0.23 -0.51 -1.46 0.00 0.00 175.22 172.31 1ily s ASP 87 N 2.37 1.71 -0.11 6.13 1.01 -1.13 -5.01 116.67 121.65 1ily s ASP 87 Ca 0.46 -0.49 0.06 0.00 0.71 0.00 0.00 52.55 53.30 1ily s ASP 87 Cb -0.08 0.32 -0.24 0.00 1.01 0.00 0.00 42.92 43.93 1ily s ASP 87 CO 0.30 -0.36 0.42 -2.11 0.21 0.00 0.00 175.17 173.63 1ily n ARG 88 N 5.31 0.68 0.00 8.23 0.00 -1.26 -4.53 116.66 125.08 1ily n ARG 88 Ca -0.05 0.23 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1ily n ARG 88 Cb 0.48 -1.71 0.00 0.00 -0.00 0.00 0.00 32.46 31.23 1ily n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ily n GLY 89 N 1.78 1.14 1.71 2.89 0.00 -1.26 -4.61 105.19 106.84 1ily n GLY 89 Ca -0.26 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 1.71 -3.99 1.61 -0.04 -1.26 -4.92 135.00 128.11 1ily n PRO 90 Ca 0.00 -1.59 -0.28 0.00 -0.04 0.00 0.00 63.50 61.59 1ily n PRO 90 Cb 0.00 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.78 3.37 0.05 0.54 1.51 -1.26 -5.12 117.35 114.66 1ily s TYR 91 Ca 0.31 0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1ily s TYR 91 Cb 0.25 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 1ily s TYR 91 CO 0.04 0.54 -0.12 0.21 -1.11 0.00 0.00 175.55 175.11 1ily s LYS 92 N -2.87 0.74 -0.42 -0.62 2.20 -1.26 -4.98 119.74 112.53 1ily s LYS 92 Ca 0.33 -0.84 -0.41 0.00 -0.36 0.00 0.00 55.97 54.69 1ily s LYS 92 Cb -0.12 -0.68 -0.16 0.00 -1.51 0.00 0.00 37.83 35.36 1ily s LYS 92 CO 0.26 0.15 2.08 0.98 -0.36 0.00 0.00 175.35 178.46 1ily n TYR 93 N 1.50 1.46 0.00 4.03 9.36 -1.26 -4.84 117.16 127.41 1ily n TYR 93 Ca -0.21 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1ily n TYR 93 Cb 0.54 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 1ily n TYR 93 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ily n HIS 94 N 7.85 0.00 0.00 2.98 -0.00 -1.26 -5.08 115.22 119.71 1ily n HIS 94 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 1ily n HIS 94 Cb 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 1ily n HIS 94 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ily n GLY 95 N 4.00 0.76 0.00 1.57 0.00 -1.26 -4.78 105.19 105.47 1ily n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ily n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ily n ARG 96 N -0.73 0.00 -0.51 1.61 5.12 -1.26 -4.03 116.66 116.87 1ily n ARG 96 Ca 0.00 0.28 0.40 0.00 -1.93 0.00 0.00 57.85 56.59 1ily n ARG 96 Cb 0.00 -0.76 0.63 0.00 -1.16 0.00 0.00 32.46 31.16 1ily n ARG 96 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ily n VAL 97 N -2.10 -0.08 0.00 1.55 0.31 -1.26 -1.32 118.33 115.43 1ily n VAL 97 Ca 0.00 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 1ily n VAL 97 Cb 0.00 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 30.77 1ily n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ily n LYS 98 N -3.85 0.00 -0.33 5.55 4.01 -1.26 0.63 118.16 122.91 1ily n LYS 98 Ca 0.35 0.00 0.23 0.00 -0.51 0.00 0.00 58.31 58.38 1ily n LYS 98 Cb 1.51 -0.78 0.46 0.00 -0.51 0.00 0.00 35.03 35.70 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ily h ALA 99 N -2.00 1.86 -0.22 7.82 0.00 -1.53 0.57 119.26 125.76 1ily h ALA 99 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ily h ALA 99 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ily h ALA 99 CO 0.00 -0.60 -0.07 1.25 0.00 0.00 0.00 179.25 179.83 1ily h LEU 100 N 0.27 0.44 -1.76 0.00 6.46 -1.23 -1.51 115.31 117.98 1ily h LEU 100 Ca 0.72 -0.38 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1ily h LEU 100 Cb 1.64 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.44 1ily h LEU 100 CO -0.64 0.72 -0.06 0.00 -0.62 0.00 0.00 178.44 177.85 1ily h ALA 101 N 0.73 1.80 -0.04 1.25 0.00 0.52 0.70 119.26 124.23 1ily h ALA 101 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ily h ALA 101 Cb 0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ily h ALA 101 CO 0.03 0.15 -0.04 0.93 0.00 0.00 0.00 179.25 180.32 1ily h GLU 102 N 0.08 0.09 -0.56 0.00 5.08 -0.42 0.50 114.58 119.35 1ily h GLU 102 Ca 0.02 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1ily h GLU 102 Cb 0.16 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 1ily h GLU 102 CO 0.01 0.56 -0.38 0.78 -1.00 0.00 0.00 179.01 178.98 1ily h GLY 103 N -0.37 -0.28 1.04 -3.84 0.00 -0.21 7.89 103.07 107.30 1ily h GLY 103 Ca 0.01 0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 1ily h GLY 103 CO 0.01 -0.19 0.39 0.00 0.00 0.00 0.00 176.54 176.75 1ily h ALA 104 N 0.80 1.08 0.10 3.60 0.00 0.79 0.60 119.26 126.23 1ily h ALA 104 Ca 0.20 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1ily h ALA 104 Cb 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ily h ALA 104 CO -0.67 0.65 -1.11 -0.09 0.00 0.00 0.00 179.25 178.04 1ily h ARG 105 N 1.19 0.22 -0.69 0.00 9.65 0.18 0.42 114.38 125.36 1ily h ARG 105 Ca 0.29 -0.37 0.09 0.00 -1.10 0.00 0.00 59.98 58.89 1ily h ARG 105 Cb 0.13 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1ily h ARG 105 CO -0.03 1.18 0.45 1.05 2.80 0.00 0.00 179.97 185.42 1ily h GLU 106 N -0.45 0.58 -0.02 0.20 4.11 1.67 -2.37 114.58 118.31 1ily h GLU 106 Ca -0.24 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 1ily h GLU 106 Cb 1.62 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1ily h GLU 106 CO 0.06 0.38 -0.07 0.78 0.07 0.00 0.00 179.01 180.22 1ily h GLY 107 N 0.59 0.08 0.00 1.06 0.00 0.15 -3.48 103.07 101.47 1ily h GLY 107 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1ily h GLY 107 CO -0.10 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ily n GLY 108 N 0.71 0.00 3.77 4.60 0.00 -0.89 -4.76 105.19 108.63 1ily n GLY 108 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.02 4.00 -0.43 0.99 1.02 0.14 -4.65 118.68 119.73 1ily s LEU 109 Ca 0.00 2.22 0.02 0.00 0.02 0.00 0.00 54.13 56.39 1ily s LEU 109 Cb 0.00 -4.28 0.13 0.00 0.02 0.00 0.00 46.19 42.06 1ily s LEU 109 CO 0.00 -0.85 0.21 -1.61 0.02 0.00 0.00 176.35 174.12 1ily s GLU 110 N -2.74 1.33 0.00 1.70 8.01 0.46 -3.48 118.70 123.97 1ily s GLU 110 Ca 0.63 -1.97 0.01 0.00 0.01 0.00 0.00 54.97 53.65 1ily s GLU 110 Cb -0.26 -2.48 0.01 0.00 -4.31 0.00 0.00 34.13 27.08 1ily s GLU 110 CO 0.32 -1.12 0.52 1.97 0.01 0.00 0.00 175.26 176.96