#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 3.81 -0.23 6.15 1.43 -1.26 0.37 118.68 128.95 1ily s LEU 23 Ca 0.00 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1ily s LEU 23 Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1ily s LEU 23 CO 0.00 0.26 0.14 -0.60 0.23 0.00 0.00 176.35 176.37 1ily s ARG 24 N -0.14 4.00 0.11 1.70 3.52 0.17 0.26 118.95 128.57 1ily s ARG 24 Ca 0.07 -0.31 -0.18 0.00 -0.13 0.00 0.00 55.73 55.18 1ily s ARG 24 Cb -0.12 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.73 1ily s ARG 24 CO 0.01 0.06 0.58 -1.17 -0.81 0.00 0.00 175.30 173.97 1ily s LEU 25 N 1.04 4.46 -0.21 -0.88 0.20 0.16 -0.85 118.68 122.61 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 -0.14 -3.07 0.08 0.00 -0.43 0.00 0.00 46.19 42.64 1ily s LEU 25 CO 0.04 0.20 0.15 -0.44 -0.29 0.00 0.00 176.35 176.02 1ily s SER 26 N -1.33 2.13 -0.32 3.68 0.01 0.12 -2.42 113.70 115.56 1ily s SER 26 Ca 0.33 -0.58 -0.16 0.00 1.31 0.00 0.00 55.95 56.85 1ily s SER 26 Cb -0.18 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1ily s SER 26 CO 0.19 -0.36 0.42 0.54 0.41 0.00 0.00 173.24 174.44 1ily s VAL 27 N 2.21 5.12 -0.07 3.43 0.11 -1.26 0.61 120.40 130.55 1ily s VAL 27 Ca 0.05 0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 59.24 1ily s VAL 27 Cb -0.16 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.81 1ily s VAL 27 CO -0.16 -0.06 0.40 0.12 -3.33 0.00 0.00 175.10 172.07 1ily s PHE 28 N 2.16 3.61 -0.17 1.54 5.36 0.18 -4.85 117.98 125.80 1ily s PHE 28 Ca 0.15 0.87 0.01 0.00 -0.96 0.00 0.00 56.93 57.00 1ily s PHE 28 Cb -0.16 -2.37 0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1ily s PHE 28 CO 0.12 0.42 -0.14 1.03 -1.46 0.00 0.00 175.22 175.19 1ily s ARG 29 N -0.25 2.36 0.00 10.12 1.81 -1.26 -2.27 118.95 129.46 1ily s ARG 29 Ca 0.23 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 1ily s ARG 29 Cb -0.15 -2.32 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1ily s ARG 29 CO 0.10 -0.30 0.00 0.45 -0.68 0.00 0.00 175.30 174.88 1ily n SER 30 N 4.70 0.00 0.19 0.23 2.88 -1.26 -5.06 113.62 115.31 1ily n SER 30 Ca -0.17 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ily n SER 30 Cb 0.49 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1ily n SER 30 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ily n LEU 31 N -1.10 -2.70 -0.04 2.46 4.77 -1.26 -4.93 117.00 114.21 1ily n LEU 31 Ca 0.00 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1ily n LEU 31 Cb 0.00 2.60 0.01 0.00 -2.33 0.00 0.00 43.42 43.69 1ily n LEU 31 CO 0.00 -0.09 0.31 2.29 -1.33 0.00 0.00 177.39 178.57 1ily n LYS 32 N -3.40 -0.16 -2.81 3.23 2.85 -1.26 -5.04 118.16 111.56 1ily n LYS 32 Ca 0.00 -0.74 -0.21 0.00 -1.05 0.00 0.00 58.31 56.32 1ily n LYS 32 Cb 0.00 -1.02 0.06 0.00 -0.65 0.00 0.00 35.03 33.42 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1ily s HIS 33 N -0.25 2.08 -0.23 5.58 3.76 -1.26 -4.87 115.29 120.11 1ily s HIS 33 Ca 0.01 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1ily s HIS 33 Cb 0.01 -2.59 0.12 0.00 1.11 0.00 0.00 32.58 31.23 1ily s HIS 33 CO 0.01 -1.10 0.36 -1.50 -0.85 0.00 0.00 174.74 171.66 1ily s ILE 34 N -2.76 -0.57 -0.00 0.60 1.10 -1.26 -4.36 121.20 113.95 1ily s ILE 34 Ca 0.61 -0.03 0.01 0.00 -0.51 0.00 0.00 60.65 60.73 1ily s ILE 34 Cb -0.08 -0.76 -0.00 0.00 0.15 0.00 0.00 42.46 41.77 1ily s ILE 34 CO 0.39 -0.10 -0.05 -0.31 -2.11 0.00 0.00 174.94 172.77 1ily s TYR 35 N 2.52 0.42 -0.08 3.50 1.51 -0.96 -2.69 117.35 121.56 1ily s TYR 35 Ca 0.10 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1ily s TYR 35 Cb -0.15 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1ily s TYR 35 CO -0.15 -0.01 -0.12 0.00 -1.11 0.00 0.00 175.55 174.16 1ily s ALA 36 N -0.19 1.31 -0.27 3.71 0.00 -0.28 0.47 121.76 126.51 1ily s ALA 36 Ca 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1ily s ALA 36 Cb -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1ily s ALA 36 CO -0.00 0.01 -0.03 -1.14 0.00 0.00 0.00 175.76 174.60 1ily s GLN 37 N 0.86 2.79 -0.70 0.00 2.00 0.20 -1.77 119.66 123.04 1ily s GLN 37 Ca -0.11 -1.02 -0.16 0.00 -2.00 0.00 0.00 55.36 52.07 1ily s GLN 37 Cb -0.15 -3.09 0.16 0.00 0.80 0.00 0.00 33.01 30.73 1ily s GLN 37 CO 0.01 -0.45 0.70 0.42 -0.50 0.00 0.00 175.29 175.46 1ily s ILE 38 N 1.34 5.26 0.39 -2.34 -1.09 0.15 0.13 121.20 125.03 1ily s ILE 38 Ca -0.01 -1.81 0.03 0.00 -2.23 0.00 0.00 60.65 56.63 1ily s ILE 38 Cb -0.17 -4.46 -0.01 0.00 -1.58 0.00 0.00 42.46 36.24 1ily s ILE 38 CO -0.03 -1.03 0.58 -0.63 -1.23 0.00 0.00 174.94 172.60 1ily s ILE 39 N 1.31 4.23 -0.35 2.92 1.09 -0.03 -1.67 121.20 128.69 1ily s ILE 39 Ca 0.13 -0.68 -0.17 0.00 -1.10 0.00 0.00 60.65 58.83 1ily s ILE 39 Cb -0.19 -3.53 -0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1ily s ILE 39 CO -0.02 -0.31 0.45 -0.62 -0.10 0.00 0.00 174.94 174.34 1ily s ASP 40 N -4.17 6.26 -0.16 3.58 -1.08 0.27 0.42 116.67 121.79 1ily s ASP 40 Ca 0.45 -0.15 0.05 0.00 -0.52 0.00 0.00 52.55 52.39 1ily s ASP 40 Cb -0.10 -2.24 0.40 0.00 -1.46 0.00 0.00 42.92 39.52 1ily s ASP 40 CO 0.35 -0.43 1.26 -0.67 0.52 0.00 0.00 175.17 176.20 1ily n ASP 41 N 5.60 3.43 -0.08 -0.34 2.03 0.16 -2.51 116.55 124.84 1ily n ASP 41 Ca -0.07 -2.60 -0.16 0.00 0.52 0.00 0.00 54.79 52.48 1ily n ASP 41 Cb 0.49 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 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 0.09 0.36 -3.77 -0.67 2.13 -1.09 -4.67 120.64 113.02 1ily n GLU 42 Ca 0.20 0.14 -0.24 0.00 0.66 0.00 0.00 57.16 57.92 1ily n GLU 42 Cb 0.87 -1.14 -0.17 0.00 0.27 0.00 0.00 31.44 31.27 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 -2.30 0.65 -0.96 5.31 3.01 -1.24 -5.05 119.74 119.16 1ily s LYS 43 Ca -0.23 0.00 -0.12 0.00 -1.01 0.00 0.00 55.97 54.61 1ily s LYS 43 Cb 0.08 -1.20 -0.30 0.00 -1.01 0.00 0.00 37.83 35.40 1ily s LYS 43 CO 0.31 -0.36 2.20 0.41 0.51 0.00 0.00 175.35 178.41 1ily n GLY 44 N 5.13 -0.43 2.63 -3.33 0.00 -1.20 -4.43 105.19 103.55 1ily n GLY 44 Ca -0.08 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 2.95 -0.05 -0.29 1.61 1.01 -1.04 -4.94 120.40 119.65 1ily s VAL 45 Ca 1.24 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 1ily s VAL 45 Cb -0.71 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1ily s VAL 45 CO 0.47 -0.16 1.51 -0.89 0.00 0.00 0.00 175.10 176.03 1ily s THR 46 N 2.13 3.83 -0.06 3.92 2.01 -1.26 0.95 115.64 127.16 1ily s THR 46 Ca 0.03 0.91 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 1ily s THR 46 Cb -0.15 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1ily s THR 46 CO -0.08 -0.43 -0.09 0.18 -0.69 0.00 0.00 174.62 173.51 1ily n LEU 47 N 8.47 0.74 -4.43 4.42 4.32 -0.67 -4.94 117.00 124.92 1ily n LEU 47 Ca 0.18 0.33 -0.30 0.00 -0.02 0.00 0.00 56.01 56.20 1ily n LEU 47 Cb 0.46 -0.64 -0.13 0.00 -1.62 0.00 0.00 43.42 41.50 1ily n LEU 47 CO 0.66 -0.47 -0.53 -0.69 -1.22 0.00 0.00 177.39 175.14 1ily s VAL 48 N -1.57 2.56 -0.20 4.08 1.01 -0.91 -5.01 120.40 120.36 1ily s VAL 48 Ca -0.07 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.35 1ily s VAL 48 Cb 0.01 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.37 1ily s VAL 48 CO 0.11 0.18 0.35 -0.94 0.00 0.00 0.00 175.10 174.80 1ily s SER 49 N -1.86 0.22 -0.02 3.32 1.04 -1.26 0.31 113.70 115.45 1ily s SER 49 Ca 0.15 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.13 1ily s SER 49 Cb -0.10 1.04 -0.01 0.00 0.10 0.00 0.00 66.02 67.04 1ily s SER 49 CO 0.07 -0.27 -0.21 0.00 0.98 0.00 0.00 173.24 173.81 1ily s ALA 50 N 2.52 1.77 -0.15 5.32 0.00 -0.73 -4.97 121.76 125.52 1ily s ALA 50 Ca 0.06 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1ily s ALA 50 Cb -0.14 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.56 1ily s ALA 50 CO -0.13 0.41 0.37 -1.54 0.00 0.00 0.00 175.76 174.87 1ily s SER 51 N -0.40 -0.44 0.46 0.00 1.04 -1.26 -1.12 113.70 111.98 1ily s SER 51 Ca 0.06 0.79 0.23 0.00 0.48 0.00 0.00 55.95 57.50 1ily s SER 51 Cb -0.09 0.70 1.24 0.00 0.10 0.00 0.00 66.02 67.97 1ily s SER 51 CO -0.00 -0.17 1.86 0.28 0.98 0.00 0.00 173.24 176.19 1ily h SER 52 N 6.73 0.26 0.63 7.02 0.02 -1.87 0.88 113.55 127.22 1ily h SER 52 Ca -0.35 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1ily h SER 52 Cb 1.18 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ily h SER 52 CO 0.30 0.09 -0.31 0.25 -1.14 0.00 0.00 176.83 176.02 1ily h LEU 53 N 0.25 -0.75 -2.53 5.07 7.12 -1.96 -0.51 115.31 122.00 1ily h LEU 53 Ca 0.46 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.51 1ily h LEU 53 Cb 1.40 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1ily h LEU 53 CO -0.12 -0.52 0.05 0.00 -0.13 0.00 0.00 178.44 177.71 1ily h ALA 54 N -1.58 1.45 -0.33 1.25 0.00 -1.74 0.33 119.26 118.65 1ily h ALA 54 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ily h ALA 54 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ily h ALA 54 CO 0.14 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1ily n LEU 55 N -3.63 2.00 -0.36 0.00 4.32 0.24 -4.93 117.00 114.64 1ily n LEU 55 Ca -0.02 -1.00 0.00 0.00 -0.02 0.00 0.00 56.01 54.97 1ily n LEU 55 Cb 0.13 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1ily n LEU 55 CO 0.25 0.45 0.00 1.17 -1.22 0.00 0.00 177.39 178.04 1ily n LYS 56 N 0.46 -0.07 -3.08 3.23 4.81 0.11 -4.79 118.16 118.83 1ily n LYS 56 Ca 0.12 -0.04 -0.19 0.00 -0.87 0.00 0.00 58.31 57.33 1ily n LYS 56 Cb 0.34 0.06 0.04 0.00 0.02 0.00 0.00 35.03 35.50 1ily n LYS 56 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1ily s LEU 57 N -0.42 3.24 -1.39 3.14 2.34 -1.24 -5.00 118.68 119.34 1ily s LEU 57 Ca 0.00 -0.75 -0.16 0.00 0.06 0.00 0.00 54.13 53.28 1ily s LEU 57 Cb 0.00 -1.89 0.06 0.00 -0.56 0.00 0.00 46.19 43.80 1ily s LEU 57 CO 0.00 -1.16 2.01 0.29 -1.06 0.00 0.00 176.35 176.43 1ily n LYS 58 N -2.10 3.01 -1.69 1.48 4.76 -1.26 -4.87 118.16 117.49 1ily n LYS 58 Ca 0.13 -2.91 0.00 0.00 -2.87 0.00 0.00 58.31 52.65 1ily n LYS 58 Cb 0.61 -3.37 0.00 0.00 -1.84 0.00 0.00 35.03 30.43 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 4.64 4.31 1.68 0.72 0.00 -1.26 -5.03 105.19 110.25 1ily n GLY 59 Ca 0.50 -1.73 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 1.16 0.00 0.00 0.00 173.32 174.48 1ily n ASN 60 N -2.22 0.15 0.00 1.61 0.23 -1.26 -5.05 115.26 108.71 1ily n ASN 60 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1ily n ASN 60 Cb 0.00 0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ily n LYS 61 N -3.16 0.00 -0.01 -3.83 5.02 -1.26 -4.98 118.16 109.94 1ily n LYS 61 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1ily n LYS 61 Cb 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.98 1ily n LYS 61 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ily h THR 62 N 0.00 1.37 -1.00 -0.18 1.35 -1.97 -0.45 112.91 112.03 1ily h THR 62 Ca 0.00 -1.98 0.21 0.00 -0.55 0.00 0.00 66.41 64.08 1ily h THR 62 Cb 0.00 2.34 -0.10 0.00 -1.73 0.00 0.00 68.15 68.66 1ily h THR 62 CO 0.00 0.59 0.62 -0.33 -0.25 0.00 0.00 175.52 176.15 1ily h GLU 63 N 0.12 0.65 0.00 4.72 4.39 -1.94 -1.11 114.58 121.40 1ily h GLU 63 Ca -0.06 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 1ily h GLU 63 Cb 1.30 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1ily h GLU 63 CO 0.13 0.43 -1.59 0.28 -1.16 0.00 0.00 179.01 177.09 1ily n VAL 64 N -4.73 0.70 -0.23 3.13 0.31 -1.23 -4.39 118.33 111.88 1ily n VAL 64 Ca 0.24 -0.61 0.23 0.00 -0.01 0.00 0.00 64.34 64.18 1ily n VAL 64 Cb 0.64 -0.37 0.41 0.00 -0.91 0.00 0.00 33.84 33.61 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 -2.34 0.73 0.31 3.52 0.00 -0.18 0.15 120.51 122.70 1ily n ALA 65 Ca -0.08 0.70 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 1ily n ALA 65 Cb 0.71 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.80 -0.68 0.00 2.43 -1.57 -0.09 114.38 113.67 1ily h ARG 66 Ca 0.59 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 60.01 1ily h ARG 66 Cb 1.59 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 31.29 1ily h ARG 66 CO -0.53 -0.51 0.67 1.96 -1.51 0.00 0.00 179.97 180.05 1ily h GLN 67 N -1.19 0.00 0.03 0.20 4.20 0.11 2.04 115.11 120.49 1ily h GLN 67 Ca -0.08 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.41 1ily h GLN 67 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1ily h GLN 67 CO 0.14 0.00 -0.96 -0.24 -0.67 0.00 0.00 178.83 177.10 1ily h VAL 68 N 0.00 1.54 0.00 -0.54 3.04 0.67 -2.46 116.25 118.50 1ily h VAL 68 Ca 0.32 -2.84 -0.11 0.00 -1.01 0.00 0.00 66.70 63.07 1ily h VAL 68 Cb 1.65 2.62 -0.02 0.00 -2.01 0.00 0.00 31.29 33.53 1ily h VAL 68 CO -0.00 0.82 -0.52 1.23 -1.01 0.00 0.00 177.57 178.09 1ily h GLY 69 N 2.01 0.00 1.19 3.17 0.00 0.50 -1.90 103.07 108.04 1ily h GLY 69 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 1ily h GLY 69 CO 0.15 0.00 -0.78 0.07 0.00 0.00 0.00 176.54 175.97 1ily h ARG 70 N 0.00 0.79 -0.29 4.80 0.11 -0.26 0.83 114.38 120.36 1ily h ARG 70 Ca -0.01 -0.65 -0.12 0.00 0.10 0.00 0.00 59.98 59.31 1ily h ARG 70 Cb 1.22 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.43 1ily h ARG 70 CO 0.07 1.25 -0.32 0.00 0.10 0.00 0.00 179.97 181.07 1ily h ALA 71 N 0.56 0.90 0.20 0.08 0.00 -1.42 0.72 119.26 120.30 1ily h ALA 71 Ca -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1ily h ALA 71 Cb 1.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ily h ALA 71 CO 0.16 0.62 -0.10 1.25 0.00 0.00 0.00 179.25 181.19 1ily h LEU 72 N 0.53 -0.23 -2.07 0.00 5.85 -1.23 0.73 115.31 118.88 1ily h LEU 72 Ca 0.06 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1ily h LEU 72 Cb 0.81 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1ily h LEU 72 CO 0.07 0.20 -0.09 0.00 -0.34 0.00 0.00 178.44 178.28 1ily h ALA 73 N -0.05 1.37 0.00 1.25 0.00 0.68 0.48 119.26 122.99 1ily h ALA 73 Ca -0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1ily h ALA 73 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ily h ALA 73 CO 0.05 0.11 -0.91 0.93 0.00 0.00 0.00 179.25 179.42 1ily h GLU 74 N 0.00 0.00 0.03 0.00 5.08 0.66 -1.61 114.58 118.74 1ily h GLU 74 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ily h GLU 74 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ily h GLU 74 CO 0.01 0.91 -0.02 0.87 -1.00 0.00 0.00 179.01 179.78 1ily h LYS 75 N 0.00 -0.05 -0.93 2.33 1.57 0.17 -2.82 116.57 116.84 1ily h LYS 75 Ca -0.01 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.05 1ily h LYS 75 Cb 1.61 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.78 1ily h LYS 75 CO 0.12 -0.03 0.36 0.00 -0.57 0.00 0.00 179.45 179.32 1ily h ALA 76 N -1.93 1.54 -0.96 3.86 0.00 -0.32 0.94 119.26 122.40 1ily h ALA 76 Ca -0.00 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1ily h ALA 76 Cb 0.04 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1ily h ALA 76 CO 0.01 -0.52 0.61 -0.07 0.00 0.00 0.00 179.25 179.28 1ily h LEU 77 N 0.24 0.91 -1.95 0.00 3.38 -1.37 0.16 115.31 116.67 1ily h LEU 77 Ca 0.63 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.72 1ily h LEU 77 Cb 1.35 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ily h LEU 77 CO -0.65 0.54 0.44 0.00 0.09 0.00 0.00 178.44 178.85 1ily h ALA 78 N 1.52 1.97 0.00 1.53 0.00 0.12 1.06 119.26 125.46 1ily h ALA 78 Ca 0.44 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.14 1ily h ALA 78 Cb 0.36 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1ily h ALA 78 CO -0.20 -0.61 -1.47 -0.07 0.00 0.00 0.00 179.25 176.91 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.00 -3.48 115.31 114.21 1ily h LEU 79 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ily h LEU 79 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ily h LEU 79 CO -0.00 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1ily n GLY 80 N 1.44 1.58 3.52 0.83 0.00 0.37 -5.07 105.19 107.84 1ily n GLY 80 Ca -0.11 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 4.17 -0.09 -0.61 1.09 -0.96 -4.79 121.20 118.01 1ily s ILE 81 Ca 0.00 0.21 0.14 0.00 -1.10 0.00 0.00 60.65 59.90 1ily s ILE 81 Cb 0.00 -4.69 -0.20 0.00 -1.06 0.00 0.00 42.46 36.50 1ily s ILE 81 CO 0.00 -1.42 0.18 2.29 -0.10 0.00 0.00 174.94 175.89 1ily n LYS 82 N 8.10 1.15 -4.44 2.79 0.00 -1.26 -4.01 118.16 120.49 1ily n LYS 82 Ca 0.01 -0.07 -0.28 0.00 -0.00 0.00 0.00 58.31 57.97 1ily n LYS 82 Cb 0.47 -1.36 -0.17 0.00 -0.00 0.00 0.00 35.03 33.97 1ily n LYS 82 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1ily s GLN 83 N -2.66 2.21 0.28 -1.58 1.11 -1.26 0.42 119.66 118.18 1ily s GLN 83 Ca -0.06 -0.56 0.07 0.00 0.01 0.00 0.00 55.36 54.82 1ily s GLN 83 Cb 0.07 -1.89 -0.06 0.00 -1.01 0.00 0.00 33.01 30.12 1ily s GLN 83 CO 0.61 -0.07 -0.07 0.08 0.01 0.00 0.00 175.29 175.85 1ily s VAL 84 N 1.01 1.71 -0.42 1.09 1.01 0.53 -4.32 120.40 121.01 1ily s VAL 84 Ca -0.06 -2.14 -0.10 0.00 0.00 0.00 0.00 61.98 59.67 1ily s VAL 84 Cb -0.15 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1ily s VAL 84 CO -0.02 -0.30 0.28 0.00 0.00 0.00 0.00 175.10 175.06 1ily s ALA 85 N -2.97 3.33 -0.28 5.51 0.00 0.14 -3.90 121.76 123.60 1ily s ALA 85 Ca 0.30 -2.10 -0.28 0.00 0.00 0.00 0.00 51.96 49.88 1ily s ALA 85 Cb 0.03 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1ily s ALA 85 CO 0.12 -1.63 1.00 0.12 0.00 0.00 0.00 175.76 175.37 1ily s PHE 86 N 1.48 3.23 -0.30 0.00 5.36 -1.26 0.40 117.98 126.88 1ily s PHE 86 Ca 0.03 1.23 0.18 0.00 -0.96 0.00 0.00 56.93 57.40 1ily s PHE 86 Cb -0.23 -3.43 0.46 0.00 -0.34 0.00 0.00 43.02 39.48 1ily s PHE 86 CO 0.03 -0.61 1.32 -3.47 -1.46 0.00 0.00 175.22 171.03 1ily n ASP 87 N 6.52 0.02 -0.56 6.13 2.03 -1.02 -4.96 116.55 124.72 1ily n ASP 87 Ca 0.10 -2.16 0.46 0.00 0.52 0.00 0.00 54.79 53.72 1ily n ASP 87 Cb 0.47 0.12 0.78 0.00 -0.72 0.00 0.00 41.12 41.77 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1ily h ARG 88 N 1.86 0.00 0.00 -0.67 -0.00 -1.89 -3.47 114.38 110.21 1ily h ARG 88 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.69 1ily h ARG 88 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1ily h ARG 88 CO 0.01 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.39 1ily n GLY 89 N -1.86 0.38 2.31 0.08 0.00 -1.26 -4.82 105.19 100.01 1ily n GLY 89 Ca 0.37 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 1ily n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ily n PRO 90 N 0.00 2.41 -3.36 1.61 -0.02 -1.26 -4.88 135.00 129.50 1ily n PRO 90 Ca 0.00 -1.43 -0.18 0.00 -2.02 0.00 0.00 63.50 59.86 1ily n PRO 90 Cb 0.00 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ily s TYR 91 N 2.21 3.03 0.09 6.00 1.51 -1.26 -5.13 117.35 123.79 1ily s TYR 91 Ca 0.55 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 1ily s TYR 91 Cb 0.19 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1ily s TYR 91 CO -0.03 -0.11 -0.12 0.21 -1.11 0.00 0.00 175.55 174.39 1ily s LYS 92 N -4.22 0.85 -0.41 -0.62 2.20 -1.26 -5.07 119.74 111.21 1ily s LYS 92 Ca 0.48 -1.10 -0.38 0.00 -0.36 0.00 0.00 55.97 54.61 1ily s LYS 92 Cb -0.10 -0.66 -0.14 0.00 -1.51 0.00 0.00 37.83 35.42 1ily s LYS 92 CO 0.31 0.12 2.19 0.98 -0.36 0.00 0.00 175.35 178.59 1ily n TYR 93 N 0.79 1.44 -4.32 4.03 9.36 -1.26 -4.91 117.16 122.28 1ily n TYR 93 Ca -0.18 0.44 -0.20 0.00 3.32 0.00 0.00 57.90 61.28 1ily n TYR 93 Cb 0.56 -2.45 -0.11 0.00 -0.63 0.00 0.00 39.34 36.71 1ily n TYR 93 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ily s HIS 94 N 6.98 1.71 0.52 2.98 2.46 -1.26 -5.01 115.29 123.67 1ily s HIS 94 Ca 1.13 -0.51 0.47 0.00 0.47 0.00 0.00 55.06 56.62 1ily s HIS 94 Cb -1.07 -0.84 1.61 0.00 -0.13 0.00 0.00 32.58 32.15 1ily s HIS 94 CO 0.54 0.31 1.45 0.41 -2.47 0.00 0.00 174.74 174.98 1ily n GLY 95 N 0.14 -0.92 0.00 1.59 0.00 -1.26 -1.78 105.19 102.95 1ily n GLY 95 Ca -0.12 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.78 0.00 -0.20 1.61 5.12 -1.26 -3.75 116.66 114.40 1ily n ARG 96 Ca 0.41 0.45 0.03 0.00 -1.93 0.00 0.00 57.85 56.82 1ily n ARG 96 Cb 1.88 -1.03 0.07 0.00 -1.16 0.00 0.00 32.46 32.22 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 -1.85 -0.24 0.00 1.55 0.31 -0.73 0.15 118.33 117.51 1ily n VAL 97 Ca 0.00 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.59 1ily n VAL 97 Cb 0.00 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 -4.89 0.00 -0.27 5.55 2.85 -1.17 0.72 118.16 120.95 1ily n LYS 98 Ca 0.09 0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.73 1ily n LYS 98 Cb 0.27 -1.25 0.32 0.00 -0.65 0.00 0.00 35.03 33.73 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 -1.95 1.70 -0.04 0.58 0.00 -1.38 -0.83 119.26 117.33 1ily h ALA 99 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ily h ALA 99 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ily h ALA 99 CO 0.00 0.11 -0.01 1.25 0.00 0.00 0.00 179.25 180.60 1ily h LEU 100 N 0.82 0.09 -1.57 0.00 6.46 0.13 -2.34 115.31 118.89 1ily h LEU 100 Ca 0.41 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1ily h LEU 100 Cb 0.48 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1ily h LEU 100 CO -0.18 0.45 0.12 0.00 -0.62 0.00 0.00 178.44 178.21 1ily h ALA 101 N 0.64 1.67 -0.21 1.25 0.00 0.88 -0.69 119.26 122.80 1ily h ALA 101 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ily h ALA 101 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ily h ALA 101 CO 0.00 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 180.44 1ily h GLU 102 N 0.41 0.37 -0.27 0.00 5.08 -1.08 0.40 114.58 119.48 1ily h GLU 102 Ca 0.10 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ily h GLU 102 Cb 0.08 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1ily h GLU 102 CO -0.01 0.58 -0.47 0.78 -1.00 0.00 0.00 179.01 178.89 1ily h GLY 103 N 0.12 -0.76 0.83 -3.84 0.00 -0.80 6.88 103.07 105.50 1ily h GLY 103 Ca 0.06 0.59 0.05 0.00 0.00 0.00 0.00 47.33 48.02 1ily h GLY 103 CO 0.01 -0.19 0.66 0.00 0.00 0.00 0.00 176.54 177.02 1ily h ALA 104 N 0.13 1.37 0.00 3.60 0.00 0.32 0.78 119.26 125.46 1ily h ALA 104 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ily h ALA 104 Cb 0.62 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ily h ALA 104 CO -0.50 0.51 -0.30 -0.09 0.00 0.00 0.00 179.25 178.88 1ily h ARG 105 N 1.24 0.00 -0.98 0.00 9.65 0.12 0.36 114.38 124.77 1ily h ARG 105 Ca 0.41 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.51 1ily h ARG 105 Cb 0.07 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.53 1ily h ARG 105 CO -0.14 0.86 0.56 1.05 2.80 0.00 0.00 179.97 185.09 1ily h GLU 106 N -1.00 0.59 -0.08 0.20 4.11 1.44 0.42 114.58 120.27 1ily h GLU 106 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 1ily h GLU 106 Cb 0.94 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1ily h GLU 106 CO -0.05 0.39 0.01 0.78 0.07 0.00 0.00 179.01 180.21 1ily h GLY 107 N 0.61 0.14 0.00 1.06 0.00 0.50 -3.47 103.07 101.91 1ily h GLY 107 Ca 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1ily h GLY 107 CO -0.45 0.09 0.00 0.61 0.00 0.00 0.00 176.54 176.79 1ily n GLY 108 N -0.36 0.08 3.77 4.60 0.00 0.14 -4.77 105.19 108.65 1ily n GLY 108 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 4.07 -0.42 0.99 1.02 0.12 -4.31 118.68 120.15 1ily s LEU 109 Ca 0.00 2.24 0.02 0.00 0.02 0.00 0.00 54.13 56.41 1ily s LEU 109 Cb 0.00 -4.20 0.13 0.00 0.02 0.00 0.00 46.19 42.14 1ily s LEU 109 CO 0.00 -0.77 0.21 -1.61 0.02 0.00 0.00 176.35 174.20 1ily s GLU 110 N -2.59 1.30 0.00 1.70 8.01 1.40 -3.47 118.70 125.05 1ily s GLU 110 Ca 0.61 -1.94 0.01 0.00 0.01 0.00 0.00 54.97 53.66 1ily s GLU 110 Cb -0.27 -2.46 0.01 0.00 -4.31 0.00 0.00 34.13 27.09 1ily s GLU 110 CO 0.33 -1.12 0.52 1.97 0.01 0.00 0.00 175.26 176.98