#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 3.50 -0.23 2.89 2.01 -1.26 -1.00 118.68 124.59 1ily s LEU 23 Ca 0.00 0.00 -0.10 0.00 0.01 0.00 0.00 54.13 54.05 1ily s LEU 23 Cb 0.00 -1.85 -0.05 0.00 0.01 0.00 0.00 46.19 44.31 1ily s LEU 23 CO 0.00 0.22 0.14 -0.60 1.01 0.00 0.00 176.35 177.12 1ily s ARG 24 N 0.05 4.02 0.13 1.70 3.52 0.17 -0.01 118.95 128.52 1ily s ARG 24 Ca 0.02 -0.30 -0.16 0.00 -0.13 0.00 0.00 55.73 55.16 1ily s ARG 24 Cb -0.13 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.72 1ily s ARG 24 CO 0.02 0.07 0.57 -1.17 -0.81 0.00 0.00 175.30 173.98 1ily s LEU 25 N 1.00 4.40 0.03 -0.88 0.20 0.41 -1.21 118.68 122.63 1ily s LEU 25 Ca 0.07 1.17 0.02 0.00 0.69 0.00 0.00 54.13 56.07 1ily s LEU 25 Cb -0.13 -3.18 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 1ily s LEU 25 CO 0.04 0.15 -0.07 -0.44 -0.29 0.00 0.00 176.35 175.74 1ily s SER 26 N -1.52 0.73 -0.06 3.68 0.01 0.34 -3.02 113.70 113.85 1ily s SER 26 Ca 0.35 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 1ily s SER 26 Cb -0.17 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.12 1ily s SER 26 CO 0.19 -0.16 0.08 0.54 0.41 0.00 0.00 173.24 174.30 1ily s VAL 27 N -1.12 -0.13 -0.04 3.43 0.11 -1.26 0.85 120.40 122.24 1ily s VAL 27 Ca -0.08 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1ily s VAL 27 Cb -0.08 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1ily s VAL 27 CO 0.00 0.11 -0.03 0.12 -3.33 0.00 0.00 175.10 171.98 1ily s PHE 28 N 2.19 3.04 -0.07 1.54 5.36 0.18 -4.89 117.98 125.33 1ily s PHE 28 Ca 0.04 0.08 -0.03 0.00 -0.96 0.00 0.00 56.93 56.07 1ily s PHE 28 Cb -0.13 -1.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.89 1ily s PHE 28 CO -0.04 0.42 0.13 1.03 -1.46 0.00 0.00 175.22 175.30 1ily s ARG 29 N -1.16 0.02 0.00 10.12 0.52 -1.26 0.33 118.95 127.52 1ily s ARG 29 Ca 0.16 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1ily s ARG 29 Cb -0.11 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.06 1ily s ARG 29 CO 0.05 -0.28 0.00 0.45 0.02 0.00 0.00 175.30 175.55 1ily n SER 30 N 5.06 0.00 0.12 0.23 2.88 -1.26 -4.99 113.62 115.66 1ily n SER 30 Ca -0.10 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ily n SER 30 Cb 0.50 -0.06 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 -0.11 -1.23 0.00 0.00 175.04 173.70 1ily n LEU 31 N -1.11 -0.07 -0.30 2.46 7.94 -1.26 -4.89 117.00 119.77 1ily n LEU 31 Ca 0.00 0.41 0.08 0.00 -1.11 0.00 0.00 56.01 55.39 1ily n LEU 31 Cb 0.00 0.31 0.17 0.00 0.53 0.00 0.00 43.42 44.43 1ily n LEU 31 CO 0.00 -0.75 0.52 1.17 -1.11 0.00 0.00 177.39 177.22 1ily n LYS 32 N -3.36 1.47 -4.58 1.96 4.81 -1.26 -5.04 118.16 112.17 1ily n LYS 32 Ca 0.00 -2.82 -0.28 0.00 -0.87 0.00 0.00 58.31 54.34 1ily n LYS 32 Cb 0.01 -1.56 -0.11 0.00 0.02 0.00 0.00 35.03 33.39 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 -2.99 2.52 -0.23 5.64 3.76 -1.26 -4.91 115.29 117.82 1ily s HIS 33 Ca 0.35 -0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 54.46 1ily s HIS 33 Cb 0.31 -1.78 0.07 0.00 1.11 0.00 0.00 32.58 32.29 1ily s HIS 33 CO 0.00 0.43 0.57 -1.50 -0.85 0.00 0.00 174.74 173.40 1ily s ILE 34 N -2.70 -0.01 -0.02 0.60 1.10 -1.26 -4.01 121.20 114.90 1ily s ILE 34 Ca 0.35 0.03 -0.11 0.00 -0.51 0.00 0.00 60.65 60.42 1ily s ILE 34 Cb 0.09 -0.83 0.02 0.00 0.15 0.00 0.00 42.46 41.89 1ily s ILE 34 CO 0.18 0.01 0.24 -0.31 -2.11 0.00 0.00 174.94 172.95 1ily s TYR 35 N 1.33 -0.11 -0.06 3.50 1.51 0.15 -3.39 117.35 120.28 1ily s TYR 35 Ca -0.08 0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1ily s TYR 35 Cb -0.06 0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.86 1ily s TYR 35 CO -0.14 -0.31 0.00 0.00 -1.11 0.00 0.00 175.55 174.00 1ily s ALA 36 N -1.11 0.64 -0.28 3.71 0.00 -0.13 0.52 121.76 125.11 1ily s ALA 36 Ca -0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1ily s ALA 36 Cb -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1ily s ALA 36 CO 0.03 -0.41 -0.02 -1.14 0.00 0.00 0.00 175.76 174.22 1ily s GLN 37 N 1.87 2.70 -0.82 0.00 2.00 0.25 -1.90 119.66 123.76 1ily s GLN 37 Ca 0.03 -1.08 -0.17 0.00 -2.00 0.00 0.00 55.36 52.14 1ily s GLN 37 Cb -0.12 -3.12 0.16 0.00 0.80 0.00 0.00 33.01 30.72 1ily s GLN 37 CO -0.05 -0.50 0.90 0.42 -0.50 0.00 0.00 175.29 175.57 1ily s ILE 38 N 1.32 5.07 0.34 -2.34 -1.09 0.86 -0.50 121.20 124.87 1ily s ILE 38 Ca -0.02 -1.77 0.03 0.00 -2.23 0.00 0.00 60.65 56.66 1ily s ILE 38 Cb -0.18 -4.60 -0.02 0.00 -1.58 0.00 0.00 42.46 36.08 1ily s ILE 38 CO -0.02 -1.25 0.52 -0.63 -1.23 0.00 0.00 174.94 172.33 1ily s ILE 39 N 1.77 4.68 -0.44 2.92 1.09 -0.35 -1.90 121.20 128.97 1ily s ILE 39 Ca 0.22 -0.70 -0.17 0.00 -1.10 0.00 0.00 60.65 58.90 1ily s ILE 39 Cb -0.11 -3.68 0.03 0.00 -1.06 0.00 0.00 42.46 37.64 1ily s ILE 39 CO -0.06 -0.37 0.46 -0.62 -0.10 0.00 0.00 174.94 174.25 1ily s ASP 40 N -4.09 6.19 -0.17 3.58 -1.08 0.25 0.45 116.67 121.79 1ily s ASP 40 Ca 0.42 -0.80 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1ily s ASP 40 Cb -0.10 -2.23 0.32 0.00 -1.46 0.00 0.00 42.92 39.46 1ily s ASP 40 CO 0.34 -0.63 1.30 -0.90 0.52 0.00 0.00 175.17 175.80 1ily n ASP 41 N 5.63 3.27 -0.06 -0.34 5.68 -0.17 -2.49 116.55 128.06 1ily n ASP 41 Ca -0.08 -2.62 -0.12 0.00 -0.50 0.00 0.00 54.79 51.47 1ily n ASP 41 Cb 0.47 -0.63 -0.05 0.00 -1.14 0.00 0.00 41.12 39.77 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 -0.07 0.27 -3.81 0.11 2.13 -1.14 -4.54 120.64 113.59 1ily n GLU 42 Ca 0.22 0.10 -0.25 0.00 0.66 0.00 0.00 57.16 57.89 1ily n GLU 42 Cb 0.92 -1.02 -0.17 0.00 0.27 0.00 0.00 31.44 31.43 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 -2.23 0.95 -0.95 5.31 1.02 -1.23 -5.03 119.74 117.57 1ily s LYS 43 Ca -0.17 -0.12 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1ily s LYS 43 Cb 0.06 -1.40 -0.29 0.00 -0.52 0.00 0.00 37.83 35.68 1ily s LYS 43 CO 0.23 -0.35 2.22 0.41 -0.92 0.00 0.00 175.35 176.95 1ily n GLY 44 N 5.05 -0.42 2.65 -3.33 0.00 -1.21 -4.45 105.19 103.47 1ily n GLY 44 Ca -0.09 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 3.38 0.01 -0.24 1.61 1.01 -1.04 -4.96 120.40 120.18 1ily s VAL 45 Ca 1.24 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 1ily s VAL 45 Cb -0.71 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1ily s VAL 45 CO 0.47 -0.15 1.12 -0.89 0.00 0.00 0.00 175.10 175.65 1ily s THR 46 N 2.10 4.52 -0.17 3.92 2.01 -1.26 0.84 115.64 127.60 1ily s THR 46 Ca 0.02 1.81 -0.15 0.00 0.31 0.00 0.00 61.69 63.69 1ily s THR 46 Cb -0.15 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 1ily s THR 46 CO -0.07 -0.25 -0.31 0.18 -0.69 0.00 0.00 174.62 173.48 1ily n LEU 47 N 6.59 1.79 -4.43 4.42 4.32 -0.80 -4.96 117.00 123.94 1ily n LEU 47 Ca 0.13 0.30 -0.31 0.00 -0.02 0.00 0.00 56.01 56.11 1ily n LEU 47 Cb 0.46 -0.69 -0.13 0.00 -1.62 0.00 0.00 43.42 41.43 1ily n LEU 47 CO 0.55 -0.08 -0.51 -0.69 -1.22 0.00 0.00 177.39 175.44 1ily s VAL 48 N -2.68 2.62 -0.21 4.08 1.01 -0.96 -4.98 120.40 119.28 1ily s VAL 48 Ca -0.28 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1ily s VAL 48 Cb 0.06 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.47 1ily s VAL 48 CO 0.39 0.35 0.36 -0.94 0.00 0.00 0.00 175.10 175.26 1ily s SER 49 N -1.37 0.20 0.07 3.32 1.04 -1.25 -0.10 113.70 115.61 1ily s SER 49 Ca 0.14 0.48 0.03 0.00 0.48 0.00 0.00 55.95 57.08 1ily s SER 49 Cb -0.10 1.06 -0.03 0.00 0.10 0.00 0.00 66.02 67.05 1ily s SER 49 CO 0.04 -0.27 -0.09 0.00 0.98 0.00 0.00 173.24 173.90 1ily s ALA 50 N 2.53 0.88 -0.15 5.32 0.00 -0.80 -4.97 121.76 124.56 1ily s ALA 50 Ca 0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1ily s ALA 50 Cb -0.14 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1ily s ALA 50 CO -0.13 -0.03 0.37 0.45 0.00 0.00 0.00 175.76 176.42 1ily s SER 51 N -2.08 -0.45 0.53 0.00 0.15 -1.26 -0.96 113.70 109.63 1ily s SER 51 Ca -0.01 0.80 0.19 0.00 0.70 0.00 0.00 55.95 57.64 1ily s SER 51 Cb -0.06 0.70 1.34 0.00 -1.71 0.00 0.00 66.02 66.30 1ily s SER 51 CO -0.00 -0.18 2.12 0.28 1.20 0.00 0.00 173.24 176.66 1ily h SER 52 N 6.96 0.00 -0.11 5.45 0.02 -1.93 -1.94 113.55 122.00 1ily h SER 52 Ca -0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1ily h SER 52 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ily h SER 52 CO 0.31 0.00 -0.01 0.25 -1.14 0.00 0.00 176.83 176.24 1ily h LEU 53 N 0.00 0.20 -1.79 5.07 7.12 -1.91 -1.04 115.31 122.96 1ily h LEU 53 Ca 0.06 -0.34 0.01 0.00 0.13 0.00 0.00 57.88 57.74 1ily h LEU 53 Cb 0.24 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1ily h LEU 53 CO -0.00 0.49 0.15 0.00 -0.13 0.00 0.00 178.44 178.95 1ily h ALA 54 N 0.72 1.87 -0.43 1.25 0.00 -1.71 0.23 119.26 121.18 1ily h ALA 54 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ily h ALA 54 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ily h ALA 54 CO 0.01 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ily n LEU 55 N -4.50 2.50 -0.38 0.00 4.32 -0.90 -4.94 117.00 113.09 1ily n LEU 55 Ca 0.01 -1.25 0.00 0.00 -0.02 0.00 0.00 56.01 54.74 1ily n LEU 55 Cb 0.09 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1ily n LEU 55 CO 0.35 0.58 0.00 2.29 -1.22 0.00 0.00 177.39 179.39 1ily n LYS 56 N 0.76 -0.08 -2.01 3.23 -0.00 0.82 -4.80 118.16 116.08 1ily n LYS 56 Ca 0.15 -0.04 -0.29 0.00 -0.00 0.00 0.00 58.31 58.13 1ily n LYS 56 Cb 0.41 0.07 0.16 0.00 -0.00 0.00 0.00 35.03 35.67 1ily n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ily s LEU 57 N -0.46 2.71 -1.33 -5.58 1.43 -1.25 -4.92 118.68 109.28 1ily s LEU 57 Ca 0.00 0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1ily s LEU 57 Cb 0.00 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1ily s LEU 57 CO 0.00 -2.44 2.33 2.29 0.23 0.00 0.00 176.35 178.75 1ily n LYS 58 N -3.55 2.74 0.00 1.70 2.85 -1.26 -4.79 118.16 115.85 1ily n LYS 58 Ca 0.14 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 55.10 1ily n LYS 58 Cb 0.60 -3.05 0.00 0.00 -0.65 0.00 0.00 35.03 31.93 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ily n GLY 59 N 4.04 5.39 2.02 2.58 0.00 -1.26 -4.96 105.19 112.99 1ily n GLY 59 Ca 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.35 0.00 1.61 2.85 -1.26 -5.00 115.26 113.11 1ily n ASN 60 Ca 0.00 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1ily n ASN 60 Cb 0.00 0.52 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ily n LYS 61 N -2.68 0.00 -0.03 1.20 5.02 -1.26 -4.91 118.16 115.50 1ily n LYS 61 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1ily n LYS 61 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 35.53 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ily n THR 62 N -1.29 0.08 0.01 -0.18 -2.24 -1.26 -2.92 114.28 106.49 1ily n THR 62 Ca 0.00 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 1ily n THR 62 Cb 0.00 0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.14 0.22 0.00 -0.78 5.08 -1.96 -3.37 114.58 114.90 1ily h GLU 63 Ca 0.00 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.86 1ily h GLU 63 Cb 0.25 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1ily h GLU 63 CO 0.00 1.15 -1.67 0.28 -1.00 0.00 0.00 179.01 177.78 1ily n VAL 64 N -4.28 0.90 -0.19 3.13 0.31 -1.25 -4.41 118.33 112.53 1ily n VAL 64 Ca -0.12 -0.66 0.15 0.00 -0.01 0.00 0.00 64.34 63.69 1ily n VAL 64 Cb 0.71 -0.48 0.28 0.00 -0.91 0.00 0.00 33.84 33.43 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 -2.40 0.49 0.36 3.52 0.00 -1.15 0.18 120.51 121.51 1ily n ALA 65 Ca -0.12 0.60 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 1ily n ALA 65 Cb 0.80 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.92 -0.80 0.00 2.43 -1.68 0.52 114.38 113.93 1ily h ARG 66 Ca 0.44 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.91 1ily h ARG 66 Cb 1.09 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 1ily h ARG 66 CO -0.48 -0.62 0.80 1.96 -1.51 0.00 0.00 179.97 180.12 1ily h GLN 67 N -1.23 0.00 0.06 0.20 7.50 0.16 2.20 115.11 124.01 1ily h GLN 67 Ca -0.10 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.81 1ily h GLN 67 Cb 0.73 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.25 1ily h GLN 67 CO 0.16 0.00 -1.12 -0.24 -1.50 0.00 0.00 178.83 176.13 1ily h VAL 68 N 0.00 1.61 0.00 -0.54 3.04 0.71 -2.49 116.25 118.58 1ily h VAL 68 Ca 0.38 -3.23 -0.21 0.00 -1.01 0.00 0.00 66.70 62.63 1ily h VAL 68 Cb 1.97 2.89 -0.03 0.00 -2.01 0.00 0.00 31.29 34.12 1ily h VAL 68 CO -0.00 0.93 -0.98 1.23 -1.01 0.00 0.00 177.57 177.74 1ily h GLY 69 N 2.27 0.01 1.18 3.17 0.00 0.56 -1.38 103.07 108.88 1ily h GLY 69 Ca -0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 1ily h GLY 69 CO 0.17 0.03 -0.73 0.07 0.00 0.00 0.00 176.54 176.08 1ily h ARG 70 N 0.00 0.82 -0.32 4.80 -0.00 0.06 0.85 114.38 120.58 1ily h ARG 70 Ca -0.01 -0.63 -0.14 0.00 -0.00 0.00 0.00 59.98 59.20 1ily h ARG 70 Cb 1.72 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 31.80 1ily h ARG 70 CO 0.13 1.24 -0.35 0.00 -0.00 0.00 0.00 179.97 180.99 1ily h ALA 71 N 0.59 0.77 0.25 0.08 0.00 -1.50 0.59 119.26 120.04 1ily h ALA 71 Ca -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1ily h ALA 71 Cb 1.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ily h ALA 71 CO 0.15 0.65 -0.12 1.25 0.00 0.00 0.00 179.25 181.19 1ily h LEU 72 N 0.61 -0.28 -2.04 0.00 5.85 -1.11 -0.90 115.31 117.44 1ily h LEU 72 Ca 0.06 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ily h LEU 72 Cb 0.89 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1ily h LEU 72 CO 0.08 0.04 -0.08 0.00 -0.34 0.00 0.00 178.44 178.14 1ily h ALA 73 N 0.03 1.21 0.00 1.25 0.00 0.71 0.50 119.26 122.95 1ily h ALA 73 Ca -0.03 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1ily h ALA 73 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ily h ALA 73 CO 0.06 0.10 -0.81 0.93 0.00 0.00 0.00 179.25 179.52 1ily h GLU 74 N 0.00 0.00 0.03 0.00 5.08 0.59 -1.72 114.58 118.56 1ily h GLU 74 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1ily h GLU 74 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1ily h GLU 74 CO 0.01 0.81 -1.38 1.57 -1.00 0.00 0.00 179.01 179.02 1ily h LYS 75 N 0.00 0.07 -0.99 2.33 2.10 0.10 -3.13 116.57 117.04 1ily h LYS 75 Ca -0.01 -0.11 0.18 0.00 -2.00 0.00 0.00 60.65 58.71 1ily h LYS 75 Cb 1.45 0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 32.72 1ily h LYS 75 CO 0.11 1.05 0.60 0.00 -2.00 0.00 0.00 179.45 179.21 1ily h ALA 76 N -0.35 1.63 -0.86 0.07 0.00 -0.17 0.70 119.26 120.28 1ily h ALA 76 Ca -0.35 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ily h ALA 76 Cb 1.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1ily h ALA 76 CO -0.13 -0.03 0.56 -0.07 0.00 0.00 0.00 179.25 179.58 1ily h LEU 77 N 0.78 0.99 -2.09 0.00 3.38 -1.44 -1.07 115.31 115.86 1ily h LEU 77 Ca 0.56 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.55 1ily h LEU 77 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ily h LEU 77 CO -0.37 0.72 0.33 0.00 0.09 0.00 0.00 178.44 179.21 1ily h ALA 78 N 1.45 1.66 0.00 1.53 0.00 0.48 1.06 119.26 125.45 1ily h ALA 78 Ca 0.31 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 1ily h ALA 78 Cb -0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ily h ALA 78 CO -0.07 -0.42 -1.43 -0.07 0.00 0.00 0.00 179.25 177.26 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.10 -3.48 115.31 114.11 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 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ily h LEU 79 CO -0.00 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1ily n GLY 80 N 1.43 1.31 3.56 0.83 0.00 0.37 -5.05 105.19 107.64 1ily n GLY 80 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 3.45 -0.15 -0.61 1.09 -0.92 -4.81 121.20 117.24 1ily s ILE 81 Ca 0.00 0.34 -0.12 0.00 -1.10 0.00 0.00 60.65 59.77 1ily s ILE 81 Cb 0.00 -3.95 -0.07 0.00 -1.06 0.00 0.00 42.46 37.39 1ily s ILE 81 CO 0.00 -0.84 -0.08 0.50 -0.10 0.00 0.00 174.94 174.42 1ily h LYS 82 N 13.92 0.00 -6.41 2.79 3.64 -1.89 -3.38 116.57 125.24 1ily h LYS 82 Ca -0.28 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.44 1ily h LYS 82 Cb 1.15 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.81 1ily h LYS 82 CO 1.17 0.23 -0.71 -0.65 -2.27 0.00 0.00 179.45 177.22 1ily s GLN 83 N -2.25 2.38 0.17 1.90 1.11 -1.26 0.20 119.66 121.91 1ily s GLN 83 Ca -0.18 -0.87 0.02 0.00 0.01 0.00 0.00 55.36 54.35 1ily s GLN 83 Cb 0.03 -2.42 -0.05 0.00 -1.01 0.00 0.00 33.01 29.56 1ily s GLN 83 CO 0.30 0.55 -0.01 0.08 0.01 0.00 0.00 175.29 176.23 1ily s VAL 84 N -1.13 0.71 -0.51 1.09 1.01 0.22 -4.32 120.40 117.47 1ily s VAL 84 Ca 0.20 -1.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.04 1ily s VAL 84 Cb -0.11 -2.10 0.11 0.00 0.00 0.00 0.00 36.38 34.28 1ily s VAL 84 CO 0.12 -0.50 0.45 0.00 0.00 0.00 0.00 175.10 175.17 1ily s ALA 85 N -3.63 3.60 -0.58 5.51 0.00 0.98 -4.02 121.76 123.62 1ily s ALA 85 Ca 0.23 -2.40 -0.28 0.00 0.00 0.00 0.00 51.96 49.52 1ily s ALA 85 Cb 0.06 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1ily s ALA 85 CO 0.04 -1.91 1.15 0.12 0.00 0.00 0.00 175.76 175.16 1ily s PHE 86 N 1.60 2.63 -0.42 0.00 5.36 -1.26 -0.44 117.98 125.45 1ily s PHE 86 Ca 0.03 0.34 0.06 0.00 -0.96 0.00 0.00 56.93 56.40 1ily s PHE 86 Cb -0.28 -4.45 0.21 0.00 -0.34 0.00 0.00 43.02 38.16 1ily s PHE 86 CO 0.04 -1.56 0.48 -3.47 -1.46 0.00 0.00 175.22 169.25 1ily n ASP 87 N 8.30 -0.60 -0.27 6.13 2.03 -1.17 -4.98 116.55 125.98 1ily n ASP 87 Ca 0.07 -2.60 0.05 0.00 0.52 0.00 0.00 54.79 52.83 1ily n ASP 87 Cb 0.49 -0.26 0.27 0.00 -0.72 0.00 0.00 41.12 40.90 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 4.81 0.93 0.00 -0.67 -0.00 -1.90 -3.46 114.38 114.08 1ily h ARG 88 Ca 0.14 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 60.07 1ily h ARG 88 Cb 0.92 -0.21 0.00 0.00 -0.00 0.00 0.00 29.97 30.68 1ily h ARG 88 CO 0.38 0.61 0.00 0.41 -0.00 0.00 0.00 179.97 181.37 1ily n GLY 89 N -1.41 1.15 1.65 0.08 0.00 -1.26 -4.64 105.19 100.77 1ily n GLY 89 Ca 0.13 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 1.66 -4.02 1.61 -0.04 -1.26 -4.92 135.00 128.03 1ily n PRO 90 Ca 0.00 -1.53 -0.26 0.00 -0.04 0.00 0.00 63.50 61.66 1ily n PRO 90 Cb 0.00 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.70 3.30 0.07 0.54 1.51 -1.26 -5.13 117.35 114.69 1ily s TYR 91 Ca 0.29 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 1ily s TYR 91 Cb 0.24 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1ily s TYR 91 CO 0.05 0.52 -0.12 0.21 -1.11 0.00 0.00 175.55 175.10 1ily s LYS 92 N -3.16 0.76 -0.40 -0.62 2.20 -1.26 -4.98 119.74 112.27 1ily s LYS 92 Ca 0.33 -0.94 -0.37 0.00 -0.36 0.00 0.00 55.97 54.62 1ily s LYS 92 Cb -0.11 -0.66 -0.14 0.00 -1.51 0.00 0.00 37.83 35.41 1ily s LYS 92 CO 0.26 0.14 2.19 0.98 -0.36 0.00 0.00 175.35 178.55 1ily n TYR 93 N 1.21 1.45 0.00 4.03 9.36 -1.26 -4.76 117.16 127.19 1ily n TYR 93 Ca -0.21 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1ily n TYR 93 Cb 0.55 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 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 9.28 0.00 0.11 2.98 -0.00 -1.26 -5.10 115.22 121.23 1ily n HIS 94 Ca 0.46 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.64 1ily n HIS 94 Cb 0.15 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 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 3.71 -1.02 0.49 1.57 0.00 -1.26 -4.91 105.19 103.77 1ily n GLY 95 Ca 0.00 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.92 -1.00 1.61 3.08 -1.95 -1.36 114.38 113.85 1ily h ARG 96 Ca 0.00 0.06 0.40 0.00 0.07 0.00 0.00 59.98 60.52 1ily h ARG 96 Cb 0.00 0.21 -0.18 0.00 0.08 0.00 0.00 29.97 30.08 1ily h ARG 96 CO 0.00 -0.61 0.49 0.28 -1.07 0.00 0.00 179.97 179.06 1ily h VAL 97 N -0.95 0.01 0.00 2.04 2.07 -1.94 1.28 116.25 118.75 1ily h VAL 97 Ca -0.05 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ily h VAL 97 Cb 0.85 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ily h VAL 97 CO -0.10 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.78 1ily n LYS 98 N -5.28 0.00 -0.04 1.57 5.02 -0.53 0.68 118.16 119.58 1ily n LYS 98 Ca 0.36 0.24 0.02 0.00 -2.02 0.00 0.00 58.31 56.91 1ily n LYS 98 Cb 1.23 -1.18 0.36 0.00 -0.02 0.00 0.00 35.03 35.42 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ily h ALA 99 N -1.96 1.57 -0.10 7.82 0.00 -1.16 -2.07 119.26 123.37 1ily h ALA 99 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ily h ALA 99 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1ily h ALA 99 CO 0.00 0.36 -0.01 1.25 0.00 0.00 0.00 179.25 180.85 1ily h LEU 100 N 0.62 0.17 -1.47 0.00 6.46 0.16 -1.88 115.31 119.37 1ily h LEU 100 Ca 0.16 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1ily h LEU 100 Cb 0.04 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1ily h LEU 100 CO -0.03 0.46 0.08 0.00 -0.62 0.00 0.00 178.44 178.33 1ily h ALA 101 N 0.72 1.58 -0.24 1.25 0.00 0.53 -0.55 119.26 122.56 1ily h ALA 101 Ca 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1ily h ALA 101 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ily h ALA 101 CO 0.01 0.32 -0.08 0.93 0.00 0.00 0.00 179.25 180.43 1ily h GLU 102 N 0.42 0.47 -0.29 0.00 5.08 -1.25 0.44 114.58 119.46 1ily h GLU 102 Ca 0.10 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1ily h GLU 102 Cb 0.16 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1ily h GLU 102 CO -0.00 0.71 -0.43 0.78 -1.00 0.00 0.00 179.01 179.07 1ily h GLY 103 N 0.20 -0.64 1.39 -3.84 0.00 -0.51 8.59 103.07 108.26 1ily h GLY 103 Ca 0.06 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1ily h GLY 103 CO 0.03 -0.20 0.25 0.00 0.00 0.00 0.00 176.54 176.62 1ily h ALA 104 N 0.28 1.40 0.00 3.60 0.00 0.43 1.12 119.26 126.09 1ily h ALA 104 Ca 0.11 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 104 Cb 0.60 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ily h ALA 104 CO -0.50 0.47 -1.38 -0.09 0.00 0.00 0.00 179.25 177.75 1ily h ARG 105 N 0.79 0.00 0.03 0.00 9.65 0.16 0.40 114.38 125.40 1ily h ARG 105 Ca 0.19 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.84 1ily h ARG 105 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1ily h ARG 105 CO -0.02 0.55 -1.00 1.05 2.80 0.00 0.00 179.97 183.35 1ily h GLU 106 N 0.00 0.39 -0.08 0.20 4.11 1.87 -3.30 114.58 117.77 1ily h GLU 106 Ca -0.17 -0.45 -0.03 0.00 0.07 0.00 0.00 59.36 58.78 1ily h GLU 106 Cb 1.80 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 1ily h GLU 106 CO 0.08 1.13 -0.05 0.78 0.07 0.00 0.00 179.01 181.02 1ily h GLY 107 N 1.28 0.20 0.00 1.06 0.00 0.12 -3.47 103.07 102.25 1ily h GLY 107 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ily h GLY 107 CO 0.17 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.49 1ily n GLY 108 N 0.05 0.09 3.77 4.60 0.00 -1.10 -4.77 105.19 107.84 1ily n GLY 108 Ca -0.07 0.00 -0.39 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 0.00 4.26 -0.40 0.99 1.02 0.14 -4.66 118.68 120.03 1ily s LEU 109 Ca 0.00 2.33 0.02 0.00 0.02 0.00 0.00 54.13 56.50 1ily s LEU 109 Cb 0.00 -3.95 0.12 0.00 0.02 0.00 0.00 46.19 42.38 1ily s LEU 109 CO 0.00 -0.57 0.18 -1.61 0.02 0.00 0.00 176.35 174.37 1ily s GLU 110 N -2.15 1.25 0.00 1.70 8.01 0.55 -3.42 118.70 124.63 1ily s GLU 110 Ca 0.55 -1.83 0.00 0.00 0.01 0.00 0.00 54.97 53.70 1ily s GLU 110 Cb -0.31 -2.49 0.00 0.00 -4.31 0.00 0.00 34.13 27.02 1ily s GLU 110 CO 0.39 -1.08 0.50 1.97 0.01 0.00 0.00 175.26 177.05