#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 3.11 -0.22 6.15 1.02 -1.26 0.11 118.68 127.60 1ily s LEU 23 Ca 0.00 -0.11 -0.08 0.00 0.02 0.00 0.00 54.13 53.96 1ily s LEU 23 Cb 0.00 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 1ily s LEU 23 CO 0.00 0.26 0.08 -0.60 0.02 0.00 0.00 176.35 176.12 1ily s ARG 24 N -0.22 3.88 0.13 1.70 3.52 0.18 -0.13 118.95 128.01 1ily s ARG 24 Ca 0.03 -0.38 -0.16 0.00 -0.13 0.00 0.00 55.73 55.09 1ily s ARG 24 Cb -0.13 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1ily s ARG 24 CO 0.03 0.06 0.56 -1.17 -0.81 0.00 0.00 175.30 173.97 1ily s LEU 25 N 0.97 4.38 -0.22 -0.88 0.20 0.74 -0.79 118.68 123.09 1ily s LEU 25 Ca 0.05 1.14 -0.04 0.00 0.69 0.00 0.00 54.13 55.97 1ily s LEU 25 Cb -0.14 -3.20 0.10 0.00 -0.43 0.00 0.00 46.19 42.52 1ily s LEU 25 CO 0.03 0.14 0.23 -0.44 -0.29 0.00 0.00 176.35 176.02 1ily s SER 26 N -1.58 1.43 -0.26 3.68 0.01 0.13 -2.63 113.70 114.49 1ily s SER 26 Ca 0.36 -0.29 -0.10 0.00 1.31 0.00 0.00 55.95 57.23 1ily s SER 26 Cb -0.16 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 1ily s SER 26 CO 0.19 -0.34 0.14 0.54 0.41 0.00 0.00 173.24 174.19 1ily s VAL 27 N 2.33 5.00 -0.19 3.43 0.11 -1.26 0.65 120.40 130.48 1ily s VAL 27 Ca 0.07 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.11 1ily s VAL 27 Cb -0.16 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 1ily s VAL 27 CO -0.15 0.30 0.07 0.12 -3.33 0.00 0.00 175.10 172.11 1ily s PHE 28 N 1.51 3.25 -0.08 1.54 5.36 0.18 -4.88 117.98 124.86 1ily s PHE 28 Ca 0.07 0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1ily s PHE 28 Cb -0.15 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 40.47 1ily s PHE 28 CO 0.07 0.13 0.02 -0.98 -1.46 0.00 0.00 175.22 173.01 1ily s ARG 29 N 0.44 0.43 0.00 10.12 1.70 -1.26 0.25 118.95 130.62 1ily s ARG 29 Ca 0.03 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.40 1ily s ARG 29 Cb -0.12 -1.02 0.00 0.00 -0.57 0.00 0.00 34.95 33.24 1ily s ARG 29 CO 0.00 -0.36 0.00 0.43 -1.08 0.00 0.00 175.30 174.29 1ily n SER 30 N 5.18 0.00 0.11 -2.89 7.64 -1.24 -4.99 113.62 117.42 1ily n SER 30 Ca -0.06 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1ily n SER 30 Cb 0.50 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1ily n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ily n LEU 31 N -1.33 0.16 -0.12 -3.43 4.32 -1.26 -4.90 117.00 110.43 1ily n LEU 31 Ca 0.00 0.35 0.08 0.00 -0.02 0.00 0.00 56.01 56.43 1ily n LEU 31 Cb 0.00 0.19 0.13 0.00 -1.62 0.00 0.00 43.42 42.11 1ily n LEU 31 CO 0.00 -0.75 0.57 1.17 -1.22 0.00 0.00 177.39 177.16 1ily n LYS 32 N -3.38 1.67 -4.42 3.23 4.81 -1.26 -5.02 118.16 113.80 1ily n LYS 32 Ca 0.00 -2.42 -0.25 0.00 -0.87 0.00 0.00 58.31 54.77 1ily n LYS 32 Cb 0.00 -1.44 -0.09 0.00 0.02 0.00 0.00 35.03 33.51 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 -2.56 2.48 -0.23 5.64 3.76 -1.26 -4.57 115.29 118.54 1ily s HIS 33 Ca 0.28 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 1ily s HIS 33 Cb 0.24 -1.38 0.08 0.00 1.11 0.00 0.00 32.58 32.64 1ily s HIS 33 CO 0.03 0.55 0.54 -1.50 -0.85 0.00 0.00 174.74 173.51 1ily s ILE 34 N -2.54 -0.33 -0.17 0.60 1.10 -1.25 -3.69 121.20 114.91 1ily s ILE 34 Ca 0.33 0.06 -0.05 0.00 -0.51 0.00 0.00 60.65 60.49 1ily s ILE 34 Cb -0.00 -0.81 0.06 0.00 0.15 0.00 0.00 42.46 41.86 1ily s ILE 34 CO 0.18 0.03 0.11 -0.31 -2.11 0.00 0.00 174.94 172.84 1ily s TYR 35 N 2.00 0.11 -0.25 3.50 1.51 0.14 -2.91 117.35 121.45 1ily s TYR 35 Ca -0.07 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 1ily s TYR 35 Cb -0.09 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.10 1ily s TYR 35 CO -0.16 -0.52 0.43 0.00 -1.11 0.00 0.00 175.55 174.19 1ily s ALA 36 N 2.17 3.57 -0.23 3.71 0.00 -0.48 0.50 121.76 130.99 1ily s ALA 36 Ca 0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1ily s ALA 36 Cb -0.16 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1ily s ALA 36 CO -0.09 -0.59 -0.06 -1.14 0.00 0.00 0.00 175.76 173.87 1ily s GLN 37 N 1.95 3.05 -0.50 0.00 0.74 0.21 -1.87 119.66 123.24 1ily s GLN 37 Ca 0.18 -0.83 -0.15 0.00 0.05 0.00 0.00 55.36 54.61 1ily s GLN 37 Cb -0.15 -2.96 0.09 0.00 1.10 0.00 0.00 33.01 31.09 1ily s GLN 37 CO 0.09 -0.31 0.43 0.42 -0.55 0.00 0.00 175.29 175.37 1ily s ILE 38 N 1.38 5.19 0.28 -2.34 -1.09 0.15 0.22 121.20 125.00 1ily s ILE 38 Ca 0.03 -1.23 0.07 0.00 -2.23 0.00 0.00 60.65 57.29 1ily s ILE 38 Cb -0.15 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1ily s ILE 38 CO -0.05 -0.68 0.23 -0.63 -1.23 0.00 0.00 174.94 172.58 1ily s ILE 39 N 1.62 4.10 -0.36 2.92 1.09 0.03 -1.81 121.20 128.79 1ily s ILE 39 Ca 0.04 -1.39 -0.19 0.00 -1.10 0.00 0.00 60.65 58.01 1ily s ILE 39 Cb -0.26 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1ily s ILE 39 CO 0.05 -0.28 0.56 -0.62 -0.10 0.00 0.00 174.94 174.55 1ily s ASP 40 N -3.90 6.35 -0.19 3.58 2.15 0.28 0.47 116.67 125.41 1ily s ASP 40 Ca 0.36 -0.01 0.06 0.00 0.43 0.00 0.00 52.55 53.39 1ily s ASP 40 Cb -0.07 -2.29 0.47 0.00 -0.30 0.00 0.00 42.92 40.73 1ily s ASP 40 CO 0.26 -0.54 1.36 -0.67 -0.17 0.00 0.00 175.17 175.41 1ily n ASP 41 N 5.88 3.73 -0.07 -0.34 2.03 0.31 -2.50 116.55 125.58 1ily n ASP 41 Ca -0.03 -2.71 -0.15 0.00 0.52 0.00 0.00 54.79 52.42 1ily n ASP 41 Cb 0.49 -0.65 -0.06 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 0.07 0.32 -3.81 -0.67 2.13 -0.93 -4.68 120.64 113.08 1ily n GLU 42 Ca 0.24 0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.93 1ily n GLU 42 Cb 0.97 -1.09 -0.17 0.00 0.27 0.00 0.00 31.44 31.42 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 -2.28 0.92 -0.95 5.31 3.01 -1.24 -5.04 119.74 119.47 1ily s LYS 43 Ca -0.20 -0.12 -0.14 0.00 -1.01 0.00 0.00 55.97 54.50 1ily s LYS 43 Cb 0.07 -1.39 -0.29 0.00 -1.01 0.00 0.00 37.83 35.22 1ily s LYS 43 CO 0.28 -0.36 2.24 0.41 0.51 0.00 0.00 175.35 178.43 1ily n GLY 44 N 5.06 -0.41 2.63 -3.33 0.00 -1.21 -4.44 105.19 103.48 1ily n GLY 44 Ca -0.09 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 3.90 -0.05 -0.32 1.61 1.01 -1.04 -4.95 120.40 120.55 1ily s VAL 45 Ca 1.23 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 1ily s VAL 45 Cb -0.70 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1ily s VAL 45 CO 0.45 -0.17 1.24 -0.89 0.00 0.00 0.00 175.10 175.73 1ily s THR 46 N 2.13 4.23 -0.15 3.92 2.01 -1.26 0.99 115.64 127.50 1ily s THR 46 Ca 0.03 1.38 -0.12 0.00 0.31 0.00 0.00 61.69 63.28 1ily s THR 46 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1ily s THR 46 CO -0.08 -0.53 -0.24 0.18 -0.69 0.00 0.00 174.62 173.27 1ily n LEU 47 N 7.50 1.79 -4.27 4.42 4.32 -0.75 -4.95 117.00 125.05 1ily n LEU 47 Ca 0.14 0.50 -0.27 0.00 -0.02 0.00 0.00 56.01 56.36 1ily n LEU 47 Cb 0.47 -0.81 -0.14 0.00 -1.62 0.00 0.00 43.42 41.32 1ily n LEU 47 CO 0.63 -0.40 -0.53 -0.69 -1.22 0.00 0.00 177.39 175.18 1ily s VAL 48 N -2.46 1.76 -0.21 4.08 1.01 -0.94 -5.01 120.40 118.64 1ily s VAL 48 Ca -0.20 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1ily s VAL 48 Cb 0.03 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.99 1ily s VAL 48 CO 0.29 0.25 0.36 -0.94 0.00 0.00 0.00 175.10 175.06 1ily s SER 49 N -1.15 0.21 0.21 3.32 1.04 -1.26 0.32 113.70 116.39 1ily s SER 49 Ca 0.08 0.49 0.06 0.00 0.48 0.00 0.00 55.95 57.06 1ily s SER 49 Cb -0.09 1.05 -0.05 0.00 0.10 0.00 0.00 66.02 67.03 1ily s SER 49 CO 0.02 -0.27 -0.09 0.00 0.98 0.00 0.00 173.24 173.87 1ily s ALA 50 N 2.53 1.95 -0.08 5.32 0.00 -0.78 -5.00 121.76 125.69 1ily s ALA 50 Ca 0.06 -1.70 -0.14 0.00 0.00 0.00 0.00 51.96 50.18 1ily s ALA 50 Cb -0.14 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ily s ALA 50 CO -0.13 -0.05 0.35 -1.54 0.00 0.00 0.00 175.76 174.39 1ily s SER 51 N -3.32 -0.31 0.15 0.00 1.04 -1.26 -1.39 113.70 108.62 1ily s SER 51 Ca 0.24 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.96 1ily s SER 51 Cb 0.02 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1ily s SER 51 CO 0.07 -0.27 1.73 0.77 0.98 0.00 0.00 173.24 176.52 1ily h SER 52 N 4.81 0.01 0.44 7.02 4.64 -1.89 -0.44 113.55 128.15 1ily h SER 52 Ca -0.28 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1ily h SER 52 Cb 1.18 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ily h SER 52 CO 0.33 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1ily n LEU 53 N -5.09 0.00 -0.07 5.97 -0.00 -1.26 -2.07 117.00 114.48 1ily n LEU 53 Ca 0.00 0.40 -0.10 0.00 -0.00 0.00 0.00 56.01 56.31 1ily n LEU 53 Cb 0.14 -0.40 -0.07 0.00 -0.00 0.00 0.00 43.42 43.09 1ily n LEU 53 CO 0.26 -0.18 0.06 0.00 -0.00 0.00 0.00 177.39 177.53 1ily h ALA 54 N 2.67 0.04 -0.57 1.47 0.00 -1.32 -3.38 119.26 118.17 1ily h ALA 54 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ily h ALA 54 Cb 0.22 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1ily h ALA 54 CO 0.00 0.15 0.13 -0.07 0.00 0.00 0.00 179.25 179.46 1ily h LEU 55 N -1.00 0.03 0.00 0.00 4.07 -1.49 -3.44 115.31 113.47 1ily h LEU 55 Ca -0.05 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1ily h LEU 55 Cb 0.67 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1ily h LEU 55 CO -0.03 0.03 0.00 1.17 -1.08 0.00 0.00 178.44 178.53 1ily n LYS 56 N -5.11 0.00 -1.45 1.13 4.81 -1.23 -5.14 118.16 111.17 1ily n LYS 56 Ca 0.08 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 57.02 1ily n LYS 56 Cb 0.30 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.31 1ily n LYS 56 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ily n LEU 57 N 0.00 -0.51 0.00 3.14 0.00 -0.88 -4.89 117.00 113.86 1ily n LEU 57 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.15 1ily n LEU 57 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 43.42 42.42 1ily n LEU 57 CO 0.00 -2.51 -0.20 2.29 0.00 0.00 0.00 177.39 176.98 1ily n LYS 58 N 1.12 0.00 -3.51 1.96 2.85 -1.26 -4.18 118.16 115.14 1ily n LYS 58 Ca 0.17 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.16 1ily n LYS 58 Cb 0.23 -0.47 -0.09 0.00 -0.65 0.00 0.00 35.03 34.05 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 2.20 4.39 3.53 2.58 0.00 -1.26 -5.05 105.19 111.58 1ily n GLY 59 Ca 0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 46.02 43.36 1ily n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ily s ASN 60 N -2.06 -0.30 0.00 1.61 0.01 -1.26 -5.10 114.94 107.85 1ily s ASN 60 Ca 0.36 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1ily s ASN 60 Cb 0.10 0.32 0.00 0.00 0.41 0.00 0.00 41.25 42.08 1ily s ASN 60 CO -0.06 -0.52 0.00 2.29 -1.51 0.00 0.00 177.10 177.30 1ily n LYS 61 N -0.21 0.00 -0.32 -0.60 0.00 -1.26 -4.81 118.16 110.96 1ily n LYS 61 Ca -0.06 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.32 1ily n LYS 61 Cb 0.61 0.00 0.23 0.00 -0.00 0.00 0.00 35.03 35.87 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ily n THR 62 N -0.16 0.88 0.16 0.58 -2.24 -1.26 -4.20 114.28 108.04 1ily n THR 62 Ca 0.00 -0.71 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1ily n THR 62 Cb 0.00 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 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 2.84 -0.40 0.00 -0.78 4.57 -1.97 -3.13 114.58 115.72 1ily h GLU 63 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1ily h GLU 63 Cb 0.82 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1ily h GLU 63 CO 0.06 -0.27 -1.16 0.28 -1.18 0.00 0.00 179.01 176.75 1ily n VAL 64 N -5.30 0.23 -0.17 0.32 0.31 -1.26 -4.48 118.33 107.98 1ily n VAL 64 Ca -0.09 -0.33 0.13 0.00 -0.01 0.00 0.00 64.34 64.04 1ily n VAL 64 Cb 0.21 0.08 0.24 0.00 -0.91 0.00 0.00 33.84 33.47 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 -1.95 0.42 0.31 3.52 0.00 -1.18 0.15 120.51 121.78 1ily n ALA 65 Ca 0.01 0.55 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 1ily n ALA 65 Cb 0.47 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.73 0.00 2.43 -1.66 -0.53 114.38 113.09 1ily h ARG 66 Ca 0.39 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.83 1ily h ARG 66 Cb 0.95 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1ily h ARG 66 CO -0.44 -0.53 0.76 1.96 -1.51 0.00 0.00 179.97 180.21 1ily h GLN 67 N -1.17 0.00 0.04 0.20 4.20 0.11 1.33 115.11 119.83 1ily h GLN 67 Ca -0.08 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.35 1ily h GLN 67 Cb 0.63 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.43 1ily h GLN 67 CO 0.14 0.00 -1.11 -0.24 -0.67 0.00 0.00 178.83 176.95 1ily h VAL 68 N 0.00 1.30 -0.25 -0.54 3.04 0.52 -2.06 116.25 118.25 1ily h VAL 68 Ca 0.35 -2.37 -0.16 0.00 -1.01 0.00 0.00 66.70 63.51 1ily h VAL 68 Cb 1.86 2.50 -0.01 0.00 -2.01 0.00 0.00 31.29 33.64 1ily h VAL 68 CO -0.00 0.72 -0.48 1.23 -1.01 0.00 0.00 177.57 178.03 1ily h GLY 69 N 0.51 0.75 1.36 3.17 0.00 0.32 -1.37 103.07 107.80 1ily h GLY 69 Ca -0.14 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.31 1ily h GLY 69 CO 0.21 0.73 0.08 0.07 0.00 0.00 0.00 176.54 177.63 1ily h ARG 70 N 0.54 0.80 0.40 4.80 0.11 0.40 1.03 114.38 122.48 1ily h ARG 70 Ca 0.03 -0.18 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 1ily h ARG 70 Cb 1.03 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1ily h ARG 70 CO 0.10 0.76 -0.19 0.00 0.10 0.00 0.00 179.97 180.73 1ily h ALA 71 N 1.32 -0.54 -0.60 0.08 0.00 -1.10 0.52 119.26 118.94 1ily h ALA 71 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ily h ALA 71 Cb 0.35 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ily h ALA 71 CO 0.01 -0.71 0.21 1.37 0.00 0.00 0.00 179.25 180.13 1ily h LEU 72 N -0.74 0.87 -1.96 0.00 8.10 -1.05 -0.10 115.31 120.43 1ily h LEU 72 Ca -0.06 -0.20 -0.02 0.00 0.11 0.00 0.00 57.88 57.72 1ily h LEU 72 Cb 0.52 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.51 1ily h LEU 72 CO 0.09 0.83 -0.09 0.00 -4.11 0.00 0.00 178.44 175.16 1ily h ALA 73 N 1.07 1.61 0.00 0.17 0.00 0.12 0.72 119.26 122.95 1ily h ALA 73 Ca 0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1ily h ALA 73 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ily h ALA 73 CO -0.01 0.12 -0.50 1.49 0.00 0.00 0.00 179.25 180.35 1ily h GLU 74 N 0.00 0.00 0.00 0.00 4.81 0.14 -1.76 114.58 117.77 1ily h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ily h GLU 74 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ily h GLU 74 CO 0.01 0.50 -0.09 0.87 -0.73 0.00 0.00 179.01 179.57 1ily h LYS 75 N 0.00 0.00 -0.90 1.92 1.57 0.10 -3.12 116.57 116.14 1ily h LYS 75 Ca -0.00 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.02 1ily h LYS 75 Cb 1.29 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.46 1ily h LYS 75 CO 0.06 0.00 0.33 0.00 -0.57 0.00 0.00 179.45 179.28 1ily h ALA 76 N -1.21 1.43 -0.99 3.86 0.00 0.18 1.08 119.26 123.61 1ily h ALA 76 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1ily h ALA 76 Cb 0.09 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1ily h ALA 76 CO 0.00 -0.45 0.63 -0.07 0.00 0.00 0.00 179.25 179.36 1ily h LEU 77 N 0.28 0.96 -2.02 0.00 3.38 -1.45 0.59 115.31 117.04 1ily h LEU 77 Ca 0.58 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.65 1ily h LEU 77 Cb 1.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ily h LEU 77 CO -0.61 0.56 0.38 0.00 0.09 0.00 0.00 178.44 178.86 1ily h ALA 78 N 1.51 1.83 0.00 1.53 0.00 0.13 1.06 119.26 125.32 1ily h ALA 78 Ca 0.46 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 1ily h ALA 78 Cb 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ily h ALA 78 CO -0.21 -0.51 -1.45 -0.07 0.00 0.00 0.00 179.25 177.01 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.85 -3.48 115.31 114.36 1ily h LEU 79 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ily h LEU 79 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ily h LEU 79 CO -0.00 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1ily n GLY 80 N 1.43 1.38 3.58 0.83 0.00 0.36 -5.05 105.19 107.73 1ily n GLY 80 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 3.46 -0.13 -0.61 1.09 -0.92 -4.83 121.20 117.26 1ily s ILE 81 Ca 0.00 0.41 -0.10 0.00 -1.10 0.00 0.00 60.65 59.86 1ily s ILE 81 Cb 0.00 -3.79 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 1ily s ILE 81 CO 0.00 -0.61 -0.19 1.17 -0.10 0.00 0.00 174.94 175.20 1ily n LYS 82 N 8.68 0.42 -4.29 2.79 4.81 -1.26 -4.22 118.16 125.09 1ily n LYS 82 Ca 0.22 0.43 -0.32 0.00 -0.87 0.00 0.00 58.31 57.77 1ily n LYS 82 Cb 0.49 -1.53 -0.09 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.25 2.60 0.23 1.64 1.11 -1.26 0.23 119.66 121.96 1ily s GLN 83 Ca -0.16 -0.73 0.03 0.00 0.01 0.00 0.00 55.36 54.51 1ily s GLN 83 Cb 0.02 -2.56 -0.05 0.00 -1.01 0.00 0.00 33.01 29.41 1ily s GLN 83 CO 0.24 0.59 0.00 0.08 0.01 0.00 0.00 175.29 176.21 1ily s VAL 84 N -1.13 0.97 -0.41 1.09 1.01 0.53 -4.45 120.40 118.01 1ily s VAL 84 Ca 0.21 -2.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.08 1ily s VAL 84 Cb -0.11 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1ily s VAL 84 CO 0.12 -0.32 0.23 0.00 0.00 0.00 0.00 175.10 175.13 1ily s ALA 85 N -3.47 3.23 -0.54 5.51 0.00 0.81 -4.13 121.76 123.18 1ily s ALA 85 Ca 0.29 -2.16 -0.27 0.00 0.00 0.00 0.00 51.96 49.81 1ily s ALA 85 Cb 0.06 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.65 1ily s ALA 85 CO 0.09 -1.63 1.12 0.12 0.00 0.00 0.00 175.76 175.45 1ily s PHE 86 N 1.38 2.71 -0.28 0.00 5.36 -1.26 -0.18 117.98 125.71 1ily s PHE 86 Ca 0.03 0.41 0.09 0.00 -0.96 0.00 0.00 56.93 56.50 1ily s PHE 86 Cb -0.23 -4.38 0.46 0.00 -0.34 0.00 0.00 43.02 38.53 1ily s PHE 86 CO 0.01 -1.44 1.18 -3.47 -1.46 0.00 0.00 175.22 170.05 1ily n ASP 87 N 8.04 4.23 -0.57 6.13 -0.08 -1.08 -4.85 116.55 128.36 1ily n ASP 87 Ca 0.08 -3.57 0.46 0.00 -1.51 0.00 0.00 54.79 50.25 1ily n ASP 87 Cb 0.49 -0.37 0.74 0.00 2.34 0.00 0.00 41.12 44.32 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1ily h ARG 88 N 2.09 0.01 0.00 -0.67 0.11 -1.89 -3.47 114.38 110.56 1ily h ARG 88 Ca 0.27 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1ily h ARG 88 Cb 1.46 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.54 1ily h ARG 88 CO 0.62 0.01 0.00 0.41 0.10 0.00 0.00 179.97 181.11 1ily n GLY 89 N -1.70 0.32 2.10 0.08 0.00 -1.26 -4.70 105.19 100.03 1ily n GLY 89 Ca 0.42 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 1.98 -3.75 1.61 -0.04 -1.26 -4.93 135.00 128.62 1ily n PRO 90 Ca 0.00 -1.65 -0.28 0.00 -0.04 0.00 0.00 63.50 61.53 1ily n PRO 90 Cb 0.00 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.27 3.49 0.11 0.54 1.51 -1.26 -5.12 117.35 115.35 1ily s TYR 91 Ca 0.43 0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.87 1ily s TYR 91 Cb 0.28 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1ily s TYR 91 CO -0.09 0.42 -0.12 0.21 -1.11 0.00 0.00 175.55 174.87 1ily s LYS 92 N -3.17 0.92 -0.72 -0.62 2.47 -1.26 -5.06 119.74 112.30 1ily s LYS 92 Ca 0.38 -1.18 -0.30 0.00 -1.56 0.00 0.00 55.97 53.32 1ily s LYS 92 Cb -0.11 -0.71 -0.15 0.00 -1.46 0.00 0.00 37.83 35.40 1ily s LYS 92 CO 0.28 0.13 2.53 0.98 0.16 0.00 0.00 175.35 179.43 1ily n TYR 93 N 0.60 1.03 0.00 4.03 9.36 -1.26 -4.80 117.16 126.12 1ily n TYR 93 Ca -0.16 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.33 1ily n TYR 93 Cb 0.57 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.78 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 12.67 0.00 0.00 2.98 -0.00 -1.26 -5.10 115.22 124.52 1ily n HIS 94 Ca 0.52 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.70 1ily n HIS 94 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 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 5.00 0.00 0.00 1.57 0.00 -1.26 -4.82 105.19 105.68 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 -1.71 0.00 -0.50 1.61 3.00 -1.26 -3.37 116.66 114.43 1ily n ARG 96 Ca 0.00 0.45 0.39 0.00 -0.01 0.00 0.00 57.85 58.68 1ily n ARG 96 Cb 0.22 -1.25 0.63 0.00 0.00 0.00 0.00 32.46 32.06 1ily n ARG 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ily n VAL 97 N -1.84 -0.09 0.00 1.55 0.31 -1.26 -1.44 118.33 115.55 1ily n VAL 97 Ca 0.00 1.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.68 1ily n VAL 97 Cb 0.00 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.70 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 -3.93 0.00 -0.33 5.55 4.01 -1.22 0.90 118.16 123.14 1ily n LYS 98 Ca 0.35 0.00 0.25 0.00 -0.51 0.00 0.00 58.31 58.40 1ily n LYS 98 Cb 1.51 -0.80 0.48 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 1.91 -0.05 7.82 0.00 -1.40 0.33 119.26 125.87 1ily h ALA 99 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ily h ALA 99 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ily h ALA 99 CO 0.00 -0.68 -0.05 1.25 0.00 0.00 0.00 179.25 179.78 1ily h LEU 100 N 0.20 0.12 -1.93 0.00 6.46 -1.27 -2.25 115.31 116.64 1ily h LEU 100 Ca 0.74 -0.49 0.13 0.00 -0.12 0.00 0.00 57.88 58.15 1ily h LEU 100 Cb 1.77 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.64 1ily h LEU 100 CO -0.68 0.59 0.36 0.00 -0.62 0.00 0.00 178.44 178.09 1ily h ALA 101 N 0.54 2.38 -0.08 1.25 0.00 0.43 0.35 119.26 124.12 1ily h ALA 101 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ily h ALA 101 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ily h ALA 101 CO 0.01 -0.51 -0.18 0.93 0.00 0.00 0.00 179.25 179.50 1ily h GLU 102 N 0.07 0.26 -0.37 0.00 5.08 -0.94 0.50 114.58 119.18 1ily h GLU 102 Ca 0.24 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1ily h GLU 102 Cb 0.86 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 1ily h GLU 102 CO -0.02 0.77 -0.45 0.78 -1.00 0.00 0.00 179.01 179.10 1ily h GLY 103 N -0.21 -0.64 1.25 -3.84 0.00 0.08 10.95 103.07 110.66 1ily h GLY 103 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 1ily h GLY 103 CO 0.04 -0.18 0.26 0.00 0.00 0.00 0.00 176.54 176.66 1ily h ALA 104 N 0.32 1.23 0.06 3.60 0.00 -0.03 0.79 119.26 125.22 1ily h ALA 104 Ca 0.12 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1ily h ALA 104 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ily h ALA 104 CO -0.56 0.57 -1.50 -0.09 0.00 0.00 0.00 179.25 177.67 1ily h ARG 105 N 0.94 0.13 -0.28 0.00 9.65 0.17 0.42 114.38 125.41 1ily h ARG 105 Ca 0.22 -0.22 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 1ily h ARG 105 Cb 0.18 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1ily h ARG 105 CO -0.02 0.92 -0.43 1.05 2.80 0.00 0.00 179.97 184.29 1ily h GLU 106 N 0.03 0.71 0.01 0.20 4.11 2.43 -3.19 114.58 118.87 1ily h GLU 106 Ca -0.22 -0.38 -0.00 0.00 0.07 0.00 0.00 59.36 58.83 1ily h GLU 106 Cb 1.96 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1ily h GLU 106 CO 0.13 1.00 -0.00 0.78 0.07 0.00 0.00 179.01 180.98 1ily h GLY 107 N 0.94 -0.01 0.00 1.06 0.00 0.48 -3.48 103.07 102.07 1ily h GLY 107 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1ily h GLY 107 CO 0.09 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1ily n GLY 108 N 0.02 0.08 3.77 4.60 0.00 -1.02 -4.78 105.19 107.86 1ily n GLY 108 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 4.16 -0.36 0.99 1.02 0.15 -4.64 118.68 119.99 1ily s LEU 109 Ca 0.00 2.28 0.01 0.00 0.02 0.00 0.00 54.13 56.44 1ily s LEU 109 Cb 0.00 -4.08 0.11 0.00 0.02 0.00 0.00 46.19 42.25 1ily s LEU 109 CO 0.00 -0.67 0.13 -1.61 0.02 0.00 0.00 176.35 174.23 1ily s GLU 110 N -2.37 1.11 0.00 1.70 8.01 0.61 -3.47 118.70 124.29 1ily s GLU 110 Ca 0.58 -1.59 0.00 0.00 0.01 0.00 0.00 54.97 53.97 1ily s GLU 110 Cb -0.29 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.10 1ily s GLU 110 CO 0.36 -1.03 0.47 1.97 0.01 0.00 0.00 175.26 177.04