#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 2.01 -0.20 6.15 1.02 -1.26 0.05 118.68 126.45 1ily s LEU 23 Ca 0.00 -0.47 -0.07 0.00 0.02 0.00 0.00 54.13 53.61 1ily s LEU 23 Cb 0.00 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.93 1ily s LEU 23 CO 0.00 0.19 0.06 -0.60 0.02 0.00 0.00 176.35 176.03 1ily s ARG 24 N 0.02 3.87 0.09 1.70 3.52 0.16 0.41 118.95 128.72 1ily s ARG 24 Ca -0.07 -0.39 -0.17 0.00 -0.13 0.00 0.00 55.73 54.96 1ily s ARG 24 Cb -0.14 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.94 1ily s ARG 24 CO 0.04 0.13 0.55 -1.17 -0.81 0.00 0.00 175.30 174.05 1ily s LEU 25 N 0.75 4.46 -0.20 -0.88 0.20 0.94 -0.74 118.68 123.22 1ily s LEU 25 Ca 0.03 1.19 -0.04 0.00 0.69 0.00 0.00 54.13 56.00 1ily s LEU 25 Cb -0.13 -2.99 0.08 0.00 -0.43 0.00 0.00 46.19 42.71 1ily s LEU 25 CO 0.02 0.22 0.15 -0.44 -0.29 0.00 0.00 176.35 176.02 1ily s SER 26 N -1.29 2.06 -0.21 3.68 0.01 0.52 -2.73 113.70 115.74 1ily s SER 26 Ca 0.31 -0.53 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 1ily s SER 26 Cb -0.18 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1ily s SER 26 CO 0.19 -0.35 0.34 0.54 0.41 0.00 0.00 173.24 174.36 1ily s VAL 27 N 2.21 5.24 0.00 3.43 0.11 -1.26 0.48 120.40 130.62 1ily s VAL 27 Ca 0.05 0.57 0.03 0.00 -2.93 0.00 0.00 61.98 59.71 1ily s VAL 27 Cb -0.16 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1ily s VAL 27 CO -0.14 0.28 -0.07 0.12 -3.33 0.00 0.00 175.10 171.96 1ily s PHE 28 N 1.21 2.87 -0.18 1.54 5.36 0.18 -4.93 117.98 124.03 1ily s PHE 28 Ca 0.16 -0.05 -0.06 0.00 -0.96 0.00 0.00 56.93 56.03 1ily s PHE 28 Cb -0.14 -1.60 0.09 0.00 -0.34 0.00 0.00 43.02 41.02 1ily s PHE 28 CO 0.07 0.37 0.36 0.50 -1.46 0.00 0.00 175.22 175.05 1ily s ARG 29 N -1.40 0.26 -0.14 10.12 6.06 -1.26 0.18 118.95 132.77 1ily s ARG 29 Ca 0.17 0.86 -0.11 0.00 -2.50 0.00 0.00 55.73 54.15 1ily s ARG 29 Cb -0.11 0.08 -0.24 0.00 0.06 0.00 0.00 34.95 34.74 1ily s ARG 29 CO 0.07 -0.32 0.34 0.66 -2.50 0.00 0.00 175.30 173.55 1ily h SER 30 N 8.22 0.30 0.00 -2.12 4.64 -1.94 -3.49 113.55 119.16 1ily h SER 30 Ca -0.16 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 1ily h SER 30 Cb 1.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1ily h SER 30 CO 0.15 1.75 0.00 -0.11 -0.87 0.00 0.00 176.83 177.75 1ily n LEU 31 N -3.77 -0.19 -0.03 5.97 7.94 -1.26 -4.93 117.00 120.73 1ily n LEU 31 Ca -0.32 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ily n LEU 31 Cb 0.94 0.46 0.00 0.00 0.53 0.00 0.00 43.42 45.35 1ily n LEU 31 CO 0.36 0.00 0.22 0.29 -1.11 0.00 0.00 177.39 177.15 1ily n LYS 32 N -2.63 0.40 -3.89 1.96 5.02 -1.26 -4.98 118.16 112.79 1ily n LYS 32 Ca 0.00 -0.46 -0.35 0.00 -2.02 0.00 0.00 58.31 55.48 1ily n LYS 32 Cb 0.00 -0.94 -0.14 0.00 -0.02 0.00 0.00 35.03 33.94 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ily s HIS 33 N -0.24 3.05 -0.33 2.13 3.76 -1.26 -4.77 115.29 117.62 1ily s HIS 33 Ca 0.01 -1.17 -0.08 0.00 -0.15 0.00 0.00 55.06 53.67 1ily s HIS 33 Cb 0.01 -2.13 0.02 0.00 1.11 0.00 0.00 32.58 31.59 1ily s HIS 33 CO 0.01 -0.62 0.13 -1.50 -0.85 0.00 0.00 174.74 171.91 1ily s ILE 34 N 1.43 4.19 -0.22 0.60 1.10 -1.26 -2.58 121.20 124.46 1ily s ILE 34 Ca 0.03 -0.78 -0.00 0.00 -0.51 0.00 0.00 60.65 59.39 1ily s ILE 34 Cb -0.16 -3.24 0.06 0.00 0.15 0.00 0.00 42.46 39.27 1ily s ILE 34 CO -0.02 -0.05 -0.04 -0.31 -2.11 0.00 0.00 174.94 172.41 1ily s TYR 35 N 1.51 2.03 -0.22 3.50 1.51 0.13 -2.71 117.35 123.11 1ily s TYR 35 Ca 0.02 -1.49 -0.14 0.00 -1.01 0.00 0.00 57.07 54.44 1ily s TYR 35 Cb -0.18 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1ily s TYR 35 CO 0.04 -0.72 0.33 0.00 -1.11 0.00 0.00 175.55 174.09 1ily s ALA 36 N 1.52 3.57 -0.29 3.71 0.00 -0.47 0.51 121.76 130.32 1ily s ALA 36 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1ily s ALA 36 Cb -0.18 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1ily s ALA 36 CO -0.07 -0.30 0.03 -1.14 0.00 0.00 0.00 175.76 174.28 1ily s GLN 37 N 1.29 2.83 -0.60 0.00 2.00 0.18 -2.06 119.66 123.30 1ily s GLN 37 Ca 0.15 -1.01 -0.18 0.00 -2.00 0.00 0.00 55.36 52.32 1ily s GLN 37 Cb -0.14 -3.23 0.12 0.00 0.80 0.00 0.00 33.01 30.55 1ily s GLN 37 CO 0.07 -0.49 0.67 0.42 -0.50 0.00 0.00 175.29 175.46 1ily s ILE 38 N 1.39 4.95 0.30 -2.34 -1.09 0.16 -0.35 121.20 124.22 1ily s ILE 38 Ca -0.00 -1.21 0.06 0.00 -2.23 0.00 0.00 60.65 57.26 1ily s ILE 38 Cb -0.18 -4.46 -0.02 0.00 -1.58 0.00 0.00 42.46 36.22 1ily s ILE 38 CO -0.00 -1.08 0.44 -0.63 -1.23 0.00 0.00 174.94 172.44 1ily s ILE 39 N 2.30 4.48 -0.36 2.92 1.09 0.08 -1.68 121.20 130.02 1ily s ILE 39 Ca 0.10 -0.98 -0.18 0.00 -1.10 0.00 0.00 60.65 58.49 1ily s ILE 39 Cb -0.24 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.59 1ily s ILE 39 CO 0.04 -0.22 0.51 -0.62 -0.10 0.00 0.00 174.94 174.55 1ily s ASP 40 N -4.11 6.30 -0.20 3.58 -1.08 0.28 0.39 116.67 121.83 1ily s ASP 40 Ca 0.41 -0.12 0.05 0.00 -0.52 0.00 0.00 52.55 52.37 1ily s ASP 40 Cb -0.09 -2.27 0.43 0.00 -1.46 0.00 0.00 42.92 39.53 1ily s ASP 40 CO 0.31 -0.51 1.39 -0.67 0.52 0.00 0.00 175.17 176.21 1ily n ASP 41 N 5.76 3.58 -0.07 -0.34 2.03 0.11 -2.53 116.55 125.09 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 0.32 -3.75 -0.67 2.13 -1.05 -4.68 120.64 112.85 1ily n GLU 42 Ca 0.26 0.12 -0.23 0.00 0.66 0.00 0.00 57.16 57.97 1ily n GLU 42 Cb 1.01 -1.07 -0.17 0.00 0.27 0.00 0.00 31.44 31.47 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 0.54 -0.97 5.31 3.01 -1.24 -5.04 119.74 119.07 1ily s LYS 43 Ca -0.20 0.05 -0.11 0.00 -1.01 0.00 0.00 55.97 54.69 1ily s LYS 43 Cb 0.07 -1.13 -0.31 0.00 -1.01 0.00 0.00 37.83 35.45 1ily s LYS 43 CO 0.27 -0.37 2.19 0.41 0.51 0.00 0.00 175.35 178.36 1ily n GLY 44 N 5.15 -0.45 2.62 -3.33 0.00 -1.21 -4.49 105.19 103.48 1ily n GLY 44 Ca -0.07 0.04 -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 2.00 -0.09 -0.29 1.61 1.01 -1.05 -4.95 120.40 118.64 1ily s VAL 45 Ca 1.27 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1ily s VAL 45 Cb -0.76 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1ily s VAL 45 CO 0.51 -0.17 1.44 -0.89 0.00 0.00 0.00 175.10 175.99 1ily s THR 46 N 2.15 3.93 -0.08 3.92 2.01 -1.26 0.10 115.64 126.41 1ily s THR 46 Ca 0.03 1.03 -0.06 0.00 0.31 0.00 0.00 61.69 63.00 1ily s THR 46 Cb -0.15 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1ily s THR 46 CO -0.08 -0.45 -0.11 0.18 -0.69 0.00 0.00 174.62 173.47 1ily n LEU 47 N 8.17 1.02 -4.32 4.42 4.32 -0.68 -4.94 117.00 125.00 1ily n LEU 47 Ca 0.17 0.43 -0.28 0.00 -0.02 0.00 0.00 56.01 56.30 1ily n LEU 47 Cb 0.46 -0.70 -0.14 0.00 -1.62 0.00 0.00 43.42 41.42 1ily n LEU 47 CO 0.65 -0.47 -0.55 -0.69 -1.22 0.00 0.00 177.39 175.11 1ily s VAL 48 N -1.75 1.99 -0.21 4.08 1.01 -0.91 -5.01 120.40 119.60 1ily s VAL 48 Ca -0.09 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1ily s VAL 48 Cb 0.01 -1.73 0.11 0.00 0.00 0.00 0.00 36.38 34.77 1ily s VAL 48 CO 0.14 0.24 0.36 -0.94 0.00 0.00 0.00 175.10 174.90 1ily s SER 49 N -1.41 0.19 0.16 3.32 1.04 -1.26 0.37 113.70 116.11 1ily s SER 49 Ca 0.11 0.50 0.07 0.00 0.48 0.00 0.00 55.95 57.11 1ily s SER 49 Cb -0.10 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 1ily s SER 49 CO 0.03 -0.27 -0.16 0.00 0.98 0.00 0.00 173.24 173.82 1ily s ALA 50 N 2.53 1.85 -0.07 5.32 0.00 -0.87 -4.99 121.76 125.53 1ily s ALA 50 Ca 0.06 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.40 1ily s ALA 50 Cb -0.14 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1ily s ALA 50 CO -0.13 0.15 0.34 -1.54 0.00 0.00 0.00 175.76 174.58 1ily s SER 51 N -2.77 -0.29 0.00 0.00 1.04 -1.26 -1.36 113.70 109.07 1ily s SER 51 Ca 0.15 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1ily s SER 51 Cb -0.04 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ily s SER 51 CO 0.05 -0.31 0.38 -1.20 0.98 0.00 0.00 173.24 173.14 1ily n SER 52 N 1.98 0.00 0.01 7.02 7.64 -1.10 -1.80 113.62 127.36 1ily n SER 52 Ca -0.18 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1ily n SER 52 Cb 0.57 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1ily n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ily n LEU 53 N -0.50 0.03 0.07 -3.43 -0.00 0.67 -2.67 117.00 111.17 1ily n LEU 53 Ca 0.00 0.49 -0.03 0.00 -0.00 0.00 0.00 56.01 56.47 1ily n LEU 53 Cb 0.00 -0.49 -0.02 0.00 -0.00 0.00 0.00 43.42 42.91 1ily n LEU 53 CO 0.00 -0.50 0.16 0.00 -0.00 0.00 0.00 177.39 177.05 1ily h ALA 54 N 1.91 -0.37 -0.05 1.47 0.00 -1.71 -3.37 119.26 117.14 1ily h ALA 54 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ily h ALA 54 Cb 0.04 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ily h ALA 54 CO 0.00 -0.35 -0.14 -0.07 0.00 0.00 0.00 179.25 178.69 1ily h LEU 55 N -0.59 -0.42 0.00 0.00 4.07 -1.22 -3.46 115.31 113.68 1ily h LEU 55 Ca -0.02 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1ily h LEU 55 Cb 0.17 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1ily h LEU 55 CO 0.04 -0.19 0.00 2.29 -1.08 0.00 0.00 178.44 179.50 1ily n LYS 56 N -5.28 0.00 -1.61 1.13 2.85 -1.18 -5.11 118.16 108.95 1ily n LYS 56 Ca -0.04 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.76 1ily n LYS 56 Cb 0.20 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.53 1ily n LYS 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ily n LEU 57 N 0.00 3.32 -4.14 -5.58 4.77 -1.09 -4.81 117.00 109.46 1ily n LEU 57 Ca 0.00 0.63 -0.38 0.00 -0.03 0.00 0.00 56.01 56.23 1ily n LEU 57 Cb 0.00 -1.44 -0.07 0.00 -2.33 0.00 0.00 43.42 39.58 1ily n LEU 57 CO 0.00 -0.31 0.26 -0.75 -1.33 0.00 0.00 177.39 175.26 1ily s LYS 58 N 5.21 3.10 0.53 3.23 2.20 -1.26 -0.23 119.74 132.52 1ily s LYS 58 Ca 0.97 -2.88 0.08 0.00 -0.36 0.00 0.00 55.97 53.78 1ily s LYS 58 Cb -0.56 -3.96 0.06 0.00 -1.51 0.00 0.00 37.83 31.86 1ily s LYS 58 CO 0.44 -1.23 0.73 0.20 -0.36 0.00 0.00 175.35 175.14 1ily s GLY 59 N 0.55 1.81 0.00 5.54 0.00 -1.26 -5.02 107.32 108.93 1ily s GLY 59 Ca 0.22 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1ily s GLY 59 CO -0.08 -1.56 0.00 0.70 0.00 0.00 0.00 173.10 172.16 1ily n ASN 60 N -2.16 0.00 -1.18 1.64 4.13 -1.26 -4.95 115.26 111.49 1ily n ASN 60 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1ily n ASN 60 Cb 0.61 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ily n LYS 61 N -1.84 2.88 -0.89 3.52 5.02 -1.26 -4.89 118.16 120.71 1ily n LYS 61 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1ily n LYS 61 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.00 2.88 -0.08 -0.18 -2.24 -1.26 -4.29 114.28 109.11 1ily n THR 62 Ca 0.00 -1.66 -0.08 0.00 -2.27 0.00 0.00 64.05 60.04 1ily n THR 62 Cb 0.00 -2.19 -0.03 0.00 -2.10 0.00 0.00 70.33 66.01 1ily n THR 62 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ily n GLU 63 N 3.62 0.49 0.17 -0.78 1.02 -1.26 -4.54 120.64 119.36 1ily n GLU 63 Ca 0.50 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 58.16 1ily n GLU 63 Cb 0.30 -1.59 0.11 0.00 -0.02 0.00 0.00 31.44 30.25 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ily h VAL 64 N -1.00 0.00 -0.59 2.62 2.07 -1.97 -3.37 116.25 114.00 1ily h VAL 64 Ca -0.04 -0.97 0.22 0.00 0.82 0.00 0.00 66.70 66.73 1ily h VAL 64 Cb 0.78 1.78 -0.11 0.00 -1.52 0.00 0.00 31.29 32.22 1ily h VAL 64 CO -0.03 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.78 1ily n ALA 65 N -2.11 0.51 0.33 1.67 0.00 -1.26 0.14 120.51 119.78 1ily n ALA 65 Ca 0.03 0.61 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 1ily n ALA 65 Cb 0.53 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.84 -0.58 0.00 2.43 -1.62 0.25 114.38 114.02 1ily h ARG 66 Ca 0.46 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.85 1ily h ARG 66 Cb 1.14 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1ily h ARG 66 CO -0.49 -0.56 0.69 1.96 -1.51 0.00 0.00 179.97 180.06 1ily h GLN 67 N -1.13 0.00 0.06 0.20 4.20 0.89 2.14 115.11 121.46 1ily h GLN 67 Ca -0.09 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1ily h GLN 67 CO 0.15 0.00 -1.09 -0.24 -0.67 0.00 0.00 178.83 176.98 1ily h VAL 68 N 0.00 1.55 0.00 -0.54 3.04 0.58 -2.44 116.25 118.45 1ily h VAL 68 Ca 0.27 -3.04 -0.15 0.00 -1.01 0.00 0.00 66.70 62.77 1ily h VAL 68 Cb 1.66 2.80 -0.02 0.00 -2.01 0.00 0.00 31.29 33.71 1ily h VAL 68 CO -0.00 0.88 -0.72 1.23 -1.01 0.00 0.00 177.57 177.95 1ily h GLY 69 N 2.00 0.00 1.31 3.17 0.00 0.53 -1.51 103.07 108.57 1ily h GLY 69 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 1ily h GLY 69 CO 0.17 0.00 -0.78 0.07 0.00 0.00 0.00 176.54 176.00 1ily h ARG 70 N 0.00 0.67 -0.14 4.80 -0.00 0.04 0.91 114.38 120.66 1ily h ARG 70 Ca -0.01 -0.56 -0.15 0.00 -0.00 0.00 0.00 59.98 59.26 1ily h ARG 70 Cb 1.54 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 31.62 1ily h ARG 70 CO 0.09 1.17 -0.56 0.00 -0.00 0.00 0.00 179.97 180.67 1ily h ALA 71 N 0.67 0.77 -0.02 0.08 0.00 -1.47 0.54 119.26 119.83 1ily h ALA 71 Ca -0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1ily h ALA 71 Cb 1.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ily h ALA 71 CO 0.15 0.70 -0.01 1.25 0.00 0.00 0.00 179.25 181.34 1ily h LEU 72 N 0.32 0.04 -1.54 0.00 6.46 -1.10 0.37 115.31 119.86 1ily h LEU 72 Ca 0.00 -0.46 -0.04 0.00 -0.12 0.00 0.00 57.88 57.26 1ily h LEU 72 Cb 1.09 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1ily h LEU 72 CO 0.10 0.49 -0.20 0.00 -0.62 0.00 0.00 178.44 178.21 1ily h ALA 73 N 0.55 1.21 0.02 1.25 0.00 0.79 0.61 119.26 123.69 1ily h ALA 73 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1ily h ALA 73 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ily h ALA 73 CO 0.00 0.25 -0.94 0.93 0.00 0.00 0.00 179.25 179.49 1ily h GLU 74 N 0.00 0.08 0.03 0.00 5.08 0.31 -1.63 114.58 118.45 1ily h GLU 74 Ca -0.00 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ily h GLU 74 Cb 0.53 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ily h GLU 74 CO 0.03 0.96 -0.01 0.87 -1.00 0.00 0.00 179.01 179.85 1ily h LYS 75 N 0.04 -0.03 -0.93 2.33 1.57 0.13 -2.83 116.57 116.84 1ily h LYS 75 Ca -0.03 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.02 1ily h LYS 75 Cb 1.63 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.80 1ily h LYS 75 CO 0.13 -0.02 0.31 0.00 -0.57 0.00 0.00 179.45 179.30 1ily h ALA 76 N -1.94 1.49 -0.96 3.86 0.00 0.03 1.10 119.26 122.83 1ily h ALA 76 Ca -0.00 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1ily h ALA 76 Cb 0.03 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1ily h ALA 76 CO 0.01 -0.54 0.62 -0.07 0.00 0.00 0.00 179.25 179.26 1ily h LEU 77 N 0.19 0.90 -2.09 0.00 3.38 -1.38 0.11 115.31 116.42 1ily h LEU 77 Ca 0.62 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.68 1ily h LEU 77 Cb 1.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ily h LEU 77 CO -0.69 0.51 0.33 0.00 0.09 0.00 0.00 178.44 178.69 1ily h ALA 78 N 1.53 1.73 0.00 1.53 0.00 0.15 0.95 119.26 125.16 1ily h ALA 78 Ca 0.46 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.15 1ily h ALA 78 Cb 0.42 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1ily h ALA 78 CO -0.22 -0.44 -1.46 -0.07 0.00 0.00 0.00 179.25 177.06 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.79 -3.48 115.31 114.42 1ily h LEU 79 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ily h LEU 79 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ily h LEU 79 CO -0.00 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1ily n GLY 80 N 1.44 1.39 3.57 0.83 0.00 0.33 -5.05 105.19 107.69 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 3.64 -0.23 -0.61 1.09 -0.95 -4.81 121.20 117.34 1ily s ILE 81 Ca 0.00 0.48 -0.17 0.00 -1.10 0.00 0.00 60.65 59.86 1ily s ILE 81 Cb 0.00 -4.34 -0.14 0.00 -1.06 0.00 0.00 42.46 36.92 1ily s ILE 81 CO 0.00 -1.18 -0.09 1.17 -0.10 0.00 0.00 174.94 174.74 1ily n LYS 82 N 8.93 0.56 -4.81 2.79 4.81 -1.26 -4.20 118.16 124.97 1ily n LYS 82 Ca 0.13 0.43 -0.33 0.00 -0.87 0.00 0.00 58.31 57.67 1ily n LYS 82 Cb 0.50 -1.62 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 1ily n LYS 82 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ily s GLN 83 N -2.45 2.95 0.30 1.64 -0.44 -1.26 0.18 119.66 120.58 1ily s GLN 83 Ca -0.31 -0.68 0.07 0.00 -2.50 0.00 0.00 55.36 51.95 1ily s GLN 83 Cb 0.09 -2.52 -0.06 0.00 -1.64 0.00 0.00 33.01 28.88 1ily s GLN 83 CO 0.50 0.43 -0.06 0.08 0.50 0.00 0.00 175.29 176.74 1ily s VAL 84 N -0.21 1.81 -0.38 1.34 1.01 -0.30 -4.31 120.40 119.35 1ily s VAL 84 Ca 0.01 -2.14 -0.06 0.00 0.00 0.00 0.00 61.98 59.79 1ily s VAL 84 Cb -0.13 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1ily s VAL 84 CO 0.03 -0.26 0.18 0.00 0.00 0.00 0.00 175.10 175.06 1ily s ALA 85 N -2.90 3.15 -0.57 5.51 0.00 0.17 -4.04 121.76 123.07 1ily s ALA 85 Ca 0.31 -2.11 -0.27 0.00 0.00 0.00 0.00 51.96 49.88 1ily s ALA 85 Cb 0.04 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.76 1ily s ALA 85 CO 0.13 -1.57 1.14 0.12 0.00 0.00 0.00 175.76 175.58 1ily s PHE 86 N 1.33 2.66 -0.32 0.00 5.36 -1.26 -0.04 117.98 125.71 1ily s PHE 86 Ca 0.02 0.34 0.13 0.00 -0.96 0.00 0.00 56.93 56.47 1ily s PHE 86 Cb -0.22 -4.42 0.47 0.00 -0.34 0.00 0.00 43.02 38.51 1ily s PHE 86 CO 0.00 -1.52 1.10 -3.47 -1.46 0.00 0.00 175.22 169.88 1ily n ASP 87 N 8.21 3.22 -0.34 6.13 -0.08 -1.11 -4.92 116.55 127.66 1ily n ASP 87 Ca 0.07 -3.04 0.11 0.00 -1.51 0.00 0.00 54.79 50.43 1ily n ASP 87 Cb 0.49 -0.44 0.23 0.00 2.34 0.00 0.00 41.12 43.73 1ily n ASP 87 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ily n ARG 88 N -0.50 -0.08 0.00 -0.67 1.85 -1.26 -4.92 116.66 111.08 1ily n ARG 88 Ca 0.25 1.48 0.00 0.00 -1.00 0.00 0.00 57.85 58.58 1ily n ARG 88 Cb 0.83 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 1ily n ARG 88 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ily n GLY 89 N -1.53 0.81 0.09 2.89 0.00 -1.26 -4.62 105.19 101.56 1ily n GLY 89 Ca 0.20 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 0.17 -1.80 1.61 -0.04 -1.26 -4.84 135.00 128.85 1ily n PRO 90 Ca 0.00 0.27 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 1ily n PRO 90 Cb 0.00 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 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 -3.16 2.66 0.10 0.54 1.51 -1.26 -5.02 117.35 112.71 1ily s TYR 91 Ca 0.08 1.02 0.04 0.00 -1.01 0.00 0.00 57.07 57.21 1ily s TYR 91 Cb 0.12 -4.04 -0.03 0.00 -0.11 0.00 0.00 41.96 37.90 1ily s TYR 91 CO 0.47 -3.21 -0.11 0.21 -1.11 0.00 0.00 175.55 171.80 1ily s LYS 92 N -1.47 0.86 -0.46 -0.62 2.47 -1.26 -4.95 119.74 114.31 1ily s LYS 92 Ca 0.57 -1.12 -0.43 0.00 -1.56 0.00 0.00 55.97 53.42 1ily s LYS 92 Cb -0.47 -0.64 -0.18 0.00 -1.46 0.00 0.00 37.83 35.08 1ily s LYS 92 CO 0.57 0.11 1.97 0.98 0.16 0.00 0.00 175.35 179.15 1ily n TYR 93 N 0.71 1.47 0.00 4.03 9.36 -1.26 -4.76 117.16 126.71 1ily n TYR 93 Ca -0.17 0.77 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1ily n TYR 93 Cb 0.57 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 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 6.74 0.00 0.00 2.98 -0.00 -1.26 -5.09 115.22 118.58 1ily n HIS 94 Ca 0.44 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1ily n HIS 94 Cb 0.01 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 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 2.65 -0.19 0.37 1.57 0.00 -1.26 -4.95 105.19 103.38 1ily n GLY 95 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.87 -0.86 1.61 2.47 -1.96 -3.12 114.38 111.64 1ily h ARG 96 Ca 0.00 0.06 0.35 0.00 -1.26 0.00 0.00 59.98 59.13 1ily h ARG 96 Cb 0.00 0.20 -0.14 0.00 -1.65 0.00 0.00 29.97 28.38 1ily h ARG 96 CO 0.00 -0.58 0.49 0.28 0.56 0.00 0.00 179.97 180.72 1ily n VAL 97 N -5.14 -0.31 0.00 2.04 0.31 -1.26 -0.45 118.33 113.52 1ily n VAL 97 Ca -0.11 1.59 0.00 0.00 -0.01 0.00 0.00 64.34 65.80 1ily n VAL 97 Cb 0.36 -2.58 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 -4.70 0.00 -0.25 5.55 4.01 -1.18 0.76 118.16 122.35 1ily n LYS 98 Ca 0.31 0.03 0.14 0.00 -0.51 0.00 0.00 58.31 58.28 1ily n LYS 98 Cb 1.08 -0.99 0.42 0.00 -0.51 0.00 0.00 35.03 35.02 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 1.93 -0.08 7.82 0.00 -1.50 -0.93 119.26 124.50 1ily h ALA 99 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ily h ALA 99 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ily h ALA 99 CO 0.00 -0.17 -0.05 1.25 0.00 0.00 0.00 179.25 180.27 1ily h LEU 100 N 0.60 0.18 -1.65 0.00 6.46 -0.79 -2.28 115.31 117.83 1ily h LEU 100 Ca 0.44 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1ily h LEU 100 Cb 0.81 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1ily h LEU 100 CO -0.19 0.59 -0.10 0.00 -0.62 0.00 0.00 178.44 178.12 1ily h ALA 101 N 0.60 1.72 -0.21 1.25 0.00 0.11 -0.85 119.26 121.87 1ily h ALA 101 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ily h ALA 101 Cb 0.53 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ily h ALA 101 CO 0.01 0.21 -0.16 0.93 0.00 0.00 0.00 179.25 180.25 1ily h GLU 102 N 0.09 0.48 -0.15 0.00 5.08 -1.13 0.51 114.58 119.47 1ily h GLU 102 Ca 0.02 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1ily h GLU 102 Cb 0.24 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 1ily h GLU 102 CO 0.01 0.80 -0.43 0.78 -1.00 0.00 0.00 179.01 179.18 1ily h GLY 103 N 0.17 -0.72 1.70 -3.84 0.00 -0.78 8.26 103.07 107.87 1ily h GLY 103 Ca 0.04 0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 1ily h GLY 103 CO 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 176.54 176.37 1ily h ALA 104 N 0.12 1.54 0.00 3.60 0.00 0.39 1.14 119.26 126.05 1ily h ALA 104 Ca 0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1ily h ALA 104 Cb 0.63 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1ily h ALA 104 CO -0.41 0.34 -1.59 0.00 0.00 0.00 0.00 179.25 177.58 1ily h ARG 105 N 0.37 0.00 0.03 0.00 3.08 0.16 0.41 114.38 118.43 1ily h ARG 105 Ca 0.09 -0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1ily h ARG 105 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1ily h ARG 105 CO 0.00 0.58 -0.98 1.05 -1.07 0.00 0.00 179.97 179.55 1ily h GLU 106 N 0.00 0.29 -0.08 0.04 4.11 1.80 -3.31 114.58 117.43 1ily h GLU 106 Ca -0.24 -0.35 -0.05 0.00 0.07 0.00 0.00 59.36 58.79 1ily h GLU 106 Cb 1.97 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1ily h GLU 106 CO 0.09 1.07 -0.14 0.78 0.07 0.00 0.00 179.01 180.88 1ily h GLY 107 N 1.58 0.26 0.00 1.06 0.00 0.12 -3.48 103.07 102.61 1ily h GLY 107 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1ily h GLY 107 CO 0.16 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1ily n GLY 108 N 0.40 0.06 3.78 4.60 0.00 -1.12 -4.73 105.19 108.18 1ily n GLY 108 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1ily n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ily s LEU 109 N 0.00 3.99 -0.43 0.99 1.02 0.14 -4.60 118.68 119.79 1ily s LEU 109 Ca 0.00 2.20 0.02 0.00 0.02 0.00 0.00 54.13 56.37 1ily s LEU 109 Cb 0.00 -4.31 0.13 0.00 0.02 0.00 0.00 46.19 42.03 1ily s LEU 109 CO 0.00 -0.87 0.21 -1.61 0.02 0.00 0.00 176.35 174.11 1ily s GLU 110 N -2.79 1.33 0.00 1.70 2.02 0.46 -3.65 118.70 117.78 1ily s GLU 110 Ca 0.64 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1ily s GLU 110 Cb -0.26 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1ily s GLU 110 CO 0.31 -1.12 0.43 1.97 0.02 0.00 0.00 175.26 176.87