#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 3.76 -0.18 6.15 1.43 -1.26 0.13 118.68 128.71 1ily s LEU 23 Ca 0.00 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1ily s LEU 23 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1ily s LEU 23 CO 0.00 0.26 0.04 0.00 0.23 0.00 0.00 176.35 176.88 1ily s ARG 24 N -0.17 3.87 0.09 1.70 1.04 0.16 -1.29 118.95 124.35 1ily s ARG 24 Ca 0.07 -0.40 -0.18 0.00 -1.04 0.00 0.00 55.73 54.17 1ily s ARG 24 Cb -0.12 -3.14 -0.07 0.00 -2.04 0.00 0.00 34.95 29.58 1ily s ARG 24 CO 0.01 0.23 0.57 -1.17 -0.04 0.00 0.00 175.30 174.90 1ily s LEU 25 N 0.47 4.48 -0.22 -1.89 0.20 0.89 -1.11 118.68 121.50 1ily s LEU 25 Ca 0.01 1.22 -0.04 0.00 0.69 0.00 0.00 54.13 56.02 1ily s LEU 25 Cb -0.13 -3.00 0.10 0.00 -0.43 0.00 0.00 46.19 42.73 1ily s LEU 25 CO 0.01 0.23 0.21 -0.94 -0.29 0.00 0.00 176.35 175.58 1ily s SER 26 N -1.26 1.60 -0.20 3.68 1.04 0.11 -2.18 113.70 116.48 1ily s SER 26 Ca 0.31 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1ily s SER 26 Cb -0.18 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 1ily s SER 26 CO 0.19 -0.34 0.27 0.54 0.98 0.00 0.00 173.24 174.88 1ily s VAL 27 N 2.30 5.30 -0.05 5.02 0.11 -1.26 0.57 120.40 132.39 1ily s VAL 27 Ca 0.07 0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.59 1ily s VAL 27 Cb -0.16 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1ily s VAL 27 CO -0.16 0.33 -0.05 0.12 -3.33 0.00 0.00 175.10 172.02 1ily s PHE 28 N 0.91 2.97 -0.18 1.54 5.36 0.20 -4.85 117.98 123.93 1ily s PHE 28 Ca 0.14 0.04 -0.06 0.00 -0.96 0.00 0.00 56.93 56.09 1ily s PHE 28 Cb -0.13 -1.69 0.09 0.00 -0.34 0.00 0.00 43.02 40.94 1ily s PHE 28 CO 0.05 0.38 0.36 1.03 -1.46 0.00 0.00 175.22 175.57 1ily s ARG 29 N -1.05 0.26 -0.14 10.12 0.52 -1.26 -0.07 118.95 127.33 1ily s ARG 29 Ca 0.14 0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 56.11 1ily s ARG 29 Cb -0.11 0.09 -0.25 0.00 0.52 0.00 0.00 34.95 35.20 1ily s ARG 29 CO 0.04 -0.31 0.35 0.66 0.02 0.00 0.00 175.30 176.05 1ily h SER 30 N 8.22 0.32 0.00 0.23 4.64 -1.95 -3.49 113.55 121.52 1ily h SER 30 Ca -0.16 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.32 1ily h SER 30 Cb 1.12 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1ily h SER 30 CO 0.14 1.77 0.00 -0.11 -0.87 0.00 0.00 176.83 177.76 1ily n LEU 31 N -3.73 -0.00 -0.01 5.97 0.00 -1.26 -4.94 117.00 113.03 1ily n LEU 31 Ca -0.32 0.20 0.00 0.00 0.00 0.00 0.00 56.01 55.90 1ily n LEU 31 Cb 0.96 0.20 -0.00 0.00 0.00 0.00 0.00 43.42 44.58 1ily n LEU 31 CO 0.37 -0.00 0.09 1.17 0.00 0.00 0.00 177.39 179.02 1ily n LYS 32 N -2.40 4.23 -3.80 1.96 4.81 -1.26 -4.98 118.16 116.73 1ily n LYS 32 Ca 0.00 -0.18 -0.37 0.00 -0.87 0.00 0.00 58.31 56.89 1ily n LYS 32 Cb 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 35.03 34.23 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1ily s HIS 33 N -0.74 3.10 -0.15 5.64 3.76 -1.26 -4.33 115.29 121.31 1ily s HIS 33 Ca 0.01 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 53.93 1ily s HIS 33 Cb 0.01 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1ily s HIS 33 CO 0.02 -0.55 0.03 -1.50 -0.85 0.00 0.00 174.74 171.90 1ily s ILE 34 N 1.50 4.55 -0.22 0.60 1.10 -1.26 -2.77 121.20 124.70 1ily s ILE 34 Ca 0.03 -0.13 -0.03 0.00 -0.51 0.00 0.00 60.65 60.01 1ily s ILE 34 Cb -0.16 -3.01 0.11 0.00 0.15 0.00 0.00 42.46 39.55 1ily s ILE 34 CO 0.01 0.51 0.27 -0.31 -2.11 0.00 0.00 174.94 173.31 1ily s TYR 35 N 0.03 -0.43 -0.19 3.50 1.51 0.90 -3.44 117.35 119.22 1ily s TYR 35 Ca 0.04 0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 56.28 1ily s TYR 35 Cb -0.12 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1ily s TYR 35 CO 0.01 -0.66 0.44 0.00 -1.11 0.00 0.00 175.55 174.23 1ily s ALA 36 N 2.39 3.55 -0.27 3.71 0.00 -0.64 0.58 121.76 131.07 1ily s ALA 36 Ca 0.09 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1ily s ALA 36 Cb -0.16 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.32 1ily s ALA 36 CO -0.15 -0.31 -0.02 -1.14 0.00 0.00 0.00 175.76 174.15 1ily s GLN 37 N 1.32 2.75 -0.52 0.00 0.74 0.19 -2.00 119.66 122.15 1ily s GLN 37 Ca 0.21 -1.05 -0.17 0.00 0.05 0.00 0.00 55.36 54.40 1ily s GLN 37 Cb -0.15 -3.11 0.09 0.00 1.10 0.00 0.00 33.01 30.94 1ily s GLN 37 CO 0.09 -0.48 0.53 0.42 -0.55 0.00 0.00 175.29 175.29 1ily s ILE 38 N 1.33 5.08 0.28 -2.34 -1.09 0.15 0.04 121.20 124.65 1ily s ILE 38 Ca -0.01 -1.05 0.08 0.00 -2.23 0.00 0.00 60.65 57.44 1ily s ILE 38 Cb -0.18 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 1ily s ILE 38 CO -0.02 -0.80 0.17 -0.63 -1.23 0.00 0.00 174.94 172.43 1ily s ILE 39 N 2.02 3.99 -0.35 2.92 1.09 -0.26 -1.97 121.20 128.65 1ily s ILE 39 Ca 0.07 -1.52 -0.21 0.00 -1.10 0.00 0.00 60.65 57.89 1ily s ILE 39 Cb -0.25 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 1ily s ILE 39 CO 0.07 -0.31 0.69 -0.62 -0.10 0.00 0.00 174.94 174.66 1ily s ASP 40 N -3.84 6.49 -0.20 3.58 -1.08 0.25 0.36 116.67 122.23 1ily s ASP 40 Ca 0.34 0.28 0.06 0.00 -0.52 0.00 0.00 52.55 52.72 1ily s ASP 40 Cb -0.07 -2.35 0.47 0.00 -1.46 0.00 0.00 42.92 39.51 1ily s ASP 40 CO 0.24 -0.62 1.39 -0.67 0.52 0.00 0.00 175.17 176.03 1ily n ASP 41 N 6.14 3.75 -0.07 -0.34 2.03 0.35 -2.53 116.55 125.88 1ily n ASP 41 Ca 0.00 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.43 1ily n ASP 41 Cb 0.48 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 40.17 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 0.02 0.32 -3.80 -0.67 2.13 -1.03 -4.53 120.64 113.08 1ily n GLU 42 Ca 0.25 0.12 -0.25 0.00 0.66 0.00 0.00 57.16 57.95 1ily n GLU 42 Cb 1.00 -1.08 -0.17 0.00 0.27 0.00 0.00 31.44 31.46 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 0.88 -0.94 5.31 1.02 -1.24 -5.02 119.74 117.48 1ily s LYS 43 Ca -0.20 -0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1ily s LYS 43 Cb 0.07 -1.36 -0.29 0.00 -0.52 0.00 0.00 37.83 35.73 1ily s LYS 43 CO 0.27 -0.36 2.20 0.41 -0.92 0.00 0.00 175.35 176.96 1ily n GLY 44 N 5.07 -0.41 2.67 -3.33 0.00 -1.21 -4.44 105.19 103.53 1ily n GLY 44 Ca -0.09 0.07 -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 3.71 0.14 -0.20 1.61 1.01 -1.05 -4.95 120.40 120.67 1ily s VAL 45 Ca 1.21 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 1ily s VAL 45 Cb -0.66 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1ily s VAL 45 CO 0.44 -0.13 1.22 -0.89 0.00 0.00 0.00 175.10 175.74 1ily s THR 46 N 2.04 4.34 -0.20 3.92 2.01 -1.26 0.85 115.64 127.34 1ily s THR 46 Ca 0.02 1.61 -0.16 0.00 0.31 0.00 0.00 61.69 63.47 1ily s THR 46 Cb -0.15 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 1ily s THR 46 CO -0.07 -0.20 -0.34 0.18 -0.69 0.00 0.00 174.62 173.49 1ily n LEU 47 N 6.71 1.90 -4.18 4.42 4.32 -0.83 -4.95 117.00 124.38 1ily n LEU 47 Ca 0.14 0.32 -0.24 0.00 -0.02 0.00 0.00 56.01 56.21 1ily n LEU 47 Cb 0.45 -0.74 -0.15 0.00 -1.62 0.00 0.00 43.42 41.36 1ily n LEU 47 CO 0.56 -0.02 -0.50 -0.69 -1.22 0.00 0.00 177.39 175.52 1ily s VAL 48 N -2.75 1.41 -0.21 4.08 1.01 -0.96 -5.02 120.40 117.96 1ily s VAL 48 Ca -0.31 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 1ily s VAL 48 Cb 0.07 -1.20 0.10 0.00 0.00 0.00 0.00 36.38 35.36 1ily s VAL 48 CO 0.43 0.28 0.36 -0.94 0.00 0.00 0.00 175.10 175.24 1ily s SER 49 N -0.71 0.17 0.30 3.32 1.04 -1.26 0.32 113.70 116.87 1ily s SER 49 Ca 0.06 0.53 0.08 0.00 0.48 0.00 0.00 55.95 57.10 1ily s SER 49 Cb -0.07 1.08 -0.06 0.00 0.10 0.00 0.00 66.02 67.06 1ily s SER 49 CO 0.00 -0.27 -0.10 0.00 0.98 0.00 0.00 173.24 173.86 1ily s ALA 50 N 2.53 2.59 -0.10 5.32 0.00 -0.85 -4.97 121.76 126.28 1ily s ALA 50 Ca 0.05 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 1ily s ALA 50 Cb -0.14 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.05 1ily s ALA 50 CO -0.13 0.04 0.23 -1.54 0.00 0.00 0.00 175.76 174.36 1ily s SER 51 N -3.50 -0.03 0.22 0.00 1.04 -1.26 -1.62 113.70 108.55 1ily s SER 51 Ca 0.30 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.15 1ily s SER 51 Cb 0.02 0.44 0.27 0.00 0.10 0.00 0.00 66.02 66.85 1ily s SER 51 CO 0.13 -0.19 1.81 0.77 0.98 0.00 0.00 173.24 176.74 1ily h SER 52 N 7.55 0.56 0.13 7.02 4.64 -1.92 -1.01 113.55 130.51 1ily h SER 52 Ca -0.33 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1ily h SER 52 Cb 1.14 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ily h SER 52 CO 0.31 0.35 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 1ily n LEU 53 N -4.79 0.03 -0.07 5.97 -0.00 -1.26 -2.24 117.00 114.64 1ily n LEU 53 Ca 0.09 0.51 -0.10 0.00 -0.00 0.00 0.00 56.01 56.52 1ily n LEU 53 Cb 0.19 -0.52 -0.07 0.00 -0.00 0.00 0.00 43.42 43.03 1ily n LEU 53 CO 0.28 -0.46 -0.06 0.00 -0.00 0.00 0.00 177.39 177.15 1ily h ALA 54 N 2.12 0.06 -0.70 1.47 0.00 -1.40 -3.38 119.26 117.43 1ily h ALA 54 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 54.91 54.50 1ily h ALA 54 Cb 0.06 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1ily h ALA 54 CO 0.00 0.26 0.28 -0.07 0.00 0.00 0.00 179.25 179.71 1ily h LEU 55 N -1.00 0.28 0.00 0.00 4.07 -1.53 -3.44 115.31 113.69 1ily h LEU 55 Ca -0.08 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ily h LEU 55 Cb 0.70 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1ily h LEU 55 CO -0.05 0.13 0.00 1.17 -1.08 0.00 0.00 178.44 178.62 1ily n LYS 56 N -4.99 0.00 -1.17 1.13 4.81 -1.19 -5.15 118.16 111.61 1ily n LYS 56 Ca 0.12 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.19 1ily n LYS 56 Cb 0.35 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.44 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 -2.87 -0.72 3.14 0.00 -0.95 -4.93 117.00 110.67 1ily n LEU 57 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 56.01 56.55 1ily n LEU 57 Cb 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 43.42 42.55 1ily n LEU 57 CO 0.00 -4.60 0.28 0.29 0.00 0.00 0.00 177.39 173.36 1ily n LYS 58 N 1.01 0.60 -2.42 1.96 4.01 -1.26 -4.16 118.16 117.90 1ily n LYS 58 Ca 0.06 -2.11 -0.05 0.00 -0.51 0.00 0.00 58.31 55.70 1ily n LYS 58 Cb 0.51 -0.80 0.02 0.00 -0.51 0.00 0.00 35.03 34.25 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ily n GLY 59 N -0.39 -0.46 0.24 0.72 0.00 -1.26 -5.01 105.19 99.03 1ily n GLY 59 Ca 0.09 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 1ily n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ily n ASN 60 N -2.04 1.78 0.00 1.61 4.13 -1.26 -5.00 115.26 114.48 1ily n ASN 60 Ca -0.02 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1ily n ASN 60 Cb 0.54 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1ily n ASN 60 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ily n LYS 61 N -3.90 -0.32 -1.39 3.52 3.00 -1.26 -5.02 118.16 112.80 1ily n LYS 61 Ca -0.45 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.52 1ily n LYS 61 Cb 0.85 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.82 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 0.01 4.19 -0.09 3.15 -2.24 -1.26 -4.41 114.28 113.63 1ily n THR 62 Ca 0.00 -2.72 -0.10 0.00 -2.27 0.00 0.00 64.05 58.97 1ily n THR 62 Cb 0.00 -2.34 -0.04 0.00 -2.10 0.00 0.00 70.33 65.85 1ily n THR 62 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ily n GLU 63 N 2.88 0.50 0.04 -0.78 2.13 -1.26 -4.62 120.64 119.54 1ily n GLU 63 Ca 0.67 0.41 0.11 0.00 0.66 0.00 0.00 57.16 59.01 1ily n GLU 63 Cb 0.38 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.47 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ily n VAL 64 N -4.52 0.27 -0.22 6.31 0.31 -1.26 -4.41 118.33 114.81 1ily n VAL 64 Ca -0.16 -0.38 0.21 0.00 -0.01 0.00 0.00 64.34 64.01 1ily n VAL 64 Cb 0.44 0.01 0.40 0.00 -0.91 0.00 0.00 33.84 33.78 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 -2.01 0.69 0.32 3.52 0.00 -1.26 0.14 120.51 121.91 1ily n ALA 65 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 53.44 54.03 1ily n ALA 65 Cb 0.49 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.82 -0.38 0.00 2.43 -1.69 -1.40 114.38 112.53 1ily h ARG 66 Ca 0.58 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.92 1ily h ARG 66 Cb 1.52 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 31.24 1ily h ARG 66 CO -0.54 -0.55 0.62 1.96 -1.51 0.00 0.00 179.97 179.95 1ily h GLN 67 N -1.22 0.00 0.06 0.20 4.20 0.96 1.67 115.11 120.98 1ily h GLN 67 Ca -0.09 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1ily h GLN 67 CO 0.14 0.00 -1.07 -0.24 -0.67 0.00 0.00 178.83 177.00 1ily h VAL 68 N 0.00 1.44 0.08 -0.54 3.04 0.54 -2.04 116.25 118.76 1ily h VAL 68 Ca 0.18 -2.69 -0.25 0.00 -1.01 0.00 0.00 66.70 62.93 1ily h VAL 68 Cb 1.41 2.63 0.00 0.00 -2.01 0.00 0.00 31.29 33.32 1ily h VAL 68 CO -0.00 0.79 -1.12 1.23 -1.01 0.00 0.00 177.57 177.47 1ily h GLY 69 N 1.35 0.33 1.33 3.17 0.00 0.32 -2.17 103.07 107.40 1ily h GLY 69 Ca -0.10 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 1ily h GLY 69 CO 0.18 0.64 0.05 0.07 0.00 0.00 0.00 176.54 177.48 1ily h ARG 70 N 0.12 0.83 -0.21 4.80 -0.00 0.60 0.88 114.38 121.39 1ily h ARG 70 Ca -0.11 -0.21 -0.04 0.00 -0.00 0.00 0.00 59.98 59.63 1ily h ARG 70 Cb 1.81 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 31.67 1ily h ARG 70 CO 0.18 0.80 -0.01 0.00 -0.00 0.00 0.00 179.97 180.94 1ily h ALA 71 N 1.27 0.29 0.11 0.08 0.00 -1.35 0.42 119.26 120.07 1ily h ALA 71 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ily h ALA 71 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ily h ALA 71 CO 0.01 0.03 -0.05 -0.07 0.00 0.00 0.00 179.25 179.17 1ily h LEU 72 N 0.14 -0.13 -2.35 0.00 3.38 -0.98 -1.27 115.31 114.11 1ily h LEU 72 Ca 0.06 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ily h LEU 72 Cb 0.43 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ily h LEU 72 CO 0.01 -0.02 0.06 0.00 0.09 0.00 0.00 178.44 178.59 1ily h ALA 73 N 0.66 1.66 -0.14 1.53 0.00 0.82 0.55 119.26 124.33 1ily h ALA 73 Ca -0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1ily h ALA 73 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ily h ALA 73 CO 0.03 -0.09 -0.61 1.49 0.00 0.00 0.00 179.25 180.06 1ily h GLU 74 N 0.00 0.48 0.04 0.00 4.81 0.93 -1.68 114.58 119.16 1ily h GLU 74 Ca 0.03 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1ily h GLU 74 Cb 0.15 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ily h GLU 74 CO -0.00 0.95 -0.02 0.87 -0.73 0.00 0.00 179.01 180.08 1ily h LYS 75 N 0.36 -0.05 -0.96 1.92 1.57 0.33 -3.08 116.57 116.65 1ily h LYS 75 Ca -0.01 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 1ily h LYS 75 Cb 1.16 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.32 1ily h LYS 75 CO 0.11 -0.03 0.37 0.00 -0.57 0.00 0.00 179.45 179.33 1ily h ALA 76 N -1.39 1.68 -0.90 3.86 0.00 -0.19 1.31 119.26 123.62 1ily h ALA 76 Ca -0.01 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1ily h ALA 76 Cb 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1ily h ALA 76 CO 0.01 -0.64 0.58 -0.07 0.00 0.00 0.00 179.25 179.13 1ily h LEU 77 N 0.15 0.95 -1.81 0.00 3.38 -1.41 -1.34 115.31 115.23 1ily h LEU 77 Ca 0.69 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.82 1ily h LEU 77 Cb 1.58 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1ily h LEU 77 CO -0.72 0.65 0.61 0.00 0.09 0.00 0.00 178.44 179.07 1ily h ALA 78 N 1.38 2.33 0.00 1.53 0.00 0.18 1.25 119.26 125.93 1ily h ALA 78 Ca 0.36 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.01 1ily h ALA 78 Cb 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ily h ALA 78 CO -0.13 -0.90 -1.57 -0.07 0.00 0.00 0.00 179.25 176.58 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.24 -3.48 115.31 113.97 1ily h LEU 79 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ily h LEU 79 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1ily h LEU 79 CO -0.00 0.86 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1ily n GLY 80 N 1.49 1.53 3.56 0.83 0.00 0.43 -5.07 105.19 107.96 1ily n GLY 80 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 3.71 -0.06 -0.61 -1.09 -0.89 -4.76 121.20 115.51 1ily s ILE 81 Ca 0.00 0.53 0.14 0.00 -2.23 0.00 0.00 60.65 59.09 1ily s ILE 81 Cb 0.00 -4.55 -0.21 0.00 -1.58 0.00 0.00 42.46 36.12 1ily s ILE 81 CO 0.00 -1.38 0.23 2.29 -1.23 0.00 0.00 174.94 174.86 1ily n LYS 82 N 8.97 0.88 -4.22 2.79 0.00 -1.26 -3.99 118.16 121.33 1ily n LYS 82 Ca 0.10 -0.09 -0.25 0.00 -0.00 0.00 0.00 58.31 58.07 1ily n LYS 82 Cb 0.50 -1.36 -0.17 0.00 -0.00 0.00 0.00 35.03 34.00 1ily n LYS 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ily s GLN 83 N -2.80 1.51 0.32 -1.58 -0.44 -1.26 0.36 119.66 115.75 1ily s GLN 83 Ca -0.06 -0.30 0.08 0.00 -2.50 0.00 0.00 55.36 52.58 1ily s GLN 83 Cb 0.08 -1.42 -0.06 0.00 -1.64 0.00 0.00 33.01 29.97 1ily s GLN 83 CO 0.60 -0.12 -0.06 0.08 0.50 0.00 0.00 175.29 176.29 1ily s VAL 84 N 1.18 1.89 -0.30 1.34 1.01 0.63 -4.40 120.40 121.76 1ily s VAL 84 Ca -0.05 -2.15 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 1ily s VAL 84 Cb -0.14 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ily s VAL 84 CO -0.02 -0.23 0.04 0.00 0.00 0.00 0.00 175.10 174.89 1ily s ALA 85 N -2.84 2.91 -0.44 5.51 0.00 -0.41 -3.81 121.76 122.67 1ily s ALA 85 Ca 0.31 -1.66 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 1ily s ALA 85 Cb 0.04 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.15 1ily s ALA 85 CO 0.14 -1.16 1.09 0.12 0.00 0.00 0.00 175.76 175.95 1ily s PHE 86 N 1.35 2.90 -0.25 0.00 5.36 -1.26 -0.08 117.98 126.01 1ily s PHE 86 Ca -0.02 0.76 0.11 0.00 -0.96 0.00 0.00 56.93 56.82 1ily s PHE 86 Cb -0.19 -4.20 0.45 0.00 -0.34 0.00 0.00 43.02 38.75 1ily s PHE 86 CO 0.00 -1.14 1.19 -3.47 -1.46 0.00 0.00 175.22 170.34 1ily n ASP 87 N 7.52 3.41 -0.39 6.13 2.03 -0.93 -4.86 116.55 129.46 1ily n ASP 87 Ca 0.11 -3.44 0.34 0.00 0.52 0.00 0.00 54.79 52.31 1ily n ASP 87 Cb 0.49 -0.40 0.61 0.00 -0.72 0.00 0.00 41.12 41.09 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 1.87 0.09 0.00 -0.67 0.11 -1.89 -3.47 114.38 110.42 1ily h ARG 88 Ca 0.17 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.24 1ily h ARG 88 Cb 1.39 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.45 1ily h ARG 88 CO 0.45 0.06 0.00 0.41 0.10 0.00 0.00 179.97 180.99 1ily n GLY 89 N -1.41 0.28 0.00 0.08 0.00 -1.26 -4.60 105.19 98.28 1ily n GLY 89 Ca 0.37 -1.38 0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 0.82 -1.73 1.61 -0.04 -1.26 -4.87 135.00 129.53 1ily n PRO 90 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1ily n PRO 90 Cb 0.00 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.00 1ily n PRO 90 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ily n TYR 91 N -0.99 2.34 -3.79 0.54 4.02 -1.26 -5.01 117.16 113.01 1ily n TYR 91 Ca 0.19 0.45 -0.28 0.00 -0.01 0.00 0.00 57.90 58.25 1ily n TYR 91 Cb 0.09 -2.39 -0.16 0.00 -0.02 0.00 0.00 39.34 36.85 1ily n TYR 91 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ily s LYS 92 N -2.52 0.93 0.00 -0.72 2.36 -1.26 -5.03 119.74 113.49 1ily s LYS 92 Ca 0.65 -0.61 0.00 0.00 -2.55 0.00 0.00 55.97 53.46 1ily s LYS 92 Cb -0.45 -2.24 0.00 0.00 -1.05 0.00 0.00 37.83 34.08 1ily s LYS 92 CO 0.55 -0.65 0.00 0.98 1.55 0.00 0.00 175.35 177.78 1ily n TYR 93 N 4.93 0.00 -4.43 4.03 9.36 -1.26 -4.92 117.16 124.88 1ily n TYR 93 Ca -0.09 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.91 1ily n TYR 93 Cb 0.46 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.08 1ily n TYR 93 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 1ily s HIS 94 N 0.00 1.77 0.03 2.98 -3.43 -1.26 -5.04 115.29 110.34 1ily s HIS 94 Ca 0.00 -1.17 -0.06 0.00 -0.80 0.00 0.00 55.06 53.03 1ily s HIS 94 Cb 0.00 -1.11 -0.01 0.00 -1.43 0.00 0.00 32.58 30.03 1ily s HIS 94 CO 0.00 -0.24 0.93 0.41 -2.00 0.00 0.00 174.74 173.84 1ily n GLY 95 N -0.71 -2.51 0.17 -1.38 0.00 -1.26 -2.09 105.19 97.41 1ily n GLY 95 Ca -0.03 0.60 -0.05 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.18 -0.48 1.61 2.47 -1.97 -1.83 114.38 114.00 1ily h ARG 96 Ca 0.03 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.91 1ily h ARG 96 Cb 0.07 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.35 1ily h ARG 96 CO -0.17 -0.12 0.05 0.28 0.56 0.00 0.00 179.97 180.58 1ily n VAL 97 N -3.64 -0.20 0.00 2.04 0.31 -0.89 0.97 118.33 116.92 1ily n VAL 97 Ca -0.02 1.04 0.00 0.00 -0.01 0.00 0.00 64.34 65.35 1ily n VAL 97 Cb 0.13 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 -4.46 0.00 -0.24 5.55 4.01 -0.69 0.45 118.16 122.78 1ily n LYS 98 Ca 0.13 0.15 0.03 0.00 -0.51 0.00 0.00 58.31 58.11 1ily n LYS 98 Cb 0.42 -1.09 0.27 0.00 -0.51 0.00 0.00 35.03 34.12 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 -1.98 1.54 -0.16 7.82 0.00 -1.18 -1.88 119.26 123.42 1ily h ALA 99 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ily h ALA 99 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ily h ALA 99 CO 0.00 0.36 0.04 1.25 0.00 0.00 0.00 179.25 180.90 1ily h LEU 100 N 0.96 0.24 -1.36 0.00 6.46 0.56 -2.39 115.31 119.78 1ily h LEU 100 Ca 0.33 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1ily h LEU 100 Cb 0.10 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1ily h LEU 100 CO -0.10 0.41 -0.19 0.00 -0.62 0.00 0.00 178.44 177.94 1ily h ALA 101 N 0.84 1.47 -0.22 1.25 0.00 0.36 -2.39 119.26 120.57 1ily h ALA 101 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ily h ALA 101 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ily h ALA 101 CO 0.00 0.37 -0.02 0.93 0.00 0.00 0.00 179.25 180.54 1ily h GLU 102 N 0.17 0.40 -0.28 0.00 5.08 -1.19 0.19 114.58 118.94 1ily h GLU 102 Ca 0.03 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1ily h GLU 102 Cb 0.45 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 1ily h GLU 102 CO 0.03 0.60 -0.53 0.78 -1.00 0.00 0.00 179.01 178.89 1ily h GLY 103 N 0.15 -0.96 0.78 -3.84 0.00 -0.98 7.54 103.07 105.76 1ily h GLY 103 Ca 0.06 0.67 0.05 0.00 0.00 0.00 0.00 47.33 48.11 1ily h GLY 103 CO 0.01 -0.16 0.44 0.00 0.00 0.00 0.00 176.54 176.83 1ily h ALA 104 N -0.07 0.96 0.05 3.60 0.00 -0.75 1.00 119.26 124.05 1ily h ALA 104 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ily h ALA 104 Cb 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ily h ALA 104 CO -0.52 0.18 -0.39 -0.09 0.00 0.00 0.00 179.25 178.42 1ily h ARG 105 N 0.83 0.10 -0.76 0.00 2.43 0.53 0.41 114.38 117.92 1ily h ARG 105 Ca 0.31 -0.17 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1ily h ARG 105 Cb 0.10 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.63 1ily h ARG 105 CO -0.14 1.08 0.36 1.05 -1.51 0.00 0.00 179.97 180.80 1ily h GLU 106 N -0.79 0.54 -0.15 0.20 4.11 1.60 -0.86 114.58 119.22 1ily h GLU 106 Ca -0.08 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 1ily h GLU 106 Cb 1.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1ily h GLU 106 CO 0.03 0.35 0.09 0.78 0.07 0.00 0.00 179.01 180.34 1ily h GLY 107 N 0.55 0.22 0.00 1.06 0.00 0.97 -3.46 103.07 102.41 1ily h GLY 107 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ily h GLY 107 CO -0.34 0.09 0.00 0.61 0.00 0.00 0.00 176.54 176.90 1ily n GLY 108 N -1.02 0.03 3.78 4.60 0.00 -0.33 -4.78 105.19 107.47 1ily n GLY 108 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 3.81 -0.42 0.99 1.02 0.14 -4.28 118.68 119.94 1ily s LEU 109 Ca 0.00 2.10 0.02 0.00 0.02 0.00 0.00 54.13 56.27 1ily s LEU 109 Cb 0.00 -4.54 0.13 0.00 0.02 0.00 0.00 46.19 41.80 1ily s LEU 109 CO 0.00 -1.03 0.21 -1.61 0.02 0.00 0.00 176.35 173.94 1ily s GLU 110 N -3.20 1.24 0.00 1.70 8.01 1.11 -3.44 118.70 124.13 1ily s GLU 110 Ca 0.70 -1.89 0.00 0.00 0.01 0.00 0.00 54.97 53.79 1ily s GLU 110 Cb -0.22 -2.37 0.00 0.00 -4.31 0.00 0.00 34.13 27.23 1ily s GLU 110 CO 0.25 -1.12 0.39 1.97 0.01 0.00 0.00 175.26 176.76