#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 4.03 -0.25 6.15 1.43 -1.26 0.12 118.68 128.90 1ily s LEU 23 Ca 0.00 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1ily s LEU 23 Cb 0.00 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1ily s LEU 23 CO 0.00 0.21 0.16 -0.60 0.23 0.00 0.00 176.35 176.35 1ily s ARG 24 N 0.14 4.02 0.16 1.70 3.52 0.18 0.14 118.95 128.81 1ily s ARG 24 Ca 0.07 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.22 1ily s ARG 24 Cb -0.12 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.66 1ily s ARG 24 CO -0.00 -0.00 0.58 -1.17 -0.81 0.00 0.00 175.30 173.90 1ily s LEU 25 N 1.23 4.35 -0.24 -0.88 0.20 0.18 -0.89 118.68 122.62 1ily s LEU 25 Ca 0.07 1.14 -0.03 0.00 0.69 0.00 0.00 54.13 56.01 1ily s LEU 25 Cb -0.14 -3.31 0.12 0.00 -0.43 0.00 0.00 46.19 42.43 1ily s LEU 25 CO 0.06 0.10 0.32 -0.44 -0.29 0.00 0.00 176.35 176.09 1ily s SER 26 N -1.68 0.83 -0.33 3.68 0.01 0.72 -2.33 113.70 114.60 1ily s SER 26 Ca 0.38 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.36 1ily s SER 26 Cb -0.15 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 1ily s SER 26 CO 0.19 -0.32 0.53 0.54 0.41 0.00 0.00 173.24 174.59 1ily s VAL 27 N 2.45 5.01 -0.04 3.43 0.11 -1.26 0.55 120.40 130.65 1ily s VAL 27 Ca 0.10 0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 59.51 1ily s VAL 27 Cb -0.15 -3.95 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 1ily s VAL 27 CO -0.18 -0.17 0.34 0.12 -3.33 0.00 0.00 175.10 171.89 1ily s PHE 28 N 2.42 3.68 -0.06 1.54 5.36 0.15 -4.91 117.98 126.16 1ily s PHE 28 Ca 0.20 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1ily s PHE 28 Cb -0.15 -2.22 0.04 0.00 -0.34 0.00 0.00 43.02 40.34 1ily s PHE 28 CO 0.13 0.64 0.07 1.03 -1.46 0.00 0.00 175.22 175.62 1ily s ARG 29 N -0.95 -0.05 0.00 10.12 1.81 -1.26 -1.24 118.95 127.37 1ily s ARG 29 Ca 0.21 0.30 0.00 0.00 -1.72 0.00 0.00 55.73 54.52 1ily s ARG 29 Cb -0.15 -0.75 0.00 0.00 -0.45 0.00 0.00 34.95 33.60 1ily s ARG 29 CO 0.11 -0.39 0.00 0.43 -0.68 0.00 0.00 175.30 174.76 1ily n SER 30 N 5.30 0.21 0.00 0.23 7.64 -0.89 -4.95 113.62 121.15 1ily n SER 30 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ily n SER 30 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ily n SER 30 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ily n LEU 31 N 0.00 0.00 -1.37 -3.43 7.94 -1.26 -3.81 117.00 115.07 1ily n LEU 31 Ca 0.00 0.92 -0.10 0.00 -1.11 0.00 0.00 56.01 55.72 1ily n LEU 31 Cb 0.00 -0.42 0.11 0.00 0.53 0.00 0.00 43.42 43.64 1ily n LEU 31 CO 0.00 -0.42 0.26 1.17 -1.11 0.00 0.00 177.39 177.29 1ily n LYS 32 N -2.12 2.67 -4.90 1.96 4.81 -1.26 -5.03 118.16 114.29 1ily n LYS 32 Ca 0.00 -3.77 -0.33 0.00 -0.87 0.00 0.00 58.31 53.35 1ily n LYS 32 Cb 0.00 -1.97 -0.15 0.00 0.02 0.00 0.00 35.03 32.94 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 -3.43 2.72 -0.24 5.64 3.76 -1.25 -4.99 115.29 117.50 1ily s HIS 33 Ca 0.45 -0.58 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1ily s HIS 33 Cb 0.39 -1.75 0.05 0.00 1.11 0.00 0.00 32.58 32.38 1ily s HIS 33 CO -0.01 -0.14 -0.11 -1.50 -0.85 0.00 0.00 174.74 172.13 1ily s ILE 34 N 0.04 2.02 0.03 0.60 1.10 -1.26 -2.09 121.20 121.63 1ily s ILE 34 Ca -0.06 -1.44 -0.09 0.00 -0.51 0.00 0.00 60.65 58.55 1ily s ILE 34 Cb -0.15 -2.11 0.00 0.00 0.15 0.00 0.00 42.46 40.36 1ily s ILE 34 CO 0.05 0.05 0.19 -0.31 -2.11 0.00 0.00 174.94 172.80 1ily s TYR 35 N 1.19 0.05 -0.04 3.50 1.51 -0.38 -2.90 117.35 120.28 1ily s TYR 35 Ca -0.06 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1ily s TYR 35 Cb -0.19 -0.03 0.02 0.00 -0.11 0.00 0.00 41.96 41.65 1ily s TYR 35 CO -0.06 -0.41 -0.03 0.00 -1.11 0.00 0.00 175.55 173.93 1ily s ALA 36 N -2.39 0.58 -0.25 3.71 0.00 -0.62 0.33 121.76 123.13 1ily s ALA 36 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1ily s ALA 36 Cb -0.02 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1ily s ALA 36 CO -0.03 -0.02 -0.07 -0.65 0.00 0.00 0.00 175.76 174.98 1ily s GLN 37 N 0.92 2.79 -0.71 0.00 1.11 0.19 -2.01 119.66 121.95 1ily s GLN 37 Ca -0.11 -1.01 -0.15 0.00 0.01 0.00 0.00 55.36 54.10 1ily s GLN 37 Cb -0.14 -2.95 0.18 0.00 -1.01 0.00 0.00 33.01 29.09 1ily s GLN 37 CO -0.00 -0.41 0.67 0.42 0.01 0.00 0.00 175.29 175.98 1ily s ILE 38 N 1.30 5.43 0.43 1.08 -1.09 0.98 -0.20 121.20 129.13 1ily s ILE 38 Ca -0.00 -2.06 0.01 0.00 -2.23 0.00 0.00 60.65 56.37 1ily s ILE 38 Cb -0.17 -4.43 -0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1ily s ILE 38 CO -0.05 -0.98 0.64 -0.63 -1.23 0.00 0.00 174.94 172.69 1ily s ILE 39 N 0.80 4.01 -0.34 2.92 1.09 -0.06 -1.60 121.20 128.01 1ily s ILE 39 Ca 0.12 -0.59 -0.16 0.00 -1.10 0.00 0.00 60.65 58.93 1ily s ILE 39 Cb -0.18 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 37.75 1ily s ILE 39 CO -0.04 -0.30 0.38 -0.62 -0.10 0.00 0.00 174.94 174.26 1ily s ASP 40 N -4.21 6.20 -0.17 3.58 -1.08 0.28 0.50 116.67 121.75 1ily s ASP 40 Ca 0.48 -0.21 0.06 0.00 -0.52 0.00 0.00 52.55 52.36 1ily s ASP 40 Cb -0.10 -2.20 0.42 0.00 -1.46 0.00 0.00 42.92 39.58 1ily s ASP 40 CO 0.37 -0.35 1.30 -0.67 0.52 0.00 0.00 175.17 176.34 1ily n ASP 41 N 5.42 3.53 -0.08 -0.34 2.03 0.32 -2.50 116.55 124.94 1ily n ASP 41 Ca -0.09 -2.65 -0.16 0.00 0.52 0.00 0.00 54.79 52.42 1ily n ASP 41 Cb 0.49 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ily n GLU 42 N 0.07 0.36 -3.76 -0.67 2.13 -1.03 -4.69 120.64 113.05 1ily n GLU 42 Ca 0.22 0.14 -0.24 0.00 0.66 0.00 0.00 57.16 57.94 1ily n GLU 42 Cb 0.91 -1.15 -0.17 0.00 0.27 0.00 0.00 31.44 31.30 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 -2.31 0.61 -0.95 5.31 3.01 -1.24 -5.05 119.74 119.13 1ily s LYS 43 Ca -0.23 0.01 -0.14 0.00 -1.01 0.00 0.00 55.97 54.61 1ily s LYS 43 Cb 0.08 -1.18 -0.29 0.00 -1.01 0.00 0.00 37.83 35.42 1ily s LYS 43 CO 0.31 -0.37 2.23 0.41 0.51 0.00 0.00 175.35 178.44 1ily n GLY 44 N 5.13 -0.42 2.65 -3.33 0.00 -1.20 -4.43 105.19 103.58 1ily n GLY 44 Ca -0.07 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 3.46 -0.13 -0.14 1.61 1.01 -1.04 -4.94 120.40 120.23 1ily s VAL 45 Ca 1.24 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 1ily s VAL 45 Cb -0.72 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1ily s VAL 45 CO 0.47 -0.17 1.39 -0.89 0.00 0.00 0.00 175.10 175.90 1ily s THR 46 N 2.17 4.06 -0.11 3.92 2.01 -1.26 0.98 115.64 127.41 1ily s THR 46 Ca 0.03 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.20 1ily s THR 46 Cb -0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1ily s THR 46 CO -0.08 -0.12 -0.21 0.18 -0.69 0.00 0.00 174.62 173.69 1ily n LEU 47 N 6.82 1.19 -4.43 4.42 4.32 -0.63 -4.93 117.00 123.76 1ily n LEU 47 Ca 0.15 0.20 -0.30 0.00 -0.02 0.00 0.00 56.01 56.05 1ily n LEU 47 Cb 0.44 -0.65 -0.13 0.00 -1.62 0.00 0.00 43.42 41.47 1ily n LEU 47 CO 0.58 -0.36 -0.53 -0.69 -1.22 0.00 0.00 177.39 175.17 1ily s VAL 48 N -2.17 2.54 -0.15 4.08 1.01 -0.96 -5.00 120.40 119.74 1ily s VAL 48 Ca -0.18 -1.54 -0.08 0.00 0.00 0.00 0.00 61.98 60.18 1ily s VAL 48 Cb 0.02 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.34 1ily s VAL 48 CO 0.26 0.16 0.36 -0.94 0.00 0.00 0.00 175.10 174.95 1ily s SER 49 N -1.91 -0.44 0.16 3.32 1.04 -1.26 -0.01 113.70 114.59 1ily s SER 49 Ca 0.15 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1ily s SER 49 Cb -0.10 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 1ily s SER 49 CO 0.07 -0.19 -0.04 0.00 0.98 0.00 0.00 173.24 174.07 1ily s ALA 50 N 1.37 1.33 -0.15 5.32 0.00 -0.85 -4.98 121.76 123.80 1ily s ALA 50 Ca -0.09 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.23 1ily s ALA 50 Cb -0.09 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1ily s ALA 50 CO -0.12 -0.24 0.37 -1.54 0.00 0.00 0.00 175.76 174.23 1ily s SER 51 N -3.15 -0.42 0.02 0.00 1.04 -1.26 -1.59 113.70 108.34 1ily s SER 51 Ca 0.20 0.78 -0.25 0.00 0.48 0.00 0.00 55.95 57.15 1ily s SER 51 Cb 0.05 0.72 -0.17 0.00 0.10 0.00 0.00 66.02 66.72 1ily s SER 51 CO 0.02 -0.16 1.36 -1.28 0.98 0.00 0.00 173.24 174.15 1ily h SER 52 N 6.38 -0.25 -0.73 7.02 0.87 -1.90 0.89 113.55 125.83 1ily h SER 52 Ca -0.32 -0.19 0.16 0.00 -1.23 0.00 0.00 61.79 60.21 1ily h SER 52 Cb 1.18 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 1ily h SER 52 CO 0.29 0.07 0.50 0.25 -0.53 0.00 0.00 176.83 177.41 1ily h LEU 53 N -0.58 0.28 0.02 2.23 7.12 -1.81 0.67 115.31 123.24 1ily h LEU 53 Ca -0.03 0.02 -0.18 0.00 0.13 0.00 0.00 57.88 57.82 1ily h LEU 53 Cb 0.43 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 1ily h LEU 53 CO 0.05 0.14 -0.97 0.00 -0.13 0.00 0.00 178.44 177.53 1ily h ALA 54 N 1.65 0.18 -0.92 1.25 0.00 -1.71 -3.37 119.26 116.35 1ily h ALA 54 Ca 0.36 -1.00 0.18 0.00 0.00 0.00 0.00 54.91 54.44 1ily h ALA 54 Cb 0.99 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 1ily h ALA 54 CO -0.09 0.55 0.59 -0.07 0.00 0.00 0.00 179.25 180.23 1ily h LEU 55 N -0.85 0.59 0.00 0.00 -0.00 0.12 -3.44 115.31 111.74 1ily h LEU 55 Ca -0.25 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1ily h LEU 55 Cb 1.33 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1ily h LEU 55 CO -0.10 0.26 0.00 1.17 -0.00 0.00 0.00 178.44 179.77 1ily n LYS 56 N -4.58 0.00 -1.49 1.13 4.81 -0.20 -5.06 118.16 112.78 1ily n LYS 56 Ca 0.19 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.18 1ily n LYS 56 Cb 0.58 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.61 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 0.17 0.00 3.14 0.00 0.22 -4.90 117.00 115.62 1ily n LEU 57 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.13 1ily n LEU 57 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 43.42 42.31 1ily n LEU 57 CO 0.00 -2.32 -0.28 2.29 0.00 0.00 0.00 177.39 177.08 1ily n LYS 58 N 0.84 0.07 -3.16 1.96 2.85 -1.26 -4.02 118.16 115.43 1ily n LYS 58 Ca 0.13 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.19 1ily n LYS 58 Cb 0.30 -0.78 -0.06 0.00 -0.65 0.00 0.00 35.03 33.84 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 2.61 1.63 1.25 2.58 0.00 -1.26 -5.07 105.19 106.93 1ily n GLY 59 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 2.35 -0.43 0.05 1.61 3.02 -1.26 -5.09 115.26 115.51 1ily n ASN 60 Ca 0.23 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1ily n ASN 60 Cb 0.52 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ily n LYS 61 N -0.27 0.00 -0.71 3.52 5.02 -1.26 -4.90 118.16 119.56 1ily n LYS 61 Ca 0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.24 1ily n LYS 61 Cb 0.18 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.39 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 -2.78 2.15 -0.08 -0.18 -2.24 -1.26 -3.58 114.28 106.30 1ily n THR 62 Ca 0.00 -1.10 -0.08 0.00 -2.27 0.00 0.00 64.05 60.60 1ily n THR 62 Cb 0.00 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.09 0.49 0.03 -0.78 0.00 -1.26 -4.61 120.64 114.42 1ily n GLU 63 Ca 0.29 0.41 0.11 0.00 0.00 0.00 0.00 57.16 57.97 1ily n GLU 63 Cb 1.08 -1.60 -0.00 0.00 0.00 0.00 0.00 31.44 30.92 1ily n GLU 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ily n VAL 64 N -4.54 0.21 -0.28 6.31 0.31 -1.26 -4.43 118.33 114.66 1ily n VAL 64 Ca -0.13 -0.31 0.26 0.00 -0.01 0.00 0.00 64.34 64.16 1ily n VAL 64 Cb 0.40 0.12 0.46 0.00 -0.91 0.00 0.00 33.84 33.90 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 -1.91 0.85 0.25 3.52 0.00 -1.24 0.14 120.51 122.12 1ily n ALA 65 Ca 0.01 0.70 -0.11 0.00 0.00 0.00 0.00 53.44 54.04 1ily n ALA 65 Cb 0.46 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.67 -0.29 0.00 2.43 -1.76 -0.34 114.38 113.74 1ily h ARG 66 Ca 0.63 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.93 1ily h ARG 66 Cb 1.81 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 1ily h ARG 66 CO -0.48 -0.43 0.59 1.96 -1.51 0.00 0.00 179.97 180.10 1ily h GLN 67 N -1.17 0.00 0.06 0.20 4.20 0.89 2.01 115.11 121.31 1ily h GLN 67 Ca -0.07 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.37 1ily h GLN 67 Cb 0.55 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1ily h GLN 67 CO 0.12 0.00 -1.31 -0.24 -0.67 0.00 0.00 178.83 176.73 1ily h VAL 68 N 0.00 1.38 0.00 -0.54 3.04 0.67 -2.27 116.25 118.54 1ily h VAL 68 Ca 0.14 -3.06 -0.15 0.00 -1.01 0.00 0.00 66.70 62.61 1ily h VAL 68 Cb 1.32 2.78 -0.02 0.00 -2.01 0.00 0.00 31.29 33.36 1ily h VAL 68 CO -0.00 0.84 -0.72 1.23 -1.01 0.00 0.00 177.57 177.91 1ily h GLY 69 N 2.37 0.00 1.32 3.17 0.00 0.47 -0.22 103.07 110.18 1ily h GLY 69 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.92 1ily h GLY 69 CO 0.15 0.00 -1.10 0.07 0.00 0.00 0.00 176.54 175.66 1ily h ARG 70 N 0.00 0.59 -0.18 4.80 -0.00 -0.05 0.84 114.38 120.38 1ily h ARG 70 Ca -0.01 -0.70 -0.12 0.00 -0.00 0.00 0.00 59.98 59.15 1ily h ARG 70 Cb 1.42 0.21 -0.01 0.00 -0.00 0.00 0.00 29.97 31.59 1ily h ARG 70 CO 0.09 1.29 -0.42 0.00 -0.00 0.00 0.00 179.97 180.94 1ily h ALA 71 N 0.45 0.95 0.34 0.08 0.00 -1.41 0.62 119.26 120.29 1ily h ALA 71 Ca -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1ily h ALA 71 Cb 1.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ily h ALA 71 CO 0.21 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 181.17 1ily h LEU 72 N 0.35 -0.38 -2.47 0.00 7.12 -0.94 0.17 115.31 119.15 1ily h LEU 72 Ca 0.03 -0.16 0.01 0.00 0.13 0.00 0.00 57.88 57.88 1ily h LEU 72 Cb 0.88 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1ily h LEU 72 CO 0.07 0.05 0.04 0.00 -0.13 0.00 0.00 178.44 178.47 1ily h ALA 73 N -0.55 1.52 0.02 1.25 0.00 0.67 0.65 119.26 122.82 1ily h ALA 73 Ca -0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1ily h ALA 73 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ily h ALA 73 CO 0.08 -0.05 -1.00 0.93 0.00 0.00 0.00 179.25 179.20 1ily h GLU 74 N 0.00 0.06 0.05 0.00 5.08 0.48 -1.69 114.58 118.55 1ily h GLU 74 Ca 0.01 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ily h GLU 74 Cb 0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ily h GLU 74 CO -0.00 1.00 -0.03 0.87 -1.00 0.00 0.00 179.01 179.86 1ily h LYS 75 N 0.02 -0.07 -0.89 2.33 1.57 0.31 -2.48 116.57 117.36 1ily h LYS 75 Ca -0.03 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.00 1ily h LYS 75 Cb 1.73 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.91 1ily h LYS 75 CO 0.14 -0.05 0.27 0.00 -0.57 0.00 0.00 179.45 179.24 1ily h ALA 76 N -1.91 1.35 -1.00 3.86 0.00 -0.48 0.90 119.26 121.97 1ily h ALA 76 Ca -0.01 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1ily h ALA 76 Cb 0.06 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1ily h ALA 76 CO 0.01 -0.48 0.63 -0.07 0.00 0.00 0.00 179.25 179.35 1ily h LEU 77 N 0.22 0.95 -1.95 0.00 3.38 -1.37 0.62 115.31 117.16 1ily h LEU 77 Ca 0.57 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.68 1ily h LEU 77 Cb 1.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ily h LEU 77 CO -0.65 0.54 0.45 0.00 0.09 0.00 0.00 178.44 178.86 1ily h ALA 78 N 1.51 2.02 0.00 1.53 0.00 0.13 0.95 119.26 125.41 1ily h ALA 78 Ca 0.48 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.12 1ily h ALA 78 Cb 0.39 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ily h ALA 78 CO -0.24 -0.63 -1.59 -0.07 0.00 0.00 0.00 179.25 176.72 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.87 -3.48 115.31 114.34 1ily h LEU 79 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ily h LEU 79 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ily h LEU 79 CO -0.00 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.01 1ily n GLY 80 N 1.50 1.50 3.58 0.83 0.00 0.33 -5.06 105.19 107.86 1ily n GLY 80 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 3.76 -0.15 -0.61 1.09 -0.97 -4.84 121.20 117.48 1ily s ILE 81 Ca 0.00 0.66 -0.10 0.00 -1.10 0.00 0.00 60.65 60.11 1ily s ILE 81 Cb 0.00 -4.33 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1ily s ILE 81 CO 0.00 -1.06 -0.16 1.17 -0.10 0.00 0.00 174.94 174.80 1ily n LYS 82 N 8.60 0.46 -4.49 2.79 4.81 -1.26 -4.26 118.16 124.81 1ily n LYS 82 Ca 0.14 0.53 -0.34 0.00 -0.87 0.00 0.00 58.31 57.77 1ily n LYS 82 Cb 0.49 -1.69 -0.10 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.26 2.81 0.23 1.64 1.11 -1.26 0.20 119.66 122.13 1ily s GLN 83 Ca -0.16 -0.52 0.06 0.00 0.01 0.00 0.00 55.36 54.75 1ily s GLN 83 Cb 0.02 -2.66 -0.05 0.00 -1.01 0.00 0.00 33.01 29.31 1ily s GLN 83 CO 0.24 0.67 -0.09 0.08 0.01 0.00 0.00 175.29 176.21 1ily s VAL 84 N -0.88 1.50 -0.46 1.09 1.01 0.06 -4.33 120.40 118.40 1ily s VAL 84 Ca 0.14 -2.13 -0.12 0.00 0.00 0.00 0.00 61.98 59.87 1ily s VAL 84 Cb -0.11 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.16 1ily s VAL 84 CO 0.03 -0.47 0.35 0.00 0.00 0.00 0.00 175.10 175.00 1ily s ALA 85 N -3.11 3.44 -0.44 5.51 0.00 0.12 -4.00 121.76 123.27 1ily s ALA 85 Ca 0.25 -2.26 -0.28 0.00 0.00 0.00 0.00 51.96 49.67 1ily s ALA 85 Cb 0.02 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.28 1ily s ALA 85 CO 0.08 -1.77 1.07 0.12 0.00 0.00 0.00 175.76 175.25 1ily s PHE 86 N 1.50 2.91 -0.30 0.00 5.36 -1.26 0.47 117.98 126.67 1ily s PHE 86 Ca 0.04 0.72 0.18 0.00 -0.96 0.00 0.00 56.93 56.91 1ily s PHE 86 Cb -0.25 -4.16 0.48 0.00 -0.34 0.00 0.00 43.02 38.75 1ily s PHE 86 CO 0.03 -1.12 1.06 -0.25 -1.46 0.00 0.00 175.22 173.48 1ily n ASP 87 N 7.47 2.10 -0.32 6.13 8.00 -0.98 -4.94 116.55 134.00 1ily n ASP 87 Ca 0.10 -2.58 0.14 0.00 0.71 0.00 0.00 54.79 53.16 1ily n ASP 87 Cb 0.49 -0.48 0.28 0.00 -0.02 0.00 0.00 41.12 41.38 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1ily h ARG 88 N 2.71 0.05 0.00 -1.24 0.11 -1.89 -3.48 114.38 110.64 1ily h ARG 88 Ca -0.04 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ily h ARG 88 Cb 1.24 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ily h ARG 88 CO 0.41 0.04 0.00 0.41 0.10 0.00 0.00 179.97 180.92 1ily n GLY 89 N -1.46 0.23 2.11 0.08 0.00 -1.26 -4.82 105.19 100.06 1ily n GLY 89 Ca 0.22 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 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 2.04 -3.96 1.61 -0.04 -1.26 -4.91 135.00 128.48 1ily n PRO 90 Ca 0.00 -1.35 -0.25 0.00 -0.04 0.00 0.00 63.50 61.86 1ily n PRO 90 Cb 0.00 -1.96 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 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 0.04 3.45 0.10 0.54 1.51 -1.26 -5.12 117.35 116.61 1ily s TYR 91 Ca 0.59 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.78 1ily s TYR 91 Cb 0.31 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1ily s TYR 91 CO -0.07 0.51 -0.11 0.21 -1.11 0.00 0.00 175.55 174.98 1ily s LYS 92 N -3.34 0.89 -0.39 -0.62 2.20 -1.26 -5.07 119.74 112.14 1ily s LYS 92 Ca 0.34 -1.16 -0.37 0.00 -0.36 0.00 0.00 55.97 54.42 1ily s LYS 92 Cb -0.11 -0.65 -0.13 0.00 -1.51 0.00 0.00 37.83 35.43 1ily s LYS 92 CO 0.28 0.11 2.19 0.98 -0.36 0.00 0.00 175.35 178.56 1ily n TYR 93 N 0.60 1.48 0.00 4.03 9.36 -1.26 -4.86 117.16 126.52 1ily n TYR 93 Ca -0.16 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1ily n TYR 93 Cb 0.57 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 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 9.46 0.00 0.00 2.98 -0.00 -1.26 -5.09 115.22 121.31 1ily n HIS 94 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 1ily n HIS 94 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1ily n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ily n GLY 95 N 5.00 0.00 0.03 1.57 0.00 -1.26 -4.79 105.19 105.74 1ily n GLY 95 Ca 0.00 0.00 -0.01 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 -0.04 -1.72 1.61 3.08 -1.98 -3.34 114.38 112.00 1ily h ARG 96 Ca 0.00 0.00 0.50 0.00 0.07 0.00 0.00 59.98 60.55 1ily h ARG 96 Cb 0.55 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 1ily h ARG 96 CO 0.00 -0.02 1.27 0.28 -1.07 0.00 0.00 179.97 180.42 1ily n VAL 97 N -2.79 0.00 0.00 2.04 0.31 -1.26 -1.31 118.33 115.31 1ily n VAL 97 Ca -0.00 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 1ily n VAL 97 Cb 0.01 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 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 -3.67 0.00 -0.33 5.55 4.01 -1.25 0.68 118.16 123.15 1ily n LYS 98 Ca 0.39 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.33 1ily n LYS 98 Cb 1.78 -0.88 0.33 0.00 -0.51 0.00 0.00 35.03 35.75 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 1.60 -0.27 7.82 0.00 -1.53 0.21 119.26 125.10 1ily h ALA 99 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ily h ALA 99 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ily h ALA 99 CO 0.00 -0.22 0.05 1.25 0.00 0.00 0.00 179.25 180.33 1ily h LEU 100 N 0.57 0.42 -1.18 0.00 6.46 -1.04 0.39 115.31 120.92 1ily h LEU 100 Ca 0.58 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 58.05 1ily h LEU 100 Cb 1.04 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1ily h LEU 100 CO -0.46 0.56 0.06 0.00 -0.62 0.00 0.00 178.44 177.98 1ily h ALA 101 N 0.87 1.34 -0.09 1.25 0.00 0.25 0.47 119.26 123.35 1ily h ALA 101 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ily h ALA 101 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ily h ALA 101 CO 0.00 0.46 -0.17 0.93 0.00 0.00 0.00 179.25 180.47 1ily h GLU 102 N 0.60 0.28 -0.49 0.00 5.08 -0.42 0.54 114.58 120.17 1ily h GLU 102 Ca 0.13 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1ily h GLU 102 Cb 0.29 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.46 1ily h GLU 102 CO 0.00 0.77 -0.35 0.78 -1.00 0.00 0.00 179.01 179.21 1ily h GLY 103 N -0.18 -0.24 1.64 -3.84 0.00 0.42 9.54 103.07 110.42 1ily h GLY 103 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 1ily h GLY 103 CO 0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 176.54 176.23 1ily h ALA 104 N 0.81 1.28 0.00 3.60 0.00 0.19 1.03 119.26 126.17 1ily h ALA 104 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1ily h ALA 104 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ily h ALA 104 CO -0.61 0.48 -1.18 -2.13 0.00 0.00 0.00 179.25 175.81 1ily n ARG 105 N -4.20 0.61 0.04 0.00 3.00 0.19 0.31 116.66 116.61 1ily n ARG 105 Ca 0.00 0.17 -0.11 0.00 -0.00 0.00 0.00 57.85 57.90 1ily n ARG 105 Cb 0.32 -1.82 -0.13 0.00 0.00 0.00 0.00 32.46 30.83 1ily n ARG 105 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1ily h GLU 106 N 0.00 0.10 -0.05 -0.14 4.11 2.09 -3.35 114.58 117.33 1ily h GLU 106 Ca -0.07 -0.17 -0.10 0.00 0.07 0.00 0.00 59.36 59.09 1ily h GLU 106 Cb 1.25 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.57 1ily h GLU 106 CO 0.02 0.92 -0.35 0.78 0.07 0.00 0.00 179.01 180.45 1ily h GLY 107 N 2.59 0.37 0.00 1.06 0.00 0.10 -3.48 103.07 103.71 1ily h GLY 107 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1ily h GLY 107 CO 0.13 0.48 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1ily n GLY 108 N 0.77 0.13 3.77 4.60 0.00 -1.11 -4.75 105.19 108.60 1ily n GLY 108 Ca -0.09 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 4.29 -0.40 0.99 1.02 0.15 -4.65 118.68 120.07 1ily s LEU 109 Ca 0.00 2.35 0.02 0.00 0.02 0.00 0.00 54.13 56.52 1ily s LEU 109 Cb 0.00 -3.91 0.12 0.00 0.02 0.00 0.00 46.19 42.43 1ily s LEU 109 CO 0.00 -0.54 0.18 -1.61 0.02 0.00 0.00 176.35 174.40 1ily s GLU 110 N -2.08 1.26 0.00 1.70 8.01 0.52 -3.42 118.70 124.69 1ily s GLU 110 Ca 0.53 -1.83 0.02 0.00 0.01 0.00 0.00 54.97 53.70 1ily s GLU 110 Cb -0.31 -2.49 0.02 0.00 -4.31 0.00 0.00 34.13 27.03 1ily s GLU 110 CO 0.40 -1.08 0.56 1.97 0.01 0.00 0.00 175.26 177.12