#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 2.79 -0.22 6.15 1.02 -1.26 0.12 118.68 127.28 1ily s LEU 23 Ca 0.00 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 53.80 1ily s LEU 23 Cb 0.00 -1.61 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 1ily s LEU 23 CO 0.00 0.24 0.13 -0.60 0.02 0.00 0.00 176.35 176.13 1ily s ARG 24 N -0.07 4.05 0.09 1.70 6.06 0.16 0.53 118.95 131.47 1ily s ARG 24 Ca -0.02 -0.29 -0.11 0.00 -2.50 0.00 0.00 55.73 52.82 1ily s ARG 24 Cb -0.14 -3.43 -0.06 0.00 0.06 0.00 0.00 34.95 31.38 1ily s ARG 24 CO 0.04 0.15 0.43 -1.17 -2.50 0.00 0.00 175.30 172.24 1ily s LEU 25 N 0.78 4.35 -0.24 -0.88 0.20 -0.13 -0.34 118.68 122.41 1ily s LEU 25 Ca 0.07 0.85 -0.02 0.00 0.69 0.00 0.00 54.13 55.71 1ily s LEU 25 Cb -0.13 -3.04 0.13 0.00 -0.43 0.00 0.00 46.19 42.72 1ily s LEU 25 CO 0.02 0.16 0.35 -0.44 -0.29 0.00 0.00 176.35 176.15 1ily s SER 26 N -1.75 0.54 -0.17 3.68 0.01 0.96 -2.08 113.70 114.89 1ily s SER 26 Ca 0.34 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.49 1ily s SER 26 Cb -0.14 0.95 -0.05 0.00 0.21 0.00 0.00 66.02 66.99 1ily s SER 26 CO 0.18 -0.32 0.30 0.54 0.41 0.00 0.00 173.24 174.35 1ily s VAL 27 N 2.50 5.30 -0.16 3.43 0.11 -1.26 0.49 120.40 130.81 1ily s VAL 27 Ca 0.11 0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 59.70 1ily s VAL 27 Cb -0.15 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1ily s VAL 27 CO -0.18 0.37 -0.12 0.12 -3.33 0.00 0.00 175.10 171.96 1ily s PHE 28 N 0.57 2.83 -0.13 1.54 5.36 0.26 -4.90 117.98 123.50 1ily s PHE 28 Ca 0.16 -0.89 -0.00 0.00 -0.96 0.00 0.00 56.93 55.23 1ily s PHE 28 Cb -0.13 -1.91 0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1ily s PHE 28 CO 0.04 -0.40 -0.07 0.50 -1.46 0.00 0.00 175.22 173.83 1ily s ARG 29 N 0.78 1.48 -0.16 10.12 6.06 -1.26 -0.88 118.95 135.09 1ily s ARG 29 Ca -0.05 -0.32 -0.14 0.00 -2.50 0.00 0.00 55.73 52.71 1ily s ARG 29 Cb -0.15 -1.70 -0.23 0.00 0.06 0.00 0.00 34.95 32.93 1ily s ARG 29 CO 0.01 -0.32 0.29 0.43 -2.50 0.00 0.00 175.30 173.21 1ily n SER 30 N 4.93 1.99 0.00 -2.12 7.64 -1.09 -5.00 113.62 119.97 1ily n SER 30 Ca -0.12 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1ily n SER 30 Cb 0.49 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1ily n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ily n LEU 31 N -3.97 0.00 -0.03 -3.43 -0.00 -1.26 -4.92 117.00 103.39 1ily n LEU 31 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 1ily n LEU 31 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.29 1ily n LEU 31 CO 0.31 0.00 0.24 0.29 -0.00 0.00 0.00 177.39 178.22 1ily n LYS 32 N 0.00 -0.18 -3.80 1.47 5.02 -1.26 -4.91 118.16 114.51 1ily n LYS 32 Ca 0.00 -0.50 -0.37 0.00 -2.02 0.00 0.00 58.31 55.43 1ily n LYS 32 Cb 0.00 -0.97 -0.13 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.16 3.23 -0.19 2.13 3.76 -1.26 -4.02 115.29 118.78 1ily s HIS 33 Ca 0.01 -1.45 -0.10 0.00 -0.15 0.00 0.00 55.06 53.37 1ily s HIS 33 Cb 0.01 -2.23 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 1ily s HIS 33 CO 0.01 -0.72 0.13 -1.50 -0.85 0.00 0.00 174.74 171.82 1ily s ILE 34 N 1.38 5.42 -0.04 0.60 2.07 -1.26 -2.66 121.20 126.72 1ily s ILE 34 Ca -0.02 0.20 -0.13 0.00 -1.41 0.00 0.00 60.65 59.29 1ily s ILE 34 Cb -0.19 -3.46 0.02 0.00 0.13 0.00 0.00 42.46 38.96 1ily s ILE 34 CO 0.02 0.46 0.30 -0.31 -1.91 0.00 0.00 174.94 173.50 1ily s TYR 35 N 0.18 -0.20 -0.06 3.50 1.51 -0.06 -3.59 117.35 118.64 1ily s TYR 35 Ca 0.09 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.53 1ily s TYR 35 Cb -0.11 0.09 0.02 0.00 -0.11 0.00 0.00 41.96 41.85 1ily s TYR 35 CO -0.01 -0.33 -0.07 0.00 -1.11 0.00 0.00 175.55 174.03 1ily s ALA 36 N -1.00 0.89 -0.25 3.71 0.00 -0.50 0.88 121.76 125.50 1ily s ALA 36 Ca -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1ily s ALA 36 Cb -0.05 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.59 1ily s ALA 36 CO 0.03 -0.04 -0.09 -1.14 0.00 0.00 0.00 175.76 174.52 1ily s GLN 37 N 0.98 2.56 -0.51 0.00 0.74 0.18 -1.99 119.66 121.61 1ily s GLN 37 Ca -0.10 -1.15 -0.16 0.00 0.05 0.00 0.00 55.36 54.01 1ily s GLN 37 Cb -0.14 -2.91 0.11 0.00 1.10 0.00 0.00 33.01 31.16 1ily s GLN 37 CO 0.00 -0.47 0.45 0.42 -0.55 0.00 0.00 175.29 175.14 1ily s ILE 38 N 1.22 5.20 0.27 -2.34 -1.09 0.31 -0.03 121.20 124.74 1ily s ILE 38 Ca -0.04 -1.32 0.07 0.00 -2.23 0.00 0.00 60.65 57.13 1ily s ILE 38 Cb -0.18 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1ily s ILE 38 CO -0.06 -0.74 0.24 -0.63 -1.23 0.00 0.00 174.94 172.52 1ily s ILE 39 N 1.61 4.41 -0.30 2.92 1.09 0.54 -1.70 121.20 129.77 1ily s ILE 39 Ca 0.03 -1.33 -0.18 0.00 -1.10 0.00 0.00 60.65 58.07 1ily s ILE 39 Cb -0.27 -3.43 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 1ily s ILE 39 CO 0.04 -0.32 0.54 -0.62 -0.10 0.00 0.00 174.94 174.49 1ily s ASP 40 N -3.89 6.41 -0.15 3.58 -1.08 0.24 0.39 116.67 122.17 1ily s ASP 40 Ca 0.35 0.35 0.08 0.00 -0.52 0.00 0.00 52.55 52.80 1ily s ASP 40 Cb -0.08 -2.29 0.48 0.00 -1.46 0.00 0.00 42.92 39.58 1ily s ASP 40 CO 0.26 -0.38 1.26 -0.67 0.52 0.00 0.00 175.17 176.16 1ily n ASP 41 N 5.68 3.81 -0.09 -0.34 2.03 0.32 -2.53 116.55 125.43 1ily n ASP 41 Ca -0.04 -2.58 -0.18 0.00 0.52 0.00 0.00 54.79 52.52 1ily n ASP 41 Cb 0.49 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.32 0.37 -3.86 -0.67 2.13 -1.11 -4.73 120.64 113.10 1ily n GLU 42 Ca 0.18 0.15 -0.26 0.00 0.66 0.00 0.00 57.16 57.89 1ily n GLU 42 Cb 0.84 -1.15 -0.17 0.00 0.27 0.00 0.00 31.44 31.23 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 -2.32 1.24 -0.91 5.31 -0.14 -1.24 -5.04 119.74 116.64 1ily s LYS 43 Ca -0.24 -0.25 -0.15 0.00 -1.36 0.00 0.00 55.97 53.98 1ily s LYS 43 Cb 0.09 -1.59 -0.26 0.00 -1.68 0.00 0.00 37.83 34.39 1ily s LYS 43 CO 0.32 -0.34 2.21 0.41 -0.76 0.00 0.00 175.35 177.18 1ily n GLY 44 N 4.98 -0.37 2.72 -3.33 0.00 -1.20 -4.35 105.19 103.63 1ily n GLY 44 Ca -0.11 0.10 -0.26 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 5.13 0.34 -0.46 1.61 1.01 -1.05 -4.93 120.40 122.06 1ily s VAL 45 Ca 1.15 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 1ily s VAL 45 Cb -0.58 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1ily s VAL 45 CO 0.39 -0.11 1.29 -0.89 0.00 0.00 0.00 175.10 175.78 1ily s THR 46 N 1.95 4.03 -0.20 3.92 2.01 -1.26 0.79 115.64 126.88 1ily s THR 46 Ca 0.01 1.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.87 1ily s THR 46 Cb -0.16 -4.41 -0.13 0.00 0.01 0.00 0.00 72.50 67.81 1ily s THR 46 CO -0.07 -0.92 0.02 0.18 -0.69 0.00 0.00 174.62 173.14 1ily n LEU 47 N 8.44 1.86 -4.27 4.42 4.32 -0.69 -4.98 117.00 126.11 1ily n LEU 47 Ca 0.14 0.47 -0.26 0.00 -0.02 0.00 0.00 56.01 56.34 1ily n LEU 47 Cb 0.49 -0.92 -0.14 0.00 -1.62 0.00 0.00 43.42 41.23 1ily n LEU 47 CO 0.71 0.09 -0.53 -0.69 -1.22 0.00 0.00 177.39 175.75 1ily s VAL 48 N -2.37 1.73 -0.20 4.08 1.01 -0.98 -5.01 120.40 118.65 1ily s VAL 48 Ca -0.26 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 1ily s VAL 48 Cb 0.06 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 35.02 1ily s VAL 48 CO 0.47 0.17 0.36 -0.94 0.00 0.00 0.00 175.10 175.16 1ily s SER 49 N -1.33 0.20 0.25 3.32 1.04 -1.25 -0.53 113.70 115.40 1ily s SER 49 Ca 0.08 0.50 0.07 0.00 0.48 0.00 0.00 55.95 57.08 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 0.00 173.24 173.88 1ily s ALA 50 N 2.53 2.23 -0.16 5.32 0.00 -0.84 -4.96 121.76 125.88 1ily s ALA 50 Ca 0.06 -1.81 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 1ily s ALA 50 Cb -0.14 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1ily s ALA 50 CO -0.13 -0.01 0.37 -1.54 0.00 0.00 0.00 175.76 174.44 1ily s SER 51 N -3.40 -0.33 0.24 0.00 1.04 -1.26 -1.41 113.70 108.59 1ily s SER 51 Ca 0.27 0.82 -0.06 0.00 0.48 0.00 0.00 55.95 57.46 1ily s SER 51 Cb 0.02 0.82 0.25 0.00 0.10 0.00 0.00 66.02 67.20 1ily s SER 51 CO 0.10 -0.20 1.86 0.28 0.98 0.00 0.00 173.24 176.26 1ily h SER 52 N 7.48 1.08 0.00 7.02 0.02 -1.93 -1.66 113.55 125.56 1ily h SER 52 Ca -0.31 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1ily h SER 52 Cb 1.16 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1ily h SER 52 CO 0.26 0.88 0.11 0.17 -1.14 0.00 0.00 176.83 177.10 1ily h LEU 53 N 1.20 0.00 0.01 5.07 8.10 -1.81 -2.26 115.31 125.62 1ily h LEU 53 Ca 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.26 1ily h LEU 53 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1ily h LEU 53 CO -0.05 0.00 -0.12 0.00 -4.11 0.00 0.00 178.44 174.17 1ily h ALA 54 N 1.77 -0.00 -0.96 0.17 0.00 -1.48 -3.30 119.26 115.46 1ily h ALA 54 Ca 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 54.91 54.58 1ily h ALA 54 Cb 0.21 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 1ily h ALA 54 CO 0.00 0.02 0.57 -0.07 0.00 0.00 0.00 179.25 179.77 1ily h LEU 55 N -0.81 0.75 0.00 0.00 4.07 -1.45 -3.43 115.31 114.44 1ily h LEU 55 Ca -0.02 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1ily h LEU 55 Cb 1.01 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1ily h LEU 55 CO 0.02 0.32 0.00 1.17 -1.08 0.00 0.00 178.44 178.88 1ily n LYS 56 N -4.75 0.00 -0.78 1.13 4.81 -1.19 -5.15 118.16 112.22 1ily n LYS 56 Ca 0.20 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.31 1ily n LYS 56 Cb 0.47 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.64 1ily n LYS 56 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ily n LEU 57 N 0.00 -0.26 0.00 3.14 4.77 -1.09 -4.95 117.00 118.61 1ily n LEU 57 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1ily n LEU 57 Cb 0.00 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1ily n LEU 57 CO 0.00 -3.55 -0.47 2.29 -1.33 0.00 0.00 177.39 174.33 1ily n LYS 58 N -1.83 1.50 0.00 3.23 2.85 -1.26 -4.25 118.16 118.40 1ily n LYS 58 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1ily n LYS 58 Cb 0.54 -0.97 0.00 0.00 -0.65 0.00 0.00 35.03 33.95 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 3.19 -0.27 0.00 2.58 0.00 -1.26 -4.82 105.19 104.61 1ily n GLY 59 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ily n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ily n ASN 60 N 0.00 0.00 0.00 1.61 2.85 -1.26 -4.79 115.26 113.67 1ily n ASN 60 Ca 0.00 -0.86 0.00 0.00 -0.11 0.00 0.00 54.58 53.61 1ily n ASN 60 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1ily n ASN 60 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1ily n LYS 61 N -0.86 0.00 -1.76 1.20 4.81 -1.26 -4.86 118.16 115.43 1ily n LYS 61 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1ily n LYS 61 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ily n THR 62 N 0.00 3.89 0.00 3.15 -2.24 -1.26 -4.50 114.28 113.32 1ily n THR 62 Ca 0.00 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.04 1ily n THR 62 Cb 0.00 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 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 0.58 0.00 0.02 -0.78 2.13 -1.26 -4.76 120.64 116.57 1ily n GLU 63 Ca 0.52 0.06 0.11 0.00 0.66 0.00 0.00 57.16 58.51 1ily n GLU 63 Cb 0.41 -0.35 0.04 0.00 0.27 0.00 0.00 31.44 31.80 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 -1.68 0.14 -0.17 6.31 0.31 -1.26 -4.50 118.33 117.48 1ily n VAL 64 Ca 0.00 -0.20 0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1ily n VAL 64 Cb 0.00 0.27 0.21 0.00 -0.91 0.00 0.00 33.84 33.41 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 -1.77 0.37 0.33 3.52 0.00 -1.26 0.13 120.51 121.83 1ily n ALA 65 Ca 0.02 0.54 -0.14 0.00 0.00 0.00 0.00 53.44 53.87 1ily n ALA 65 Cb 0.42 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.85 -0.97 0.00 2.43 -1.74 -1.05 114.38 112.20 1ily h ARG 66 Ca 0.36 0.06 0.28 0.00 -0.81 0.00 0.00 59.98 59.87 1ily h ARG 66 Cb 0.85 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1ily h ARG 66 CO -0.45 -0.57 0.81 1.96 -1.51 0.00 0.00 179.97 180.21 1ily h GLN 67 N -1.16 0.00 -0.22 0.20 4.20 0.74 1.90 115.11 120.77 1ily h GLN 67 Ca -0.09 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 1ily h GLN 67 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1ily h GLN 67 CO 0.15 0.00 -0.61 -0.24 -0.67 0.00 0.00 178.83 177.46 1ily h VAL 68 N 0.00 1.30 0.43 -0.54 3.04 0.47 -2.23 116.25 118.72 1ily h VAL 68 Ca 0.46 -1.83 -0.02 0.00 -1.01 0.00 0.00 66.70 64.30 1ily h VAL 68 Cb 2.07 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 33.14 1ily h VAL 68 CO -0.00 0.58 -0.21 1.23 -1.01 0.00 0.00 177.57 178.16 1ily h GLY 69 N 0.82 -0.60 -0.74 3.17 0.00 0.42 -1.69 103.07 104.45 1ily h GLY 69 Ca -0.00 0.22 0.37 0.00 0.00 0.00 0.00 47.33 47.92 1ily h GLY 69 CO 0.12 -0.22 0.81 0.07 0.00 0.00 0.00 176.54 177.33 1ily h ARG 70 N -0.96 0.18 0.02 4.80 -0.00 0.81 1.26 114.38 120.48 1ily h ARG 70 Ca -0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.91 1ily h ARG 70 Cb 0.56 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.49 1ily h ARG 70 CO 0.10 0.12 -0.01 0.00 -0.00 0.00 0.00 179.97 180.18 1ily h ALA 71 N 1.57 -0.02 0.23 0.08 0.00 -1.09 0.38 119.26 120.41 1ily h ALA 71 Ca 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1ily h ALA 71 Cb 2.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1ily h ALA 71 CO -0.32 -0.41 -0.11 -0.07 0.00 0.00 0.00 179.25 178.34 1ily h LEU 72 N -0.23 -0.26 -2.01 0.00 3.38 0.20 -1.02 115.31 115.38 1ily h LEU 72 Ca -0.00 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1ily h LEU 72 Cb 0.22 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ily h LEU 72 CO 0.00 -0.06 0.43 0.00 0.09 0.00 0.00 178.44 178.90 1ily h ALA 73 N 0.28 2.27 -0.02 1.53 0.00 0.95 1.32 119.26 125.60 1ily h ALA 73 Ca -0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1ily h ALA 73 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ily h ALA 73 CO 0.05 -0.67 -0.81 1.49 0.00 0.00 0.00 179.25 179.31 1ily h GLU 74 N 0.00 0.21 0.10 0.00 4.81 0.80 -1.70 114.58 118.81 1ily h GLU 74 Ca 0.23 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ily h GLU 74 Cb 1.08 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ily h GLU 74 CO -0.00 0.92 -0.05 0.87 -0.73 0.00 0.00 179.01 180.01 1ily h LYS 75 N 0.13 -0.13 -0.91 1.92 1.57 0.26 -2.99 116.57 116.42 1ily h LYS 75 Ca -0.04 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.01 1ily h LYS 75 Cb 1.41 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.61 1ily h LYS 75 CO 0.13 -0.09 0.34 0.00 -0.57 0.00 0.00 179.45 179.25 1ily h ALA 76 N -1.41 1.46 -1.01 3.86 0.00 0.01 1.06 119.26 123.23 1ily h ALA 76 Ca -0.01 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1ily h ALA 76 Cb 0.11 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1ily h ALA 76 CO 0.02 -0.48 0.64 -0.07 0.00 0.00 0.00 179.25 179.37 1ily h LEU 77 N 0.26 1.00 -2.02 0.00 3.38 -1.41 0.54 115.31 117.06 1ily h LEU 77 Ca 0.60 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.67 1ily h LEU 77 Cb 1.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1ily h LEU 77 CO -0.63 0.59 0.38 0.00 0.09 0.00 0.00 178.44 178.88 1ily h ALA 78 N 1.49 1.88 0.00 1.53 0.00 0.13 0.93 119.26 125.22 1ily h ALA 78 Ca 0.46 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.12 1ily h ALA 78 Cb 0.30 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1ily h ALA 78 CO -0.21 -0.52 -1.54 -0.07 0.00 0.00 0.00 179.25 176.91 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.86 -3.48 115.31 114.36 1ily h LEU 79 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ily h LEU 79 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ily h LEU 79 CO -0.00 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1ily n GLY 80 N 1.48 1.35 3.61 0.83 0.00 0.32 -5.06 105.19 107.72 1ily n GLY 80 Ca -0.13 0.00 -0.43 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 3.52 -0.19 -0.61 1.09 -0.92 -4.85 121.20 117.25 1ily s ILE 81 Ca 0.00 0.55 -0.15 0.00 -1.10 0.00 0.00 60.65 59.95 1ily s ILE 81 Cb 0.00 -3.66 -0.07 0.00 -1.06 0.00 0.00 42.46 37.66 1ily s ILE 81 CO 0.00 -0.39 -0.24 1.17 -0.10 0.00 0.00 174.94 175.38 1ily n LYS 82 N 8.25 0.52 -4.24 2.79 4.81 -1.26 -4.29 118.16 124.75 1ily n LYS 82 Ca 0.22 0.36 -0.30 0.00 -0.87 0.00 0.00 58.31 57.71 1ily n LYS 82 Cb 0.46 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 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 -2.59 2.39 0.20 1.64 -0.21 -1.26 0.17 119.66 120.01 1ily s GLN 83 Ca -0.26 -0.88 0.03 0.00 0.02 0.00 0.00 55.36 54.27 1ily s GLN 83 Cb 0.05 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 1ily s GLN 83 CO 0.39 0.54 -0.00 0.08 -2.12 0.00 0.00 175.29 174.18 1ily s VAL 84 N -1.21 0.89 -0.76 1.09 1.01 0.15 -4.26 120.40 117.32 1ily s VAL 84 Ca 0.22 -2.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.13 1ily s VAL 84 Cb -0.11 -2.24 0.19 0.00 0.00 0.00 0.00 36.38 34.22 1ily s VAL 84 CO 0.14 -0.40 0.63 0.00 0.00 0.00 0.00 175.10 175.48 1ily s ALA 85 N -3.51 3.91 -0.42 5.51 0.00 0.19 -4.28 121.76 123.15 1ily s ALA 85 Ca 0.26 -3.43 -0.28 0.00 0.00 0.00 0.00 51.96 48.52 1ily s ALA 85 Cb 0.06 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1ily s ALA 85 CO 0.07 -2.17 1.07 0.12 0.00 0.00 0.00 175.76 174.84 1ily s PHE 86 N -0.32 2.95 -0.24 0.00 2.19 -1.25 -0.96 117.98 120.36 1ily s PHE 86 Ca 0.20 0.81 -0.03 0.00 0.33 0.00 0.00 56.93 58.24 1ily s PHE 86 Cb -0.15 -4.07 0.13 0.00 -1.31 0.00 0.00 43.02 37.62 1ily s PHE 86 CO -0.07 -1.06 0.37 -0.51 1.83 0.00 0.00 175.22 175.79 1ily s ASP 87 N 2.14 0.26 -0.04 6.13 1.01 -0.88 -4.96 116.67 120.33 1ily s ASP 87 Ca 0.45 0.27 0.22 0.00 0.71 0.00 0.00 52.55 54.20 1ily s ASP 87 Cb -0.09 1.09 -0.32 0.00 1.01 0.00 0.00 42.92 44.60 1ily s ASP 87 CO 0.25 -0.29 0.44 -1.14 0.21 0.00 0.00 175.17 174.64 1ily n ARG 88 N 5.36 0.66 0.00 8.23 3.00 -1.26 -4.75 116.66 127.90 1ily n ARG 88 Ca -0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 1ily n ARG 88 Cb 0.50 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1ily n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ily n GLY 89 N 1.31 1.26 1.70 5.14 0.00 -1.26 -4.66 105.19 108.68 1ily n GLY 89 Ca -0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 1.67 -3.81 1.61 -0.04 -1.26 -4.91 135.00 128.26 1ily n PRO 90 Ca 0.00 -1.47 -0.36 0.00 -0.04 0.00 0.00 63.50 61.63 1ily n PRO 90 Cb 0.00 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ily s TYR 91 N -1.65 3.52 0.10 0.54 1.51 -1.26 -5.10 117.35 115.01 1ily s TYR 91 Ca 0.28 0.45 0.04 0.00 -1.01 0.00 0.00 57.07 56.84 1ily s TYR 91 Cb 0.23 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1ily s TYR 91 CO 0.03 0.55 -0.11 0.21 -1.11 0.00 0.00 175.55 175.11 1ily s LYS 92 N -0.43 0.89 -0.85 -0.62 2.47 -1.26 -4.94 119.74 114.99 1ily s LYS 92 Ca 0.12 -1.16 -0.26 0.00 -1.56 0.00 0.00 55.97 53.11 1ily s LYS 92 Cb -0.12 -0.65 -0.19 0.00 -1.46 0.00 0.00 37.83 35.42 1ily s LYS 92 CO 0.02 0.11 2.53 0.98 0.16 0.00 0.00 175.35 179.15 1ily n TYR 93 N 0.60 0.76 0.00 4.03 9.36 -1.26 -4.77 117.16 125.88 1ily n TYR 93 Ca -0.16 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1ily n TYR 93 Cb 0.57 -2.21 0.00 0.00 -0.63 0.00 0.00 39.34 37.07 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 11.91 0.00 0.00 2.98 -0.00 -1.26 -5.08 115.22 123.77 1ily n HIS 94 Ca 0.57 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1ily n HIS 94 Cb 0.21 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 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 4.25 0.00 0.00 1.57 0.00 -1.26 -4.95 105.19 104.80 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 -0.59 0.00 -0.34 1.61 5.12 -1.26 -4.13 116.66 117.06 1ily n ARG 96 Ca 0.00 0.31 0.28 0.00 -1.93 0.00 0.00 57.85 56.51 1ily n ARG 96 Cb 0.00 -0.80 0.46 0.00 -1.16 0.00 0.00 32.46 30.97 1ily n ARG 96 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ily n VAL 97 N -1.99 -0.14 0.00 1.55 0.31 -1.26 -1.05 118.33 115.75 1ily n VAL 97 Ca 0.00 1.16 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 1ily n VAL 97 Cb 0.00 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 1ily n VAL 97 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ily n LYS 98 N -3.88 0.00 -0.30 5.55 0.00 -1.26 0.98 118.16 119.25 1ily n LYS 98 Ca 0.27 0.18 0.13 0.00 -0.00 0.00 0.00 58.31 58.89 1ily n LYS 98 Cb 1.08 -1.13 0.29 0.00 -0.00 0.00 0.00 35.03 35.28 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ily h ALA 99 N -2.00 1.28 -0.04 0.58 0.00 -1.25 0.31 119.26 118.15 1ily h ALA 99 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ily h ALA 99 Cb 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ily h ALA 99 CO 0.00 -0.47 -0.02 1.25 0.00 0.00 0.00 179.25 180.01 1ily h LEU 100 N 0.20 0.08 -1.75 0.00 6.46 -1.23 -2.19 115.31 116.88 1ily h LEU 100 Ca 0.56 -0.40 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 1ily h LEU 100 Cb 1.12 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1ily h LEU 100 CO -0.66 0.47 0.40 0.00 -0.62 0.00 0.00 178.44 178.02 1ily h ALA 101 N 0.62 2.18 -0.36 1.25 0.00 0.30 0.45 119.26 123.70 1ily h ALA 101 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ily h ALA 101 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ily h ALA 101 CO 0.01 -0.33 -0.23 0.93 0.00 0.00 0.00 179.25 179.63 1ily h GLU 102 N 0.27 0.79 -0.20 0.00 5.08 -0.31 0.39 114.58 120.61 1ily h GLU 102 Ca 0.27 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ily h GLU 102 Cb 0.72 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1ily h GLU 102 CO -0.06 1.00 -0.44 0.78 -1.00 0.00 0.00 179.01 179.29 1ily h GLY 103 N 0.58 -0.73 1.56 -3.84 0.00 0.46 10.01 103.07 111.11 1ily h GLY 103 Ca 0.07 0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.93 1ily h GLY 103 CO 0.06 -0.21 0.12 0.00 0.00 0.00 0.00 176.54 176.52 1ily h ALA 104 N 0.13 1.48 0.00 3.60 0.00 -0.96 0.94 119.26 124.44 1ily h ALA 104 Ca 0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 104 Cb 0.63 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ily h ALA 104 CO -0.44 0.39 -1.33 -0.09 0.00 0.00 0.00 179.25 177.78 1ily h ARG 105 N 0.57 0.00 0.09 0.00 9.65 0.16 0.49 114.38 125.34 1ily h ARG 105 Ca 0.13 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.75 1ily h ARG 105 Cb 0.18 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1ily h ARG 105 CO -0.01 0.39 -1.15 1.05 2.80 0.00 0.00 179.97 183.04 1ily h GLU 106 N 0.00 0.41 -0.26 0.20 4.11 2.22 -3.30 114.58 117.96 1ily h GLU 106 Ca -0.16 -0.56 -0.09 0.00 0.07 0.00 0.00 59.36 58.62 1ily h GLU 106 Cb 1.64 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 1ily h GLU 106 CO 0.06 1.23 -0.20 0.78 0.07 0.00 0.00 179.01 180.95 1ily h GLY 107 N 1.11 0.65 0.00 1.06 0.00 0.73 -3.47 103.07 103.14 1ily h GLY 107 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1ily h GLY 107 CO 0.20 0.57 0.00 0.61 0.00 0.00 0.00 176.54 177.92 1ily n GLY 108 N 0.08 0.02 3.78 4.60 0.00 -1.12 -4.74 105.19 107.82 1ily n GLY 108 Ca -0.04 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 3.70 -0.37 0.99 1.02 0.17 -4.66 118.68 119.53 1ily s LEU 109 Ca 0.00 2.06 0.01 0.00 0.02 0.00 0.00 54.13 56.22 1ily s LEU 109 Cb 0.00 -4.57 0.11 0.00 0.02 0.00 0.00 46.19 41.76 1ily s LEU 109 CO 0.00 -1.16 0.15 -1.61 0.02 0.00 0.00 176.35 173.74 1ily s GLU 110 N -3.45 1.09 0.00 1.70 8.01 0.44 -3.52 118.70 122.97 1ily s GLU 110 Ca 0.70 -1.59 0.00 0.00 0.01 0.00 0.00 54.97 54.08 1ily s GLU 110 Cb -0.21 -2.36 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 1ily s GLU 110 CO 0.28 -1.05 0.16 1.97 0.01 0.00 0.00 175.26 176.63