#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 2.84 -0.22 6.15 1.02 -1.26 0.48 118.68 127.68 1ily s LEU 23 Ca 0.00 -0.23 -0.09 0.00 0.02 0.00 0.00 54.13 53.83 1ily s LEU 23 Cb 0.00 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1ily s LEU 23 CO 0.00 0.24 0.12 -0.60 0.02 0.00 0.00 176.35 176.13 1ily s ARG 24 N -0.12 4.00 0.11 1.70 3.52 0.17 0.24 118.95 128.57 1ily s ARG 24 Ca -0.01 -0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 55.11 1ily s ARG 24 Cb -0.14 -3.41 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 1ily s ARG 24 CO 0.03 0.11 0.57 -1.17 -0.81 0.00 0.00 175.30 174.03 1ily s LEU 25 N 0.88 4.44 -0.21 -0.88 0.20 0.83 -0.58 118.68 123.35 1ily s LEU 25 Ca 0.06 1.19 -0.04 0.00 0.69 0.00 0.00 54.13 56.03 1ily s LEU 25 Cb -0.13 -3.07 0.10 0.00 -0.43 0.00 0.00 46.19 42.65 1ily s LEU 25 CO 0.03 0.20 0.22 -0.44 -0.29 0.00 0.00 176.35 176.06 1ily s SER 26 N -1.38 1.54 -0.30 3.68 0.01 0.88 -2.82 113.70 115.31 1ily s SER 26 Ca 0.33 -0.34 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 1ily s SER 26 Cb -0.17 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1ily s SER 26 CO 0.19 -0.34 0.46 0.54 0.41 0.00 0.00 173.24 174.50 1ily s VAL 27 N 2.31 5.09 0.02 3.43 0.11 -1.26 0.52 120.40 130.61 1ily s VAL 27 Ca 0.07 0.52 -0.03 0.00 -2.93 0.00 0.00 61.98 59.61 1ily s VAL 27 Cb -0.16 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 1ily s VAL 27 CO -0.15 -0.02 0.22 0.12 -3.33 0.00 0.00 175.10 171.94 1ily s PHE 28 N 2.25 3.54 -0.17 1.54 5.36 0.21 -4.91 117.98 125.80 1ily s PHE 28 Ca 0.18 0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 56.47 1ily s PHE 28 Cb -0.16 -1.85 0.07 0.00 -0.34 0.00 0.00 43.02 40.74 1ily s PHE 28 CO 0.11 0.61 0.36 1.03 -1.46 0.00 0.00 175.22 175.88 1ily s ARG 29 N -2.08 0.27 0.00 10.12 0.52 -1.26 -0.53 118.95 126.00 1ily s ARG 29 Ca 0.30 0.88 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 1ily s ARG 29 Cb -0.13 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1ily s ARG 29 CO 0.21 -0.24 0.00 -1.13 0.02 0.00 0.00 175.30 174.16 1ily n SER 30 N 5.11 0.00 0.14 0.23 3.41 -1.22 -5.01 113.62 116.28 1ily n SER 30 Ca -0.11 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1ily n SER 30 Cb 0.51 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1ily n SER 30 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ily n LEU 31 N -1.92 -0.65 -0.04 1.04 7.94 -1.26 -4.91 117.00 117.20 1ily n LEU 31 Ca 0.00 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1ily n LEU 31 Cb 0.00 0.79 0.01 0.00 0.53 0.00 0.00 43.42 44.75 1ily n LEU 31 CO 0.00 -0.62 0.33 2.29 -1.11 0.00 0.00 177.39 178.28 1ily n LYS 32 N -3.33 0.12 -3.99 1.96 2.85 -1.26 -5.04 118.16 109.47 1ily n LYS 32 Ca 0.00 -0.81 -0.25 0.00 -1.05 0.00 0.00 58.31 56.20 1ily n LYS 32 Cb 0.00 -1.02 -0.04 0.00 -0.65 0.00 0.00 35.03 33.32 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1ily s HIS 33 N -0.31 3.37 -0.08 5.58 3.76 -1.26 -4.31 115.29 122.04 1ily s HIS 33 Ca 0.01 0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 54.95 1ily s HIS 33 Cb 0.01 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 32.14 1ily s HIS 33 CO 0.01 0.51 0.14 -1.50 -0.85 0.00 0.00 174.74 173.05 1ily s ILE 34 N -1.78 -0.23 -0.15 0.60 1.10 -1.26 -3.46 121.20 116.02 1ily s ILE 34 Ca 0.33 0.36 -0.03 0.00 -0.51 0.00 0.00 60.65 60.80 1ily s ILE 34 Cb -0.10 -0.27 0.05 0.00 0.15 0.00 0.00 42.46 42.29 1ily s ILE 34 CO 0.27 0.15 0.05 -0.31 -2.11 0.00 0.00 174.94 172.99 1ily s TYR 35 N 2.27 0.59 -0.25 3.50 1.51 0.31 -2.93 117.35 122.35 1ily s TYR 35 Ca 0.04 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.49 1ily s TYR 35 Cb -0.12 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1ily s TYR 35 CO -0.05 -0.48 0.45 0.00 -1.11 0.00 0.00 175.55 174.35 1ily s ALA 36 N 2.00 3.57 -0.31 3.71 0.00 0.06 0.64 121.76 131.43 1ily s ALA 36 Ca 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1ily s ALA 36 Cb -0.15 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1ily s ALA 36 CO -0.07 -0.63 0.09 -1.14 0.00 0.00 0.00 175.76 174.01 1ily s GLN 37 N 2.04 2.95 -0.59 0.00 2.00 0.18 -1.96 119.66 124.29 1ily s GLN 37 Ca 0.19 -0.96 -0.18 0.00 -2.00 0.00 0.00 55.36 52.42 1ily s GLN 37 Cb -0.16 -3.40 0.12 0.00 0.80 0.00 0.00 33.01 30.37 1ily s GLN 37 CO 0.09 -0.51 0.64 0.42 -0.50 0.00 0.00 175.29 175.43 1ily s ILE 38 N 1.47 4.99 0.32 -2.34 -1.09 0.14 -0.08 121.20 124.61 1ily s ILE 38 Ca 0.01 -1.24 0.05 0.00 -2.23 0.00 0.00 60.65 57.24 1ily s ILE 38 Cb -0.18 -4.44 -0.02 0.00 -1.58 0.00 0.00 42.46 36.25 1ily s ILE 38 CO 0.03 -1.04 0.47 -0.63 -1.23 0.00 0.00 174.94 172.54 1ily s ILE 39 N 2.20 4.52 -0.34 2.92 1.09 0.25 -1.22 121.20 130.61 1ily s ILE 39 Ca 0.09 -0.89 -0.18 0.00 -1.10 0.00 0.00 60.65 58.57 1ily s ILE 39 Cb -0.26 -3.59 -0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1ily s ILE 39 CO 0.04 -0.26 0.52 -0.62 -0.10 0.00 0.00 174.94 174.52 1ily s ASP 40 N -4.11 6.34 -0.16 3.58 -1.08 0.28 0.42 116.67 121.94 1ily s ASP 40 Ca 0.42 0.04 0.06 0.00 -0.52 0.00 0.00 52.55 52.54 1ily s ASP 40 Cb -0.09 -2.27 0.42 0.00 -1.46 0.00 0.00 42.92 39.51 1ily s ASP 40 CO 0.32 -0.47 1.26 -0.67 0.52 0.00 0.00 175.17 176.12 1ily n ASP 41 N 5.75 3.51 -0.07 -0.34 -0.08 0.18 -2.54 116.55 122.96 1ily n ASP 41 Ca -0.04 -2.60 -0.13 0.00 -1.51 0.00 0.00 54.79 50.51 1ily n ASP 41 Cb 0.49 -0.62 -0.05 0.00 2.34 0.00 0.00 41.12 43.27 1ily n ASP 41 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ily n GLU 42 N 0.14 0.30 -3.79 -0.67 0.28 -1.08 -4.75 120.64 111.07 1ily n GLU 42 Ca 0.20 0.11 -0.25 0.00 -0.16 0.00 0.00 57.16 57.06 1ily n GLU 42 Cb 0.86 -1.08 -0.17 0.00 1.43 0.00 0.00 31.44 32.48 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ily s LYS 43 N -2.25 0.82 -0.81 3.44 -0.14 -1.24 -5.04 119.74 114.52 1ily s LYS 43 Ca -0.18 -0.06 -0.13 0.00 -1.36 0.00 0.00 55.97 54.23 1ily s LYS 43 Cb 0.06 -1.30 -0.24 0.00 -1.68 0.00 0.00 37.83 34.68 1ily s LYS 43 CO 0.26 -0.35 2.04 0.41 -0.76 0.00 0.00 175.35 176.95 1ily n GLY 44 N 5.08 -0.34 2.68 -3.33 0.00 -1.20 -4.37 105.19 103.72 1ily n GLY 44 Ca -0.09 0.07 -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 4.64 0.18 -0.18 1.61 1.01 -1.05 -4.93 120.40 121.69 1ily s VAL 45 Ca 1.00 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1ily s VAL 45 Cb -0.50 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1ily s VAL 45 CO 0.34 -0.14 1.47 -0.89 0.00 0.00 0.00 175.10 175.89 1ily s THR 46 N 2.02 3.91 -0.11 3.92 2.01 -1.26 0.10 115.64 126.23 1ily s THR 46 Ca 0.02 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.99 1ily s THR 46 Cb -0.15 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1ily s THR 46 CO -0.08 -0.22 -0.18 0.18 -0.69 0.00 0.00 174.62 173.63 1ily n LEU 47 N 7.46 1.28 -4.35 4.42 4.32 -0.36 -4.93 117.00 124.85 1ily n LEU 47 Ca 0.16 0.36 -0.28 0.00 -0.02 0.00 0.00 56.01 56.23 1ily n LEU 47 Cb 0.45 -0.71 -0.14 0.00 -1.62 0.00 0.00 43.42 41.40 1ily n LEU 47 CO 0.61 -0.41 -0.56 -0.69 -1.22 0.00 0.00 177.39 175.12 1ily s VAL 48 N -2.09 2.09 -0.21 4.08 1.01 -0.94 -5.00 120.40 119.35 1ily s VAL 48 Ca -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 1ily s VAL 48 Cb 0.02 -1.84 0.10 0.00 0.00 0.00 0.00 36.38 34.67 1ily s VAL 48 CO 0.23 0.17 0.35 -0.94 0.00 0.00 0.00 175.10 174.91 1ily s SER 49 N -1.70 0.22 0.21 3.32 1.04 -1.26 0.24 113.70 115.77 1ily s SER 49 Ca 0.12 0.48 0.09 0.00 0.48 0.00 0.00 55.95 57.12 1ily s SER 49 Cb -0.10 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 67.02 1ily s SER 49 CO 0.04 -0.27 -0.17 0.00 0.98 0.00 0.00 173.24 173.82 1ily s ALA 50 N 2.52 2.20 -0.10 5.32 0.00 -0.83 -4.97 121.76 125.91 1ily s ALA 50 Ca 0.06 -1.66 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 1ily s ALA 50 Cb -0.14 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1ily s ALA 50 CO -0.13 0.18 0.36 -1.54 0.00 0.00 0.00 175.76 174.62 1ily s SER 51 N -3.13 -0.33 0.21 0.00 1.04 -1.26 -0.76 113.70 109.46 1ily s SER 51 Ca 0.22 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.11 1ily s SER 51 Cb -0.03 0.62 0.25 0.00 0.10 0.00 0.00 66.02 66.96 1ily s SER 51 CO 0.09 -0.23 1.78 0.77 0.98 0.00 0.00 173.24 176.63 1ily h SER 52 N 5.03 0.39 0.28 7.02 4.64 -1.89 -0.06 113.55 128.96 1ily h SER 52 Ca -0.27 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1ily h SER 52 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ily h SER 52 CO 0.31 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.52 1ily n LEU 53 N -4.89 0.00 0.08 5.97 -0.00 -1.26 -2.72 117.00 114.19 1ily n LEU 53 Ca 0.08 0.39 -0.05 0.00 -0.00 0.00 0.00 56.01 56.43 1ily n LEU 53 Cb 0.22 -0.39 -0.03 0.00 -0.00 0.00 0.00 43.42 43.23 1ily n LEU 53 CO 0.26 -0.25 0.13 0.00 -0.00 0.00 0.00 177.39 177.53 1ily h ALA 54 N 2.44 -0.31 -0.84 1.47 0.00 -1.22 -3.35 119.26 117.45 1ily h ALA 54 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1ily h ALA 54 Cb 0.14 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1ily h ALA 54 CO 0.00 -0.29 0.44 -0.07 0.00 0.00 0.00 179.25 179.34 1ily h LEU 55 N -1.08 0.56 0.00 0.00 -0.00 -1.58 -3.44 115.31 109.76 1ily h LEU 55 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1ily h LEU 55 Cb 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1ily h LEU 55 CO 0.05 0.25 0.00 1.17 -0.00 0.00 0.00 178.44 179.91 1ily n LYS 56 N -4.85 0.00 -0.76 1.13 0.00 -1.23 -5.16 118.16 107.30 1ily n LYS 56 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.17 1ily n LYS 56 Cb 0.40 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.55 1ily n LYS 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ily n LEU 57 N 0.00 -2.41 0.00 3.14 4.77 -1.10 -4.92 117.00 116.48 1ily n LEU 57 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ily n LEU 57 Cb 0.00 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1ily n LEU 57 CO 0.00 -2.84 -0.21 0.29 -1.33 0.00 0.00 177.39 173.30 1ily n LYS 58 N -0.26 0.00 0.00 3.23 5.02 -1.26 -4.22 118.16 120.67 1ily n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ily n LYS 58 Cb 0.60 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ily n GLY 59 N 2.29 -1.86 2.01 0.72 0.00 -1.26 -4.83 105.19 102.25 1ily n GLY 59 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 2.34 -2.93 1.61 3.02 -1.26 -4.98 115.26 113.06 1ily n ASN 60 Ca 0.00 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1ily n ASN 60 Cb 0.00 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.66 -0.38 -0.76 3.52 4.01 -1.26 -4.75 118.16 117.88 1ily n LYS 61 Ca -0.10 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.47 1ily n LYS 61 Cb 0.36 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.86 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1ily n THR 62 N -1.86 2.34 -0.09 -0.18 -2.24 -1.26 -4.31 114.28 106.68 1ily n THR 62 Ca 0.00 -1.44 -0.11 0.00 -2.27 0.00 0.00 64.05 60.23 1ily n THR 62 Cb 0.00 -2.13 -0.04 0.00 -2.10 0.00 0.00 70.33 66.05 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 4.44 0.51 0.04 -0.78 2.13 -1.26 -4.62 120.64 121.10 1ily n GLU 63 Ca 0.44 0.40 0.11 0.00 0.66 0.00 0.00 57.16 58.77 1ily n GLU 63 Cb 0.15 -1.59 -0.01 0.00 0.27 0.00 0.00 31.44 30.25 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 -4.50 0.24 -0.21 6.31 0.31 -1.26 -4.45 118.33 114.77 1ily n VAL 64 Ca -0.18 -0.34 0.18 0.00 -0.01 0.00 0.00 64.34 63.99 1ily n VAL 64 Cb 0.47 0.07 0.33 0.00 -0.91 0.00 0.00 33.84 33.80 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 -1.96 0.58 0.31 3.52 0.00 -1.26 0.17 120.51 121.87 1ily n ALA 65 Ca 0.01 0.65 -0.14 0.00 0.00 0.00 0.00 53.44 53.96 1ily n ALA 65 Cb 0.48 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 1ily n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ily h ARG 66 N 0.00 -0.80 -0.33 0.00 2.43 -1.66 0.07 114.38 114.08 1ily h ARG 66 Ca 0.50 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.83 1ily h ARG 66 Cb 1.28 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 1ily h ARG 66 CO -0.51 -0.51 0.58 1.96 -1.51 0.00 0.00 179.97 179.99 1ily h GLN 67 N -1.17 0.00 0.09 0.20 4.20 0.15 1.95 115.11 120.52 1ily h GLN 67 Ca -0.08 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.36 1ily h GLN 67 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1ily h GLN 67 CO 0.14 0.00 -1.25 -0.24 -0.67 0.00 0.00 178.83 176.81 1ily h VAL 68 N 0.00 1.46 0.00 -0.54 3.04 0.74 -2.16 116.25 118.80 1ily h VAL 68 Ca 0.16 -3.10 -0.15 0.00 -1.01 0.00 0.00 66.70 62.60 1ily h VAL 68 Cb 1.33 2.86 -0.02 0.00 -2.01 0.00 0.00 31.29 33.45 1ily h VAL 68 CO -0.00 0.88 -0.71 1.23 -1.01 0.00 0.00 177.57 177.96 1ily h GLY 69 N 2.07 0.00 1.43 3.17 0.00 0.48 -0.04 103.07 110.19 1ily h GLY 69 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.95 1ily h GLY 69 CO 0.17 0.00 -1.05 0.07 0.00 0.00 0.00 176.54 175.73 1ily h ARG 70 N 0.00 0.49 -0.21 4.80 -0.00 -0.05 0.91 114.38 120.32 1ily h ARG 70 Ca -0.01 -0.58 -0.15 0.00 -0.00 0.00 0.00 59.98 59.25 1ily h ARG 70 Cb 1.34 0.18 -0.01 0.00 -0.00 0.00 0.00 29.97 31.48 1ily h ARG 70 CO 0.09 1.21 -0.49 0.00 -0.00 0.00 0.00 179.97 180.78 1ily h ALA 71 N 0.58 0.75 0.24 0.08 0.00 -1.36 0.56 119.26 120.11 1ily h ALA 71 Ca -0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ily h ALA 71 Cb 1.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1ily h ALA 71 CO 0.19 0.67 -0.11 1.25 0.00 0.00 0.00 179.25 181.25 1ily h LEU 72 N 0.44 -0.27 -2.42 0.00 5.85 -0.93 0.17 115.31 118.15 1ily h LEU 72 Ca 0.02 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ily h LEU 72 Cb 1.02 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1ily h LEU 72 CO 0.09 0.18 0.01 0.00 -0.34 0.00 0.00 178.44 178.39 1ily h ALA 73 N -0.25 1.58 0.01 1.25 0.00 0.78 0.72 119.26 123.35 1ily h ALA 73 Ca -0.03 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 73 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ily h ALA 73 CO 0.05 -0.02 -0.95 0.93 0.00 0.00 0.00 179.25 179.27 1ily h GLU 74 N 0.00 0.06 0.04 0.00 5.08 0.37 -1.69 114.58 118.45 1ily h GLU 74 Ca 0.01 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ily h GLU 74 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ily h GLU 74 CO -0.00 0.96 -0.02 0.87 -1.00 0.00 0.00 179.01 179.82 1ily h LYS 75 N 0.03 -0.05 -0.92 2.33 1.57 0.31 -2.72 116.57 117.11 1ily h LYS 75 Ca -0.03 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.02 1ily h LYS 75 Cb 1.65 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.82 1ily h LYS 75 CO 0.13 -0.03 0.31 0.00 -0.57 0.00 0.00 179.45 179.29 1ily h ALA 76 N -1.93 1.46 -0.99 3.86 0.00 0.01 1.01 119.26 122.68 1ily h ALA 76 Ca -0.01 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1ily h ALA 76 Cb 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1ily h ALA 76 CO 0.01 -0.52 0.63 -0.07 0.00 0.00 0.00 179.25 179.30 1ily h LEU 77 N 0.21 0.96 -2.02 0.00 3.38 -1.39 0.57 115.31 117.03 1ily h LEU 77 Ca 0.61 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.68 1ily h LEU 77 Cb 1.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1ily h LEU 77 CO -0.67 0.57 0.38 0.00 0.09 0.00 0.00 178.44 178.81 1ily h ALA 78 N 1.50 1.81 0.00 1.53 0.00 0.14 1.02 119.26 125.27 1ily h ALA 78 Ca 0.45 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.13 1ily h ALA 78 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ily h ALA 78 CO -0.21 -0.51 -1.50 -0.07 0.00 0.00 0.00 179.25 176.96 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -0.88 -3.48 115.31 114.33 1ily h LEU 79 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ily h LEU 79 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ily h LEU 79 CO -0.00 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1ily n GLY 80 N 1.46 1.46 3.58 0.83 0.00 0.35 -5.06 105.19 107.81 1ily n GLY 80 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.90 -0.15 -0.61 1.09 -0.96 -4.85 121.20 117.61 1ily s ILE 81 Ca 0.00 0.79 -0.12 0.00 -1.10 0.00 0.00 60.65 60.23 1ily s ILE 81 Cb 0.00 -4.59 -0.04 0.00 -1.06 0.00 0.00 42.46 36.77 1ily s ILE 81 CO 0.00 -1.26 -0.20 1.17 -0.10 0.00 0.00 174.94 174.55 1ily n LYS 82 N 8.55 0.47 -4.49 2.79 4.81 -1.26 -4.25 118.16 124.78 1ily n LYS 82 Ca 0.10 0.46 -0.34 0.00 -0.87 0.00 0.00 58.31 57.66 1ily n LYS 82 Cb 0.49 -1.64 -0.11 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.40 2.97 0.27 1.64 1.11 -1.26 0.20 119.66 122.19 1ily s GLN 83 Ca -0.19 -0.49 0.06 0.00 0.01 0.00 0.00 55.36 54.76 1ily s GLN 83 Cb 0.03 -2.72 -0.06 0.00 -1.01 0.00 0.00 33.01 29.25 1ily s GLN 83 CO 0.28 0.62 -0.05 0.08 0.01 0.00 0.00 175.29 176.24 1ily s VAL 84 N -0.68 1.54 -0.43 1.09 1.01 0.09 -4.33 120.40 118.68 1ily s VAL 84 Ca 0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 61.98 59.89 1ily s VAL 84 Cb -0.12 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 33.93 1ily s VAL 84 CO 0.02 -0.31 0.28 0.00 0.00 0.00 0.00 175.10 175.09 1ily s ALA 85 N -3.08 3.32 -0.32 5.51 0.00 0.14 -4.02 121.76 123.31 1ily s ALA 85 Ca 0.29 -2.28 -0.28 0.00 0.00 0.00 0.00 51.96 49.69 1ily s ALA 85 Cb 0.04 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1ily s ALA 85 CO 0.11 -1.73 1.01 0.12 0.00 0.00 0.00 175.76 175.28 1ily s PHE 86 N 1.40 3.16 -0.33 0.00 5.36 -1.26 -0.12 117.98 126.19 1ily s PHE 86 Ca 0.04 1.11 0.17 0.00 -0.96 0.00 0.00 56.93 57.28 1ily s PHE 86 Cb -0.24 -3.60 0.45 0.00 -0.34 0.00 0.00 43.02 39.30 1ily s PHE 86 CO 0.01 -0.73 1.10 -3.47 -1.46 0.00 0.00 175.22 170.68 1ily n ASP 87 N 6.73 0.56 -0.37 6.13 2.03 -1.13 -4.96 116.55 125.55 1ily n ASP 87 Ca 0.10 -2.50 0.33 0.00 0.52 0.00 0.00 54.79 53.24 1ily n ASP 87 Cb 0.47 -0.11 0.57 0.00 -0.72 0.00 0.00 41.12 41.33 1ily n ASP 87 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ily n ARG 88 N -0.37 -0.04 0.00 -0.67 1.85 -1.26 -4.88 116.66 111.29 1ily n ARG 88 Ca 0.04 1.15 0.00 0.00 -1.00 0.00 0.00 57.85 58.05 1ily n ARG 88 Cb 0.83 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.37 0.97 1.26 2.89 0.00 -1.26 -4.55 105.19 103.13 1ily n GLY 89 Ca 0.35 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 2.30 -3.41 1.61 -0.04 -1.26 -4.89 135.00 129.31 1ily n PRO 90 Ca 0.00 -1.36 -0.37 0.00 -0.04 0.00 0.00 63.50 61.73 1ily n PRO 90 Cb 0.00 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 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 -1.66 3.54 0.04 0.54 1.51 -1.26 -5.08 117.35 114.98 1ily s TYR 91 Ca 0.24 0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1ily s TYR 91 Cb 0.19 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1ily s TYR 91 CO 0.06 0.27 0.17 0.21 -1.11 0.00 0.00 175.55 175.15 1ily s LYS 92 N 0.27 3.31 -0.45 -0.62 2.36 -1.26 -4.98 119.74 118.38 1ily s LYS 92 Ca 0.23 -0.45 -0.38 0.00 -2.55 0.00 0.00 55.97 52.82 1ily s LYS 92 Cb -0.15 -2.99 -0.15 0.00 -1.05 0.00 0.00 37.83 33.50 1ily s LYS 92 CO 0.09 0.63 2.21 0.98 1.55 0.00 0.00 175.35 180.81 1ily n TYR 93 N 0.60 1.37 -4.43 4.03 9.36 -1.26 -4.91 117.16 121.93 1ily n TYR 93 Ca -0.08 0.45 -0.21 0.00 3.32 0.00 0.00 57.90 61.38 1ily n TYR 93 Cb 0.52 -2.44 -0.10 0.00 -0.63 0.00 0.00 39.34 36.68 1ily n TYR 93 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ily s HIS 94 N 7.10 1.93 0.33 2.98 2.46 -1.26 -5.03 115.29 123.81 1ily s HIS 94 Ca 1.15 -0.77 0.13 0.00 0.47 0.00 0.00 55.06 56.03 1ily s HIS 94 Cb -1.09 -1.15 1.03 0.00 -0.13 0.00 0.00 32.58 31.25 1ily s HIS 94 CO 0.54 0.20 1.67 0.78 -2.47 0.00 0.00 174.74 175.46 1ily h GLY 95 N 2.25 1.99 0.00 1.59 0.00 -2.00 -2.30 103.07 104.60 1ily h GLY 95 Ca -0.40 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1ily h GLY 95 CO 0.68 -0.45 0.00 0.54 0.00 0.00 0.00 176.54 177.31 1ily n ARG 96 N -5.05 0.00 -0.38 4.80 5.12 -1.26 -2.30 116.66 117.60 1ily n ARG 96 Ca 0.30 0.53 0.34 0.00 -1.93 0.00 0.00 57.85 57.10 1ily n ARG 96 Cb 0.93 -1.47 0.59 0.00 -1.16 0.00 0.00 32.46 31.35 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 -2.03 -0.30 0.00 1.55 0.31 -0.91 0.54 118.33 117.49 1ily n VAL 97 Ca 0.00 1.76 0.00 0.00 -0.01 0.00 0.00 64.34 66.09 1ily n VAL 97 Cb 0.00 -2.87 0.00 0.00 -0.91 0.00 0.00 33.84 30.06 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 -4.79 0.00 -0.21 5.55 5.02 -0.93 0.69 118.16 123.49 1ily n LYS 98 Ca 0.36 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.90 1ily n LYS 98 Cb 1.34 -1.15 0.37 0.00 -0.02 0.00 0.00 35.03 35.57 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ily h ALA 99 N -2.00 1.77 -0.04 7.82 0.00 -0.90 -1.42 119.26 124.48 1ily h ALA 99 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ily h ALA 99 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ily h ALA 99 CO 0.00 0.07 -0.03 1.25 0.00 0.00 0.00 179.25 180.55 1ily h LEU 100 N 0.72 0.09 -1.71 0.00 6.46 0.07 -2.38 115.31 118.56 1ily h LEU 100 Ca 0.36 -0.45 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1ily h LEU 100 Cb 0.44 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1ily h LEU 100 CO -0.13 0.52 0.08 0.00 -0.62 0.00 0.00 178.44 178.29 1ily h ALA 101 N 0.58 1.78 -0.18 1.25 0.00 0.77 -0.23 119.26 123.22 1ily h ALA 101 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ily h ALA 101 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ily h ALA 101 CO 0.01 0.19 -0.09 1.05 0.00 0.00 0.00 179.25 180.40 1ily h GLU 102 N 0.28 0.38 -0.26 0.00 4.11 -1.22 0.51 114.58 118.37 1ily h GLU 102 Ca 0.07 -0.17 0.05 0.00 0.07 0.00 0.00 59.36 59.39 1ily h GLU 102 Cb 0.05 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1ily h GLU 102 CO -0.01 0.69 -0.43 0.78 0.07 0.00 0.00 179.01 180.11 1ily h GLY 103 N 0.05 -0.67 1.69 1.06 0.00 -0.79 8.28 103.07 112.70 1ily h GLY 103 Ca 0.04 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 1ily h GLY 103 CO 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.44 1ily h ALA 104 N 0.23 1.61 0.00 3.60 0.00 0.77 1.11 119.26 126.57 1ily h ALA 104 Ca 0.10 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1ily h ALA 104 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ily h ALA 104 CO -0.48 0.30 -1.36 -2.13 0.00 0.00 0.00 179.25 175.58 1ily n ARG 105 N -4.38 0.62 0.08 0.00 3.00 0.18 0.24 116.66 116.39 1ily n ARG 105 Ca 0.01 0.21 -0.13 0.00 -0.00 0.00 0.00 57.85 57.95 1ily n ARG 105 Cb 0.16 -1.81 -0.13 0.00 0.00 0.00 0.00 32.46 30.67 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 0.17 -0.07 -0.14 4.11 1.82 -3.34 114.58 117.12 1ily h GLU 106 Ca -0.14 -0.28 -0.07 0.00 0.07 0.00 0.00 59.36 58.94 1ily h GLU 106 Cb 1.51 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1ily h GLU 106 CO 0.04 1.10 -0.21 0.78 0.07 0.00 0.00 179.01 180.79 1ily h GLY 107 N 2.16 0.30 0.00 1.06 0.00 0.11 -3.48 103.07 103.23 1ily h GLY 107 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1ily h GLY 107 CO 0.17 0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1ily n GLY 108 N 0.57 0.10 3.77 4.60 0.00 -1.14 -4.76 105.19 108.34 1ily n GLY 108 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 4.30 -0.39 0.99 1.02 0.14 -4.64 118.68 120.10 1ily s LEU 109 Ca 0.00 2.35 0.02 0.00 0.02 0.00 0.00 54.13 56.51 1ily s LEU 109 Cb 0.00 -3.90 0.12 0.00 0.02 0.00 0.00 46.19 42.43 1ily s LEU 109 CO 0.00 -0.52 0.16 -1.61 0.02 0.00 0.00 176.35 174.41 1ily s GLU 110 N -2.05 1.20 0.00 1.70 8.01 0.53 -3.43 118.70 124.67 1ily s GLU 110 Ca 0.53 -1.75 0.02 0.00 0.01 0.00 0.00 54.97 53.78 1ily s GLU 110 Cb -0.31 -2.47 0.01 0.00 -4.31 0.00 0.00 34.13 27.05 1ily s GLU 110 CO 0.40 -1.06 0.55 1.97 0.01 0.00 0.00 175.26 177.13