#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 2.38 -0.21 6.15 1.02 -1.26 0.99 118.68 127.74 1ily s LEU 23 Ca 0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 54.13 53.63 1ily s LEU 23 Cb 0.00 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 1ily s LEU 23 CO 0.00 0.20 0.10 -0.60 0.02 0.00 0.00 176.35 176.07 1ily s ARG 24 N 0.15 3.96 0.17 1.70 3.52 0.17 0.38 118.95 129.00 1ily s ARG 24 Ca -0.10 -0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 55.01 1ily s ARG 24 Cb -0.16 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.81 1ily s ARG 24 CO 0.06 0.12 0.58 -1.17 -0.81 0.00 0.00 175.30 174.08 1ily s LEU 25 N 0.83 4.31 -0.23 -0.88 0.20 0.13 -0.91 118.68 122.13 1ily s LEU 25 Ca 0.05 1.12 -0.03 0.00 0.69 0.00 0.00 54.13 55.96 1ily s LEU 25 Cb -0.13 -3.39 0.11 0.00 -0.43 0.00 0.00 46.19 42.35 1ily s LEU 25 CO 0.02 0.06 0.28 -0.44 -0.29 0.00 0.00 176.35 175.99 1ily s SER 26 N -1.80 1.04 -0.18 3.68 0.01 0.15 -2.75 113.70 113.85 1ily s SER 26 Ca 0.40 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.44 1ily s SER 26 Cb -0.15 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 1ily s SER 26 CO 0.20 -0.32 0.12 0.54 0.41 0.00 0.00 173.24 174.18 1ily s VAL 27 N 2.40 5.33 0.01 3.43 0.11 -1.26 0.60 120.40 131.03 1ily s VAL 27 Ca 0.09 0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.35 1ily s VAL 27 Cb -0.15 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 1ily s VAL 27 CO -0.16 0.48 -0.12 0.12 -3.33 0.00 0.00 175.10 172.10 1ily s PHE 28 N 0.06 2.74 -0.20 1.54 5.36 0.20 -4.86 117.98 122.82 1ily s PHE 28 Ca 0.09 -0.14 -0.06 0.00 -0.96 0.00 0.00 56.93 55.86 1ily s PHE 28 Cb -0.11 -1.56 0.09 0.00 -0.34 0.00 0.00 43.02 41.10 1ily s PHE 28 CO -0.00 0.30 0.40 -0.98 -1.46 0.00 0.00 175.22 173.47 1ily s ARG 29 N -1.33 0.31 -0.07 10.12 1.70 -1.26 0.54 118.95 128.96 1ily s ARG 29 Ca 0.15 0.95 0.03 0.00 -0.47 0.00 0.00 55.73 56.39 1ily s ARG 29 Cb -0.11 0.20 -0.25 0.00 -0.57 0.00 0.00 34.95 34.22 1ily s ARG 29 CO 0.06 -0.30 0.56 1.03 -1.08 0.00 0.00 175.30 175.56 1ily h SER 30 N 8.19 0.21 0.00 -2.89 0.87 -1.98 -3.49 113.55 114.46 1ily h SER 30 Ca -0.16 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1ily h SER 30 Cb 1.11 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1ily h SER 30 CO 0.14 1.41 0.00 -0.11 -0.53 0.00 0.00 176.83 177.74 1ily n LEU 31 N -3.27 -0.11 -0.51 2.23 0.00 -1.26 -4.95 117.00 109.14 1ily n LEU 31 Ca -0.23 0.11 0.06 0.00 0.00 0.00 0.00 56.01 55.94 1ily n LEU 31 Cb 1.05 0.24 0.15 0.00 0.00 0.00 0.00 43.42 44.86 1ily n LEU 31 CO 0.45 -0.04 0.62 0.29 0.00 0.00 0.00 177.39 178.70 1ily n LYS 32 N -1.90 2.70 -4.24 1.96 5.02 -1.26 -5.00 118.16 115.43 1ily n LYS 32 Ca 0.00 -2.24 -0.22 0.00 -2.02 0.00 0.00 58.31 53.84 1ily n LYS 32 Cb 0.00 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.77 1.56 0.01 2.13 3.76 -1.26 -4.92 115.29 114.80 1ily s HIS 33 Ca 0.25 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1ily s HIS 33 Cb 0.18 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 1ily s HIS 33 CO 0.09 0.15 -0.02 0.96 -0.85 0.00 0.00 174.74 175.07 1ily s ILE 34 N -1.24 0.11 -0.20 0.60 -4.36 -1.25 -3.17 121.20 111.69 1ily s ILE 34 Ca 0.03 -0.26 -0.04 0.00 -0.26 0.00 0.00 60.65 60.12 1ily s ILE 34 Cb -0.10 -0.14 0.08 0.00 1.25 0.00 0.00 42.46 43.55 1ily s ILE 34 CO 0.03 -0.09 0.15 -0.31 0.24 0.00 0.00 174.94 174.96 1ily s TYR 35 N -0.36 0.02 -0.25 1.37 1.51 0.19 -0.90 117.35 118.93 1ily s TYR 35 Ca -0.03 -0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 55.67 1ily s TYR 35 Cb -0.03 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1ily s TYR 35 CO -0.00 -0.60 0.45 0.00 -1.11 0.00 0.00 175.55 174.29 1ily s ALA 36 N 2.21 3.57 -0.22 3.71 0.00 0.14 0.60 121.76 131.77 1ily s ALA 36 Ca 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1ily s ALA 36 Cb -0.16 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1ily s ALA 36 CO -0.14 -0.63 -0.08 -1.14 0.00 0.00 0.00 175.76 173.76 1ily s GLN 37 N 2.04 3.13 -0.47 0.00 0.74 0.20 -1.40 119.66 123.90 1ily s GLN 37 Ca 0.19 -0.77 -0.14 0.00 0.05 0.00 0.00 55.36 54.69 1ily s GLN 37 Cb -0.16 -2.90 0.09 0.00 1.10 0.00 0.00 33.01 31.14 1ily s GLN 37 CO 0.09 -0.26 0.38 0.42 -0.55 0.00 0.00 175.29 175.37 1ily s ILE 38 N 1.39 4.93 0.30 -2.34 -1.09 0.14 0.30 121.20 124.83 1ily s ILE 38 Ca 0.04 -1.27 0.08 0.00 -2.23 0.00 0.00 60.65 57.27 1ily s ILE 38 Cb -0.15 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1ily s ILE 38 CO -0.06 -0.63 0.18 -0.63 -1.23 0.00 0.00 174.94 172.57 1ily s ILE 39 N 1.57 3.75 -0.37 2.92 1.09 -0.09 -1.94 121.20 128.12 1ily s ILE 39 Ca 0.04 -1.53 -0.19 0.00 -1.10 0.00 0.00 60.65 57.87 1ily s ILE 39 Cb -0.25 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 1ily s ILE 39 CO 0.04 -0.27 0.56 -0.62 -0.10 0.00 0.00 174.94 174.56 1ily s ASP 40 N -3.86 6.33 -0.22 3.58 2.15 0.29 0.45 116.67 125.39 1ily s ASP 40 Ca 0.36 -0.09 0.06 0.00 0.43 0.00 0.00 52.55 53.31 1ily s ASP 40 Cb -0.06 -2.29 0.49 0.00 -0.30 0.00 0.00 42.92 40.76 1ily s ASP 40 CO 0.24 -0.57 1.45 -0.67 -0.17 0.00 0.00 175.17 175.45 1ily n ASP 41 N 5.90 3.81 -0.06 -0.34 2.03 0.28 -2.51 116.55 125.66 1ily n ASP 41 Ca -0.03 -2.82 -0.13 0.00 0.52 0.00 0.00 54.79 52.33 1ily n ASP 41 Cb 0.48 -0.67 -0.05 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 -0.06 0.28 -3.84 -0.67 2.13 -0.91 -4.77 120.64 112.80 1ily n GLU 42 Ca 0.28 0.11 -0.26 0.00 0.66 0.00 0.00 57.16 57.95 1ily n GLU 42 Cb 1.06 -1.02 -0.17 0.00 0.27 0.00 0.00 31.44 31.59 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 -2.24 1.08 -0.95 5.31 1.02 -1.25 -5.04 119.74 117.68 1ily s LYS 43 Ca -0.18 -0.18 -0.14 0.00 0.02 0.00 0.00 55.97 55.49 1ily s LYS 43 Cb 0.06 -1.49 -0.29 0.00 -0.52 0.00 0.00 37.83 35.59 1ily s LYS 43 CO 0.24 -0.35 2.23 0.41 -0.92 0.00 0.00 175.35 176.96 1ily n GLY 44 N 5.02 -0.41 2.66 -3.33 0.00 -1.22 -4.46 105.19 103.44 1ily n GLY 44 Ca -0.10 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 3.79 -0.14 -0.28 1.61 1.01 -1.04 -4.96 120.40 120.39 1ily s VAL 45 Ca 1.23 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 1ily s VAL 45 Cb -0.69 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1ily s VAL 45 CO 0.45 -0.17 1.12 -0.89 0.00 0.00 0.00 175.10 175.62 1ily s THR 46 N 2.18 4.47 -0.19 3.92 2.01 -1.26 0.11 115.64 126.88 1ily s THR 46 Ca 0.03 1.72 -0.15 0.00 0.31 0.00 0.00 61.69 63.60 1ily s THR 46 Cb -0.15 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 67.98 1ily s THR 46 CO -0.08 -0.37 -0.22 0.18 -0.69 0.00 0.00 174.62 173.43 1ily n LEU 47 N 6.82 1.89 -4.17 4.42 4.32 -0.82 -4.95 117.00 124.51 1ily n LEU 47 Ca 0.13 0.44 -0.22 0.00 -0.02 0.00 0.00 56.01 56.34 1ily n LEU 47 Cb 0.46 -0.83 -0.14 0.00 -1.62 0.00 0.00 43.42 41.30 1ily n LEU 47 CO 0.58 -0.11 -0.48 -0.69 -1.22 0.00 0.00 177.39 175.47 1ily s VAL 48 N -2.56 1.26 -0.21 4.08 1.01 -0.96 -5.02 120.40 117.99 1ily s VAL 48 Ca -0.26 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 1ily s VAL 48 Cb 0.06 -1.12 0.11 0.00 0.00 0.00 0.00 36.38 35.42 1ily s VAL 48 CO 0.40 0.08 0.35 -0.94 0.00 0.00 0.00 175.10 174.99 1ily s SER 49 N -1.09 0.23 0.08 3.32 1.04 -1.26 0.27 113.70 116.28 1ily s SER 49 Ca 0.03 0.46 0.07 0.00 0.48 0.00 0.00 55.95 57.00 1ily s SER 49 Cb -0.08 1.04 -0.03 0.00 0.10 0.00 0.00 66.02 67.05 1ily s SER 49 CO 0.01 -0.27 -0.18 0.00 0.98 0.00 0.00 173.24 173.78 1ily s ALA 50 N 2.52 1.56 -0.14 5.32 0.00 -0.50 -4.98 121.76 125.54 1ily s ALA 50 Ca 0.06 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1ily s ALA 50 Cb -0.14 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1ily s ALA 50 CO -0.13 0.30 0.37 -1.54 0.00 0.00 0.00 175.76 174.75 1ily s SER 51 N -1.67 -0.41 0.52 0.00 1.04 -1.26 0.23 113.70 112.16 1ily s SER 51 Ca 0.04 0.76 0.39 0.00 0.48 0.00 0.00 55.95 57.62 1ily s SER 51 Cb -0.10 0.72 1.57 0.00 0.10 0.00 0.00 66.02 68.32 1ily s SER 51 CO 0.03 -0.15 1.70 0.28 0.98 0.00 0.00 173.24 176.08 1ily h SER 52 N 6.17 0.07 0.57 7.02 0.02 -1.40 -0.23 113.55 125.77 1ily h SER 52 Ca -0.31 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1ily h SER 52 Cb 1.18 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1ily h SER 52 CO 0.29 -0.02 -0.41 0.25 -1.14 0.00 0.00 176.83 175.81 1ily h LEU 53 N 0.04 -1.06 -2.21 5.07 7.12 -1.92 0.32 115.31 122.67 1ily h LEU 53 Ca 0.73 0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.84 1ily h LEU 53 Cb 2.78 0.32 -0.00 0.00 -0.53 0.00 0.00 40.66 43.23 1ily h LEU 53 CO -0.08 -0.59 0.11 0.00 -0.13 0.00 0.00 178.44 177.74 1ily h ALA 54 N -1.23 1.86 -0.39 1.25 0.00 -1.43 0.45 119.26 119.77 1ily h ALA 54 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ily h ALA 54 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ily h ALA 54 CO 0.04 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1ily n LEU 55 N -4.09 2.36 -0.34 0.00 4.32 -0.69 -4.94 117.00 113.62 1ily n LEU 55 Ca -0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.81 1ily n LEU 55 Cb 0.22 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1ily n LEU 55 CO 0.30 0.52 0.00 0.29 -1.22 0.00 0.00 177.39 177.28 1ily n LYS 56 N 0.62 -0.07 -1.05 3.23 5.02 0.16 -4.73 118.16 121.33 1ily n LYS 56 Ca 0.14 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 1ily n LYS 56 Cb 0.40 0.07 0.12 0.00 -0.02 0.00 0.00 35.03 35.60 1ily n LYS 56 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1ily n LEU 57 N -0.08 3.16 -4.00 -0.35 -0.00 -1.23 -4.98 117.00 109.52 1ily n LEU 57 Ca 0.00 0.54 -0.32 0.00 -0.00 0.00 0.00 56.01 56.23 1ily n LEU 57 Cb 0.00 -1.42 -0.12 0.00 -0.00 0.00 0.00 43.42 41.88 1ily n LEU 57 CO 0.00 -2.21 -0.07 -0.75 -0.00 0.00 0.00 177.39 174.36 1ily s LYS 58 N -3.89 2.28 0.00 1.47 2.20 -1.26 -4.91 119.74 115.62 1ily s LYS 58 Ca 0.69 -2.71 0.00 0.00 -0.36 0.00 0.00 55.97 53.59 1ily s LYS 58 Cb -0.28 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1ily s LYS 58 CO 0.55 -1.16 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1ily n GLY 59 N 3.05 -1.39 0.00 5.54 0.00 -1.26 -5.15 105.19 105.98 1ily n GLY 59 Ca 0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 1.75 -0.02 1.61 4.13 -1.26 -5.10 115.26 116.36 1ily n ASN 60 Ca 0.00 -0.98 -0.02 0.00 1.68 0.00 0.00 54.58 55.26 1ily n ASN 60 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ily n LYS 61 N -0.12 0.14 0.23 3.52 5.02 -1.26 -4.50 118.16 121.19 1ily n LYS 61 Ca 0.00 0.15 0.16 0.00 -2.02 0.00 0.00 58.31 56.59 1ily n LYS 61 Cb 0.00 -0.84 0.71 0.00 -0.02 0.00 0.00 35.03 34.88 1ily n LYS 61 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ily h THR 62 N -0.28 0.00 -0.27 -0.18 1.35 -1.96 -2.57 112.91 109.00 1ily h THR 62 Ca 0.00 -0.26 0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1ily h THR 62 Cb 0.24 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 1ily h THR 62 CO 0.00 0.00 -0.04 -0.08 -0.25 0.00 0.00 175.52 175.15 1ily h GLU 63 N 0.00 0.03 0.00 4.72 4.22 -1.95 -2.92 114.58 118.67 1ily h GLU 63 Ca 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ily h GLU 63 Cb 0.30 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ily h GLU 63 CO 0.00 0.02 -1.41 0.28 -2.18 0.00 0.00 179.01 175.72 1ily n VAL 64 N -5.21 0.38 -0.24 0.32 0.31 -1.17 -4.38 118.33 108.35 1ily n VAL 64 Ca -0.01 -0.53 0.23 0.00 -0.01 0.00 0.00 64.34 64.02 1ily n VAL 64 Cb 0.15 -0.21 0.43 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.22 0.76 0.30 3.52 0.00 -0.98 0.14 120.51 122.05 1ily n ALA 65 Ca -0.02 0.71 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 1ily n ALA 65 Cb 0.56 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.79 -0.49 0.00 2.43 -1.63 -1.35 114.38 112.55 1ily h ARG 66 Ca 0.61 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.97 1ily h ARG 66 Cb 1.65 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.36 1ily h ARG 66 CO -0.52 -0.53 0.64 1.96 -1.51 0.00 0.00 179.97 180.01 1ily h GLN 67 N -1.20 0.00 0.04 0.20 4.20 0.10 1.46 115.11 119.92 1ily h GLN 67 Ca -0.08 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.63 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.42 1ily h GLN 67 CO 0.14 0.00 -1.04 -0.24 -0.67 0.00 0.00 178.83 177.01 1ily h VAL 68 N 0.00 1.41 0.04 -0.54 3.04 0.49 -2.01 116.25 118.68 1ily h VAL 68 Ca 0.23 -2.58 -0.24 0.00 -1.01 0.00 0.00 66.70 63.10 1ily h VAL 68 Cb 1.51 2.56 0.00 0.00 -2.01 0.00 0.00 31.29 33.35 1ily h VAL 68 CO -0.00 0.77 -1.04 1.23 -1.01 0.00 0.00 177.57 177.52 1ily h GLY 69 N 1.19 0.43 1.43 3.17 0.00 0.29 -2.51 103.07 107.07 1ily h GLY 69 Ca -0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 47.33 46.31 1ily h GLY 69 CO 0.18 0.74 -0.02 0.07 0.00 0.00 0.00 176.54 177.51 1ily h ARG 70 N 0.19 0.69 0.43 4.80 -0.00 0.44 0.98 114.38 121.92 1ily h ARG 70 Ca -0.10 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.98 59.68 1ily h ARG 70 Cb 1.70 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 31.59 1ily h ARG 70 CO 0.18 0.72 -0.21 0.00 -0.00 0.00 0.00 179.97 180.66 1ily h ALA 71 N 1.33 -0.58 -0.45 0.08 0.00 -1.32 0.34 119.26 118.66 1ily h ALA 71 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ily h ALA 71 Cb 0.43 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ily h ALA 71 CO 0.02 -0.74 0.21 1.37 0.00 0.00 0.00 179.25 180.10 1ily h LEU 72 N -0.75 0.61 -2.12 0.00 8.10 -1.26 -0.20 115.31 119.69 1ily h LEU 72 Ca -0.06 -0.14 0.07 0.00 0.11 0.00 0.00 57.88 57.86 1ily h LEU 72 Cb 0.53 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.58 1ily h LEU 72 CO 0.10 0.58 0.21 0.00 -4.11 0.00 0.00 178.44 175.22 1ily h ALA 73 N 1.05 2.05 -0.08 0.17 0.00 0.11 0.88 119.26 123.43 1ily h ALA 73 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1ily h ALA 73 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ily h ALA 73 CO -0.02 -0.34 -0.68 1.49 0.00 0.00 0.00 179.25 179.70 1ily h GLU 74 N 0.00 0.36 0.12 0.00 4.81 0.14 -1.61 114.58 118.40 1ily h GLU 74 Ca 0.12 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1ily h GLU 74 Cb 0.54 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1ily h GLU 74 CO -0.00 0.91 -0.06 0.87 -0.73 0.00 0.00 179.01 180.00 1ily h LYS 75 N 0.25 -0.15 -0.96 1.92 1.57 0.13 -2.89 116.57 116.43 1ily h LYS 75 Ca -0.02 0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.07 1ily h LYS 75 Cb 1.24 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.43 1ily h LYS 75 CO 0.11 -0.10 0.41 0.00 -0.57 0.00 0.00 179.45 179.30 1ily h ALA 76 N -1.36 1.68 -0.97 3.86 0.00 0.31 1.45 119.26 124.22 1ily h ALA 76 Ca -0.02 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1ily h ALA 76 Cb 0.12 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1ily h ALA 76 CO 0.03 -0.57 0.63 -0.07 0.00 0.00 0.00 179.25 179.27 1ily h LEU 77 N 0.23 1.03 -1.98 0.00 3.38 -1.38 -0.51 115.31 116.09 1ily h LEU 77 Ca 0.67 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.71 1ily h LEU 77 Cb 1.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1ily h LEU 77 CO -0.66 0.68 0.40 0.00 0.09 0.00 0.00 178.44 178.95 1ily h ALA 78 N 1.42 1.82 0.00 1.53 0.00 0.22 1.08 119.26 125.34 1ily h ALA 78 Ca 0.40 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1ily h ALA 78 Cb 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ily h ALA 78 CO -0.15 -0.53 -1.54 -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 -1.04 -3.48 115.31 114.17 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 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ily h LEU 79 CO -0.00 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1ily n GLY 80 N 1.48 1.37 3.57 0.83 0.00 0.37 -5.05 105.19 107.77 1ily n GLY 80 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 3.43 -0.18 -0.61 1.09 -0.90 -4.81 121.20 117.22 1ily s ILE 81 Ca 0.00 0.36 -0.14 0.00 -1.10 0.00 0.00 60.65 59.77 1ily s ILE 81 Cb 0.00 -3.83 -0.09 0.00 -1.06 0.00 0.00 42.46 37.49 1ily s ILE 81 CO 0.00 -0.69 -0.12 1.17 -0.10 0.00 0.00 174.94 175.20 1ily n LYS 82 N 8.81 0.51 -4.37 2.79 4.81 -1.26 -4.22 118.16 125.22 1ily n LYS 82 Ca 0.21 0.47 -0.32 0.00 -0.87 0.00 0.00 58.31 57.80 1ily n LYS 82 Cb 0.50 -1.65 -0.10 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 2.60 0.20 1.64 1.11 -1.26 0.27 119.66 121.82 1ily s GLN 83 Ca -0.23 -0.71 0.03 0.00 0.01 0.00 0.00 55.36 54.46 1ily s GLN 83 Cb 0.05 -2.54 -0.05 0.00 -1.01 0.00 0.00 33.01 29.45 1ily s GLN 83 CO 0.38 0.60 -0.02 0.08 0.01 0.00 0.00 175.29 176.34 1ily s VAL 84 N -1.05 0.97 -0.43 1.09 1.01 -0.11 -4.38 120.40 117.50 1ily s VAL 84 Ca 0.19 -2.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.04 1ily s VAL 84 Cb -0.11 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.15 1ily s VAL 84 CO 0.09 -0.43 0.28 0.00 0.00 0.00 0.00 175.10 175.04 1ily s ALA 85 N -3.46 3.33 -0.56 5.51 0.00 0.16 -4.17 121.76 122.57 1ily s ALA 85 Ca 0.25 -2.20 -0.27 0.00 0.00 0.00 0.00 51.96 49.75 1ily s ALA 85 Cb 0.05 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.49 1ily s ALA 85 CO 0.06 -1.69 1.11 0.12 0.00 0.00 0.00 175.76 175.36 1ily s PHE 86 N 1.44 2.68 -0.33 0.00 5.36 -1.26 0.22 117.98 126.09 1ily s PHE 86 Ca 0.03 0.30 0.13 0.00 -0.96 0.00 0.00 56.93 56.44 1ily s PHE 86 Cb -0.24 -4.37 0.46 0.00 -0.34 0.00 0.00 43.02 38.54 1ily s PHE 86 CO 0.02 -1.49 1.09 -3.47 -1.46 0.00 0.00 175.22 169.91 1ily n ASP 87 N 8.09 3.16 -0.57 6.13 2.03 -1.11 -4.90 116.55 129.39 1ily n ASP 87 Ca 0.07 -3.05 0.45 0.00 0.52 0.00 0.00 54.79 52.78 1ily n ASP 87 Cb 0.49 -0.45 0.75 0.00 -0.72 0.00 0.00 41.12 41.18 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 2.59 0.02 0.00 -0.67 0.11 -1.89 -3.47 114.38 111.08 1ily h ARG 88 Ca 0.11 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1ily h ARG 88 Cb 1.23 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1ily h ARG 88 CO 0.57 0.02 0.00 0.41 0.10 0.00 0.00 179.97 181.07 1ily n GLY 89 N -1.74 0.61 1.76 0.08 0.00 -1.26 -4.58 105.19 100.05 1ily n GLY 89 Ca 0.40 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 1.69 -3.66 1.61 -0.04 -1.26 -4.92 135.00 128.41 1ily n PRO 90 Ca 0.00 -1.43 -0.31 0.00 -0.04 0.00 0.00 63.50 61.72 1ily n PRO 90 Cb 0.00 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.63 3.47 0.07 0.54 1.51 -1.26 -5.11 117.35 114.94 1ily s TYR 91 Ca 0.28 0.53 0.08 0.00 -1.01 0.00 0.00 57.07 56.95 1ily s TYR 91 Cb 0.22 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1ily s TYR 91 CO 0.02 0.41 -0.20 0.21 -1.11 0.00 0.00 175.55 174.88 1ily s LYS 92 N -2.81 1.90 -0.73 -0.62 2.47 -1.26 -5.04 119.74 113.65 1ily s LYS 92 Ca 0.41 -1.09 -0.29 0.00 -1.56 0.00 0.00 55.97 53.44 1ily s LYS 92 Cb -0.12 -2.12 -0.15 0.00 -1.46 0.00 0.00 37.83 33.98 1ily s LYS 92 CO 0.26 0.51 2.54 0.98 0.16 0.00 0.00 175.35 179.80 1ily n TYR 93 N 1.28 1.01 -4.60 4.03 9.36 -1.26 -4.89 117.16 122.10 1ily n TYR 93 Ca -0.16 0.27 -0.27 0.00 3.32 0.00 0.00 57.90 61.05 1ily n TYR 93 Cb 0.52 -2.50 -0.11 0.00 -0.63 0.00 0.00 39.34 36.62 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 10.26 2.48 0.39 2.98 2.46 -1.26 -5.01 115.29 127.59 1ily s HIS 94 Ca 1.18 -0.62 0.22 0.00 0.47 0.00 0.00 55.06 56.30 1ily s HIS 94 Cb -0.77 -1.65 1.25 0.00 -0.13 0.00 0.00 32.58 31.28 1ily s HIS 94 CO 0.39 0.49 1.65 0.78 -2.47 0.00 0.00 174.74 175.58 1ily h GLY 95 N 1.85 1.74 0.00 1.59 0.00 -2.00 -1.95 103.07 104.29 1ily h GLY 95 Ca -0.43 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1ily h GLY 95 CO 0.78 -0.47 0.00 0.54 0.00 0.00 0.00 176.54 177.38 1ily n ARG 96 N -4.91 0.00 -0.30 4.80 5.12 -1.26 -2.35 116.66 117.76 1ily n ARG 96 Ca 0.34 0.45 0.28 0.00 -1.93 0.00 0.00 57.85 56.99 1ily n ARG 96 Cb 1.19 -1.41 0.51 0.00 -1.16 0.00 0.00 32.46 31.59 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 -1.86 -0.39 0.00 1.55 0.31 -0.82 0.13 118.33 117.26 1ily n VAL 97 Ca 0.00 1.92 0.00 0.00 -0.01 0.00 0.00 64.34 66.25 1ily n VAL 97 Cb 0.00 -3.07 0.00 0.00 -0.91 0.00 0.00 33.84 29.86 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 -5.15 0.00 -0.22 5.55 5.02 -0.80 0.62 118.16 123.18 1ily n LYS 98 Ca 0.33 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 1ily n LYS 98 Cb 1.13 -1.13 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 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 -1.99 1.58 -0.10 7.82 0.00 -0.99 -2.12 119.26 123.46 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 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ily h ALA 99 CO 0.00 0.33 -0.02 1.25 0.00 0.00 0.00 179.25 180.80 1ily h LEU 100 N 0.91 0.19 -1.66 0.00 6.46 0.11 -2.29 115.31 119.02 1ily h LEU 100 Ca 0.32 -0.37 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1ily h LEU 100 Cb 0.12 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1ily h LEU 100 CO -0.10 0.52 0.26 0.00 -0.62 0.00 0.00 178.44 178.50 1ily h ALA 101 N 0.68 1.82 -0.34 1.25 0.00 0.53 0.30 119.26 123.49 1ily h ALA 101 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ily h ALA 101 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ily h ALA 101 CO 0.01 0.14 -0.06 0.93 0.00 0.00 0.00 179.25 180.27 1ily h GLU 102 N 0.45 0.65 0.01 0.00 5.08 -1.26 0.45 114.58 119.95 1ily h GLU 102 Ca 0.16 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1ily h GLU 102 Cb 0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1ily h GLU 102 CO -0.04 0.81 -0.43 0.78 -1.00 0.00 0.00 179.01 179.13 1ily h GLY 103 N 0.44 -1.18 0.56 -3.84 0.00 -0.45 8.89 103.07 107.49 1ily h GLY 103 Ca 0.09 0.65 0.12 0.00 0.00 0.00 0.00 47.33 48.19 1ily h GLY 103 CO 0.03 -0.29 0.61 0.00 0.00 0.00 0.00 176.54 176.88 1ily h ALA 104 N -0.66 1.61 0.01 3.60 0.00 -0.31 0.86 119.26 124.37 1ily h ALA 104 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ily h ALA 104 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ily h ALA 104 CO -0.28 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.13 1ily h ARG 105 N 0.92 -0.01 -0.94 0.00 2.47 0.13 0.40 114.38 117.34 1ily h ARG 105 Ca 0.46 0.00 0.29 0.00 -1.26 0.00 0.00 59.98 59.47 1ily h ARG 105 Cb 0.50 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.67 1ily h ARG 105 CO -0.23 -0.01 0.32 1.05 0.56 0.00 0.00 179.97 181.67 1ily h GLU 106 N -0.99 0.16 0.05 0.04 4.11 1.93 0.48 114.58 120.36 1ily h GLU 106 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ily h GLU 106 Cb 0.01 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ily h GLU 106 CO 0.00 0.11 -0.02 0.78 0.07 0.00 0.00 179.01 179.95 1ily h GLY 107 N 0.17 -0.07 0.00 1.06 0.00 0.66 -3.47 103.07 101.42 1ily h GLY 107 Ca 0.65 0.02 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1ily h GLY 107 CO -0.71 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 176.42 1ily n GLY 108 N -0.84 0.05 3.78 4.60 0.00 0.17 -4.76 105.19 108.18 1ily n GLY 108 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1ily n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ily s LEU 109 N 0.00 3.94 -0.42 0.99 1.02 0.14 -4.62 118.68 119.74 1ily s LEU 109 Ca 0.00 2.17 0.02 0.00 0.02 0.00 0.00 54.13 56.34 1ily s LEU 109 Cb 0.00 -4.36 0.13 0.00 0.02 0.00 0.00 46.19 41.97 1ily s LEU 109 CO 0.00 -0.90 0.20 -1.61 0.02 0.00 0.00 176.35 174.07 1ily s GLU 110 N -2.89 1.29 0.00 1.70 8.01 0.77 -3.55 118.70 124.03 1ily s GLU 110 Ca 0.65 -1.92 0.00 0.00 0.01 0.00 0.00 54.97 53.72 1ily s GLU 110 Cb -0.24 -2.45 0.00 0.00 -4.31 0.00 0.00 34.13 27.12 1ily s GLU 110 CO 0.29 -1.11 0.36 1.97 0.01 0.00 0.00 175.26 176.78