#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 4.00 -0.23 2.89 1.43 -1.26 0.11 118.68 125.62 1ily s LEU 23 Ca 0.00 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1ily s LEU 23 Cb 0.00 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1ily s LEU 23 CO 0.00 0.23 0.13 -0.60 0.23 0.00 0.00 176.35 176.34 1ily s ARG 24 N 0.04 3.99 0.13 1.70 3.52 0.20 0.28 118.95 128.82 1ily s ARG 24 Ca 0.07 -0.31 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 1ily s ARG 24 Cb -0.12 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.75 1ily s ARG 24 CO 0.00 0.06 0.57 -1.17 -0.81 0.00 0.00 175.30 173.96 1ily s LEU 25 N 1.02 4.39 -0.22 -0.88 0.20 0.12 -0.79 118.68 122.52 1ily s LEU 25 Ca 0.06 1.16 -0.03 0.00 0.69 0.00 0.00 54.13 56.02 1ily s LEU 25 Cb -0.14 -3.19 0.11 0.00 -0.43 0.00 0.00 46.19 42.55 1ily s LEU 25 CO 0.04 0.15 0.27 -0.44 -0.29 0.00 0.00 176.35 176.08 1ily s SER 26 N -1.53 1.13 -0.27 3.68 0.01 0.11 -2.70 113.70 114.12 1ily s SER 26 Ca 0.36 -0.18 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 1ily s SER 26 Cb -0.16 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 1ily s SER 26 CO 0.19 -0.33 0.47 0.54 0.41 0.00 0.00 173.24 174.53 1ily s VAL 27 N 2.39 5.10 -0.10 3.43 0.11 -1.26 0.51 120.40 130.57 1ily s VAL 27 Ca 0.09 0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 59.86 1ily s VAL 27 Cb -0.15 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1ily s VAL 27 CO -0.16 0.09 0.08 0.12 -3.33 0.00 0.00 175.10 171.91 1ily s PHE 28 N 2.24 3.40 -0.18 1.54 5.36 0.21 -4.88 117.98 125.68 1ily s PHE 28 Ca 0.19 0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 56.48 1ily s PHE 28 Cb -0.16 -1.87 0.09 0.00 -0.34 0.00 0.00 43.02 40.74 1ily s PHE 28 CO 0.10 0.62 0.36 1.03 -1.46 0.00 0.00 175.22 175.86 1ily s ARG 29 N -1.00 0.26 -0.08 10.12 1.81 -1.26 -0.12 118.95 128.68 1ily s ARG 29 Ca 0.15 0.88 -0.05 0.00 -1.72 0.00 0.00 55.73 54.98 1ily s ARG 29 Cb -0.12 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.47 1ily s ARG 29 CO 0.04 -0.31 -0.10 0.77 -0.68 0.00 0.00 175.30 175.02 1ily h SER 30 N 8.22 0.00 0.00 0.23 0.02 -1.93 -3.49 113.55 116.59 1ily h SER 30 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ily h SER 30 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ily h SER 30 CO 0.14 0.44 0.00 -0.11 -1.14 0.00 0.00 176.83 176.16 1ily n LEU 31 N -3.65 -2.28 -0.02 5.07 0.00 -1.26 -4.93 117.00 109.93 1ily n LEU 31 Ca -0.04 0.64 0.00 0.00 0.00 0.00 0.00 56.01 56.61 1ily n LEU 31 Cb 0.15 2.24 0.00 0.00 0.00 0.00 0.00 43.42 45.81 1ily n LEU 31 CO 0.06 -0.18 0.31 1.17 0.00 0.00 0.00 177.39 178.76 1ily n LYS 32 N -3.32 -0.05 -3.84 1.96 4.81 -1.26 -4.99 118.16 111.47 1ily n LYS 32 Ca 0.00 -0.75 -0.36 0.00 -0.87 0.00 0.00 58.31 56.33 1ily n LYS 32 Cb 0.00 -1.01 -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 1.17 0.00 0.00 177.40 177.56 1ily s HIS 33 N -0.25 3.05 -0.16 5.64 3.76 -1.26 -4.88 115.29 121.20 1ily s HIS 33 Ca 0.00 -0.96 -0.05 0.00 -0.15 0.00 0.00 55.06 53.91 1ily s HIS 33 Cb 0.00 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 1ily s HIS 33 CO 0.00 -0.55 0.01 -1.50 -0.85 0.00 0.00 174.74 171.85 1ily s ILE 34 N 1.49 4.34 -0.21 0.60 1.10 -1.26 -2.58 121.20 124.66 1ily s ILE 34 Ca 0.04 -0.20 -0.04 0.00 -0.51 0.00 0.00 60.65 59.94 1ily s ILE 34 Cb -0.16 -2.92 0.11 0.00 0.15 0.00 0.00 42.46 39.65 1ily s ILE 34 CO -0.01 0.49 0.32 -0.31 -2.11 0.00 0.00 174.94 173.33 1ily s TYR 35 N 0.23 -0.61 -0.22 3.50 1.51 0.83 -3.58 117.35 119.01 1ily s TYR 35 Ca 0.01 0.72 -0.17 0.00 -1.01 0.00 0.00 57.07 56.62 1ily s TYR 35 Cb -0.13 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 1ily s TYR 35 CO 0.02 -0.62 0.44 0.00 -1.11 0.00 0.00 175.55 174.27 1ily s ALA 36 N 2.47 3.56 -0.30 3.71 0.00 -0.62 0.65 121.76 131.23 1ily s ALA 36 Ca 0.08 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1ily s ALA 36 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.27 1ily s ALA 36 CO -0.14 -0.44 0.07 -1.14 0.00 0.00 0.00 175.76 174.11 1ily s GLN 37 N 1.62 2.93 -0.65 0.00 2.00 0.18 -2.01 119.66 123.73 1ily s GLN 37 Ca 0.20 -0.96 -0.16 0.00 -2.00 0.00 0.00 55.36 52.44 1ily s GLN 37 Cb -0.15 -3.35 0.16 0.00 0.80 0.00 0.00 33.01 30.47 1ily s GLN 37 CO 0.09 -0.50 0.63 0.42 -0.50 0.00 0.00 175.29 175.43 1ily s ILE 38 N 1.45 5.28 0.36 -2.34 -1.09 0.14 0.04 121.20 125.04 1ily s ILE 38 Ca 0.01 -1.75 0.05 0.00 -2.23 0.00 0.00 60.65 56.73 1ily s ILE 38 Cb -0.18 -4.41 -0.01 0.00 -1.58 0.00 0.00 42.46 36.28 1ily s ILE 38 CO 0.02 -0.97 0.51 -0.63 -1.23 0.00 0.00 174.94 172.63 1ily s ILE 39 N 1.30 4.14 -0.38 2.92 1.09 0.03 -1.93 121.20 128.38 1ily s ILE 39 Ca 0.10 -0.88 -0.17 0.00 -1.10 0.00 0.00 60.65 58.60 1ily s ILE 39 Cb -0.22 -3.46 0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1ily s ILE 39 CO -0.01 -0.21 0.45 -0.62 -0.10 0.00 0.00 174.94 174.45 1ily s ASP 40 N -4.17 6.23 -0.12 3.58 -1.08 0.27 0.62 116.67 122.01 1ily s ASP 40 Ca 0.45 -0.32 0.05 0.00 -0.52 0.00 0.00 52.55 52.22 1ily s ASP 40 Cb -0.10 -2.24 0.33 0.00 -1.46 0.00 0.00 42.92 39.46 1ily s ASP 40 CO 0.33 -0.49 1.09 -0.67 0.52 0.00 0.00 175.17 175.95 1ily n ASP 41 N 5.62 3.06 -0.07 -0.34 2.03 0.31 -2.53 116.55 124.62 1ily n ASP 41 Ca -0.07 -2.44 -0.15 0.00 0.52 0.00 0.00 54.79 52.65 1ily n ASP 41 Cb 0.48 -0.59 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.18 0.31 -3.89 -0.67 2.13 -0.95 -4.26 120.64 113.49 1ily n GLU 42 Ca 0.14 0.13 -0.27 0.00 0.66 0.00 0.00 57.16 57.82 1ily n GLU 42 Cb 0.71 -1.05 -0.17 0.00 0.27 0.00 0.00 31.44 31.21 1ily n GLU 42 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ily s LYS 43 N -2.27 1.43 -0.81 5.31 -0.14 -1.23 -5.01 119.74 117.03 1ily s LYS 43 Ca -0.20 -0.33 -0.14 0.00 -1.36 0.00 0.00 55.97 53.94 1ily s LYS 43 Cb 0.08 -1.71 -0.23 0.00 -1.68 0.00 0.00 37.83 34.28 1ily s LYS 43 CO 0.26 -0.33 2.06 0.41 -0.76 0.00 0.00 175.35 176.99 1ily n GLY 44 N 4.93 -0.34 2.71 -3.33 0.00 -1.19 -4.34 105.19 103.63 1ily n GLY 44 Ca -0.12 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 5.21 0.31 -0.23 1.61 1.01 -1.05 -4.93 120.40 122.33 1ily s VAL 45 Ca 1.00 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 1ily s VAL 45 Cb -0.48 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1ily s VAL 45 CO 0.33 -0.11 1.26 -0.89 0.00 0.00 0.00 175.10 175.69 1ily s THR 46 N 1.97 4.25 -0.16 3.92 2.01 -1.26 0.95 115.64 127.31 1ily s THR 46 Ca 0.01 1.47 -0.17 0.00 0.31 0.00 0.00 61.69 63.31 1ily s THR 46 Cb -0.16 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 1ily s THR 46 CO -0.07 -0.29 -0.33 0.18 -0.69 0.00 0.00 174.62 173.42 1ily n LEU 47 N 7.04 1.89 -4.37 4.42 4.32 -0.81 -4.95 117.00 124.53 1ily n LEU 47 Ca 0.14 0.32 -0.30 0.00 -0.02 0.00 0.00 56.01 56.14 1ily n LEU 47 Cb 0.46 -0.71 -0.14 0.00 -1.62 0.00 0.00 43.42 41.40 1ily n LEU 47 CO 0.59 -0.30 -0.55 -0.69 -1.22 0.00 0.00 177.39 175.22 1ily s VAL 48 N -2.85 2.28 -0.20 4.08 1.01 -0.96 -5.01 120.40 118.75 1ily s VAL 48 Ca -0.27 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 1ily s VAL 48 Cb 0.04 -1.89 0.10 0.00 0.00 0.00 0.00 36.38 34.63 1ily s VAL 48 CO 0.40 0.40 0.35 -0.94 0.00 0.00 0.00 175.10 175.31 1ily s SER 49 N -1.16 0.25 0.26 3.32 1.04 -1.26 0.28 113.70 116.42 1ily s SER 49 Ca 0.12 0.46 0.11 0.00 0.48 0.00 0.00 55.95 57.13 1ily s SER 49 Cb -0.10 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 67.00 1ily s SER 49 CO 0.02 -0.27 -0.20 0.00 0.98 0.00 0.00 173.24 173.77 1ily s ALA 50 N 2.52 2.63 -0.09 5.32 0.00 -0.85 -4.97 121.76 126.32 1ily s ALA 50 Ca 0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.16 1ily s ALA 50 Cb -0.14 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1ily s ALA 50 CO -0.13 0.27 0.20 -1.54 0.00 0.00 0.00 175.76 174.56 1ily s SER 51 N -3.37 0.06 0.34 0.00 1.04 -1.26 -1.59 113.70 108.93 1ily s SER 51 Ca 0.28 0.42 0.05 0.00 0.48 0.00 0.00 55.95 57.17 1ily s SER 51 Cb -0.05 0.34 0.63 0.00 0.10 0.00 0.00 66.02 67.04 1ily s SER 51 CO 0.13 -0.18 1.88 0.28 0.98 0.00 0.00 173.24 176.33 1ily h SER 52 N 7.57 0.45 0.46 7.02 0.02 -1.93 -1.56 113.55 125.59 1ily h SER 52 Ca -0.33 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ily h SER 52 Cb 1.14 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1ily h SER 52 CO 0.32 0.53 0.00 0.00 -1.14 0.00 0.00 176.83 176.54 1ily n LEU 53 N -4.28 0.00 -0.08 5.07 -0.00 -1.26 -2.12 117.00 114.33 1ily n LEU 53 Ca 0.01 0.44 -0.13 0.00 -0.00 0.00 0.00 56.01 56.34 1ily n LEU 53 Cb 0.25 -0.44 -0.08 0.00 -0.00 0.00 0.00 43.42 43.14 1ily n LEU 53 CO 0.39 -0.21 -0.17 0.00 -0.00 0.00 0.00 177.39 177.39 1ily h ALA 54 N 2.58 0.10 -0.73 1.47 0.00 -1.51 -3.39 119.26 117.79 1ily h ALA 54 Ca 0.00 -0.70 0.13 0.00 0.00 0.00 0.00 54.91 54.33 1ily h ALA 54 Cb 0.23 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1ily h ALA 54 CO 0.00 0.38 0.30 -0.07 0.00 0.00 0.00 179.25 179.86 1ily h LEU 55 N -1.00 0.30 0.00 0.00 4.07 -1.56 -3.44 115.31 113.68 1ily h LEU 55 Ca -0.14 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ily h LEU 55 Cb 0.87 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1ily h LEU 55 CO -0.08 0.14 0.00 1.17 -1.08 0.00 0.00 178.44 178.59 1ily n LYS 56 N -4.98 0.00 -1.46 1.13 4.81 -1.23 -5.14 118.16 111.29 1ily n LYS 56 Ca 0.13 0.00 -0.55 0.00 -0.87 0.00 0.00 58.31 57.02 1ily n LYS 56 Cb 0.37 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.36 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 -0.47 0.00 3.14 0.00 -0.90 -4.87 117.00 113.90 1ily n LEU 57 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.16 1ily n LEU 57 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 43.42 42.48 1ily n LEU 57 CO 0.00 -2.32 -0.20 1.17 0.00 0.00 0.00 177.39 176.04 1ily n LYS 58 N 1.31 0.00 0.00 1.96 4.81 -1.26 -4.21 118.16 120.77 1ily n LYS 58 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1ily n LYS 58 Cb 0.15 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 34.77 1ily n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ily n GLY 59 N 2.19 -0.20 3.67 3.14 0.00 -1.26 -4.97 105.19 107.75 1ily n GLY 59 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.29 3.79 -0.08 1.61 2.85 -1.26 -4.89 115.26 115.99 1ily n ASN 60 Ca 0.00 0.95 -0.06 0.00 -0.11 0.00 0.00 54.58 55.36 1ily n ASN 60 Cb 0.00 -1.45 -0.02 0.00 1.24 0.00 0.00 39.78 39.55 1ily n ASN 60 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ily n LYS 61 N 6.91 0.47 0.23 1.20 4.01 -1.26 -4.33 118.16 125.39 1ily n LYS 61 Ca 0.21 0.41 0.18 0.00 -0.51 0.00 0.00 58.31 58.60 1ily n LYS 61 Cb 0.35 -1.58 0.85 0.00 -0.51 0.00 0.00 35.03 34.14 1ily n LYS 61 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1ily h THR 62 N -0.98 0.27 0.32 -0.18 1.35 -1.90 0.12 112.91 111.92 1ily h THR 62 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1ily h THR 62 Cb 0.67 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1ily h THR 62 CO 0.00 0.00 -0.18 -0.08 -0.25 0.00 0.00 175.52 175.01 1ily h GLU 63 N 0.00 -0.46 0.00 4.72 4.57 -1.96 -3.22 114.58 118.23 1ily h GLU 63 Ca 0.08 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1ily h GLU 63 Cb 0.61 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1ily h GLU 63 CO -0.00 -0.30 -0.07 0.28 -1.18 0.00 0.00 179.01 177.73 1ily h VAL 64 N -0.47 0.00 -0.92 0.32 2.07 -1.70 -3.36 116.25 112.20 1ily h VAL 64 Ca -0.04 -0.96 0.34 0.00 0.82 0.00 0.00 66.70 66.86 1ily h VAL 64 Cb 0.37 1.93 -0.12 0.00 -1.52 0.00 0.00 31.29 31.95 1ily h VAL 64 CO 0.05 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.19 1ily n ALA 65 N -2.08 0.92 0.23 1.67 0.00 0.40 0.14 120.51 121.78 1ily n ALA 65 Ca 0.04 0.72 -0.11 0.00 0.00 0.00 0.00 53.44 54.09 1ily n ALA 65 Cb 0.52 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.61 -0.27 0.00 2.43 -1.69 -1.11 114.38 113.13 1ily h ARG 66 Ca 0.66 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.95 1ily h ARG 66 Cb 1.96 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.63 1ily h ARG 66 CO -0.47 -0.35 0.57 1.96 -1.51 0.00 0.00 179.97 180.17 1ily h GLN 67 N -1.11 0.00 0.09 0.20 4.20 0.91 1.73 115.11 121.12 1ily h GLN 67 Ca -0.06 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.38 1ily h GLN 67 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1ily h GLN 67 CO 0.11 0.00 -1.25 -0.24 -0.67 0.00 0.00 178.83 176.77 1ily h VAL 68 N 0.00 1.46 0.02 -0.54 3.04 0.51 -2.23 116.25 118.52 1ily h VAL 68 Ca 0.13 -3.09 -0.21 0.00 -1.01 0.00 0.00 66.70 62.51 1ily h VAL 68 Cb 1.26 2.87 -0.01 0.00 -2.01 0.00 0.00 31.29 33.40 1ily h VAL 68 CO -0.00 0.88 -0.94 1.23 -1.01 0.00 0.00 177.57 177.73 1ily h GLY 69 N 2.04 0.27 1.03 3.17 0.00 0.37 -0.94 103.07 109.01 1ily h GLY 69 Ca -0.13 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.52 1ily h GLY 69 CO 0.17 0.45 -0.54 0.07 0.00 0.00 0.00 176.54 176.69 1ily h ARG 70 N 0.13 0.70 -0.60 4.80 -0.00 0.06 0.92 114.38 120.39 1ily h ARG 70 Ca -0.06 -0.50 -0.09 0.00 -0.00 0.00 0.00 59.98 59.33 1ily h ARG 70 Cb 1.59 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 31.62 1ily h ARG 70 CO 0.15 1.12 0.03 0.00 -0.00 0.00 0.00 179.97 181.27 1ily h ALA 71 N 0.58 0.80 0.36 0.08 0.00 -1.44 0.40 119.26 120.03 1ily h ALA 71 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ily h ALA 71 Cb 1.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ily h ALA 71 CO 0.12 0.62 -0.17 1.25 0.00 0.00 0.00 179.25 181.06 1ily h LEU 72 N 0.93 -0.41 -2.13 0.00 5.85 -1.08 -1.33 115.31 117.15 1ily h LEU 72 Ca 0.17 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1ily h LEU 72 Cb 0.52 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1ily h LEU 72 CO 0.03 -0.12 0.30 0.00 -0.34 0.00 0.00 178.44 178.30 1ily h ALA 73 N -0.15 1.88 -0.16 1.25 0.00 0.95 0.92 119.26 123.95 1ily h ALA 73 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1ily h ALA 73 Cb 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ily h ALA 73 CO 0.08 -0.43 -0.63 1.49 0.00 0.00 0.00 179.25 179.76 1ily h GLU 74 N 0.00 0.59 0.23 0.00 4.81 0.62 -0.92 114.58 119.91 1ily h GLU 74 Ca 0.12 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1ily h GLU 74 Cb 0.71 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1ily h GLU 74 CO -0.00 1.03 -0.11 0.87 -0.73 0.00 0.00 179.01 180.07 1ily h LYS 75 N 0.43 -0.30 -0.94 1.92 1.57 0.18 -2.10 116.57 117.34 1ily h LYS 75 Ca -0.01 0.02 0.28 0.00 -1.87 0.00 0.00 60.65 59.06 1ily h LYS 75 Cb 1.20 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.43 1ily h LYS 75 CO 0.12 -0.20 0.37 0.00 -0.57 0.00 0.00 179.45 179.17 1ily h ALA 76 N -1.53 1.57 -0.93 3.86 0.00 -0.80 1.21 119.26 122.64 1ily h ALA 76 Ca -0.03 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ily h ALA 76 Cb 0.24 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1ily h ALA 76 CO 0.05 -0.52 0.61 -0.07 0.00 0.00 0.00 179.25 179.32 1ily h LEU 77 N 0.25 1.03 -1.88 0.00 3.38 -1.20 -1.51 115.31 115.38 1ily h LEU 77 Ca 0.63 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.73 1ily h LEU 77 Cb 1.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1ily h LEU 77 CO -0.65 0.73 0.53 0.00 0.09 0.00 0.00 178.44 179.14 1ily h ALA 78 N 1.37 2.21 0.00 1.53 0.00 0.22 1.12 119.26 125.71 1ily h ALA 78 Ca 0.36 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.02 1ily h ALA 78 Cb -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ily h ALA 78 CO -0.10 -0.78 -1.51 -0.07 0.00 0.00 0.00 179.25 176.78 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.22 -3.48 115.31 113.99 1ily h LEU 79 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ily h LEU 79 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ily h LEU 79 CO -0.00 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1ily n GLY 80 N 1.47 1.39 3.57 0.83 0.00 0.38 -5.05 105.19 107.77 1ily n GLY 80 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 3.36 -0.23 -0.61 1.09 -0.84 -4.79 121.20 117.18 1ily s ILE 81 Ca 0.00 0.29 -0.19 0.00 -1.10 0.00 0.00 60.65 59.65 1ily s ILE 81 Cb 0.00 -3.70 -0.17 0.00 -1.06 0.00 0.00 42.46 37.53 1ily s ILE 81 CO 0.00 -0.59 0.05 1.17 -0.10 0.00 0.00 174.94 175.47 1ily n LYS 82 N 8.85 0.58 -5.09 2.79 4.81 -1.26 -4.24 118.16 124.60 1ily n LYS 82 Ca 0.23 0.48 -0.32 0.00 -0.87 0.00 0.00 58.31 57.84 1ily n LYS 82 Cb 0.50 -1.67 -0.15 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.41 2.62 0.27 1.64 1.11 -1.26 0.19 119.66 121.83 1ily s GLN 83 Ca -0.32 -0.82 0.08 0.00 0.01 0.00 0.00 55.36 54.32 1ily s GLN 83 Cb 0.08 -2.28 -0.06 0.00 -1.01 0.00 0.00 33.01 29.75 1ily s GLN 83 CO 0.57 0.44 -0.11 0.08 0.01 0.00 0.00 175.29 176.28 1ily s VAL 84 N -0.29 1.91 -0.46 1.09 1.01 0.15 -4.31 120.40 119.50 1ily s VAL 84 Ca 0.01 -2.21 -0.11 0.00 0.00 0.00 0.00 61.98 59.68 1ily s VAL 84 Cb -0.13 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 33.98 1ily s VAL 84 CO 0.03 -0.37 0.33 0.00 0.00 0.00 0.00 175.10 175.10 1ily s ALA 85 N -2.84 3.40 -0.21 5.51 0.00 0.14 -4.00 121.76 123.76 1ily s ALA 85 Ca 0.29 -2.33 -0.28 0.00 0.00 0.00 0.00 51.96 49.63 1ily s ALA 85 Cb 0.01 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1ily s ALA 85 CO 0.12 -1.80 0.97 0.12 0.00 0.00 0.00 175.76 175.18 1ily s PHE 86 N 1.45 3.37 -0.33 0.00 5.36 -1.26 0.12 117.98 126.69 1ily s PHE 86 Ca 0.04 1.40 0.16 0.00 -0.96 0.00 0.00 56.93 57.57 1ily s PHE 86 Cb -0.25 -3.19 0.45 0.00 -0.34 0.00 0.00 43.02 39.69 1ily s PHE 86 CO 0.02 -0.40 1.20 -3.47 -1.46 0.00 0.00 175.22 171.10 1ily n ASP 87 N 5.95 0.13 -0.65 6.13 2.03 -1.10 -4.96 116.55 124.08 1ily n ASP 87 Ca 0.09 -2.40 0.50 0.00 0.52 0.00 0.00 54.79 53.51 1ily n ASP 87 Cb 0.47 0.08 0.79 0.00 -0.72 0.00 0.00 41.12 41.74 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 2.31 0.00 0.00 -0.67 0.11 -1.90 -3.46 114.38 110.77 1ily h ARG 88 Ca -0.22 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1ily h ARG 88 Cb 1.25 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1ily h ARG 88 CO 0.16 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.64 1ily n GLY 89 N -1.83 1.08 2.67 0.08 0.00 -1.26 -4.58 105.19 101.35 1ily n GLY 89 Ca 0.43 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 1ily n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ily n PRO 90 N 5.11 1.75 -4.22 1.61 -0.02 -1.26 -4.80 135.00 133.16 1ily n PRO 90 Ca 0.00 -1.29 -0.15 0.00 -2.02 0.00 0.00 63.50 60.04 1ily n PRO 90 Cb 0.00 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.01 1ily n PRO 90 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ily s TYR 91 N 3.63 1.22 -0.00 6.00 1.51 -1.26 -5.15 117.35 123.30 1ily s TYR 91 Ca 0.33 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1ily s TYR 91 Cb 0.09 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 1ily s TYR 91 CO -0.03 0.07 -0.10 0.21 -1.11 0.00 0.00 175.55 174.59 1ily s LYS 92 N -3.24 0.82 -0.98 -0.62 2.47 -1.26 -5.04 119.74 111.88 1ily s LYS 92 Ca 0.12 -0.40 -0.16 0.00 -1.56 0.00 0.00 55.97 53.96 1ily s LYS 92 Cb -0.01 -0.79 -0.29 0.00 -1.46 0.00 0.00 37.83 35.29 1ily s LYS 92 CO 0.01 0.21 2.33 0.98 0.16 0.00 0.00 175.35 179.04 1ily n TYR 93 N 2.71 0.23 -4.23 4.03 9.36 -1.26 -4.85 117.16 123.16 1ily n TYR 93 Ca -0.14 0.11 -0.29 0.00 3.32 0.00 0.00 57.90 60.90 1ily n TYR 93 Cb 0.56 -1.17 -0.09 0.00 -0.63 0.00 0.00 39.34 38.01 1ily n TYR 93 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 1ily s HIS 94 N 3.40 2.74 0.01 2.98 -3.43 -1.26 -4.94 115.29 114.78 1ily s HIS 94 Ca 1.31 -0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 55.40 1ily s HIS 94 Cb -0.94 -1.40 0.01 0.00 -1.43 0.00 0.00 32.58 28.81 1ily s HIS 94 CO 0.52 0.45 0.07 0.41 -2.00 0.00 0.00 174.74 174.19 1ily n GLY 95 N 0.50 -0.10 0.29 -1.38 0.00 -1.26 0.10 105.19 103.34 1ily n GLY 95 Ca -0.13 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.64 -0.77 1.61 2.47 -1.93 -2.82 114.38 112.30 1ily h ARG 96 Ca 0.01 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 58.99 1ily h ARG 96 Cb 0.02 0.14 -0.14 0.00 -1.65 0.00 0.00 29.97 28.34 1ily h ARG 96 CO -0.04 -0.42 0.01 0.28 0.56 0.00 0.00 179.97 180.36 1ily n VAL 97 N -4.03 -0.32 0.00 2.04 0.31 0.28 0.95 118.33 117.55 1ily n VAL 97 Ca -0.08 1.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.95 1ily n VAL 97 Cb 0.28 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 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 -5.08 0.00 -0.28 5.55 4.01 -0.88 0.99 118.16 122.47 1ily n LYS 98 Ca 0.18 0.09 0.07 0.00 -0.51 0.00 0.00 58.31 58.14 1ily n LYS 98 Cb 0.59 -0.99 0.22 0.00 -0.51 0.00 0.00 35.03 34.33 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 1.21 -0.43 7.82 0.00 -1.25 0.18 119.26 124.79 1ily h ALA 99 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ily h ALA 99 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ily h ALA 99 CO 0.00 -0.17 0.24 1.25 0.00 0.00 0.00 179.25 180.57 1ily h LEU 100 N 0.53 0.54 -0.83 0.00 6.46 0.67 0.26 115.31 122.94 1ily h LEU 100 Ca 0.45 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 58.04 1ily h LEU 100 Cb 0.69 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1ily h LEU 100 CO -0.40 0.48 -0.03 0.00 -0.62 0.00 0.00 178.44 177.87 1ily h ALA 101 N 1.09 1.02 -0.40 1.25 0.00 0.21 0.13 119.26 122.56 1ily h ALA 101 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1ily h ALA 101 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ily h ALA 101 CO -0.02 0.60 -0.10 0.93 0.00 0.00 0.00 179.25 180.66 1ily h GLU 102 N 0.78 0.77 -0.03 0.00 5.08 -0.31 0.45 114.58 121.32 1ily h GLU 102 Ca 0.14 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1ily h GLU 102 Cb 0.51 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1ily h GLU 102 CO 0.03 0.90 -0.50 0.78 -1.00 0.00 0.00 179.01 179.22 1ily h GLY 103 N 0.58 -0.98 1.48 -3.84 0.00 0.10 9.03 103.07 109.44 1ily h GLY 103 Ca 0.10 0.61 0.01 0.00 0.00 0.00 0.00 47.33 48.05 1ily h GLY 103 CO 0.04 -0.23 0.35 0.00 0.00 0.00 0.00 176.54 176.69 1ily h ALA 104 N -0.24 1.64 0.01 3.60 0.00 0.12 1.11 119.26 125.49 1ily h ALA 104 Ca 0.03 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1ily h ALA 104 Cb 0.69 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ily h ALA 104 CO -0.36 0.34 -1.56 -0.09 0.00 0.00 0.00 179.25 177.57 1ily h ARG 105 N 0.70 0.01 -0.06 0.00 9.65 0.13 0.47 114.38 125.29 1ily h ARG 105 Ca 0.19 -0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.85 1ily h ARG 105 Cb -0.07 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1ily h ARG 105 CO -0.04 0.63 -0.79 1.05 2.80 0.00 0.00 179.97 183.62 1ily h GLU 106 N 0.00 0.40 -0.15 0.20 4.11 2.00 -3.24 114.58 117.90 1ily h GLU 106 Ca -0.23 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 58.78 1ily h GLU 106 Cb 1.96 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1ily h GLU 106 CO 0.09 1.01 -0.14 0.78 0.07 0.00 0.00 179.01 180.82 1ily h GLY 107 N 1.29 0.39 0.00 1.06 0.00 0.12 -3.47 103.07 102.45 1ily h GLY 107 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ily h GLY 107 CO 0.14 0.36 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1ily n GLY 108 N 0.19 0.11 3.77 4.60 0.00 -1.09 -4.77 105.19 108.00 1ily n GLY 108 Ca -0.06 0.00 -0.37 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 4.13 -0.40 0.99 1.02 0.16 -4.64 118.68 119.94 1ily s LEU 109 Ca 0.00 2.26 0.02 0.00 0.02 0.00 0.00 54.13 56.42 1ily s LEU 109 Cb 0.00 -4.13 0.12 0.00 0.02 0.00 0.00 46.19 42.20 1ily s LEU 109 CO 0.00 -0.70 0.18 -1.61 0.02 0.00 0.00 176.35 174.24 1ily s GLU 110 N -2.46 1.22 0.00 1.70 8.01 0.51 -3.45 118.70 124.23 1ily s GLU 110 Ca 0.59 -1.79 0.01 0.00 0.01 0.00 0.00 54.97 53.79 1ily s GLU 110 Cb -0.28 -2.44 0.01 0.00 -4.31 0.00 0.00 34.13 27.11 1ily s GLU 110 CO 0.35 -1.08 0.54 1.97 0.01 0.00 0.00 175.26 177.05