#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ily n LEU 23 N 0.00 0.47 -4.66 2.89 4.32 -1.26 -3.86 117.00 114.90 1ily n LEU 23 Ca 0.00 1.15 -0.37 0.00 -0.02 0.00 0.00 56.01 56.77 1ily n LEU 23 Cb 0.00 -1.01 -0.09 0.00 -1.62 0.00 0.00 43.42 40.70 1ily n LEU 23 CO 0.00 -1.68 -0.12 -0.60 -1.22 0.00 0.00 177.39 173.77 1ily s ARG 24 N 0.08 4.09 0.13 3.23 3.52 0.15 0.28 118.95 130.42 1ily s ARG 24 Ca 0.87 -0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 56.13 1ily s ARG 24 Cb -1.15 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 28.63 1ily s ARG 24 CO 0.54 0.03 0.58 -1.17 -0.81 0.00 0.00 175.30 174.47 1ily s LEU 25 N 1.14 4.41 -0.22 -0.88 0.20 0.12 -0.66 118.68 122.79 1ily s LEU 25 Ca 0.10 1.19 -0.04 0.00 0.69 0.00 0.00 54.13 56.07 1ily s LEU 25 Cb -0.14 -3.16 0.10 0.00 -0.43 0.00 0.00 46.19 42.56 1ily s LEU 25 CO 0.05 0.16 0.24 -0.44 -0.29 0.00 0.00 176.35 176.08 1ily s SER 26 N -1.47 1.36 -0.34 3.68 0.01 0.12 -2.67 113.70 114.39 1ily s SER 26 Ca 0.35 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.21 1ily s SER 26 Cb -0.17 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 1ily s SER 26 CO 0.19 -0.33 0.27 0.54 0.41 0.00 0.00 173.24 174.32 1ily s VAL 27 N 2.34 5.25 0.23 3.43 0.11 -1.26 0.51 120.40 131.02 1ily s VAL 27 Ca 0.08 -0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 1ily s VAL 27 Cb -0.16 -3.74 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 1ily s VAL 27 CO -0.15 -0.03 0.49 0.12 -3.33 0.00 0.00 175.10 172.21 1ily s PHE 28 N 1.81 3.46 -0.17 1.54 5.36 0.19 -4.84 117.98 125.33 1ily s PHE 28 Ca 0.08 0.66 -0.05 0.00 -0.96 0.00 0.00 56.93 56.66 1ily s PHE 28 Cb -0.17 -2.11 0.08 0.00 -0.34 0.00 0.00 43.02 40.48 1ily s PHE 28 CO 0.11 0.28 0.33 1.03 -1.46 0.00 0.00 175.22 175.51 1ily s ARG 29 N -3.09 0.23 -0.17 10.12 0.52 -1.26 -1.21 118.95 124.09 1ily s ARG 29 Ca 0.44 0.82 -0.17 0.00 -0.52 0.00 0.00 55.73 56.31 1ily s ARG 29 Cb -0.11 0.03 -0.22 0.00 0.52 0.00 0.00 34.95 35.17 1ily s ARG 29 CO 0.26 -0.31 0.29 1.03 0.02 0.00 0.00 175.30 176.58 1ily h SER 30 N 8.24 0.16 0.00 0.23 0.87 -2.00 -3.50 113.55 117.56 1ily h SER 30 Ca -0.15 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 1ily h SER 30 Cb 1.12 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1ily h SER 30 CO 0.14 1.62 0.00 -0.11 -0.53 0.00 0.00 176.83 177.95 1ily n LEU 31 N -4.10 -0.14 -0.26 2.23 7.94 -1.26 -4.93 117.00 116.47 1ily n LEU 31 Ca -0.32 0.50 0.04 0.00 -1.11 0.00 0.00 56.01 55.13 1ily n LEU 31 Cb 0.81 0.60 0.09 0.00 0.53 0.00 0.00 43.42 45.46 1ily n LEU 31 CO 0.28 0.01 0.57 0.29 -1.11 0.00 0.00 177.39 177.43 1ily n LYS 32 N -2.99 2.67 -4.39 1.96 4.76 -1.26 -5.03 118.16 113.89 1ily n LYS 32 Ca 0.00 -1.96 -0.28 0.00 -2.87 0.00 0.00 58.31 53.20 1ily n LYS 32 Cb 0.00 -1.24 -0.07 0.00 -1.84 0.00 0.00 35.03 31.88 1ily n LYS 32 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1ily s HIS 33 N -1.50 2.16 -0.30 2.13 3.76 -1.26 -4.99 115.29 115.30 1ily s HIS 33 Ca 0.16 -0.77 -0.06 0.00 -0.15 0.00 0.00 55.06 54.24 1ily s HIS 33 Cb 0.11 -1.80 0.16 0.00 1.11 0.00 0.00 32.58 32.16 1ily s HIS 33 CO 0.05 0.13 0.62 -1.50 -0.85 0.00 0.00 174.74 173.20 1ily s ILE 34 N -2.74 -1.00 -0.20 0.60 1.10 -1.26 -4.20 121.20 113.49 1ily s ILE 34 Ca 0.27 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.40 1ily s ILE 34 Cb 0.03 -1.00 0.06 0.00 0.15 0.00 0.00 42.46 41.70 1ily s ILE 34 CO 0.15 -0.00 -0.02 -0.31 -2.11 0.00 0.00 174.94 172.65 1ily s TYR 35 N 2.88 1.74 -0.22 3.50 1.51 -0.35 -2.71 117.35 123.69 1ily s TYR 35 Ca 0.07 -1.28 -0.16 0.00 -1.01 0.00 0.00 57.07 54.69 1ily s TYR 35 Cb -0.13 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1ily s TYR 35 CO -0.20 -0.68 0.43 0.00 -1.11 0.00 0.00 175.55 174.00 1ily s ALA 36 N 1.62 3.56 -0.23 3.71 0.00 -0.29 0.54 121.76 130.67 1ily s ALA 36 Ca -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1ily s ALA 36 Cb -0.17 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1ily s ALA 36 CO -0.07 -0.46 -0.09 -1.14 0.00 0.00 0.00 175.76 174.01 1ily s GLN 37 N 1.66 2.96 -0.53 0.00 2.00 0.18 -1.99 119.66 123.95 1ily s GLN 37 Ca 0.20 -0.88 -0.16 0.00 -2.00 0.00 0.00 55.36 52.51 1ily s GLN 37 Cb -0.15 -2.91 0.11 0.00 0.80 0.00 0.00 33.01 30.86 1ily s GLN 37 CO 0.09 -0.32 0.51 0.42 -0.50 0.00 0.00 175.29 175.48 1ily s ILE 38 N 1.34 5.14 0.27 -2.34 -1.09 0.14 0.14 121.20 124.81 1ily s ILE 38 Ca 0.02 -1.24 0.06 0.00 -2.23 0.00 0.00 60.65 57.26 1ily s ILE 38 Cb -0.15 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1ily s ILE 38 CO -0.06 -0.82 0.35 -0.63 -1.23 0.00 0.00 174.94 172.55 1ily s ILE 39 N 1.84 4.71 -0.31 2.92 1.09 0.17 -2.01 121.20 129.60 1ily s ILE 39 Ca 0.05 -1.09 -0.19 0.00 -1.10 0.00 0.00 60.65 58.32 1ily s ILE 39 Cb -0.27 -3.62 -0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1ily s ILE 39 CO 0.05 -0.28 0.54 -0.62 -0.10 0.00 0.00 174.94 174.53 1ily s ASP 40 N -4.00 6.40 -0.26 3.58 -1.08 0.24 0.33 116.67 121.87 1ily s ASP 40 Ca 0.37 0.27 0.04 0.00 -0.52 0.00 0.00 52.55 52.71 1ily s ASP 40 Cb -0.09 -2.29 0.47 0.00 -1.46 0.00 0.00 42.92 39.56 1ily s ASP 40 CO 0.29 -0.41 1.54 -0.67 0.52 0.00 0.00 175.17 176.43 1ily n ASP 41 N 5.71 3.67 -0.08 -0.34 -0.08 -1.25 -2.52 116.55 121.67 1ily n ASP 41 Ca -0.04 -2.96 -0.14 0.00 -1.51 0.00 0.00 54.79 50.14 1ily n ASP 41 Cb 0.49 -0.70 -0.06 0.00 2.34 0.00 0.00 41.12 43.19 1ily n ASP 41 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ily n GLU 42 N -0.34 0.34 -3.71 -0.67 2.13 -1.26 -4.85 120.64 112.29 1ily n GLU 42 Ca 0.34 0.12 -0.22 0.00 0.66 0.00 0.00 57.16 58.07 1ily n GLU 42 Cb 1.18 -1.14 -0.18 0.00 0.27 0.00 0.00 31.44 31.58 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 -2.29 0.25 -0.97 5.31 3.01 -1.25 -5.05 119.74 118.76 1ily s LYS 43 Ca -0.21 0.17 -0.11 0.00 -1.01 0.00 0.00 55.97 54.81 1ily s LYS 43 Cb 0.07 -0.95 -0.31 0.00 -1.01 0.00 0.00 37.83 35.63 1ily s LYS 43 CO 0.30 -0.38 2.17 0.41 0.51 0.00 0.00 175.35 178.36 1ily n GLY 44 N 5.22 -0.46 2.67 -3.33 0.00 -1.22 -4.51 105.19 103.57 1ily n GLY 44 Ca -0.05 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 1.74 0.14 -0.07 1.61 1.01 -1.05 -4.95 120.40 118.82 1ily s VAL 45 Ca 1.26 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1ily s VAL 45 Cb -0.76 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1ily s VAL 45 CO 0.51 -0.13 1.20 -0.89 0.00 0.00 0.00 175.10 175.78 1ily s THR 46 N 2.04 4.28 -0.09 3.92 2.01 -1.26 0.81 115.64 127.35 1ily s THR 46 Ca 0.02 1.60 -0.11 0.00 0.31 0.00 0.00 61.69 63.51 1ily s THR 46 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1ily s THR 46 CO -0.07 -0.02 -0.22 0.18 -0.69 0.00 0.00 174.62 173.79 1ily n LEU 47 N 5.38 1.57 -4.32 4.42 4.32 -0.85 -4.94 117.00 122.58 1ily n LEU 47 Ca 0.11 0.25 -0.31 0.00 -0.02 0.00 0.00 56.01 56.05 1ily n LEU 47 Cb 0.46 -0.58 -0.15 0.00 -1.62 0.00 0.00 43.42 41.53 1ily n LEU 47 CO 0.55 -0.31 -0.57 -0.69 -1.22 0.00 0.00 177.39 175.15 1ily s VAL 48 N -2.53 2.08 -0.21 4.08 1.01 -0.97 -5.01 120.40 118.85 1ily s VAL 48 Ca -0.19 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1ily s VAL 48 Cb 0.04 -1.75 0.10 0.00 0.00 0.00 0.00 36.38 34.78 1ily s VAL 48 CO 0.28 0.49 0.36 -0.94 0.00 0.00 0.00 175.10 175.29 1ily s SER 49 N -0.86 0.21 0.10 3.32 1.04 -1.26 0.28 113.70 116.53 1ily s SER 49 Ca 0.11 0.49 0.06 0.00 0.48 0.00 0.00 55.95 57.09 1ily s SER 49 Cb -0.10 1.05 -0.03 0.00 0.10 0.00 0.00 66.02 67.04 1ily s SER 49 CO 0.00 -0.27 -0.16 0.00 0.98 0.00 0.00 173.24 173.79 1ily s ALA 50 N 2.53 1.49 -0.11 5.32 0.00 -0.84 -4.99 121.76 125.16 1ily s ALA 50 Ca 0.06 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 1ily s ALA 50 Cb -0.14 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1ily s ALA 50 CO -0.13 0.20 0.37 -1.54 0.00 0.00 0.00 175.76 174.66 1ily s SER 51 N -2.08 -0.35 0.60 0.00 1.04 -1.26 -1.14 113.70 110.51 1ily s SER 51 Ca 0.05 0.60 0.29 0.00 0.48 0.00 0.00 55.95 57.37 1ily s SER 51 Cb -0.08 0.66 1.57 0.00 0.10 0.00 0.00 66.02 68.26 1ily s SER 51 CO 0.03 -0.22 1.97 -1.28 0.98 0.00 0.00 173.24 174.72 1ily h SER 52 N 5.06 0.00 -0.01 7.02 0.87 -1.89 -2.79 113.55 121.81 1ily h SER 52 Ca -0.27 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1ily h SER 52 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1ily h SER 52 CO 0.30 0.00 -0.23 0.25 -0.53 0.00 0.00 176.83 176.62 1ily h LEU 53 N 0.00 -0.72 -2.33 2.23 7.12 -1.94 0.44 115.31 120.11 1ily h LEU 53 Ca 0.14 0.08 0.03 0.00 0.13 0.00 0.00 57.88 58.26 1ily h LEU 53 Cb 0.87 0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1ily h LEU 53 CO -0.00 -0.22 0.16 0.00 -0.13 0.00 0.00 178.44 178.25 1ily h ALA 54 N -1.03 1.63 -0.35 1.25 0.00 -1.91 0.83 119.26 119.69 1ily h ALA 54 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ily h ALA 54 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ily h ALA 54 CO -0.16 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.15 1ily n LEU 55 N -3.64 2.18 -0.46 0.00 4.32 0.43 -4.93 117.00 114.90 1ily n LEU 55 Ca 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 56.01 54.90 1ily n LEU 55 Cb 0.26 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1ily n LEU 55 CO 0.25 0.47 0.00 0.29 -1.22 0.00 0.00 177.39 177.19 1ily n LYS 56 N 0.51 -0.12 -0.36 3.23 5.02 0.29 -4.77 118.16 121.96 1ily n LYS 56 Ca 0.12 -0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 1ily n LYS 56 Cb 0.38 0.10 0.26 0.00 -0.02 0.00 0.00 35.03 35.75 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 -0.11 -1.05 -4.62 -0.35 -0.00 -1.24 -4.90 117.00 104.73 1ily n LEU 57 Ca 0.00 -0.57 -0.43 0.00 -0.00 0.00 0.00 56.01 55.01 1ily n LEU 57 Cb 0.00 -1.04 -0.02 0.00 -0.00 0.00 0.00 43.42 42.36 1ily n LEU 57 CO 0.00 -4.00 0.95 -0.54 -0.00 0.00 0.00 177.39 173.80 1ily s LYS 58 N -4.55 3.95 -0.53 1.47 1.02 -1.26 -4.93 119.74 114.91 1ily s LYS 58 Ca 0.63 0.88 -0.35 0.00 0.02 0.00 0.00 55.97 57.15 1ily s LYS 58 Cb -0.15 -3.79 -0.15 0.00 -0.52 0.00 0.00 37.83 33.22 1ily s LYS 58 CO 0.57 -1.03 2.30 0.41 -0.92 0.00 0.00 175.35 176.68 1ily n GLY 59 N 4.18 0.12 2.00 -3.33 0.00 -1.26 -4.47 105.19 102.43 1ily n GLY 59 Ca 0.11 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 10.14 -0.03 0.00 1.61 4.13 -1.26 -5.18 115.26 124.67 1ily n ASN 60 Ca 0.49 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1ily n ASN 60 Cb 0.17 0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 1ily n ASN 60 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ily n LYS 61 N -2.51 0.00 -0.70 3.52 3.00 -1.26 -5.01 118.16 115.20 1ily n LYS 61 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1ily n LYS 61 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1ily n LYS 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ily n THR 62 N 0.00 2.04 -0.11 3.15 -2.24 -1.26 -4.30 114.28 111.56 1ily n THR 62 Ca 0.00 -1.28 -0.21 0.00 -2.27 0.00 0.00 64.05 60.29 1ily n THR 62 Cb 0.00 -2.08 -0.09 0.00 -2.10 0.00 0.00 70.33 66.07 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 4.68 0.55 0.04 -0.78 2.13 -1.26 -4.63 120.64 121.38 1ily n GLU 63 Ca 0.40 0.42 0.08 0.00 0.66 0.00 0.00 57.16 58.72 1ily n GLU 63 Cb 0.15 -1.62 -0.08 0.00 0.27 0.00 0.00 31.44 30.16 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 -4.40 0.57 -0.33 6.31 0.31 -1.26 -4.33 118.33 115.19 1ily n VAL 64 Ca -0.34 -0.58 0.30 0.00 -0.01 0.00 0.00 64.34 63.71 1ily n VAL 64 Cb 0.68 -0.31 0.54 0.00 -0.91 0.00 0.00 33.84 33.83 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 -2.28 1.01 0.26 3.52 0.00 -1.26 0.15 120.51 121.90 1ily n ALA 65 Ca -0.05 0.81 -0.12 0.00 0.00 0.00 0.00 53.44 54.07 1ily n ALA 65 Cb 0.65 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.68 -0.31 0.00 2.43 -1.67 -1.62 114.38 112.52 1ily h ARG 66 Ca 0.73 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 60.04 1ily h ARG 66 Cb 2.14 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.83 1ily h ARG 66 CO -0.54 -0.41 0.58 1.96 -1.51 0.00 0.00 179.97 180.05 1ily h GLN 67 N -1.13 0.00 0.11 0.20 4.20 0.11 1.39 115.11 119.98 1ily h GLN 67 Ca -0.07 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.36 1ily h GLN 67 Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.38 1ily h GLN 67 CO 0.12 0.00 -1.19 -0.24 -0.67 0.00 0.00 178.83 176.85 1ily h VAL 68 N 0.00 1.39 -0.01 -0.54 3.04 0.80 -1.86 116.25 119.07 1ily h VAL 68 Ca 0.15 -2.70 -0.23 0.00 -1.01 0.00 0.00 66.70 62.91 1ily h VAL 68 Cb 1.30 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 33.33 1ily h VAL 68 CO -0.00 0.80 -0.93 1.23 -1.01 0.00 0.00 177.57 177.66 1ily h GLY 69 N 1.00 0.50 1.40 3.17 0.00 0.25 -2.38 103.07 107.02 1ily h GLY 69 Ca -0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.24 1ily h GLY 69 CO 0.21 0.75 -0.13 0.07 0.00 0.00 0.00 176.54 177.45 1ily h ARG 70 N 0.26 0.71 0.34 4.80 -0.00 0.45 0.99 114.38 121.93 1ily h ARG 70 Ca -0.08 -0.23 -0.02 0.00 -0.00 0.00 0.00 59.98 59.65 1ily h ARG 70 Cb 1.56 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.47 1ily h ARG 70 CO 0.16 0.81 -0.16 0.00 -0.00 0.00 0.00 179.97 180.78 1ily h ALA 71 N 1.22 -0.46 -0.31 0.08 0.00 -1.28 0.41 119.26 118.93 1ily h ALA 71 Ca 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ily h ALA 71 Cb 0.58 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ily h ALA 71 CO 0.04 -0.69 0.11 1.37 0.00 0.00 0.00 179.25 180.08 1ily h LEU 72 N -0.60 0.44 -2.09 0.00 8.10 -1.27 -0.51 115.31 119.38 1ily h LEU 72 Ca -0.05 -0.19 0.09 0.00 0.11 0.00 0.00 57.88 57.85 1ily h LEU 72 Cb 0.44 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1ily h LEU 72 CO 0.08 0.51 0.30 0.00 -4.11 0.00 0.00 178.44 175.21 1ily h ALA 73 N 0.95 2.09 -0.08 0.17 0.00 0.11 1.03 119.26 123.53 1ily h ALA 73 Ca 0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1ily h ALA 73 Cb 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ily h ALA 73 CO -0.01 -0.47 -0.74 1.49 0.00 0.00 0.00 179.25 179.52 1ily h GLU 74 N 0.00 0.43 0.17 0.00 4.81 0.14 -1.60 114.58 118.52 1ily h GLU 74 Ca 0.15 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1ily h GLU 74 Cb 0.75 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1ily h GLU 74 CO -0.00 0.99 -0.08 0.87 -0.73 0.00 0.00 179.01 180.06 1ily h LYS 75 N 0.29 -0.22 -0.95 1.92 1.57 0.18 -2.65 116.57 116.71 1ily h LYS 75 Ca -0.03 0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.05 1ily h LYS 75 Cb 1.33 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.53 1ily h LYS 75 CO 0.13 -0.14 0.37 0.00 -0.57 0.00 0.00 179.45 179.23 1ily h ALA 76 N -1.43 1.62 -0.95 3.86 0.00 0.24 1.42 119.26 124.02 1ily h ALA 76 Ca -0.02 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ily h ALA 76 Cb 0.17 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1ily h ALA 76 CO 0.04 -0.58 0.61 -0.07 0.00 0.00 0.00 179.25 179.25 1ily h LEU 77 N 0.20 1.02 -1.90 0.00 3.38 -1.35 -1.07 115.31 115.59 1ily h LEU 77 Ca 0.66 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.74 1ily h LEU 77 Cb 1.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1ily h LEU 77 CO -0.69 0.69 0.48 0.00 0.09 0.00 0.00 178.44 179.02 1ily h ALA 78 N 1.39 2.05 0.00 1.53 0.00 0.23 1.21 119.26 125.68 1ily h ALA 78 Ca 0.38 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1ily h ALA 78 Cb 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ily h ALA 78 CO -0.13 -0.68 -1.44 -0.07 0.00 0.00 0.00 179.25 176.93 1ily h LEU 79 N 0.00 0.00 0.00 0.00 3.38 -1.15 -3.48 115.31 114.06 1ily h LEU 79 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ily h LEU 79 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ily h LEU 79 CO -0.00 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1ily n GLY 80 N 1.43 1.31 3.57 0.83 0.00 0.42 -5.04 105.19 107.69 1ily n GLY 80 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 3.17 -0.17 -0.61 1.09 -0.82 -4.79 121.20 117.08 1ily s ILE 81 Ca 0.00 0.13 -0.13 0.00 -1.10 0.00 0.00 60.65 59.55 1ily s ILE 81 Cb 0.00 -3.37 -0.07 0.00 -1.06 0.00 0.00 42.46 37.96 1ily s ILE 81 CO 0.00 -0.32 -0.13 1.17 -0.10 0.00 0.00 174.94 175.56 1ily n LYS 82 N 8.93 0.49 -4.43 2.79 4.81 -1.26 -4.27 118.16 125.22 1ily n LYS 82 Ca 0.29 0.49 -0.33 0.00 -0.87 0.00 0.00 58.31 57.89 1ily n LYS 82 Cb 0.51 -1.67 -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 -2.36 2.70 0.20 1.64 1.11 -1.26 0.21 119.66 121.91 1ily s GLN 83 Ca -0.20 -0.63 0.04 0.00 0.01 0.00 0.00 55.36 54.58 1ily s GLN 83 Cb 0.04 -2.60 -0.05 0.00 -1.01 0.00 0.00 33.01 29.39 1ily s GLN 83 CO 0.33 0.63 -0.06 0.08 0.01 0.00 0.00 175.29 176.29 1ily s VAL 84 N -0.98 1.19 -0.46 1.09 1.01 0.06 -4.23 120.40 118.09 1ily s VAL 84 Ca 0.17 -2.07 -0.12 0.00 0.00 0.00 0.00 61.98 59.95 1ily s VAL 84 Cb -0.11 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.22 1ily s VAL 84 CO 0.07 -0.51 0.35 0.00 0.00 0.00 0.00 175.10 175.01 1ily s ALA 85 N -3.31 3.45 -0.42 5.51 0.00 0.14 -3.99 121.76 123.15 1ily s ALA 85 Ca 0.24 -2.25 -0.28 0.00 0.00 0.00 0.00 51.96 49.67 1ily s ALA 85 Cb 0.04 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.27 1ily s ALA 85 CO 0.06 -1.77 1.05 0.12 0.00 0.00 0.00 175.76 175.22 1ily s PHE 86 N 1.52 2.96 -0.34 0.00 5.36 -1.26 0.10 117.98 126.33 1ily s PHE 86 Ca 0.04 0.80 0.16 0.00 -0.96 0.00 0.00 56.93 56.97 1ily s PHE 86 Cb -0.25 -4.04 0.44 0.00 -0.34 0.00 0.00 43.02 38.83 1ily s PHE 86 CO 0.03 -1.04 0.97 -0.25 -1.46 0.00 0.00 175.22 173.48 1ily n ASP 87 N 7.30 0.91 -0.38 6.13 9.92 -1.09 -4.96 116.55 134.39 1ily n ASP 87 Ca 0.10 -2.74 0.33 0.00 -0.53 0.00 0.00 54.79 51.96 1ily n ASP 87 Cb 0.48 -0.32 0.60 0.00 -0.64 0.00 0.00 41.12 41.25 1ily n ASP 87 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1ily h ARG 88 N 2.89 0.07 0.00 -1.24 -0.00 -1.89 -3.47 114.38 110.74 1ily h ARG 88 Ca -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.88 1ily h ARG 88 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 1ily h ARG 88 CO 0.43 0.04 0.00 0.41 -0.00 0.00 0.00 179.97 180.85 1ily n GLY 89 N -1.37 0.20 2.07 0.08 0.00 -1.26 -4.72 105.19 100.19 1ily n GLY 89 Ca 0.37 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 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 2.00 -3.59 1.61 -0.04 -1.26 -4.93 135.00 128.79 1ily n PRO 90 Ca 0.00 -1.83 -0.20 0.00 -0.04 0.00 0.00 63.50 61.43 1ily n PRO 90 Cb 0.00 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 31.66 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 -1.82 3.22 0.10 0.54 1.51 -1.26 -5.13 117.35 114.51 1ily s TYR 91 Ca 0.40 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 1ily s TYR 91 Cb 0.29 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1ily s TYR 91 CO -0.06 0.10 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.78 1ily s LYS 92 N -4.14 0.88 -0.38 -0.62 -2.85 -1.26 -5.08 119.74 106.29 1ily s LYS 92 Ca 0.42 -1.15 -0.39 0.00 -1.00 0.00 0.00 55.97 53.84 1ily s LYS 92 Cb -0.09 -0.64 -0.15 0.00 -2.06 0.00 0.00 37.83 34.89 1ily s LYS 92 CO 0.31 0.11 2.06 0.98 0.10 0.00 0.00 175.35 178.91 1ily n TYR 93 N 0.63 1.59 -4.16 1.78 9.36 -1.26 -4.92 117.16 120.18 1ily n TYR 93 Ca -0.16 0.50 -0.14 0.00 3.32 0.00 0.00 57.90 61.41 1ily n TYR 93 Cb 0.57 -2.44 -0.11 0.00 -0.63 0.00 0.00 39.34 36.73 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 5.96 1.00 0.29 2.98 2.46 -1.26 -5.02 115.29 121.70 1ily s HIS 94 Ca 1.10 -0.62 0.20 0.00 0.47 0.00 0.00 55.06 56.21 1ily s HIS 94 Cb -1.11 -0.56 0.99 0.00 -0.13 0.00 0.00 32.58 31.77 1ily s HIS 94 CO 0.59 -0.02 1.06 0.41 -2.47 0.00 0.00 174.74 174.31 1ily n GLY 95 N 0.77 -0.56 0.00 1.59 0.00 -1.26 -1.39 105.19 104.34 1ily n GLY 95 Ca -0.18 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.16 0.00 -0.18 1.61 5.12 -1.26 -3.37 116.66 114.42 1ily n ARG 96 Ca 0.27 0.46 0.01 0.00 -1.93 0.00 0.00 57.85 56.66 1ily n ARG 96 Cb 1.02 -1.19 0.05 0.00 -1.16 0.00 0.00 32.46 31.18 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 -1.87 -0.23 0.00 1.55 0.31 -0.49 0.10 118.33 117.70 1ily n VAL 97 Ca 0.00 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.48 1ily n VAL 97 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 -4.77 0.00 -0.29 5.55 2.85 -1.16 0.10 118.16 120.43 1ily n LYS 98 Ca 0.07 0.33 0.10 0.00 -1.05 0.00 0.00 58.31 57.76 1ily n LYS 98 Cb 0.23 -1.25 0.26 0.00 -0.65 0.00 0.00 35.03 33.61 1ily n LYS 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ily h ALA 99 N -1.92 1.31 -0.05 0.58 0.00 -1.16 0.08 119.26 118.10 1ily h ALA 99 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ily h ALA 99 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ily h ALA 99 CO 0.00 -0.24 -0.00 1.25 0.00 0.00 0.00 179.25 180.26 1ily h LEU 100 N 0.48 0.10 -1.52 0.00 6.46 0.70 -2.29 115.31 119.23 1ily h LEU 100 Ca 0.50 -0.33 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1ily h LEU 100 Cb 0.85 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1ily h LEU 100 CO -0.46 0.41 0.42 0.00 -0.62 0.00 0.00 178.44 178.19 1ily h ALA 101 N 0.69 1.86 -0.37 1.25 0.00 0.18 0.14 119.26 123.02 1ily h ALA 101 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ily h ALA 101 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ily h ALA 101 CO 0.00 0.02 -0.08 0.93 0.00 0.00 0.00 179.25 180.12 1ily h GLU 102 N 0.56 0.70 0.01 0.00 5.08 -0.89 0.20 114.58 120.25 1ily h GLU 102 Ca 0.28 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ily h GLU 102 Cb 0.38 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1ily h GLU 102 CO -0.09 0.85 -0.46 0.78 -1.00 0.00 0.00 179.01 179.09 1ily h GLY 103 N 0.50 -1.17 0.42 -3.84 0.00 -0.26 7.18 103.07 105.89 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 -0.28 0.50 0.00 0.00 0.00 0.00 176.54 176.80 1ily h ALA 104 N -0.60 1.30 0.02 3.60 0.00 -0.20 0.94 119.26 124.31 1ily h ALA 104 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ily h ALA 104 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ily h ALA 104 CO -0.30 0.07 -0.01 -0.09 0.00 0.00 0.00 179.25 178.92 1ily h ARG 105 N 0.79 -0.03 -0.89 0.00 9.65 0.41 0.27 114.38 124.57 1ily h ARG 105 Ca 0.44 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.56 1ily h ARG 105 Cb 0.49 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 28.94 1ily h ARG 105 CO -0.29 0.40 0.33 1.05 2.80 0.00 0.00 179.97 184.26 1ily h GLU 106 N -0.99 0.29 0.00 0.20 4.11 1.53 0.26 114.58 119.98 1ily h GLU 106 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ily h GLU 106 Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ily h GLU 106 CO 0.01 0.19 -0.00 0.78 0.07 0.00 0.00 179.01 180.06 1ily h GLY 107 N 0.30 -0.00 0.00 1.06 0.00 0.80 -3.47 103.07 101.77 1ily h GLY 107 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1ily h GLY 107 CO -0.59 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.56 1ily n GLY 108 N -0.98 0.07 3.77 4.60 0.00 0.91 -4.76 105.19 108.80 1ily n GLY 108 Ca -0.07 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 4.04 -0.41 0.99 1.02 0.92 -4.65 118.68 120.59 1ily s LEU 109 Ca 0.00 2.22 0.02 0.00 0.02 0.00 0.00 54.13 56.38 1ily s LEU 109 Cb 0.00 -4.24 0.12 0.00 0.02 0.00 0.00 46.19 42.10 1ily s LEU 109 CO 0.00 -0.79 0.19 -1.61 0.02 0.00 0.00 176.35 174.16 1ily s GLU 110 N -2.66 1.26 0.00 1.70 8.01 0.58 -3.50 118.70 124.08 1ily s GLU 110 Ca 0.62 -1.86 0.00 0.00 0.01 0.00 0.00 54.97 53.74 1ily s GLU 110 Cb -0.26 -2.45 0.00 0.00 -4.31 0.00 0.00 34.13 27.10 1ily s GLU 110 CO 0.32 -1.10 0.50 1.97 0.01 0.00 0.00 175.26 176.97