#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lsd s GLN 7 N 0.00 4.27 0.40 -1.46 0.74 -1.26 -4.99 119.66 117.36 3lsd s GLN 7 Ca 0.00 2.31 -0.25 0.00 0.05 0.00 0.00 55.36 57.47 3lsd s GLN 7 Cb 0.00 -3.10 -0.08 0.00 1.10 0.00 0.00 33.01 30.93 3lsd s GLN 7 CO 0.00 -0.40 1.15 0.00 -0.55 0.00 0.00 175.29 175.48 3lsd s ALA 8 N -0.17 3.13 0.61 1.58 0.00 -1.26 -4.48 121.76 121.17 3lsd s ALA 8 Ca 0.58 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 53.29 3lsd s ALA 8 Cb -0.42 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3lsd s ALA 8 CO 0.45 -0.48 1.10 -1.25 0.00 0.00 0.00 175.76 175.58 3lsd s PRO 9 N -2.35 3.08 -0.29 0.00 0.04 -1.26 -4.85 135.00 129.37 3lsd s PRO 9 Ca 0.58 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 3lsd s PRO 9 Cb -0.29 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3lsd s PRO 9 CO 0.36 -1.03 0.83 0.71 0.04 0.00 0.00 177.00 177.91 3lsd s TYR 10 N -2.22 3.23 -0.19 0.56 2.02 -0.27 -4.96 117.35 115.52 3lsd s TYR 10 Ca 0.68 0.95 -0.10 0.00 -0.37 0.00 0.00 57.07 58.23 3lsd s TYR 10 Cb -0.20 -3.21 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 3lsd s TYR 10 CO 0.36 -0.54 0.14 -0.51 -1.57 0.00 0.00 175.55 173.44 3lsd s LEU 11 N 2.99 4.24 -1.49 -1.29 1.43 -1.26 -1.01 118.68 122.29 3lsd s LEU 11 Ca 0.34 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 3lsd s LEU 11 Cb -0.14 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3lsd s LEU 11 CO 0.11 0.21 0.13 -1.20 0.23 0.00 0.00 176.35 175.83 3lsd n SER 12 N 3.29 0.04 -4.76 2.29 7.64 0.20 -4.90 113.62 117.41 3lsd n SER 12 Ca -0.16 -1.29 -0.41 0.00 1.01 0.00 0.00 58.87 58.02 3lsd n SER 12 Cb 0.52 -1.60 -0.01 0.00 -1.01 0.00 0.00 64.21 62.12 3lsd n SER 12 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3lsd s PRO 13 N -7.41 4.17 0.39 1.43 0.04 -1.26 -4.97 135.00 127.39 3lsd s PRO 13 Ca 0.09 2.49 -0.24 0.00 0.04 0.00 0.00 61.00 63.38 3lsd s PRO 13 Cb -0.05 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 3lsd s PRO 13 CO 1.00 -0.51 1.05 0.00 0.04 0.00 0.00 177.00 178.58 3lsd s ALA 14 N -0.59 3.11 -0.43 8.56 0.00 -1.26 -4.21 121.76 126.95 3lsd s ALA 14 Ca 0.57 0.71 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 3lsd s ALA 14 Cb -0.45 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.48 3lsd s ALA 14 CO 0.54 -0.19 0.29 0.08 0.00 0.00 0.00 175.76 176.47 3lsd s VAL 15 N -1.63 4.26 -0.06 0.00 1.01 -1.26 -3.36 120.40 119.36 3lsd s VAL 15 Ca 0.57 -1.48 0.05 0.00 0.00 0.00 0.00 61.98 61.11 3lsd s VAL 15 Cb -0.22 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3lsd s VAL 15 CO 0.28 -0.58 -0.20 -2.84 0.00 0.00 0.00 175.10 171.77 3lsd s PRO 16 N 1.42 2.60 0.02 2.72 0.02 -1.26 -4.94 135.00 135.57 3lsd s PRO 16 Ca 0.04 -0.80 0.08 0.00 0.02 0.00 0.00 61.00 60.34 3lsd s PRO 16 Cb -0.24 -2.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 3lsd s PRO 16 CO 0.02 0.47 -0.24 0.12 -0.33 0.00 0.00 177.00 177.03 3lsd s PHE 17 N -0.35 2.15 -0.06 6.54 5.36 0.17 -4.97 117.98 126.83 3lsd s PHE 17 Ca 0.03 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 55.59 3lsd s PHE 17 Cb -0.12 -1.33 0.03 0.00 -0.34 0.00 0.00 43.02 41.26 3lsd s PHE 17 CO 0.02 0.06 -0.00 -1.12 -1.46 0.00 0.00 175.22 172.71 3lsd s SER 18 N -0.96 1.36 -0.03 6.13 0.01 -1.26 -0.21 113.70 118.73 3lsd s SER 18 Ca 0.10 -0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 3lsd s SER 18 Cb -0.09 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.73 3lsd s SER 18 CO 0.01 -0.17 0.10 -0.83 0.41 0.00 0.00 173.24 172.76 3lsd s GLY 19 N 1.72 -0.07 0.40 3.44 0.00 0.52 -5.00 107.32 108.34 3lsd s GLY 19 Ca 0.01 0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.71 3lsd s GLY 19 CO -0.04 0.21 1.42 -1.59 0.00 0.00 0.00 173.10 173.10 3lsd s THR 20 N -0.01 2.20 -0.40 0.90 2.01 -1.26 -0.08 115.64 119.00 3lsd s THR 20 Ca -0.01 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 3lsd s THR 20 Cb -0.01 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3lsd s THR 20 CO 0.00 0.04 0.31 -0.63 -0.69 0.00 0.00 174.62 173.65 3lsd s ILE 21 N -1.17 5.24 0.22 1.82 1.01 0.18 -4.73 121.20 123.78 3lsd s ILE 21 Ca 0.56 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 3lsd s ILE 21 Cb -0.44 -3.92 0.18 0.00 0.01 0.00 0.00 42.46 38.30 3lsd s ILE 21 CO 0.58 -0.29 1.71 1.56 0.00 0.00 0.00 174.94 178.49 3lsd h GLN 22 N 8.62 0.28 0.00 2.79 4.20 -1.95 -0.92 115.11 128.14 3lsd h GLN 22 Ca -0.27 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3lsd h GLN 22 Cb 1.12 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3lsd h GLN 22 CO 0.73 0.19 -0.08 0.41 -0.67 0.00 0.00 178.83 179.40 3lsd n GLY 23 N -1.32 -1.51 0.57 3.46 0.00 -1.26 -5.03 105.19 100.10 3lsd n GLY 23 Ca 0.10 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3lsd n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lsd n GLY 24 N 1.45 -1.98 3.76 -0.02 0.00 -0.35 -4.87 105.19 103.18 3lsd n GLY 24 Ca 0.06 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 3lsd n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lsd s LEU 25 N -5.24 3.86 -0.01 0.99 1.43 -0.78 -5.00 118.68 113.92 3lsd s LEU 25 Ca 0.00 2.53 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 3lsd s LEU 25 Cb 0.00 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.88 3lsd s LEU 25 CO 0.00 -1.37 0.05 -1.10 0.23 0.00 0.00 176.35 174.16 3lsd s GLN 26 N -2.93 0.15 -0.26 1.70 -1.52 -1.26 -4.53 119.66 111.01 3lsd s GLN 26 Ca 0.70 -0.10 -0.38 0.00 -1.95 0.00 0.00 55.36 53.63 3lsd s GLN 26 Cb -0.34 0.06 -0.14 0.00 -0.22 0.00 0.00 33.01 32.37 3lsd s GLN 26 CO 0.40 -0.03 1.88 -3.47 -0.25 0.00 0.00 175.29 173.82 3lsd n ASP 27 N 2.62 2.53 0.00 5.90 2.03 -1.26 -0.94 116.55 127.42 3lsd n ASP 27 Ca -0.15 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.07 3lsd n ASP 27 Cb 0.58 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 3lsd n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lsd n GLY 28 N 4.81 2.46 3.74 0.27 0.00 0.64 -4.99 105.19 112.12 3lsd n GLY 28 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3lsd n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lsd s LEU 29 N 0.00 4.38 -0.18 0.99 2.96 -0.12 -4.79 118.68 121.92 3lsd s LEU 29 Ca 0.00 2.67 -0.03 0.00 -0.22 0.00 0.00 54.13 56.54 3lsd s LEU 29 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3lsd s LEU 29 CO 0.00 -0.76 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.12 3lsd s GLN 30 N 0.18 3.53 -0.28 1.98 -0.21 -0.67 -0.88 119.66 123.31 3lsd s GLN 30 Ca 0.64 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 55.41 3lsd s GLN 30 Cb -0.43 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 30.69 3lsd s GLN 30 CO 0.39 0.07 -0.00 0.42 -2.12 0.00 0.00 175.29 174.04 3lsd s ILE 31 N 0.81 3.16 -0.23 1.08 1.09 0.96 -1.89 121.20 126.17 3lsd s ILE 31 Ca -0.01 -1.13 -0.12 0.00 -1.10 0.00 0.00 60.65 58.29 3lsd s ILE 31 Cb -0.15 -2.71 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 3lsd s ILE 31 CO 0.02 0.03 0.23 -0.89 -0.10 0.00 0.00 174.94 174.23 3lsd s THR 32 N 1.33 5.31 -0.26 2.92 2.01 -0.20 -0.61 115.64 126.13 3lsd s THR 32 Ca -0.02 0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 3lsd s THR 32 Cb -0.18 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.78 3lsd s THR 32 CO -0.01 0.31 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.52 3lsd s VAL 33 N 1.18 3.21 -0.24 3.82 1.01 0.83 -0.32 120.40 129.88 3lsd s VAL 33 Ca 0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 3lsd s VAL 33 Cb -0.14 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3lsd s VAL 33 CO 0.06 0.17 -0.06 0.21 0.00 0.00 0.00 175.10 175.47 3lsd s ASN 34 N 1.38 4.25 0.35 3.32 3.84 -0.71 0.07 114.94 127.44 3lsd s ASN 34 Ca 0.01 -0.73 -0.08 0.00 0.21 0.00 0.00 52.86 52.27 3lsd s ASN 34 Cb -0.17 -1.68 0.03 0.00 -0.55 0.00 0.00 41.25 38.89 3lsd s ASN 34 CO -0.02 -0.10 0.60 0.61 -2.79 0.00 0.00 177.10 175.40 3lsd n GLY 35 N 4.71 1.58 2.92 1.21 0.00 -1.07 -0.96 105.19 113.58 3lsd n GLY 35 Ca -0.17 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3lsd n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lsd s THR 36 N -2.47 -0.12 0.02 2.61 2.01 -0.70 -0.54 115.64 116.46 3lsd s THR 36 Ca 0.21 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 3lsd s THR 36 Cb -0.03 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 3lsd s THR 36 CO 0.15 0.09 1.27 -0.69 -0.69 0.00 0.00 174.62 174.75 3lsd s VAL 37 N 1.52 3.94 0.02 3.82 1.01 -1.26 -0.76 120.40 128.69 3lsd s VAL 37 Ca -0.06 1.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3lsd s VAL 37 Cb -0.12 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3lsd s VAL 37 CO -0.06 0.05 1.33 -0.76 0.00 0.00 0.00 175.10 175.66 3lsd s LEU 38 N 1.68 4.33 0.41 3.92 1.43 -1.23 -1.26 118.68 127.96 3lsd s LEU 38 Ca 0.60 2.08 -0.25 0.00 -1.03 0.00 0.00 54.13 55.52 3lsd s LEU 38 Cb -0.29 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.28 3lsd s LEU 38 CO 0.27 -0.65 1.21 -0.44 0.23 0.00 0.00 176.35 176.97 3lsd s SER 39 N 1.58 6.41 -1.71 2.29 0.01 -1.26 -3.56 113.70 117.46 3lsd s SER 39 Ca 0.62 2.43 -0.17 0.00 1.31 0.00 0.00 55.95 60.13 3lsd s SER 39 Cb -0.31 -2.62 0.16 0.00 0.21 0.00 0.00 66.02 63.46 3lsd s SER 39 CO 0.27 -0.76 0.69 -1.54 0.41 0.00 0.00 173.24 172.31 3lsd n SER 40 N 0.02 -2.61 -1.75 2.44 3.41 -1.26 -4.86 113.62 109.02 3lsd n SER 40 Ca 0.04 -1.07 -0.02 0.00 -0.26 0.00 0.00 58.87 57.56 3lsd n SER 40 Cb 0.46 -2.50 0.07 0.00 -0.26 0.00 0.00 64.21 61.98 3lsd n SER 40 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3lsd n SER 41 N -2.65 2.14 0.00 4.04 7.64 -1.23 -5.13 113.62 118.43 3lsd n SER 41 Ca 0.04 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.10 3lsd n SER 41 Cb 0.51 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3lsd n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lsd n GLY 42 N -0.42 0.90 0.00 0.23 0.00 -1.26 -4.58 105.19 100.06 3lsd n GLY 42 Ca 0.17 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3lsd n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lsd n THR 43 N 0.30 0.02 -3.94 2.61 -2.24 -1.26 -4.92 114.28 104.84 3lsd n THR 43 Ca 0.00 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 3lsd n THR 43 Cb 0.00 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.34 3lsd n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3lsd s ARG 44 N -0.02 0.66 0.14 -0.78 0.52 -1.26 0.68 118.95 118.89 3lsd s ARG 44 Ca 0.00 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 3lsd s ARG 44 Cb 0.00 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 3lsd s ARG 44 CO 0.00 -0.17 0.14 -0.59 0.02 0.00 0.00 175.30 174.70 3lsd s PHE 45 N -3.19 0.64 -0.02 -0.53 -0.71 -1.10 -1.06 117.98 112.01 3lsd s PHE 45 Ca 0.00 -1.03 -0.04 0.00 -1.04 0.00 0.00 56.93 54.82 3lsd s PHE 45 Cb 0.02 -0.30 0.00 0.00 -1.21 0.00 0.00 43.02 41.53 3lsd s PHE 45 CO -0.07 -0.59 0.09 0.00 -1.34 0.00 0.00 175.22 173.31 3lsd s ALA 46 N -4.00 -0.22 -0.17 1.99 0.00 -0.71 -2.48 121.76 116.17 3lsd s ALA 46 Ca 0.20 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 3lsd s ALA 46 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3lsd s ALA 46 CO 0.00 -0.10 -0.15 0.08 0.00 0.00 0.00 175.76 175.59 3lsd s VAL 47 N -0.49 2.65 -0.09 0.00 1.01 -0.06 -1.29 120.40 122.12 3lsd s VAL 47 Ca -0.06 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3lsd s VAL 47 Cb -0.04 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 3lsd s VAL 47 CO 0.00 0.51 -0.23 0.20 0.00 0.00 0.00 175.10 175.58 3lsd s ASN 48 N 0.97 3.01 -0.28 3.32 0.01 0.76 -0.88 114.94 121.85 3lsd s ASN 48 Ca -0.02 -0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 51.50 3lsd s ASN 48 Cb -0.15 -1.33 -0.02 0.00 0.41 0.00 0.00 41.25 40.17 3lsd s ASN 48 CO -0.03 0.16 0.11 -0.36 -1.51 0.00 0.00 177.10 175.48 3lsd s PHE 49 N 0.32 3.14 0.22 2.20 0.08 -0.36 -0.97 117.98 122.61 3lsd s PHE 49 Ca -0.17 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 3lsd s PHE 49 Cb -0.18 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 3lsd s PHE 49 CO 0.08 -0.42 0.17 1.14 -0.10 0.00 0.00 175.22 176.10 3lsd s GLN 50 N 1.61 1.28 -0.39 0.44 -2.07 -0.79 -1.15 119.66 118.59 3lsd s GLN 50 Ca 0.05 -1.64 -0.13 0.00 -1.82 0.00 0.00 55.36 51.82 3lsd s GLN 50 Cb -0.16 0.29 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 3lsd s GLN 50 CO 0.05 -0.44 0.25 0.99 -1.32 0.00 0.00 175.29 174.83 3lsd s THR 51 N -4.07 4.90 0.00 3.63 2.01 -0.98 -2.72 115.64 118.41 3lsd s THR 51 Ca 0.38 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.60 3lsd s THR 51 Cb 0.06 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.83 3lsd s THR 51 CO 0.13 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 3lsd n GLY 52 N 5.07 -1.60 0.19 4.40 0.00 -1.26 -4.66 105.19 107.33 3lsd n GLY 52 Ca -0.11 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.63 3lsd n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3lsd n PHE 53 N -0.11 0.00 -0.05 1.61 3.72 -1.26 -4.72 117.46 116.66 3lsd n PHE 53 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3lsd n PHE 53 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 3lsd n PHE 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3lsd h SER 54 N 0.91 0.24 0.00 4.37 4.64 -1.99 -3.47 113.55 118.24 3lsd h SER 54 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3lsd h SER 54 Cb 0.29 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3lsd h SER 54 CO 0.00 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3lsd n GLY 55 N -0.82 0.98 0.01 -0.77 0.00 -1.26 -4.99 105.19 98.34 3lsd n GLY 55 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3lsd n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lsd n ASN 56 N 0.00 0.68 -3.43 1.61 3.02 -1.26 -4.63 115.26 111.26 3lsd n ASN 56 Ca 0.00 -0.46 -0.27 0.00 -0.03 0.00 0.00 54.58 53.81 3lsd n ASN 56 Cb 0.00 0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 39.76 3lsd n ASN 56 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3lsd s ASP 57 N -3.34 1.78 -0.44 6.41 1.11 -1.26 -1.33 116.67 119.61 3lsd s ASP 57 Ca 0.07 -3.00 -0.12 0.00 0.18 0.00 0.00 52.55 49.68 3lsd s ASP 57 Cb 0.16 -0.50 0.07 0.00 1.07 0.00 0.00 42.92 43.72 3lsd s ASP 57 CO 0.79 -0.18 0.32 -0.63 1.18 0.00 0.00 175.17 176.64 3lsd s ILE 58 N 0.10 4.75 0.26 0.77 1.01 -0.74 -2.32 121.20 125.03 3lsd s ILE 58 Ca 0.31 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 3lsd s ILE 58 Cb 0.00 -3.84 0.25 0.00 0.01 0.00 0.00 42.46 38.88 3lsd s ILE 58 CO -0.17 -0.50 1.86 0.00 0.00 0.00 0.00 174.94 176.13 3lsd h ALA 59 N 8.57 1.31 -2.78 9.38 0.00 -1.35 0.27 119.26 134.66 3lsd h ALA 59 Ca -0.26 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 3lsd h ALA 59 Cb 1.10 -0.27 -0.34 0.00 0.00 0.00 0.00 17.79 18.28 3lsd h ALA 59 CO 0.80 0.35 -0.59 0.12 0.00 0.00 0.00 179.25 179.94 3lsd s PHE 60 N -6.04 -0.33 -0.28 0.00 5.36 -1.06 -4.55 117.98 111.07 3lsd s PHE 60 Ca -0.12 0.64 -0.06 0.00 -0.96 0.00 0.00 56.93 56.42 3lsd s PHE 60 Cb 0.19 -0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 3lsd s PHE 60 CO 0.80 -0.42 0.06 -1.58 -1.46 0.00 0.00 175.22 172.62 3lsd s HIS 61 N 2.36 3.13 -0.28 10.12 5.65 -0.16 -1.22 115.29 134.89 3lsd s HIS 61 Ca 0.04 -1.00 -0.08 0.00 0.25 0.00 0.00 55.06 54.27 3lsd s HIS 61 Cb -0.13 -2.23 -0.02 0.00 -1.18 0.00 0.00 32.58 29.03 3lsd s HIS 61 CO -0.09 -0.58 0.10 0.12 -0.65 0.00 0.00 174.74 173.64 3lsd s PHE 62 N 1.49 3.13 -0.47 3.88 5.36 -0.06 -2.07 117.98 129.24 3lsd s PHE 62 Ca 0.03 -0.55 0.03 0.00 -0.96 0.00 0.00 56.93 55.47 3lsd s PHE 62 Cb -0.17 -2.28 0.15 0.00 -0.34 0.00 0.00 43.02 40.38 3lsd s PHE 62 CO 0.02 -0.42 0.32 1.21 -1.46 0.00 0.00 175.22 174.88 3lsd s ASN 63 N 1.60 3.12 0.20 6.13 3.04 0.13 -0.88 114.94 128.27 3lsd s ASN 63 Ca 0.05 -2.95 -0.30 0.00 0.04 0.00 0.00 52.86 49.70 3lsd s ASN 63 Cb -0.16 -0.89 -0.08 0.00 -1.54 0.00 0.00 41.25 38.57 3lsd s ASN 63 CO 0.04 -0.21 1.17 -2.84 -3.04 0.00 0.00 177.10 172.22 3lsd s PRO 64 N -0.01 4.53 -0.11 0.43 0.02 -1.04 -1.70 135.00 137.13 3lsd s PRO 64 Ca 0.24 1.84 -0.00 0.00 0.02 0.00 0.00 61.00 63.10 3lsd s PRO 64 Cb -0.12 -3.23 0.02 0.00 0.02 0.00 0.00 34.50 31.20 3lsd s PRO 64 CO -0.09 -0.01 -0.07 1.03 -0.33 0.00 0.00 177.00 177.53 3lsd s ARG 65 N -0.52 1.45 -1.40 5.54 0.52 0.81 -2.70 118.95 122.66 3lsd s ARG 65 Ca 0.51 -0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 55.42 3lsd s ARG 65 Cb -0.32 -1.53 0.07 0.00 0.52 0.00 0.00 34.95 33.68 3lsd s ARG 65 CO 0.38 -0.27 2.52 1.19 0.02 0.00 0.00 175.30 179.14 3lsd n PHE 66 N 4.94 2.57 -3.99 -0.53 3.01 0.22 -1.52 117.46 122.16 3lsd n PHE 66 Ca -0.12 -2.89 -0.11 0.00 1.01 0.00 0.00 57.45 55.34 3lsd n PHE 66 Cb 0.50 -2.02 -0.12 0.00 -0.01 0.00 0.00 39.48 37.84 3lsd n PHE 66 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3lsd s GLU 67 N -0.22 0.32 -1.52 -1.08 2.02 -1.26 -4.86 118.70 112.10 3lsd s GLU 67 Ca 0.58 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.04 3lsd s GLU 67 Cb 0.18 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.38 3lsd s GLU 67 CO -0.08 -0.01 0.00 -0.25 0.02 0.00 0.00 175.26 174.94 3lsd n ASP 68 N 1.87 -5.10 0.00 -0.19 8.00 -1.26 -1.30 116.55 118.56 3lsd n ASP 68 Ca -0.21 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3lsd n ASP 68 Cb 0.56 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 3lsd n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lsd n GLY 69 N -0.90 2.46 0.00 0.44 0.00 -1.26 -4.90 105.19 101.02 3lsd n GLY 69 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3lsd n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lsd n GLY 70 N -0.63 2.45 3.72 -0.02 0.00 -0.42 -4.85 105.19 105.44 3lsd n GLY 70 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 3lsd n GLY 70 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lsd s TYR 71 N 0.00 -0.10 -0.02 1.61 1.13 -0.58 -3.93 117.35 115.46 3lsd s TYR 71 Ca 0.00 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.38 3lsd s TYR 71 Cb 0.00 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 3lsd s TYR 71 CO 0.00 -1.11 -0.07 0.08 -2.51 0.00 0.00 175.55 171.94 3lsd s VAL 72 N -3.92 0.61 -0.06 -3.49 1.01 -0.49 -0.13 120.40 113.92 3lsd s VAL 72 Ca 0.12 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3lsd s VAL 72 Cb -0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3lsd s VAL 72 CO 0.04 0.20 -0.13 -0.69 0.00 0.00 0.00 175.10 174.52 3lsd s VAL 73 N 0.21 3.15 -0.02 2.92 1.01 -0.69 -0.49 120.40 126.49 3lsd s VAL 73 Ca -0.03 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3lsd s VAL 73 Cb -0.07 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3lsd s VAL 73 CO 0.00 0.58 -0.22 0.00 0.00 0.00 0.00 175.10 175.47 3lsd s ASN 75 N -0.50 -0.18 -0.01 0.00 3.84 -0.88 -0.85 114.94 116.37 3lsd s ASN 75 Ca 0.08 -0.75 0.04 0.00 0.21 0.00 0.00 52.86 52.44 3lsd s ASN 75 Cb -0.08 0.74 -0.01 0.00 -0.55 0.00 0.00 41.25 41.34 3lsd s ASN 75 CO -0.01 -1.39 -0.14 -0.89 -2.79 0.00 0.00 177.10 171.88 3lsd s THR 76 N -3.62 1.14 -0.10 -5.21 2.01 -1.26 -0.99 115.64 107.61 3lsd s THR 76 Ca 0.13 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.54 3lsd s THR 76 Cb -0.05 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 3lsd s THR 76 CO 0.08 0.32 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.57 3lsd s ARG 77 N -0.34 3.01 -0.03 4.92 3.52 0.96 -1.40 118.95 129.59 3lsd s ARG 77 Ca 0.06 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 3lsd s ARG 77 Cb -0.06 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 30.90 3lsd s ARG 77 CO -0.01 0.34 0.04 -0.65 -0.81 0.00 0.00 175.30 174.21 3lsd s GLN 78 N 0.01 -0.02 -1.72 5.12 -0.21 -0.04 -1.79 119.66 121.00 3lsd s GLN 78 Ca -0.05 0.28 -0.19 0.00 0.02 0.00 0.00 55.36 55.42 3lsd s GLN 78 Cb -0.15 -0.42 0.16 0.00 1.00 0.00 0.00 33.01 33.60 3lsd s GLN 78 CO 0.05 -0.26 0.74 -1.71 -2.12 0.00 0.00 175.29 171.99 3lsd n ASN 79 N 4.81 -2.96 -1.17 5.90 5.15 -1.20 -1.54 115.26 124.23 3lsd n ASN 79 Ca -0.14 -1.05 -0.14 0.00 -0.60 0.00 0.00 54.58 52.66 3lsd n ASN 79 Cb 0.50 -2.59 -0.05 0.00 -0.53 0.00 0.00 39.78 37.11 3lsd n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lsd n GLY 80 N -1.38 1.03 3.34 8.20 0.00 -0.44 -5.03 105.19 110.91 3lsd n GLY 80 Ca 0.07 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 3lsd n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lsd s SER 81 N -2.74 3.85 0.26 1.61 0.01 -0.59 -5.13 113.70 110.96 3lsd s SER 81 Ca 0.00 -0.37 -0.28 0.00 1.31 0.00 0.00 55.95 56.61 3lsd s SER 81 Cb 0.00 -1.58 -0.09 0.00 0.21 0.00 0.00 66.02 64.56 3lsd s SER 81 CO 0.00 0.15 0.91 0.26 0.41 0.00 0.00 173.24 174.97 3lsd s TRP 82 N 0.41 3.87 0.00 2.43 0.52 -1.26 -0.86 118.94 124.04 3lsd s TRP 82 Ca -0.11 1.81 0.00 0.00 0.02 0.00 0.00 56.10 57.82 3lsd s TRP 82 Cb -0.16 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 3lsd s TRP 82 CO 0.05 0.38 0.00 0.41 0.02 0.00 0.00 176.95 177.81 3lsd n GLY 83 N 1.16 0.81 3.73 0.98 0.00 -0.50 -4.99 105.19 106.38 3lsd n GLY 83 Ca -0.01 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3lsd n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lsd s PRO 84 N 1.50 4.41 0.45 1.61 0.04 -1.26 -4.84 135.00 136.91 3lsd s PRO 84 Ca 0.00 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 3lsd s PRO 84 Cb 0.00 -3.25 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 3lsd s PRO 84 CO 0.00 -0.26 1.11 -1.21 0.04 0.00 0.00 177.00 176.68 3lsd s GLU 85 N 0.44 3.86 -0.38 4.56 2.02 -1.26 -4.76 118.70 123.18 3lsd s GLU 85 Ca 0.58 1.62 -0.03 0.00 0.02 0.00 0.00 54.97 57.16 3lsd s GLU 85 Cb -0.34 -2.37 0.10 0.00 0.10 0.00 0.00 34.13 31.61 3lsd s GLU 85 CO 0.34 -0.43 0.15 -1.21 0.02 0.00 0.00 175.26 174.13 3lsd s GLU 86 N -2.76 2.08 0.12 1.61 2.02 -0.03 -4.97 118.70 116.78 3lsd s GLU 86 Ca 0.63 -1.69 -0.14 0.00 0.02 0.00 0.00 54.97 53.79 3lsd s GLU 86 Cb -0.24 -3.49 -0.07 0.00 0.10 0.00 0.00 34.13 30.43 3lsd s GLU 86 CO 0.30 -0.96 0.52 0.50 0.02 0.00 0.00 175.26 175.63 3lsd s ARG 87 N 1.16 3.96 -0.15 1.61 3.52 -1.26 -1.28 118.95 126.52 3lsd s ARG 87 Ca 0.05 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 3lsd s ARG 87 Cb -0.22 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3lsd s ARG 87 CO -0.03 0.51 -0.14 0.15 -0.81 0.00 0.00 175.30 174.98 3lsd s LYS 88 N -1.84 2.23 -1.58 5.12 1.02 0.35 -5.00 119.74 120.05 3lsd s LYS 88 Ca 0.36 -0.53 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 3lsd s LYS 88 Cb -0.15 -2.06 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 3lsd s LYS 88 CO 0.19 -0.24 2.77 2.41 -0.92 0.00 0.00 175.35 179.56 3lsd n THR 89 N 4.78 4.08 -3.71 2.17 -1.04 -1.26 -1.40 114.28 117.91 3lsd n THR 89 Ca -0.17 -2.67 -0.14 0.00 -2.04 0.00 0.00 64.05 59.04 3lsd n THR 89 Cb 0.50 -2.61 -0.09 0.00 -1.82 0.00 0.00 70.33 66.31 3lsd n THR 89 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3lsd s HIS 90 N 2.45 -0.38 -0.36 -1.42 5.04 -1.25 -4.95 115.29 114.42 3lsd s HIS 90 Ca 0.64 0.77 0.03 0.00 -1.54 0.00 0.00 55.06 54.96 3lsd s HIS 90 Cb 0.17 0.18 0.10 0.00 0.04 0.00 0.00 32.58 33.07 3lsd s HIS 90 CO -0.07 -0.37 0.09 1.41 -2.34 0.00 0.00 174.74 173.47 3lsd s MET 91 N -0.70 1.43 0.00 2.88 1.75 -1.26 -3.98 119.30 119.42 3lsd s MET 91 Ca -0.08 -1.87 0.15 0.00 -1.25 0.00 0.00 55.69 52.64 3lsd s MET 91 Cb -0.04 -3.03 0.66 0.00 2.84 0.00 0.00 34.83 35.26 3lsd s MET 91 CO 0.04 -0.98 1.46 -0.35 -0.65 0.00 0.00 175.02 174.54 3lsd n PRO 92 N 4.16 1.40 -4.23 4.11 -0.04 -1.26 -4.81 135.00 134.33 3lsd n PRO 92 Ca 0.03 -0.60 -0.30 0.00 -0.04 0.00 0.00 63.50 62.59 3lsd n PRO 92 Cb 0.40 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 3lsd n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3lsd s PHE 93 N -1.84 2.87 -0.03 0.54 0.08 -1.26 -5.03 117.98 113.30 3lsd s PHE 93 Ca 0.24 -0.08 0.07 0.00 0.12 0.00 0.00 56.93 57.28 3lsd s PHE 93 Cb 0.12 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3lsd s PHE 93 CO 0.19 0.44 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.87 3lsd s GLN 94 N -2.11 2.26 0.29 0.44 -0.21 -1.26 -5.11 119.66 113.97 3lsd s GLN 94 Ca 0.22 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 3lsd s GLN 94 Cb -0.11 -2.15 -0.11 0.00 1.00 0.00 0.00 33.01 31.64 3lsd s GLN 94 CO 0.14 0.56 1.57 0.15 -2.12 0.00 0.00 175.29 175.59 3lsd s LYS 95 N -0.60 4.14 0.00 2.91 1.02 -1.26 -2.51 119.74 123.44 3lsd s LYS 95 Ca 0.09 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.63 3lsd s LYS 95 Cb -0.11 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3lsd s LYS 95 CO -0.00 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 3lsd n GLY 96 N 2.03 0.87 3.20 -3.33 0.00 -0.38 -4.94 105.19 102.62 3lsd n GLY 96 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3lsd n GLY 96 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3lsd s MET 97 N -0.45 3.07 0.42 1.61 -1.94 -1.04 -5.01 119.30 115.96 3lsd s MET 97 Ca 0.00 -0.80 -0.26 0.00 -1.71 0.00 0.00 55.69 52.92 3lsd s MET 97 Cb 0.00 -2.80 -0.10 0.00 2.01 0.00 0.00 34.83 33.95 3lsd s MET 97 CO 0.00 -0.25 1.42 -2.30 -0.01 0.00 0.00 175.02 173.89 3lsd n PRO 98 N 4.68 2.34 -4.32 2.03 -0.02 -1.26 -4.55 135.00 133.90 3lsd n PRO 98 Ca -0.19 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 61.88 3lsd n PRO 98 Cb 0.50 -2.60 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 3lsd n PRO 98 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3lsd s PHE 99 N -1.16 1.89 -0.39 6.00 -0.12 0.30 -4.98 117.98 119.52 3lsd s PHE 99 Ca 0.58 -0.43 -0.12 0.00 -0.05 0.00 0.00 56.93 56.91 3lsd s PHE 99 Cb -0.47 -0.99 0.03 0.00 -0.63 0.00 0.00 43.02 40.95 3lsd s PHE 99 CO 0.60 0.29 0.24 -0.51 -0.05 0.00 0.00 175.22 175.78 3lsd s ASP 100 N -2.26 5.85 -0.37 1.98 1.01 -1.26 -2.59 116.67 119.03 3lsd s ASP 100 Ca 0.12 -0.99 -0.11 0.00 0.71 0.00 0.00 52.55 52.28 3lsd s ASP 100 Cb -0.08 -2.06 0.03 0.00 1.01 0.00 0.00 42.92 41.81 3lsd s ASP 100 CO 0.06 -0.41 0.20 -0.22 0.21 0.00 0.00 175.17 175.01 3lsd s LEU 101 N 1.59 4.68 -0.18 1.23 2.96 0.11 -0.51 118.68 128.56 3lsd s LEU 101 Ca 0.03 -0.98 -0.00 0.00 -0.22 0.00 0.00 54.13 52.96 3lsd s LEU 101 Cb -0.19 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3lsd s LEU 101 CO 0.08 -0.38 -0.15 0.00 -1.32 0.00 0.00 176.35 174.58 3lsd s PHE 103 N 1.23 3.22 -0.26 0.00 0.08 0.22 -1.50 117.98 120.97 3lsd s PHE 103 Ca 0.03 0.10 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 3lsd s PHE 103 Cb -0.14 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.69 3lsd s PHE 103 CO -0.07 -0.32 0.16 -1.17 -0.10 0.00 0.00 175.22 173.72 3lsd s LEU 104 N 1.95 3.95 0.01 -0.37 2.96 -0.33 -0.03 118.68 126.82 3lsd s LEU 104 Ca 0.11 -0.00 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 3lsd s LEU 104 Cb -0.16 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3lsd s LEU 104 CO 0.11 -0.01 1.02 -0.69 -1.32 0.00 0.00 176.35 175.47 3lsd s VAL 105 N 1.49 4.71 0.42 1.68 1.01 -0.06 -0.90 120.40 128.75 3lsd s VAL 105 Ca 0.07 1.94 0.03 0.00 0.00 0.00 0.00 61.98 64.02 3lsd s VAL 105 Cb -0.15 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 3lsd s VAL 105 CO 0.08 0.15 0.09 0.00 0.00 0.00 0.00 175.10 175.42 3lsd n GLN 106 N 3.91 0.67 -0.10 2.72 1.13 -0.26 -0.26 117.38 125.20 3lsd n GLN 106 Ca 0.07 -3.40 -0.11 0.00 -1.94 0.00 0.00 57.00 51.62 3lsd n GLN 106 Cb 0.50 1.52 0.03 0.00 0.11 0.00 0.00 30.24 32.40 3lsd n GLN 106 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3lsd h SER 107 N 1.43 0.88 0.00 1.08 0.02 -1.97 -3.32 113.55 111.68 3lsd h SER 107 Ca -0.34 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 3lsd h SER 107 Cb 1.19 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3lsd h SER 107 CO 0.55 1.13 -1.29 -1.54 -1.14 0.00 0.00 176.83 174.54 3lsd n SER 108 N -4.07 1.46 -3.83 3.07 3.41 -1.26 -4.96 113.62 107.43 3lsd n SER 108 Ca -0.01 -0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.24 3lsd n SER 108 Cb 0.50 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.84 3lsd n SER 108 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3lsd s ASP 109 N -3.13 -0.25 -0.07 4.04 -4.77 -1.25 -1.95 116.67 109.29 3lsd s ASP 109 Ca -0.02 -0.61 -0.12 0.00 -3.30 0.00 0.00 52.55 48.51 3lsd s ASP 109 Cb 0.09 0.67 -0.05 0.00 -1.09 0.00 0.00 42.92 42.54 3lsd s ASP 109 CO 0.56 -1.23 0.29 -0.36 0.70 0.00 0.00 175.17 175.13 3lsd s PHE 110 N -3.92 3.64 -0.21 2.11 0.08 -0.02 -1.10 117.98 118.55 3lsd s PHE 110 Ca 0.12 0.76 -0.13 0.00 0.12 0.00 0.00 56.93 57.80 3lsd s PHE 110 Cb -0.04 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3lsd s PHE 110 CO 0.04 0.60 0.28 0.15 -0.10 0.00 0.00 175.22 176.20 3lsd s LYS 111 N -0.78 4.14 -0.31 0.44 1.02 -0.08 -0.63 119.74 123.55 3lsd s LYS 111 Ca 0.19 -0.02 -0.07 0.00 0.02 0.00 0.00 55.97 56.10 3lsd s LYS 111 Cb -0.14 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 3lsd s LYS 111 CO 0.08 0.05 0.09 0.08 -0.92 0.00 0.00 175.35 174.73 3lsd s VAL 112 N 1.07 3.99 -0.12 3.17 1.01 0.14 -1.19 120.40 128.47 3lsd s VAL 112 Ca 0.14 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 3lsd s VAL 112 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3lsd s VAL 112 CO 0.06 0.03 0.12 -0.04 0.00 0.00 0.00 175.10 175.26 3lsd s MET 113 N 1.49 3.38 -0.22 2.72 -1.94 -0.56 0.16 119.30 124.33 3lsd s MET 113 Ca 0.02 -0.17 -0.01 0.00 -1.71 0.00 0.00 55.69 53.82 3lsd s MET 113 Cb -0.18 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.54 3lsd s MET 113 CO 0.03 0.77 -0.10 0.08 -0.01 0.00 0.00 175.02 175.79 3lsd s VAL 114 N -1.00 2.77 -1.67 -6.03 1.01 -0.05 -1.19 120.40 114.24 3lsd s VAL 114 Ca 0.15 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 3lsd s VAL 114 Cb -0.12 -2.30 0.14 0.00 0.00 0.00 0.00 36.38 34.10 3lsd s VAL 114 CO 0.04 0.37 0.83 0.59 0.00 0.00 0.00 175.10 176.92 3lsd n ASN 115 N 4.69 -3.61 0.00 3.32 3.02 0.33 -1.16 115.26 121.85 3lsd n ASN 115 Ca -0.18 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3lsd n ASN 115 Cb 0.49 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 3lsd n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lsd n GLY 116 N -1.47 2.41 3.72 7.41 0.00 -1.26 -5.03 105.19 110.97 3lsd n GLY 116 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3lsd n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lsd s ILE 117 N -2.24 5.28 0.13 -0.61 1.01 -0.31 -4.96 121.20 119.49 3lsd s ILE 117 Ca 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 60.65 60.93 3lsd s ILE 117 Cb 0.00 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 3lsd s ILE 117 CO 0.00 0.36 1.72 -0.11 0.00 0.00 0.00 174.94 176.91 3lsd n LEU 118 N 3.71 3.57 -0.08 2.97 7.94 -1.26 -0.88 117.00 132.97 3lsd n LEU 118 Ca -0.11 1.04 -0.14 0.00 -1.11 0.00 0.00 56.01 55.69 3lsd n LEU 118 Cb 0.52 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.94 3lsd n LEU 118 CO 0.40 -0.04 -0.83 0.33 -1.11 0.00 0.00 177.39 176.15 3lsd n PHE 119 N 4.55 0.00 -3.87 1.96 7.35 0.42 -4.86 117.46 123.01 3lsd n PHE 119 Ca 0.18 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.75 3lsd n PHE 119 Cb 0.32 -0.56 -0.11 0.00 0.35 0.00 0.00 39.48 39.48 3lsd n PHE 119 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3lsd s VAL 120 N -2.61 0.05 -0.19 -2.13 0.11 -1.01 -5.01 120.40 109.61 3lsd s VAL 120 Ca -0.27 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 58.31 3lsd s VAL 120 Cb 0.07 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 3lsd s VAL 120 CO 0.37 -0.23 0.02 -1.10 -3.33 0.00 0.00 175.10 170.83 3lsd s GLN 121 N -0.76 3.77 -0.20 1.54 -0.21 -1.26 -0.68 119.66 121.86 3lsd s GLN 121 Ca -0.08 -0.45 0.01 0.00 0.02 0.00 0.00 55.36 54.86 3lsd s GLN 121 Cb -0.05 -3.13 0.04 0.00 1.00 0.00 0.00 33.01 30.87 3lsd s GLN 121 CO 0.01 0.14 -0.14 -0.47 -2.12 0.00 0.00 175.29 172.71 3lsd s TYR 122 N 0.70 2.68 0.14 0.91 5.04 0.20 -4.95 117.35 122.08 3lsd s TYR 122 Ca 0.01 -1.73 -0.30 0.00 -2.44 0.00 0.00 57.07 52.61 3lsd s TYR 122 Cb -0.14 -1.78 -0.08 0.00 0.35 0.00 0.00 41.96 40.32 3lsd s TYR 122 CO 0.02 -0.78 1.26 -0.06 -1.34 0.00 0.00 175.55 174.65 3lsd s PHE 123 N 1.31 3.36 0.20 4.97 0.08 -1.26 -0.84 117.98 125.79 3lsd s PHE 123 Ca -0.00 1.26 -0.33 0.00 0.12 0.00 0.00 56.93 57.98 3lsd s PHE 123 Cb -0.16 -3.52 -0.14 0.00 -0.57 0.00 0.00 43.02 38.64 3lsd s PHE 123 CO -0.09 -1.60 1.44 0.72 -0.10 0.00 0.00 175.22 175.58 3lsd n HIS 124 N 3.15 2.09 -0.04 0.36 8.25 -0.82 -4.88 115.22 123.33 3lsd n HIS 124 Ca 0.07 0.41 -0.01 0.00 -0.26 0.00 0.00 57.72 57.93 3lsd n HIS 124 Cb 0.44 -2.46 -0.11 0.00 1.12 0.00 0.00 29.99 28.98 3lsd n HIS 124 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3lsd n ARG 125 N 2.50 1.26 -4.20 -0.41 1.74 -1.26 -4.97 116.66 111.32 3lsd n ARG 125 Ca 0.14 -0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.01 3lsd n ARG 125 Cb 0.29 -1.35 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3lsd n ARG 125 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3lsd s VAL 126 N -2.60 1.08 0.13 1.55 -7.23 -1.26 -5.10 120.40 106.97 3lsd s VAL 126 Ca -0.06 -1.63 -0.33 0.00 -1.81 0.00 0.00 61.98 58.15 3lsd s VAL 126 Cb 0.06 -1.38 -0.13 0.00 0.56 0.00 0.00 36.38 35.49 3lsd s VAL 126 CO 0.58 -0.48 1.70 -2.65 -0.31 0.00 0.00 175.10 173.93 3lsd n PRO 127 N 0.62 2.41 -0.34 4.82 -0.02 -1.26 -4.88 135.00 136.35 3lsd n PRO 127 Ca -0.16 0.87 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 3lsd n PRO 127 Cb 0.57 -2.69 0.09 0.00 -0.02 0.00 0.00 33.50 31.45 3lsd n PRO 127 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3lsd h PHE 128 N 7.00 1.17 -0.40 6.00 -0.00 -1.96 -2.55 116.94 126.20 3lsd h PHE 128 Ca -0.45 0.01 0.12 0.00 -0.00 0.00 0.00 57.97 57.64 3lsd h PHE 128 Cb 1.24 -0.39 -0.02 0.00 -0.00 0.00 0.00 35.95 36.78 3lsd h PHE 128 CO 0.69 0.76 0.41 1.12 -0.00 0.00 0.00 178.31 181.29 3lsd h HIS 129 N 1.24 0.00 0.00 6.09 2.07 -1.90 -0.53 115.15 122.11 3lsd h HIS 129 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 3lsd h HIS 129 Cb -0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.89 3lsd h HIS 129 CO -0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3lsd n ARG 130 N -3.81 0.10 -2.67 5.12 1.74 -0.96 -4.57 116.66 111.62 3lsd n ARG 130 Ca 0.07 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 3lsd n ARG 130 Cb 0.58 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3lsd n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3lsd s VAL 131 N -2.88 4.74 -0.01 1.55 1.01 -0.21 -4.49 120.40 120.11 3lsd s VAL 131 Ca 0.16 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.17 3lsd s VAL 131 Cb 0.17 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3lsd s VAL 131 CO 0.45 -0.03 0.86 -0.90 0.00 0.00 0.00 175.10 175.48 3lsd n ASP 132 N 5.28 1.36 -3.74 3.32 5.68 -1.11 -1.87 116.55 125.47 3lsd n ASP 132 Ca 0.09 -1.77 -0.12 0.00 -0.50 0.00 0.00 54.79 52.49 3lsd n ASP 132 Cb 0.48 -0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.31 3lsd n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3lsd s THR 133 N -0.79 -0.01 -0.03 2.12 2.01 -1.10 0.50 115.64 118.32 3lsd s THR 133 Ca 0.02 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.12 3lsd s THR 133 Cb 0.02 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 3lsd s THR 133 CO 0.00 0.02 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.29 3lsd s ILE 134 N 0.65 2.95 -0.02 1.82 2.07 0.89 -1.89 121.20 127.68 3lsd s ILE 134 Ca -0.04 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.40 3lsd s ILE 134 Cb -0.05 -2.16 0.01 0.00 0.13 0.00 0.00 42.46 40.38 3lsd s ILE 134 CO -0.04 0.56 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.95 3lsd s SER 135 N -0.82 0.72 -0.02 4.50 0.15 -0.14 -0.36 113.70 117.73 3lsd s SER 135 Ca 0.12 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.73 3lsd s SER 135 Cb -0.11 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 3lsd s SER 135 CO 0.01 0.02 -0.22 -0.69 1.20 0.00 0.00 173.24 173.56 3lsd s VAL 136 N 0.25 1.77 0.24 4.45 1.01 0.71 -0.17 120.40 128.67 3lsd s VAL 136 Ca -0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3lsd s VAL 136 Cb -0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3lsd s VAL 136 CO -0.00 0.50 0.26 0.54 0.00 0.00 0.00 175.10 176.40 3lsd s ASN 137 N -0.43 0.43 0.00 3.32 2.20 -0.41 -0.65 114.94 119.39 3lsd s ASN 137 Ca 0.06 -1.37 0.00 0.00 -0.94 0.00 0.00 52.86 50.61 3lsd s ASN 137 Cb -0.10 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.63 3lsd s ASN 137 CO -0.00 -0.98 0.00 0.61 -2.94 0.00 0.00 177.10 173.79 3lsd n GLY 138 N -0.38 -1.39 2.72 0.45 0.00 -1.26 -1.73 105.19 103.59 3lsd n GLY 138 Ca 0.02 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3lsd n GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3lsd n SER 139 N 0.12 4.53 -3.69 1.61 7.64 -0.23 -4.86 113.62 118.74 3lsd n SER 139 Ca 0.00 -2.73 -0.14 0.00 1.01 0.00 0.00 58.87 57.00 3lsd n SER 139 Cb 0.00 -1.51 -0.08 0.00 -1.01 0.00 0.00 64.21 61.61 3lsd n SER 139 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3lsd s VAL 140 N 3.36 0.02 -0.10 0.44 0.11 -1.26 -3.51 120.40 119.46 3lsd s VAL 140 Ca 0.52 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 3lsd s VAL 140 Cb 0.15 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3lsd s VAL 140 CO -0.04 -0.08 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.01 3lsd s GLN 141 N -0.48 3.12 0.05 1.54 0.74 0.06 -4.82 119.66 119.87 3lsd s GLN 141 Ca -0.06 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.79 3lsd s GLN 141 Cb -0.03 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 3lsd s GLN 141 CO 0.03 0.49 0.23 -0.51 -0.55 0.00 0.00 175.29 174.98 3lsd s LEU 142 N -0.33 4.35 -0.15 3.68 1.43 -1.26 -1.72 118.68 124.69 3lsd s LEU 142 Ca 0.05 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 3lsd s LEU 142 Cb -0.12 -2.91 -0.11 0.00 0.03 0.00 0.00 46.19 43.07 3lsd s LEU 142 CO 0.02 0.18 -0.10 -1.20 0.23 0.00 0.00 176.35 175.49 3lsd n SER 143 N 0.45 2.62 -3.47 2.29 7.64 -0.13 -4.31 113.62 118.70 3lsd n SER 143 Ca -0.06 -0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.65 3lsd n SER 143 Cb 0.51 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 3lsd n SER 143 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3lsd s TYR 144 N -2.31 -0.44 -0.08 1.43 1.13 -1.03 0.62 117.35 116.67 3lsd s TYR 144 Ca -0.18 0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 3lsd s TYR 144 Cb 0.05 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.47 3lsd s TYR 144 CO 0.39 -0.67 -0.08 0.42 -2.51 0.00 0.00 175.55 173.09 3lsd s ILE 145 N -3.28 0.96 0.20 -3.49 1.01 -0.18 -1.73 121.20 114.69 3lsd s ILE 145 Ca 0.03 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3lsd s ILE 145 Cb -0.01 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 3lsd s ILE 145 CO -0.10 0.34 -0.11 -0.94 0.00 0.00 0.00 174.94 174.13 3lsd s SER 146 N 1.25 2.31 0.02 3.58 1.04 0.56 -1.12 113.70 121.34 3lsd s SER 146 Ca -0.04 -1.05 0.04 0.00 0.48 0.00 0.00 55.95 55.38 3lsd s SER 146 Cb -0.14 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 3lsd s SER 146 CO -0.03 -0.26 -0.13 -0.36 0.98 0.00 0.00 173.24 173.43 3lsd s PHE 147 N -3.11 1.19 0.00 5.02 0.40 -1.26 -1.04 117.98 119.18 3lsd s PHE 147 Ca 0.22 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3lsd s PHE 147 Cb 0.01 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.82 3lsd s PHE 147 CO 0.06 0.01 0.00 0.94 0.70 0.00 0.00 175.22 176.93