#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lsd s VAL 2 N 0.00 5.15 0.43 3.15 1.01 -1.26 -0.69 120.40 128.18 1lsd s VAL 2 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 1lsd s VAL 2 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1lsd s VAL 2 CO 0.00 -0.16 1.04 -0.36 0.00 0.00 0.00 175.10 175.62 1lsd s PHE 3 N 2.05 3.17 0.50 5.22 0.40 -0.20 -5.00 117.98 124.12 1lsd s PHE 3 Ca 0.12 1.62 -0.16 0.00 -0.60 0.00 0.00 56.93 57.91 1lsd s PHE 3 Cb -0.17 -3.10 -0.08 0.00 0.51 0.00 0.00 43.02 40.18 1lsd s PHE 3 CO 0.12 -0.69 0.95 0.20 0.70 0.00 0.00 175.22 176.50 1lsd s GLY 4 N -1.72 2.06 0.10 4.36 0.00 -1.26 -4.84 107.32 106.01 1lsd s GLY 4 Ca 0.61 0.14 -0.32 0.00 0.00 0.00 0.00 44.72 45.15 1lsd s GLY 4 CO 0.25 0.40 1.51 -0.09 0.00 0.00 0.00 173.10 175.16 1lsd h ARG 5 N 1.01 -0.67 -0.06 2.90 2.43 -1.97 -0.69 114.38 117.32 1lsd h ARG 5 Ca -0.47 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 1lsd h ARG 5 Cb 1.18 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1lsd h ARG 5 CO 0.62 -0.45 -0.40 0.00 -1.51 0.00 0.00 179.97 178.23 1lsd h GLU 7 N 0.11 0.57 -0.29 0.00 4.81 -1.94 -1.40 114.58 116.45 1lsd h GLU 7 Ca 0.01 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1lsd h GLU 7 Cb 0.76 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1lsd h GLU 7 CO 0.06 0.47 -0.25 1.25 -0.73 0.00 0.00 179.01 179.81 1lsd h LEU 8 N 0.52 0.72 -0.86 1.64 5.85 -0.91 -2.13 115.31 120.14 1lsd h LEU 8 Ca 0.14 -0.46 0.15 0.00 0.84 0.00 0.00 57.88 58.55 1lsd h LEU 8 Cb 0.07 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 40.80 1lsd h LEU 8 CO -0.02 1.03 0.45 0.00 -0.34 0.00 0.00 178.44 179.55 1lsd h ALA 9 N 0.72 1.30 -0.40 1.25 0.00 -1.16 0.42 119.26 121.39 1lsd h ALA 9 Ca 0.05 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1lsd h ALA 9 Cb 0.81 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1lsd h ALA 9 CO 0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 179.25 179.05 1lsd h ALA 10 N 1.56 0.56 -0.64 0.00 0.00 -1.20 -1.28 119.26 118.26 1lsd h ALA 10 Ca 0.47 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1lsd h ALA 10 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1lsd h ALA 10 CO -0.37 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.52 1lsd h ALA 11 N 0.82 1.00 -0.68 0.00 0.00 -0.70 -1.19 119.26 118.52 1lsd h ALA 11 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1lsd h ALA 11 Cb 0.73 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1lsd h ALA 11 CO 0.06 0.64 0.11 0.52 0.00 0.00 0.00 179.25 180.57 1lsd h MET 12 N 0.98 1.12 0.01 0.00 2.86 -0.84 -2.40 114.93 116.66 1lsd h MET 12 Ca 0.20 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1lsd h MET 12 Cb 0.39 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1lsd h MET 12 CO 0.01 1.02 -0.00 -0.22 1.06 0.00 0.00 176.91 178.78 1lsd h LYS 13 N 1.04 -0.01 -0.08 1.72 3.64 -1.04 -2.10 116.57 119.75 1lsd h LYS 13 Ca 0.21 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1lsd h LYS 13 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1lsd h LYS 13 CO 0.01 0.05 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.15 1lsd h ARG 14 N -0.07 0.11 -0.77 1.90 2.43 -1.13 -0.65 114.38 116.21 1lsd h ARG 14 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1lsd h ARG 14 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1lsd h ARG 14 CO 0.00 0.13 0.00 0.72 -1.51 0.00 0.00 179.97 179.31 1lsd n HIS 15 N -4.46 0.80 -1.05 2.20 8.25 -0.91 -4.93 115.22 115.10 1lsd n HIS 15 Ca -0.02 -0.28 -0.02 0.00 -0.26 0.00 0.00 57.72 57.14 1lsd n HIS 15 Cb 0.13 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 1lsd n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lsd n GLY 16 N 0.34 0.54 0.14 -1.41 0.00 -0.25 -4.96 105.19 99.60 1lsd n GLY 16 Ca 0.11 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.61 1lsd n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1lsd h LEU 17 N 0.00 0.00 -9.34 0.99 5.85 -1.55 -3.39 115.31 107.87 1lsd h LEU 17 Ca -0.04 -0.03 -0.54 0.00 0.84 0.00 0.00 57.88 58.11 1lsd h LEU 17 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1lsd h LEU 17 CO 0.06 0.02 1.07 -0.62 -0.34 0.00 0.00 178.44 178.63 1lsd s ASP 18 N -5.41 6.62 -0.70 1.25 2.15 -1.26 -2.07 116.67 117.25 1lsd s ASP 18 Ca 0.04 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.39 1lsd s ASP 18 Cb 0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1lsd s ASP 18 CO 0.72 -0.93 0.00 0.59 -0.17 0.00 0.00 175.17 175.38 1lsd n ASN 19 N 6.67 -5.28 -4.68 -0.34 3.02 0.47 -4.85 115.26 110.27 1lsd n ASN 19 Ca 0.17 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 1lsd n ASN 19 Cb 0.42 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 1lsd n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1lsd s TYR 20 N -1.75 2.37 -1.48 3.10 5.04 -0.88 -1.01 117.35 122.74 1lsd s TYR 20 Ca 0.00 0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.94 1lsd s TYR 20 Cb 0.00 -3.91 0.02 0.00 0.35 0.00 0.00 41.96 38.42 1lsd s TYR 20 CO 0.00 -3.65 0.43 -2.13 -1.34 0.00 0.00 175.55 168.86 1lsd n ARG 21 N 5.96 -3.85 -0.80 4.97 0.00 -1.26 -1.73 116.66 119.95 1lsd n ARG 21 Ca 0.16 0.80 0.00 0.00 -0.00 0.00 0.00 57.85 58.80 1lsd n ARG 21 Cb 0.42 -5.57 0.00 0.00 0.00 0.00 0.00 32.46 27.30 1lsd n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1lsd n GLY 22 N -1.30 0.88 3.51 5.14 0.00 -0.18 -5.03 105.19 108.20 1lsd n GLY 22 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1lsd n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lsd s TYR 23 N -3.47 3.20 0.68 1.61 1.51 -0.70 -4.87 117.35 115.30 1lsd s TYR 23 Ca 0.00 -0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 55.65 1lsd s TYR 23 Cb 0.00 -2.74 -0.00 0.00 -0.11 0.00 0.00 41.96 39.11 1lsd s TYR 23 CO 0.00 -0.55 1.18 -1.13 -1.11 0.00 0.00 175.55 173.94 1lsd n SER 24 N 5.43 1.47 -4.67 2.29 3.41 -1.26 -0.40 113.62 119.89 1lsd n SER 24 Ca -0.09 0.76 -0.40 0.00 -0.26 0.00 0.00 58.87 58.89 1lsd n SER 24 Cb 0.48 -1.50 0.03 0.00 -0.26 0.00 0.00 64.21 62.96 1lsd n SER 24 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1lsd n LEU 25 N -1.89 3.88 0.00 1.04 7.94 -1.26 -1.34 117.00 125.37 1lsd n LEU 25 Ca 0.15 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1lsd n LEU 25 Cb 0.48 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1lsd n LEU 25 CO 0.48 -1.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 1lsd n GLY 26 N 1.00 3.06 0.17 -3.96 0.00 -1.26 -4.65 105.19 99.55 1lsd n GLY 26 Ca 0.10 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1lsd n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1lsd h ASN 27 N 0.10 0.45 -0.41 1.61 2.35 -1.42 -0.02 115.58 118.24 1lsd h ASN 27 Ca 0.00 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.50 1lsd h ASN 27 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1lsd h ASN 27 CO 0.00 0.44 -0.27 -0.50 -1.65 0.00 0.00 177.43 175.45 1lsd h TRP 28 N 0.43 1.06 -0.44 1.19 4.06 -1.82 -0.88 115.95 119.54 1lsd h TRP 28 Ca 0.12 -0.28 -0.13 0.00 2.06 0.00 0.00 58.89 60.66 1lsd h TRP 28 Cb 0.11 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1lsd h TRP 28 CO -0.02 1.09 -0.23 0.28 -3.56 0.00 0.00 178.44 176.00 1lsd h VAL 29 N 0.72 1.27 -0.51 1.49 2.07 -1.87 -1.85 116.25 117.58 1lsd h VAL 29 Ca 0.08 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1lsd h VAL 29 Cb 0.85 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1lsd h VAL 29 CO 0.07 0.47 0.34 0.00 0.02 0.00 0.00 177.57 178.47 1lsd h ALA 31 N 1.19 0.36 -0.85 0.00 0.00 -0.97 -2.29 119.26 116.70 1lsd h ALA 31 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1lsd h ALA 31 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1lsd h ALA 31 CO -0.04 -0.12 0.51 0.00 0.00 0.00 0.00 179.25 179.59 1lsd h ALA 32 N 1.04 1.08 0.03 0.00 0.00 -1.20 0.10 119.26 120.31 1lsd h ALA 32 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1lsd h ALA 32 Cb 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1lsd h ALA 32 CO -0.02 0.55 -0.28 -0.22 0.00 0.00 0.00 179.25 179.29 1lsd h LYS 33 N 1.17 -0.43 0.00 0.00 1.63 -1.00 -1.46 116.57 116.48 1lsd h LYS 33 Ca 0.30 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.07 1lsd h LYS 33 Cb -0.04 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1lsd h LYS 33 CO -0.06 -0.28 -0.47 0.74 -3.45 0.00 0.00 179.45 175.93 1lsd h PHE 34 N -0.44 0.00 -0.01 1.91 0.04 -1.21 0.23 116.94 117.46 1lsd h PHE 34 Ca 0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1lsd h PHE 34 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1lsd h PHE 34 CO -0.29 0.27 -0.17 0.93 -0.60 0.00 0.00 178.31 178.45 1lsd h GLU 35 N 0.00 0.13 0.00 1.51 4.39 -0.72 -3.42 114.58 116.48 1lsd h GLU 35 Ca -0.02 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1lsd h GLU 35 Cb 1.22 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1lsd h GLU 35 CO 0.03 0.85 0.00 -1.13 -1.16 0.00 0.00 179.01 177.60 1lsd n SER 36 N -4.58 0.30 -3.74 1.42 3.41 -0.57 -4.87 113.62 104.98 1lsd n SER 36 Ca -0.09 -0.63 -0.25 0.00 -0.26 0.00 0.00 58.87 57.63 1lsd n SER 36 Cb 0.45 0.36 0.05 0.00 -0.26 0.00 0.00 64.21 64.81 1lsd n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lsd n ASN 37 N -0.36 -3.85 -1.68 4.04 4.05 0.07 -2.20 115.26 115.33 1lsd n ASN 37 Ca 0.00 -0.72 -0.18 0.00 0.45 0.00 0.00 54.58 54.12 1lsd n ASN 37 Cb 0.04 -4.30 -0.07 0.00 1.23 0.00 0.00 39.78 36.69 1lsd n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1lsd n PHE 38 N -4.59 -0.32 -3.50 1.20 3.72 -1.16 -4.84 117.46 107.97 1lsd n PHE 38 Ca -0.09 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.91 1lsd n PHE 38 Cb 0.59 -3.22 -0.10 0.00 -0.94 0.00 0.00 39.48 35.80 1lsd n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lsd s ASN 39 N -2.44 6.09 0.54 4.37 2.47 -0.94 -1.03 114.94 124.00 1lsd s ASN 39 Ca 0.00 -0.30 0.28 0.00 0.42 0.00 0.00 52.86 53.26 1lsd s ASN 39 Cb 0.00 -2.15 1.53 0.00 -1.45 0.00 0.00 41.25 39.18 1lsd s ASN 39 CO 0.00 -0.23 2.11 0.71 -3.72 0.00 0.00 177.10 175.97 1lsd h THR 40 N 5.48 0.57 -0.31 -5.21 1.35 -1.23 -2.78 112.91 110.77 1lsd h THR 40 Ca -0.31 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1lsd h THR 40 Cb 1.16 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1lsd h THR 40 CO 0.64 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 1lsd n GLN 41 N -3.70 1.83 -2.23 4.72 6.02 -1.26 -3.90 117.38 118.85 1lsd n GLN 41 Ca -0.02 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.00 55.28 1lsd n GLN 41 Cb 0.20 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 1lsd n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lsd s ALA 42 N -1.58 3.53 0.04 -1.58 0.00 -1.05 -4.80 121.76 116.32 1lsd s ALA 42 Ca 0.27 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.36 1lsd s ALA 42 Cb 0.14 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1lsd s ALA 42 CO 0.20 -0.55 -0.17 0.95 0.00 0.00 0.00 175.76 176.18 1lsd s THR 43 N 0.72 1.37 -0.08 0.00 -4.23 -1.26 -0.61 115.64 111.56 1lsd s THR 43 Ca 0.61 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1lsd s THR 43 Cb -0.35 -1.21 0.04 0.00 1.34 0.00 0.00 72.50 72.32 1lsd s THR 43 CO 0.33 0.13 0.15 0.20 -0.54 0.00 0.00 174.62 174.89 1lsd s ASN 44 N -1.07 0.67 0.10 3.99 0.01 -0.60 -4.97 114.94 113.08 1lsd s ASN 44 Ca 0.05 0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 52.20 1lsd s ASN 44 Cb -0.08 0.22 -0.06 0.00 0.41 0.00 0.00 41.25 41.74 1lsd s ASN 44 CO 0.01 -0.23 1.04 -0.60 -1.51 0.00 0.00 177.10 175.81 1lsd s ARG 45 N 2.13 4.60 0.50 -0.60 6.06 -1.26 -0.37 118.95 130.01 1lsd s ARG 45 Ca 0.02 1.56 -0.02 0.00 -2.50 0.00 0.00 55.73 54.79 1lsd s ARG 45 Cb -0.12 -3.37 -0.00 0.00 0.06 0.00 0.00 34.95 31.52 1lsd s ARG 45 CO -0.05 0.05 0.75 -0.80 -2.50 0.00 0.00 175.30 172.74 1lsd s ASN 46 N 0.35 5.77 0.27 -2.12 0.02 0.84 -4.96 114.94 115.11 1lsd s ASN 46 Ca 0.50 0.44 -0.05 0.00 -1.02 0.00 0.00 52.86 52.74 1lsd s ASN 46 Cb -0.25 -1.61 0.32 0.00 0.02 0.00 0.00 41.25 39.73 1lsd s ASN 46 CO 0.31 -0.81 1.93 0.71 0.02 0.00 0.00 177.10 179.26 1lsd h THR 47 N 0.21 1.24 0.00 1.60 1.35 -1.98 -1.77 112.91 113.56 1lsd h THR 47 Ca -0.46 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1lsd h THR 47 Cb 1.25 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1lsd h THR 47 CO 0.58 0.24 0.00 -0.90 -0.25 0.00 0.00 175.52 175.20 1lsd n ASP 48 N -4.38 0.00 0.00 5.36 5.68 -1.26 -4.82 116.55 117.13 1lsd n ASP 48 Ca 0.11 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 1lsd n ASP 48 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1lsd n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lsd n GLY 49 N -0.02 2.02 3.83 6.12 0.00 -0.67 -5.02 105.19 111.45 1lsd n GLY 49 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1lsd n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lsd s SER 50 N -2.14 3.89 -0.00 1.61 1.04 -1.26 -4.79 113.70 112.05 1lsd s SER 50 Ca 0.00 0.91 0.02 0.00 0.48 0.00 0.00 55.95 57.35 1lsd s SER 50 Cb 0.00 -1.46 -0.00 0.00 0.10 0.00 0.00 66.02 64.66 1lsd s SER 50 CO 0.00 -2.31 -0.05 -0.89 0.98 0.00 0.00 173.24 170.97 1lsd s THR 51 N -3.38 0.39 -0.08 2.02 2.01 -1.26 -0.12 115.64 115.21 1lsd s THR 51 Ca 0.63 -0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.28 1lsd s THR 51 Cb -0.13 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 1lsd s THR 51 CO 0.52 0.08 0.24 -1.81 -0.69 0.00 0.00 174.62 172.96 1lsd s ASP 52 N -0.18 6.53 -0.05 3.53 1.01 0.51 -1.49 116.67 126.53 1lsd s ASP 52 Ca 0.01 0.63 0.04 0.00 0.71 0.00 0.00 52.55 53.94 1lsd s ASP 52 Cb -0.02 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 1lsd s ASP 52 CO -0.00 0.35 -0.17 -0.31 0.21 0.00 0.00 175.17 175.25 1lsd s TYR 53 N -0.90 1.75 0.00 4.23 1.51 -0.48 -1.55 117.35 121.91 1lsd s TYR 53 Ca 0.18 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1lsd s TYR 53 Cb -0.14 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 1lsd s TYR 53 CO 0.07 -0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.71 1lsd n GLY 54 N 3.28 -2.26 0.40 0.71 0.00 0.22 -1.57 105.19 105.96 1lsd n GLY 54 Ca -0.19 -1.57 0.20 0.00 0.00 0.00 0.00 46.02 44.46 1lsd n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lsd h ILE 55 N 0.00 0.61 -0.33 -0.61 6.09 -1.67 -1.12 117.51 120.48 1lsd h ILE 55 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1lsd h ILE 55 Cb 0.00 0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.40 1lsd h ILE 55 CO 0.00 0.08 0.00 0.18 -3.07 0.00 0.00 178.15 175.34 1lsd n LEU 56 N -4.60 3.56 -4.00 2.19 4.77 -1.26 -4.02 117.00 113.63 1lsd n LEU 56 Ca 0.23 -2.54 -0.33 0.00 -0.03 0.00 0.00 56.01 53.34 1lsd n LEU 56 Cb 0.77 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1lsd n LEU 56 CO 0.27 0.71 -0.23 0.00 -1.33 0.00 0.00 177.39 176.80 1lsd n GLN 57 N 0.05 -1.64 -2.60 3.23 1.13 -0.42 -4.89 117.38 112.23 1lsd n GLN 57 Ca 0.17 0.27 -0.42 0.00 -1.94 0.00 0.00 57.00 55.09 1lsd n GLN 57 Cb 0.70 -3.78 -0.03 0.00 0.11 0.00 0.00 30.24 27.23 1lsd n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lsd s ILE 58 N -3.84 4.52 0.19 5.09 1.01 -0.61 -4.30 121.20 123.25 1lsd s ILE 58 Ca 0.22 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.40 1lsd s ILE 58 Cb -0.10 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 1lsd s ILE 58 CO 0.92 0.15 1.01 0.21 0.00 0.00 0.00 174.94 177.24 1lsd s ASN 59 N 0.95 7.45 0.07 3.58 3.84 -1.26 -1.38 114.94 128.19 1lsd s ASN 59 Ca 0.54 1.98 0.26 0.00 0.21 0.00 0.00 52.86 55.85 1lsd s ASN 59 Cb -0.24 -2.60 1.05 0.00 -0.55 0.00 0.00 41.25 38.90 1lsd s ASN 59 CO 0.29 -0.05 1.83 -1.54 -2.79 0.00 0.00 177.10 174.83 1lsd n SER 60 N 2.12 0.24 -0.09 -4.21 3.41 -0.55 -1.56 113.62 112.98 1lsd n SER 60 Ca 0.01 0.53 -0.11 0.00 -0.26 0.00 0.00 58.87 59.04 1lsd n SER 60 Cb 0.47 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1lsd n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lsd h ARG 61 N 0.00 0.82 0.00 4.33 2.43 -1.84 -3.40 114.38 116.72 1lsd h ARG 61 Ca 0.00 -0.42 -0.13 0.00 -0.81 0.00 0.00 59.98 58.62 1lsd h ARG 61 Cb 0.52 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1lsd h ARG 61 CO 0.00 1.05 -1.58 0.91 -1.51 0.00 0.00 179.97 178.85 1lsd n TRP 62 N -4.05 0.00 -0.01 2.20 7.02 -1.22 -0.47 117.44 120.91 1lsd n TRP 62 Ca -0.02 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.48 1lsd n TRP 62 Cb 0.53 -0.40 -0.04 0.00 -2.42 0.00 0.00 31.31 28.98 1lsd n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lsd n TRP 63 N -2.25 0.00 -4.10 -5.99 7.02 -0.60 -0.80 117.44 110.73 1lsd n TRP 63 Ca -0.12 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.28 1lsd n TRP 63 Cb 0.70 -0.15 -0.10 0.00 -2.42 0.00 0.00 31.31 29.34 1lsd n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lsd s ASN 65 N -2.92 6.12 0.00 0.00 2.47 -0.21 -4.25 114.94 116.15 1lsd s ASN 65 Ca 0.07 0.03 0.12 0.00 0.42 0.00 0.00 52.86 53.50 1lsd s ASN 65 Cb 0.08 -2.16 0.31 0.00 -1.45 0.00 0.00 41.25 38.02 1lsd s ASN 65 CO -0.09 -0.15 1.23 -0.90 -3.72 0.00 0.00 177.10 173.47 1lsd n ASP 66 N 5.20 2.90 0.00 -4.21 5.68 -1.26 -0.54 116.55 124.31 1lsd n ASP 66 Ca -0.11 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 1lsd n ASP 66 Cb 0.51 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1lsd n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lsd n GLY 67 N 0.61 0.55 0.56 6.12 0.00 -1.26 -4.78 105.19 107.00 1lsd n GLY 67 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1lsd n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lsd n ARG 68 N -2.00 0.55 -3.85 1.61 1.85 -1.26 -4.95 116.66 108.61 1lsd n ARG 68 Ca 0.00 -1.90 -0.32 0.00 -1.00 0.00 0.00 57.85 54.64 1lsd n ARG 68 Cb 0.00 -0.83 -0.12 0.00 -1.05 0.00 0.00 32.46 30.46 1lsd n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lsd s THR 69 N -1.20 3.13 -0.27 8.89 2.01 -1.26 -4.90 115.64 122.04 1lsd s THR 69 Ca 0.20 -3.56 -0.39 0.00 0.31 0.00 0.00 61.69 58.24 1lsd s THR 69 Cb 0.19 -3.08 -0.15 0.00 0.01 0.00 0.00 72.50 69.48 1lsd s THR 69 CO -0.03 -0.91 1.80 -2.65 -0.69 0.00 0.00 174.62 172.14 1lsd n PRO 70 N 2.80 1.22 0.00 4.92 -0.02 -1.26 -1.83 135.00 140.83 1lsd n PRO 70 Ca 0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1lsd n PRO 70 Cb 0.35 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1lsd n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lsd n GLY 71 N 4.43 0.84 3.50 -1.23 0.00 -1.26 -5.07 105.19 106.40 1lsd n GLY 71 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1lsd n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lsd n SER 72 N 0.00 -0.72 -0.00 1.61 2.88 -0.76 -5.02 113.62 111.61 1lsd n SER 72 Ca 0.00 0.68 0.09 0.00 -1.33 0.00 0.00 58.87 58.31 1lsd n SER 72 Cb 0.00 -1.24 -0.12 0.00 -0.75 0.00 0.00 64.21 62.10 1lsd n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1lsd n ARG 73 N -0.64 0.69 -4.12 -1.46 1.74 0.38 -5.00 116.66 108.25 1lsd n ARG 73 Ca 0.11 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.88 1lsd n ARG 73 Cb 0.49 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.43 1lsd n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lsd n ASN 74 N -1.58 0.68 0.26 0.55 5.15 -1.05 -4.87 115.26 114.39 1lsd n ASN 74 Ca 0.02 -1.14 0.13 0.00 -0.60 0.00 0.00 54.58 52.99 1lsd n ASN 74 Cb 0.34 -1.41 0.68 0.00 -0.53 0.00 0.00 39.78 38.85 1lsd n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lsd h LEU 75 N -1.43 0.00 -0.55 1.20 3.38 -0.99 -1.74 115.31 115.17 1lsd h LEU 75 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1lsd h LEU 75 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1lsd h LEU 75 CO 0.64 0.13 -0.00 0.00 0.09 0.00 0.00 178.44 179.31 1lsd n ASN 77 N -0.33 -3.31 -3.70 0.00 3.02 -0.66 -4.99 115.26 105.30 1lsd n ASN 77 Ca 0.21 -0.59 -0.14 0.00 -0.03 0.00 0.00 54.58 54.03 1lsd n ASN 77 Cb 0.25 -5.04 -0.09 0.00 -0.61 0.00 0.00 39.78 34.29 1lsd n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1lsd s ILE 78 N -3.34 0.01 0.36 2.41 2.07 -1.26 -5.06 121.20 116.38 1lsd s ILE 78 Ca 0.17 -0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 59.06 1lsd s ILE 78 Cb -0.08 -0.70 -0.11 0.00 0.13 0.00 0.00 42.46 41.70 1lsd s ILE 78 CO 0.72 -0.04 1.48 -0.81 -1.91 0.00 0.00 174.94 174.39 1lsd n PRO 79 N 2.42 2.63 0.12 3.50 -0.04 -1.26 -1.04 135.00 141.32 1lsd n PRO 79 Ca -0.15 0.92 0.18 0.00 -0.04 0.00 0.00 63.50 64.41 1lsd n PRO 79 Cb 0.57 -2.65 0.74 0.00 -0.04 0.00 0.00 33.50 32.12 1lsd n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lsd h SER 81 N 0.00 0.72 -0.23 0.00 4.64 -1.90 -1.51 113.55 115.26 1lsd h SER 81 Ca 0.15 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.52 1lsd h SER 81 Cb 0.70 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1lsd h SER 81 CO -0.00 0.52 0.26 0.00 -0.87 0.00 0.00 176.83 176.74 1lsd h ALA 82 N 1.61 1.87 0.00 5.18 0.00 -1.73 -0.34 119.26 125.85 1lsd h ALA 82 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1lsd h ALA 82 Cb -0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1lsd h ALA 82 CO -0.05 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1lsd n LEU 83 N -3.75 0.00 -0.70 0.00 4.32 -0.57 -3.33 117.00 112.97 1lsd n LEU 83 Ca 0.03 0.29 0.11 0.00 -0.02 0.00 0.00 56.01 56.42 1lsd n LEU 83 Cb 0.40 -0.29 0.04 0.00 -1.62 0.00 0.00 43.42 41.95 1lsd n LEU 83 CO 0.27 -0.07 0.45 0.18 -1.22 0.00 0.00 177.39 177.00 1lsd n LEU 84 N -1.29 2.45 -4.75 2.23 4.77 -0.14 -4.01 117.00 116.27 1lsd n LEU 84 Ca 0.11 -0.87 -0.36 0.00 -0.03 0.00 0.00 56.01 54.85 1lsd n LEU 84 Cb 0.18 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1lsd n LEU 84 CO 0.18 0.43 0.87 -0.55 -1.33 0.00 0.00 177.39 176.99 1lsd s SER 85 N -2.19 5.00 0.33 -1.43 0.15 -1.21 -4.07 113.70 110.27 1lsd s SER 85 Ca 0.22 2.50 0.26 0.00 0.70 0.00 0.00 55.95 59.64 1lsd s SER 85 Cb 0.18 -2.61 1.00 0.00 -1.71 0.00 0.00 66.02 62.89 1lsd s SER 85 CO 0.43 -1.73 1.78 0.77 1.20 0.00 0.00 173.24 175.69 1lsd h SER 86 N 0.82 0.00 -3.36 5.45 4.64 -1.93 -3.39 113.55 115.78 1lsd h SER 86 Ca -0.51 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.23 1lsd h SER 86 Cb 1.31 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.33 1lsd h SER 86 CO 0.55 0.00 0.73 -0.62 -0.87 0.00 0.00 176.83 176.62 1lsd s ASP 87 N -4.75 6.84 0.00 4.97 -1.08 -1.26 -4.94 116.67 116.45 1lsd s ASP 87 Ca 0.05 0.91 0.30 0.00 -0.52 0.00 0.00 52.55 53.29 1lsd s ASP 87 Cb 0.09 -2.51 1.73 0.00 -1.46 0.00 0.00 42.92 40.78 1lsd s ASP 87 CO 0.48 -0.83 2.12 2.30 0.52 0.00 0.00 175.17 179.76 1lsd n ILE 88 N 5.83 0.00 -0.19 4.11 -5.35 -1.26 -4.42 119.36 118.09 1lsd n ILE 88 Ca 0.10 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1lsd n ILE 88 Cb 0.47 -0.36 0.10 0.00 -1.74 0.00 0.00 39.64 38.11 1lsd n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lsd h THR 89 N 0.30 0.61 -0.18 7.28 2.02 -1.94 0.29 112.91 121.28 1lsd h THR 89 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1lsd h THR 89 Cb 0.06 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1lsd h THR 89 CO 0.00 0.04 0.11 0.00 0.37 0.00 0.00 175.52 176.04 1lsd h ALA 90 N 1.49 0.24 -0.65 6.16 0.00 -1.88 0.61 119.26 125.22 1lsd h ALA 90 Ca 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1lsd h ALA 90 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1lsd h ALA 90 CO -0.43 -0.26 0.28 0.77 0.00 0.00 0.00 179.25 179.61 1lsd h SER 91 N 0.23 0.89 0.02 0.00 0.02 -1.67 -1.72 113.55 111.31 1lsd h SER 91 Ca 0.07 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1lsd h SER 91 Cb 0.01 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1lsd h SER 91 CO -0.01 0.80 -0.01 0.58 -1.14 0.00 0.00 176.83 177.05 1lsd h VAL 92 N 0.92 1.06 -0.94 2.27 2.07 -0.81 -0.57 116.25 120.24 1lsd h VAL 92 Ca 0.22 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1lsd h VAL 92 Cb 0.18 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1lsd h VAL 92 CO -0.02 0.06 0.62 0.78 0.02 0.00 0.00 177.57 179.02 1lsd h ASN 93 N -0.12 1.04 -0.41 0.57 2.35 -0.76 -1.66 115.58 116.59 1lsd h ASN 93 Ca -0.00 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1lsd h ASN 93 Cb 0.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1lsd h ASN 93 CO 0.00 0.72 -0.24 0.00 -1.65 0.00 0.00 177.43 176.27 1lsd h ALA 95 N 0.81 1.46 -0.90 0.00 0.00 -0.84 -1.69 119.26 118.11 1lsd h ALA 95 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1lsd h ALA 95 Cb 0.81 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1lsd h ALA 95 CO 0.07 0.44 0.60 0.87 0.00 0.00 0.00 179.25 181.22 1lsd h LYS 96 N 1.08 1.13 -0.24 0.00 1.57 -1.25 -0.48 116.57 118.38 1lsd h LYS 96 Ca 0.36 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1lsd h LYS 96 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1lsd h LYS 96 CO -0.12 0.75 0.07 0.87 -0.57 0.00 0.00 179.45 180.45 1lsd h LYS 97 N 1.16 0.38 0.41 3.15 6.56 -1.26 -2.85 116.57 124.12 1lsd h LYS 97 Ca 0.35 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.84 1lsd h LYS 97 Cb -0.03 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1lsd h LYS 97 CO -0.10 0.46 -0.20 0.82 -2.06 0.00 0.00 179.45 178.38 1lsd h ILE 98 N 0.22 0.60 -0.01 1.86 2.04 -0.99 -2.60 117.51 118.64 1lsd h ILE 98 Ca 0.08 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1lsd h ILE 98 Cb 0.24 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1lsd h ILE 98 CO -0.00 0.00 0.02 -0.37 0.00 0.00 0.00 178.15 177.80 1lsd h VAL 99 N -0.55 0.39 0.00 1.67 -1.51 -1.17 -2.39 116.25 112.69 1lsd h VAL 99 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1lsd h VAL 99 Cb 0.42 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1lsd h VAL 99 CO 0.09 0.00 0.00 0.28 -1.23 0.00 0.00 177.57 176.71 1lsd h SER 100 N 0.00 0.00 -4.04 4.19 0.02 -1.22 -3.25 113.55 109.24 1lsd h SER 100 Ca 0.01 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1lsd h SER 100 Cb 0.04 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.71 1lsd h SER 100 CO -0.00 0.00 0.59 -1.81 -1.14 0.00 0.00 176.83 174.47 1lsd s ASP 101 N -5.27 5.38 0.02 3.07 1.11 -0.90 -4.87 116.67 115.21 1lsd s ASP 101 Ca 0.09 2.70 0.00 0.00 0.18 0.00 0.00 52.55 55.52 1lsd s ASP 101 Cb 0.09 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1lsd s ASP 101 CO 0.62 -1.49 0.66 0.61 1.18 0.00 0.00 175.17 176.76 1lsd n GLY 102 N 0.69 -0.16 0.05 0.21 0.00 -1.26 -2.55 105.19 102.17 1lsd n GLY 102 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1lsd n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lsd n ASN 103 N -1.19 0.48 0.00 1.61 4.13 -1.26 -5.08 115.26 113.95 1lsd n ASN 103 Ca -0.00 -0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.01 1lsd n ASN 103 Cb 0.38 0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 1lsd n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lsd n GLY 104 N 1.44 2.92 0.07 7.41 0.00 -1.06 -3.08 105.19 112.89 1lsd n GLY 104 Ca 0.08 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.91 1lsd n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lsd n MET 105 N 14.00 0.81 0.25 1.61 2.81 -1.26 -3.48 117.12 131.86 1lsd n MET 105 Ca 0.00 -0.14 0.17 0.00 -1.81 0.00 0.00 57.70 55.92 1lsd n MET 105 Cb 0.00 -1.50 0.89 0.00 -0.71 0.00 0.00 33.22 31.91 1lsd n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1lsd h ASN 106 N 0.35 0.00 -0.42 7.83 4.21 -1.95 -2.30 115.58 123.28 1lsd h ASN 106 Ca 0.00 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.63 1lsd h ASN 106 Cb 0.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 1lsd h ASN 106 CO 0.00 0.00 0.35 0.00 -1.29 0.00 0.00 177.43 176.49 1lsd h ALA 107 N 2.01 2.27 -2.41 -0.83 0.00 -1.76 -3.38 119.26 115.18 1lsd h ALA 107 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 1lsd h ALA 107 Cb 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.68 1lsd h ALA 107 CO 0.00 -0.57 -0.22 -1.58 0.00 0.00 0.00 179.25 176.89 1lsd s TRP 108 N -4.86 3.18 0.34 0.00 0.51 -0.87 -4.96 118.94 112.28 1lsd s TRP 108 Ca -0.05 -0.32 0.05 0.00 -2.12 0.00 0.00 56.10 53.66 1lsd s TRP 108 Cb 0.18 -2.86 0.62 0.00 -0.81 0.00 0.00 33.47 30.60 1lsd s TRP 108 CO 0.66 -0.66 1.86 0.28 -0.51 0.00 0.00 176.95 178.58 1lsd h VAL 109 N 5.70 1.20 -0.16 4.03 2.07 -1.85 -1.89 116.25 125.35 1lsd h VAL 109 Ca -0.27 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 1lsd h VAL 109 Cb 1.12 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1lsd h VAL 109 CO 0.78 0.28 -0.44 0.00 0.02 0.00 0.00 177.57 178.21 1lsd h ALA 110 N 1.51 0.95 -0.47 1.67 0.00 -1.93 0.03 119.26 121.02 1lsd h ALA 110 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1lsd h ALA 110 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1lsd h ALA 110 CO 0.02 0.64 0.13 2.35 0.00 0.00 0.00 179.25 182.38 1lsd h TRP 111 N 0.31 0.77 -0.42 0.00 7.01 -1.72 -0.35 115.95 121.54 1lsd h TRP 111 Ca 0.02 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1lsd h TRP 111 Cb 0.91 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1lsd h TRP 111 CO 0.03 0.69 0.27 -0.09 -2.79 0.00 0.00 178.44 176.55 1lsd h ARG 112 N 0.63 0.57 0.00 2.65 2.43 -0.98 0.34 114.38 120.01 1lsd h ARG 112 Ca 0.15 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1lsd h ARG 112 Cb 0.30 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1lsd h ARG 112 CO -0.00 0.40 -0.86 -0.91 -1.51 0.00 0.00 179.97 177.09 1lsd h ASN 113 N 0.57 0.00 0.00 -3.80 -0.26 -0.98 -3.39 115.58 107.72 1lsd h ASN 113 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1lsd h ASN 113 Cb -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1lsd h ASN 113 CO -0.03 0.44 0.00 -2.11 -1.06 0.00 0.00 177.43 174.67 1lsd n ARG 114 N -3.04 0.07 -0.05 0.81 1.85 -0.15 -4.89 116.66 111.26 1lsd n ARG 114 Ca -0.02 -0.17 -0.09 0.00 -1.00 0.00 0.00 57.85 56.56 1lsd n ARG 114 Cb 0.74 -0.63 -0.05 0.00 -1.05 0.00 0.00 32.46 31.48 1lsd n ARG 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1lsd n LYS 116 N -3.08 1.33 -1.04 0.00 4.81 0.10 -1.38 118.16 118.90 1lsd n LYS 116 Ca -0.20 0.48 -0.01 0.00 -0.87 0.00 0.00 58.31 57.71 1lsd n LYS 116 Cb 0.68 -2.17 -0.01 0.00 0.02 0.00 0.00 35.03 33.56 1lsd n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lsd n GLY 117 N 3.34 0.41 3.95 3.14 0.00 -1.26 -4.96 105.19 109.81 1lsd n GLY 117 Ca 0.21 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1lsd n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lsd s THR 118 N -1.68 3.87 -1.11 2.61 -4.23 -0.48 -5.01 115.64 109.61 1lsd s THR 118 Ca 0.00 -1.10 -0.23 0.00 -1.18 0.00 0.00 61.69 59.18 1lsd s THR 118 Cb 0.00 -3.33 -0.08 0.00 1.34 0.00 0.00 72.50 70.43 1lsd s THR 118 CO 0.00 -0.15 1.95 -0.62 -0.54 0.00 0.00 174.62 175.26 1lsd s ASP 119 N -4.14 4.99 0.08 3.99 2.15 -1.26 -4.76 116.67 117.72 1lsd s ASP 119 Ca 0.44 -1.38 0.20 0.00 0.43 0.00 0.00 52.55 52.24 1lsd s ASP 119 Cb -0.08 -2.58 0.82 0.00 -0.30 0.00 0.00 42.92 40.77 1lsd s ASP 119 CO 0.30 -3.06 1.62 1.33 -0.17 0.00 0.00 175.17 175.19 1lsd n VAL 120 N 7.87 0.77 0.15 1.11 0.24 -1.26 -1.87 118.33 125.34 1lsd n VAL 120 Ca 0.44 0.17 0.11 0.00 -2.04 0.00 0.00 64.34 63.01 1lsd n VAL 120 Cb 0.47 -0.93 0.62 0.00 -1.47 0.00 0.00 33.84 32.53 1lsd n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1lsd h GLN 121 N 0.00 0.07 -0.09 7.34 7.50 -1.87 -2.86 115.11 125.20 1lsd h GLN 121 Ca 0.00 -0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.17 1lsd h GLN 121 Cb 0.35 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.86 1lsd h GLN 121 CO 0.00 0.05 0.07 0.00 -1.50 0.00 0.00 178.83 177.45 1lsd h ALA 122 N 1.89 1.97 0.00 3.87 0.00 -1.77 -2.34 119.26 122.88 1lsd h ALA 122 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lsd h ALA 122 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1lsd h ALA 122 CO -0.01 -0.12 0.00 -1.49 0.00 0.00 0.00 179.25 177.63 1lsd h TRP 123 N 0.00 0.00 -0.25 0.00 4.06 -1.74 -2.86 115.95 115.16 1lsd h TRP 123 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1lsd h TRP 123 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1lsd h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1lsd n ILE 124 N -3.06 1.10 -0.14 1.49 -5.35 -0.89 -4.78 119.36 107.71 1lsd n ILE 124 Ca 0.01 -1.08 -0.04 0.00 -0.27 0.00 0.00 62.75 61.37 1lsd n ILE 124 Cb 0.30 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1lsd n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1lsd n ARG 125 N 0.17 -0.15 -0.88 6.28 0.63 -1.08 -2.87 116.66 118.76 1lsd n ARG 125 Ca 0.09 1.08 0.04 0.00 -0.92 0.00 0.00 57.85 58.14 1lsd n ARG 125 Cb 0.42 -1.60 0.36 0.00 0.45 0.00 0.00 32.46 32.09 1lsd n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1lsd n GLY 126 N -1.09 3.03 3.77 5.14 0.00 -1.26 -4.96 105.19 109.83 1lsd n GLY 126 Ca 0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1lsd n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lsd s ARG 128 N -0.92 3.64 0.00 0.00 1.70 -1.26 -5.13 118.95 116.98 1lsd s ARG 128 Ca 0.36 0.14 0.04 0.00 -0.47 0.00 0.00 55.73 55.80 1lsd s ARG 128 Cb -0.23 -3.84 0.03 0.00 -0.57 0.00 0.00 34.95 30.34 1lsd s ARG 128 CO 0.25 -0.89 0.61 1.28 -1.08 0.00 0.00 175.30 175.48