#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lfb n ALA 1 N 0.00 -2.58 -1.37 3.17 0.00 -1.26 -4.68 120.51 113.79 2lfb n ALA 1 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.55 2lfb n ALA 1 Cb 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 2lfb n ALA 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2lfb n ARG 2 N -2.14 -2.98 -0.00 0.00 3.00 -1.26 -4.85 116.66 108.44 2lfb n ARG 2 Ca -0.08 2.23 0.02 0.00 -0.01 0.00 0.00 57.85 60.00 2lfb n ARG 2 Cb 0.56 -3.55 -0.03 0.00 0.00 0.00 0.00 32.46 29.43 2lfb n ARG 2 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2lfb n ILE 3 N -4.23 0.00 -0.03 0.55 3.06 -1.26 -4.93 119.36 112.52 2lfb n ILE 3 Ca -0.04 -0.16 -0.08 0.00 -2.50 0.00 0.00 62.75 59.97 2lfb n ILE 3 Cb 0.64 0.53 -0.02 0.00 0.54 0.00 0.00 39.64 41.33 2lfb n ILE 3 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 2lfb h ASP 4 N 0.00 -0.47 0.53 9.51 5.19 -1.97 0.38 116.42 129.59 2lfb h ASP 4 Ca 0.00 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2lfb h ASP 4 Cb 0.17 0.24 0.01 0.00 0.18 0.00 0.00 39.33 39.92 2lfb h ASP 4 CO 0.00 -0.19 -0.26 1.55 -3.12 0.00 0.00 179.24 177.23 2lfb h PRO 5 N -0.16 -0.69 -0.67 3.56 0.13 -1.92 -3.16 132.00 129.09 2lfb h PRO 5 Ca 0.11 0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.38 2lfb h PRO 5 Cb 0.32 0.16 -0.07 0.00 0.13 0.00 0.00 31.00 31.54 2lfb h PRO 5 CO -0.28 -0.46 0.32 1.79 -0.23 0.00 0.00 178.00 179.14 2lfb h THR 6 N -0.98 0.84 -6.48 1.56 1.35 -1.95 -3.47 112.91 103.78 2lfb h THR 6 Ca -0.07 -0.19 -0.39 0.00 -0.55 0.00 0.00 66.41 65.20 2lfb h THR 6 Cb 0.55 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2lfb h THR 6 CO 0.12 0.10 -0.88 2.29 -0.25 0.00 0.00 175.52 176.90 2lfb n LYS 7 N -4.89 -1.50 0.00 4.72 2.85 0.13 -4.46 118.16 115.00 2lfb n LYS 7 Ca 0.10 0.91 0.00 0.00 -1.05 0.00 0.00 58.31 58.27 2lfb n LYS 7 Cb 0.26 -2.97 0.00 0.00 -0.65 0.00 0.00 35.03 31.67 2lfb n LYS 7 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2lfb n LYS 8 N -2.45 0.00 0.00 -1.58 2.85 -1.26 -4.93 118.16 110.79 2lfb n LYS 8 Ca -0.26 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.00 2lfb n LYS 8 Cb 0.66 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.04 2lfb n LYS 8 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2lfb n GLY 9 N 0.00 -1.89 0.00 2.58 0.00 -1.26 -5.04 105.19 99.58 2lfb n GLY 9 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2lfb n GLY 9 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2lfb n ARG 10 N -2.09 0.00 -1.92 1.61 0.00 -1.26 -5.14 116.66 107.87 2lfb n ARG 10 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2lfb n ARG 10 Cb 0.00 -0.19 0.02 0.00 -0.00 0.00 0.00 32.46 32.29 2lfb n ARG 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2lfb s ARG 11 N -1.00 3.56 0.00 2.89 3.52 -1.26 -4.79 118.95 121.87 2lfb s ARG 11 Ca 0.00 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.80 2lfb s ARG 11 Cb 0.00 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 2lfb s ARG 11 CO 0.00 -0.84 0.00 -1.71 -0.81 0.00 0.00 175.30 171.94 2lfb n ASN 12 N -0.47 0.00 -0.10 -2.12 5.15 -1.26 -5.00 115.26 111.46 2lfb n ASN 12 Ca 0.07 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.85 2lfb n ASN 12 Cb 0.44 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.58 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 2lfb h ARG 13 N 0.00 0.00 -7.25 1.20 0.11 -1.88 -3.47 114.38 103.09 2lfb h ARG 13 Ca 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 2lfb h ARG 13 Cb 0.00 0.00 0.10 0.00 1.11 0.00 0.00 29.97 31.18 2lfb h ARG 13 CO 0.00 0.93 0.36 0.12 0.10 0.00 0.00 179.97 181.48 2lfb s PHE 14 N -2.34 2.79 -0.30 4.08 2.19 -1.14 -4.62 117.98 118.64 2lfb s PHE 14 Ca -0.27 1.52 -0.03 0.00 0.33 0.00 0.00 56.93 58.47 2lfb s PHE 14 Cb 0.05 -3.05 0.18 0.00 -1.31 0.00 0.00 43.02 38.89 2lfb s PHE 14 CO 0.57 -1.49 0.65 -1.59 1.83 0.00 0.00 175.22 175.18 2lfb s LYS 15 N -4.45 0.54 0.25 10.12 0.00 -1.26 -5.00 119.74 119.93 2lfb s LYS 15 Ca 0.63 1.02 -0.31 0.00 0.00 0.00 0.00 55.97 57.31 2lfb s LYS 15 Cb -0.17 0.57 -0.12 0.00 0.00 0.00 0.00 37.83 38.11 2lfb s LYS 15 CO 0.46 -0.52 1.68 0.91 0.00 0.00 0.00 175.35 177.88 2lfb n TRP 16 N 5.43 2.82 -1.43 1.78 7.02 -1.26 -4.99 117.44 126.81 2lfb n TRP 16 Ca -0.03 0.12 -0.13 0.00 -1.02 0.00 0.00 57.50 56.44 2lfb n TRP 16 Cb 0.51 -2.65 0.09 0.00 -2.42 0.00 0.00 31.31 26.84 2lfb n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2lfb n GLY 17 N 3.23 -1.26 0.05 6.99 0.00 -1.26 -4.85 105.19 108.10 2lfb n GLY 17 Ca 0.13 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 2lfb n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2lfb h PRO 18 N 0.00 -0.03 -0.10 1.61 0.13 -2.00 -2.53 132.00 129.09 2lfb h PRO 18 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2lfb h PRO 18 Cb 0.53 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2lfb h PRO 18 CO 0.14 0.15 0.05 0.00 -0.23 0.00 0.00 178.00 178.11 2lfb h ALA 19 N 0.78 0.13 -0.59 -0.56 0.00 -1.96 -1.47 119.26 115.60 2lfb h ALA 19 Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2lfb h ALA 19 Cb 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 2lfb h ALA 19 CO 0.00 -0.30 0.07 1.03 0.00 0.00 0.00 179.25 180.05 2lfb h SER 20 N 0.03 -0.12 -0.12 0.00 0.87 -1.86 0.13 113.55 112.48 2lfb h SER 20 Ca 0.03 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2lfb h SER 20 Cb 0.13 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2lfb h SER 20 CO -0.00 -0.04 0.06 1.56 -0.53 0.00 0.00 176.83 177.87 2lfb h GLN 21 N 0.19 0.17 -0.81 2.24 1.08 -1.15 -0.57 115.11 116.26 2lfb h GLN 21 Ca 0.31 -0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.68 2lfb h GLN 21 Cb 0.47 -0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 27.74 2lfb h GLN 21 CO -0.44 0.23 0.12 0.37 -0.95 0.00 0.00 178.83 178.15 2lfb h GLN 22 N 0.08 0.16 -0.37 1.46 4.15 -0.09 0.50 115.11 121.00 2lfb h GLN 22 Ca 0.04 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2lfb h GLN 22 Cb 0.11 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2lfb h GLN 22 CO -0.01 0.10 0.14 0.82 -1.93 0.00 0.00 178.83 177.96 2lfb h ILE 23 N 0.16 1.19 -0.50 2.39 2.04 -0.46 0.82 117.51 123.16 2lfb h ILE 23 Ca 0.48 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.82 2lfb h ILE 23 Cb 0.89 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 2lfb h ILE 23 CO -0.66 0.21 0.10 -0.07 0.00 0.00 0.00 178.15 177.74 2lfb h LEU 24 N 0.45 0.01 -0.94 1.44 3.38 0.65 0.12 115.31 120.42 2lfb h LEU 24 Ca 0.12 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2lfb h LEU 24 Cb 0.20 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2lfb h LEU 24 CO -0.01 0.03 0.62 -0.26 0.09 0.00 0.00 178.44 178.91 2lfb h PHE 25 N 0.24 1.18 -0.71 1.13 0.04 -0.66 -0.60 116.94 117.56 2lfb h PHE 25 Ca 0.25 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.98 2lfb h PHE 25 Cb 0.33 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2lfb h PHE 25 CO -0.23 0.73 0.16 -0.56 -0.60 0.00 0.00 178.31 177.82 2lfb h GLN 26 N 1.26 1.14 -0.38 1.51 3.07 0.60 0.42 115.11 122.72 2lfb h GLN 26 Ca 0.35 -0.28 0.04 0.00 0.09 0.00 0.00 58.65 58.86 2lfb h GLN 26 Cb -0.12 -0.15 -0.04 0.00 0.08 0.00 0.00 27.48 27.25 2lfb h GLN 26 CO -0.08 1.00 0.13 0.00 0.09 0.00 0.00 178.83 179.98 2lfb h ALA 27 N 1.08 0.45 -0.00 0.06 0.00 -0.45 -0.73 119.26 119.67 2lfb h ALA 27 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2lfb h ALA 27 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2lfb h ALA 27 CO 0.00 -0.26 0.00 -0.92 0.00 0.00 0.00 179.25 178.08 2lfb h TYR 28 N 0.29 0.00 0.08 0.00 3.20 0.15 0.58 116.97 121.27 2lfb h TYR 28 Ca 0.17 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2lfb h TYR 28 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2lfb h TYR 28 CO -0.15 0.00 -0.04 1.05 -1.64 0.00 0.00 178.16 177.39 2lfb h GLU 29 N 0.00 -0.10 -0.12 1.82 4.11 0.42 -3.10 114.58 117.61 2lfb h GLU 29 Ca 0.00 0.01 -0.22 0.00 0.07 0.00 0.00 59.36 59.22 2lfb h GLU 29 Cb 0.01 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2lfb h GLU 29 CO -0.00 0.37 -0.81 0.07 0.07 0.00 0.00 179.01 178.71 2lfb h ARG 30 N -0.63 0.72 -1.96 1.06 0.11 -0.07 -3.39 114.38 110.22 2lfb h ARG 30 Ca -0.01 -0.61 -0.46 0.00 0.10 0.00 0.00 59.98 59.00 2lfb h ARG 30 Cb 0.52 0.13 -0.32 0.00 1.11 0.00 0.00 29.97 31.42 2lfb h ARG 30 CO 0.02 1.22 -0.83 -1.14 0.10 0.00 0.00 179.97 179.33 2lfb s GLN 31 N -3.67 0.95 0.56 0.08 0.74 0.08 -5.00 119.66 113.40 2lfb s GLN 31 Ca -0.09 -1.79 0.26 0.00 0.05 0.00 0.00 55.36 53.80 2lfb s GLN 31 Cb 0.09 -1.01 1.65 0.00 1.10 0.00 0.00 33.01 34.84 2lfb s GLN 31 CO 0.90 -1.37 2.20 -0.22 -0.55 0.00 0.00 175.29 176.25 2lfb h LYS 32 N 5.48 0.00 -5.58 1.67 3.64 -1.70 -3.28 116.57 116.81 2lfb h LYS 32 Ca 0.20 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.91 2lfb h LYS 32 Cb 0.97 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.50 2lfb h LYS 32 CO 0.26 0.03 -0.83 -0.80 -2.27 0.00 0.00 179.45 175.84 2lfb s ASN 33 N -6.34 3.53 0.51 4.20 0.02 -1.26 -4.96 114.94 110.64 2lfb s ASN 33 Ca -0.05 -0.42 -0.07 0.00 -1.02 0.00 0.00 52.86 51.30 2lfb s ASN 33 Cb 0.15 -1.30 -0.04 0.00 0.02 0.00 0.00 41.25 40.08 2lfb s ASN 33 CO 0.58 0.20 0.84 -2.16 0.02 0.00 0.00 177.10 176.58 2lfb s PRO 34 N 0.12 3.57 0.00 -0.60 0.04 -1.24 -5.08 135.00 131.81 2lfb s PRO 34 Ca -0.09 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2lfb s PRO 34 Cb -0.16 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2lfb s PRO 34 CO 0.06 -0.29 0.00 0.45 0.04 0.00 0.00 177.00 177.26 2lfb n SER 35 N -2.34 0.00 0.15 6.66 2.88 -1.26 -5.09 113.62 114.61 2lfb n SER 35 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2lfb n SER 35 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2lfb n LYS 36 N 0.00 0.00 -0.22 -1.46 4.81 -1.26 -4.83 118.16 115.20 2lfb n LYS 36 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2lfb n LYS 36 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2lfb n LYS 36 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2lfb h GLU 37 N 0.00 -0.25 -0.93 1.64 5.08 -1.99 0.45 114.58 118.58 2lfb h GLU 37 Ca 0.00 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.58 2lfb h GLU 37 Cb 0.00 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.13 2lfb h GLU 37 CO 0.00 -0.17 -0.18 -1.91 -1.00 0.00 0.00 179.01 175.76 2lfb n GLU 38 N -5.23 -0.08 -0.02 2.33 0.00 -1.26 -0.58 120.64 115.80 2lfb n GLU 38 Ca -0.02 1.44 -0.16 0.00 0.00 0.00 0.00 57.16 58.42 2lfb n GLU 38 Cb 0.30 -2.18 -0.11 0.00 0.00 0.00 0.00 31.44 29.45 2lfb n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2lfb h ARG 39 N 0.00 0.25 -0.24 5.31 2.43 -0.54 0.23 114.38 121.82 2lfb h ARG 39 Ca 0.47 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 2lfb h ARG 39 Cb 0.79 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.34 2lfb h ARG 39 CO -0.94 0.97 -0.33 1.49 -1.51 0.00 0.00 179.97 179.65 2lfb h GLU 40 N -0.36 -0.33 -0.46 0.20 4.57 -0.44 -0.33 114.58 117.43 2lfb h GLU 40 Ca -0.04 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 2lfb h GLU 40 Cb 1.08 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.65 2lfb h GLU 40 CO 0.07 -0.22 -0.37 1.15 -1.18 0.00 0.00 179.01 178.46 2lfb h THR 41 N -0.34 0.17 -0.29 0.32 2.02 -0.84 -2.19 112.91 111.75 2lfb h THR 41 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 2lfb h THR 41 Cb 0.55 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2lfb h THR 41 CO -0.43 0.00 0.12 0.25 0.37 0.00 0.00 175.52 175.83 2lfb h LEU 42 N -0.26 0.14 -0.40 2.58 5.85 0.80 0.25 115.31 124.28 2lfb h LEU 42 Ca 0.17 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2lfb h LEU 42 Cb 0.56 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2lfb h LEU 42 CO -0.59 0.12 -0.04 0.58 -0.34 0.00 0.00 178.44 178.17 2lfb h VAL 43 N 0.25 0.66 0.30 1.05 2.07 -0.91 0.11 116.25 119.78 2lfb h VAL 43 Ca 0.13 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2lfb h VAL 43 Cb 0.08 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2lfb h VAL 43 CO -0.12 0.01 -0.46 -0.08 0.02 0.00 0.00 177.57 176.94 2lfb h GLU 44 N 0.07 -0.79 -0.68 1.57 4.22 -0.38 0.48 114.58 119.07 2lfb h GLU 44 Ca 0.20 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 2lfb h GLU 44 Cb 0.29 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2lfb h GLU 44 CO -0.36 -0.53 0.31 1.49 -2.18 0.00 0.00 179.01 177.74 2lfb h GLU 45 N -0.82 0.99 0.34 1.92 4.57 -0.31 0.16 114.58 121.42 2lfb h GLU 45 Ca -0.02 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2lfb h GLU 45 Cb 0.77 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2lfb h GLU 45 CO -0.16 0.80 -0.23 0.00 -1.18 0.00 0.00 179.01 178.24 2lfb h ASN 47 N -0.55 -0.86 -0.03 0.00 2.35 -0.12 0.16 115.58 116.53 2lfb h ASN 47 Ca -0.03 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2lfb h ASN 47 Cb 0.47 0.40 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 2lfb h ASN 47 CO 0.02 -0.29 0.02 -0.09 -1.65 0.00 0.00 177.43 175.43 2lfb h ARG 48 N -0.26 0.04 -0.56 0.81 2.43 -0.51 0.42 114.38 116.75 2lfb h ARG 48 Ca 0.14 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 2lfb h ARG 48 Cb 0.49 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 2lfb h ARG 48 CO -0.42 0.12 0.17 0.00 -1.51 0.00 0.00 179.97 178.32 2lfb h ALA 49 N 0.92 0.69 0.00 2.80 0.00 -0.66 0.27 119.26 123.28 2lfb h ALA 49 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2lfb h ALA 49 Cb 0.09 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2lfb h ALA 49 CO -0.00 -0.25 -0.13 1.49 0.00 0.00 0.00 179.25 180.35 2lfb h GLU 50 N 0.32 0.00 -0.06 0.00 4.57 -0.38 -1.30 114.58 117.74 2lfb h GLU 50 Ca 0.29 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.33 2lfb h GLU 50 Cb 0.38 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2lfb h GLU 50 CO -0.33 0.13 -0.50 0.00 -1.18 0.00 0.00 179.01 177.14 2lfb h ILE 52 N -0.00 1.25 -0.98 0.00 2.04 -0.02 0.25 117.51 120.04 2lfb h ILE 52 Ca -0.04 -0.84 0.33 0.00 1.00 0.00 0.00 64.86 65.31 2lfb h ILE 52 Cb 1.16 0.51 -0.16 0.00 -0.74 0.00 0.00 36.82 37.60 2lfb h ILE 52 CO 0.10 0.33 0.49 1.56 0.00 0.00 0.00 178.15 180.63 2lfb h GLN 53 N 0.98 0.22 -0.31 2.37 4.20 -1.36 0.39 115.11 121.60 2lfb h GLN 53 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2lfb h GLN 53 Cb 0.27 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2lfb h GLN 53 CO -0.01 0.14 0.00 0.54 -0.67 0.00 0.00 178.83 178.83 2lfb n ARG 54 N -5.14 2.94 -3.39 1.46 3.00 -0.48 -4.97 116.66 110.08 2lfb n ARG 54 Ca 0.31 -2.45 -0.24 0.00 -0.01 0.00 0.00 57.85 55.46 2lfb n ARG 54 Cb 1.00 -1.56 0.04 0.00 0.00 0.00 0.00 32.46 31.94 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2lfb n GLY 55 N 0.05 -0.52 3.81 -0.13 0.00 0.13 -4.98 105.19 103.53 2lfb n GLY 55 Ca 0.17 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 2lfb n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2lfb s VAL 56 N -3.21 3.85 0.23 1.61 1.01 -0.05 -4.99 120.40 118.85 2lfb s VAL 56 Ca 0.46 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 2lfb s VAL 56 Cb -0.22 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 2lfb s VAL 56 CO 0.57 -0.74 1.41 -0.44 0.00 0.00 0.00 175.10 175.90 2lfb s SER 57 N -3.52 6.72 0.13 3.32 0.01 -1.26 -4.61 113.70 114.48 2lfb s SER 57 Ca 0.60 2.59 -0.21 0.00 1.31 0.00 0.00 55.95 60.24 2lfb s SER 57 Cb -0.15 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.44 2lfb s SER 57 CO 0.52 -0.66 1.68 1.55 0.41 0.00 0.00 173.24 176.74 2lfb h PRO 58 N 5.16 -0.12 0.00 12.44 0.13 -1.95 0.96 132.00 148.62 2lfb h PRO 58 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2lfb h PRO 58 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2lfb h PRO 58 CO 0.78 -0.08 0.00 -1.13 -0.23 0.00 0.00 178.00 177.34 2lfb n SER 59 N -5.26 0.00 -1.42 1.44 3.41 -1.26 -1.22 113.62 109.30 2lfb n SER 59 Ca -0.03 -0.83 0.01 0.00 -0.26 0.00 0.00 58.87 57.77 2lfb n SER 59 Cb 0.18 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.22 2lfb n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2lfb n GLN 60 N -0.68 1.11 0.11 4.33 1.13 0.28 -4.73 117.38 118.93 2lfb n GLN 60 Ca 0.04 -2.84 0.09 0.00 -1.94 0.00 0.00 57.00 52.35 2lfb n GLN 60 Cb 0.02 -0.97 0.43 0.00 0.11 0.00 0.00 30.24 29.83 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2lfb n ALA 61 N -0.30 1.32 -0.35 -1.58 0.00 -0.36 -0.33 120.51 118.91 2lfb n ALA 61 Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 2lfb n ALA 61 Cb 0.93 -1.28 0.10 0.00 0.00 0.00 0.00 19.45 19.20 2lfb n ALA 61 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2lfb h GLN 62 N 0.00 1.25 -0.01 0.00 7.50 -1.85 -3.28 115.11 118.73 2lfb h GLN 62 Ca 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.06 2lfb h GLN 62 Cb 0.16 -0.27 -0.00 0.00 0.05 0.00 0.00 27.48 27.41 2lfb h GLN 62 CO 0.00 0.85 0.07 0.78 -1.50 0.00 0.00 178.83 179.04 2lfb h GLY 63 N 1.28 0.00 -0.96 3.46 0.00 -1.05 -2.60 103.07 103.21 2lfb h GLY 63 Ca 0.34 0.00 0.33 0.00 0.00 0.00 0.00 47.33 48.00 2lfb h GLY 63 CO -0.07 0.00 0.26 1.41 0.00 0.00 0.00 176.54 178.14 2lfb h LEU 64 N 0.00 -0.12 0.00 3.11 4.07 -1.71 -3.44 115.31 117.22 2lfb h LEU 64 Ca 0.00 0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2lfb h LEU 64 Cb 0.15 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2lfb h LEU 64 CO -0.00 -0.38 0.00 0.61 -1.08 0.00 0.00 178.44 177.59 2lfb n GLY 65 N -1.39 0.22 0.22 0.83 0.00 -0.98 -2.25 105.19 101.84 2lfb n GLY 65 Ca 0.30 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.99 2lfb n GLY 65 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2lfb h SER 66 N 0.00 -0.03 -0.62 1.61 0.87 -1.92 -1.28 113.55 112.18 2lfb h SER 66 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2lfb h SER 66 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2lfb h SER 66 CO 0.00 0.00 0.00 -0.46 -0.53 0.00 0.00 176.83 175.84 2lfb n ASN 67 N -5.14 3.85 -4.72 6.23 0.23 -0.95 -2.87 115.26 111.89 2lfb n ASN 67 Ca 0.07 -2.18 -0.42 0.00 -0.53 0.00 0.00 54.58 51.52 2lfb n ASN 67 Cb 0.29 -0.49 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2lfb n LEU 68 N 1.21 3.96 -4.80 -4.53 7.94 -0.48 -4.83 117.00 115.47 2lfb n LEU 68 Ca 0.22 1.08 -0.38 0.00 -1.11 0.00 0.00 56.01 55.82 2lfb n LEU 68 Cb 0.67 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 43.00 2lfb n LEU 68 CO 0.18 0.12 0.40 0.54 -1.11 0.00 0.00 177.39 177.51 2lfb s VAL 69 N 0.90 4.53 0.22 1.96 0.11 -1.26 -4.88 120.40 121.98 2lfb s VAL 69 Ca 0.73 1.46 0.05 0.00 -2.93 0.00 0.00 61.98 61.29 2lfb s VAL 69 Cb -0.52 -4.00 -0.05 0.00 -1.53 0.00 0.00 36.38 30.27 2lfb s VAL 69 CO 0.36 0.47 -0.05 0.42 -3.33 0.00 0.00 175.10 172.97 2lfb s THR 70 N -1.21 1.26 0.21 5.04 -4.23 -1.26 -4.88 115.64 110.57 2lfb s THR 70 Ca 0.35 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.64 2lfb s THR 70 Cb -0.21 -2.23 0.24 0.00 1.34 0.00 0.00 72.50 71.65 2lfb s THR 70 CO 0.23 -0.44 1.61 -0.33 -0.54 0.00 0.00 174.62 175.15 2lfb h GLU 71 N 2.51 -0.02 -0.78 3.99 5.08 -1.97 -0.61 114.58 122.78 2lfb h GLU 71 Ca -0.38 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.10 2lfb h GLU 71 Cb 1.22 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2lfb h GLU 71 CO 0.65 -0.02 0.51 -0.24 -1.00 0.00 0.00 179.01 178.91 2lfb h VAL 72 N -0.02 0.88 0.59 3.13 3.04 -1.97 0.20 116.25 122.09 2lfb h VAL 72 Ca 0.31 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.77 2lfb h VAL 72 Cb 0.50 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 29.99 2lfb h VAL 72 CO -0.69 0.11 -0.45 0.03 -1.01 0.00 0.00 177.57 175.56 2lfb h ARG 73 N 0.60 -0.97 0.07 4.17 2.47 -1.51 -0.70 114.38 118.51 2lfb h ARG 73 Ca 0.37 0.07 0.01 0.00 -1.26 0.00 0.00 59.98 59.17 2lfb h ARG 73 Cb 0.61 0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 2lfb h ARG 73 CO -0.14 -0.65 -0.12 0.28 0.56 0.00 0.00 179.97 179.90 2lfb h VAL 74 N -1.01 0.71 -0.36 2.04 2.07 -1.27 -1.70 116.25 116.72 2lfb h VAL 74 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2lfb h VAL 74 Cb 0.85 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2lfb h VAL 74 CO 0.01 0.00 -0.24 0.22 0.02 0.00 0.00 177.57 177.58 2lfb h TYR 75 N -0.25 -0.63 0.02 1.57 5.03 -0.56 0.18 116.97 122.33 2lfb h TYR 75 Ca 0.02 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.40 2lfb h TYR 75 Cb 0.27 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 2lfb h TYR 75 CO -0.15 -0.32 -0.19 -0.91 -1.32 0.00 0.00 178.16 175.28 2lfb h ASN 76 N -0.19 -0.54 0.08 -2.11 2.35 -0.91 0.11 115.58 114.37 2lfb h ASN 76 Ca 0.18 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 2lfb h ASN 76 Cb 0.47 0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.01 2lfb h ASN 76 CO -0.47 -0.26 -0.42 -0.25 -1.65 0.00 0.00 177.43 174.38 2lfb h TRP 77 N -0.31 -1.18 -0.25 1.19 7.01 -0.28 0.07 115.95 122.19 2lfb h TRP 77 Ca 0.05 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.14 2lfb h TRP 77 Cb 0.38 0.51 -0.06 0.00 -2.10 0.00 0.00 29.16 27.89 2lfb h TRP 77 CO -0.23 -0.51 -0.13 0.74 -2.79 0.00 0.00 178.44 175.52 2lfb h PHE 78 N -0.63 -0.32 0.00 2.65 -1.00 -0.52 0.78 116.94 117.89 2lfb h PHE 78 Ca 0.03 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 2lfb h PHE 78 Cb 0.67 0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.41 2lfb h PHE 78 CO -0.38 -0.20 -0.02 0.00 -1.61 0.00 0.00 178.31 176.09 2lfb h ALA 79 N 1.09 1.28 0.01 2.45 0.00 -0.36 -0.75 119.26 122.98 2lfb h ALA 79 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2lfb h ALA 79 Cb 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2lfb h ALA 79 CO -0.32 0.03 -0.20 -0.91 0.00 0.00 0.00 179.25 177.85 2lfb h ASN 80 N 0.00 0.03 -0.76 0.00 2.35 0.37 -3.36 115.58 114.21 2lfb h ASN 80 Ca -0.00 -0.94 0.11 0.00 -0.55 0.00 0.00 56.30 54.92 2lfb h ASN 80 Cb 0.10 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.38 2lfb h ASN 80 CO 0.00 1.08 0.38 0.03 -1.65 0.00 0.00 177.43 177.27 2lfb h ARG 81 N -0.95 0.59 -0.70 0.81 3.08 0.17 0.16 114.38 117.54 2lfb h ARG 81 Ca -0.05 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.04 2lfb h ARG 81 Cb 1.08 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 2lfb h ARG 81 CO -0.01 0.39 0.46 0.07 -1.07 0.00 0.00 179.97 179.80 2lfb h ARG 82 N 0.60 0.64 -0.05 0.04 -0.00 -1.37 -0.22 114.38 114.02 2lfb h ARG 82 Ca 0.39 -0.04 -0.22 0.00 -0.00 0.00 0.00 59.98 60.11 2lfb h ARG 82 Cb 0.46 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 2lfb h ARG 82 CO -0.31 0.43 -0.86 -0.22 -0.00 0.00 0.00 179.97 179.01 2lfb h LYS 83 N 0.66 0.53 -0.86 0.08 1.63 -0.92 -2.00 116.57 115.69 2lfb h LYS 83 Ca 0.31 -0.50 0.19 0.00 -0.85 0.00 0.00 60.65 59.80 2lfb h LYS 83 Cb 0.35 0.13 -0.12 0.00 -0.60 0.00 0.00 32.23 31.99 2lfb h LYS 83 CO -0.10 1.13 0.38 1.49 -3.45 0.00 0.00 179.45 178.90 2lfb h GLU 84 N 0.33 0.42 -0.03 1.90 4.81 0.52 0.28 114.58 122.82 2lfb h GLU 84 Ca -0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2lfb h GLU 84 Cb 1.48 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.77 2lfb h GLU 84 CO 0.16 0.28 -0.01 1.49 -0.73 0.00 0.00 179.01 180.19 2lfb h GLU 85 N 0.44 0.06 -0.89 1.92 4.81 -0.82 -1.60 114.58 118.50 2lfb h GLU 85 Ca 0.52 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.87 2lfb h GLU 85 Cb 0.92 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.23 2lfb h GLU 85 CO -0.49 0.46 0.58 0.00 -0.73 0.00 0.00 179.01 178.83 2lfb h ALA 86 N 0.60 1.88 0.24 2.92 0.00 -0.69 0.14 119.26 124.34 2lfb h ALA 86 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2lfb h ALA 86 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2lfb h ALA 86 CO 0.00 -0.13 -0.28 0.35 0.00 0.00 0.00 179.25 179.20 2lfb h PHE 87 N 0.65 -0.75 -0.62 0.00 3.57 0.03 -0.92 116.94 118.91 2lfb h PHE 87 Ca 0.45 0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.06 2lfb h PHE 87 Cb 0.78 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 2lfb h PHE 87 CO -0.00 -0.40 0.42 -0.09 -2.23 0.00 0.00 178.31 176.00 2lfb h ARG 88 N -0.56 0.40 0.00 1.11 2.43 -0.15 0.43 114.38 118.03 2lfb h ARG 88 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2lfb h ARG 88 Cb 0.54 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2lfb h ARG 88 CO -0.08 0.26 0.00 1.58 -1.51 0.00 0.00 179.97 180.22 2lfb n HIS 89 N -4.47 0.09 0.00 2.20 -0.00 0.33 -4.04 115.22 109.33 2lfb n HIS 89 Ca 0.10 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2lfb n HIS 89 Cb 0.39 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.70 2lfb n HIS 89 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2lfb n LYS 90 N -1.58 0.00 0.00 1.57 3.00 -0.77 -5.05 118.16 115.32 2lfb n LYS 90 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2lfb n LYS 90 Cb 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 35.03 34.72 2lfb n LYS 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2lfb n LEU 91 N -2.16 0.00 -3.01 3.14 7.99 0.14 -4.55 117.00 118.56 2lfb n LEU 91 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 2lfb n LEU 91 Cb 0.18 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.51 2lfb n LEU 91 CO 0.00 0.00 0.24 0.00 -1.51 0.00 0.00 177.39 176.12 2lfb n ALA 92 N -3.00 -2.41 -1.56 -1.18 0.00 -1.25 -2.59 120.51 108.51 2lfb n ALA 92 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 2lfb n ALA 92 Cb 0.00 -2.54 -0.07 0.00 0.00 0.00 0.00 19.45 16.84 2lfb n ALA 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2lfb n MET 93 N -2.11 -1.41 0.00 0.00 1.56 -1.26 -0.61 117.12 113.29 2lfb n MET 93 Ca -0.02 0.97 0.00 0.00 -0.27 0.00 0.00 57.70 58.38 2lfb n MET 93 Cb 0.53 -5.30 0.00 0.00 2.15 0.00 0.00 33.22 30.60 2lfb n MET 93 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2lfb n ASP 94 N -0.98 0.00 -0.02 6.12 2.03 -1.07 -4.50 116.55 118.14 2lfb n ASP 94 Ca -0.17 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.14 2lfb n ASP 94 Cb 0.55 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2lfb n ASP 94 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2lfb h THR 95 N 0.00 0.00 -2.61 5.18 1.35 -1.48 -3.43 112.91 111.92 2lfb h THR 95 Ca 0.00 -0.28 -0.09 0.00 -0.55 0.00 0.00 66.41 65.49 2lfb h THR 95 Cb 0.00 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 66.22 2lfb h THR 95 CO 0.00 0.00 -0.08 -0.72 -0.25 0.00 0.00 175.52 174.47 2lfb s TYR 96 N -1.21 -0.38 0.00 4.73 1.13 0.23 -4.98 117.35 116.87 2lfb s TYR 96 Ca -0.01 0.64 0.00 0.00 -1.41 0.00 0.00 57.07 56.29 2lfb s TYR 96 Cb 0.00 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 2lfb s TYR 96 CO 0.02 -0.47 0.00 1.17 -2.51 0.00 0.00 175.55 173.75 2lfb n LYS 97 N 1.17 0.00 -2.89 -3.49 4.81 -1.22 -4.21 118.16 112.33 2lfb n LYS 97 Ca -0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.22 2lfb n LYS 97 Cb 0.56 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2lfb n LEU 98 N 0.00 -5.48 0.00 3.14 0.00 -1.26 -5.04 117.00 108.36 2lfb n LEU 98 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 56.01 57.40 2lfb n LEU 98 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 43.42 41.02 2lfb n LEU 98 CO 0.00 -3.07 0.21 0.59 0.00 0.00 0.00 177.39 175.12