#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qll h LEU 2 N 0.00 0.17 -0.30 1.04 3.38 -1.30 -0.71 115.31 117.59 1qll h LEU 2 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1qll h LEU 2 Cb 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1qll h LEU 2 CO 0.00 -0.03 -0.02 -0.26 0.09 0.00 0.00 178.44 178.22 1qll h PHE 3 N 0.11 0.60 -0.27 1.13 0.04 -1.95 -1.26 116.94 115.33 1qll h PHE 3 Ca 0.71 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 61.31 1qll h PHE 3 Cb 2.45 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 40.43 1qll h PHE 3 CO -0.00 0.69 -0.05 0.93 -0.60 0.00 0.00 178.31 179.28 1qll h GLU 4 N 0.33 0.52 -0.23 1.51 3.07 -1.55 -2.11 114.58 116.13 1qll h GLU 4 Ca 0.08 -0.19 0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1qll h GLU 4 Cb 0.46 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 1qll h GLU 4 CO 0.02 0.71 -0.15 1.25 -1.40 0.00 0.00 179.01 179.44 1qll h LEU 5 N 0.28 -0.48 -0.50 1.33 5.85 -1.35 -0.88 115.31 119.56 1qll h LEU 5 Ca 0.07 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1qll h LEU 5 Cb 0.51 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1qll h LEU 5 CO 0.02 -0.19 0.25 1.23 -0.34 0.00 0.00 178.44 179.41 1qll h GLY 6 N -0.14 0.76 0.71 3.75 0.00 -1.21 -2.11 103.07 104.82 1qll h GLY 6 Ca 0.13 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1qll h GLY 6 CO -0.31 0.35 0.01 1.70 0.00 0.00 0.00 176.54 178.29 1qll h LYS 7 N 0.66 0.07 -0.73 4.80 3.64 -0.94 -0.79 116.57 123.28 1qll h LYS 7 Ca 0.17 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1qll h LYS 7 Cb 0.10 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1qll h LYS 7 CO -0.02 0.05 0.37 0.52 -2.27 0.00 0.00 179.45 178.10 1qll h MET 8 N 0.07 0.61 -0.41 1.90 2.86 -0.96 0.54 114.93 119.54 1qll h MET 8 Ca 0.09 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1qll h MET 8 Cb 0.11 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1qll h MET 8 CO -0.15 0.40 0.08 0.82 1.06 0.00 0.00 176.91 179.11 1qll h ILE 9 N 0.62 1.24 -0.40 -1.22 2.04 -0.84 -0.43 117.51 118.52 1qll h ILE 9 Ca 0.36 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1qll h ILE 9 Cb 0.39 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1qll h ILE 9 CO -0.27 0.29 0.20 0.25 0.00 0.00 0.00 178.15 178.62 1qll h LEU 10 N 0.52 0.51 -0.26 1.44 6.46 -0.72 0.21 115.31 123.49 1qll h LEU 10 Ca 0.13 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1qll h LEU 10 Cb 0.35 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1qll h LEU 10 CO 0.01 0.48 0.15 1.56 -0.62 0.00 0.00 178.44 180.01 1qll h GLN 11 N 0.51 0.35 0.11 1.25 4.20 -0.56 0.08 115.11 121.06 1qll h GLN 11 Ca 0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1qll h GLN 11 Cb 0.09 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1qll h GLN 11 CO -0.02 0.30 -0.05 0.93 -0.67 0.00 0.00 178.83 179.31 1qll h GLU 12 N 0.31 -0.15 0.00 1.46 4.39 -0.96 -3.37 114.58 116.26 1qll h GLU 12 Ca 0.09 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 1qll h GLU 12 Cb 0.04 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1qll h GLU 12 CO -0.02 0.27 -0.82 1.79 -1.16 0.00 0.00 179.01 179.07 1qll h THR 13 N -0.61 0.65 0.00 1.13 1.35 -1.04 -3.48 112.91 110.92 1qll h THR 13 Ca -0.02 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 1qll h THR 13 Cb 0.48 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1qll h THR 13 CO 0.03 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1qll n GLY 14 N 1.27 0.77 3.74 5.82 0.00 0.01 -5.03 105.19 111.78 1qll n GLY 14 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1qll n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qll s LYS 15 N -0.08 2.72 -0.23 1.61 -0.14 -1.26 -5.03 119.74 117.33 1qll s LYS 15 Ca 0.00 -0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 53.53 1qll s LYS 15 Cb 0.00 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 1qll s LYS 15 CO 0.00 0.54 1.78 1.21 -0.76 0.00 0.00 175.35 178.12 1qll s ASN 16 N -2.48 6.12 0.22 2.83 3.84 -1.26 -4.15 114.94 120.06 1qll s ASN 16 Ca 0.28 1.65 -0.06 0.00 0.21 0.00 0.00 52.86 54.94 1qll s ASN 16 Cb -0.12 -2.53 0.19 0.00 -0.55 0.00 0.00 41.25 38.25 1qll s ASN 16 CO 0.20 -1.47 1.69 1.55 -2.79 0.00 0.00 177.10 176.29 1qll h PRO 17 N 11.92 0.95 -0.31 0.43 0.13 -1.93 -1.96 132.00 141.23 1qll h PRO 17 Ca -0.36 -0.28 -0.02 0.00 -0.87 0.00 0.00 66.00 64.47 1qll h PRO 17 Cb 1.18 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1qll h PRO 17 CO 1.00 0.94 0.13 0.00 -0.23 0.00 0.00 178.00 179.84 1qll h ALA 18 N 1.12 0.41 -0.11 -0.56 0.00 -1.93 0.39 119.26 118.57 1qll h ALA 18 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1qll h ALA 18 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qll h ALA 18 CO 0.03 -0.01 -0.06 -0.22 0.00 0.00 0.00 179.25 178.99 1qll h LYS 19 N 0.36 0.23 0.01 0.00 3.64 -1.97 0.18 116.57 119.01 1qll h LYS 19 Ca 0.10 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1qll h LYS 19 Cb 0.17 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1qll h LYS 19 CO -0.01 0.59 -1.04 0.77 -2.27 0.00 0.00 179.45 177.49 1qll h SER 20 N -0.13 0.02 0.00 4.20 0.02 -1.35 -3.39 113.55 112.92 1qll h SER 20 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qll h SER 20 Cb 0.52 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1qll h SER 20 CO 0.02 1.02 0.00 -1.22 -1.14 0.00 0.00 176.83 175.51 1qll n TYR 21 N -3.35 0.00 0.30 3.45 4.01 0.07 -4.59 117.16 117.06 1qll n TYR 21 Ca -0.01 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.90 1qll n TYR 21 Cb 0.95 0.00 0.80 0.00 -0.31 0.00 0.00 39.34 40.78 1qll n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qll h GLY 22 N 0.00 0.00 -2.05 2.72 0.00 -0.00 -3.22 103.07 100.52 1qll h GLY 22 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1qll h GLY 22 CO 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 176.54 175.76 1qll n ALA 23 N -2.00 2.27 -2.26 3.60 0.00 -1.26 -2.20 120.51 118.67 1qll n ALA 23 Ca -0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 53.44 51.14 1qll n ALA 23 Cb 0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1qll n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1qll s TYR 24 N -0.23 3.40 0.00 0.00 6.14 -1.10 -1.84 117.35 123.72 1qll s TYR 24 Ca 0.21 1.28 0.00 0.00 0.64 0.00 0.00 57.07 59.20 1qll s TYR 24 Cb 0.23 -3.47 0.00 0.00 0.42 0.00 0.00 41.96 39.15 1qll s TYR 24 CO -0.09 -1.44 0.00 0.41 0.64 0.00 0.00 175.55 175.07 1qll n GLY 25 N 2.92 0.94 0.02 8.97 0.00 -0.35 -1.91 105.19 115.78 1qll n GLY 25 Ca 0.08 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1qll n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qll n ASN 27 N -1.43 0.58 -4.75 0.00 3.02 -1.24 -2.99 115.26 108.46 1qll n ASN 27 Ca 0.06 -0.13 -0.39 0.00 -0.03 0.00 0.00 54.58 54.09 1qll n ASN 27 Cb 0.34 0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 1qll n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qll n GLY 29 N 2.58 0.60 3.70 0.00 0.00 -1.23 -3.23 105.19 107.60 1qll n GLY 29 Ca -0.05 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 1qll n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qll s VAL 30 N 0.00 2.40 0.00 1.61 -7.23 -0.94 -4.86 120.40 111.38 1qll s VAL 30 Ca 0.00 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1qll s VAL 30 Cb 0.00 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1qll s VAL 30 CO 0.00 -0.17 0.00 0.18 -0.31 0.00 0.00 175.10 174.80 1qll n LEU 31 N -4.02 0.00 0.00 1.32 4.77 -1.26 -4.92 117.00 112.89 1qll n LEU 31 Ca 0.11 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1qll n LEU 31 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1qll n LEU 31 CO 0.50 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1qll n GLY 32 N -0.03 1.34 3.83 -0.72 0.00 -1.26 -5.04 105.19 103.31 1qll n GLY 32 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1qll n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qll s ARG 33 N 3.66 2.51 0.20 1.61 0.52 -1.26 -4.42 118.95 121.76 1qll s ARG 33 Ca 0.00 -1.53 -0.13 0.00 -0.52 0.00 0.00 55.73 53.55 1qll s ARG 33 Cb 0.00 -2.31 0.05 0.00 0.52 0.00 0.00 34.95 33.21 1qll s ARG 33 CO 0.00 -0.07 0.67 0.41 0.02 0.00 0.00 175.30 176.33 1qll n GLY 34 N -1.41 1.00 3.71 -3.53 0.00 -1.16 -4.43 105.19 99.36 1qll n GLY 34 Ca 0.01 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1qll n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qll s LYS 35 N -2.05 4.17 0.53 1.61 2.20 -0.40 -4.60 119.74 121.20 1qll s LYS 35 Ca 0.14 2.46 -0.22 0.00 -0.36 0.00 0.00 55.97 58.00 1qll s LYS 35 Cb -0.03 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1qll s LYS 35 CO 0.06 -0.72 1.29 -2.14 -0.36 0.00 0.00 175.35 173.47 1qll s PRO 36 N 1.85 3.29 0.07 4.03 0.02 -1.26 -4.64 135.00 138.36 1qll s PRO 36 Ca 0.74 2.06 0.19 0.00 0.02 0.00 0.00 61.00 64.02 1qll s PRO 36 Cb -0.45 -2.26 -0.13 0.00 0.02 0.00 0.00 34.50 31.68 1qll s PRO 36 CO 0.33 -1.01 0.78 1.63 -0.33 0.00 0.00 177.00 178.39 1qll n LYS 37 N -0.94 0.63 -2.71 5.54 4.76 -1.26 -4.96 118.16 119.22 1qll n LYS 37 Ca 0.10 0.11 -0.01 0.00 -2.87 0.00 0.00 58.31 55.64 1qll n LYS 37 Cb 0.46 -1.75 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1qll n LYS 37 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1qll n ASP 38 N -2.72 -0.85 -0.08 4.39 5.75 -1.26 -5.01 116.55 116.77 1qll n ASP 38 Ca -0.08 -1.42 -0.14 0.00 -0.01 0.00 0.00 54.79 53.14 1qll n ASP 38 Cb 0.74 1.37 -0.05 0.00 -1.03 0.00 0.00 41.12 42.15 1qll n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qll h ALA 39 N 2.00 0.43 -0.41 2.12 0.00 -1.94 -0.93 119.26 120.52 1qll h ALA 39 Ca -0.13 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.38 1qll h ALA 39 Cb 0.61 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1qll h ALA 39 CO 0.18 0.57 0.02 1.15 0.00 0.00 0.00 179.25 181.17 1qll h THR 40 N 0.55 0.71 -0.51 0.00 2.02 -1.92 -0.04 112.91 113.72 1qll h THR 40 Ca 0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1qll h THR 40 Cb 1.05 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1qll h THR 40 CO 0.10 0.02 0.22 -0.78 0.37 0.00 0.00 175.52 175.46 1qll h ASP 41 N 0.13 0.65 0.12 4.18 3.58 -1.86 -1.45 116.42 121.77 1qll h ASP 41 Ca 0.20 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 1qll h ASP 41 Cb 0.28 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1qll h ASP 41 CO -0.32 0.57 -0.29 -0.09 -2.88 0.00 0.00 179.24 176.24 1qll h ARG 42 N 0.72 0.27 -0.48 0.28 2.43 -0.48 -0.63 114.38 116.49 1qll h ARG 42 Ca 0.18 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1qll h ARG 42 Cb 0.12 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1qll h ARG 42 CO -0.02 0.54 0.25 0.00 -1.51 0.00 0.00 179.97 179.23 1qll h TYR 45 N 0.00 0.28 -0.54 0.00 5.03 -0.52 -1.66 116.97 119.56 1qll h TYR 45 Ca -0.00 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1qll h TYR 45 Cb 0.64 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1qll h TYR 45 CO 0.00 0.38 0.22 0.28 -1.32 0.00 0.00 178.16 177.72 1qll h VAL 46 N 0.10 1.22 -0.25 1.81 2.07 -0.99 -2.31 116.25 117.89 1qll h VAL 46 Ca 0.06 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1qll h VAL 46 Cb 0.23 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1qll h VAL 46 CO -0.00 0.26 -0.00 -0.74 0.02 0.00 0.00 177.57 177.10 1qll h HIS 47 N 0.73 -0.01 -0.27 1.57 -0.00 -1.23 0.54 115.15 116.48 1qll h HIS 47 Ca 0.18 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1qll h HIS 47 Cb 0.19 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1qll h HIS 47 CO 0.01 -0.04 -0.06 0.87 -0.00 0.00 0.00 177.93 178.71 1qll h LYS 48 N 0.08 0.43 -0.05 5.26 1.57 -1.12 -0.19 116.57 122.53 1qll h LYS 48 Ca 0.12 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1qll h LYS 48 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1qll h LYS 48 CO -0.20 0.50 -0.43 0.00 -0.57 0.00 0.00 179.45 178.76 1qll h TYR 51 N 0.95 0.00 0.00 0.00 0.05 -0.89 -2.96 116.97 114.12 1qll h TYR 51 Ca 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 1qll h TYR 51 Cb 0.25 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 1qll h TYR 51 CO 0.02 0.27 -0.06 0.87 -1.05 0.00 0.00 178.16 178.21 1qll h LYS 52 N 0.00 0.00 -0.00 4.88 1.57 -1.25 -0.34 116.57 121.43 1qll h LYS 52 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qll h LYS 52 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1qll h LYS 52 CO 0.04 0.06 -0.15 1.63 -0.57 0.00 0.00 179.45 180.46 1qll n LYS 53 N -3.62 0.15 -2.39 3.15 4.01 -1.12 -4.79 118.16 113.55 1qll n LYS 53 Ca -0.02 -0.04 -0.43 0.00 -0.51 0.00 0.00 58.31 57.31 1qll n LYS 53 Cb 0.17 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.16 1qll n LYS 53 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1qll s LEU 54 N -2.88 3.75 0.00 -0.35 1.43 -0.14 -4.99 118.68 115.51 1qll s LEU 54 Ca 0.17 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1qll s LEU 54 Cb 0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1qll s LEU 54 CO 0.56 -1.24 0.00 0.35 0.23 0.00 0.00 176.35 176.25 1qll n THR 55 N 6.59 0.00 1.16 5.49 -2.24 -1.26 -4.56 114.28 119.45 1qll n THR 55 Ca 0.15 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1qll n THR 55 Cb 0.47 -0.38 0.22 0.00 -2.10 0.00 0.00 70.33 68.55 1qll n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qll n GLY 56 N 0.00 -0.21 3.93 3.38 0.00 -1.26 -4.96 105.19 106.07 1qll n GLY 56 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1qll n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qll s ASN 58 N -4.39 5.47 0.28 0.00 3.84 -1.26 -4.98 114.94 113.90 1qll s ASN 58 Ca 0.56 -1.12 -0.02 0.00 0.21 0.00 0.00 52.86 52.49 1qll s ASN 58 Cb -0.11 -1.92 0.39 0.00 -0.55 0.00 0.00 41.25 39.06 1qll s ASN 58 CO 0.43 -0.36 1.87 -0.65 -2.79 0.00 0.00 177.10 175.60 1qll h PRO 59 N 8.30 0.96 -0.12 0.43 0.11 -1.97 0.38 132.00 140.09 1qll h PRO 59 Ca -0.24 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1qll h PRO 59 Cb 1.09 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1qll h PRO 59 CO 0.63 0.76 -0.24 0.87 -0.21 0.00 0.00 178.00 179.81 1qll h LYS 60 N 0.95 0.37 0.00 1.05 1.57 -1.93 -3.34 116.57 115.24 1qll h LYS 60 Ca 0.23 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1qll h LYS 60 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1qll h LYS 60 CO -0.02 0.84 -1.35 1.63 -0.57 0.00 0.00 179.45 179.97 1qll n LYS 61 N -4.47 0.85 -2.58 3.15 5.02 -1.12 -1.25 118.16 117.76 1qll n LYS 61 Ca -0.07 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 1qll n LYS 61 Cb 0.44 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1qll n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qll s ASP 62 N -3.10 7.27 0.50 4.39 1.01 0.11 -4.76 116.67 122.08 1qll s ASP 62 Ca -0.03 1.86 -0.11 0.00 0.71 0.00 0.00 52.55 54.99 1qll s ASP 62 Cb 0.07 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 1qll s ASP 62 CO 0.47 -0.31 0.89 -0.13 0.21 0.00 0.00 175.17 176.30 1qll s ARG 63 N 0.71 3.73 0.16 8.23 1.81 -1.26 0.28 118.95 132.62 1qll s ARG 63 Ca 0.53 0.61 -0.13 0.00 -1.72 0.00 0.00 55.73 55.02 1qll s ARG 63 Cb -0.25 -2.25 0.01 0.00 -0.45 0.00 0.00 34.95 32.01 1qll s ARG 63 CO 0.30 -0.26 0.39 1.52 -0.68 0.00 0.00 175.30 176.57 1qll s TYR 64 N -2.70 0.08 0.12 -0.53 -0.85 -1.26 -4.80 117.35 107.41 1qll s TYR 64 Ca 0.53 -0.43 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 1qll s TYR 64 Cb -0.10 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1qll s TYR 64 CO 0.39 -0.78 0.10 -1.54 -1.52 0.00 0.00 175.55 172.20 1qll s SER 65 N -2.90 5.47 0.20 -0.18 1.04 -1.26 -4.94 113.70 111.13 1qll s SER 65 Ca 0.11 -0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.24 1qll s SER 65 Cb 0.02 -1.43 0.04 0.00 0.10 0.00 0.00 66.02 64.75 1qll s SER 65 CO -0.04 0.13 0.61 -0.72 0.98 0.00 0.00 173.24 174.19 1qll s TYR 66 N -1.55 -0.33 0.08 5.02 -0.85 -1.26 -1.38 117.35 117.09 1qll s TYR 66 Ca 0.30 0.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.87 1qll s TYR 66 Cb -0.11 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1qll s TYR 66 CO 0.22 -0.97 -0.06 -1.54 -1.52 0.00 0.00 175.55 171.69 1qll s SER 67 N -2.83 0.95 -0.72 -0.18 1.04 -0.58 -4.88 113.70 106.49 1qll s SER 67 Ca 0.06 -0.99 -0.14 0.00 0.48 0.00 0.00 55.95 55.36 1qll s SER 67 Cb -0.02 0.12 0.19 0.00 0.10 0.00 0.00 66.02 66.41 1qll s SER 67 CO -0.05 -0.50 0.66 0.86 0.98 0.00 0.00 173.24 175.19 1qll s TRP 68 N -3.64 3.58 -0.24 5.02 -0.11 -1.26 -0.65 118.94 121.64 1qll s TRP 68 Ca 0.10 -1.79 -0.02 0.00 1.22 0.00 0.00 56.10 55.61 1qll s TRP 68 Cb 0.06 -3.79 0.02 0.00 -1.50 0.00 0.00 33.47 28.26 1qll s TRP 68 CO -0.06 -1.00 -0.07 0.21 -4.62 0.00 0.00 176.95 171.42 1qll s LYS 69 N 0.65 2.87 -1.37 5.86 2.20 -0.35 -4.65 119.74 124.95 1qll s LYS 69 Ca 0.13 -0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 54.71 1qll s LYS 69 Cb -0.17 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1qll s LYS 69 CO -0.05 -0.38 0.42 -0.25 -0.36 0.00 0.00 175.35 174.73 1qll n ASP 70 N 4.67 -1.26 -3.79 1.43 8.00 -1.26 -2.13 116.55 122.21 1qll n ASP 70 Ca -0.17 -1.10 -0.27 0.00 0.71 0.00 0.00 54.79 53.96 1qll n ASP 70 Cb 0.47 -2.62 0.04 0.00 -0.02 0.00 0.00 41.12 39.00 1qll n ASP 70 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qll n LYS 71 N -4.49 -6.07 -3.89 -1.24 5.02 -1.26 -4.99 118.16 101.24 1qll n LYS 71 Ca -0.26 0.67 -0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1qll n LYS 71 Cb 0.66 -5.55 -0.12 0.00 -0.02 0.00 0.00 35.03 30.00 1qll n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1qll s THR 72 N -3.36 0.05 -0.21 -0.18 -1.32 -0.91 -5.08 115.64 104.63 1qll s THR 72 Ca 0.52 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 1qll s THR 72 Cb -0.25 -0.23 0.01 0.00 -1.51 0.00 0.00 72.50 70.51 1qll s THR 72 CO 0.80 -0.22 1.06 -0.63 -2.21 0.00 0.00 174.62 173.41 1qll s ILE 73 N -0.69 4.66 -0.21 5.08 1.01 -1.26 -1.21 121.20 128.58 1qll s ILE 73 Ca -0.08 1.99 0.01 0.00 0.00 0.00 0.00 60.65 62.57 1qll s ILE 73 Cb -0.05 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.19 1qll s ILE 73 CO 0.00 -0.15 -0.10 0.54 0.00 0.00 0.00 174.94 175.23 1qll s VAL 74 N 3.07 1.66 0.03 2.92 0.11 0.18 -4.98 120.40 123.38 1qll s VAL 74 Ca 0.45 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 1qll s VAL 74 Cb -0.16 -1.76 -0.07 0.00 -1.53 0.00 0.00 36.38 32.85 1qll s VAL 74 CO 0.08 0.12 1.67 0.00 -3.33 0.00 0.00 175.10 173.64 1qll s GLY 76 N 2.81 1.57 0.05 0.00 0.00 -0.48 -4.95 107.32 106.32 1qll s GLY 76 Ca 0.74 -0.58 -0.24 0.00 0.00 0.00 0.00 44.72 44.64 1qll s GLY 76 CO 0.32 0.13 1.38 1.05 0.00 0.00 0.00 173.10 175.98 1qll h GLU 77 N -2.15 -0.72 0.00 2.90 9.09 -1.95 -3.46 114.58 118.29 1qll h GLU 77 Ca -0.52 0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1qll h GLU 77 Cb 1.32 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.59 1qll h GLU 77 CO 0.50 -0.48 0.00 0.09 0.05 0.00 0.00 179.01 179.17 1qll n ASN 78 N -4.46 -1.07 -4.77 3.06 3.02 -1.26 -4.63 115.26 105.15 1qll n ASN 78 Ca -0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 1qll n ASN 78 Cb 0.33 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.58 1qll n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qll s ASN 79 N -4.00 4.61 0.14 6.41 2.20 -1.26 -4.86 114.94 118.18 1qll s ASN 79 Ca 0.00 -0.17 -0.28 0.00 -0.94 0.00 0.00 52.86 51.48 1qll s ASN 79 Cb 0.00 -0.37 -0.03 0.00 -2.00 0.00 0.00 41.25 38.85 1qll s ASN 79 CO 0.00 -1.67 1.59 -0.65 -2.94 0.00 0.00 177.10 173.44 1qll h PRO 80 N -0.41 -0.42 -0.28 3.55 0.11 -2.00 -1.23 132.00 131.32 1qll h PRO 80 Ca -0.39 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1qll h PRO 80 Cb 1.28 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 1qll h PRO 80 CO 0.45 -0.28 0.13 0.00 -0.21 0.00 0.00 178.00 178.09 1qll h LEU 82 N 0.31 0.00 -0.13 0.00 3.38 -1.90 -1.16 115.31 115.80 1qll h LEU 82 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1qll h LEU 82 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1qll h LEU 82 CO -0.01 0.08 -0.23 0.50 0.09 0.00 0.00 178.44 178.87 1qll h LYS 83 N 0.00 0.39 -0.17 1.13 1.63 -0.97 -1.50 116.57 117.08 1qll h LYS 83 Ca -0.00 -0.24 -0.11 0.00 -0.85 0.00 0.00 60.65 59.45 1qll h LYS 83 Cb 0.16 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1qll h LYS 83 CO 0.01 0.83 -0.37 0.93 -3.45 0.00 0.00 179.45 177.39 1qll h GLU 84 N -0.01 0.37 -0.13 1.90 4.39 -1.33 -0.90 114.58 118.86 1qll h GLU 84 Ca 0.01 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1qll h GLU 84 Cb 0.80 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1qll h GLU 84 CO 0.05 0.69 0.06 1.25 -1.16 0.00 0.00 179.01 179.91 1qll h LEU 85 N 0.31 0.17 -0.68 1.33 5.85 -1.18 -0.71 115.31 120.40 1qll h LEU 85 Ca 0.03 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1qll h LEU 85 Cb 0.80 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1qll h LEU 85 CO 0.06 0.24 0.42 0.00 -0.34 0.00 0.00 178.44 178.82 1qll h GLU 87 N 0.92 1.07 -0.30 0.00 4.39 -0.96 0.14 114.58 119.84 1qll h GLU 87 Ca 0.24 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.73 1qll h GLU 87 Cb -0.04 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 1qll h GLU 87 CO -0.05 0.97 -0.09 0.00 -1.16 0.00 0.00 179.01 178.69 1qll h ASP 89 N -0.02 0.96 -0.60 0.00 3.32 -1.16 -2.34 116.42 116.58 1qll h ASP 89 Ca 0.15 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1qll h ASP 89 Cb 0.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1qll h ASP 89 CO -0.32 1.11 0.35 0.50 -1.72 0.00 0.00 179.24 179.15 1qll h LYS 90 N 0.79 0.82 -0.25 3.56 3.64 -0.79 -2.00 116.57 122.33 1qll h LYS 90 Ca 0.12 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1qll h LYS 90 Cb 0.70 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1qll h LYS 90 CO 0.05 0.60 -0.17 0.00 -2.27 0.00 0.00 179.45 177.67 1qll h ALA 91 N 1.17 1.25 -0.15 5.00 0.00 -1.13 -1.87 119.26 123.52 1qll h ALA 91 Ca 0.21 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1qll h ALA 91 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qll h ALA 91 CO -0.04 0.49 -0.62 -0.24 0.00 0.00 0.00 179.25 178.85 1qll h VAL 92 N 0.40 1.34 -0.67 0.00 3.04 -1.29 -1.06 116.25 118.01 1qll h VAL 92 Ca 0.07 -1.91 -0.08 0.00 -1.01 0.00 0.00 66.70 63.77 1qll h VAL 92 Cb 0.53 1.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.67 1qll h VAL 92 CO 0.03 0.59 0.10 0.00 -1.01 0.00 0.00 177.57 177.28 1qll h ALA 93 N 0.94 0.89 -0.23 3.17 0.00 -0.60 0.31 119.26 123.74 1qll h ALA 93 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1qll h ALA 93 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1qll h ALA 93 CO 0.11 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.94 1qll h ILE 94 N 1.04 1.18 -0.64 0.00 2.04 -1.33 -2.24 117.51 117.55 1qll h ILE 94 Ca 0.20 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1qll h ILE 94 Cb 0.46 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1qll h ILE 94 CO 0.02 0.18 0.41 0.00 0.00 0.00 0.00 178.15 178.75 1qll h LEU 96 N 0.87 0.97 -0.54 0.00 3.38 -0.92 -1.83 115.31 117.25 1qll h LEU 96 Ca 0.23 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1qll h LEU 96 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1qll h LEU 96 CO -0.05 0.66 -0.36 -0.09 0.09 0.00 0.00 178.44 178.70 1qll h ARG 97 N 1.13 0.79 -0.62 1.13 2.43 -0.75 -3.07 114.38 115.43 1qll h ARG 97 Ca 0.37 -0.39 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1qll h ARG 97 Cb 0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1qll h ARG 97 CO -0.13 1.02 0.41 0.93 -1.51 0.00 0.00 179.97 180.69 1qll h GLU 98 N 0.65 0.70 -0.57 0.20 5.08 -0.45 -2.80 114.58 117.40 1qll h GLU 98 Ca 0.06 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1qll h GLU 98 Cb 0.91 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1qll h GLU 98 CO 0.08 0.46 0.05 0.09 -1.00 0.00 0.00 179.01 178.69 1qll n ASN 99 N -4.46 5.40 0.25 1.42 3.02 -0.75 -4.48 115.26 115.65 1qll n ASN 99 Ca 0.08 -3.01 0.07 0.00 -0.03 0.00 0.00 54.58 51.69 1qll n ASN 99 Cb 0.14 -0.68 0.59 0.00 -0.61 0.00 0.00 39.78 39.21 1qll n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1qll h LEU 100 N 3.53 0.00 -1.86 3.41 3.38 -1.41 -2.77 115.31 119.60 1qll h LEU 100 Ca 0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1qll h LEU 100 Cb 2.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 1qll h LEU 100 CO 0.51 0.08 0.23 1.23 0.09 0.00 0.00 178.44 180.59 1qll h GLY 101 N 0.27 0.22 -1.62 0.83 0.00 -1.84 -2.38 103.07 98.55 1qll h GLY 101 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1qll h GLY 101 CO 0.01 0.05 0.00 -1.30 0.00 0.00 0.00 176.54 175.31 1qll n THR 102 N -4.47 1.06 -1.71 4.70 -2.24 -1.05 -5.01 114.28 105.55 1qll n THR 102 Ca 0.04 -1.03 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 1qll n THR 102 Cb 0.28 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1qll n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qll n TYR 103 N 0.73 2.59 -4.09 4.78 4.19 -0.90 -4.93 117.16 119.53 1qll n TYR 103 Ca 0.15 0.24 -0.33 0.00 3.31 0.00 0.00 57.90 61.27 1qll n TYR 103 Cb 0.49 -2.58 -0.16 0.00 0.49 0.00 0.00 39.34 37.59 1qll n TYR 103 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1qll s ASN 104 N 0.71 3.59 0.58 2.98 3.04 -1.26 -5.00 114.94 119.58 1qll s ASN 104 Ca 0.70 -0.86 0.28 0.00 0.04 0.00 0.00 52.86 53.02 1qll s ASN 104 Cb -0.56 -1.52 1.65 0.00 -1.54 0.00 0.00 41.25 39.28 1qll s ASN 104 CO 0.42 -0.06 2.12 0.11 -3.04 0.00 0.00 177.10 176.65 1qll h LYS 105 N 7.90 0.00 0.00 0.43 1.57 -2.00 -1.04 116.57 123.43 1qll h LYS 105 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1qll h LYS 105 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1qll h LYS 105 CO 0.59 0.00 0.00 1.57 -0.57 0.00 0.00 179.45 181.04 1qll h LYS 106 N 0.00 0.00 -0.02 3.15 2.10 -2.02 -1.49 116.57 118.29 1qll h LYS 106 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1qll h LYS 106 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1qll h LYS 106 CO -0.00 0.00 -0.18 0.66 -2.00 0.00 0.00 179.45 177.92 1qll n TYR 107 N -2.96 0.00 -0.19 0.07 4.01 -0.40 -4.64 117.16 113.06 1qll n TYR 107 Ca -0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 1qll n TYR 107 Cb 0.17 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.27 1qll n TYR 107 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1qll h ARG 108 N 3.61 0.06 -2.40 -0.72 2.43 -1.32 -0.88 114.38 115.15 1qll h ARG 108 Ca 0.00 -0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 1qll h ARG 108 Cb 0.86 -0.01 -0.37 0.00 -0.42 0.00 0.00 29.97 30.03 1qll h ARG 108 CO 0.00 0.04 -0.05 0.66 -1.51 0.00 0.00 179.97 179.11 1qll n TYR 109 N -5.32 3.26 -2.39 2.20 4.01 -1.26 -2.72 117.16 114.94 1qll n TYR 109 Ca 0.07 -3.53 -0.37 0.00 -0.16 0.00 0.00 57.90 53.91 1qll n TYR 109 Cb 0.31 -0.80 -0.03 0.00 -0.31 0.00 0.00 39.34 38.52 1qll n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1qll s HIS 110 N -2.97 3.13 -0.84 -0.72 2.46 -0.77 -4.95 115.29 110.62 1qll s HIS 110 Ca 0.39 1.59 -0.22 0.00 0.47 0.00 0.00 55.06 57.30 1qll s HIS 110 Cb 0.15 -3.28 0.08 0.00 -0.13 0.00 0.00 32.58 29.41 1qll s HIS 110 CO -0.02 -1.05 1.17 -0.51 -2.47 0.00 0.00 174.74 171.87 1qll s LEU 111 N -2.63 4.26 0.22 8.88 2.01 -1.26 -4.88 118.68 125.28 1qll s LEU 111 Ca 0.58 -1.38 -0.08 0.00 0.01 0.00 0.00 54.13 53.26 1qll s LEU 111 Cb -0.27 -2.46 0.17 0.00 0.01 0.00 0.00 46.19 43.64 1qll s LEU 111 CO 0.33 -1.38 1.80 0.11 1.01 0.00 0.00 176.35 178.22 1qll h LYS 112 N 9.43 1.19 -0.51 1.70 1.57 -1.93 -2.76 116.57 125.27 1qll h LYS 112 Ca -0.03 -0.19 0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1qll h LYS 112 Cb 1.04 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1qll h LYS 112 CO 1.23 0.93 0.50 -1.35 -0.57 0.00 0.00 179.45 180.19 1qll h PRO 113 N 1.17 0.00 -0.27 3.15 0.11 -1.98 0.15 132.00 134.33 1qll h PRO 113 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1qll h PRO 113 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1qll h PRO 113 CO -0.03 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.95 1qll n PHE 114 N -3.79 0.36 -2.43 0.65 3.72 -1.04 -4.92 117.46 110.01 1qll n PHE 114 Ca 0.10 -0.18 -0.36 0.00 -0.05 0.00 0.00 57.45 56.96 1qll n PHE 114 Cb 0.71 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.22 1qll n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qll s LYS 116 N -2.78 3.57 0.49 0.00 2.47 -1.26 -4.89 119.74 117.33 1qll s LYS 116 Ca 0.63 1.66 -0.24 0.00 -1.56 0.00 0.00 55.97 56.46 1qll s LYS 116 Cb -0.23 -2.19 -0.07 0.00 -1.46 0.00 0.00 37.83 33.89 1qll s LYS 116 CO 0.28 -0.69 1.37 0.15 0.16 0.00 0.00 175.35 176.63 1qll s LYS 117 N -3.02 3.47 0.44 4.03 1.02 -1.26 -1.27 119.74 123.14 1qll s LYS 117 Ca 0.68 2.28 -0.12 0.00 0.02 0.00 0.00 55.97 58.84 1qll s LYS 117 Cb -0.25 -2.47 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 1qll s LYS 117 CO 0.30 -0.94 0.83 0.00 -0.92 0.00 0.00 175.35 174.61 1qll s ALA 118 N -1.27 3.28 0.78 5.17 0.00 -1.26 -4.12 121.76 124.34 1qll s ALA 118 Ca 0.65 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1qll s ALA 118 Cb -0.41 -2.81 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1qll s ALA 118 CO 0.51 -0.10 1.09 -0.51 0.00 0.00 0.00 175.76 176.75 1qll s ASP 119 N -3.21 4.42 0.64 0.00 1.01 -1.26 -4.97 116.67 113.30 1qll s ASP 119 Ca 0.53 1.80 -0.18 0.00 0.71 0.00 0.00 52.55 55.41 1qll s ASP 119 Cb -0.10 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1qll s ASP 119 CO 0.33 -2.09 1.27 -0.54 0.21 0.00 0.00 175.17 174.35 1qll s LYS 120 N -4.91 2.61 0.00 8.23 1.02 -1.26 -5.07 119.74 120.37 1qll s LYS 120 Ca 0.61 2.01 0.14 0.00 0.02 0.00 0.00 55.97 58.75 1qll s LYS 120 Cb -0.17 -1.86 0.81 0.00 -0.52 0.00 0.00 37.83 36.09 1qll s LYS 120 CO 0.56 -1.54 1.24 0.00 -0.92 0.00 0.00 175.35 174.69