#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqc s LYS 2 N 0.00 0.34 -0.05 0.03 0.00 -1.26 -1.44 119.74 117.36 1lqc s LYS 2 Ca 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 55.97 56.10 1lqc s LYS 2 Cb 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 37.83 37.76 1lqc s LYS 2 CO 0.00 -0.14 0.49 -2.30 0.00 0.00 0.00 175.35 173.40 1lqc n PRO 3 N 0.17 0.65 -3.69 1.78 -0.02 -1.26 -4.96 135.00 127.68 1lqc n PRO 3 Ca -0.02 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 1lqc n PRO 3 Cb 0.59 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.34 1lqc n PRO 3 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lqc s VAL 4 N -2.94 -0.00 -0.81 -1.45 0.11 -1.26 -5.09 120.40 108.96 1lqc s VAL 4 Ca -0.07 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.74 1lqc s VAL 4 Cb 0.09 -0.76 -0.13 0.00 -1.53 0.00 0.00 36.38 34.06 1lqc s VAL 4 CO 0.84 0.00 2.35 0.42 -3.33 0.00 0.00 175.10 175.39 1lqc s THR 5 N 0.56 3.07 0.34 5.04 -4.23 -1.26 -4.84 115.64 114.31 1lqc s THR 5 Ca -0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1lqc s THR 5 Cb -0.04 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1lqc s THR 5 CO -0.03 -0.14 0.64 0.18 -0.54 0.00 0.00 174.62 174.73 1lqc n LEU 6 N 18.09 0.00 -0.18 4.79 4.77 -1.26 -0.08 117.00 143.12 1lqc n LEU 6 Ca 0.46 0.26 0.18 0.00 -0.03 0.00 0.00 56.01 56.88 1lqc n LEU 6 Cb 0.44 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 42.06 1lqc n LEU 6 CO 0.55 -0.26 1.22 1.88 -1.33 0.00 0.00 177.39 179.44 1lqc h TYR 7 N 0.00 0.44 -0.09 -1.77 -1.99 -1.91 -1.26 116.97 110.39 1lqc h TYR 7 Ca 0.00 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.77 1lqc h TYR 7 Cb 1.28 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 39.85 1lqc h TYR 7 CO 0.00 0.15 -0.06 0.22 -0.00 0.00 0.00 178.16 178.46 1lqc h ASP 8 N 0.36 -0.20 -0.70 3.88 3.58 -0.87 0.18 116.42 122.65 1lqc h ASP 8 Ca 0.40 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.90 1lqc h ASP 8 Cb 1.03 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1lqc h ASP 8 CO -0.12 -0.09 0.46 0.58 -2.88 0.00 0.00 179.24 177.19 1lqc h VAL 9 N -0.07 1.18 0.43 2.25 2.07 -1.52 -1.51 116.25 119.07 1lqc h VAL 9 Ca 0.06 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1lqc h VAL 9 Cb 0.15 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1lqc h VAL 9 CO -0.13 0.17 -0.26 0.00 0.02 0.00 0.00 177.57 177.37 1lqc h ALA 10 N 1.26 -0.65 -0.58 1.67 0.00 -0.75 -0.64 119.26 119.56 1lqc h ALA 10 Ca 0.26 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1lqc h ALA 10 Cb -0.11 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1lqc h ALA 10 CO -0.06 -0.88 -0.00 0.93 0.00 0.00 0.00 179.25 179.24 1lqc h GLU 11 N -0.66 1.02 -0.39 0.00 3.07 -0.63 0.44 114.58 117.44 1lqc h GLU 11 Ca -0.05 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.41 1lqc h GLU 11 Cb 0.54 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1lqc h GLU 11 CO 0.05 1.01 -0.05 -0.92 -1.40 0.00 0.00 179.01 177.70 1lqc h TYR 12 N 0.91 0.69 0.00 4.33 5.03 -0.85 -2.30 116.97 124.78 1lqc h TYR 12 Ca 0.16 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1lqc h TYR 12 Cb 0.56 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.65 1lqc h TYR 12 CO 0.04 0.69 -0.78 0.00 -1.32 0.00 0.00 178.16 176.78 1lqc h ALA 13 N 1.34 0.59 -0.08 1.82 0.00 -0.87 -3.49 119.26 118.58 1lqc h ALA 13 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1lqc h ALA 13 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lqc h ALA 13 CO 0.02 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.67 1lqc n GLY 14 N 1.19 0.38 3.19 0.00 0.00 0.14 -4.98 105.19 105.11 1lqc n GLY 14 Ca 0.01 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1lqc n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqc s VAL 15 N -2.03 2.13 -0.18 1.61 0.11 -0.34 -4.96 120.40 116.74 1lqc s VAL 15 Ca 0.00 -0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 57.89 1lqc s VAL 15 Cb 0.00 -1.85 -0.08 0.00 -1.53 0.00 0.00 36.38 32.92 1lqc s VAL 15 CO 0.00 0.55 0.63 -1.54 -3.33 0.00 0.00 175.10 171.41 1lqc n SER 16 N 3.92 0.43 -0.30 3.54 3.41 -1.26 -4.38 113.62 118.98 1lqc n SER 16 Ca -0.20 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1lqc n SER 16 Cb 0.52 -0.37 0.28 0.00 -0.26 0.00 0.00 64.21 64.39 1lqc n SER 16 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1lqc h TYR 17 N 1.96 0.24 0.00 7.33 3.20 -1.97 -1.22 116.97 126.52 1lqc h TYR 17 Ca -0.19 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1lqc h TYR 17 Cb 0.57 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1lqc h TYR 17 CO 0.26 -0.27 0.16 -0.56 -1.64 0.00 0.00 178.16 176.12 1lqc h GLN 18 N 0.15 0.00 0.24 1.82 -0.00 -2.02 0.03 115.11 115.33 1lqc h GLN 18 Ca 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.19 1lqc h GLN 18 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 1lqc h GLN 18 CO -0.71 0.00 -0.11 1.79 -0.00 0.00 0.00 178.83 179.80 1lqc h THR 19 N 0.00 0.83 0.08 1.86 1.35 -1.57 -3.31 112.91 112.15 1lqc h THR 19 Ca 0.00 -0.45 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1lqc h THR 19 Cb 0.32 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1lqc h THR 19 CO 0.00 0.10 -0.04 0.58 -0.25 0.00 0.00 175.52 175.91 1lqc h VAL 20 N -0.55 0.95 -0.54 6.82 2.07 -1.12 0.88 116.25 124.77 1lqc h VAL 20 Ca -0.03 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1lqc h VAL 20 Cb 0.41 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1lqc h VAL 20 CO 0.05 0.03 0.35 0.28 0.02 0.00 0.00 177.57 178.31 1lqc h SER 21 N -0.16 0.60 -0.40 0.57 0.02 -1.71 -0.20 113.55 112.26 1lqc h SER 21 Ca -0.01 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1lqc h SER 21 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1lqc h SER 21 CO 0.02 0.43 -0.08 0.03 -1.14 0.00 0.00 176.83 176.09 1lqc h ARG 22 N 0.70 0.76 -0.67 3.45 3.08 -1.34 -3.11 114.38 117.26 1lqc h ARG 22 Ca 0.20 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1lqc h ARG 22 Cb -0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1lqc h ARG 22 CO -0.05 0.89 0.41 0.28 -1.07 0.00 0.00 179.97 180.44 1lqc h VAL 23 N 0.58 1.19 -0.57 2.04 2.07 0.59 -0.44 116.25 121.70 1lqc h VAL 23 Ca 0.10 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1lqc h VAL 23 Cb 0.60 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.51 1lqc h VAL 23 CO 0.04 0.19 -0.10 0.58 0.02 0.00 0.00 177.57 178.30 1lqc h VAL 24 N 0.90 0.46 -0.67 2.57 2.07 -1.03 0.88 116.25 121.44 1lqc h VAL 24 Ca 0.24 -0.01 -0.35 0.00 0.82 0.00 0.00 66.70 67.40 1lqc h VAL 24 Cb -0.05 0.42 -0.21 0.00 -1.52 0.00 0.00 31.29 29.94 1lqc h VAL 24 CO -0.05 0.01 0.28 0.59 0.02 0.00 0.00 177.57 178.42 1lqc n ASN 25 N -5.36 3.12 -1.18 0.57 5.03 -1.14 -4.45 115.26 111.84 1lqc n ASN 25 Ca 0.07 -3.70 -0.15 0.00 0.87 0.00 0.00 54.58 51.67 1lqc n ASN 25 Cb 0.31 -0.74 -0.07 0.00 -1.02 0.00 0.00 39.78 38.27 1lqc n ASN 25 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1lqc n GLN 26 N -1.12 -1.50 -3.25 3.52 7.27 0.30 -3.71 117.38 118.89 1lqc n GLN 26 Ca 0.46 1.04 -0.25 0.00 0.07 0.00 0.00 57.00 58.33 1lqc n GLN 26 Cb 1.36 -5.40 -0.05 0.00 2.41 0.00 0.00 30.24 28.56 1lqc n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1lqc n ALA 27 N 1.29 -0.70 0.00 1.69 0.00 -0.21 -2.41 120.51 120.17 1lqc n ALA 27 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1lqc n ALA 27 Cb 0.61 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1lqc n ALA 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1lqc n SER 28 N -1.08 0.00 -3.68 0.00 3.41 -1.24 -4.63 113.62 106.39 1lqc n SER 28 Ca 0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.44 1lqc n SER 28 Cb 0.26 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.04 1lqc n SER 28 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1lqc s HIS 29 N 0.00 0.37 0.16 7.33 0.09 -1.10 -5.16 115.29 116.97 1lqc s HIS 29 Ca 0.00 -0.17 0.07 0.00 -0.00 0.00 0.00 55.06 54.96 1lqc s HIS 29 Cb 0.00 -0.69 -0.04 0.00 -0.00 0.00 0.00 32.58 31.85 1lqc s HIS 29 CO 0.00 -0.38 -0.16 0.54 -0.00 0.00 0.00 174.74 174.74 1lqc s VAL 30 N 2.07 1.60 0.24 -0.90 0.11 -1.01 -5.11 120.40 117.40 1lqc s VAL 30 Ca 0.03 -1.91 -0.31 0.00 -2.93 0.00 0.00 61.98 56.86 1lqc s VAL 30 Cb -0.14 -1.77 -0.13 0.00 -1.53 0.00 0.00 36.38 32.81 1lqc s VAL 30 CO -0.06 -0.42 1.40 -1.54 -3.33 0.00 0.00 175.10 171.15 1lqc n SER 31 N 0.23 2.73 0.18 3.54 3.41 -1.26 -4.96 113.62 117.49 1lqc n SER 31 Ca -0.13 1.14 -0.14 0.00 -0.26 0.00 0.00 58.87 59.48 1lqc n SER 31 Cb 0.58 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.02 1lqc n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lqc h ALA 32 N 4.21 -0.40 -0.93 7.33 0.00 -2.00 -2.94 119.26 124.52 1lqc h ALA 32 Ca -0.45 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 54.56 1lqc h ALA 32 Cb 1.28 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 1lqc h ALA 32 CO 0.76 -0.68 0.47 -0.22 0.00 0.00 0.00 179.25 179.58 1lqc h LYS 33 N -0.50 0.46 -0.28 0.00 1.63 -2.00 0.11 116.57 115.99 1lqc h LYS 33 Ca -0.04 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1lqc h LYS 33 Cb 0.38 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1lqc h LYS 33 CO 0.07 0.31 0.04 1.15 -3.45 0.00 0.00 179.45 177.57 1lqc h THR 34 N 0.48 0.85 -0.75 1.00 2.02 -1.93 -2.00 112.91 112.57 1lqc h THR 34 Ca 0.59 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.74 1lqc h THR 34 Cb 1.10 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1lqc h THR 34 CO -0.50 0.03 0.49 0.03 0.37 0.00 0.00 175.52 175.93 1lqc h ARG 35 N 0.14 0.94 -0.62 6.66 2.47 -0.76 -2.30 114.38 120.91 1lqc h ARG 35 Ca 0.13 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1lqc h ARG 35 Cb 0.15 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 1lqc h ARG 35 CO -0.18 0.62 0.41 0.93 0.56 0.00 0.00 179.97 182.31 1lqc h GLU 36 N 0.97 0.80 0.07 0.04 3.07 -0.45 0.17 114.58 119.25 1lqc h GLU 36 Ca 0.29 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.94 1lqc h GLU 36 Cb -0.04 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 27.71 1lqc h GLU 36 CO -0.09 0.53 -0.69 -0.22 -1.40 0.00 0.00 179.01 177.14 1lqc h LYS 37 N 0.83 0.34 -0.34 2.33 3.64 -1.13 -1.79 116.57 120.44 1lqc h LYS 37 Ca 0.23 -0.46 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1lqc h LYS 37 Cb -0.08 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1lqc h LYS 37 CO -0.05 1.17 0.10 0.28 -2.27 0.00 0.00 179.45 178.67 1lqc h VAL 38 N -0.26 1.21 -0.81 2.00 2.07 -0.76 -2.22 116.25 117.47 1lqc h VAL 38 Ca -0.11 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1lqc h VAL 38 Cb 1.47 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1lqc h VAL 38 CO 0.13 0.24 0.52 -0.33 0.02 0.00 0.00 177.57 178.15 1lqc h GLU 39 N 0.40 0.97 0.18 1.57 5.08 -0.61 0.39 114.58 122.56 1lqc h GLU 39 Ca 0.11 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1lqc h GLU 39 Cb 0.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1lqc h GLU 39 CO -0.00 0.64 -0.09 0.00 -1.00 0.00 0.00 179.01 178.56 1lqc h ALA 40 N 1.35 -0.24 -0.87 3.43 0.00 -1.04 -2.60 119.26 119.29 1lqc h ALA 40 Ca 0.33 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1lqc h ALA 40 Cb 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1lqc h ALA 40 CO -0.12 -0.57 0.56 0.00 0.00 0.00 0.00 179.25 179.12 1lqc h ALA 41 N 0.43 1.54 0.31 0.00 0.00 -0.81 -3.16 119.26 117.57 1lqc h ALA 41 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1lqc h ALA 41 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1lqc h ALA 41 CO 0.04 0.34 -0.16 0.52 0.00 0.00 0.00 179.25 179.99 1lqc h MET 42 N 0.99 -0.42 -0.88 0.00 2.07 0.15 -1.20 114.93 115.64 1lqc h MET 42 Ca 0.37 0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 58.00 1lqc h MET 42 Cb 0.18 0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 29.97 1lqc h MET 42 CO -0.13 -0.28 0.45 0.00 1.07 0.00 0.00 176.91 178.02 1lqc h ALA 43 N 0.25 1.13 -0.58 6.32 0.00 -1.50 -0.12 119.26 124.77 1lqc h ALA 43 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1lqc h ALA 43 Cb 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1lqc h ALA 43 CO 0.06 0.67 0.17 0.93 0.00 0.00 0.00 179.25 181.08 1lqc h GLU 44 N 1.24 0.87 -0.64 0.00 5.08 -1.39 -1.61 114.58 118.15 1lqc h GLU 44 Ca 0.31 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1lqc h GLU 44 Cb 0.08 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1lqc h GLU 44 CO -0.04 0.76 0.05 1.28 -1.00 0.00 0.00 179.01 180.05 1lqc n LEU 45 N -4.29 5.57 -1.98 1.33 4.77 -0.52 -4.93 117.00 116.95 1lqc n LEU 45 Ca 0.04 -2.84 -0.18 0.00 -0.03 0.00 0.00 56.01 53.01 1lqc n LEU 45 Cb 0.21 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1lqc n LEU 45 CO 0.40 0.64 -0.20 -0.46 -1.33 0.00 0.00 177.39 176.44 1lqc n ASN 46 N 0.47 -4.90 -4.89 -1.43 6.94 -0.60 -4.94 115.26 105.91 1lqc n ASN 46 Ca 0.29 0.24 -0.25 0.00 -0.02 0.00 0.00 54.58 54.84 1lqc n ASN 46 Cb 1.18 -4.24 0.07 0.00 -2.36 0.00 0.00 39.78 34.44 1lqc n ASN 46 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1lqc s TYR 47 N -2.69 2.76 -0.20 -2.53 5.04 -0.10 -5.01 117.35 114.63 1lqc s TYR 47 Ca 0.00 0.32 -0.04 0.00 -2.44 0.00 0.00 57.07 54.91 1lqc s TYR 47 Cb 0.00 -3.15 0.10 0.00 0.35 0.00 0.00 41.96 39.25 1lqc s TYR 47 CO 0.00 -1.40 0.30 -1.50 -1.34 0.00 0.00 175.55 171.61 1lqc s ILE 48 N -3.19 -0.47 -0.54 3.14 -1.16 -1.26 -4.49 121.20 113.22 1lqc s ILE 48 Ca 0.61 0.02 -0.04 0.00 -0.51 0.00 0.00 60.65 60.73 1lqc s ILE 48 Cb -0.10 -0.66 -0.06 0.00 0.61 0.00 0.00 42.46 42.25 1lqc s ILE 48 CO 0.44 -0.07 1.85 -2.65 -2.81 0.00 0.00 174.94 171.69 1lqc n PRO 49 N 5.35 1.43 -2.71 3.50 -0.02 -1.26 -4.21 135.00 137.08 1lqc n PRO 49 Ca -0.05 -1.05 -0.01 0.00 -2.02 0.00 0.00 63.50 60.36 1lqc n PRO 49 Cb 0.50 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1lqc n PRO 49 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1lqc s ASN 50 N 3.51 -0.34 -0.52 2.55 0.02 -1.26 -4.64 114.94 114.27 1lqc s ASN 50 Ca 0.30 -0.31 0.03 0.00 -1.02 0.00 0.00 52.86 51.86 1lqc s ASN 50 Cb 0.09 0.44 0.14 0.00 0.02 0.00 0.00 41.25 41.94 1lqc s ASN 50 CO -0.02 -0.02 0.30 -0.13 0.02 0.00 0.00 177.10 177.25 1lqc s ARG 51 N 1.34 1.74 0.20 -0.60 1.81 -1.26 -5.03 118.95 117.16 1lqc s ARG 51 Ca 0.20 -2.49 -0.12 0.00 -1.72 0.00 0.00 55.73 51.60 1lqc s ARG 51 Cb 0.09 -2.85 0.25 0.00 -0.45 0.00 0.00 34.95 31.99 1lqc s ARG 51 CO -0.12 -1.18 1.67 -0.39 -0.68 0.00 0.00 175.30 174.60 1lqc h VAL 52 N 5.15 0.53 -2.22 3.52 -1.51 -1.98 -2.84 116.25 116.90 1lqc h VAL 52 Ca 0.01 -0.04 -0.75 0.00 -1.23 0.00 0.00 66.70 64.69 1lqc h VAL 52 Cb 0.88 0.41 -0.31 0.00 -2.13 0.00 0.00 31.29 30.15 1lqc h VAL 52 CO 0.60 0.02 0.63 0.00 -1.23 0.00 0.00 177.57 177.58 1lqc n ALA 53 N -2.76 5.79 -1.57 5.19 0.00 -0.52 -4.96 120.51 121.68 1lqc n ALA 53 Ca 0.07 -4.58 -0.48 0.00 0.00 0.00 0.00 53.44 48.46 1lqc n ALA 53 Cb 0.32 -1.81 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 1lqc n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lqc n GLN 54 N -0.16 1.71 -2.46 0.00 -0.00 -1.07 -1.17 117.38 114.23 1lqc n GLN 54 Ca 0.44 0.53 -0.20 0.00 -0.00 0.00 0.00 57.00 57.77 1lqc n GLN 54 Cb 0.30 -2.76 -0.01 0.00 -0.00 0.00 0.00 30.24 27.77 1lqc n GLN 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1lqc n GLN 55 N 7.87 -2.01 0.00 2.61 3.00 -1.26 -5.06 117.38 122.52 1lqc n GLN 55 Ca 0.32 0.96 0.05 0.00 -0.01 0.00 0.00 57.00 58.32 1lqc n GLN 55 Cb 0.32 -5.63 0.05 0.00 0.00 0.00 0.00 30.24 24.97 1lqc n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34