#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfl n HIS 2 N 0.00 1.63 -4.30 6.34 -0.00 -1.26 -4.83 115.22 112.80 1lfl n HIS 2 Ca 0.00 -1.80 -0.33 0.00 -0.00 0.00 0.00 57.72 55.59 1lfl n HIS 2 Cb 0.00 -1.65 -0.09 0.00 -0.00 0.00 0.00 29.99 28.25 1lfl n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1lfl s LEU 3 N 0.78 3.57 0.18 0.27 1.43 -1.26 -5.10 118.68 118.54 1lfl s LEU 3 Ca 0.50 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1lfl s LEU 3 Cb 0.13 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1lfl s LEU 3 CO 0.07 0.32 0.32 0.42 0.23 0.00 0.00 176.35 177.70 1lfl s THR 4 N -1.02 5.30 0.42 5.49 -4.23 -1.26 -4.86 115.64 115.48 1lfl s THR 4 Ca 0.18 -0.72 0.39 0.00 -1.18 0.00 0.00 61.69 60.36 1lfl s THR 4 Cb -0.11 -3.77 0.39 0.00 1.34 0.00 0.00 72.50 70.35 1lfl s THR 4 CO 0.08 -0.16 2.19 1.55 -0.54 0.00 0.00 174.62 177.73 1lfl h PRO 5 N 1.89 0.00 0.00 3.99 0.13 -1.99 0.85 132.00 136.86 1lfl h PRO 5 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1lfl h PRO 5 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1lfl h PRO 5 CO 0.67 0.00 -0.45 0.93 -0.23 0.00 0.00 178.00 178.92 1lfl h GLU 6 N 0.00 0.00 0.00 0.86 4.39 -2.01 -3.06 114.58 114.76 1lfl h GLU 6 Ca 0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 1lfl h GLU 6 Cb 0.04 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.63 1lfl h GLU 6 CO 0.00 0.45 -2.20 0.39 -1.16 0.00 0.00 179.01 176.49 1lfl n GLU 7 N -3.91 0.59 -0.31 2.33 1.02 0.18 -4.27 120.64 116.27 1lfl n GLU 7 Ca -0.01 0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.60 1lfl n GLU 7 Cb 0.49 -1.56 0.31 0.00 -0.02 0.00 0.00 31.44 30.65 1lfl n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1lfl h LYS 8 N -0.94 0.38 0.00 3.49 3.64 0.31 0.40 116.57 123.85 1lfl h LYS 8 Ca -0.60 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 1lfl h LYS 8 Cb 1.55 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1lfl h LYS 8 CO -0.35 0.25 -0.34 0.66 -2.27 0.00 0.00 179.45 177.41 1lfl h SER 9 N 0.39 0.00 -0.05 4.20 4.64 -1.76 -2.11 113.55 118.86 1lfl h SER 9 Ca 0.56 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.73 1lfl h SER 9 Cb 1.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1lfl h SER 9 CO -0.53 0.34 -0.55 0.00 -0.87 0.00 0.00 176.83 175.21 1lfl h ALA 10 N 1.66 0.13 -0.49 5.18 0.00 -0.43 -1.09 119.26 124.23 1lfl h ALA 10 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1lfl h ALA 10 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1lfl h ALA 10 CO 0.04 0.36 0.09 0.28 0.00 0.00 0.00 179.25 180.03 1lfl h VAL 11 N 0.00 1.25 -0.35 0.00 2.07 -1.14 -3.00 116.25 115.09 1lfl h VAL 11 Ca -0.06 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.40 1lfl h VAL 11 Cb 1.23 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1lfl h VAL 11 CO 0.11 0.32 -0.43 0.74 0.02 0.00 0.00 177.57 178.33 1lfl h THR 12 N 0.67 1.28 -1.45 2.57 2.02 -1.45 -2.45 112.91 114.09 1lfl h THR 12 Ca 0.15 -1.61 -0.76 0.00 0.77 0.00 0.00 66.41 64.96 1lfl h THR 12 Cb 0.37 1.46 -0.16 0.00 -1.74 0.00 0.00 68.15 68.09 1lfl h THR 12 CO 0.01 0.53 2.06 0.00 0.37 0.00 0.00 175.52 178.49 1lfl n ALA 13 N -2.55 6.36 0.00 6.16 0.00 -0.41 -1.75 120.51 128.32 1lfl n ALA 13 Ca -0.03 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.17 1lfl n ALA 13 Cb 0.57 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1lfl n ALA 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1lfl n LEU 14 N 1.83 0.00 0.09 0.00 -0.00 -1.23 -4.84 117.00 112.85 1lfl n LEU 14 Ca 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.51 1lfl n LEU 14 Cb 0.27 0.04 0.15 0.00 -0.00 0.00 0.00 43.42 43.89 1lfl n LEU 14 CO 0.69 -0.04 0.52 -0.25 -0.00 0.00 0.00 177.39 178.31 1lfl h TRP 15 N 0.00 0.26 -0.57 1.96 2.91 -1.41 -2.74 115.95 116.36 1lfl h TRP 15 Ca 0.00 -0.09 0.17 0.00 1.13 0.00 0.00 58.89 60.09 1lfl h TRP 15 Cb 0.00 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.58 1lfl h TRP 15 CO 0.00 0.72 0.47 0.78 -1.03 0.00 0.00 178.44 179.38 1lfl h GLY 16 N 1.45 0.00 -5.64 2.65 0.00 -1.58 -2.78 103.07 97.16 1lfl h GLY 16 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1lfl h GLY 16 CO 0.08 0.00 -0.51 0.58 0.00 0.00 0.00 176.54 176.69 1lfl n LYS 17 N -4.08 3.17 -4.80 4.80 2.85 -1.03 -5.02 118.16 114.04 1lfl n LYS 17 Ca 0.11 -4.80 -0.27 0.00 -1.05 0.00 0.00 58.31 52.30 1lfl n LYS 17 Cb 0.70 -2.26 -0.17 0.00 -0.65 0.00 0.00 35.03 32.65 1lfl n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1lfl s VAL 18 N -3.84 1.44 -0.86 0.58 1.01 -1.05 -5.00 120.40 112.67 1lfl s VAL 18 Ca 0.45 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 1lfl s VAL 18 Cb 0.23 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1lfl s VAL 18 CO -0.09 0.42 1.93 0.21 0.00 0.00 0.00 175.10 177.57 1lfl s ASN 19 N 0.48 5.17 0.30 3.32 3.84 -1.26 -4.81 114.94 121.98 1lfl s ASN 19 Ca -0.14 -0.55 0.05 0.00 0.21 0.00 0.00 52.86 52.43 1lfl s ASN 19 Cb -0.16 -2.56 0.73 0.00 -0.55 0.00 0.00 41.25 38.71 1lfl s ASN 19 CO 0.05 -2.68 1.76 0.58 -2.79 0.00 0.00 177.10 174.02 1lfl h VAL 20 N 7.20 0.67 0.28 -5.21 2.07 -1.97 0.51 116.25 119.80 1lfl h VAL 20 Ca 0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1lfl h VAL 20 Cb 1.03 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1lfl h VAL 20 CO 1.21 0.13 -0.13 0.44 0.02 0.00 0.00 177.57 179.24 1lfl h ASP 21 N 0.69 -0.31 0.22 0.57 3.32 -1.95 -3.20 116.42 115.75 1lfl h ASP 21 Ca 0.57 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 1lfl h ASP 21 Cb 0.92 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1lfl h ASP 21 CO -0.41 -0.04 -0.11 -0.08 -1.72 0.00 0.00 179.24 176.89 1lfl h GLU 22 N -0.60 -0.28 -0.73 3.56 4.81 -1.81 -3.32 114.58 116.20 1lfl h GLU 22 Ca -0.04 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1lfl h GLU 22 Cb 0.43 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 1lfl h GLU 22 CO 0.06 0.10 0.39 0.28 -0.73 0.00 0.00 179.01 179.11 1lfl h VAL 23 N -0.80 0.90 0.00 0.32 2.07 -1.07 -2.11 116.25 115.55 1lfl h VAL 23 Ca -0.03 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1lfl h VAL 23 Cb 0.51 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1lfl h VAL 23 CO 0.05 0.12 -0.27 1.23 0.02 0.00 0.00 177.57 178.73 1lfl h GLY 24 N 0.68 0.00 1.83 2.17 0.00 -1.71 -0.26 103.07 105.79 1lfl h GLY 24 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.46 1lfl h GLY 24 CO -0.24 0.00 -1.04 -1.33 0.00 0.00 0.00 176.54 173.93 1lfl h GLY 25 N 0.89 0.15 1.04 4.60 0.00 -1.52 -2.87 103.07 105.36 1lfl h GLY 25 Ca -0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1lfl h GLY 25 CO 0.03 0.31 -0.76 -2.09 0.00 0.00 0.00 176.54 174.04 1lfl h GLU 26 N 0.05 0.64 -0.03 4.80 4.81 -1.03 -1.65 114.58 122.17 1lfl h GLU 26 Ca -0.06 -0.59 0.02 0.00 -0.13 0.00 0.00 59.36 58.60 1lfl h GLU 26 Cb 1.75 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 1lfl h GLU 26 CO 0.15 1.20 -0.08 0.00 -0.73 0.00 0.00 179.01 179.55 1lfl h ALA 27 N 0.45 -0.07 -0.28 2.92 0.00 -1.12 0.29 119.26 121.45 1lfl h ALA 27 Ca -0.07 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1lfl h ALA 27 Cb 1.41 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1lfl h ALA 27 CO 0.15 -0.57 -0.30 1.25 0.00 0.00 0.00 179.25 179.78 1lfl h LEU 28 N -0.13 0.61 -0.47 0.00 5.85 -1.58 -1.77 115.31 117.82 1lfl h LEU 28 Ca 0.04 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1lfl h LEU 28 Cb 0.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1lfl h LEU 28 CO -0.11 0.88 -0.03 1.23 -0.34 0.00 0.00 178.44 180.08 1lfl h GLY 29 N 1.02 0.91 2.00 3.75 0.00 -0.90 -1.67 103.07 108.18 1lfl h GLY 29 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 1lfl h GLY 29 CO 0.06 0.64 -0.48 3.21 0.00 0.00 0.00 176.54 179.97 1lfl h ARG 30 N 0.69 0.00 -0.50 4.80 3.08 -0.33 -0.79 114.38 121.34 1lfl h ARG 30 Ca 0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1lfl h ARG 30 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1lfl h ARG 30 CO 0.03 0.48 0.06 1.25 -1.07 0.00 0.00 179.97 180.72 1lfl h LEU 31 N 0.00 0.80 -0.44 3.04 5.85 -1.06 -1.56 115.31 121.95 1lfl h LEU 31 Ca -0.00 -0.27 -0.16 0.00 0.84 0.00 0.00 57.88 58.29 1lfl h LEU 31 Cb 0.96 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1lfl h LEU 31 CO 0.06 0.87 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.57 1lfl h LEU 32 N 0.70 0.94 -0.16 2.25 4.07 -0.91 -1.46 115.31 120.74 1lfl h LEU 32 Ca 0.15 -0.43 -0.19 0.00 0.08 0.00 0.00 57.88 57.49 1lfl h LEU 32 Cb 0.42 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 41.91 1lfl h LEU 32 CO 0.01 1.21 -0.65 0.58 -1.08 0.00 0.00 178.44 178.51 1lfl h VAL 33 N 0.72 1.30 0.02 1.22 2.07 -1.10 -3.08 116.25 117.39 1lfl h VAL 33 Ca 0.06 -1.88 -0.23 0.00 0.82 0.00 0.00 66.70 65.47 1lfl h VAL 33 Cb 0.97 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1lfl h VAL 33 CO 0.09 0.59 -1.10 0.58 0.02 0.00 0.00 177.57 177.75 1lfl h VAL 34 N 0.42 1.61 -2.21 2.57 2.07 -1.34 -3.37 116.25 116.00 1lfl h VAL 34 Ca -0.04 -3.32 -0.56 0.00 0.82 0.00 0.00 66.70 63.61 1lfl h VAL 34 Cb 1.28 2.82 -0.42 0.00 -1.52 0.00 0.00 31.29 33.45 1lfl h VAL 34 CO 0.14 0.92 -0.78 -1.22 0.02 0.00 0.00 177.57 176.65 1lfl n TYR 35 N -3.34 3.11 -0.36 1.57 4.01 -0.55 -4.98 117.16 116.63 1lfl n TYR 35 Ca -0.03 -3.94 0.29 0.00 -0.16 0.00 0.00 57.90 54.06 1lfl n TYR 35 Cb 0.96 -0.47 0.49 0.00 -0.31 0.00 0.00 39.34 40.01 1lfl n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1lfl n PRO 36 N -0.12 -0.02 0.00 -0.72 -0.04 -1.16 -0.56 135.00 132.37 1lfl n PRO 36 Ca 0.30 0.85 0.05 0.00 -0.04 0.00 0.00 63.50 64.65 1lfl n PRO 36 Cb 0.46 -1.71 0.27 0.00 -0.04 0.00 0.00 33.50 32.47 1lfl n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1lfl n TRP 37 N -3.94 0.00 0.72 0.54 2.14 -1.26 -0.26 117.44 115.37 1lfl n TRP 37 Ca 0.28 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.97 1lfl n TRP 37 Cb 1.14 -0.02 0.10 0.00 -0.81 0.00 0.00 31.31 31.71 1lfl n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1lfl n THR 38 N -1.02 0.15 0.27 -1.67 -2.24 0.27 -3.99 114.28 106.05 1lfl n THR 38 Ca 0.07 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1lfl n THR 38 Cb 0.03 0.22 0.79 0.00 -2.10 0.00 0.00 70.33 69.27 1lfl n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1lfl h GLN 39 N 0.00 0.00 -0.96 -0.78 4.20 -0.83 -3.04 115.11 113.70 1lfl h GLN 39 Ca 0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 1lfl h GLN 39 Cb 0.65 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.32 1lfl h GLN 39 CO 0.00 0.07 0.52 0.07 -0.67 0.00 0.00 178.83 178.82 1lfl h ARG 40 N 0.00 0.55 0.00 1.46 0.11 -1.75 -1.26 114.38 113.48 1lfl h ARG 40 Ca -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1lfl h ARG 40 Cb 0.17 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1lfl h ARG 40 CO 0.01 0.36 0.00 1.19 0.10 0.00 0.00 179.97 181.63 1lfl n PHE 41 N -4.91 0.49 -1.92 4.08 3.01 -1.15 -3.07 117.46 113.99 1lfl n PHE 41 Ca 0.24 0.20 -0.01 0.00 1.01 0.00 0.00 57.45 58.89 1lfl n PHE 41 Cb 0.66 -0.82 0.13 0.00 -0.01 0.00 0.00 39.48 39.44 1lfl n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1lfl n PHE 42 N -1.95 0.64 0.24 1.38 3.01 -0.48 -4.73 117.46 115.57 1lfl n PHE 42 Ca 0.02 -1.51 0.06 0.00 1.01 0.00 0.00 57.45 57.03 1lfl n PHE 42 Cb 0.19 -0.25 0.26 0.00 -0.01 0.00 0.00 39.48 39.67 1lfl n PHE 42 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1lfl n GLU 43 N -0.72 0.05 0.00 -1.08 -0.58 -1.17 -1.18 120.64 115.95 1lfl n GLU 43 Ca 0.21 0.43 0.12 0.00 -0.42 0.00 0.00 57.16 57.50 1lfl n GLU 43 Cb 0.83 -1.62 0.18 0.00 -0.57 0.00 0.00 31.44 30.26 1lfl n GLU 43 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1lfl n SER 44 N -1.72 1.46 0.18 1.62 2.88 -1.26 -4.18 113.62 112.60 1lfl n SER 44 Ca 0.01 -1.16 0.13 0.00 -1.33 0.00 0.00 58.87 56.53 1lfl n SER 44 Cb 0.09 0.33 0.36 0.00 -0.75 0.00 0.00 64.21 64.25 1lfl n SER 44 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1lfl h PHE 45 N 1.66 0.00 0.00 0.66 0.05 -1.52 -3.50 116.94 114.29 1lfl h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1lfl h PHE 45 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.57 1lfl h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1lfl n GLY 46 N 0.91 0.14 3.67 -1.45 0.00 -1.26 -4.76 105.19 102.44 1lfl n GLY 46 Ca 0.04 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1lfl n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lfl s ASP 47 N -4.00 7.14 -0.02 1.61 3.68 -1.26 -4.89 116.67 118.92 1lfl s ASP 47 Ca 0.00 1.46 0.21 0.00 2.13 0.00 0.00 52.55 56.36 1lfl s ASP 47 Cb 0.00 -2.55 0.36 0.00 -1.45 0.00 0.00 42.92 39.29 1lfl s ASP 47 CO 0.00 -0.60 1.14 0.18 0.13 0.00 0.00 175.17 176.03 1lfl n LEU 48 N 5.85 0.67 0.14 -1.34 4.77 -1.26 -4.20 117.00 121.63 1lfl n LEU 48 Ca 0.11 -2.08 0.13 0.00 -0.03 0.00 0.00 56.01 54.14 1lfl n LEU 48 Cb 0.47 0.03 0.32 0.00 -2.33 0.00 0.00 43.42 41.91 1lfl n LEU 48 CO 0.52 0.71 0.83 0.77 -1.33 0.00 0.00 177.39 178.90 1lfl h SER 49 N 0.93 0.00 -5.23 -1.43 4.64 -1.92 -3.45 113.55 107.08 1lfl h SER 49 Ca -0.28 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.91 1lfl h SER 49 Cb 1.77 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.72 1lfl h SER 49 CO 0.04 0.00 -0.53 0.42 -0.87 0.00 0.00 176.83 175.89 1lfl s THR 50 N -3.14 0.17 0.21 2.95 -4.23 -1.26 -5.03 115.64 105.31 1lfl s THR 50 Ca 0.09 -1.56 -0.10 0.00 -1.18 0.00 0.00 61.69 58.95 1lfl s THR 50 Cb 0.10 -1.54 0.15 0.00 1.34 0.00 0.00 72.50 72.55 1lfl s THR 50 CO 0.63 -0.75 1.72 -0.65 -0.54 0.00 0.00 174.62 175.03 1lfl h PRO 51 N 2.92 0.31 -0.42 3.99 0.11 -1.98 0.44 132.00 137.38 1lfl h PRO 51 Ca -0.34 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1lfl h PRO 51 Cb 1.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1lfl h PRO 51 CO 0.60 0.21 0.19 -0.44 -0.21 0.00 0.00 178.00 178.35 1lfl h ASP 52 N 0.32 0.56 -0.78 -2.05 3.32 -1.98 0.56 116.42 116.37 1lfl h ASP 52 Ca 0.31 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.25 1lfl h ASP 52 Cb 0.42 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1lfl h ASP 52 CO -0.35 0.55 0.49 0.00 -1.72 0.00 0.00 179.24 178.21 1lfl h ALA 53 N 1.03 1.02 -0.08 3.45 0.00 -1.68 -0.11 119.26 122.90 1lfl h ALA 53 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1lfl h ALA 53 Cb 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1lfl h ALA 53 CO -0.02 0.28 -0.01 0.28 0.00 0.00 0.00 179.25 179.79 1lfl h VAL 54 N 0.95 1.27 -0.44 0.00 2.07 -0.55 -2.54 116.25 117.01 1lfl h VAL 54 Ca 0.31 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1lfl h VAL 54 Cb 0.03 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1lfl h VAL 54 CO -0.12 0.24 0.07 0.24 0.02 0.00 0.00 177.57 178.02 1lfl h MET 55 N -0.16 0.73 -0.00 1.57 2.07 -0.61 -3.11 114.93 115.42 1lfl h MET 55 Ca 0.02 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 1lfl h MET 55 Cb 0.38 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.02 1lfl h MET 55 CO 0.01 0.76 -0.10 0.41 1.07 0.00 0.00 176.91 179.06 1lfl n GLY 56 N -0.50 -1.23 3.62 8.32 0.00 -0.08 -4.78 105.19 110.53 1lfl n GLY 56 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1lfl n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lfl s ASN 57 N -2.72 5.94 0.50 1.61 3.84 -0.96 -4.86 114.94 118.29 1lfl s ASN 57 Ca 0.22 1.88 0.30 0.00 0.21 0.00 0.00 52.86 55.48 1lfl s ASN 57 Cb 0.19 -2.52 1.65 0.00 -0.55 0.00 0.00 41.25 40.02 1lfl s ASN 57 CO 0.52 -1.57 1.92 1.55 -2.79 0.00 0.00 177.10 176.72 1lfl h PRO 58 N 12.78 0.00 0.08 0.43 0.13 -1.90 -1.46 132.00 142.06 1lfl h PRO 58 Ca -0.40 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 1lfl h PRO 58 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1lfl h PRO 58 CO 0.98 0.00 -0.89 0.87 -0.23 0.00 0.00 178.00 178.73 1lfl h LYS 59 N 0.00 0.45 0.49 0.86 1.79 -1.89 -2.22 116.57 116.05 1lfl h LYS 59 Ca 0.00 -0.60 -0.02 0.00 -2.18 0.00 0.00 60.65 57.85 1lfl h LYS 59 Cb 0.17 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1lfl h LYS 59 CO 0.00 1.24 -0.24 0.28 -1.08 0.00 0.00 179.45 179.66 1lfl h VAL 60 N -0.05 0.49 -0.30 0.50 2.07 -1.59 -0.20 116.25 117.17 1lfl h VAL 60 Ca -0.13 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1lfl h VAL 60 Cb 1.62 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 1lfl h VAL 60 CO 0.17 0.04 -0.14 0.11 0.02 0.00 0.00 177.57 177.77 1lfl h LYS 61 N -0.79 -0.09 -0.93 1.57 1.57 -1.59 0.78 116.57 117.10 1lfl h LYS 61 Ca -0.07 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1lfl h LYS 61 Cb 0.56 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1lfl h LYS 61 CO 0.11 -0.06 0.60 0.00 -0.57 0.00 0.00 179.45 179.54 1lfl h ALA 62 N 1.16 1.51 0.05 3.86 0.00 -1.33 -1.17 119.26 123.34 1lfl h ALA 62 Ca 0.15 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 1lfl h ALA 62 Cb 0.32 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1lfl h ALA 62 CO -0.36 0.34 -1.08 1.25 0.00 0.00 0.00 179.25 179.40 1lfl h HIS 63 N 1.04 0.74 -0.96 0.00 -0.00 0.36 -3.19 115.15 113.13 1lfl h HIS 63 Ca 0.41 -0.44 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1lfl h HIS 63 Cb 0.24 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 1lfl h HIS 63 CO -0.00 1.28 0.64 0.78 -0.00 0.00 0.00 177.93 180.63 1lfl h GLY 64 N 0.98 1.37 0.29 5.26 0.00 0.12 -1.27 103.07 109.82 1lfl h GLY 64 Ca -0.12 -0.50 0.14 0.00 0.00 0.00 0.00 47.33 46.85 1lfl h GLY 64 CO 0.19 0.48 0.49 1.70 0.00 0.00 0.00 176.54 179.40 1lfl h LYS 65 N 1.29 0.69 -0.40 4.80 3.64 -1.24 -0.00 116.57 125.34 1lfl h LYS 65 Ca 0.36 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1lfl h LYS 65 Cb -0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1lfl h LYS 65 CO -0.09 0.46 -0.06 0.87 -2.27 0.00 0.00 179.45 178.36 1lfl h LYS 66 N 0.72 0.76 0.36 1.90 1.57 -1.24 -2.73 116.57 117.89 1lfl h LYS 66 Ca 0.47 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1lfl h LYS 66 Cb 0.62 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1lfl h LYS 66 CO -0.33 0.87 -0.41 0.28 -0.57 0.00 0.00 179.45 179.28 1lfl h VAL 67 N 0.57 0.00 -1.06 0.50 2.07 -0.41 -2.12 116.25 115.81 1lfl h VAL 67 Ca 0.11 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.91 1lfl h VAL 67 Cb 0.57 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 1lfl h VAL 67 CO 0.03 0.00 0.69 -0.07 0.02 0.00 0.00 177.57 178.25 1lfl h LEU 68 N -0.78 0.37 -0.82 2.57 3.38 -1.28 0.52 115.31 119.27 1lfl h LEU 68 Ca -0.04 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1lfl h LEU 68 Cb 0.69 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1lfl h LEU 68 CO -0.08 0.07 0.07 1.23 0.09 0.00 0.00 178.44 179.81 1lfl h GLY 69 N 0.33 1.02 1.68 0.83 0.00 -1.10 1.24 103.07 107.07 1lfl h GLY 69 Ca 0.59 -0.67 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1lfl h GLY 69 CO -0.25 0.62 -0.62 0.00 0.00 0.00 0.00 176.54 176.29 1lfl h ALA 70 N 1.18 0.77 -0.62 3.60 0.00 0.50 -1.37 119.26 123.31 1lfl h ALA 70 Ca 0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1lfl h ALA 70 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1lfl h ALA 70 CO 0.01 0.73 0.18 0.35 0.00 0.00 0.00 179.25 180.52 1lfl h PHE 71 N 0.24 1.02 -0.36 0.00 3.57 0.32 -2.65 116.94 119.08 1lfl h PHE 71 Ca -0.01 -0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.46 1lfl h PHE 71 Cb 1.15 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 1lfl h PHE 71 CO 0.03 0.85 -0.18 0.77 -2.23 0.00 0.00 178.31 177.55 1lfl h SER 72 N 0.90 -0.60 -0.83 0.41 0.02 0.24 -0.02 113.55 113.66 1lfl h SER 72 Ca 0.20 0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.40 1lfl h SER 72 Cb 0.32 0.33 -0.08 0.00 0.14 0.00 0.00 62.40 63.11 1lfl h SER 72 CO -0.00 -0.21 0.47 0.44 -1.14 0.00 0.00 176.83 176.38 1lfl h ASP 73 N -0.12 0.64 -0.33 3.07 3.32 -0.95 -2.51 116.42 119.55 1lfl h ASP 73 Ca 0.18 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1lfl h ASP 73 Cb 0.39 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1lfl h ASP 73 CO -0.44 0.35 -0.42 1.23 -1.72 0.00 0.00 179.24 178.24 1lfl h GLY 74 N 0.75 -1.26 0.24 2.75 0.00 -0.67 -0.02 103.07 104.87 1lfl h GLY 74 Ca 0.42 0.76 0.19 0.00 0.00 0.00 0.00 47.33 48.69 1lfl h GLY 74 CO -0.28 -0.28 0.61 1.41 0.00 0.00 0.00 176.54 178.01 1lfl h LEU 75 N -0.28 0.61 0.00 3.11 4.07 -1.26 0.75 115.31 122.32 1lfl h LEU 75 Ca 0.06 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1lfl h LEU 75 Cb 0.44 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1lfl h LEU 75 CO -0.46 0.24 0.00 0.00 -1.08 0.00 0.00 178.44 177.15 1lfl n ALA 76 N -2.42 2.32 -2.69 1.53 0.00 -0.09 -3.59 120.51 115.56 1lfl n ALA 76 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 1lfl n ALA 76 Cb 0.62 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.85 1lfl n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 77 N -0.92 -1.45 -0.10 0.00 8.25 0.25 -4.97 115.22 116.29 1lfl n HIS 77 Ca 0.14 -2.14 0.07 0.00 -0.26 0.00 0.00 57.72 55.53 1lfl n HIS 77 Cb 0.07 1.06 0.41 0.00 1.12 0.00 0.00 29.99 32.64 1lfl n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lfl h LEU 78 N 2.22 0.54 -0.79 2.41 4.07 -1.37 -2.11 115.31 120.28 1lfl h LEU 78 Ca -0.24 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1lfl h LEU 78 Cb 1.27 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1lfl h LEU 78 CO 0.08 0.36 0.00 0.47 -1.08 0.00 0.00 178.44 178.26 1lfl n ASP 79 N -4.47 0.65 -2.67 -0.43 9.92 -1.26 -0.71 116.55 117.58 1lfl n ASP 79 Ca 0.08 -1.66 -0.04 0.00 -0.53 0.00 0.00 54.79 52.64 1lfl n ASP 79 Cb 0.21 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.44 1lfl n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1lfl n ASN 80 N -0.04 -1.27 -0.06 -2.24 5.15 -0.80 -5.01 115.26 110.99 1lfl n ASN 80 Ca 0.00 -1.91 -0.04 0.00 -0.60 0.00 0.00 54.58 52.03 1lfl n ASN 80 Cb 0.16 1.15 0.18 0.00 -0.53 0.00 0.00 39.78 40.74 1lfl n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lfl h LEU 81 N 1.93 0.65 -0.27 1.20 3.38 -1.67 -2.01 115.31 118.51 1lfl h LEU 81 Ca -0.38 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.45 1lfl h LEU 81 Cb 1.22 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1lfl h LEU 81 CO -0.06 0.78 0.05 0.11 0.09 0.00 0.00 178.44 179.42 1lfl h LYS 82 N 0.61 0.15 -0.31 1.13 1.57 -1.91 0.44 116.57 118.25 1lfl h LYS 82 Ca 0.11 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1lfl h LYS 82 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1lfl h LYS 82 CO 0.03 0.10 -0.26 0.78 -0.57 0.00 0.00 179.45 179.53 1lfl h GLY 83 N 0.16 0.78 0.79 3.86 0.00 -1.95 0.13 103.07 106.83 1lfl h GLY 83 Ca 0.13 -0.77 0.09 0.00 0.00 0.00 0.00 47.33 46.78 1lfl h GLY 83 CO -0.17 0.70 0.55 -0.84 0.00 0.00 0.00 176.54 176.78 1lfl h THR 84 N 0.47 0.97 -0.17 4.70 2.02 -0.80 -2.84 112.91 117.27 1lfl h THR 84 Ca 0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1lfl h THR 84 Cb 0.82 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1lfl h THR 84 CO 0.07 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.60 1lfl n PHE 85 N -4.51 0.20 -0.26 3.16 3.01 0.15 -4.64 117.46 114.56 1lfl n PHE 85 Ca 0.14 -0.13 -0.05 0.00 1.01 0.00 0.00 57.45 58.43 1lfl n PHE 85 Cb 0.30 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1lfl n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lfl h ALA 86 N 3.69 -0.08 0.20 4.37 0.00 -0.49 0.20 119.26 127.15 1lfl h ALA 86 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1lfl h ALA 86 Cb 0.82 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1lfl h ALA 86 CO 0.00 -0.71 -0.10 1.15 0.00 0.00 0.00 179.25 179.59 1lfl h THR 87 N -0.13 0.79 -0.23 0.00 2.02 -1.82 -1.80 112.91 111.74 1lfl h THR 87 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1lfl h THR 87 Cb 0.56 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1lfl h THR 87 CO -0.77 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 175.15 1lfl h LEU 88 N -0.28 0.27 0.56 2.58 3.38 -1.72 -1.59 115.31 118.51 1lfl h LEU 88 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1lfl h LEU 88 Cb 0.22 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1lfl h LEU 88 CO 0.04 0.24 -0.27 -1.28 0.09 0.00 0.00 178.44 177.26 1lfl h SER 89 N 0.31 -0.64 -0.83 -0.43 0.87 -0.19 -1.28 113.55 111.36 1lfl h SER 89 Ca 0.08 -0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.79 1lfl h SER 89 Cb 0.05 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1lfl h SER 89 CO -0.01 -0.35 0.55 -0.33 -0.53 0.00 0.00 176.83 176.16 1lfl h GLU 90 N -0.91 0.40 0.43 2.24 5.08 -1.03 -2.28 114.58 118.51 1lfl h GLU 90 Ca -0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1lfl h GLU 90 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1lfl h GLU 90 CO 0.13 0.26 -0.21 1.25 -1.00 0.00 0.00 179.01 179.44 1lfl h LEU 91 N 0.41 -0.49 -2.02 1.33 5.85 -0.86 -2.38 115.31 117.15 1lfl h LEU 91 Ca 0.42 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1lfl h LEU 91 Cb 1.02 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1lfl h LEU 91 CO -0.15 -0.20 -0.08 0.45 -0.34 0.00 0.00 178.44 178.13 1lfl h HIS 92 N -0.78 0.00 0.00 1.25 3.86 -0.71 -0.85 115.15 117.93 1lfl h HIS 92 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1lfl h HIS 92 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1lfl h HIS 92 CO -0.00 0.08 0.00 0.00 0.86 0.00 0.00 177.93 178.87 1lfl h ASP 94 N 0.00 -0.64 0.28 0.00 3.45 -1.56 -0.75 116.42 117.20 1lfl h ASP 94 Ca 0.00 0.11 -0.33 0.00 0.43 0.00 0.00 57.03 57.23 1lfl h ASP 94 Cb 0.00 0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 1lfl h ASP 94 CO 0.00 -0.26 -1.80 0.11 -1.57 0.00 0.00 179.24 175.72 1lfl h LYS 95 N -0.26 0.23 0.00 3.56 1.79 -1.60 -3.40 116.57 116.89 1lfl h LYS 95 Ca 0.10 -0.39 -0.04 0.00 -2.18 0.00 0.00 60.65 58.14 1lfl h LYS 95 Cb 0.41 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1lfl h LYS 95 CO -0.28 1.06 -1.99 1.28 -1.08 0.00 0.00 179.45 178.43 1lfl n LEU 96 N -3.40 0.05 -3.58 2.94 4.77 -0.36 -5.02 117.00 112.39 1lfl n LEU 96 Ca -0.24 0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.51 1lfl n LEU 96 Cb 1.05 0.05 0.05 0.00 -2.33 0.00 0.00 43.42 42.24 1lfl n LEU 96 CO 0.46 0.04 -0.05 1.41 -1.33 0.00 0.00 177.39 177.93 1lfl n HIS 97 N -2.33 -2.05 -3.66 -1.77 8.25 0.92 -4.94 115.22 109.64 1lfl n HIS 97 Ca -0.07 0.66 -0.37 0.00 -0.26 0.00 0.00 57.72 57.68 1lfl n HIS 97 Cb 0.63 -3.86 -0.10 0.00 1.12 0.00 0.00 29.99 27.79 1lfl n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lfl s VAL 98 N -3.51 5.34 -0.06 1.59 1.01 0.15 -5.00 120.40 119.92 1lfl s VAL 98 Ca 0.34 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1lfl s VAL 98 Cb -0.10 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1lfl s VAL 98 CO 0.82 0.34 2.00 -0.62 0.00 0.00 0.00 175.10 177.63 1lfl s ASP 99 N 1.13 6.17 0.50 3.32 3.68 -1.26 -4.73 116.67 125.48 1lfl s ASP 99 Ca 0.07 2.35 0.24 0.00 2.13 0.00 0.00 52.55 57.34 1lfl s ASP 99 Cb -0.14 -2.52 1.28 0.00 -1.45 0.00 0.00 42.92 40.09 1lfl s ASP 99 CO 0.05 -1.33 1.68 -0.65 0.13 0.00 0.00 175.17 175.06 1lfl h PRO 100 N 11.85 0.00 -0.47 4.34 0.11 -1.96 0.31 132.00 146.18 1lfl h PRO 100 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1lfl h PRO 100 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1lfl h PRO 100 CO 0.95 0.00 0.30 1.49 -0.21 0.00 0.00 178.00 180.53 1lfl h GLU 101 N 0.00 0.62 0.00 1.05 4.57 -1.99 -1.53 114.58 117.29 1lfl h GLU 101 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1lfl h GLU 101 Cb 0.54 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1lfl h GLU 101 CO 0.00 0.42 0.00 -0.91 -1.18 0.00 0.00 179.01 177.34 1lfl h ASN 102 N 0.63 0.00 -0.11 1.04 2.35 -1.30 -2.54 115.58 115.65 1lfl h ASN 102 Ca 0.17 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1lfl h ASN 102 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1lfl h ASN 102 CO -0.04 0.00 -0.29 -0.26 -1.65 0.00 0.00 177.43 175.20 1lfl h PHE 103 N 0.00 0.66 -0.27 1.19 0.04 -1.43 -1.02 116.94 116.10 1lfl h PHE 103 Ca 0.00 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.56 1lfl h PHE 103 Cb 0.46 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1lfl h PHE 103 CO 0.00 0.80 -0.05 0.00 -0.60 0.00 0.00 178.31 178.47 1lfl h ARG 104 N 0.50 0.51 0.16 1.51 3.08 -1.54 -2.39 114.38 116.21 1lfl h ARG 104 Ca 0.06 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1lfl h ARG 104 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1lfl h ARG 104 CO 0.06 0.71 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.46 1lfl h LEU 105 N 0.27 -0.35 -2.38 3.04 3.38 -1.42 -2.00 115.31 115.85 1lfl h LEU 105 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1lfl h LEU 105 Cb 0.50 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1lfl h LEU 105 CO 0.02 -0.21 -0.00 0.25 0.09 0.00 0.00 178.44 178.59 1lfl h LEU 106 N -0.31 0.00 -0.46 1.67 5.85 -1.19 -1.50 115.31 119.37 1lfl h LEU 106 Ca -0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1lfl h LEU 106 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1lfl h LEU 106 CO -0.02 0.00 -0.48 1.23 -0.34 0.00 0.00 178.44 178.83 1lfl h GLY 107 N 0.02 0.81 1.28 3.75 0.00 -0.83 -1.14 103.07 106.96 1lfl h GLY 107 Ca -0.00 -0.88 -0.22 0.00 0.00 0.00 0.00 47.33 46.23 1lfl h GLY 107 CO 0.00 0.79 -0.79 3.43 0.00 0.00 0.00 176.54 179.98 1lfl h ASN 108 N 0.59 0.84 -0.61 0.19 4.21 -0.87 -2.28 115.58 117.64 1lfl h ASN 108 Ca 0.03 -0.56 -0.05 0.00 1.21 0.00 0.00 56.30 56.93 1lfl h ASN 108 Cb 1.04 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.97 1lfl h ASN 108 CO 0.10 1.35 0.20 0.58 -1.29 0.00 0.00 177.43 178.37 1lfl h VAL 109 N 0.48 1.24 -0.63 2.81 2.07 -1.40 -1.90 116.25 118.92 1lfl h VAL 109 Ca -0.05 -0.82 0.10 0.00 0.82 0.00 0.00 66.70 66.75 1lfl h VAL 109 Cb 1.41 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1lfl h VAL 109 CO 0.16 0.31 0.42 0.25 0.02 0.00 0.00 177.57 178.73 1lfl h LEU 110 N 0.87 0.40 -0.33 2.57 5.85 -1.05 0.13 115.31 123.75 1lfl h LEU 110 Ca 0.20 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1lfl h LEU 110 Cb 0.28 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1lfl h LEU 110 CO -0.01 0.24 -0.27 0.58 -0.34 0.00 0.00 178.44 178.64 1lfl h VAL 111 N 0.45 0.51 0.16 1.05 2.07 -0.77 -2.65 116.25 117.06 1lfl h VAL 111 Ca 0.29 -1.54 -0.31 0.00 0.82 0.00 0.00 66.70 65.96 1lfl h VAL 111 Cb 0.53 2.11 0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1lfl h VAL 111 CO -0.08 0.27 -1.30 0.00 0.02 0.00 0.00 177.57 176.47 1lfl h VAL 113 N 0.24 1.05 -0.73 0.00 2.07 -1.17 0.29 116.25 118.00 1lfl h VAL 113 Ca -0.21 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1lfl h VAL 113 Cb 1.98 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1lfl h VAL 113 CO 0.25 0.05 0.40 -0.07 0.02 0.00 0.00 177.57 178.21 1lfl h LEU 114 N 0.15 0.90 0.23 2.57 3.38 -1.57 0.11 115.31 121.08 1lfl h LEU 114 Ca 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lfl h LEU 114 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1lfl h LEU 114 CO -0.01 0.72 -0.16 0.00 0.09 0.00 0.00 178.44 179.08 1lfl h ALA 115 N 1.42 -0.38 -0.28 1.53 0.00 -0.95 -0.44 119.26 120.17 1lfl h ALA 115 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1lfl h ALA 115 Cb 0.02 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1lfl h ALA 115 CO -0.04 -0.73 0.19 1.25 0.00 0.00 0.00 179.25 179.92 1lfl h HIS 116 N -0.40 0.36 0.01 0.00 -0.00 0.05 -1.10 115.15 114.06 1lfl h HIS 116 Ca -0.02 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.21 1lfl h HIS 116 Cb 0.34 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1lfl h HIS 116 CO -0.10 0.23 -0.58 1.25 -0.00 0.00 0.00 177.93 178.72 1lfl h HIS 117 N 0.38 0.58 -0.21 5.26 6.17 -0.17 -3.35 115.15 123.81 1lfl h HIS 117 Ca 0.10 -0.32 0.00 0.00 0.71 0.00 0.00 60.37 60.87 1lfl h HIS 117 Cb -0.04 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 29.82 1lfl h HIS 117 CO 0.00 1.14 0.00 1.19 0.71 0.00 0.00 177.93 180.97 1lfl n PHE 118 N -4.24 0.25 -0.80 5.26 3.01 -0.23 -5.05 117.46 115.66 1lfl n PHE 118 Ca -0.10 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1lfl n PHE 118 Cb 0.67 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 1lfl n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lfl n GLY 119 N 1.43 2.59 0.09 1.37 0.00 -0.42 -1.15 105.19 109.10 1lfl n GLY 119 Ca 0.17 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1lfl n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lfl n LYS 120 N 14.00 0.08 0.23 1.61 2.85 -1.26 -1.31 118.16 134.36 1lfl n LYS 120 Ca 0.00 0.57 0.10 0.00 -1.05 0.00 0.00 58.31 57.93 1lfl n LYS 120 Cb 0.00 -1.76 0.49 0.00 -0.65 0.00 0.00 35.03 33.11 1lfl n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1lfl h GLU 121 N 0.00 0.00 -5.01 -1.58 4.81 -1.52 -3.33 114.58 107.94 1lfl h GLU 121 Ca 0.00 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.53 1lfl h GLU 121 Cb 0.02 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 1lfl h GLU 121 CO 0.00 0.21 2.37 0.34 -0.73 0.00 0.00 179.01 181.20 1lfl n PHE 122 N -3.42 4.25 -2.16 0.92 7.35 -0.43 -4.93 117.46 119.04 1lfl n PHE 122 Ca -0.00 -2.94 -0.32 0.00 -0.76 0.00 0.00 57.45 53.43 1lfl n PHE 122 Cb 0.41 -2.51 -0.01 0.00 0.35 0.00 0.00 39.48 37.71 1lfl n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfl s THR 123 N 3.33 4.44 0.21 -2.13 -4.23 -1.25 -4.73 115.64 111.28 1lfl s THR 123 Ca 0.50 1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 61.90 1lfl s THR 123 Cb 0.07 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.45 1lfl s THR 123 CO 0.02 -0.78 1.60 -0.65 -0.54 0.00 0.00 174.62 174.26 1lfl h PRO 124 N 0.44 -0.06 -0.61 3.99 0.11 -1.94 0.58 132.00 134.51 1lfl h PRO 124 Ca -0.46 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 1lfl h PRO 124 Cb 1.19 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1lfl h PRO 124 CO 0.61 -0.04 0.40 -1.35 -0.21 0.00 0.00 178.00 177.41 1lfl h PRO 125 N -0.06 0.64 0.27 1.05 0.11 -1.99 0.40 132.00 132.42 1lfl h PRO 125 Ca 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1lfl h PRO 125 Cb 0.55 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1lfl h PRO 125 CO -0.74 0.42 -0.13 0.28 -0.21 0.00 0.00 178.00 177.63 1lfl h VAL 126 N 0.66 0.71 -0.89 3.15 2.07 -0.47 -2.15 116.25 119.34 1lfl h VAL 126 Ca 0.25 -0.75 0.18 0.00 0.82 0.00 0.00 66.70 67.20 1lfl h VAL 126 Cb 0.17 1.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.92 1lfl h VAL 126 CO -0.07 0.14 0.44 -0.61 0.02 0.00 0.00 177.57 177.49 1lfl h GLN 127 N -0.80 0.54 0.25 1.57 4.15 0.43 -0.81 115.11 120.44 1lfl h GLN 127 Ca -0.04 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1lfl h GLN 127 Cb 0.51 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1lfl h GLN 127 CO 0.06 0.35 -0.20 0.00 -1.93 0.00 0.00 178.83 177.12 1lfl h ALA 128 N 1.63 -0.44 -0.85 3.38 0.00 -0.15 0.15 119.26 122.98 1lfl h ALA 128 Ca 0.52 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.52 1lfl h ALA 128 Cb 0.85 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 1lfl h ALA 128 CO -0.43 -0.77 0.40 0.00 0.00 0.00 0.00 179.25 178.45 1lfl h ALA 129 N 0.25 1.29 -0.25 0.00 0.00 -0.49 -1.96 119.26 118.09 1lfl h ALA 129 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1lfl h ALA 129 Cb 0.40 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1lfl h ALA 129 CO -0.01 -0.19 -0.56 1.88 0.00 0.00 0.00 179.25 180.38 1lfl h TYR 130 N 0.52 0.95 -0.22 0.00 0.05 -0.72 -2.58 116.97 114.97 1lfl h TYR 130 Ca 0.48 -0.34 0.06 0.00 0.05 0.00 0.00 58.73 58.99 1lfl h TYR 130 Cb 0.77 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1lfl h TYR 130 CO -0.12 1.14 0.19 1.96 -1.05 0.00 0.00 178.16 180.28 1lfl h GLN 131 N 0.58 0.00 0.13 4.88 1.08 0.05 0.11 115.11 121.95 1lfl h GLN 131 Ca 0.01 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.93 1lfl h GLN 131 Cb 1.14 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.60 1lfl h GLN 131 CO 0.12 0.00 -1.16 0.87 -0.95 0.00 0.00 178.83 177.71 1lfl h LYS 132 N 0.00 0.55 -0.48 1.46 1.57 -1.17 -2.63 116.57 115.86 1lfl h LYS 132 Ca 0.11 -0.77 -0.06 0.00 -1.87 0.00 0.00 60.65 58.05 1lfl h LYS 132 Cb 0.48 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1lfl h LYS 132 CO -0.00 1.35 0.06 0.28 -0.57 0.00 0.00 179.45 180.57 1lfl h VAL 133 N 0.13 1.25 -0.27 0.50 2.07 -0.80 -1.32 116.25 117.82 1lfl h VAL 133 Ca -0.18 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1lfl h VAL 133 Cb 1.86 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1lfl h VAL 133 CO 0.22 0.34 -0.21 -0.37 0.02 0.00 0.00 177.57 177.57 1lfl h VAL 134 N 0.68 1.25 -0.42 2.57 -1.51 -1.13 -0.45 116.25 117.25 1lfl h VAL 134 Ca 0.14 -1.18 -0.11 0.00 -1.23 0.00 0.00 66.70 64.32 1lfl h VAL 134 Cb 0.42 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1lfl h VAL 134 CO 0.01 0.38 -0.18 0.00 -1.23 0.00 0.00 177.57 176.55 1lfl h ALA 135 N 1.34 0.58 -0.51 5.19 0.00 -1.25 -1.62 119.26 122.99 1lfl h ALA 135 Ca 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1lfl h ALA 135 Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1lfl h ALA 135 CO 0.04 0.53 0.23 0.78 0.00 0.00 0.00 179.25 180.83 1lfl h GLY 136 N 0.68 0.81 1.30 0.00 0.00 -0.89 -0.91 103.07 104.06 1lfl h GLY 136 Ca 0.10 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1lfl h GLY 136 CO 0.06 0.40 0.12 -2.08 0.00 0.00 0.00 176.54 175.04 1lfl h VAL 137 N 0.69 1.23 -0.17 4.60 2.07 -1.01 -1.05 116.25 122.61 1lfl h VAL 137 Ca 0.17 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1lfl h VAL 137 Cb 0.16 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1lfl h VAL 137 CO -0.02 0.32 0.05 0.00 0.02 0.00 0.00 177.57 177.94 1lfl h ALA 138 N 1.30 0.22 -0.26 1.67 0.00 -0.88 -1.97 119.26 119.33 1lfl h ALA 138 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lfl h ALA 138 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1lfl h ALA 138 CO 0.00 -0.14 0.13 -0.91 0.00 0.00 0.00 179.25 178.33 1lfl h ASN 139 N 0.09 0.20 -0.24 0.00 2.35 -0.97 -2.14 115.58 114.87 1lfl h ASN 139 Ca 0.05 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1lfl h ASN 139 Cb 0.25 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.52 1lfl h ASN 139 CO -0.00 0.15 -0.49 0.00 -1.65 0.00 0.00 177.43 175.45 1lfl h ALA 140 N 1.13 -0.68 0.00 -0.83 0.00 -1.02 0.11 119.26 117.96 1lfl h ALA 140 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1lfl h ALA 140 Cb 0.02 0.94 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1lfl h ALA 140 CO -0.07 -0.99 0.00 -0.07 0.00 0.00 0.00 179.25 178.12 1lfl h LEU 141 N -0.47 0.00 0.00 0.00 3.38 -1.14 -1.88 115.31 115.21 1lfl h LEU 141 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1lfl h LEU 141 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1lfl h LEU 141 CO -0.49 0.00 -1.56 0.00 0.09 0.00 0.00 178.44 176.49 1lfl n ALA 142 N -1.96 2.59 -0.34 1.53 0.00 -0.13 -4.47 120.51 117.73 1lfl n ALA 142 Ca -0.02 -0.43 0.15 0.00 0.00 0.00 0.00 53.44 53.14 1lfl n ALA 142 Cb 0.09 -0.89 0.34 0.00 0.00 0.00 0.00 19.45 18.99 1lfl n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1lfl h HIS 143 N 0.00 1.00 -0.18 0.00 6.17 -0.01 -1.39 115.15 120.75 1lfl h HIS 143 Ca -0.03 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1lfl h HIS 143 Cb 1.08 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.72 1lfl h HIS 143 CO 0.00 0.14 0.00 1.17 0.71 0.00 0.00 177.93 179.95 1lfl n LYS 144 N -4.85 1.67 -1.75 5.26 3.00 -1.26 -4.90 118.16 115.33 1lfl n LYS 144 Ca 0.25 -0.75 -0.31 0.00 -0.00 0.00 0.00 58.31 57.50 1lfl n LYS 144 Cb 0.65 -1.36 0.05 0.00 0.00 0.00 0.00 35.03 34.36 1lfl n LYS 144 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1lfl s TYR 145 N -1.64 3.28 0.00 5.64 2.02 -0.52 -4.65 117.35 121.48 1lfl s TYR 145 Ca 0.14 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 1lfl s TYR 145 Cb 0.08 -2.94 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 1lfl s TYR 145 CO 0.07 -1.16 0.00 -2.39 -1.57 0.00 0.00 175.55 170.50