#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1flp s LEU 2 N 0.00 -0.37 0.69 2.46 2.96 -1.26 -4.90 118.68 118.26 1flp s LEU 2 Ca 0.00 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1flp s LEU 2 Cb 0.00 0.67 0.03 0.00 0.50 0.00 0.00 46.19 47.39 1flp s LEU 2 CO 0.00 -0.37 1.05 -1.83 -1.32 0.00 0.00 176.35 173.89 1flp s GLU 3 N 2.41 2.64 0.23 1.98 -1.05 -1.26 -4.91 118.70 118.75 1flp s GLU 3 Ca 0.10 0.20 -0.06 0.00 -0.15 0.00 0.00 54.97 55.05 1flp s GLU 3 Cb -0.14 -2.09 0.30 0.00 -0.44 0.00 0.00 34.13 31.76 1flp s GLU 3 CO -0.28 -1.07 1.85 0.00 0.95 0.00 0.00 175.26 176.71 1flp h ALA 4 N -0.60 1.12 -0.60 -0.84 0.00 -2.01 -1.35 119.26 114.97 1flp h ALA 4 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1flp h ALA 4 Cb 1.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1flp h ALA 4 CO 0.63 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 180.15 1flp h ALA 5 N 1.38 0.84 -0.63 0.00 0.00 -1.99 -1.54 119.26 117.32 1flp h ALA 5 Ca 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1flp h ALA 5 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1flp h ALA 5 CO -0.16 0.67 0.32 1.96 0.00 0.00 0.00 179.25 182.04 1flp h GLN 6 N 0.97 0.90 -0.66 0.00 4.20 -1.77 -1.57 115.11 117.18 1flp h GLN 6 Ca 0.17 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1flp h GLN 6 Cb 0.56 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1flp h GLN 6 CO 0.03 0.70 0.09 0.87 -0.67 0.00 0.00 178.83 179.86 1flp h LYS 7 N 0.86 1.11 -0.59 1.46 1.57 -1.08 -1.95 116.57 117.96 1flp h LYS 7 Ca 0.22 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1flp h LYS 7 Cb 0.09 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1flp h LYS 7 CO -0.03 1.02 0.30 1.03 -0.57 0.00 0.00 179.45 181.20 1flp h SER 8 N 1.03 0.77 -0.44 0.86 0.87 -1.08 -1.73 113.55 113.82 1flp h SER 8 Ca 0.20 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1flp h SER 8 Cb 0.46 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1flp h SER 8 CO 0.02 0.67 0.24 -1.13 -0.53 0.00 0.00 176.83 176.09 1flp h ASN 9 N 0.81 0.56 -0.29 6.23 -1.24 -1.13 -0.60 115.58 119.90 1flp h ASN 9 Ca 0.20 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1flp h ASN 9 Cb 0.10 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1flp h ASN 9 CO -0.03 0.49 0.16 0.58 -1.29 0.00 0.00 177.43 177.35 1flp h VAL 10 N 0.58 1.12 -0.04 2.57 2.07 -1.21 -0.50 116.25 120.84 1flp h VAL 10 Ca 0.15 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1flp h VAL 10 Cb 0.07 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1flp h VAL 10 CO -0.02 0.12 -0.00 0.74 0.02 0.00 0.00 177.57 178.43 1flp h THR 11 N 0.36 0.97 -0.34 2.57 2.02 -1.18 -0.20 112.91 117.12 1flp h THR 11 Ca 0.10 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.14 1flp h THR 11 Cb 0.05 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1flp h THR 11 CO -0.02 0.00 -0.32 0.28 0.37 0.00 0.00 175.52 175.84 1flp h SER 12 N 0.01 0.86 -0.41 4.18 0.02 -1.05 -1.88 113.55 115.28 1flp h SER 12 Ca 0.02 -0.46 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 1flp h SER 12 Cb 0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1flp h SER 12 CO -0.03 1.15 -0.13 0.77 -1.14 0.00 0.00 176.83 177.45 1flp h SER 13 N 0.59 0.88 -0.82 3.07 4.64 -1.10 -2.87 113.55 117.95 1flp h SER 13 Ca 0.06 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 1flp h SER 13 Cb 0.90 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 1flp h SER 13 CO 0.08 1.02 0.40 -0.25 -0.87 0.00 0.00 176.83 177.21 1flp h TRP 14 N 0.79 1.18 -0.60 4.77 2.91 -0.99 -0.40 115.95 123.61 1flp h TRP 14 Ca 0.12 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1flp h TRP 14 Cb 0.66 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1flp h TRP 14 CO 0.04 0.85 0.39 0.00 -1.03 0.00 0.00 178.44 178.69 1flp h ALA 15 N 1.26 1.70 -0.11 2.65 0.00 -1.13 0.30 119.26 123.94 1flp h ALA 15 Ca 0.28 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1flp h ALA 15 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1flp h ALA 15 CO -0.04 0.23 -0.41 0.87 0.00 0.00 0.00 179.25 179.90 1flp h LYS 16 N 0.69 0.47 -0.59 0.00 1.57 -1.15 -2.89 116.57 114.68 1flp h LYS 16 Ca 0.24 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1flp h LYS 16 Cb 0.10 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1flp h LYS 16 CO -0.07 0.99 0.16 0.00 -0.57 0.00 0.00 179.45 179.96 1flp h ALA 17 N 0.48 1.18 -0.82 3.86 0.00 -0.77 -2.85 119.26 120.34 1flp h ALA 17 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1flp h ALA 17 Cb 1.05 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1flp h ALA 17 CO 0.09 0.57 0.52 1.03 0.00 0.00 0.00 179.25 181.45 1flp h SER 18 N 0.87 0.85 0.24 0.00 0.87 -0.39 -0.75 113.55 115.24 1flp h SER 18 Ca 0.19 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1flp h SER 18 Cb 0.29 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1flp h SER 18 CO -0.00 0.58 -0.15 0.00 -0.53 0.00 0.00 176.83 176.72 1flp h ALA 19 N 1.35 1.53 -0.48 6.23 0.00 -1.28 -2.66 119.26 123.96 1flp h ALA 19 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1flp h ALA 19 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1flp h ALA 19 CO -0.13 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1flp n ALA 20 N -2.41 2.31 0.31 0.00 0.00 -0.59 -4.67 120.51 115.46 1flp n ALA 20 Ca -0.02 -1.14 0.19 0.00 0.00 0.00 0.00 53.44 52.46 1flp n ALA 20 Cb 0.24 -0.68 1.00 0.00 0.00 0.00 0.00 19.45 20.01 1flp n ALA 20 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1flp h TRP 21 N 3.26 0.00 -0.94 0.00 2.91 -0.80 0.08 115.95 120.45 1flp h TRP 21 Ca 0.00 0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.16 1flp h TRP 21 Cb 0.85 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.42 1flp h TRP 21 CO 0.32 0.02 0.60 0.78 -1.03 0.00 0.00 178.44 179.13 1flp h GLY 22 N 0.46 1.41 0.00 2.65 0.00 -1.83 0.12 103.07 105.88 1flp h GLY 22 Ca -0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 47.33 46.68 1flp h GLY 22 CO 0.00 0.09 -2.15 -1.30 0.00 0.00 0.00 176.54 173.19 1flp n THR 23 N -4.60 1.15 0.11 4.70 -2.24 -0.71 -4.65 114.28 108.04 1flp n THR 23 Ca 0.19 -0.54 -0.02 0.00 -2.27 0.00 0.00 64.05 61.41 1flp n THR 23 Cb 0.45 -0.97 0.23 0.00 -2.10 0.00 0.00 70.33 67.95 1flp n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1flp h ALA 24 N 0.31 1.12 -0.13 6.98 0.00 -0.91 -3.30 119.26 123.33 1flp h ALA 24 Ca -0.45 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 1flp h ALA 24 Cb 1.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1flp h ALA 24 CO -0.03 0.59 0.08 0.78 0.00 0.00 0.00 179.25 180.66 1flp h GLY 25 N 1.25 0.20 2.00 0.00 0.00 -1.19 -0.51 103.07 104.82 1flp h GLY 25 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1flp h GLY 25 CO 0.06 0.08 -0.13 -2.55 0.00 0.00 0.00 176.54 174.00 1flp h PRO 26 N 0.13 0.00 -0.21 4.80 0.11 -1.77 -2.17 132.00 132.89 1flp h PRO 26 Ca 0.05 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.98 1flp h PRO 26 Cb 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1flp h PRO 26 CO -0.01 0.13 -0.58 0.93 -0.21 0.00 0.00 178.00 178.27 1flp h GLU 27 N 0.00 0.66 -0.17 1.05 5.08 -1.46 -1.26 114.58 118.48 1flp h GLU 27 Ca -0.00 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1flp h GLU 27 Cb 0.25 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1flp h GLU 27 CO 0.02 1.05 0.07 0.35 -1.00 0.00 0.00 179.01 179.50 1flp h PHE 28 N 0.50 0.25 -0.75 4.33 3.57 -0.55 -1.26 116.94 123.03 1flp h PHE 28 Ca 0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1flp h PHE 28 Cb 1.15 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1flp h PHE 28 CO 0.06 0.31 0.49 0.74 -2.23 0.00 0.00 178.31 177.68 1flp h PHE 29 N 0.12 0.87 -0.35 0.41 0.04 -1.33 -1.54 116.94 115.17 1flp h PHE 29 Ca 0.06 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 1flp h PHE 29 Cb 0.16 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1flp h PHE 29 CO -0.02 0.50 -0.22 0.52 -0.60 0.00 0.00 178.31 178.49 1flp h MET 30 N 0.89 0.68 -0.59 1.51 2.86 -0.88 0.11 114.93 119.52 1flp h MET 30 Ca 0.30 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1flp h MET 30 Cb 0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1flp h MET 30 CO -0.09 0.85 0.28 0.00 1.06 0.00 0.00 176.91 179.01 1flp h ALA 31 N 1.16 0.76 -0.31 6.32 0.00 -0.64 0.12 119.26 126.67 1flp h ALA 31 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1flp h ALA 31 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1flp h ALA 31 CO 0.05 0.33 0.13 1.25 0.00 0.00 0.00 179.25 181.00 1flp h LEU 32 N 0.80 0.42 -1.01 0.00 5.85 -0.96 -2.53 115.31 117.88 1flp h LEU 32 Ca 0.20 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1flp h LEU 32 Cb 0.12 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1flp h LEU 32 CO -0.02 0.47 -0.17 -0.26 -0.34 0.00 0.00 178.44 178.12 1flp h PHE 33 N 0.35 0.56 -0.03 1.25 0.04 -0.64 -1.35 116.94 117.13 1flp h PHE 33 Ca 0.10 -0.10 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1flp h PHE 33 Cb 0.18 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1flp h PHE 33 CO -0.01 0.66 -0.68 -0.44 -0.60 0.00 0.00 178.31 177.24 1flp h ASP 34 N 0.47 0.16 0.89 2.17 3.32 -0.91 -3.23 116.42 119.30 1flp h ASP 34 Ca 0.08 -0.11 -0.23 0.00 0.02 0.00 0.00 57.03 56.79 1flp h ASP 34 Cb 0.56 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1flp h ASP 34 CO 0.04 0.80 -1.11 0.00 -1.72 0.00 0.00 179.24 177.24 1flp h ALA 35 N 1.20 0.36 -2.95 3.45 0.00 -1.22 -3.43 119.26 116.67 1flp h ALA 35 Ca -0.01 -0.97 -0.60 0.00 0.00 0.00 0.00 54.91 53.33 1flp h ALA 35 Cb 1.22 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 1flp h ALA 35 CO 0.10 1.25 -0.76 -1.01 0.00 0.00 0.00 179.25 178.82 1flp s HIS 36 N -2.69 1.62 0.46 0.00 3.76 -0.53 -4.99 115.29 112.93 1flp s HIS 36 Ca -0.00 -2.05 0.26 0.00 -0.15 0.00 0.00 55.06 53.12 1flp s HIS 36 Cb 0.09 -1.63 1.49 0.00 1.11 0.00 0.00 32.58 33.64 1flp s HIS 36 CO 0.83 -0.82 2.11 0.22 -0.85 0.00 0.00 174.74 176.23 1flp h ASP 37 N 7.19 0.00 0.73 1.40 3.58 -1.84 -1.87 116.42 125.61 1flp h ASP 37 Ca -0.03 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 1flp h ASP 37 Cb 0.96 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1flp h ASP 37 CO 0.43 0.10 -0.26 -2.24 -2.88 0.00 0.00 179.24 174.39 1flp h ASP 38 N 0.00 0.00 0.03 2.28 2.03 -1.94 -0.80 116.42 118.02 1flp h ASP 38 Ca -0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 1flp h ASP 38 Cb 0.24 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.76 1flp h ASP 38 CO 0.01 0.26 -0.85 0.58 -1.03 0.00 0.00 179.24 178.21 1flp h VAL 39 N 0.00 1.37 -0.37 4.15 2.07 -1.71 -3.18 116.25 118.57 1flp h VAL 39 Ca -0.00 -2.21 -0.05 0.00 0.82 0.00 0.00 66.70 65.25 1flp h VAL 39 Cb 0.69 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1flp h VAL 39 CO 0.03 0.66 0.01 0.15 0.02 0.00 0.00 177.57 178.44 1flp h PHE 40 N 0.09 0.61 -0.67 1.57 3.57 -1.35 -1.89 116.94 118.87 1flp h PHE 40 Ca -0.11 -0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.48 1flp h PHE 40 Cb 1.54 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 1flp h PHE 40 CO 0.13 0.58 0.46 0.00 -2.23 0.00 0.00 178.31 177.26 1flp h ALA 41 N 1.46 2.30 0.00 2.41 0.00 -1.13 0.05 119.26 124.35 1flp h ALA 41 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1flp h ALA 41 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1flp h ALA 41 CO 0.01 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.40 1flp n LYS 42 N -4.43 0.20 -0.52 0.00 4.76 -0.71 -2.77 118.16 114.69 1flp n LYS 42 Ca 0.13 0.12 0.08 0.00 -2.87 0.00 0.00 58.31 55.77 1flp n LYS 42 Cb 0.58 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.57 1flp n LYS 42 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1flp n PHE 43 N -1.35 1.22 -0.22 2.13 3.72 0.01 -4.64 117.46 118.33 1flp n PHE 43 Ca 0.08 -0.66 0.01 0.00 -0.05 0.00 0.00 57.45 56.83 1flp n PHE 43 Cb 0.18 -0.24 0.12 0.00 -0.94 0.00 0.00 39.48 38.60 1flp n PHE 43 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1flp h SER 44 N 3.17 0.27 -0.65 4.37 0.87 -1.62 -1.37 113.55 118.59 1flp h SER 44 Ca 0.00 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1flp h SER 44 Cb 1.36 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.34 1flp h SER 44 CO 0.21 0.15 0.25 1.23 -0.53 0.00 0.00 176.83 178.13 1flp h GLY 45 N 0.44 1.06 0.92 5.77 0.00 -1.88 -1.86 103.07 107.52 1flp h GLY 45 Ca 0.33 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1flp h GLY 45 CO -0.31 0.55 -0.01 -2.00 0.00 0.00 0.00 176.54 174.77 1flp h LEU 46 N 0.92 0.62 -2.06 3.11 5.85 -1.77 -2.91 115.31 119.07 1flp h LEU 46 Ca 0.22 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1flp h LEU 46 Cb 0.23 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1flp h LEU 46 CO -0.02 0.78 0.00 0.49 -0.34 0.00 0.00 178.44 179.36 1flp n PHE 47 N -4.49 0.82 -3.80 1.25 3.72 -0.56 -4.93 117.46 109.46 1flp n PHE 47 Ca -0.02 -0.38 -0.29 0.00 -0.05 0.00 0.00 57.45 56.72 1flp n PHE 47 Cb 0.28 -0.06 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1flp n PHE 47 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1flp n SER 48 N 0.95 -4.71 0.00 4.37 7.64 -0.76 -1.59 113.62 119.52 1flp n SER 48 Ca 0.18 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1flp n SER 48 Cb 0.51 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 1flp n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1flp n GLY 49 N -1.59 0.49 3.73 0.23 0.00 -0.85 -5.00 105.19 102.20 1flp n GLY 49 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1flp n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1flp s ALA 50 N -2.31 2.06 0.50 4.61 0.00 -0.62 -4.98 121.76 121.02 1flp s ALA 50 Ca 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 1flp s ALA 50 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 1flp s ALA 50 CO 0.00 -1.96 1.04 0.00 0.00 0.00 0.00 175.76 174.84 1flp s ALA 51 N -2.47 2.86 0.28 0.00 0.00 -1.26 -4.93 121.76 116.24 1flp s ALA 51 Ca 0.67 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1flp s ALA 51 Cb -0.23 -3.25 0.52 0.00 0.00 0.00 0.00 23.12 20.17 1flp s ALA 51 CO 0.51 -0.37 1.84 -0.22 0.00 0.00 0.00 175.76 177.52 1flp h LYS 52 N 1.40 0.99 -0.01 0.00 3.64 -2.01 -0.80 116.57 119.78 1flp h LYS 52 Ca -0.49 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1flp h LYS 52 Cb 1.22 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1flp h LYS 52 CO 0.59 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.84 1flp n GLY 53 N -1.35 -0.78 0.19 5.01 0.00 -1.26 -2.74 105.19 104.27 1flp n GLY 53 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1flp n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1flp n THR 54 N -0.49 0.00 0.89 2.61 -2.24 -0.30 -4.75 114.28 110.00 1flp n THR 54 Ca 0.00 -0.39 0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1flp n THR 54 Cb 0.00 1.10 0.25 0.00 -2.10 0.00 0.00 70.33 69.59 1flp n THR 54 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1flp n VAL 55 N -0.37 0.08 -0.20 2.28 0.24 -1.11 -4.50 118.33 114.76 1flp n VAL 55 Ca 0.04 -0.07 0.07 0.00 -2.04 0.00 0.00 64.34 62.34 1flp n VAL 55 Cb 0.20 0.11 0.35 0.00 -1.47 0.00 0.00 33.84 33.02 1flp n VAL 55 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1flp h LYS 56 N 0.00 0.74 -0.52 7.34 3.64 -1.85 -2.65 116.57 123.27 1flp h LYS 56 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1flp h LYS 56 Cb 0.56 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1flp h LYS 56 CO 0.00 0.49 0.05 0.09 -2.27 0.00 0.00 179.45 177.81 1flp n ASN 57 N -4.49 5.02 -4.88 4.20 4.13 -1.26 -4.79 115.26 113.19 1flp n ASN 57 Ca 0.11 -3.04 -0.30 0.00 1.68 0.00 0.00 54.58 53.04 1flp n ASN 57 Cb 0.25 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1flp n ASN 57 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1flp s THR 58 N -2.85 4.78 0.40 3.41 -4.23 -1.00 -4.96 115.64 111.19 1flp s THR 58 Ca 0.51 0.64 0.08 0.00 -1.18 0.00 0.00 61.69 61.74 1flp s THR 58 Cb 0.40 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.61 1flp s THR 58 CO 0.13 -1.01 2.00 -0.65 -0.54 0.00 0.00 174.62 174.56 1flp h PRO 59 N -0.03 0.42 -0.78 3.99 0.11 -1.93 -2.31 132.00 131.47 1flp h PRO 59 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1flp h PRO 59 Cb 1.19 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1flp h PRO 59 CO 0.62 0.36 0.36 0.93 -0.21 0.00 0.00 178.00 180.06 1flp h GLU 60 N 0.42 1.12 -0.49 1.05 3.07 -1.93 -1.59 114.58 116.24 1flp h GLU 60 Ca 0.10 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 1flp h GLU 60 Cb 0.11 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1flp h GLU 60 CO -0.01 0.87 -0.18 1.98 -1.40 0.00 0.00 179.01 180.27 1flp h MET 61 N 1.11 0.98 -0.66 2.33 4.05 -1.67 -1.80 114.93 119.27 1flp h MET 61 Ca 0.27 -0.41 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1flp h MET 61 Cb 0.13 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1flp h MET 61 CO -0.03 1.08 0.37 0.00 0.23 0.00 0.00 176.91 178.56 1flp h ALA 62 N 0.87 1.42 -0.34 0.39 0.00 -1.25 -0.03 119.26 120.34 1flp h ALA 62 Ca 0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1flp h ALA 62 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1flp h ALA 62 CO 0.06 0.49 -0.32 0.00 0.00 0.00 0.00 179.25 179.47 1flp h ALA 63 N 1.50 0.50 -0.69 0.00 0.00 -0.97 -1.95 119.26 117.65 1flp h ALA 63 Ca 0.23 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1flp h ALA 63 Cb -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1flp h ALA 63 CO -0.04 0.55 0.26 1.96 0.00 0.00 0.00 179.25 181.97 1flp h GLN 64 N 0.60 1.02 -0.43 0.00 1.08 -1.10 -2.10 115.11 114.18 1flp h GLN 64 Ca 0.06 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1flp h GLN 64 Cb 0.90 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 1flp h GLN 64 CO 0.08 0.84 -0.04 0.00 -0.95 0.00 0.00 178.83 178.77 1flp h ALA 65 N 1.28 1.13 -0.48 3.87 0.00 -0.65 -1.86 119.26 122.56 1flp h ALA 65 Ca 0.23 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1flp h ALA 65 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1flp h ALA 65 CO -0.02 0.55 -0.23 0.37 0.00 0.00 0.00 179.25 179.93 1flp h GLN 66 N 0.67 0.99 -0.24 0.00 4.15 -1.04 -2.24 115.11 117.41 1flp h GLN 66 Ca 0.13 -0.43 -0.07 0.00 0.77 0.00 0.00 58.65 59.05 1flp h GLN 66 Cb 0.47 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1flp h GLN 66 CO 0.02 1.11 -0.12 0.77 -1.93 0.00 0.00 178.83 178.68 1flp h SER 67 N 0.85 0.51 -0.30 -0.69 0.02 -1.30 -2.49 113.55 110.15 1flp h SER 67 Ca 0.11 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1flp h SER 67 Cb 0.81 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 1flp h SER 67 CO 0.07 0.81 0.02 0.15 -1.14 0.00 0.00 176.83 176.74 1flp h PHE 68 N 0.21 0.02 -0.74 3.45 3.04 -1.29 -2.78 116.94 118.86 1flp h PHE 68 Ca 0.05 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.05 1flp h PHE 68 Cb 0.62 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 1flp h PHE 68 CO 0.06 -0.03 0.47 -0.22 -2.02 0.00 0.00 178.31 176.58 1flp h LYS 69 N 0.12 0.90 -0.63 1.11 3.64 -1.33 -2.12 116.57 118.26 1flp h LYS 69 Ca 0.14 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1flp h LYS 69 Cb 0.18 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1flp h LYS 69 CO -0.22 0.60 0.16 0.78 -2.27 0.00 0.00 179.45 178.50 1flp h GLY 70 N 0.93 1.06 0.76 5.01 0.00 -1.23 -0.94 103.07 108.66 1flp h GLY 70 Ca 0.29 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1flp h GLY 70 CO -0.10 0.59 -0.41 -2.00 0.00 0.00 0.00 176.54 174.62 1flp h LEU 71 N 0.94 0.49 -1.09 3.11 5.85 -1.21 -2.83 115.31 120.57 1flp h LEU 71 Ca 0.20 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1flp h LEU 71 Cb 0.32 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1flp h LEU 71 CO -0.00 1.07 0.61 0.58 -0.34 0.00 0.00 178.44 180.36 1flp h VAL 72 N -0.05 1.22 -0.87 1.05 2.07 -1.34 -1.00 116.25 117.33 1flp h VAL 72 Ca -0.03 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1flp h VAL 72 Cb 1.06 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1flp h VAL 72 CO 0.08 0.23 0.57 0.28 0.02 0.00 0.00 177.57 178.74 1flp h SER 73 N 1.23 1.01 -0.33 0.57 0.02 -1.22 -0.59 113.55 114.24 1flp h SER 73 Ca 0.35 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1flp h SER 73 Cb -0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 1flp h SER 73 CO -0.08 0.74 0.15 0.78 -1.14 0.00 0.00 176.83 177.27 1flp h ASN 74 N 1.18 0.44 -0.24 3.07 2.35 -0.96 -2.20 115.58 119.21 1flp h ASN 74 Ca 0.32 -0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1flp h ASN 74 Cb -0.12 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1flp h ASN 74 CO -0.07 0.46 0.03 -0.50 -1.65 0.00 0.00 177.43 175.70 1flp h TRP 75 N 0.39 0.05 -0.03 1.19 6.55 -0.92 -2.98 115.95 120.20 1flp h TRP 75 Ca 0.11 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.92 1flp h TRP 75 Cb 0.15 0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1flp h TRP 75 CO -0.01 -0.00 -0.19 0.28 -1.05 0.00 0.00 178.44 177.47 1flp h VAL 76 N 0.12 1.15 0.00 1.49 2.07 -0.99 -1.85 116.25 118.23 1flp h VAL 76 Ca 0.11 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1flp h VAL 76 Cb 0.13 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1flp h VAL 76 CO -0.17 0.21 0.00 0.47 0.02 0.00 0.00 177.57 178.10 1flp n ASP 77 N -4.29 0.00 -0.84 0.57 8.00 -0.84 -3.78 116.55 115.37 1flp n ASP 77 Ca -0.02 0.21 0.05 0.00 0.71 0.00 0.00 54.79 55.75 1flp n ASP 77 Cb 0.26 -0.39 0.14 0.00 -0.02 0.00 0.00 41.12 41.10 1flp n ASP 77 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1flp n ASN 78 N -1.39 1.47 0.29 -2.24 3.02 -0.70 -4.84 115.26 110.87 1flp n ASN 78 Ca 0.09 -3.17 0.18 0.00 -0.03 0.00 0.00 54.58 51.65 1flp n ASN 78 Cb 0.25 -0.44 0.98 0.00 -0.61 0.00 0.00 39.78 39.97 1flp n ASN 78 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1flp h LEU 79 N 0.88 0.00 -2.21 3.41 3.38 -1.64 -0.78 115.31 118.35 1flp h LEU 79 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1flp h LEU 79 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1flp h LEU 79 CO 0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.03 1flp n ASP 80 N -3.58 3.29 -3.94 -0.43 8.00 -1.26 -4.72 116.55 113.91 1flp n ASP 80 Ca -0.02 -1.97 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 1flp n ASP 80 Cb 0.14 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.86 1flp n ASP 80 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1flp s ASN 81 N -1.44 4.92 0.30 -2.24 3.84 -0.30 -4.96 114.94 115.06 1flp s ASN 81 Ca 0.39 -3.72 0.04 0.00 0.21 0.00 0.00 52.86 49.78 1flp s ASN 81 Cb 0.22 -1.68 0.65 0.00 -0.55 0.00 0.00 41.25 39.90 1flp s ASN 81 CO 0.31 -0.12 1.82 0.00 -2.79 0.00 0.00 177.10 176.32 1flp h ALA 82 N 5.64 1.62 -0.51 1.71 0.00 -1.85 -1.40 119.26 124.47 1flp h ALA 82 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1flp h ALA 82 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1flp h ALA 82 CO 0.73 0.10 0.28 0.78 0.00 0.00 0.00 179.25 181.14 1flp h GLY 83 N 0.88 0.75 1.02 0.00 0.00 -1.94 0.25 103.07 104.04 1flp h GLY 83 Ca 0.51 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 1flp h GLY 83 CO -0.29 0.33 -0.20 0.00 0.00 0.00 0.00 176.54 176.38 1flp h ALA 84 N 1.12 0.56 -0.52 3.60 0.00 -1.65 -2.60 119.26 119.77 1flp h ALA 84 Ca 0.18 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1flp h ALA 84 Cb 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1flp h ALA 84 CO -0.03 0.51 0.18 -0.07 0.00 0.00 0.00 179.25 179.84 1flp h LEU 85 N 0.64 0.17 -0.40 0.00 3.38 -1.00 -1.42 115.31 116.68 1flp h LEU 85 Ca 0.09 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1flp h LEU 85 Cb 0.75 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1flp h LEU 85 CO 0.06 0.12 0.18 -0.08 0.09 0.00 0.00 178.44 178.81 1flp h GLU 86 N 0.35 0.36 -0.50 1.13 4.22 -0.39 -0.56 114.58 119.19 1flp h GLU 86 Ca 0.25 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.67 1flp h GLU 86 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1flp h GLU 86 CO -0.26 0.24 0.31 0.78 -2.18 0.00 0.00 179.01 177.90 1flp h GLY 87 N 0.37 0.72 1.17 1.92 0.00 -1.04 -1.22 103.07 104.99 1flp h GLY 87 Ca 0.18 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1flp h GLY 87 CO -0.15 0.28 0.08 1.46 0.00 0.00 0.00 176.54 178.21 1flp h GLN 88 N 0.68 1.02 -0.17 4.80 1.08 -0.92 -2.89 115.11 118.70 1flp h GLN 88 Ca 0.18 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1flp h GLN 88 Cb -0.03 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1flp h GLN 88 CO -0.04 0.95 -0.29 0.00 -0.95 0.00 0.00 178.83 178.51 1flp h LYS 90 N 0.29 1.14 -0.20 0.00 3.64 -1.03 0.18 116.57 120.59 1flp h LYS 90 Ca 0.04 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1flp h LYS 90 Cb 0.66 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1flp h LYS 90 CO 0.05 0.98 -0.08 1.15 -2.27 0.00 0.00 179.45 179.28 1flp h THR 91 N 1.08 1.30 -0.18 1.00 2.02 -1.45 -1.83 112.91 114.85 1flp h THR 91 Ca 0.23 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.32 1flp h THR 91 Cb 0.34 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1flp h THR 91 CO -0.00 0.34 -0.08 0.15 0.37 0.00 0.00 175.52 176.30 1flp h PHE 92 N 0.11 -0.17 -0.40 3.16 3.57 -1.38 -1.39 116.94 120.43 1flp h PHE 92 Ca 0.05 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1flp h PHE 92 Cb 0.56 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1flp h PHE 92 CO 0.06 -0.12 0.26 0.00 -2.23 0.00 0.00 178.31 176.28 1flp h ALA 93 N 1.12 0.51 -0.07 2.41 0.00 -0.89 -1.98 119.26 120.36 1flp h ALA 93 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1flp h ALA 93 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1flp h ALA 93 CO -0.21 -0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.03 1flp h ALA 94 N 1.16 0.09 -0.92 0.00 0.00 -1.12 0.20 119.26 118.67 1flp h ALA 94 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1flp h ALA 94 Cb -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1flp h ALA 94 CO -0.05 -0.41 0.60 -0.91 0.00 0.00 0.00 179.25 178.49 1flp h ASN 95 N 0.08 1.02 -0.11 0.00 -0.26 -1.13 -2.36 115.58 112.82 1flp h ASN 95 Ca 0.03 -0.02 -0.23 0.00 -0.56 0.00 0.00 56.30 55.51 1flp h ASN 95 Cb 0.00 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1flp h ASN 95 CO -0.01 0.72 -0.84 0.45 -1.06 0.00 0.00 177.43 176.70 1flp h HIS 96 N 1.20 1.07 -0.49 1.19 3.86 -1.11 -3.17 115.15 117.69 1flp h HIS 96 Ca 0.35 -0.50 0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1flp h HIS 96 Cb -0.07 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1flp h HIS 96 CO -0.01 1.33 0.33 -0.22 0.86 0.00 0.00 177.93 180.22 1flp h LYS 97 N 0.51 0.39 0.00 2.45 1.63 -0.85 -0.94 116.57 119.76 1flp h LYS 97 Ca -0.07 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1flp h LYS 97 Cb 1.47 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1flp h LYS 97 CO 0.17 0.26 0.00 0.00 -3.45 0.00 0.00 179.45 176.43 1flp n ALA 98 N -2.51 1.46 0.66 5.00 0.00 -0.90 -1.46 120.51 122.77 1flp n ALA 98 Ca 0.07 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1flp n ALA 98 Cb 0.27 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.60 1flp n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1flp n ARG 99 N -2.09 2.35 -0.62 0.00 1.74 -0.37 -4.92 116.66 112.76 1flp n ARG 99 Ca 0.01 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1flp n ARG 99 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1flp n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1flp n GLY 100 N 1.41 0.69 3.75 -0.13 0.00 -0.53 -5.02 105.19 105.36 1flp n GLY 100 Ca 0.17 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1flp n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1flp s ILE 101 N -2.00 3.89 0.27 -0.61 1.01 -1.18 -5.05 121.20 117.53 1flp s ILE 101 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1flp s ILE 101 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1flp s ILE 101 CO 0.00 0.44 0.46 -0.94 0.00 0.00 0.00 174.94 174.90 1flp s SER 102 N -1.10 6.34 0.37 3.58 1.04 -1.26 -4.44 113.70 118.23 1flp s SER 102 Ca 0.43 0.38 0.06 0.00 0.48 0.00 0.00 55.95 57.30 1flp s SER 102 Cb -0.28 -2.00 0.75 0.00 0.10 0.00 0.00 66.02 64.59 1flp s SER 102 CO 0.35 -0.16 1.98 0.00 0.98 0.00 0.00 173.24 176.39 1flp h ALA 103 N 1.35 1.69 -0.56 5.32 0.00 -1.95 -1.18 119.26 123.93 1flp h ALA 103 Ca -0.49 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1flp h ALA 103 Cb 1.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1flp h ALA 103 CO 0.64 0.22 0.37 0.78 0.00 0.00 0.00 179.25 181.26 1flp h GLY 104 N 0.74 0.76 1.77 0.00 0.00 -1.99 -1.15 103.07 103.20 1flp h GLY 104 Ca 0.28 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1flp h GLY 104 CO -0.08 0.26 -0.56 1.46 0.00 0.00 0.00 176.54 177.62 1flp h GLN 105 N 0.71 0.24 -0.14 4.80 4.20 -1.62 -1.39 115.11 121.91 1flp h GLN 105 Ca 0.21 -0.15 -0.21 0.00 0.06 0.00 0.00 58.65 58.57 1flp h GLN 105 Cb -0.01 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1flp h GLN 105 CO -0.05 0.73 -0.74 -0.07 -0.67 0.00 0.00 178.83 178.03 1flp h LEU 106 N 0.18 0.77 -1.06 1.46 3.38 -1.00 -2.63 115.31 116.42 1flp h LEU 106 Ca 0.00 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1flp h LEU 106 Cb 1.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1flp h LEU 106 CO 0.09 1.27 0.64 -0.08 0.09 0.00 0.00 178.44 180.44 1flp h GLU 107 N 0.45 1.25 -0.44 1.13 4.57 -1.10 -1.39 114.58 119.05 1flp h GLU 107 Ca -0.04 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 1flp h GLU 107 Cb 1.34 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1flp h GLU 107 CO 0.14 0.82 0.15 0.00 -1.18 0.00 0.00 179.01 178.95 1flp h ALA 108 N 1.41 1.44 -0.26 2.92 0.00 -0.99 -0.98 119.26 122.80 1flp h ALA 108 Ca 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1flp h ALA 108 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1flp h ALA 108 CO -0.08 0.42 0.03 0.00 0.00 0.00 0.00 179.25 179.62 1flp h ALA 109 N 1.54 0.35 -0.29 0.00 0.00 -0.92 -1.82 119.26 118.13 1flp h ALA 109 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1flp h ALA 109 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1flp h ALA 109 CO -0.01 0.05 -0.02 0.74 0.00 0.00 0.00 179.25 180.01 1flp h PHE 110 N 0.24 0.45 -0.13 0.00 0.04 -0.99 -0.48 116.94 116.07 1flp h PHE 110 Ca 0.08 -0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.61 1flp h PHE 110 Cb 0.36 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1flp h PHE 110 CO 0.03 0.46 -0.71 -0.22 -0.60 0.00 0.00 178.31 177.27 1flp h LYS 111 N 0.42 0.58 -0.31 1.51 3.64 -0.86 -1.24 116.57 120.30 1flp h LYS 111 Ca 0.09 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1flp h LYS 111 Cb 0.31 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1flp h LYS 111 CO 0.01 1.07 0.04 0.28 -2.27 0.00 0.00 179.45 178.58 1flp h VAL 112 N 0.40 1.24 -0.67 2.00 2.07 -1.14 -3.02 116.25 117.13 1flp h VAL 112 Ca -0.03 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.72 1flp h VAL 112 Cb 1.30 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 1flp h VAL 112 CO 0.13 0.28 0.34 0.25 0.02 0.00 0.00 177.57 178.59 1flp h LEU 113 N 0.33 0.46 -0.83 2.57 5.85 -0.88 -0.78 115.31 122.04 1flp h LEU 113 Ca 0.09 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1flp h LEU 113 Cb 0.37 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1flp h LEU 113 CO 0.01 0.28 0.54 0.28 -0.34 0.00 0.00 178.44 179.21 1flp h SER 114 N 0.60 0.90 0.41 1.25 0.02 -1.10 -0.29 113.55 115.34 1flp h SER 114 Ca 0.32 -0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.99 1flp h SER 114 Cb 0.30 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.64 1flp h SER 114 CO -0.24 0.63 -1.17 1.23 -1.14 0.00 0.00 176.83 176.14 1flp h GLY 115 N 1.06 0.46 1.05 -3.77 0.00 -1.41 -3.18 103.07 97.27 1flp h GLY 115 Ca 0.32 -1.00 0.08 0.00 0.00 0.00 0.00 47.33 46.73 1flp h GLY 115 CO -0.10 0.88 0.45 -2.75 0.00 0.00 0.00 176.54 175.01 1flp h PHE 116 N 0.17 0.65 0.00 5.60 3.04 -0.77 -2.48 116.94 123.15 1flp h PHE 116 Ca -0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.83 1flp h PHE 116 Cb 1.85 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1flp h PHE 116 CO 0.08 0.33 0.00 -1.33 -2.02 0.00 0.00 178.31 175.37 1flp n MET 117 N -4.48 0.02 0.12 1.11 2.81 -0.15 -2.48 117.12 114.06 1flp n MET 117 Ca 0.10 0.29 0.04 0.00 -1.81 0.00 0.00 57.70 56.32 1flp n MET 117 Cb 0.27 -1.53 0.45 0.00 -0.71 0.00 0.00 33.22 31.71 1flp n MET 117 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1flp h LYS 118 N 0.00 0.26 0.00 0.03 1.57 -1.56 -0.35 116.57 116.52 1flp h LYS 118 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1flp h LYS 118 Cb 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1flp h LYS 118 CO 0.00 0.29 0.00 0.77 -0.57 0.00 0.00 179.45 179.94 1flp h SER 119 N 0.26 0.00 -0.22 0.86 0.02 -1.70 -2.54 113.55 110.24 1flp h SER 119 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1flp h SER 119 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1flp h SER 119 CO 0.00 0.00 -0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1flp n TYR 120 N -2.91 0.79 -0.62 3.45 4.01 -0.52 -4.94 117.16 116.42 1flp n TYR 120 Ca -0.02 -0.91 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 1flp n TYR 120 Cb 0.09 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 1flp n TYR 120 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1flp n GLY 121 N -0.68 0.75 3.77 2.72 0.00 -0.96 -4.51 105.19 106.28 1flp n GLY 121 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1flp n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1flp s GLY 122 N -1.82 2.97 -0.30 -0.02 0.00 -0.26 -4.85 107.32 103.05 1flp s GLY 122 Ca 0.00 1.09 -0.22 0.00 0.00 0.00 0.00 44.72 45.59 1flp s GLY 122 CO 0.00 1.68 0.69 -0.35 0.00 0.00 0.00 173.10 175.12 1flp s ASP 123 N -0.79 6.58 0.48 1.64 -1.08 -1.26 -4.14 116.67 118.10 1flp s ASP 123 Ca 0.51 0.56 0.15 0.00 -0.52 0.00 0.00 52.55 53.25 1flp s ASP 123 Cb -0.35 -2.36 1.13 0.00 -1.46 0.00 0.00 42.92 39.88 1flp s ASP 123 CO 0.46 -0.52 2.08 -0.08 0.52 0.00 0.00 175.17 177.62 1flp h GLU 124 N 8.12 0.03 -0.25 4.34 4.81 -1.95 -1.04 114.58 128.64 1flp h GLU 124 Ca -0.26 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 1flp h GLU 124 Cb 1.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1flp h GLU 124 CO 0.83 0.10 -0.37 0.78 -0.73 0.00 0.00 179.01 179.61 1flp h GLY 125 N 0.26 0.61 0.81 1.92 0.00 -1.92 -0.35 103.07 104.39 1flp h GLY 125 Ca 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1flp h GLY 125 CO 0.01 0.53 -0.01 0.00 0.00 0.00 0.00 176.54 177.07 1flp h ALA 126 N 1.13 0.25 -0.06 3.60 0.00 -1.57 -1.65 119.26 120.97 1flp h ALA 126 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1flp h ALA 126 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1flp h ALA 126 CO 0.07 -0.03 -0.27 -1.49 0.00 0.00 0.00 179.25 177.54 1flp h TRP 127 N 0.08 0.12 -0.13 0.00 4.06 -1.38 -2.00 115.95 116.70 1flp h TRP 127 Ca 0.05 -0.02 -0.17 0.00 2.06 0.00 0.00 58.89 60.81 1flp h TRP 127 Cb 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1flp h TRP 127 CO 0.04 0.38 -0.64 1.15 -3.56 0.00 0.00 178.44 175.81 1flp h THR 128 N 0.10 1.35 -0.48 1.49 2.02 -0.86 -1.04 112.91 115.48 1flp h THR 128 Ca 0.01 -1.96 -0.09 0.00 0.77 0.00 0.00 66.41 65.15 1flp h THR 128 Cb 0.54 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1flp h THR 128 CO 0.04 0.60 -0.05 0.00 0.37 0.00 0.00 175.52 176.48 1flp h ALA 129 N 0.96 0.66 -0.12 6.16 0.00 -0.94 -1.35 119.26 124.62 1flp h ALA 129 Ca -0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1flp h ALA 129 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1flp h ALA 129 CO 0.11 0.51 -0.58 0.28 0.00 0.00 0.00 179.25 179.57 1flp h VAL 130 N 0.74 1.35 -0.55 0.00 2.07 -1.27 -1.84 116.25 116.75 1flp h VAL 130 Ca 0.13 -1.88 -0.10 0.00 0.82 0.00 0.00 66.70 65.67 1flp h VAL 130 Cb 0.58 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1flp h VAL 130 CO 0.03 0.57 -0.07 0.00 0.02 0.00 0.00 177.57 178.12 1flp h ALA 131 N 1.09 0.83 -0.55 1.67 0.00 -0.98 -1.36 119.26 119.97 1flp h ALA 131 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1flp h ALA 131 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1flp h ALA 131 CO 0.10 0.66 0.17 0.78 0.00 0.00 0.00 179.25 180.96 1flp h GLY 132 N 0.96 0.92 0.93 0.00 0.00 -0.98 0.23 103.07 105.13 1flp h GLY 132 Ca 0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1flp h GLY 132 CO 0.04 0.51 0.05 0.00 0.00 0.00 0.00 176.54 177.14 1flp h ALA 133 N 1.03 0.51 -0.35 3.60 0.00 -1.03 -2.12 119.26 120.91 1flp h ALA 133 Ca 0.18 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1flp h ALA 133 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1flp h ALA 133 CO -0.01 0.23 -0.16 -0.07 0.00 0.00 0.00 179.25 179.25 1flp h LEU 134 N 0.48 0.75 -1.61 0.00 3.38 -0.96 -3.03 115.31 114.32 1flp h LEU 134 Ca 0.11 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1flp h LEU 134 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1flp h LEU 134 CO 0.01 0.98 -0.13 0.24 0.09 0.00 0.00 178.44 179.63 1flp h MET 135 N 0.51 0.09 0.00 1.13 2.86 -0.49 -0.54 114.93 118.49 1flp h MET 135 Ca 0.08 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1flp h MET 135 Cb 0.70 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1flp h MET 135 CO 0.05 0.23 -0.08 0.78 1.06 0.00 0.00 176.91 178.94 1flp h GLY 136 N 0.55 0.00 0.83 8.32 0.00 -1.26 0.68 103.07 112.19 1flp h GLY 136 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.14 1flp h GLY 136 CO 0.02 0.00 -1.60 1.18 0.00 0.00 0.00 176.54 176.13 1flp n GLU 137 N -3.53 0.63 -0.03 4.80 1.02 -0.35 -4.52 120.64 118.66 1flp n GLU 137 Ca -0.02 0.19 -0.20 0.00 -0.02 0.00 0.00 57.16 57.12 1flp n GLU 137 Cb 0.21 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.74 1flp n GLU 137 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1flp h ILE 138 N 0.00 1.17 -0.71 -3.67 2.04 -0.64 -3.41 117.51 112.28 1flp h ILE 138 Ca -0.22 -2.34 0.16 0.00 1.00 0.00 0.00 64.86 63.45 1flp h ILE 138 Cb 1.71 2.74 -0.11 0.00 -0.74 0.00 0.00 36.82 40.42 1flp h ILE 138 CO 0.05 0.59 0.12 -0.08 0.00 0.00 0.00 178.15 178.83 1flp h GLU 139 N -0.61 0.21 0.00 2.37 4.81 -1.11 0.36 114.58 120.60 1flp h GLU 139 Ca -0.25 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1flp h GLU 139 Cb 1.50 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.83 1flp h GLU 139 CO -0.02 0.14 -0.01 -1.00 -0.73 0.00 0.00 179.01 177.39 1flp h PRO 140 N 0.21 0.00 -0.63 0.92 0.13 -1.80 -1.86 132.00 128.97 1flp h PRO 140 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 1flp h PRO 140 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1flp h PRO 140 CO -0.54 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 177.00 1flp n ASP 141 N -3.30 3.88 -0.52 1.44 8.00 0.11 -5.20 116.55 120.96 1flp n ASP 141 Ca -0.02 -2.26 0.07 0.00 0.71 0.00 0.00 54.79 53.29 1flp n ASP 141 Cb 0.12 -0.50 0.05 0.00 -0.02 0.00 0.00 41.12 40.78 1flp n ASP 141 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04