#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nl7 s LEU 2 N 0.00 4.31 0.79 7.52 1.02 -1.26 -5.05 118.68 126.01 3nl7 s LEU 2 Ca 0.00 1.76 -0.11 0.00 0.02 0.00 0.00 54.13 55.79 3nl7 s LEU 2 Cb 0.00 -3.56 0.07 0.00 0.02 0.00 0.00 46.19 42.72 3nl7 s LEU 2 CO 0.00 -0.46 1.15 -0.94 0.02 0.00 0.00 176.35 176.12 3nl7 s SER 3 N 1.20 4.61 0.26 2.29 1.04 -1.26 -4.89 113.70 116.95 3nl7 s SER 3 Ca 0.54 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.70 3nl7 s SER 3 Cb -0.23 -1.30 0.36 0.00 0.10 0.00 0.00 66.02 64.95 3nl7 s SER 3 CO 0.24 -1.83 1.89 -0.65 0.98 0.00 0.00 173.24 173.87 3nl7 h PRO 4 N -0.97 1.18 -0.61 4.02 0.11 -2.00 -2.11 132.00 131.63 3nl7 h PRO 4 Ca -0.46 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3nl7 h PRO 4 Cb 1.32 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3nl7 h PRO 4 CO 0.65 0.78 0.32 0.00 -0.21 0.00 0.00 178.00 179.54 3nl7 h ALA 5 N 1.43 0.78 -0.54 -0.75 0.00 -1.99 -1.65 119.26 116.53 3nl7 h ALA 5 Ca 0.41 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3nl7 h ALA 5 Cb 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3nl7 h ALA 5 CO -0.15 0.32 0.27 -0.44 0.00 0.00 0.00 179.25 179.25 3nl7 h ASP 6 N 0.83 0.38 -0.24 0.00 3.32 -1.82 0.00 116.42 118.88 3nl7 h ASP 6 Ca 0.21 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3nl7 h ASP 6 Cb 0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3nl7 h ASP 6 CO -0.03 0.25 0.13 0.11 -1.72 0.00 0.00 179.24 177.98 3nl7 h LYS 7 N 0.51 0.34 -0.64 3.56 1.57 -1.04 -0.49 116.57 120.39 3nl7 h LYS 7 Ca 0.24 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3nl7 h LYS 7 Cb 0.17 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3nl7 h LYS 7 CO -0.18 0.31 0.37 1.15 -0.57 0.00 0.00 179.45 180.53 3nl7 h THR 8 N 0.28 1.01 -0.34 -0.16 2.02 -1.06 -1.34 112.91 113.32 3nl7 h THR 8 Ca 0.08 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3nl7 h THR 8 Cb 0.07 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3nl7 h THR 8 CO -0.01 0.13 0.11 0.78 0.37 0.00 0.00 175.52 176.90 3nl7 h ASN 9 N 0.70 0.50 -0.25 4.18 2.35 -0.56 -1.45 115.58 121.04 3nl7 h ASN 9 Ca 0.27 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3nl7 h ASN 9 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3nl7 h ASN 9 CO -0.15 0.56 0.05 0.58 -1.65 0.00 0.00 177.43 176.82 3nl7 h VAL 10 N 0.41 1.22 -0.98 2.81 2.07 -0.96 -1.65 116.25 119.16 3nl7 h VAL 10 Ca 0.11 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3nl7 h VAL 10 Cb 0.24 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3nl7 h VAL 10 CO -0.00 0.24 0.64 0.11 0.02 0.00 0.00 177.57 178.58 3nl7 h LYS 11 N 0.23 1.20 -0.24 1.57 1.57 -1.16 0.37 116.57 120.10 3nl7 h LYS 11 Ca 0.08 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3nl7 h LYS 11 Cb 0.31 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3nl7 h LYS 11 CO 0.00 0.79 -0.13 0.00 -0.57 0.00 0.00 179.45 179.55 3nl7 h ALA 12 N 1.43 0.34 -0.16 3.86 0.00 -1.11 0.19 119.26 123.82 3nl7 h ALA 12 Ca 0.39 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3nl7 h ALA 12 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3nl7 h ALA 12 CO -0.12 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 3nl7 h ALA 13 N 0.72 0.23 -0.27 0.00 0.00 -1.07 -1.96 119.26 116.91 3nl7 h ALA 13 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3nl7 h ALA 13 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3nl7 h ALA 13 CO 0.04 0.08 0.18 2.35 0.00 0.00 0.00 179.25 181.90 3nl7 h TRP 14 N 0.02 0.35 -0.75 0.00 2.91 -0.92 -2.01 115.95 115.56 3nl7 h TRP 14 Ca 0.03 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.16 3nl7 h TRP 14 Cb 0.62 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.10 3nl7 h TRP 14 CO 0.07 0.22 0.49 0.78 -1.03 0.00 0.00 178.44 178.98 3nl7 h GLY 15 N 0.38 0.91 1.92 2.65 0.00 0.19 -1.16 103.07 107.97 3nl7 h GLY 15 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3nl7 h GLY 15 CO -0.02 0.14 0.00 0.28 0.00 0.00 0.00 176.54 176.94 3nl7 n LYS 16 N -4.50 0.07 -0.04 4.80 4.76 -0.75 -3.57 118.16 118.93 3nl7 n LYS 16 Ca 0.13 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.47 3nl7 n LYS 16 Cb 0.36 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.97 3nl7 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3nl7 h VAL 17 N 0.00 1.38 0.00 -0.18 2.07 -1.27 -3.48 116.25 114.78 3nl7 h VAL 17 Ca 0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3nl7 h VAL 17 Cb 0.42 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3nl7 h VAL 17 CO 0.00 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.68 3nl7 n GLY 18 N 0.53 3.11 0.33 2.17 0.00 -1.23 -1.47 105.19 108.63 3nl7 n GLY 18 Ca -0.07 -0.24 0.22 0.00 0.00 0.00 0.00 46.02 45.92 3nl7 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nl7 h ALA 19 N -0.90 1.04 0.00 4.61 0.00 -1.95 -2.25 119.26 119.82 3nl7 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nl7 h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nl7 h ALA 19 CO 0.00 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.93 3nl7 n HIS 20 N -3.03 0.00 -0.11 0.00 8.25 -0.54 -4.33 115.22 115.46 3nl7 n HIS 20 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 3nl7 n HIS 20 Cb 0.11 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3nl7 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nl7 h ALA 21 N 3.59 -0.21 -0.44 -1.41 0.00 -1.54 -0.08 119.26 119.18 3nl7 h ALA 21 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3nl7 h ALA 21 Cb 0.06 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3nl7 h ALA 21 CO 0.00 -0.74 -0.25 0.78 0.00 0.00 0.00 179.25 179.05 3nl7 h GLY 22 N -0.27 0.99 0.75 0.00 0.00 -1.83 -1.84 103.07 100.87 3nl7 h GLY 22 Ca 0.16 -0.89 0.05 0.00 0.00 0.00 0.00 47.33 46.66 3nl7 h GLY 22 CO -0.52 0.81 0.41 -2.09 0.00 0.00 0.00 176.54 175.15 3nl7 h GLU 23 N 0.78 0.75 -0.01 4.80 4.81 -1.63 -0.20 114.58 123.88 3nl7 h GLU 23 Ca 0.10 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 3nl7 h GLU 23 Cb 0.81 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3nl7 h GLU 23 CO 0.07 0.50 -0.70 1.88 -0.73 0.00 0.00 179.01 180.03 3nl7 h TYR 24 N 0.77 0.05 -0.53 0.92 0.99 -0.82 -1.04 116.97 117.31 3nl7 h TYR 24 Ca 0.30 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.95 3nl7 h TYR 24 Cb 0.13 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 37.83 3nl7 h TYR 24 CO -0.06 0.72 0.11 0.78 -0.00 0.00 0.00 178.16 179.71 3nl7 h GLY 25 N 2.00 0.93 1.19 3.88 0.00 -0.83 -1.00 103.07 109.24 3nl7 h GLY 25 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 3nl7 h GLY 25 CO 0.09 0.56 -0.01 0.00 0.00 0.00 0.00 176.54 177.18 3nl7 h ALA 26 N 1.00 0.92 -0.66 3.60 0.00 -0.80 -2.45 119.26 120.87 3nl7 h ALA 26 Ca 0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3nl7 h ALA 26 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3nl7 h ALA 26 CO 0.01 0.64 0.14 1.49 0.00 0.00 0.00 179.25 181.53 3nl7 h GLU 27 N 0.89 1.06 -0.64 0.00 4.81 -1.00 -1.15 114.58 118.55 3nl7 h GLU 27 Ca 0.16 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3nl7 h GLU 27 Cb 0.54 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3nl7 h GLU 27 CO 0.03 0.95 0.27 0.00 -0.73 0.00 0.00 179.01 179.52 3nl7 h ALA 28 N 1.14 0.83 -0.57 2.92 0.00 -0.95 0.30 119.26 122.93 3nl7 h ALA 28 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3nl7 h ALA 28 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3nl7 h ALA 28 CO 0.01 0.43 0.21 -0.07 0.00 0.00 0.00 179.25 179.83 3nl7 h LEU 29 N 0.89 0.80 -0.48 0.00 3.38 -1.16 -0.72 115.31 118.03 3nl7 h LEU 29 Ca 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3nl7 h LEU 29 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3nl7 h LEU 29 CO -0.02 0.77 0.15 -0.08 0.09 0.00 0.00 178.44 179.35 3nl7 h GLU 30 N 0.78 0.74 -0.85 1.13 4.81 -0.73 0.39 114.58 120.85 3nl7 h GLU 30 Ca 0.19 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3nl7 h GLU 30 Cb 0.23 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 3nl7 h GLU 30 CO -0.01 0.70 0.52 0.00 -0.73 0.00 0.00 179.01 179.48 3nl7 h ARG 31 N 0.64 0.90 -0.49 1.92 3.08 -0.79 -1.56 114.38 118.07 3nl7 h ARG 31 Ca 0.15 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 3nl7 h ARG 31 Cb 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3nl7 h ARG 31 CO -0.01 0.60 0.08 1.98 -1.07 0.00 0.00 179.97 181.55 3nl7 h MET 32 N 0.93 0.82 -0.63 0.04 4.05 -0.34 -1.25 114.93 118.55 3nl7 h MET 32 Ca 0.38 -0.22 -0.09 0.00 -0.28 0.00 0.00 59.70 59.49 3nl7 h MET 32 Cb 0.21 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3nl7 h MET 32 CO -0.19 0.82 0.04 0.74 0.23 0.00 0.00 176.91 178.55 3nl7 h PHE 33 N 0.69 1.17 -0.16 1.39 0.04 -0.49 0.03 116.94 119.62 3nl7 h PHE 33 Ca 0.15 -0.19 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 3nl7 h PHE 33 Cb 0.40 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3nl7 h PHE 33 CO 0.03 1.01 -0.38 -0.07 -0.60 0.00 0.00 178.31 178.30 3nl7 h LEU 34 N 0.99 0.61 -0.08 1.54 3.38 -1.26 -3.29 115.31 117.20 3nl7 h LEU 34 Ca 0.18 -0.57 -0.22 0.00 0.09 0.00 0.00 57.88 57.36 3nl7 h LEU 34 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3nl7 h LEU 34 CO 0.02 1.07 -1.01 0.28 0.09 0.00 0.00 178.44 178.90 3nl7 h SER 35 N 0.17 0.17 -2.36 -0.43 0.02 -1.18 -3.40 113.55 106.54 3nl7 h SER 35 Ca -0.00 -0.17 -0.59 0.00 -0.84 0.00 0.00 61.79 60.19 3nl7 h SER 35 Cb 0.99 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.08 3nl7 h SER 35 CO 0.08 1.07 -0.86 0.49 -1.14 0.00 0.00 176.83 176.48 3nl7 n PHE 36 N -3.50 0.99 0.30 3.45 3.01 -0.01 -4.99 117.46 116.72 3nl7 n PHE 36 Ca -0.03 -3.75 0.19 0.00 1.01 0.00 0.00 57.45 54.87 3nl7 n PHE 36 Cb 0.91 -0.26 1.00 0.00 -0.01 0.00 0.00 39.48 41.12 3nl7 n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3nl7 h PRO 37 N 4.79 0.00 -0.08 -1.08 0.13 -1.76 -1.33 132.00 132.67 3nl7 h PRO 37 Ca 0.17 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.33 3nl7 h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3nl7 h PRO 37 CO 0.56 0.00 0.09 1.79 -0.23 0.00 0.00 178.00 180.21 3nl7 h THR 38 N 0.00 0.55 0.00 1.56 1.35 -1.92 -1.81 112.91 112.65 3nl7 h THR 38 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3nl7 h THR 38 Cb 0.07 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3nl7 h THR 38 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3nl7 n THR 39 N -3.91 0.72 0.25 6.82 -2.24 -0.50 -3.20 114.28 112.22 3nl7 n THR 39 Ca -0.01 -0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 3nl7 n THR 39 Cb 0.19 -0.88 0.63 0.00 -2.10 0.00 0.00 70.33 68.17 3nl7 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3nl7 h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.52 -3.07 116.57 112.77 3nl7 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nl7 h LYS 40 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3nl7 h LYS 40 CO 0.00 0.14 0.00 0.25 -0.57 0.00 0.00 179.45 179.27 3nl7 n THR 41 N -4.01 0.60 0.81 -0.16 -2.24 -1.19 -1.63 114.28 106.46 3nl7 n THR 41 Ca -0.02 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 3nl7 n THR 41 Cb 0.23 -0.81 0.46 0.00 -2.10 0.00 0.00 70.33 68.11 3nl7 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3nl7 n TYR 42 N -1.72 0.00 -2.99 4.78 4.01 -1.16 -4.23 117.16 115.85 3nl7 n TYR 42 Ca 0.05 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.58 3nl7 n TYR 42 Cb 0.27 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 3nl7 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3nl7 n PHE 43 N -1.40 1.83 0.25 -0.72 3.01 -0.65 -4.89 117.46 114.90 3nl7 n PHE 43 Ca 0.07 -3.70 0.14 0.00 1.01 0.00 0.00 57.45 54.97 3nl7 n PHE 43 Cb 0.20 -0.41 0.56 0.00 -0.01 0.00 0.00 39.48 39.82 3nl7 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3nl7 h PRO 44 N 2.96 0.00 -0.04 -1.08 0.13 -1.75 -2.19 132.00 130.02 3nl7 h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3nl7 h PRO 44 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3nl7 h PRO 44 CO 0.63 0.11 0.00 -2.39 -0.23 0.00 0.00 178.00 176.12 3nl7 n HIS 45 N -3.25 0.04 -4.19 1.56 1.44 -1.26 -4.82 115.22 104.74 3nl7 n HIS 45 Ca 0.00 -0.02 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 3nl7 n HIS 45 Cb 0.37 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.39 3nl7 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3nl7 s PHE 46 N -1.96 3.29 -0.12 -1.40 2.99 -0.82 -5.09 117.98 114.87 3nl7 s PHE 46 Ca 0.38 0.26 -0.27 0.00 0.00 0.00 0.00 56.93 57.30 3nl7 s PHE 46 Cb 0.20 -1.87 -0.02 0.00 0.00 0.00 0.00 43.02 41.33 3nl7 s PHE 46 CO 0.32 0.49 0.89 0.34 -0.00 0.00 0.00 175.22 177.26 3nl7 s ASP 47 N -0.73 7.09 0.00 1.36 -1.08 -1.26 -4.95 116.67 117.10 3nl7 s ASP 47 Ca 0.12 1.34 0.21 0.00 -0.52 0.00 0.00 52.55 53.69 3nl7 s ASP 47 Cb -0.12 -2.49 0.32 0.00 -1.46 0.00 0.00 42.92 39.17 3nl7 s ASP 47 CO 0.02 -0.36 1.28 0.18 0.52 0.00 0.00 175.17 176.81 3nl7 n LEU 48 N 4.84 3.11 -4.67 -1.34 4.77 -1.26 -4.54 117.00 117.90 3nl7 n LEU 48 Ca 0.05 -1.37 -0.31 0.00 -0.03 0.00 0.00 56.01 54.35 3nl7 n LEU 48 Cb 0.49 -0.16 0.16 0.00 -2.33 0.00 0.00 43.42 41.58 3nl7 n LEU 48 CO 0.50 0.64 0.67 -0.94 -1.33 0.00 0.00 177.39 176.93 3nl7 s SER 49 N -1.46 3.02 0.31 -1.43 1.04 -1.26 -4.87 113.70 109.04 3nl7 s SER 49 Ca 0.31 2.04 -0.30 0.00 0.48 0.00 0.00 55.95 58.49 3nl7 s SER 49 Cb 0.19 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.68 3nl7 s SER 49 CO 0.27 -3.02 1.57 1.57 0.98 0.00 0.00 173.24 174.62 3nl7 n HIS 50 N -4.17 2.88 -0.66 5.02 -0.00 -1.26 -1.96 115.22 115.07 3nl7 n HIS 50 Ca 0.10 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.58 3nl7 n HIS 50 Cb 0.53 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 3nl7 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nl7 n GLY 51 N 1.76 0.72 3.67 1.57 0.00 -1.26 -5.00 105.19 106.65 3nl7 n GLY 51 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3nl7 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nl7 s SER 52 N -2.32 6.52 0.53 1.61 0.15 -0.83 -4.88 113.70 114.49 3nl7 s SER 52 Ca 0.00 2.56 0.20 0.00 0.70 0.00 0.00 55.95 59.42 3nl7 s SER 52 Cb 0.00 -2.55 1.36 0.00 -1.71 0.00 0.00 66.02 63.13 3nl7 s SER 52 CO 0.00 -0.98 2.11 0.00 1.20 0.00 0.00 173.24 175.57 3nl7 h ALA 53 N 9.48 2.11 -0.09 5.45 0.00 -1.91 -0.74 119.26 133.57 3nl7 h ALA 53 Ca -0.45 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 3nl7 h ALA 53 Cb 1.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3nl7 h ALA 53 CO 0.94 -0.21 -0.83 1.96 0.00 0.00 0.00 179.25 181.12 3nl7 h GLN 54 N 0.00 0.61 -0.27 0.00 4.20 -1.89 -1.29 115.11 116.46 3nl7 h GLN 54 Ca 0.08 -0.54 -0.17 0.00 0.06 0.00 0.00 58.65 58.08 3nl7 h GLN 54 Cb 0.33 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3nl7 h GLN 54 CO -0.00 1.16 -0.52 0.28 -0.67 0.00 0.00 178.83 179.08 3nl7 h VAL 55 N 0.40 1.29 -0.38 -0.54 2.07 -1.70 -0.84 116.25 116.54 3nl7 h VAL 55 Ca -0.06 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.76 3nl7 h VAL 55 Cb 1.44 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 3nl7 h VAL 55 CO 0.16 0.55 0.21 0.11 0.02 0.00 0.00 177.57 178.62 3nl7 h LYS 56 N 0.61 0.42 -0.62 1.57 1.57 -1.11 0.26 116.57 119.27 3nl7 h LYS 56 Ca 0.02 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3nl7 h LYS 56 Cb 1.10 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3nl7 h LYS 56 CO 0.11 0.28 0.13 0.78 -0.57 0.00 0.00 179.45 180.17 3nl7 h GLY 57 N 0.43 1.08 1.59 3.86 0.00 -1.12 -2.68 103.07 106.23 3nl7 h GLY 57 Ca 0.15 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 3nl7 h GLY 57 CO -0.08 0.65 -0.28 0.84 0.00 0.00 0.00 176.54 177.66 3nl7 h HIS 58 N 0.92 0.53 -0.94 5.60 -0.00 -0.93 -2.66 115.15 117.67 3nl7 h HIS 58 Ca 0.19 -0.12 0.06 0.00 -0.00 0.00 0.00 60.37 60.50 3nl7 h HIS 58 Cb 0.39 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.61 3nl7 h HIS 58 CO 0.03 0.71 0.61 0.78 -0.00 0.00 0.00 177.93 180.06 3nl7 h GLY 59 N 1.04 1.38 1.02 5.26 0.00 -0.62 -0.59 103.07 110.55 3nl7 h GLY 59 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3nl7 h GLY 59 CO 0.05 0.33 -0.04 1.70 0.00 0.00 0.00 176.54 178.59 3nl7 h LYS 60 N 1.10 0.88 -0.31 4.80 1.63 -1.23 -0.53 116.57 122.91 3nl7 h LYS 60 Ca 0.40 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3nl7 h LYS 60 Cb 0.15 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3nl7 h LYS 60 CO -0.15 0.94 0.19 0.87 -3.45 0.00 0.00 179.45 177.85 3nl7 h LYS 61 N 0.73 0.42 -0.09 1.90 1.57 -1.04 -0.25 116.57 119.81 3nl7 h LYS 61 Ca 0.13 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3nl7 h LYS 61 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3nl7 h LYS 61 CO 0.03 0.31 0.03 0.28 -0.57 0.00 0.00 179.45 179.53 3nl7 h VAL 62 N 0.40 0.98 -0.64 0.50 2.07 -1.03 -1.66 116.25 116.88 3nl7 h VAL 62 Ca 0.11 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.71 3nl7 h VAL 62 Cb -0.00 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 3nl7 h VAL 62 CO -0.02 0.01 0.22 0.00 0.02 0.00 0.00 177.57 177.80 3nl7 h ALA 63 N 1.06 0.83 -0.68 1.67 0.00 -0.94 -1.32 119.26 119.87 3nl7 h ALA 63 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3nl7 h ALA 63 Cb 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3nl7 h ALA 63 CO -0.04 -0.22 0.35 -0.44 0.00 0.00 0.00 179.25 178.90 3nl7 h ASP 64 N 0.38 0.86 -0.40 0.00 3.32 -0.59 0.22 116.42 120.21 3nl7 h ASP 64 Ca 0.33 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3nl7 h ASP 64 Cb 0.45 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3nl7 h ASP 64 CO -0.35 0.71 -0.03 0.00 -1.72 0.00 0.00 179.24 177.85 3nl7 h ALA 65 N 1.43 0.55 -0.72 3.45 0.00 -0.67 -0.28 119.26 123.02 3nl7 h ALA 65 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3nl7 h ALA 65 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3nl7 h ALA 65 CO -0.04 0.36 0.36 -0.07 0.00 0.00 0.00 179.25 179.86 3nl7 h LEU 66 N 0.55 0.92 -1.01 0.00 3.38 -0.67 -1.05 115.31 117.43 3nl7 h LEU 66 Ca 0.11 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3nl7 h LEU 66 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3nl7 h LEU 66 CO 0.03 0.78 -0.40 0.71 0.09 0.00 0.00 178.44 179.65 3nl7 h THR 67 N 1.00 1.30 -0.53 0.22 1.35 -0.81 -0.14 112.91 115.31 3nl7 h THR 67 Ca 0.25 -1.47 0.01 0.00 -0.55 0.00 0.00 66.41 64.65 3nl7 h THR 67 Cb 0.09 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 3nl7 h THR 67 CO -0.03 0.44 0.34 -1.13 -0.25 0.00 0.00 175.52 174.88 3nl7 h ASN 68 N 0.15 0.56 -0.68 5.36 -1.24 -0.60 -0.47 115.58 118.67 3nl7 h ASN 68 Ca 0.01 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 3nl7 h ASN 68 Cb 0.78 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.67 3nl7 h ASN 68 CO 0.06 0.40 0.18 0.00 -1.29 0.00 0.00 177.43 176.78 3nl7 h ALA 69 N 1.21 0.89 -0.36 1.57 0.00 -0.53 -1.53 119.26 120.52 3nl7 h ALA 69 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3nl7 h ALA 69 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3nl7 h ALA 69 CO -0.07 0.60 0.20 0.28 0.00 0.00 0.00 179.25 180.26 3nl7 h VAL 70 N 1.01 1.14 0.00 0.00 2.07 -0.76 -1.48 116.25 118.23 3nl7 h VAL 70 Ca 0.21 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3nl7 h VAL 70 Cb 0.35 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3nl7 h VAL 70 CO -0.00 0.14 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 3nl7 h ALA 71 N 1.06 1.17 -1.17 1.67 0.00 -0.88 -3.05 119.26 118.06 3nl7 h ALA 71 Ca 0.13 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.33 3nl7 h ALA 71 Cb 0.06 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 17.39 3nl7 h ALA 71 CO -0.02 0.29 -0.90 0.72 0.00 0.00 0.00 179.25 179.33 3nl7 n HIS 72 N -3.62 2.53 0.28 0.00 -0.00 -0.59 -4.89 115.22 108.93 3nl7 n HIS 72 Ca -0.01 -2.81 0.16 0.00 -0.00 0.00 0.00 57.72 55.06 3nl7 n HIS 72 Cb 0.36 -0.21 0.82 0.00 -0.00 0.00 0.00 29.99 30.96 3nl7 n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 3nl7 h VAL 73 N 2.88 0.29 -0.15 1.59 3.04 -1.16 -0.85 116.25 121.90 3nl7 h VAL 73 Ca 0.17 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3nl7 h VAL 73 Cb 1.11 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3nl7 h VAL 73 CO 0.69 0.07 0.00 0.47 -1.01 0.00 0.00 177.57 177.78 3nl7 n ASP 74 N -3.36 1.81 -2.77 3.17 10.43 -1.26 -4.11 116.55 120.45 3nl7 n ASP 74 Ca -0.01 -1.70 -0.01 0.00 2.57 0.00 0.00 54.79 55.64 3nl7 n ASP 74 Cb 0.23 -0.09 0.08 0.00 1.84 0.00 0.00 41.12 43.17 3nl7 n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3nl7 n ASP 75 N 0.41 0.45 -0.09 -2.24 4.64 -0.35 -4.95 116.55 114.43 3nl7 n ASP 75 Ca 0.17 -2.13 -0.07 0.00 -1.38 0.00 0.00 54.79 51.38 3nl7 n ASP 75 Cb 0.37 -0.05 0.10 0.00 -1.04 0.00 0.00 41.12 40.49 3nl7 n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 3nl7 h MET 76 N 2.07 0.77 -0.82 -0.67 2.86 -1.65 -1.37 114.93 116.13 3nl7 h MET 76 Ca -0.25 -0.30 0.06 0.00 -2.06 0.00 0.00 59.70 57.15 3nl7 h MET 76 Cb 1.28 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.84 3nl7 h MET 76 CO 0.06 0.91 0.50 -1.35 1.06 0.00 0.00 176.91 178.09 3nl7 h PRO 77 N 0.68 0.88 -0.04 -0.22 0.11 -1.92 -0.35 132.00 131.14 3nl7 h PRO 77 Ca 0.10 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3nl7 h PRO 77 Cb 0.71 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 3nl7 h PRO 77 CO 0.05 0.58 -0.06 -0.97 -0.21 0.00 0.00 178.00 177.40 3nl7 h ASN 78 N 0.91 0.12 -0.60 -2.05 -1.24 -1.90 -2.72 115.58 108.09 3nl7 h ASN 78 Ca 0.36 -0.52 0.04 0.00 0.71 0.00 0.00 56.30 56.88 3nl7 h ASN 78 Cb 0.18 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 3nl7 h ASN 78 CO -0.18 0.62 0.39 0.00 -1.29 0.00 0.00 177.43 176.98 3nl7 h ALA 79 N 0.50 1.71 -0.58 1.57 0.00 -0.90 -2.35 119.26 119.21 3nl7 h ALA 79 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3nl7 h ALA 79 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3nl7 h ALA 79 CO 0.01 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3nl7 n LEU 80 N -4.47 4.01 -0.25 0.00 4.77 -0.17 -4.62 117.00 116.28 3nl7 n LEU 80 Ca 0.07 -2.24 -0.06 0.00 -0.03 0.00 0.00 56.01 53.76 3nl7 n LEU 80 Cb 0.15 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3nl7 n LEU 80 CO 0.35 0.84 1.11 0.77 -1.33 0.00 0.00 177.39 179.13 3nl7 h SER 81 N 3.51 0.84 -0.48 -1.43 4.64 -1.08 0.17 113.55 119.71 3nl7 h SER 81 Ca 0.00 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3nl7 h SER 81 Cb 1.13 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3nl7 h SER 81 CO 0.10 0.67 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 3nl7 h ALA 82 N 1.20 0.65 -0.27 5.18 0.00 -1.82 -0.92 119.26 123.28 3nl7 h ALA 82 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3nl7 h ALA 82 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3nl7 h ALA 82 CO -0.04 0.45 -0.07 1.25 0.00 0.00 0.00 179.25 180.84 3nl7 h LEU 83 N 0.70 0.40 -0.39 0.00 5.85 -1.78 -1.12 115.31 118.97 3nl7 h LEU 83 Ca 0.14 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3nl7 h LEU 83 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3nl7 h LEU 83 CO 0.02 0.52 -0.03 0.28 -0.34 0.00 0.00 178.44 178.90 3nl7 h SER 84 N 0.41 0.71 -0.46 1.25 0.02 0.05 -1.10 113.55 114.42 3nl7 h SER 84 Ca 0.08 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3nl7 h SER 84 Cb 0.38 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3nl7 h SER 84 CO 0.02 0.86 0.23 0.44 -1.14 0.00 0.00 176.83 177.24 3nl7 h ASP 85 N 0.53 0.60 0.11 3.07 3.32 -0.80 -1.93 116.42 121.32 3nl7 h ASP 85 Ca 0.11 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3nl7 h ASP 85 Cb 0.52 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3nl7 h ASP 85 CO 0.03 0.56 -0.09 0.25 -1.72 0.00 0.00 179.24 178.26 3nl7 h LEU 86 N 0.61 -0.24 -0.86 1.55 5.85 -0.92 0.57 115.31 121.88 3nl7 h LEU 86 Ca 0.16 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 3nl7 h LEU 86 Cb 0.11 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3nl7 h LEU 86 CO -0.02 -0.14 -0.44 0.45 -0.34 0.00 0.00 178.44 177.95 3nl7 h HIS 87 N -0.21 0.35 0.00 1.25 3.86 -1.09 -1.24 115.15 118.07 3nl7 h HIS 87 Ca -0.00 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3nl7 h HIS 87 Cb 0.20 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3nl7 h HIS 87 CO -0.10 0.69 -0.17 0.00 0.86 0.00 0.00 177.93 179.21 3nl7 h ALA 88 N 1.30 0.02 -0.02 2.45 0.00 -1.28 -0.71 119.26 121.02 3nl7 h ALA 88 Ca 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3nl7 h ALA 88 Cb 0.87 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3nl7 h ALA 88 CO 0.07 0.13 -0.12 0.45 0.00 0.00 0.00 179.25 179.78 3nl7 h HIS 89 N -1.00 0.16 0.00 0.00 3.86 -0.98 -2.85 115.15 114.34 3nl7 h HIS 89 Ca -0.03 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.97 3nl7 h HIS 89 Cb 0.42 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3nl7 h HIS 89 CO 0.05 0.76 -0.81 -0.22 0.86 0.00 0.00 177.93 178.57 3nl7 h LYS 90 N -0.48 0.00 0.00 2.45 3.64 -1.53 -3.40 116.57 117.25 3nl7 h LYS 90 Ca -0.01 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3nl7 h LYS 90 Cb 0.78 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 3nl7 h LYS 90 CO 0.02 0.85 -0.95 -0.07 -2.27 0.00 0.00 179.45 177.03 3nl7 h LEU 91 N -1.00 0.00 -1.17 5.20 3.38 -1.34 -3.48 115.31 116.90 3nl7 h LEU 91 Ca -0.21 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.32 3nl7 h LEU 91 Cb 1.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.87 3nl7 h LEU 91 CO -0.13 0.43 -0.76 0.54 0.09 0.00 0.00 178.44 178.62 3nl7 n ARG 92 N -2.99 -6.00 -2.08 1.13 1.74 -0.64 -4.89 116.66 102.93 3nl7 n ARG 92 Ca -0.03 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 3nl7 n ARG 92 Cb 0.74 -5.53 -0.03 0.00 -1.02 0.00 0.00 32.46 26.62 3nl7 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nl7 s VAL 93 N -3.39 3.60 0.17 1.55 1.01 -0.37 -4.94 120.40 118.03 3nl7 s VAL 93 Ca 0.46 0.84 -0.34 0.00 0.00 0.00 0.00 61.98 62.94 3nl7 s VAL 93 Cb -0.22 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 3nl7 s VAL 93 CO 0.80 -0.05 1.56 -0.67 0.00 0.00 0.00 175.10 176.74 3nl7 n ASP 94 N 6.52 3.06 0.22 3.32 -0.08 -1.26 -4.88 116.55 123.45 3nl7 n ASP 94 Ca 0.16 1.09 0.09 0.00 -1.51 0.00 0.00 54.79 54.61 3nl7 n ASP 94 Cb 0.43 -1.42 0.63 0.00 2.34 0.00 0.00 41.12 43.09 3nl7 n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3nl7 h PRO 95 N 5.80 0.03 -0.74 -0.67 0.13 -1.98 -1.04 132.00 133.53 3nl7 h PRO 95 Ca -0.45 -0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.89 3nl7 h PRO 95 Cb 1.26 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 3nl7 h PRO 95 CO 0.88 0.02 0.53 0.28 -0.23 0.00 0.00 178.00 179.48 3nl7 h VAL 96 N 0.03 0.65 0.00 1.56 2.07 -2.03 -2.36 116.25 116.17 3nl7 h VAL 96 Ca 0.03 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3nl7 h VAL 96 Cb 0.08 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3nl7 h VAL 96 CO -0.00 0.01 -0.29 0.78 0.02 0.00 0.00 177.57 178.09 3nl7 h ASN 97 N 0.06 0.00 -0.00 0.57 2.35 -1.55 -2.43 115.58 114.58 3nl7 h ASN 97 Ca 0.36 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 3nl7 h ASN 97 Cb 1.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 3nl7 h ASN 97 CO -0.03 0.29 -0.13 -0.26 -1.65 0.00 0.00 177.43 175.65 3nl7 h PHE 98 N 0.00 0.29 -0.35 1.19 0.04 -1.57 -1.60 116.94 114.95 3nl7 h PHE 98 Ca -0.00 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 3nl7 h PHE 98 Cb 0.77 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3nl7 h PHE 98 CO 0.00 0.41 -0.16 0.87 -0.60 0.00 0.00 178.31 178.83 3nl7 h LYS 99 N 0.26 0.63 -0.10 1.51 1.57 -1.59 -0.57 116.57 118.29 3nl7 h LYS 99 Ca 0.05 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3nl7 h LYS 99 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3nl7 h LYS 99 CO 0.02 0.76 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.58 3nl7 h LEU 100 N 0.57 0.19 -0.64 2.94 3.38 -1.30 -1.14 115.31 119.31 3nl7 h LEU 100 Ca 0.09 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3nl7 h LEU 100 Cb 0.60 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3nl7 h LEU 100 CO 0.04 0.49 -0.10 0.25 0.09 0.00 0.00 178.44 179.21 3nl7 h LEU 101 N -0.11 0.97 -0.34 1.67 5.85 -1.24 -1.95 115.31 120.15 3nl7 h LEU 101 Ca 0.03 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.47 3nl7 h LEU 101 Cb 0.40 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3nl7 h LEU 101 CO 0.01 1.07 0.14 0.28 -0.34 0.00 0.00 178.44 179.60 3nl7 h SER 102 N 0.87 0.18 -0.36 1.25 0.02 -1.06 0.84 113.55 115.29 3nl7 h SER 102 Ca 0.14 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3nl7 h SER 102 Cb 0.64 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 3nl7 h SER 102 CO 0.04 0.14 0.12 -0.74 -1.14 0.00 0.00 176.83 175.26 3nl7 h HIS 103 N 0.30 0.22 -0.05 3.45 -0.00 -1.05 -1.24 115.15 116.78 3nl7 h HIS 103 Ca 0.15 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.49 3nl7 h HIS 103 Cb 0.10 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 3nl7 h HIS 103 CO -0.12 0.09 -0.21 0.00 -0.00 0.00 0.00 177.93 177.68 3nl7 h LEU 105 N 0.08 0.78 -0.69 0.00 3.38 -0.39 -1.29 115.31 117.18 3nl7 h LEU 105 Ca 0.01 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3nl7 h LEU 105 Cb 0.43 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3nl7 h LEU 105 CO 0.03 0.91 0.27 -0.07 0.09 0.00 0.00 178.44 179.66 3nl7 h LEU 106 N 0.63 0.96 -0.73 1.67 3.38 -0.32 -1.33 115.31 119.57 3nl7 h LEU 106 Ca 0.12 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3nl7 h LEU 106 Cb 0.51 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3nl7 h LEU 106 CO 0.03 0.87 0.23 0.58 0.09 0.00 0.00 178.44 180.24 3nl7 h VAL 107 N 0.98 1.26 -0.54 1.22 2.07 -0.81 -0.71 116.25 119.73 3nl7 h VAL 107 Ca 0.23 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3nl7 h VAL 107 Cb 0.22 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3nl7 h VAL 107 CO -0.02 0.35 0.21 0.74 0.02 0.00 0.00 177.57 178.87 3nl7 h THR 108 N 1.07 1.22 -0.51 2.57 2.02 -0.90 -1.18 112.91 117.20 3nl7 h THR 108 Ca 0.24 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3nl7 h THR 108 Cb 0.30 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3nl7 h THR 108 CO -0.01 0.26 0.16 -0.07 0.37 0.00 0.00 175.52 176.24 3nl7 h LEU 109 N 0.73 0.73 -1.04 2.58 3.38 -1.04 -2.38 115.31 118.28 3nl7 h LEU 109 Ca 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3nl7 h LEU 109 Cb 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3nl7 h LEU 109 CO -0.01 0.74 0.30 0.00 0.09 0.00 0.00 178.44 179.56 3nl7 h ALA 110 N 1.02 1.25 0.00 1.53 0.00 -0.90 0.14 119.26 122.30 3nl7 h ALA 110 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3nl7 h ALA 110 Cb 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nl7 h ALA 110 CO -0.01 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3nl7 h ALA 111 N 1.36 1.00 0.00 0.00 0.00 -0.92 -3.31 119.26 117.39 3nl7 h ALA 111 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3nl7 h ALA 111 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3nl7 h ALA 111 CO -0.03 0.00 -1.49 0.72 0.00 0.00 0.00 179.25 178.45 3nl7 n HIS 112 N -2.84 0.00 -3.22 0.00 -0.00 -0.87 -4.84 115.22 103.45 3nl7 n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.50 3nl7 n HIS 112 Cb 0.35 -0.27 -0.06 0.00 -0.00 0.00 0.00 29.99 30.01 3nl7 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3nl7 n LEU 113 N -1.94 2.30 -0.37 2.41 4.77 0.45 -4.95 117.00 119.67 3nl7 n LEU 113 Ca -0.04 -5.19 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 3nl7 n LEU 113 Cb 0.37 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.59 3nl7 n LEU 113 CO 0.21 2.16 1.27 1.55 -1.33 0.00 0.00 177.39 181.25 3nl7 h PRO 114 N 3.69 1.21 -0.08 3.23 0.13 -1.80 -1.67 132.00 136.70 3nl7 h PRO 114 Ca 0.13 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 3nl7 h PRO 114 Cb 0.75 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3nl7 h PRO 114 CO 0.66 0.80 -0.36 0.00 -0.23 0.00 0.00 178.00 178.87 3nl7 h ALA 115 N 1.41 1.24 0.00 -0.56 0.00 -1.94 -3.24 119.26 116.17 3nl7 h ALA 115 Ca 0.40 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3nl7 h ALA 115 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3nl7 h ALA 115 CO -0.13 0.52 -0.86 0.93 0.00 0.00 0.00 179.25 179.72 3nl7 h GLU 116 N 0.15 0.00 -2.62 0.00 3.07 -1.75 -3.39 114.58 110.04 3nl7 h GLU 116 Ca 0.02 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.21 3nl7 h GLU 116 Cb 0.71 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.53 3nl7 h GLU 116 CO 0.05 0.14 2.44 0.34 -1.40 0.00 0.00 179.01 180.58 3nl7 n PHE 117 N -2.88 2.30 -1.43 4.33 7.35 -0.71 -4.70 117.46 121.72 3nl7 n PHE 117 Ca -0.01 -2.73 -0.29 0.00 -0.76 0.00 0.00 57.45 53.65 3nl7 n PHE 117 Cb 0.64 -1.95 0.12 0.00 0.35 0.00 0.00 39.48 38.65 3nl7 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nl7 s THR 118 N -0.28 2.55 0.26 -2.13 -4.23 -1.26 -4.74 115.64 105.81 3nl7 s THR 118 Ca 0.60 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 3nl7 s THR 118 Cb 0.21 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.47 3nl7 s THR 118 CO -0.09 -0.23 1.89 -0.65 -0.54 0.00 0.00 174.62 174.99 3nl7 h PRO 119 N -1.40 1.17 -0.59 3.99 0.11 -1.99 0.14 132.00 133.43 3nl7 h PRO 119 Ca -0.49 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.52 3nl7 h PRO 119 Cb 1.30 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3nl7 h PRO 119 CO 0.59 0.78 0.28 0.00 -0.21 0.00 0.00 178.00 179.44 3nl7 h ALA 120 N 1.43 0.77 -0.04 -0.75 0.00 -1.96 -1.51 119.26 117.20 3nl7 h ALA 120 Ca 0.41 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 3nl7 h ALA 120 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nl7 h ALA 120 CO -0.15 0.34 -0.79 0.28 0.00 0.00 0.00 179.25 178.93 3nl7 h VAL 121 N 0.81 1.41 -0.19 0.00 2.07 -1.77 -1.81 116.25 116.78 3nl7 h VAL 121 Ca 0.20 -2.29 0.04 0.00 0.82 0.00 0.00 66.70 65.47 3nl7 h VAL 121 Cb 0.13 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3nl7 h VAL 121 CO -0.02 0.68 -0.07 -0.74 0.02 0.00 0.00 177.57 177.44 3nl7 h HIS 122 N 0.22 -0.15 -0.62 1.57 6.17 -0.54 0.23 115.15 122.03 3nl7 h HIS 122 Ca -0.04 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.09 3nl7 h HIS 122 Cb 1.38 0.10 -0.04 0.00 2.52 0.00 0.00 27.41 31.36 3nl7 h HIS 122 CO 0.04 -0.11 0.38 0.00 0.71 0.00 0.00 177.93 178.95 3nl7 h ALA 123 N 1.16 0.80 -0.44 5.26 0.00 -1.08 -0.63 119.26 124.32 3nl7 h ALA 123 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3nl7 h ALA 123 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3nl7 h ALA 123 CO -0.22 0.12 0.27 0.77 0.00 0.00 0.00 179.25 180.20 3nl7 h SER 124 N 0.75 0.52 -0.60 0.00 0.02 -0.89 -0.62 113.55 112.72 3nl7 h SER 124 Ca 0.25 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3nl7 h SER 124 Cb 0.02 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3nl7 h SER 124 CO -0.10 0.41 0.06 -0.07 -1.14 0.00 0.00 176.83 175.99 3nl7 h LEU 125 N 0.58 1.00 -0.44 5.07 3.38 -0.67 -0.97 115.31 123.27 3nl7 h LEU 125 Ca 0.16 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3nl7 h LEU 125 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3nl7 h LEU 125 CO -0.03 1.02 0.11 -0.78 0.09 0.00 0.00 178.44 178.85 3nl7 h ASP 126 N 0.96 0.66 -0.89 -0.43 1.82 -0.79 0.10 116.42 117.85 3nl7 h ASP 126 Ca 0.18 -0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 3nl7 h ASP 126 Cb 0.48 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 3nl7 h ASP 126 CO 0.02 0.72 0.49 0.11 -1.61 0.00 0.00 179.24 178.97 3nl7 h LYS 127 N 0.57 1.25 -0.11 0.28 1.57 -0.85 -0.82 116.57 118.46 3nl7 h LYS 127 Ca 0.14 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3nl7 h LYS 127 Cb 0.32 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3nl7 h LYS 127 CO 0.00 0.91 0.03 0.35 -0.57 0.00 0.00 179.45 180.17 3nl7 h PHE 128 N 1.25 0.19 -0.15 -1.35 3.57 -0.89 0.42 116.94 119.98 3nl7 h PHE 128 Ca 0.32 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 3nl7 h PHE 128 Cb 0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3nl7 h PHE 128 CO 0.01 0.35 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.09 3nl7 h LEU 129 N -0.03 0.29 -0.81 0.59 3.38 -0.84 0.15 115.31 118.04 3nl7 h LEU 129 Ca 0.04 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3nl7 h LEU 129 Cb 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3nl7 h LEU 129 CO 0.00 0.57 -0.09 0.00 0.09 0.00 0.00 178.44 179.01 3nl7 h ALA 130 N 1.45 1.00 -0.46 1.53 0.00 -0.89 -0.10 119.26 121.79 3nl7 h ALA 130 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3nl7 h ALA 130 Cb 0.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3nl7 h ALA 130 CO 0.05 0.60 -0.04 0.77 0.00 0.00 0.00 179.25 180.63 3nl7 h SER 131 N 0.72 0.84 -0.49 0.00 0.02 0.03 0.37 113.55 115.04 3nl7 h SER 131 Ca 0.12 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3nl7 h SER 131 Cb 0.57 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3nl7 h SER 131 CO 0.04 0.97 0.30 0.58 -1.14 0.00 0.00 176.83 177.57 3nl7 h VAL 132 N 0.70 1.15 -0.74 2.27 2.07 -0.81 -2.06 116.25 118.82 3nl7 h VAL 132 Ca 0.13 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3nl7 h VAL 132 Cb 0.56 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3nl7 h VAL 132 CO 0.03 0.16 0.28 0.28 0.02 0.00 0.00 177.57 178.34 3nl7 h SER 133 N 0.66 1.03 -0.54 0.57 0.02 -0.79 -0.79 113.55 113.71 3nl7 h SER 133 Ca 0.18 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3nl7 h SER 133 Cb -0.01 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3nl7 h SER 133 CO -0.03 0.93 0.30 0.74 -1.14 0.00 0.00 176.83 177.63 3nl7 h THR 134 N 1.07 1.00 -0.52 -2.27 2.02 -0.66 -1.20 112.91 112.35 3nl7 h THR 134 Ca 0.24 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3nl7 h THR 134 Cb 0.24 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3nl7 h THR 134 CO -0.02 0.11 0.16 0.58 0.37 0.00 0.00 175.52 176.72 3nl7 h VAL 135 N 0.58 1.23 0.00 3.16 2.07 -0.94 -2.63 116.25 119.72 3nl7 h VAL 135 Ca 0.23 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3nl7 h VAL 135 Cb 0.09 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3nl7 h VAL 135 CO -0.13 0.29 0.00 0.18 0.02 0.00 0.00 177.57 177.93 3nl7 n LEU 136 N -4.48 0.36 -0.53 2.57 4.77 -0.34 -2.03 117.00 117.32 3nl7 n LEU 136 Ca 0.02 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 3nl7 n LEU 136 Cb 0.20 -0.52 0.17 0.00 -2.33 0.00 0.00 43.42 40.94 3nl7 n LEU 136 CO 0.39 -0.37 0.63 0.35 -1.33 0.00 0.00 177.39 177.06 3nl7 n THR 137 N -1.89 1.70 1.09 -5.08 -2.24 -0.50 -4.48 114.28 102.88 3nl7 n THR 137 Ca 0.03 -1.61 0.13 0.00 -2.27 0.00 0.00 64.05 60.32 3nl7 n THR 137 Cb 0.23 0.05 0.33 0.00 -2.10 0.00 0.00 70.33 68.84 3nl7 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nl7 n SER 138 N -0.44 0.60 -1.32 3.42 3.41 -0.86 -4.28 113.62 114.13 3nl7 n SER 138 Ca 0.15 -0.39 -0.01 0.00 -0.26 0.00 0.00 58.87 58.36 3nl7 n SER 138 Cb 0.63 0.14 0.25 0.00 -0.26 0.00 0.00 64.21 64.97 3nl7 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3nl7 n LYS 139 N -1.24 2.75 -2.67 4.33 4.76 -1.26 -4.99 118.16 119.84 3nl7 n LYS 139 Ca 0.08 -3.02 -0.42 0.00 -2.87 0.00 0.00 58.31 52.07 3nl7 n LYS 139 Cb 0.33 -1.95 -0.03 0.00 -1.84 0.00 0.00 35.03 31.55 3nl7 n LYS 139 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3nl7 s TYR 140 N -3.03 3.59 0.00 2.13 2.02 -1.26 -4.64 117.35 116.15 3nl7 s TYR 140 Ca 0.47 1.62 0.00 0.00 -0.37 0.00 0.00 57.07 58.79 3nl7 s TYR 140 Cb 0.39 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.78 3nl7 s TYR 140 CO 0.07 -0.23 0.32 2.89 -1.57 0.00 0.00 175.55 177.03