#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npq s SER 2 N 0.00 5.25 0.00 0.00 0.01 -1.26 -5.02 113.70 112.68 1npq s SER 2 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1npq s SER 2 Cb 0.00 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1npq s SER 2 CO 0.00 -0.60 0.00 0.23 0.41 0.00 0.00 173.24 173.28 1npq n MET 3 N -1.58 0.00 -3.69 12.44 2.00 -1.26 -5.10 117.12 119.93 1npq n MET 3 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.49 1npq n MET 3 Cb 0.61 -0.03 -0.17 0.00 0.00 0.00 0.00 33.22 33.63 1npq n MET 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1npq s THR 4 N -1.61 0.17 -1.82 2.03 -1.32 -1.26 -4.99 115.64 106.83 1npq s THR 4 Ca 0.00 -0.04 0.16 0.00 -1.21 0.00 0.00 61.69 60.59 1npq s THR 4 Cb 0.00 -0.57 0.19 0.00 -1.51 0.00 0.00 72.50 70.61 1npq s THR 4 CO 0.00 -0.02 1.08 0.47 -2.21 0.00 0.00 174.62 173.94 1npq n ASP 5 N 5.20 2.53 0.21 8.08 9.92 -1.26 -4.51 116.55 136.72 1npq n ASP 5 Ca -0.07 -1.73 0.18 0.00 -0.53 0.00 0.00 54.79 52.65 1npq n ASP 5 Cb 0.49 -0.07 0.83 0.00 -0.64 0.00 0.00 41.12 41.73 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1npq h GLN 6 N 3.03 0.00 0.00 -1.24 3.07 -2.01 0.39 115.11 118.36 1npq h GLN 6 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 1npq h GLN 6 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 1npq h GLN 6 CO 0.00 0.00 -0.28 1.96 0.09 0.00 0.00 178.83 180.60 1npq h GLN 7 N 0.00 0.00 0.01 0.06 4.20 -1.88 -2.64 115.11 114.87 1npq h GLN 7 Ca 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1npq h GLN 7 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1npq h GLN 7 CO -0.00 0.28 -0.01 0.00 -0.67 0.00 0.00 178.83 178.44 1npq h ALA 8 N 1.72 -0.02 -0.88 3.87 0.00 -0.55 -3.31 119.26 120.10 1npq h ALA 8 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1npq h ALA 8 Cb 0.98 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1npq h ALA 8 CO 0.04 -0.05 0.58 0.93 0.00 0.00 0.00 179.25 180.74 1npq h GLU 9 N -0.94 1.05 -0.63 0.00 5.08 -1.58 -2.67 114.58 114.88 1npq h GLU 9 Ca -0.00 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1npq h GLU 9 Cb 0.79 -0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 1npq h GLU 9 CO 0.00 0.69 -0.40 0.00 -1.00 0.00 0.00 179.01 178.30 1npq h ALA 10 N 1.49 -0.21 -0.37 3.43 0.00 -1.56 1.28 119.26 123.33 1npq h ALA 10 Ca 0.35 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.51 1npq h ALA 10 Cb 0.05 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1npq h ALA 10 CO -0.11 -0.77 0.39 -0.09 0.00 0.00 0.00 179.25 178.67 1npq h ARG 11 N -0.18 0.00 0.00 0.00 2.43 -1.56 0.23 114.38 115.30 1npq h ARG 11 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1npq h ARG 11 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1npq h ARG 11 CO -0.72 0.00 -1.50 0.00 -1.51 0.00 0.00 179.97 176.25 1npq n ALA 12 N -2.36 3.35 0.17 2.80 0.00 0.29 -4.24 120.51 120.52 1npq n ALA 12 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.02 1npq n ALA 12 Cb 0.55 -0.83 0.29 0.00 0.00 0.00 0.00 19.45 19.47 1npq n ALA 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1npq h PHE 13 N 0.00 0.00 -0.53 0.00 3.57 0.46 -3.45 116.94 117.00 1npq h PHE 13 Ca 0.00 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.91 1npq h PHE 13 Cb 0.83 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1npq h PHE 13 CO 0.00 0.46 -0.30 -0.51 -2.23 0.00 0.00 178.31 175.73 1npq s LEU 14 N -7.88 2.68 0.42 0.59 1.02 -1.11 -5.08 118.68 109.32 1npq s LEU 14 Ca -0.02 -1.26 -0.01 0.00 0.02 0.00 0.00 54.13 52.86 1npq s LEU 14 Cb 0.14 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 45.16 1npq s LEU 14 CO 0.73 -1.13 0.65 -0.44 0.02 0.00 0.00 176.35 176.18 1npq s SER 15 N -4.29 6.10 0.56 2.29 0.01 -1.26 -4.95 113.70 112.16 1npq s SER 15 Ca 0.34 0.49 0.31 0.00 1.31 0.00 0.00 55.95 58.40 1npq s SER 15 Cb -0.02 -1.89 1.45 0.00 0.21 0.00 0.00 66.02 65.77 1npq s SER 15 CO 0.21 -0.52 1.83 -0.08 0.41 0.00 0.00 173.24 175.09 1npq h GLU 16 N 0.50 0.00 0.15 12.44 4.81 -1.99 0.11 114.58 130.60 1npq h GLU 16 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1npq h GLU 16 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1npq h GLU 16 CO 0.60 0.00 -0.07 0.93 -0.73 0.00 0.00 179.01 179.74 1npq h GLU 17 N 0.00 -0.19 0.00 1.92 3.07 -1.99 0.41 114.58 117.80 1npq h GLU 17 Ca 0.38 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1npq h GLU 17 Cb 1.73 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.68 1npq h GLU 17 CO -0.00 -0.11 -0.02 1.98 -1.40 0.00 0.00 179.01 179.45 1npq h MET 18 N -0.22 0.00 0.00 2.33 4.05 -1.15 -2.40 114.93 117.54 1npq h MET 18 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1npq h MET 18 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1npq h MET 18 CO 0.03 0.02 -0.01 0.82 0.23 0.00 0.00 176.91 178.00 1npq h ILE 19 N 0.00 0.00 -0.67 1.77 2.04 -0.98 -0.68 117.51 118.99 1npq h ILE 19 Ca -0.00 -0.61 0.20 0.00 1.00 0.00 0.00 64.86 65.45 1npq h ILE 19 Cb 0.30 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1npq h ILE 19 CO 0.00 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.79 1npq h ALA 20 N -1.39 2.48 0.02 1.87 0.00 -0.96 0.79 119.26 122.07 1npq h ALA 20 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1npq h ALA 20 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1npq h ALA 20 CO 0.00 -0.98 -1.58 0.93 0.00 0.00 0.00 179.25 177.62 1npq h GLU 21 N 0.00 0.05 -0.52 0.00 5.08 -1.54 -3.30 114.58 114.34 1npq h GLU 21 Ca 0.32 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1npq h GLU 21 Cb 1.58 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 1npq h GLU 21 CO -0.00 0.71 0.29 0.74 -1.00 0.00 0.00 179.01 179.75 1npq h PHE 22 N 0.01 0.69 0.00 4.33 0.04 0.22 0.25 116.94 122.48 1npq h PHE 22 Ca -0.24 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1npq h PHE 22 Cb 1.97 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.89 1npq h PHE 22 CO 0.01 0.48 0.00 1.17 -0.60 0.00 0.00 178.31 179.37 1npq n LYS 23 N -4.41 0.12 0.00 1.51 3.00 -0.56 -4.20 118.16 113.62 1npq n LYS 23 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1npq n LYS 23 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1npq n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1npq n ALA 24 N -1.44 -0.10 0.98 3.14 0.00 0.08 -1.54 120.51 121.64 1npq n ALA 24 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1npq n ALA 24 Cb 0.30 0.29 0.51 0.00 0.00 0.00 0.00 19.45 20.55 1npq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1npq n ALA 25 N -2.08 2.07 -0.29 0.00 0.00 -1.26 -3.67 120.51 115.27 1npq n ALA 25 Ca 0.00 -0.10 0.34 0.00 0.00 0.00 0.00 53.44 53.68 1npq n ALA 25 Cb 0.00 -1.31 0.73 0.00 0.00 0.00 0.00 19.45 18.86 1npq n ALA 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1npq h PHE 26 N 0.00 0.00 0.00 0.00 3.04 -1.45 0.69 116.94 119.22 1npq h PHE 26 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1npq h PHE 26 Cb 0.13 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1npq h PHE 26 CO 0.00 0.00 -0.05 -0.44 -2.02 0.00 0.00 178.31 175.80 1npq h ASP 27 N 0.00 0.00 -0.12 0.41 3.32 -1.72 -3.29 116.42 115.03 1npq h ASP 27 Ca 0.54 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.55 1npq h ASP 27 Cb 2.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.86 1npq h ASP 27 CO -0.01 0.56 0.09 0.24 -1.72 0.00 0.00 179.24 178.41 1npq h MET 28 N -1.00 0.00 0.00 3.56 2.86 -1.56 -3.16 114.93 115.63 1npq h MET 28 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1npq h MET 28 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1npq h MET 28 CO -0.00 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.16 1npq n PHE 29 N -4.31 0.00 -1.66 -0.22 3.72 0.23 -4.56 117.46 110.66 1npq n PHE 29 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1npq n PHE 29 Cb 0.21 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 1npq n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1npq n ASP 30 N -1.51 4.13 -0.10 4.37 8.00 -1.19 -4.84 116.55 125.40 1npq n ASP 30 Ca 0.00 0.90 -0.23 0.00 0.71 0.00 0.00 54.79 56.17 1npq n ASP 30 Cb 0.00 -1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 39.47 1npq n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1npq n ALA 31 N 7.51 0.88 0.04 2.24 0.00 -1.26 -4.46 120.51 125.46 1npq n ALA 31 Ca 0.20 -0.62 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 1npq n ALA 31 Cb 0.40 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 1npq n ALA 31 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1npq h ASP 32 N -0.91 0.00 -3.58 0.00 2.03 -1.96 -3.49 116.42 108.50 1npq h ASP 32 Ca -0.42 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.82 1npq h ASP 32 Cb 1.43 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.97 1npq h ASP 32 CO -0.23 0.66 -0.17 0.61 -1.03 0.00 0.00 179.24 179.07 1npq n GLY 33 N 1.39 0.28 0.00 7.15 0.00 -1.26 -4.96 105.19 107.79 1npq n GLY 33 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1npq n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npq n GLY 34 N -1.40 0.00 0.79 -0.02 0.00 -1.26 -5.05 105.19 98.25 1npq n GLY 34 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1npq n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npq n GLY 35 N 0.00 0.19 2.39 -0.02 0.00 -1.26 -5.16 105.19 101.33 1npq n GLY 35 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1npq n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1npq n ASP 36 N 0.00 -4.95 -4.70 1.61 8.00 -1.26 -4.67 116.55 110.59 1npq n ASP 36 Ca -0.17 0.73 -0.38 0.00 0.71 0.00 0.00 54.79 55.69 1npq n ASP 36 Cb 0.53 -2.21 -0.07 0.00 -0.02 0.00 0.00 41.12 39.35 1npq n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1npq s ILE 37 N -1.33 5.21 0.00 0.53 1.01 -1.05 -4.79 121.20 120.78 1npq s ILE 37 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1npq s ILE 37 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1npq s ILE 37 CO 0.00 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 175.00 1npq n SER 38 N 4.07 0.20 0.27 3.58 2.88 -1.26 -0.84 113.62 122.52 1npq n SER 38 Ca -0.08 -0.30 -0.11 0.00 -1.33 0.00 0.00 58.87 57.05 1npq n SER 38 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1npq n SER 38 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1npq h THR 39 N 0.03 0.00 -0.71 2.46 1.35 -1.95 -3.17 112.91 110.91 1npq h THR 39 Ca 0.00 -0.29 0.12 0.00 -0.55 0.00 0.00 66.41 65.68 1npq h THR 39 Cb 0.00 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.37 1npq h THR 39 CO 0.00 0.00 0.47 0.07 -0.25 0.00 0.00 175.52 175.81 1npq h LYS 40 N -1.01 0.47 -0.09 4.72 5.09 -1.99 0.29 116.57 124.05 1npq h LYS 40 Ca -0.07 -0.03 0.03 0.00 0.09 0.00 0.00 60.65 60.67 1npq h LYS 40 Cb 0.55 -0.11 -0.00 0.00 0.10 0.00 0.00 32.23 32.77 1npq h LYS 40 CO 0.12 0.31 0.10 0.93 -2.09 0.00 0.00 179.45 178.82 1npq h GLU 41 N 0.48 0.00 0.00 0.07 5.08 -1.88 -2.63 114.58 115.71 1npq h GLU 41 Ca 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1npq h GLU 41 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1npq h GLU 41 CO -0.11 0.00 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.71 1npq h LEU 42 N 0.00 0.00 -1.83 1.33 -0.00 -0.91 -3.34 115.31 110.55 1npq h LEU 42 Ca 0.05 -0.22 0.27 0.00 -0.00 0.00 0.00 57.88 57.98 1npq h LEU 42 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.87 1npq h LEU 42 CO -0.00 0.68 0.81 1.23 -0.00 0.00 0.00 178.44 181.15 1npq h GLY 43 N -1.00 0.00 0.00 0.83 0.00 -1.41 -0.25 103.07 101.24 1npq h GLY 43 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1npq h GLY 43 CO -0.01 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.94 1npq n THR 44 N -3.87 0.00 0.23 4.70 -1.04 -1.01 -0.26 114.28 113.03 1npq n THR 44 Ca 0.20 1.07 0.07 0.00 -2.04 0.00 0.00 64.05 63.35 1npq n THR 44 Cb 1.12 -2.04 0.60 0.00 -1.82 0.00 0.00 70.33 68.19 1npq n THR 44 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1npq h VAL 45 N 0.00 1.03 -0.08 12.58 3.04 -1.66 -1.29 116.25 129.87 1npq h VAL 45 Ca 0.00 -0.12 -0.14 0.00 -1.01 0.00 0.00 66.70 65.43 1npq h VAL 45 Cb 0.00 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 1npq h VAL 45 CO 0.00 0.04 -0.59 0.24 -1.01 0.00 0.00 177.57 176.25 1npq h MET 46 N 0.05 0.26 0.00 4.17 2.86 -1.08 -2.56 114.93 118.62 1npq h MET 46 Ca 0.01 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.31 1npq h MET 46 Cb 0.05 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1npq h MET 46 CO 0.00 0.77 -1.07 0.00 1.06 0.00 0.00 176.91 177.66 1npq h ARG 47 N 0.19 0.00 -0.52 1.72 3.08 0.07 0.78 114.38 119.70 1npq h ARG 47 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1npq h ARG 47 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1npq h ARG 47 CO 0.09 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 179.51 1npq n MET 48 N -3.11 2.23 -0.00 0.04 0.00 -0.55 -4.24 117.12 111.49 1npq n MET 48 Ca -0.05 -1.87 -0.00 0.00 0.00 0.00 0.00 57.70 55.78 1npq n MET 48 Cb 0.85 -1.42 -0.00 0.00 0.00 0.00 0.00 33.22 32.65 1npq n MET 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1npq n LEU 49 N 1.00 2.61 0.00 3.17 4.77 -0.97 -5.03 117.00 122.55 1npq n LEU 49 Ca 0.17 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1npq n LEU 49 Cb 0.45 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1npq n LEU 49 CO 0.12 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1npq n GLY 50 N 3.42 1.36 3.73 -0.72 0.00 -1.14 -5.11 105.19 106.74 1npq n GLY 50 Ca -0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1npq n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1npq s GLN 51 N 0.00 1.72 -0.33 1.61 2.00 0.25 -4.94 119.66 119.98 1npq s GLN 51 Ca 0.00 1.15 0.17 0.00 -2.00 0.00 0.00 55.36 54.67 1npq s GLN 51 Cb 0.00 -1.84 0.45 0.00 0.80 0.00 0.00 33.01 32.42 1npq s GLN 51 CO 0.00 -2.01 1.06 -1.71 -0.50 0.00 0.00 175.29 172.13 1npq n ASN 52 N -3.77 0.76 -4.59 6.67 5.15 -1.26 -3.34 115.26 114.88 1npq n ASN 52 Ca 0.09 -2.58 -0.42 0.00 -0.60 0.00 0.00 54.58 51.06 1npq n ASN 52 Cb 0.53 -0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.55 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1npq s PRO 53 N -2.49 3.47 1.23 1.20 0.04 -1.26 -5.01 135.00 132.18 1npq s PRO 53 Ca 0.26 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 1npq s PRO 53 Cb 0.44 -4.06 0.30 0.00 0.04 0.00 0.00 34.50 31.22 1npq s PRO 53 CO 0.00 -1.71 1.02 -0.08 0.04 0.00 0.00 177.00 176.28 1npq s THR 54 N 5.62 1.69 0.35 1.26 -1.32 -1.26 -4.38 115.64 117.60 1npq s THR 54 Ca 0.56 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.16 1npq s THR 54 Cb -0.12 -2.22 0.34 0.00 -1.51 0.00 0.00 72.50 68.99 1npq s THR 54 CO 0.29 0.00 1.78 0.11 -2.21 0.00 0.00 174.62 174.59 1npq h LYS 55 N -2.75 0.57 -0.08 7.08 1.79 -1.97 0.38 116.57 121.58 1npq h LYS 55 Ca -0.52 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 57.81 1npq h LYS 55 Cb 1.33 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 1npq h LYS 55 CO 0.42 0.38 -0.42 0.00 -1.08 0.00 0.00 179.45 178.75 1npq h GLU 57 N 0.15 -0.24 0.00 0.00 4.39 -0.59 -2.95 114.58 115.34 1npq h GLU 57 Ca 0.01 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1npq h GLU 57 Cb 0.80 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1npq h GLU 57 CO 0.06 0.17 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.75 1npq h LEU 58 N -0.86 0.00 -1.33 1.33 3.38 -1.19 -2.19 115.31 114.45 1npq h LEU 58 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1npq h LEU 58 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1npq h LEU 58 CO 0.04 0.27 -0.23 0.44 0.09 0.00 0.00 178.44 179.05 1npq h ASP 59 N 0.00 0.00 0.95 -0.43 3.32 -1.00 -0.23 116.42 119.03 1npq h ASP 59 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1npq h ASP 59 Cb 0.54 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1npq h ASP 59 CO 0.03 0.23 -0.96 0.00 -1.72 0.00 0.00 179.24 176.83 1npq h ALA 60 N 1.77 0.42 0.00 3.45 0.00 -1.21 -3.05 119.26 120.64 1npq h ALA 60 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1npq h ALA 60 Cb 0.65 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1npq h ALA 60 CO 0.03 1.19 -0.15 0.82 0.00 0.00 0.00 179.25 181.14 1npq h ILE 61 N 0.00 0.26 -0.83 0.00 5.03 -1.38 -3.27 117.51 117.32 1npq h ILE 61 Ca -0.01 -1.22 0.21 0.00 -0.12 0.00 0.00 64.86 63.72 1npq h ILE 61 Cb 1.69 0.52 -0.14 0.00 -3.03 0.00 0.00 36.82 35.86 1npq h ILE 61 CO 0.13 0.09 0.13 0.40 -0.68 0.00 0.00 178.15 178.22 1npq h ILE 62 N -1.00 0.31 -0.79 -0.67 2.04 -1.20 1.03 117.51 117.23 1npq h ILE 62 Ca -0.01 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 65.89 1npq h ILE 62 Cb 0.27 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1npq h ILE 62 CO -0.01 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.60 1npq h GLU 64 N 0.72 0.18 -0.49 0.00 5.08 -0.16 -3.24 114.58 116.67 1npq h GLU 64 Ca 0.39 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1npq h GLU 64 Cb 0.39 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1npq h GLU 64 CO -0.26 0.98 0.08 0.28 -1.00 0.00 0.00 179.01 179.09 1npq h VAL 65 N 0.09 1.25 -2.59 3.13 2.07 0.24 -3.38 116.25 117.06 1npq h VAL 65 Ca -0.05 -0.92 -0.62 0.00 0.82 0.00 0.00 66.70 65.94 1npq h VAL 65 Cb 1.58 0.90 -0.13 0.00 -1.52 0.00 0.00 31.29 32.12 1npq h VAL 65 CO 0.14 0.33 0.64 -1.81 0.02 0.00 0.00 177.57 176.89 1npq s ASP 66 N -6.20 6.18 0.32 0.57 1.11 0.22 -4.82 116.67 114.06 1npq s ASP 66 Ca -0.13 -0.93 0.15 0.00 0.18 0.00 0.00 52.55 51.82 1npq s ASP 66 Cb 0.11 -2.44 0.50 0.00 1.07 0.00 0.00 42.92 42.16 1npq s ASP 66 CO 0.80 -1.50 1.66 -0.33 1.18 0.00 0.00 175.17 176.98 1npq h GLU 67 N 9.63 0.00 0.00 8.23 4.39 -1.80 -3.07 114.58 131.96 1npq h GLU 67 Ca -0.27 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.23 1npq h GLU 67 Cb 1.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1npq h GLU 67 CO 1.20 0.50 -1.13 0.38 -1.16 0.00 0.00 179.01 178.80 1npq h ASP 68 N 0.00 0.00 -0.93 1.42 2.03 -1.93 -3.49 116.42 113.52 1npq h ASP 68 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1npq h ASP 68 Cb 1.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1npq h ASP 68 CO 0.06 0.80 0.00 0.61 -1.03 0.00 0.00 179.24 179.68 1npq n GLY 69 N 1.38 0.63 0.02 7.15 0.00 -1.16 -5.03 105.19 108.18 1npq n GLY 69 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1npq n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1npq n SER 70 N -0.46 2.74 0.00 1.61 3.41 -1.26 -5.00 113.62 114.65 1npq n SER 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1npq n SER 70 Cb 0.20 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1npq n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1npq n GLY 71 N 2.18 1.83 3.79 5.00 0.00 -1.26 -5.02 105.19 111.70 1npq n GLY 71 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1npq n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1npq s THR 72 N -2.90 4.60 -0.30 2.61 -4.23 -1.26 -4.46 115.64 109.70 1npq s THR 72 Ca 0.00 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.67 1npq s THR 72 Cb 0.00 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.61 1npq s THR 72 CO 0.00 0.10 0.09 -0.63 -0.54 0.00 0.00 174.62 173.64 1npq s ILE 73 N -1.43 4.08 0.53 2.99 1.01 -0.02 -4.76 121.20 123.59 1npq s ILE 73 Ca 0.30 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 1npq s ILE 73 Cb -0.12 -3.09 0.13 0.00 0.01 0.00 0.00 42.46 39.39 1npq s ILE 73 CO 0.23 0.09 0.42 -0.67 0.00 0.00 0.00 174.94 175.00 1npq n ASP 74 N 4.89 -1.88 0.00 3.58 2.03 -1.26 -2.53 116.55 121.38 1npq n ASP 74 Ca -0.14 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1npq n ASP 74 Cb 0.48 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1npq n ASP 74 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1npq n PHE 75 N -3.67 0.00 0.28 -0.67 3.01 -1.26 -3.08 117.46 112.06 1npq n PHE 75 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.64 1npq n PHE 75 Cb 0.24 -0.09 0.78 0.00 -0.01 0.00 0.00 39.48 40.40 1npq n PHE 75 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1npq h GLU 76 N 0.00 0.00 -0.36 -1.08 4.39 -1.94 -1.99 114.58 113.60 1npq h GLU 76 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1npq h GLU 76 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1npq h GLU 76 CO 0.00 0.03 0.44 0.93 -1.16 0.00 0.00 179.01 179.25 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.82 0.38 114.58 120.55 1npq h GLU 77 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1npq h GLU 77 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1npq h GLU 77 CO 0.00 0.00 0.00 0.35 -1.00 0.00 0.00 179.01 178.36 1npq h PHE 78 N 0.00 0.00 0.05 4.33 3.57 -1.28 -1.20 116.94 122.41 1npq h PHE 78 Ca 0.17 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.30 1npq h PHE 78 Cb 1.04 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1npq h PHE 78 CO 0.00 0.00 -2.18 1.28 -2.23 0.00 0.00 178.31 175.18 1npq n LEU 79 N -2.35 2.61 0.06 0.59 4.32 0.13 -4.31 117.00 118.05 1npq n LEU 79 Ca 0.01 0.11 -0.01 0.00 -0.02 0.00 0.00 56.01 56.10 1npq n LEU 79 Cb 0.20 -0.98 0.27 0.00 -1.62 0.00 0.00 43.42 41.29 1npq n LEU 79 CO 0.19 0.79 0.79 1.62 -1.22 0.00 0.00 177.39 179.56 1npq h VAL 80 N -0.20 1.24 -0.88 4.08 3.04 -1.41 -2.07 116.25 120.04 1npq h VAL 80 Ca -0.51 -1.12 0.19 0.00 -1.01 0.00 0.00 66.70 64.25 1npq h VAL 80 Cb 1.85 1.33 -0.11 0.00 -2.01 0.00 0.00 31.29 32.35 1npq h VAL 80 CO -0.08 0.35 0.41 0.00 -1.01 0.00 0.00 177.57 177.25 1npq h MET 81 N 0.33 0.47 0.00 4.17 -0.00 -1.41 0.32 114.93 118.81 1npq h MET 81 Ca 0.05 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.70 59.63 1npq h MET 81 Cb 0.57 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.05 1npq h MET 81 CO 0.04 0.31 -0.89 0.52 -0.00 0.00 0.00 176.91 176.89 1npq h MET 82 N 0.48 0.00 -0.39 -0.10 2.07 -1.70 -3.31 114.93 111.98 1npq h MET 82 Ca 0.53 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 58.03 1npq h MET 82 Cb 0.92 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.64 1npq h MET 82 CO -0.47 0.27 -0.27 0.28 1.07 0.00 0.00 176.91 177.79 1npq h VAL 83 N 0.00 1.27 0.00 -2.22 2.07 0.11 0.85 116.25 118.33 1npq h VAL 83 Ca -0.06 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1npq h VAL 83 Cb 1.34 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1npq h VAL 83 CO 0.04 0.47 -0.14 0.03 0.02 0.00 0.00 177.57 177.99 1npq h ARG 84 N 0.70 0.00 0.00 1.57 3.08 -0.63 -0.78 114.38 118.31 1npq h ARG 84 Ca 0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 1npq h ARG 84 Cb 0.81 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1npq h ARG 84 CO 0.07 0.14 -2.14 1.04 -1.07 0.00 0.00 179.97 178.01 1npq n GLN 85 N -3.63 0.67 -0.04 0.04 1.13 -0.97 -4.34 117.38 110.23 1npq n GLN 85 Ca -0.02 -0.08 -0.15 0.00 -1.94 0.00 0.00 57.00 54.81 1npq n GLN 85 Cb 0.26 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 1npq n GLN 85 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 1npq h MET 86 N 0.00 0.79 -2.59 -1.09 2.86 0.11 -3.29 114.93 111.72 1npq h MET 86 Ca -0.27 -0.57 -0.59 0.00 -2.06 0.00 0.00 59.70 56.22 1npq h MET 86 Cb 1.62 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 33.31 1npq h MET 86 CO 0.02 1.19 2.28 1.63 1.06 0.00 0.00 176.91 183.08 1npq n LYS 87 N -3.96 3.54 -2.66 1.72 5.02 -0.33 -4.86 118.16 116.63 1npq n LYS 87 Ca -0.06 -2.41 -0.07 0.00 -2.02 0.00 0.00 58.31 53.76 1npq n LYS 87 Cb 0.68 -2.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.14 1npq n LYS 87 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1npq n GLU 88 N 2.49 0.60 -0.82 1.97 2.13 -1.24 -4.99 120.64 120.78 1npq n GLU 88 Ca 0.64 -0.96 0.11 0.00 0.66 0.00 0.00 57.16 57.61 1npq n GLU 88 Cb 0.39 0.60 -0.03 0.00 0.27 0.00 0.00 31.44 32.68 1npq n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1npq n ASP 89 N -2.14 -7.41 0.00 4.31 2.03 -1.26 -5.15 116.55 106.92 1npq n ASP 89 Ca -0.00 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1npq n ASP 89 Cb 0.17 -2.49 0.00 0.00 -0.72 0.00 0.00 41.12 38.08 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28