#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 -0.43 0.14 0.00 0.15 -1.26 -5.06 113.70 107.25 1npq s SER 2 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1npq s SER 2 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1npq s SER 2 CO 0.00 -0.55 0.00 0.23 1.20 0.00 0.00 173.24 174.12 1npq n MET 3 N 1.03 0.00 -3.24 5.44 2.00 -1.26 -5.13 117.12 115.95 1npq n MET 3 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.53 1npq n MET 3 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.75 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 -1.98 -0.19 -2.11 2.03 -1.32 -1.26 -5.02 115.64 105.79 1npq s THR 4 Ca 0.00 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.73 1npq s THR 4 Cb 0.00 -1.00 0.65 0.00 -1.51 0.00 0.00 72.50 70.64 1npq s THR 4 CO 0.00 0.00 1.87 0.47 -2.21 0.00 0.00 174.62 174.75 1npq n ASP 5 N 4.71 0.46 0.13 8.08 8.00 -1.26 -4.00 116.55 132.68 1npq n ASP 5 Ca -0.07 -1.33 0.19 0.00 0.71 0.00 0.00 54.79 54.29 1npq n ASP 5 Cb 0.55 -0.02 0.75 0.00 -0.02 0.00 0.00 41.12 42.38 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1npq h GLN 6 N 0.66 0.00 -0.00 -1.24 -0.00 -2.02 0.78 115.11 113.29 1npq h GLN 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1npq h GLN 6 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1npq h GLN 6 CO 0.00 0.00 -0.00 1.04 -0.00 0.00 0.00 178.83 179.87 1npq n GLN 7 N -3.56 0.08 -0.10 0.06 6.02 -1.26 -3.39 117.38 115.23 1npq n GLN 7 Ca 0.06 -0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1npq n GLN 7 Cb 0.58 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.24 1npq n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1npq n ALA 8 N -1.46 0.77 -0.28 -1.58 0.00 0.27 -4.17 120.51 114.07 1npq n ALA 8 Ca 0.08 -0.51 0.03 0.00 0.00 0.00 0.00 53.44 53.04 1npq n ALA 8 Cb 0.32 -0.48 0.16 0.00 0.00 0.00 0.00 19.45 19.46 1npq n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1npq h GLU 9 N -1.00 0.70 -0.66 0.00 5.08 -1.64 -2.48 114.58 114.59 1npq h GLU 9 Ca -0.34 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1npq h GLU 9 Cb 1.25 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 30.23 1npq h GLU 9 CO -0.20 0.47 -0.48 0.00 -1.00 0.00 0.00 179.01 177.80 1npq h ALA 10 N 1.45 -0.40 -0.35 3.43 0.00 -1.74 1.31 119.26 122.97 1npq h ALA 10 Ca 0.39 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.50 1npq h ALA 10 Cb 0.38 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1npq h ALA 10 CO -0.26 -0.87 0.38 -0.09 0.00 0.00 0.00 179.25 178.41 1npq h ARG 11 N -0.20 0.00 0.00 0.00 2.43 -1.61 0.31 114.38 115.32 1npq h ARG 11 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1npq h ARG 11 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1npq h ARG 11 CO -0.74 0.00 -1.48 0.00 -1.51 0.00 0.00 179.97 176.24 1npq n ALA 12 N -2.33 2.71 0.42 2.80 0.00 0.30 -4.05 120.51 120.35 1npq n ALA 12 Ca 0.06 -0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.22 1npq n ALA 12 Cb 0.54 -0.93 0.42 0.00 0.00 0.00 0.00 19.45 19.49 1npq n ALA 12 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1npq n PHE 13 N -2.44 0.51 -4.45 0.00 3.72 0.37 -4.76 117.46 110.42 1npq n PHE 13 Ca -0.02 0.20 -0.22 0.00 -0.05 0.00 0.00 57.45 57.37 1npq n PHE 13 Cb 0.55 -0.83 -0.11 0.00 -0.94 0.00 0.00 39.48 38.16 1npq n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1npq s LEU 14 N -3.94 2.36 0.55 4.37 1.43 -1.16 -5.07 118.68 117.22 1npq s LEU 14 Ca 0.05 -1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 51.78 1npq s LEU 14 Cb 0.09 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 1npq s LEU 14 CO 0.33 -0.48 0.89 -0.44 0.23 0.00 0.00 176.35 176.88 1npq s SER 15 N -3.47 6.16 0.57 2.29 0.01 -1.26 -4.91 113.70 113.08 1npq s SER 15 Ca 0.33 1.08 0.31 0.00 1.31 0.00 0.00 55.95 58.98 1npq s SER 15 Cb 0.07 -2.26 1.45 0.00 0.21 0.00 0.00 66.02 65.49 1npq s SER 15 CO 0.14 -0.75 1.82 -0.33 0.41 0.00 0.00 173.24 174.53 1npq h GLU 16 N -0.03 0.00 0.34 12.44 3.07 -1.98 0.87 114.58 129.28 1npq h GLU 16 Ca -0.46 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 1npq h GLU 16 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1npq h GLU 16 CO 0.62 0.00 -0.16 0.93 -1.40 0.00 0.00 179.01 178.99 1npq h GLU 17 N 0.00 -0.44 0.00 2.33 3.07 -1.99 0.13 114.58 117.67 1npq h GLU 17 Ca 0.38 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 1npq h GLU 17 Cb 1.75 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.76 1npq h GLU 17 CO -0.00 -0.23 -0.05 1.98 -1.40 0.00 0.00 179.01 179.31 1npq h MET 18 N -0.56 0.00 0.05 2.33 4.05 -1.21 -2.55 114.93 117.05 1npq h MET 18 Ca -0.05 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1npq h MET 18 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1npq h MET 18 CO 0.08 0.05 -0.02 0.82 0.23 0.00 0.00 176.91 178.06 1npq h ILE 19 N 0.00 0.00 -0.80 1.77 2.04 -0.94 -0.69 117.51 118.90 1npq h ILE 19 Ca -0.00 -0.54 0.23 0.00 1.00 0.00 0.00 64.86 65.55 1npq h ILE 19 Cb 0.26 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1npq h ILE 19 CO 0.01 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.87 1npq h ALA 20 N -1.43 2.64 0.04 1.87 0.00 -0.98 0.62 119.26 122.03 1npq h ALA 20 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1npq h ALA 20 Cb 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1npq h ALA 20 CO 0.01 -1.13 -1.65 0.93 0.00 0.00 0.00 179.25 177.42 1npq h GLU 21 N 0.00 0.08 -0.47 0.00 4.39 -1.55 -3.30 114.58 113.73 1npq h GLU 21 Ca 0.38 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1npq h GLU 21 Cb 1.81 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.49 1npq h GLU 21 CO -0.00 0.76 0.28 0.74 -1.16 0.00 0.00 179.01 179.62 1npq h PHE 22 N 0.02 0.60 0.00 4.33 0.04 0.18 0.37 116.94 122.48 1npq h PHE 22 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1npq h PHE 22 Cb 1.99 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.94 1npq h PHE 22 CO 0.02 0.41 0.00 1.17 -0.60 0.00 0.00 178.31 179.31 1npq n LYS 23 N -4.44 0.08 0.00 1.51 0.00 -0.65 -4.23 118.16 110.43 1npq n LYS 23 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1npq n LYS 23 Cb 0.08 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 -1.59 -0.03 0.71 3.14 0.00 0.12 -1.06 120.51 121.80 1npq n ALA 24 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1npq n ALA 24 Cb 0.35 0.33 0.39 0.00 0.00 0.00 0.00 19.45 20.52 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 -1.89 1.85 -0.53 0.00 0.00 -1.26 -3.67 120.51 115.01 1npq n ALA 25 Ca 0.00 -0.07 0.45 0.00 0.00 0.00 0.00 53.44 53.82 1npq n ALA 25 Cb 0.00 -1.26 0.78 0.00 0.00 0.00 0.00 19.45 18.97 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 0.04 0.00 0.00 3.57 -1.27 0.86 116.94 120.14 1npq h PHE 26 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1npq h PHE 26 Cb 0.18 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1npq h PHE 26 CO 0.00 -0.01 -0.12 -0.44 -2.23 0.00 0.00 178.31 175.51 1npq h ASP 27 N 0.01 0.00 -0.19 0.41 5.19 -1.71 -3.31 116.42 116.81 1npq h ASP 27 Ca 0.78 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 57.24 1npq h ASP 27 Cb 3.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 42.57 1npq h ASP 27 CO -0.03 0.52 0.16 0.24 -3.12 0.00 0.00 179.24 177.00 1npq h MET 28 N -0.91 0.00 0.00 3.56 2.86 -1.53 -3.16 114.93 115.75 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 -4.23 0.00 -1.67 -0.22 3.72 0.29 -4.58 117.46 110.77 1npq n PHE 29 Ca 0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.93 1npq n PHE 29 Cb 0.29 -0.27 -0.05 0.00 -0.94 0.00 0.00 39.48 38.52 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 -1.37 3.37 -0.11 4.37 8.00 -1.19 -4.87 116.55 124.74 1npq n ASP 30 Ca 0.00 0.91 -0.22 0.00 0.71 0.00 0.00 54.79 56.19 1npq n ASP 30 Cb 0.00 -1.37 -0.11 0.00 -0.02 0.00 0.00 41.12 39.62 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 7.05 0.81 0.10 2.24 0.00 -1.26 -4.38 120.51 125.07 1npq n ALA 31 Ca 0.24 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 53.17 1npq n ALA 31 Cb 0.30 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.99 0.00 -0.18 0.00 2.03 -1.96 -3.48 116.42 111.83 1npq h ASP 32 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1npq h ASP 32 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1npq h ASP 32 CO -0.23 0.53 0.00 0.61 -1.03 0.00 0.00 179.24 179.13 1npq n GLY 33 N 1.28 0.69 0.00 7.15 0.00 -1.26 -4.91 105.19 108.14 1npq n GLY 33 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.88 0.00 0.52 -0.02 0.00 -1.26 -5.02 105.19 98.54 1npq n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.67 3.26 -0.02 0.00 -1.26 -5.15 105.19 102.68 1npq n GLY 35 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.01 -5.66 -4.55 1.61 8.00 -1.26 -4.61 116.55 110.08 1npq n ASP 36 Ca -0.00 0.73 -0.40 0.00 0.71 0.00 0.00 54.79 55.83 1npq n ASP 36 Cb 0.64 -2.14 -0.10 0.00 -0.02 0.00 0.00 41.12 39.50 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 -1.21 5.23 0.00 0.53 1.01 -0.98 -4.79 121.20 120.98 1npq s ILE 37 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 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 -0.01 0.00 -0.24 0.00 0.00 0.00 174.94 174.69 1npq n SER 38 N 5.24 0.00 -0.14 3.58 2.88 -1.26 -1.36 113.62 122.56 1npq n SER 38 Ca -0.11 -0.34 -0.09 0.00 -1.33 0.00 0.00 58.87 57.00 1npq n SER 38 Cb 0.50 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.04 1.27 -0.09 2.46 1.35 -1.93 -3.09 112.91 112.83 1npq h THR 39 Ca 0.00 -1.27 -0.22 0.00 -0.55 0.00 0.00 66.41 64.37 1npq h THR 39 Cb 0.00 1.05 0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1npq h THR 39 CO 0.00 0.44 -0.82 0.07 -0.25 0.00 0.00 175.52 174.96 1npq h LYS 40 N 0.81 0.62 -0.03 4.72 2.10 -1.97 -3.10 116.57 119.72 1npq h LYS 40 Ca 0.12 -0.55 0.01 0.00 -2.00 0.00 0.00 60.65 58.23 1npq h LYS 40 Cb 0.68 0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1npq h LYS 40 CO 0.05 1.17 0.06 0.93 -2.00 0.00 0.00 179.45 179.65 1npq h GLU 41 N 0.41 0.00 0.00 0.07 5.08 -1.88 -2.73 114.58 115.52 1npq h GLU 41 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1npq h GLU 41 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1npq h GLU 41 CO 0.16 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.07 1npq h LEU 42 N 0.00 0.00 -1.93 1.33 -0.00 -1.47 -3.34 115.31 109.91 1npq h LEU 42 Ca 0.01 0.00 0.34 0.00 -0.00 0.00 0.00 57.88 58.24 1npq h LEU 42 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 1npq h LEU 42 CO -0.00 0.47 0.90 1.23 -0.00 0.00 0.00 178.44 181.05 1npq h GLY 43 N -0.92 0.00 0.00 0.83 0.00 -1.53 0.42 103.07 101.87 1npq h GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1npq h GLY 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1npq n THR 44 N -4.04 0.00 0.27 4.70 -1.04 -1.04 0.19 114.28 113.31 1npq n THR 44 Ca 0.26 1.09 0.11 0.00 -2.04 0.00 0.00 64.05 63.47 1npq n THR 44 Cb 1.29 -2.05 0.73 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.76 0.00 12.58 3.04 -1.63 -0.92 116.25 130.08 1npq h VAL 45 Ca 0.00 -0.25 -0.19 0.00 -1.01 0.00 0.00 66.70 65.25 1npq h VAL 45 Cb 0.00 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1npq h VAL 45 CO 0.00 0.06 -0.86 0.24 -1.01 0.00 0.00 177.57 176.01 1npq h MET 46 N 0.00 0.17 0.00 4.17 2.07 -0.93 -2.83 114.93 117.58 1npq h MET 46 Ca -0.00 -0.18 -0.22 0.00 -2.07 0.00 0.00 59.70 57.23 1npq h MET 46 Cb 0.14 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1npq h MET 46 CO 0.01 0.93 -1.27 0.00 1.07 0.00 0.00 176.91 177.64 1npq h ARG 47 N 0.10 0.00 -0.44 1.72 3.08 0.37 0.20 114.38 119.40 1npq h ARG 47 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1npq h ARG 47 Cb 1.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.53 1npq h ARG 47 CO 0.13 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.63 1npq n MET 48 N -3.13 2.04 0.00 0.04 0.00 -0.41 -4.15 117.12 111.51 1npq n MET 48 Ca -0.08 -1.58 0.00 0.00 0.00 0.00 0.00 57.70 56.04 1npq n MET 48 Cb 0.93 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.80 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 0.77 2.82 0.00 3.17 4.77 -1.07 -5.02 117.00 122.44 1npq n LEU 49 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1npq n LEU 49 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1npq n LEU 49 CO 0.10 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1npq n GLY 50 N 3.46 1.24 3.75 -0.72 0.00 -1.13 -5.10 105.19 106.70 1npq n GLY 50 Ca 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 2.20 -0.34 1.61 2.00 0.68 -4.94 119.66 120.87 1npq s GLN 51 Ca 0.00 1.32 0.16 0.00 -2.00 0.00 0.00 55.36 54.83 1npq s GLN 51 Cb 0.00 -1.88 0.44 0.00 0.80 0.00 0.00 33.01 32.37 1npq s GLN 51 CO 0.00 -1.71 1.02 -1.71 -0.50 0.00 0.00 175.29 172.40 1npq n ASN 52 N -3.31 0.70 -4.62 6.67 2.85 -1.26 -3.38 115.26 112.90 1npq n ASN 52 Ca 0.10 -2.69 -0.43 0.00 -0.11 0.00 0.00 54.58 51.46 1npq n ASN 52 Cb 0.52 -0.19 -0.02 0.00 1.24 0.00 0.00 39.78 41.33 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1npq s PRO 53 N -2.39 3.74 0.00 1.20 0.04 -1.26 -5.01 135.00 131.34 1npq s PRO 53 Ca 0.27 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 1npq s PRO 53 Cb 0.44 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1npq s PRO 53 CO 0.01 -1.35 0.00 2.41 0.04 0.00 0.00 177.00 178.11 1npq n THR 54 N 6.57 0.00 0.18 1.26 -1.04 -1.26 -4.52 114.28 115.47 1npq n THR 54 Ca 0.18 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.05 1npq n THR 54 Cb 0.46 -0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.89 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1npq h LYS 55 N 0.00 -0.44 -0.59 -2.82 1.63 -1.98 -2.68 116.57 109.69 1npq h LYS 55 Ca -0.00 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.91 1npq h LYS 55 Cb 0.00 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 1npq h LYS 55 CO 0.00 -0.14 0.39 0.00 -3.45 0.00 0.00 179.45 176.26 1npq h GLU 57 N 0.49 -1.26 -0.07 0.00 5.08 -1.84 0.20 114.58 117.18 1npq h GLU 57 Ca 0.26 0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 1npq h GLU 57 Cb 0.40 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1npq h GLU 57 CO -0.08 -0.84 -0.33 -0.07 -1.00 0.00 0.00 179.01 176.69 1npq h LEU 58 N -1.33 0.13 -1.12 1.33 3.38 -1.18 -2.35 115.31 114.17 1npq h LEU 58 Ca -0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1npq h LEU 58 Cb 1.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1npq h LEU 58 CO 0.22 0.46 -0.27 -0.78 0.09 0.00 0.00 178.44 178.15 1npq h ASP 59 N 0.11 0.00 0.54 -0.43 1.82 -0.30 -1.47 116.42 116.70 1npq h ASP 59 Ca 0.01 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.43 1npq h ASP 59 Cb 0.64 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 1npq h ASP 59 CO 0.05 0.27 -0.97 0.00 -1.61 0.00 0.00 179.24 176.98 1npq h ALA 60 N 1.73 0.38 0.16 -0.78 0.00 -0.07 -2.96 119.26 117.72 1npq h ALA 60 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1npq h ALA 60 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1npq h ALA 60 CO 0.04 0.91 -0.08 0.82 0.00 0.00 0.00 179.25 180.94 1npq h ILE 61 N 0.13 0.00 -0.81 0.00 5.03 -1.32 -3.19 117.51 117.36 1npq h ILE 61 Ca -0.07 -0.78 0.17 0.00 -0.12 0.00 0.00 64.86 64.05 1npq h ILE 61 Cb 1.63 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 35.27 1npq h ILE 61 CO 0.16 0.00 -0.18 0.40 -0.68 0.00 0.00 178.15 177.85 1npq h ILE 62 N -1.00 0.20 -0.86 -0.67 2.04 -1.42 1.13 117.51 116.94 1npq h ILE 62 Ca -0.02 -0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1npq h ILE 62 Cb 0.17 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1npq h ILE 62 CO 0.04 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.75 1npq h GLU 64 N 0.57 0.20 0.63 0.00 4.57 0.86 -3.35 114.58 118.06 1npq h GLU 64 Ca 0.43 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1npq h GLU 64 Cb 0.82 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1npq h GLU 64 CO -0.18 1.11 -0.30 0.28 -1.18 0.00 0.00 179.01 178.74 1npq h VAL 65 N 0.05 0.19 -2.39 0.32 2.07 0.33 -3.42 116.25 113.40 1npq h VAL 65 Ca -0.15 -0.32 -0.56 0.00 0.82 0.00 0.00 66.70 66.49 1npq h VAL 65 Cb 1.95 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1npq h VAL 65 CO 0.17 0.03 1.28 -1.81 0.02 0.00 0.00 177.57 177.26 1npq s ASP 66 N -4.57 6.09 0.15 0.57 1.11 0.23 -4.83 116.67 115.42 1npq s ASP 66 Ca -0.15 2.03 0.19 0.00 0.18 0.00 0.00 52.55 54.80 1npq s ASP 66 Cb 0.02 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.43 1npq s ASP 66 CO 0.48 -1.43 0.98 -0.33 1.18 0.00 0.00 175.17 176.05 1npq h GLU 67 N 12.13 0.00 -0.52 8.23 4.39 -1.86 -3.33 114.58 133.62 1npq h GLU 67 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1npq h GLU 67 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1npq h GLU 67 CO 0.97 0.17 0.00 -0.40 -1.16 0.00 0.00 179.01 178.59 1npq n ASP 68 N -2.82 5.20 -3.71 1.42 5.75 -1.26 -4.96 116.55 116.17 1npq n ASP 68 Ca -0.04 -2.86 -0.28 0.00 -0.01 0.00 0.00 54.79 51.59 1npq n ASP 68 Cb 0.70 -0.64 0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1npq n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1npq n GLY 69 N 0.48 -0.77 0.00 6.12 0.00 -1.25 -4.90 105.19 104.87 1npq n GLY 69 Ca 0.26 0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.81 2.62 0.00 1.61 3.41 -1.26 -4.99 113.62 112.20 1npq n SER 70 Ca -0.16 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1npq n SER 70 Cb 0.62 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.95 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 1.89 0.29 3.32 5.00 0.00 -1.26 -4.98 105.19 109.45 1npq n GLY 71 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.64 1.98 -0.28 2.61 -4.23 -1.26 -4.41 115.64 108.42 1npq s THR 72 Ca 0.00 -1.45 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 1npq s THR 72 Cb 0.00 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 1npq s THR 72 CO 0.00 0.20 0.13 -0.63 -0.54 0.00 0.00 174.62 173.78 1npq s ILE 73 N -0.91 4.69 0.00 2.99 1.01 -0.47 -4.71 121.20 123.80 1npq s ILE 73 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1npq s ILE 73 Cb -0.10 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1npq s ILE 73 CO 0.03 0.24 0.00 0.47 0.00 0.00 0.00 174.94 175.68 1npq n ASP 74 N 4.98 -0.78 0.00 3.58 8.00 -1.26 -2.33 116.55 128.74 1npq n ASP 74 Ca -0.15 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1npq n ASP 74 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1npq n ASP 74 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1npq n PHE 75 N -2.19 0.00 0.29 1.24 3.01 -1.26 -3.30 117.46 115.25 1npq n PHE 75 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1npq n PHE 75 Cb 0.00 -0.02 0.89 0.00 -0.01 0.00 0.00 39.48 40.34 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 -0.33 -1.08 5.08 -1.95 -2.08 114.58 114.23 1npq h GLU 76 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1npq h GLU 76 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1npq h GLU 76 CO 0.00 0.04 0.39 0.93 -1.00 0.00 0.00 179.01 179.37 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.84 0.30 114.58 120.45 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 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 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 0.06 4.33 3.57 -1.36 0.11 116.94 123.65 1npq h PHE 78 Ca 0.15 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.28 1npq h PHE 78 Cb 0.93 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1npq h PHE 78 CO 0.00 0.00 -2.22 1.28 -2.23 0.00 0.00 178.31 175.14 1npq n LEU 79 N -2.45 2.55 -0.08 0.59 4.32 0.11 -4.31 117.00 117.73 1npq n LEU 79 Ca -0.01 0.05 -0.07 0.00 -0.02 0.00 0.00 56.01 55.96 1npq n LEU 79 Cb 0.10 -0.87 0.09 0.00 -1.62 0.00 0.00 43.42 41.13 1npq n LEU 79 CO 0.15 0.85 0.70 0.58 -1.22 0.00 0.00 177.39 178.45 1npq h VAL 80 N 0.03 1.27 -1.06 4.08 2.07 -1.33 -1.46 116.25 119.85 1npq h VAL 80 Ca -0.49 -1.33 0.32 0.00 0.82 0.00 0.00 66.70 66.01 1npq h VAL 80 Cb 1.99 1.22 -0.13 0.00 -1.52 0.00 0.00 31.29 32.84 1npq h VAL 80 CO 0.00 0.44 0.64 0.00 0.02 0.00 0.00 177.57 178.68 1npq h MET 81 N 0.66 0.32 0.00 1.57 -0.00 -0.99 0.43 114.93 116.92 1npq h MET 81 Ca 0.09 -0.02 -0.25 0.00 -0.00 0.00 0.00 59.70 59.52 1npq h MET 81 Cb 0.73 -0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 32.22 1npq h MET 81 CO 0.06 0.21 -1.77 -1.33 -0.00 0.00 0.00 176.91 174.08 1npq n MET 82 N -4.89 0.64 -0.18 -0.10 2.81 -1.10 -4.09 117.12 110.20 1npq n MET 82 Ca 0.31 0.18 -0.09 0.00 -1.81 0.00 0.00 57.70 56.28 1npq n MET 82 Cb 1.02 -1.73 0.01 0.00 -0.71 0.00 0.00 33.22 31.81 1npq n MET 82 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1npq h VAL 83 N 0.00 1.26 0.00 2.03 2.07 0.74 0.20 116.25 122.55 1npq h VAL 83 Ca -0.28 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1npq h VAL 83 Cb 1.86 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1npq h VAL 83 CO 0.05 0.36 -0.09 0.03 0.02 0.00 0.00 177.57 177.94 1npq h ARG 84 N 0.75 0.00 -0.32 1.57 3.08 -0.57 -1.87 114.38 117.01 1npq h ARG 84 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1npq h ARG 84 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1npq h ARG 84 CO 0.02 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 179.01 1npq n GLN 85 N -4.02 2.90 -0.11 0.04 -0.00 -0.99 -4.54 117.38 110.66 1npq n GLN 85 Ca -0.02 -2.25 -0.21 0.00 -0.00 0.00 0.00 57.00 54.51 1npq n GLN 85 Cb 0.18 -1.42 -0.09 0.00 -0.00 0.00 0.00 30.24 28.91 1npq n GLN 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1npq n MET 86 N 0.24 0.49 -0.00 2.61 2.81 0.68 -4.41 117.12 119.54 1npq n MET 86 Ca 0.14 0.18 0.10 0.00 -1.81 0.00 0.00 57.70 56.31 1npq n MET 86 Cb 0.55 -1.33 0.52 0.00 -0.71 0.00 0.00 33.22 32.24 1npq n MET 86 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1npq h LYS 87 N -0.56 0.35 -0.22 0.03 1.57 -1.72 -0.64 116.57 115.39 1npq h LYS 87 Ca -0.54 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.18 1npq h LYS 87 Cb 1.57 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1npq h LYS 87 CO -0.26 0.23 -0.02 0.93 -0.57 0.00 0.00 179.45 179.75 1npq h GLU 88 N 0.36 0.33 -0.13 3.15 5.08 -1.80 -2.03 114.58 119.53 1npq h GLU 88 Ca 0.20 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1npq h GLU 88 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1npq h GLU 88 CO -0.05 0.38 0.09 -0.44 -1.00 0.00 0.00 179.01 177.99 1npq h ASP 89 N 0.32 0.10 0.00 1.42 3.32 -1.32 -3.53 116.42 116.74 1npq h ASP 89 Ca 0.07 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1npq h ASP 89 Cb 0.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1npq h ASP 89 CO 0.01 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.60