#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 2.05 0.00 0.00 0.01 -1.26 -5.01 113.70 109.49 1npq s SER 2 Ca 0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1npq s SER 2 Cb 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1npq s SER 2 CO 0.00 0.17 0.00 0.23 0.41 0.00 0.00 173.24 174.05 1npq n MET 3 N 2.33 0.00 -3.48 12.44 2.00 -1.26 -5.10 117.12 124.06 1npq n MET 3 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.55 1npq n MET 3 Cb 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 33.22 33.57 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 -1.72 -0.91 -0.37 2.03 -1.32 -1.26 -5.02 115.64 107.06 1npq s THR 4 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1npq s THR 4 Cb 0.00 -1.00 0.62 0.00 -1.51 0.00 0.00 72.50 70.61 1npq s THR 4 CO 0.00 0.00 1.66 0.47 -2.21 0.00 0.00 174.62 174.54 1npq n ASP 5 N 5.38 4.27 0.13 8.08 9.92 -1.26 -4.34 116.55 138.72 1npq n ASP 5 Ca -0.09 -3.07 -0.02 0.00 -0.53 0.00 0.00 54.79 51.08 1npq n ASP 5 Cb 0.50 -0.72 0.18 0.00 -0.64 0.00 0.00 41.12 40.44 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 2.03 0.07 0.00 -1.24 3.07 -2.00 -2.87 115.11 114.17 1npq h GLN 6 Ca 0.28 -0.05 -0.08 0.00 0.09 0.00 0.00 58.65 58.89 1npq h GLN 6 Cb 2.17 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 29.73 1npq h GLN 6 CO 0.68 0.63 -0.37 1.96 0.09 0.00 0.00 178.83 181.81 1npq h GLN 7 N 0.06 0.00 0.03 0.06 4.20 -1.86 -2.36 115.11 115.23 1npq h GLN 7 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1npq h GLN 7 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1npq h GLN 7 CO 0.08 0.37 -0.01 0.00 -0.67 0.00 0.00 178.83 178.60 1npq h ALA 8 N 1.63 -0.04 -0.06 3.87 0.00 -1.83 -3.24 119.26 119.59 1npq h ALA 8 Ca -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1npq h ALA 8 Cb 0.70 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1npq h ALA 8 CO 0.05 -0.15 0.04 0.93 0.00 0.00 0.00 179.25 180.12 1npq h GLU 9 N -0.77 0.00 -0.13 0.00 5.08 -1.50 -2.51 114.58 114.75 1npq h GLU 9 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1npq h GLU 9 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1npq h GLU 9 CO 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.92 1npq h ALA 10 N 1.96 0.01 -0.12 3.43 0.00 -1.45 0.85 119.26 123.96 1npq h ALA 10 Ca 0.03 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1npq h ALA 10 Cb 0.11 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1npq h ALA 10 CO -0.00 -0.54 0.08 0.00 0.00 0.00 0.00 179.25 178.79 1npq h ARG 11 N -0.10 0.04 0.00 0.00 3.08 -1.52 -1.41 114.38 114.46 1npq h ARG 11 Ca 0.08 -0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.88 1npq h ARG 11 Cb 0.22 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1npq h ARG 11 CO -0.20 0.02 -1.37 0.00 -1.07 0.00 0.00 179.97 177.35 1npq h ALA 12 N 1.94 0.59 -0.04 0.04 0.00 -1.21 -3.32 119.26 117.26 1npq h ALA 12 Ca 0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 54.91 53.66 1npq h ALA 12 Cb 0.17 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1npq h ALA 12 CO -0.00 1.42 -0.45 0.74 0.00 0.00 0.00 179.25 180.95 1npq h PHE 13 N 0.00 0.10 -2.98 0.00 0.04 0.17 -3.44 116.94 110.83 1npq h PHE 13 Ca -0.16 -0.03 -0.58 0.00 2.80 0.00 0.00 57.97 60.00 1npq h PHE 13 Cb 1.89 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.98 1npq h PHE 13 CO 0.00 0.52 -0.39 -0.51 -0.60 0.00 0.00 178.31 177.33 1npq s LEU 14 N -8.07 4.29 0.78 1.54 1.43 -0.69 -5.08 118.68 112.89 1npq s LEU 14 Ca -0.03 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 1npq s LEU 14 Cb 0.14 -3.14 0.06 0.00 0.03 0.00 0.00 46.19 43.27 1npq s LEU 14 CO 0.75 0.07 1.09 -0.55 0.23 0.00 0.00 176.35 177.95 1npq s SER 15 N -2.64 4.65 0.52 2.29 0.15 -1.26 -4.89 113.70 112.52 1npq s SER 15 Ca 0.38 1.31 0.19 0.00 0.70 0.00 0.00 55.95 58.53 1npq s SER 15 Cb -0.12 -2.05 1.30 0.00 -1.71 0.00 0.00 66.02 63.44 1npq s SER 15 CO 0.27 -1.87 2.09 -0.33 1.20 0.00 0.00 173.24 174.61 1npq h GLU 16 N -1.02 0.01 -0.85 5.44 5.08 -1.97 -1.09 114.58 120.18 1npq h GLU 16 Ca -0.47 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1npq h GLU 16 Cb 1.26 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1npq h GLU 16 CO 0.60 0.01 0.55 0.93 -1.00 0.00 0.00 179.01 180.10 1npq h GLU 17 N 0.01 1.12 -0.17 2.33 3.07 -2.00 -1.67 114.58 117.27 1npq h GLU 17 Ca 0.09 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 1npq h GLU 17 Cb 0.35 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1npq h GLU 17 CO -0.00 0.75 -0.23 1.98 -1.40 0.00 0.00 179.01 180.10 1npq h MET 18 N 1.15 0.45 -0.44 2.33 4.05 -1.56 -3.09 114.93 117.81 1npq h MET 18 Ca 0.31 -0.26 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1npq h MET 18 Cb -0.12 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.66 1npq h MET 18 CO -0.07 0.85 0.18 0.82 0.23 0.00 0.00 176.91 178.92 1npq h ILE 19 N 0.09 0.89 0.28 1.77 2.04 -1.26 0.40 117.51 121.71 1npq h ILE 19 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1npq h ILE 19 Cb 0.80 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1npq h ILE 19 CO 0.05 0.07 -0.51 0.00 0.00 0.00 0.00 178.15 177.76 1npq h ALA 20 N 1.28 -1.06 0.00 1.87 0.00 -1.34 -1.04 119.26 118.97 1npq h ALA 20 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1npq h ALA 20 Cb 0.17 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1npq h ALA 20 CO -0.19 -1.15 -0.12 0.93 0.00 0.00 0.00 179.25 178.73 1npq h GLU 21 N -0.85 0.00 -0.71 0.00 5.08 -1.44 -2.27 114.58 114.39 1npq h GLU 21 Ca -0.03 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1npq h GLU 21 Cb 0.79 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1npq h GLU 21 CO -0.19 0.12 0.47 0.35 -1.00 0.00 0.00 179.01 178.76 1npq h PHE 22 N 0.00 0.59 -0.02 4.33 3.57 0.11 0.36 116.94 125.88 1npq h PHE 22 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1npq h PHE 22 Cb 0.28 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1npq h PHE 22 CO 0.00 0.27 0.00 1.17 -2.23 0.00 0.00 178.31 177.52 1npq n LYS 23 N -4.49 1.16 0.00 1.11 3.00 -0.85 -3.96 118.16 114.13 1npq n LYS 23 Ca 0.12 -0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1npq n LYS 23 Cb 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 -0.61 -0.09 1.70 3.14 0.00 0.13 -3.41 120.51 121.37 1npq n ALA 24 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.77 1npq n ALA 24 Cb 0.14 0.03 0.83 0.00 0.00 0.00 0.00 19.45 20.45 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 -0.85 2.54 -0.02 0.00 0.00 -1.26 -3.79 120.51 117.13 1npq n ALA 25 Ca 0.00 -0.17 0.23 0.00 0.00 0.00 0.00 53.44 53.50 1npq n ALA 25 Cb 0.00 -1.48 0.72 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.68 0.79 116.94 119.09 1npq h PHE 26 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1npq h PHE 26 Cb 0.08 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1npq h PHE 26 CO 0.00 0.00 -0.27 -0.44 -2.02 0.00 0.00 178.31 175.58 1npq h ASP 27 N 0.00 0.00 0.26 0.41 3.32 -1.74 -3.34 116.42 115.32 1npq h ASP 27 Ca 0.29 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1npq h ASP 27 Cb 1.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 1npq h ASP 27 CO -0.00 0.88 -0.12 0.24 -1.72 0.00 0.00 179.24 178.52 1npq h MET 28 N -1.00 0.00 0.00 3.56 2.86 -1.62 -3.23 114.93 115.50 1npq h MET 28 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1npq h MET 28 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1npq h MET 28 CO -0.03 0.12 0.00 1.19 1.06 0.00 0.00 176.91 179.24 1npq n PHE 29 N -3.85 0.00 -1.65 -0.22 3.72 0.27 -4.51 117.46 111.22 1npq n PHE 29 Ca -0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 1npq n PHE 29 Cb 0.21 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.23 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 -2.18 3.72 -0.08 4.37 8.00 -1.22 -4.84 116.55 124.32 1npq n ASP 30 Ca 0.00 0.79 -0.13 0.00 0.71 0.00 0.00 54.79 56.16 1npq n ASP 30 Cb 0.00 -1.47 -0.08 0.00 -0.02 0.00 0.00 41.12 39.54 1npq n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1npq h ALA 31 N 10.97 0.10 0.00 2.24 0.00 -1.86 -3.38 119.26 127.33 1npq h ALA 31 Ca -0.47 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 53.58 1npq h ALA 31 Cb 1.25 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1npq h ALA 31 CO 0.95 0.35 -0.83 0.38 0.00 0.00 0.00 179.25 180.09 1npq h ASP 32 N -1.00 0.05 -1.62 0.00 2.03 -1.94 -3.48 116.42 110.46 1npq h ASP 32 Ca -0.13 -0.04 -0.10 0.00 -0.73 0.00 0.00 57.03 56.03 1npq h ASP 32 Cb 0.87 -0.02 0.02 0.00 -0.83 0.00 0.00 39.33 39.37 1npq h ASP 32 CO -0.08 0.86 -0.15 0.61 -1.03 0.00 0.00 179.24 179.45 1npq n GLY 33 N 0.83 0.44 1.02 7.15 0.00 -1.26 -4.91 105.19 108.46 1npq n GLY 33 Ca -0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.91 0.17 0.00 -0.02 0.00 -1.26 -5.10 105.19 98.07 1npq n GLY 34 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.15 1.37 2.31 -0.02 0.00 -1.26 -5.19 105.19 102.23 1npq n GLY 35 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.13 -4.74 1.61 8.00 -1.26 -4.94 116.55 114.09 1npq n ASP 36 Ca 0.00 -1.65 -0.37 0.00 0.71 0.00 0.00 54.79 53.48 1npq n ASP 36 Cb 0.00 1.85 -0.07 0.00 -0.02 0.00 0.00 41.12 42.88 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 -2.31 5.29 0.00 0.53 1.01 -1.06 -4.83 121.20 119.83 1npq s ILE 37 Ca 0.13 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1npq s ILE 37 Cb -0.02 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1npq s ILE 37 CO 0.04 0.40 0.00 -0.24 0.00 0.00 0.00 174.94 175.14 1npq n SER 38 N 3.46 1.50 0.18 3.58 2.88 -1.26 -0.91 113.62 123.05 1npq n SER 38 Ca -0.12 -0.62 0.03 0.00 -1.33 0.00 0.00 58.87 56.83 1npq n SER 38 Cb 0.52 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.46 1.23 0.01 2.46 1.35 -1.95 -2.71 112.91 113.76 1npq h THR 39 Ca 0.00 -1.37 -0.07 0.00 -0.55 0.00 0.00 66.41 64.42 1npq h THR 39 Cb 0.00 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1npq h THR 39 CO 0.00 0.39 -0.28 0.11 -0.25 0.00 0.00 175.52 175.48 1npq h LYS 40 N 0.00 0.18 -0.16 4.72 1.57 -1.98 -3.09 116.57 117.81 1npq h LYS 40 Ca -0.00 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1npq h LYS 40 Cb 0.72 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1npq h LYS 40 CO 0.05 0.96 0.12 0.93 -0.57 0.00 0.00 179.45 180.94 1npq h GLU 41 N -0.51 0.00 0.47 3.15 5.08 -1.87 -2.38 114.58 118.51 1npq h GLU 41 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1npq h GLU 41 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1npq h GLU 41 CO 0.06 0.00 -0.23 1.25 -1.00 0.00 0.00 179.01 179.09 1npq h LEU 42 N 0.00 -0.53 -2.03 1.33 7.12 -1.52 -3.19 115.31 116.49 1npq h LEU 42 Ca 0.08 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.18 1npq h LEU 42 Cb 0.32 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1npq h LEU 42 CO -0.00 -0.15 0.37 1.23 -0.13 0.00 0.00 178.44 179.76 1npq h GLY 43 N -1.10 0.00 0.00 3.75 0.00 -1.43 -1.44 103.07 102.86 1npq h GLY 43 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1npq h GLY 43 CO 0.11 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.06 1npq n THR 44 N -3.45 0.00 0.30 4.70 -1.04 -0.91 0.14 114.28 114.01 1npq n THR 44 Ca 0.03 1.15 0.16 0.00 -2.04 0.00 0.00 64.05 63.35 1npq n THR 44 Cb 0.49 -2.14 0.92 0.00 -1.82 0.00 0.00 70.33 67.78 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 0.45 0.00 12.58 3.04 -1.60 -0.53 116.25 130.19 1npq h VAL 45 Ca 0.00 -0.12 -0.17 0.00 -1.01 0.00 0.00 66.70 65.40 1npq h VAL 45 Cb 0.00 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1npq h VAL 45 CO 0.00 0.03 -0.80 0.24 -1.01 0.00 0.00 177.57 176.02 1npq h MET 46 N 0.00 0.00 0.00 4.17 2.07 -1.24 -3.21 114.93 116.72 1npq h MET 46 Ca -0.00 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.42 1npq h MET 46 Cb 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 29.77 1npq h MET 46 CO 0.00 0.80 -1.42 0.00 1.07 0.00 0.00 176.91 177.37 1npq h ARG 47 N 0.00 0.00 -1.06 1.72 3.08 0.81 -1.40 114.38 117.53 1npq h ARG 47 Ca -0.01 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 1npq h ARG 47 Cb 1.47 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.25 1npq h ARG 47 CO 0.10 0.42 0.70 0.00 -1.07 0.00 0.00 179.97 180.12 1npq n MET 48 N -3.00 2.33 0.00 0.04 0.00 -0.31 -4.33 117.12 111.85 1npq n MET 48 Ca -0.11 -2.82 0.00 0.00 0.00 0.00 0.00 57.70 54.78 1npq n MET 48 Cb 0.91 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 32.03 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 -0.79 0.00 0.00 3.17 4.77 -1.21 -4.96 117.00 117.98 1npq n LEU 49 Ca 0.55 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1npq n LEU 49 Cb 1.04 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1npq n LEU 49 CO 0.64 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1npq n GLY 50 N 0.54 0.77 3.56 -0.72 0.00 -1.21 -5.12 105.19 103.00 1npq n GLY 50 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.23 -0.38 1.61 2.00 -0.53 -4.95 119.66 117.18 1npq s GLN 51 Ca 0.00 1.08 0.12 0.00 -2.00 0.00 0.00 55.36 54.56 1npq s GLN 51 Cb 0.00 -1.62 0.40 0.00 0.80 0.00 0.00 33.01 32.59 1npq s GLN 51 CO 0.00 -3.33 1.08 -1.71 -0.50 0.00 0.00 175.29 170.82 1npq n ASN 52 N -4.67 -0.35 -4.59 6.67 5.15 -1.26 -3.88 115.26 112.33 1npq n ASN 52 Ca 0.06 -2.83 -0.42 0.00 -0.60 0.00 0.00 54.58 50.79 1npq n ASN 52 Cb 0.54 0.35 -0.02 0.00 -0.53 0.00 0.00 39.78 40.11 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 -1.39 3.37 1.16 1.20 0.04 -1.26 -5.00 135.00 133.13 1npq s PRO 53 Ca 0.27 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 1npq s PRO 53 Cb 0.40 -4.12 0.29 0.00 0.04 0.00 0.00 34.50 31.11 1npq s PRO 53 CO -0.04 -1.82 0.65 0.25 0.04 0.00 0.00 177.00 176.08 1npq n THR 54 N 7.10 0.00 0.28 1.26 -2.24 -1.26 -4.49 114.28 114.94 1npq n THR 54 Ca 0.17 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.79 1npq n THR 54 Cb 0.48 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 1npq n THR 54 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1npq h LYS 55 N 0.00 -0.73 -0.11 -0.78 1.63 -1.96 -2.22 116.57 112.40 1npq h LYS 55 Ca -0.29 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1npq h LYS 55 Cb 0.99 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1npq h LYS 55 CO 0.18 -0.48 0.08 0.00 -3.45 0.00 0.00 179.45 175.77 1npq h GLU 57 N 0.06 -0.65 -0.82 0.00 4.39 -1.72 -1.26 114.58 114.58 1npq h GLU 57 Ca 0.05 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1npq h GLU 57 Cb 0.12 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1npq h GLU 57 CO -0.01 -0.43 0.54 -0.07 -1.16 0.00 0.00 179.01 177.88 1npq h LEU 58 N -0.68 0.90 -1.91 1.33 3.38 -1.31 -1.18 115.31 115.84 1npq h LEU 58 Ca -0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1npq h LEU 58 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1npq h LEU 58 CO 0.11 0.63 0.09 -0.78 0.09 0.00 0.00 178.44 178.58 1npq h ASP 59 N 1.05 0.10 -0.30 -0.43 1.82 -1.14 -0.81 116.42 116.71 1npq h ASP 59 Ca 0.32 -0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.89 1npq h ASP 59 Cb -0.02 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1npq h ASP 59 CO -0.09 0.07 -0.09 0.00 -1.61 0.00 0.00 179.24 177.52 1npq h ALA 60 N 1.93 0.41 0.47 -0.78 0.00 0.03 -2.23 119.26 119.10 1npq h ALA 60 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1npq h ALA 60 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1npq h ALA 60 CO -0.01 0.25 -0.23 0.82 0.00 0.00 0.00 179.25 180.09 1npq h ILE 61 N 0.35 0.00 -1.09 0.00 5.03 -1.31 -3.23 117.51 117.26 1npq h ILE 61 Ca 0.07 -0.49 0.31 0.00 -0.12 0.00 0.00 64.86 64.63 1npq h ILE 61 Cb 0.58 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.26 1npq h ILE 61 CO 0.03 0.00 0.69 0.40 -0.68 0.00 0.00 178.15 178.59 1npq h ILE 62 N -1.12 0.41 -0.20 -0.67 2.04 -1.28 0.81 117.51 117.50 1npq h ILE 62 Ca -0.06 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1npq h ILE 62 Cb 0.49 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1npq h ILE 62 CO 0.11 0.06 0.14 0.00 0.00 0.00 0.00 178.15 178.46 1npq h GLU 64 N 0.17 0.08 0.76 0.00 5.08 0.56 -3.39 114.58 117.85 1npq h GLU 64 Ca 0.08 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1npq h GLU 64 Cb 0.13 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1npq h GLU 64 CO -0.01 0.77 -0.37 0.28 -1.00 0.00 0.00 179.01 178.68 1npq h VAL 65 N 0.02 0.00 -1.96 3.13 2.07 -0.36 -3.39 116.25 115.76 1npq h VAL 65 Ca -0.26 -0.15 -0.51 0.00 0.82 0.00 0.00 66.70 66.60 1npq h VAL 65 Cb 1.98 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1npq h VAL 65 CO 0.10 0.00 1.45 -1.81 0.02 0.00 0.00 177.57 177.34 1npq s ASP 66 N -4.05 5.08 0.22 0.57 1.11 -0.47 -4.81 116.67 114.32 1npq s ASP 66 Ca -0.15 0.88 0.09 0.00 0.18 0.00 0.00 52.55 53.55 1npq s ASP 66 Cb 0.01 -2.52 0.17 0.00 1.07 0.00 0.00 42.92 41.65 1npq s ASP 66 CO 0.45 -2.42 1.50 -0.33 1.18 0.00 0.00 175.17 175.55 1npq h GLU 67 N 16.30 0.01 0.02 8.23 4.39 -1.87 -3.20 114.58 138.45 1npq h GLU 67 Ca -0.28 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.18 1npq h GLU 67 Cb 1.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1npq h GLU 67 CO 1.15 0.75 -1.21 0.38 -1.16 0.00 0.00 179.01 178.91 1npq h ASP 68 N 0.00 0.07 -0.26 1.42 2.03 -1.97 -3.49 116.42 114.23 1npq h ASP 68 Ca -0.01 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1npq h ASP 68 Cb 1.32 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1npq h ASP 68 CO 0.10 1.07 0.00 0.61 -1.03 0.00 0.00 179.24 179.99 1npq n GLY 69 N 1.44 0.64 0.02 7.15 0.00 -1.21 -5.04 105.19 108.18 1npq n GLY 69 Ca -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 2.68 -0.05 1.61 3.41 -1.26 -5.01 113.62 114.87 1npq n SER 70 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1npq n SER 70 Cb 0.06 1.24 -0.00 0.00 -0.26 0.00 0.00 64.21 65.24 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 2.08 0.48 3.20 5.00 0.00 -1.26 -5.03 105.19 109.65 1npq n GLY 71 Ca -0.06 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.99 1.50 -0.27 2.61 -4.23 -1.26 -4.50 115.64 107.50 1npq s THR 72 Ca 0.00 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1npq s THR 72 Cb 0.00 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 1npq s THR 72 CO 0.00 0.38 0.21 -0.63 -0.54 0.00 0.00 174.62 174.04 1npq s ILE 73 N -0.50 5.30 0.00 2.99 1.01 -0.09 -4.75 121.20 125.17 1npq s ILE 73 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1npq s ILE 73 Cb -0.07 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1npq s ILE 73 CO -0.00 0.26 0.00 -0.67 0.00 0.00 0.00 174.94 174.53 1npq n ASP 74 N 4.88 -0.38 0.00 3.58 -0.08 -1.26 -2.58 116.55 120.71 1npq n ASP 74 Ca -0.13 -0.75 0.00 0.00 -1.51 0.00 0.00 54.79 52.40 1npq n ASP 74 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1npq n ASP 74 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1npq n PHE 75 N -2.08 0.00 0.24 -0.67 3.01 -1.26 -2.94 117.46 113.76 1npq n PHE 75 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 1npq n PHE 75 Cb 0.00 -0.21 0.62 0.00 -0.01 0.00 0.00 39.48 39.88 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 -0.14 -1.08 5.08 -1.95 -2.54 114.58 113.94 1npq h GLU 76 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 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 0.17 0.23 0.93 -1.00 0.00 0.00 179.01 179.34 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.85 0.26 114.58 120.39 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 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1npq h GLU 77 CO 0.02 0.00 0.00 0.35 -1.00 0.00 0.00 179.01 178.38 1npq h PHE 78 N 0.00 0.00 0.08 4.33 3.57 -1.33 -2.62 116.94 120.97 1npq h PHE 78 Ca 0.07 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.21 1npq h PHE 78 Cb 0.53 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1npq h PHE 78 CO 0.00 0.00 -2.01 1.28 -2.23 0.00 0.00 178.31 175.35 1npq n LEU 79 N -2.41 2.20 0.18 0.59 4.77 0.90 -4.18 117.00 119.05 1npq n LEU 79 Ca 0.02 0.20 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1npq n LEU 79 Cb 0.26 -0.76 0.33 0.00 -2.33 0.00 0.00 43.42 40.92 1npq n LEU 79 CO 0.22 0.75 0.67 1.62 -1.33 0.00 0.00 177.39 179.32 1npq h VAL 80 N 0.05 0.93 -0.66 4.08 3.04 -1.48 -2.91 116.25 119.31 1npq h VAL 80 Ca -0.42 -1.55 0.05 0.00 -1.01 0.00 0.00 66.70 63.78 1npq h VAL 80 Cb 2.02 1.93 -0.04 0.00 -2.01 0.00 0.00 31.29 33.20 1npq h VAL 80 CO 0.06 0.38 0.44 0.00 -1.01 0.00 0.00 177.57 177.44 1npq h MET 81 N 0.00 0.68 0.02 4.17 -0.00 -1.63 -0.21 114.93 117.96 1npq h MET 81 Ca -0.00 -0.04 -0.26 0.00 -0.00 0.00 0.00 59.70 59.40 1npq h MET 81 Cb 0.90 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 32.31 1npq h MET 81 CO 0.05 0.45 -1.37 0.52 -0.00 0.00 0.00 176.91 176.57 1npq h MET 82 N 0.70 0.04 -0.08 -0.10 2.07 -1.74 -3.31 114.93 112.52 1npq h MET 82 Ca 0.28 -0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.77 1npq h MET 82 Cb 0.21 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.95 1npq h MET 82 CO -0.09 0.82 -0.29 0.28 1.07 0.00 0.00 176.91 178.71 1npq h VAL 83 N 0.01 1.24 0.00 -2.22 2.07 -1.12 0.29 116.25 116.51 1npq h VAL 83 Ca -0.16 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1npq h VAL 83 Cb 1.91 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1npq h VAL 83 CO 0.11 0.33 0.00 0.54 0.02 0.00 0.00 177.57 178.58 1npq n ARG 84 N -4.15 0.09 -0.02 1.57 1.74 -0.18 -3.33 116.66 112.37 1npq n ARG 84 Ca -0.01 0.14 -0.02 0.00 -0.77 0.00 0.00 57.85 57.18 1npq n ARG 84 Cb 0.37 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1npq n ARG 84 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1npq n GLN 85 N -1.44 3.14 0.00 5.56 1.13 -0.72 -4.32 117.38 120.73 1npq n GLN 85 Ca 0.06 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1npq n GLN 85 Cb 0.21 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1npq n GLN 85 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1npq n MET 86 N -2.18 0.00 0.24 -1.09 2.81 0.93 -3.66 117.12 114.16 1npq n MET 86 Ca -0.07 0.20 0.07 0.00 -1.81 0.00 0.00 57.70 56.09 1npq n MET 86 Cb 0.64 -1.12 0.56 0.00 -0.71 0.00 0.00 33.22 32.58 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 0.00 0.00 -5.64 0.03 6.56 -1.82 -3.41 116.57 112.29 1npq h LYS 87 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1npq h LYS 87 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1npq h LYS 87 CO 0.00 0.14 1.59 -1.91 -2.06 0.00 0.00 179.45 177.21 1npq n GLU 88 N -4.31 0.99 -2.69 3.15 0.00 -1.24 -4.76 120.64 111.78 1npq n GLU 88 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1npq n GLU 88 Cb 0.21 -2.87 0.02 0.00 0.00 0.00 0.00 31.44 28.80 1npq n GLU 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1npq s ASP 89 N 10.09 -0.15 0.00 4.31 1.11 -1.26 -4.86 116.67 125.91 1npq s ASP 89 Ca 1.08 -0.11 0.00 0.00 0.18 0.00 0.00 52.55 53.70 1npq s ASP 89 Cb -0.53 0.19 0.00 0.00 1.07 0.00 0.00 42.92 43.65 1npq s ASP 89 CO 0.36 -0.01 0.00 0.00 1.18 0.00 0.00 175.17 176.70