#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npq n SER 2 N 0.00 -4.18 0.00 0.00 7.64 -1.26 -5.02 113.62 110.80 1npq n SER 2 Ca 0.00 1.55 0.00 0.00 1.01 0.00 0.00 58.87 61.43 1npq n SER 2 Cb 0.00 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.01 1npq n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1npq n MET 3 N 1.74 0.00 -3.55 1.43 2.00 -1.26 -5.13 117.12 112.36 1npq n MET 3 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.45 1npq n MET 3 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.55 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 -1.39 -0.59 -1.71 2.03 -1.32 -1.26 -5.03 115.64 106.36 1npq s THR 4 Ca 0.00 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 1npq s THR 4 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.11 1npq s THR 4 CO 0.00 0.00 0.95 -0.90 -2.21 0.00 0.00 174.62 172.46 1npq n ASP 5 N 4.96 2.19 0.17 8.08 5.75 -1.26 -4.53 116.55 131.91 1npq n ASP 5 Ca -0.12 -1.59 0.18 0.00 -0.01 0.00 0.00 54.79 53.25 1npq n ASP 5 Cb 0.52 -0.01 0.80 0.00 -1.03 0.00 0.00 41.12 41.41 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1npq h GLN 6 N 2.71 0.00 0.00 0.11 3.07 -2.00 0.47 115.11 119.47 1npq h GLN 6 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1npq h GLN 6 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 1npq h GLN 6 CO 0.00 0.00 -0.03 1.96 0.09 0.00 0.00 178.83 180.85 1npq h GLN 7 N 0.00 0.00 0.00 0.06 7.50 -1.90 -3.02 115.11 117.75 1npq h GLN 7 Ca 0.12 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.20 1npq h GLN 7 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.26 1npq h GLN 7 CO -0.00 0.03 -0.40 0.00 -1.50 0.00 0.00 178.83 176.96 1npq h ALA 8 N 1.97 0.08 -0.95 3.87 0.00 -0.39 -3.34 119.26 120.51 1npq h ALA 8 Ca -0.00 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.28 1npq h ALA 8 Cb 0.96 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1npq h ALA 8 CO 0.00 0.22 0.61 0.93 0.00 0.00 0.00 179.25 181.02 1npq h GLU 9 N -1.00 0.97 -0.66 0.00 4.39 -1.54 -2.63 114.58 114.10 1npq h GLU 9 Ca -0.11 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.61 1npq h GLU 9 Cb 1.09 -0.22 -0.11 0.00 -0.10 0.00 0.00 28.75 29.42 1npq h GLU 9 CO -0.07 0.64 -0.51 0.00 -1.16 0.00 0.00 179.01 177.92 1npq h ALA 10 N 1.52 -0.49 -0.38 3.43 0.00 -1.65 1.44 119.26 123.13 1npq h ALA 10 Ca 0.43 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.54 1npq h ALA 10 Cb 0.34 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1npq h ALA 10 CO -0.19 -0.92 0.43 0.00 0.00 0.00 0.00 179.25 178.57 1npq h ARG 11 N -0.21 0.00 0.00 0.00 3.08 -1.60 0.34 114.38 115.99 1npq h ARG 11 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1npq h ARG 11 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1npq h ARG 11 CO -0.75 0.00 -1.67 0.00 -1.07 0.00 0.00 179.97 176.49 1npq n ALA 12 N -2.31 2.84 0.16 0.04 0.00 0.28 -4.19 120.51 117.33 1npq n ALA 12 Ca 0.07 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.10 1npq n ALA 12 Cb 0.60 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.05 0.00 3.04 0.55 -3.45 116.94 115.03 1npq h PHE 13 Ca 0.00 0.00 -0.51 0.00 3.98 0.00 0.00 57.97 61.44 1npq h PHE 13 Cb 0.97 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.43 1npq h PHE 13 CO 0.00 0.43 -0.50 -0.51 -2.02 0.00 0.00 178.31 175.71 1npq s LEU 14 N -6.55 3.67 0.66 0.59 1.43 -0.63 -5.06 118.68 112.79 1npq s LEU 14 Ca 0.03 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1npq s LEU 14 Cb 0.08 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1npq s LEU 14 CO 0.72 -0.17 1.06 -0.55 0.23 0.00 0.00 176.35 177.64 1npq s SER 15 N -3.89 5.82 0.57 2.29 0.15 -1.26 -4.91 113.70 112.47 1npq s SER 15 Ca 0.36 1.31 0.31 0.00 0.70 0.00 0.00 55.95 58.63 1npq s SER 15 Cb -0.07 -2.24 1.44 0.00 -1.71 0.00 0.00 66.02 63.44 1npq s SER 15 CO 0.25 -1.12 1.83 -0.33 1.20 0.00 0.00 173.24 175.07 1npq h GLU 16 N -0.50 0.00 0.52 5.44 5.08 -1.99 0.08 114.58 123.22 1npq h GLU 16 Ca -0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1npq h GLU 16 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1npq h GLU 16 CO 0.62 0.00 -0.25 0.93 -1.00 0.00 0.00 179.01 179.31 1npq h GLU 17 N 0.00 -0.68 0.00 2.33 3.07 -1.99 0.24 114.58 117.55 1npq h GLU 17 Ca 0.36 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1npq h GLU 17 Cb 1.67 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.73 1npq h GLU 17 CO -0.00 -0.42 -0.00 1.98 -1.40 0.00 0.00 179.01 179.16 1npq h MET 18 N -0.76 0.00 0.00 2.33 4.05 -1.34 -1.76 114.93 117.44 1npq h MET 18 Ca -0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1npq h MET 18 Cb 0.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1npq h MET 18 CO 0.12 0.00 -0.17 0.82 0.23 0.00 0.00 176.91 177.90 1npq h ILE 19 N 0.00 0.00 -0.70 1.77 2.04 -1.09 -2.20 117.51 117.33 1npq h ILE 19 Ca -0.00 -0.56 0.20 0.00 1.00 0.00 0.00 64.86 65.50 1npq h ILE 19 Cb 0.01 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.07 1npq h ILE 19 CO 0.00 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.87 1npq h ALA 20 N -1.44 2.50 0.02 1.87 0.00 -0.49 1.06 119.26 122.78 1npq h ALA 20 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1npq h ALA 20 Cb 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1npq h ALA 20 CO 0.00 -1.08 -1.65 0.93 0.00 0.00 0.00 179.25 177.45 1npq h GLU 21 N 0.00 0.03 -0.49 0.00 5.08 -1.47 -3.33 114.58 114.41 1npq h GLU 21 Ca 0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1npq h GLU 21 Cb 1.77 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 1npq h GLU 21 CO -0.00 0.63 0.32 0.35 -1.00 0.00 0.00 179.01 179.31 1npq h PHE 22 N 0.01 0.61 0.00 4.33 3.04 0.18 0.86 116.94 125.97 1npq h PHE 22 Ca -0.26 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.70 1npq h PHE 22 Cb 1.99 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.29 1npq h PHE 22 CO 0.01 0.39 0.00 -0.22 -2.02 0.00 0.00 178.31 176.47 1npq h LYS 23 N 0.66 0.00 0.00 1.11 3.11 -1.42 -3.31 116.57 116.71 1npq h LYS 23 Ca 0.18 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1npq h LYS 23 Cb -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1npq h LYS 23 CO -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.60 1npq n ALA 24 N -1.93 -0.02 1.22 5.00 0.00 0.29 -1.97 120.51 123.10 1npq n ALA 24 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1npq n ALA 24 Cb 0.33 0.22 0.61 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.23 2.23 0.01 0.00 0.00 -1.26 -3.64 120.51 116.62 1npq n ALA 25 Ca 0.00 -0.12 0.23 0.00 0.00 0.00 0.00 53.44 53.55 1npq n ALA 25 Cb 0.00 -1.36 0.71 0.00 0.00 0.00 0.00 19.45 18.81 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 3.57 -1.49 0.60 116.94 119.62 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 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1npq h PHE 26 CO 0.00 0.00 -0.21 0.22 -2.23 0.00 0.00 178.31 176.09 1npq h ASP 27 N 0.00 0.00 -0.13 0.41 3.58 -1.70 -3.35 116.42 115.23 1npq h ASP 27 Ca 0.27 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.76 1npq h ASP 27 Cb 1.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 1npq h ASP 27 CO -0.00 0.55 0.13 0.24 -2.88 0.00 0.00 179.24 177.28 1npq h MET 28 N -0.89 0.00 0.17 0.28 2.86 -1.71 -3.01 114.93 112.63 1npq h MET 28 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1npq h MET 28 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1npq h MET 28 CO 0.00 0.00 -0.14 0.74 1.06 0.00 0.00 176.91 178.57 1npq h PHE 29 N 0.00 -0.38 -2.23 -0.22 0.04 0.04 -3.41 116.94 110.77 1npq h PHE 29 Ca 0.06 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.27 1npq h PHE 29 Cb 0.33 0.15 0.02 0.00 2.20 0.00 0.00 35.95 38.65 1npq h PHE 29 CO 0.00 -0.19 1.19 -0.25 -0.60 0.00 0.00 178.31 178.45 1npq n ASP 30 N -3.14 3.90 -0.10 2.17 8.00 -1.14 -4.80 116.55 121.45 1npq n ASP 30 Ca -0.04 0.93 -0.24 0.00 0.71 0.00 0.00 54.79 56.15 1npq n ASP 30 Cb 0.13 -1.47 -0.11 0.00 -0.02 0.00 0.00 41.12 39.65 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 7.20 0.99 0.01 2.24 0.00 -1.26 -4.52 120.51 125.18 1npq n ALA 31 Ca 0.21 -0.75 0.02 0.00 0.00 0.00 0.00 53.44 52.91 1npq n ALA 31 Cb 0.36 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 1npq n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1npq n ASP 32 N -4.12 0.59 -2.64 0.00 5.75 -1.26 -5.03 116.55 109.85 1npq n ASP 32 Ca -0.41 0.26 -0.07 0.00 -0.01 0.00 0.00 54.79 54.56 1npq n ASP 32 Cb 0.83 0.61 0.03 0.00 -1.03 0.00 0.00 41.12 41.57 1npq n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1npq n GLY 33 N 1.40 -0.63 0.46 6.12 0.00 -1.26 -4.93 105.19 106.35 1npq n GLY 33 Ca -0.11 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.38 0.05 0.00 -0.02 0.00 -1.26 -5.11 105.19 97.47 1npq n GLY 34 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.41 0.34 1.77 -0.02 0.00 -1.26 -5.15 105.19 99.46 1npq n GLY 35 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.05 -4.62 1.61 8.00 -1.26 -4.93 116.55 114.30 1npq n ASP 36 Ca 0.00 -1.77 -0.43 0.00 0.71 0.00 0.00 54.79 53.30 1npq n ASP 36 Cb 0.00 1.76 -0.03 0.00 -0.02 0.00 0.00 41.12 42.83 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 -2.58 4.63 0.00 0.53 1.01 -0.99 -4.68 121.20 119.13 1npq s ILE 37 Ca 0.08 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1npq s ILE 37 Cb -0.02 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1npq s ILE 37 CO 0.06 -0.41 0.00 -1.54 0.00 0.00 0.00 174.94 173.05 1npq n SER 38 N 6.61 0.00 0.19 3.58 3.41 -1.26 -0.34 113.62 125.81 1npq n SER 38 Ca 0.08 -0.49 0.04 0.00 -0.26 0.00 0.00 58.87 58.24 1npq n SER 38 Cb 0.48 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.82 1npq n SER 38 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1npq h THR 39 N -0.05 1.17 0.15 6.66 1.35 -1.91 -2.98 112.91 117.30 1npq h THR 39 Ca 0.00 -1.23 -0.23 0.00 -0.55 0.00 0.00 66.41 64.39 1npq h THR 39 Cb 0.00 1.68 0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1npq h THR 39 CO 0.00 0.34 -1.09 0.11 -0.25 0.00 0.00 175.52 174.63 1npq h LYS 40 N 0.00 0.31 -0.09 4.72 1.57 -1.95 -3.23 116.57 117.90 1npq h LYS 40 Ca -0.00 -0.53 0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1npq h LYS 40 Cb 0.65 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1npq h LYS 40 CO 0.05 1.25 0.18 0.93 -0.57 0.00 0.00 179.45 181.29 1npq h GLU 41 N -0.29 0.00 0.00 3.15 5.08 -1.85 -2.58 114.58 118.09 1npq h GLU 41 Ca -0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1npq h GLU 41 Cb 1.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1npq h GLU 41 CO 0.14 0.00 -0.01 1.25 -1.00 0.00 0.00 179.01 179.38 1npq h LEU 42 N 0.00 0.00 -1.83 1.33 7.12 -1.60 -3.33 115.31 117.01 1npq h LEU 42 Ca 0.04 -0.13 0.18 0.00 0.13 0.00 0.00 57.88 58.10 1npq h LEU 42 Cb 0.40 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 1npq h LEU 42 CO -0.00 0.57 0.62 1.23 -0.13 0.00 0.00 178.44 180.73 1npq h GLY 43 N -1.00 0.00 0.00 3.75 0.00 -1.51 -1.05 103.07 103.27 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 -3.71 0.00 0.25 4.70 -1.04 -1.00 -0.07 114.28 113.42 1npq n THR 44 Ca 0.12 1.16 0.09 0.00 -2.04 0.00 0.00 64.05 63.38 1npq n THR 44 Cb 0.85 -2.10 0.65 0.00 -1.82 0.00 0.00 70.33 67.91 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 0.89 -0.01 12.58 3.04 -1.66 -1.29 116.25 129.80 1npq h VAL 45 Ca 0.00 -0.34 -0.14 0.00 -1.01 0.00 0.00 66.70 65.21 1npq h VAL 45 Cb 0.00 1.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 1npq h VAL 45 CO 0.00 0.09 -0.65 0.24 -1.01 0.00 0.00 177.57 176.24 1npq h MET 46 N 0.00 0.06 0.00 4.17 2.07 -1.19 -2.71 114.93 117.33 1npq h MET 46 Ca -0.00 -0.04 -0.26 0.00 -2.07 0.00 0.00 59.70 57.32 1npq h MET 46 Cb 0.18 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.88 1npq h MET 46 CO 0.01 0.69 -1.43 0.00 1.07 0.00 0.00 176.91 177.24 1npq h ARG 47 N 0.04 0.00 -0.39 1.72 3.08 0.25 0.21 114.38 119.29 1npq h ARG 47 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1npq h ARG 47 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1npq h ARG 47 CO 0.09 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 1npq n MET 48 N -3.17 1.90 -0.00 0.04 0.00 -0.56 -4.06 117.12 111.27 1npq n MET 48 Ca -0.10 -1.38 -0.01 0.00 0.00 0.00 0.00 57.70 56.21 1npq n MET 48 Cb 1.01 -1.30 -0.00 0.00 0.00 0.00 0.00 33.22 32.92 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 0.62 2.69 0.00 3.17 4.77 -1.02 -5.03 117.00 122.20 1npq n LEU 49 Ca 0.13 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1npq n LEU 49 Cb 0.33 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1npq n LEU 49 CO 0.09 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1npq n GLY 50 N 3.41 1.42 3.75 -0.72 0.00 -1.14 -5.10 105.19 106.80 1npq n GLY 50 Ca -0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 1.96 -0.34 1.61 2.00 0.71 -4.94 119.66 120.65 1npq s GLN 51 Ca 0.00 1.22 0.15 0.00 -2.00 0.00 0.00 55.36 54.74 1npq s GLN 51 Cb 0.00 -1.86 0.43 0.00 0.80 0.00 0.00 33.01 32.38 1npq s GLN 51 CO 0.00 -1.87 1.00 -1.71 -0.50 0.00 0.00 175.29 172.21 1npq n ASN 52 N -3.68 0.66 -4.62 6.67 5.15 -1.26 -3.45 115.26 114.73 1npq n ASN 52 Ca 0.09 -2.74 -0.43 0.00 -0.60 0.00 0.00 54.58 50.91 1npq n ASN 52 Cb 0.53 -0.19 -0.02 0.00 -0.53 0.00 0.00 39.78 39.56 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 -2.35 3.66 1.24 1.20 0.04 -1.26 -5.00 135.00 132.53 1npq s PRO 53 Ca 0.28 1.38 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1npq s PRO 53 Cb 0.43 -4.05 0.26 0.00 0.04 0.00 0.00 34.50 31.18 1npq s PRO 53 CO -0.00 -1.46 0.61 0.25 0.04 0.00 0.00 177.00 176.44 1npq n THR 54 N 6.77 0.00 -0.03 1.26 -2.24 -1.26 -4.56 114.28 114.22 1npq n THR 54 Ca 0.19 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1npq n THR 54 Cb 0.46 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.90 0.13 -0.61 -0.78 1.63 -1.94 -2.13 116.57 109.98 1npq h LYS 55 Ca -0.46 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 1npq h LYS 55 Cb 1.22 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 1npq h LYS 55 CO 0.32 0.09 0.33 0.00 -3.45 0.00 0.00 179.45 176.74 1npq h GLU 57 N 0.85 -1.18 -0.12 0.00 4.81 -1.71 0.48 114.58 117.71 1npq h GLU 57 Ca 0.22 0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1npq h GLU 57 Cb 0.03 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1npq h GLU 57 CO -0.03 -0.78 -0.20 -0.07 -0.73 0.00 0.00 179.01 177.19 1npq h LEU 58 N -1.22 0.19 -1.02 1.64 3.38 -1.31 -1.91 115.31 115.06 1npq h LEU 58 Ca -0.11 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1npq h LEU 58 Cb 0.97 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1npq h LEU 58 CO 0.12 0.41 -0.30 -0.78 0.09 0.00 0.00 178.44 177.97 1npq h ASP 59 N 0.19 0.00 0.78 -0.43 3.58 -0.47 -1.29 116.42 118.78 1npq h ASP 59 Ca 0.03 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 1npq h ASP 59 Cb 0.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1npq h ASP 59 CO 0.03 0.30 -0.90 0.00 -2.88 0.00 0.00 179.24 175.79 1npq h ALA 60 N 1.70 0.52 0.01 -0.78 0.00 0.76 -2.90 119.26 118.56 1npq h ALA 60 Ca -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1npq h ALA 60 Cb 0.82 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1npq h ALA 60 CO 0.04 1.04 -0.01 0.82 0.00 0.00 0.00 179.25 181.14 1npq h ILE 61 N 0.03 0.00 -0.91 0.00 5.03 -1.26 -3.25 117.51 117.16 1npq h ILE 61 Ca -0.03 -0.95 0.25 0.00 -0.12 0.00 0.00 64.86 64.01 1npq h ILE 61 Cb 1.56 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 35.21 1npq h ILE 61 CO 0.12 0.00 0.31 0.40 -0.68 0.00 0.00 178.15 178.31 1npq h ILE 62 N -0.97 0.32 -0.54 -0.67 2.04 -1.39 1.15 117.51 117.46 1npq h ILE 62 Ca -0.00 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1npq h ILE 62 Cb 0.01 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 1npq h ILE 62 CO 0.00 0.04 0.36 0.00 0.00 0.00 0.00 178.15 178.56 1npq h GLU 64 N 0.44 0.23 0.00 0.00 4.81 0.98 -3.36 114.58 117.68 1npq h GLU 64 Ca 0.24 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1npq h GLU 64 Cb 0.37 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1npq h GLU 64 CO -0.06 1.07 -0.00 0.28 -0.73 0.00 0.00 179.01 179.56 1npq h VAL 65 N 0.06 1.22 -2.85 0.32 2.07 0.12 -3.41 116.25 113.77 1npq h VAL 65 Ca -0.28 -0.64 -0.57 0.00 0.82 0.00 0.00 66.70 66.03 1npq h VAL 65 Cb 2.02 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 1npq h VAL 65 CO 0.14 0.17 1.20 -1.81 0.02 0.00 0.00 177.57 177.29 1npq s ASP 66 N -5.47 6.09 -0.45 0.57 1.11 0.21 -4.86 116.67 113.87 1npq s ASP 66 Ca -0.15 1.22 0.04 0.00 0.18 0.00 0.00 52.55 53.85 1npq s ASP 66 Cb 0.04 -2.53 0.64 0.00 1.07 0.00 0.00 42.92 42.14 1npq s ASP 66 CO 0.67 -1.56 1.89 -0.62 1.18 0.00 0.00 175.17 176.73 1npq n GLU 67 N 8.22 2.25 0.00 8.23 -0.58 -1.26 -4.37 120.64 133.13 1npq n GLU 67 Ca 0.21 -3.04 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 1npq n GLU 67 Cb 0.47 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1npq n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1npq n ASP 68 N -1.13 0.16 0.00 1.62 5.75 -1.26 -5.08 116.55 116.61 1npq n ASP 68 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.36 1npq n ASP 68 Cb 1.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.66 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 1.65 1.00 0.03 6.12 0.00 -1.26 -5.05 105.19 107.67 1npq n GLY 69 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 2.43 0.00 1.61 3.41 -1.26 -5.00 113.62 114.81 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 0.00 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 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 2.10 0.31 3.60 5.00 0.00 -1.26 -4.99 105.19 109.94 1npq n GLY 71 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.63 2.07 -0.18 2.61 -4.23 -1.26 -4.19 115.64 108.83 1npq s THR 72 Ca 0.00 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1npq s THR 72 Cb 0.00 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.97 1npq s THR 72 CO 0.00 -0.06 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.19 1npq s ILE 73 N -2.68 2.12 0.00 2.99 1.01 0.53 -4.67 121.20 120.50 1npq s ILE 73 Ca 0.34 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1npq s ILE 73 Cb 0.08 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1npq s ILE 73 CO 0.18 0.54 0.00 -0.67 0.00 0.00 0.00 174.94 174.98 1npq n ASP 74 N 4.58 -0.54 0.00 3.58 2.03 -1.26 -2.33 116.55 122.60 1npq n ASP 74 Ca -0.21 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1npq n ASP 74 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1npq n ASP 74 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1npq n PHE 75 N -1.57 0.00 0.24 -0.67 -0.00 -1.26 -3.48 117.46 110.72 1npq n PHE 75 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 1npq n PHE 75 Cb 0.00 -0.34 0.54 0.00 -0.00 0.00 0.00 39.48 39.68 1npq n PHE 75 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1npq h GLU 76 N 0.00 0.00 -0.53 -4.13 9.09 -1.94 -3.02 114.58 114.05 1npq h GLU 76 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.56 1npq h GLU 76 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 1npq h GLU 76 CO 0.00 0.13 0.49 0.93 0.05 0.00 0.00 179.01 180.61 1npq h GLU 77 N 0.00 0.00 0.00 1.06 5.08 -1.83 0.68 114.58 119.57 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 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1npq h GLU 77 CO 0.02 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.37 1npq n PHE 78 N -3.88 0.19 -0.08 4.33 -0.00 -1.14 -1.89 117.46 114.99 1npq n PHE 78 Ca 0.10 0.07 -0.22 0.00 -0.00 0.00 0.00 57.45 57.40 1npq n PHE 78 Cb 0.70 -0.62 -0.12 0.00 -0.00 0.00 0.00 39.48 39.44 1npq n PHE 78 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1npq n LEU 79 N -1.67 2.44 0.09 -2.13 4.32 0.23 -4.30 117.00 115.99 1npq n LEU 79 Ca 0.03 0.18 0.01 0.00 -0.02 0.00 0.00 56.01 56.22 1npq n LEU 79 Cb 0.19 -0.97 0.36 0.00 -1.62 0.00 0.00 43.42 41.38 1npq n LEU 79 CO 0.16 0.71 0.88 1.62 -1.22 0.00 0.00 177.39 179.53 1npq h VAL 80 N -0.38 1.19 -0.91 4.08 3.04 -1.40 -2.63 116.25 119.25 1npq h VAL 80 Ca -0.51 -0.85 0.18 0.00 -1.01 0.00 0.00 66.70 64.51 1npq h VAL 80 Cb 1.77 1.20 -0.11 0.00 -2.01 0.00 0.00 31.29 32.14 1npq h VAL 80 CO -0.13 0.27 0.48 0.00 -1.01 0.00 0.00 177.57 177.18 1npq h MET 81 N 0.28 0.59 0.04 4.17 -0.00 -1.56 0.32 114.93 118.77 1npq h MET 81 Ca 0.06 -0.04 -0.26 0.00 -0.00 0.00 0.00 59.70 59.46 1npq h MET 81 Cb 0.41 -0.13 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 1npq h MET 81 CO 0.02 0.39 -1.07 1.98 -0.00 0.00 0.00 176.91 178.23 1npq h MET 82 N 0.61 0.50 -0.61 -0.10 -1.53 -1.68 -3.23 114.93 108.89 1npq h MET 82 Ca 0.52 -0.60 0.08 0.00 -3.44 0.00 0.00 59.70 56.26 1npq h MET 82 Cb 0.83 0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 32.03 1npq h MET 82 CO -0.41 1.23 0.41 0.28 0.14 0.00 0.00 176.91 178.56 1npq h VAL 83 N 0.26 0.94 0.00 -5.77 2.07 -0.70 1.20 116.25 114.25 1npq h VAL 83 Ca -0.12 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1npq h VAL 83 Cb 1.73 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1npq h VAL 83 CO 0.19 0.09 0.00 0.03 0.02 0.00 0.00 177.57 177.91 1npq h ARG 84 N 0.51 0.00 0.00 1.57 3.08 -1.18 -2.38 114.38 115.98 1npq h ARG 84 Ca 0.27 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.19 1npq h ARG 84 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1npq h ARG 84 CO -0.08 0.00 -1.67 1.04 -1.07 0.00 0.00 179.97 178.18 1npq n GLN 85 N -2.39 1.68 0.06 0.04 1.13 0.64 -4.04 117.38 114.50 1npq n GLN 85 Ca 0.03 -0.04 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1npq n GLN 85 Cb 0.30 -1.28 -0.08 0.00 0.11 0.00 0.00 30.24 29.29 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 -0.22 0.00 -1.09 2.86 0.13 -3.02 114.93 113.59 1npq h MET 86 Ca -0.20 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 1npq h MET 86 Cb 1.32 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1npq h MET 86 CO 0.01 0.20 -0.39 0.87 1.06 0.00 0.00 176.91 178.66 1npq h LYS 87 N -0.86 0.00 -1.96 1.72 6.56 -1.65 -3.42 116.57 116.96 1npq h LYS 87 Ca -0.02 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.50 1npq h LYS 87 Cb 0.52 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 31.91 1npq h LYS 87 CO 0.04 0.39 -0.37 -1.21 -2.06 0.00 0.00 179.45 176.24 1npq s GLU 88 N -4.07 0.40 0.51 3.15 2.02 -1.24 -5.11 118.70 114.36 1npq s GLU 88 Ca -0.02 0.87 0.04 0.00 0.02 0.00 0.00 54.97 55.88 1npq s GLU 88 Cb 0.14 0.09 0.04 0.00 0.10 0.00 0.00 34.13 34.50 1npq s GLU 88 CO 0.72 -0.47 0.34 -3.47 0.02 0.00 0.00 175.26 172.40 1npq n ASP 89 N 5.39 2.71 0.00 -0.19 2.03 -1.14 -3.62 116.55 121.74 1npq n ASP 89 Ca -0.06 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.46 1npq n ASP 89 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28