#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 -0.29 0.01 0.00 0.15 -1.26 -5.09 113.70 107.22 1npq s SER 2 Ca 0.00 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1npq s SER 2 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1npq s SER 2 CO 0.00 -0.33 0.00 0.23 1.20 0.00 0.00 173.24 174.34 1npq n MET 3 N 0.44 0.00 -3.15 5.44 2.00 -1.26 -5.09 117.12 115.50 1npq n MET 3 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.69 1npq n MET 3 Cb 0.59 -0.35 -0.02 0.00 0.00 0.00 0.00 33.22 33.44 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 -2.00 -0.14 -1.88 2.03 -1.32 -1.26 -5.03 115.64 106.04 1npq s THR 4 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 1npq s THR 4 Cb 0.00 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 70.21 1npq s THR 4 CO 0.00 0.00 1.09 0.47 -2.21 0.00 0.00 174.62 173.97 1npq n ASP 5 N 5.48 2.56 0.08 8.08 9.92 -1.26 -4.51 116.55 136.90 1npq n ASP 5 Ca -0.08 -1.74 0.21 0.00 -0.53 0.00 0.00 54.79 52.64 1npq n ASP 5 Cb 0.55 -0.07 0.74 0.00 -0.64 0.00 0.00 41.12 41.69 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 3.13 0.00 -0.23 -1.24 3.07 -2.00 0.32 115.11 118.16 1npq h GLN 6 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1npq h GLN 6 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 1npq h GLN 6 CO 0.00 0.00 -0.01 -0.56 0.09 0.00 0.00 178.83 178.35 1npq h GLN 7 N 0.00 0.34 0.07 0.06 3.07 -1.88 -1.13 115.11 115.64 1npq h GLN 7 Ca 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.88 1npq h GLN 7 Cb 1.12 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.63 1npq h GLN 7 CO -0.00 0.38 -0.03 0.00 0.09 0.00 0.00 178.83 179.26 1npq h ALA 8 N 1.66 -0.10 -0.69 0.06 0.00 -0.70 -3.21 119.26 116.28 1npq h ALA 8 Ca 0.08 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1npq h ALA 8 Cb 0.24 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1npq h ALA 8 CO 0.01 -0.23 0.46 0.93 0.00 0.00 0.00 179.25 180.42 1npq h GLU 9 N -0.75 0.61 -0.34 0.00 5.08 -1.46 -2.58 114.58 115.13 1npq h GLU 9 Ca -0.01 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1npq h GLU 9 Cb 0.60 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1npq h GLU 9 CO 0.02 0.40 -0.50 0.00 -1.00 0.00 0.00 179.01 177.93 1npq h ALA 10 N 1.64 -0.66 -0.52 3.43 0.00 -1.21 1.20 119.26 123.15 1npq h ALA 10 Ca 0.31 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.39 1npq h ALA 10 Cb 0.40 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1npq h ALA 10 CO -0.10 -0.98 0.49 0.00 0.00 0.00 0.00 179.25 178.65 1npq h ARG 11 N -0.41 0.00 0.00 0.00 3.08 -1.51 0.43 114.38 115.97 1npq h ARG 11 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1npq h ARG 11 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1npq h ARG 11 CO -0.55 0.00 -1.35 0.00 -1.07 0.00 0.00 179.97 177.00 1npq n ALA 12 N -2.44 2.71 0.19 0.04 0.00 0.12 -4.06 120.51 117.06 1npq n ALA 12 Ca 0.10 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.25 1npq n ALA 12 Cb 0.70 -0.97 0.32 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.85 0.00 3.04 0.59 -3.45 116.94 115.27 1npq h PHE 13 Ca 0.00 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.40 1npq h PHE 13 Cb 0.97 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.40 1npq h PHE 13 CO 0.00 0.36 -0.54 -0.51 -2.02 0.00 0.00 178.31 175.61 1npq s LEU 14 N -6.95 3.23 0.58 0.59 1.43 -0.94 -5.07 118.68 111.53 1npq s LEU 14 Ca 0.01 -0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 52.20 1npq s LEU 14 Cb 0.10 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1npq s LEU 14 CO 0.68 -0.32 0.94 -0.44 0.23 0.00 0.00 176.35 177.44 1npq s SER 15 N -3.85 6.16 0.56 2.29 0.01 -1.26 -4.92 113.70 112.70 1npq s SER 15 Ca 0.38 1.20 0.31 0.00 1.31 0.00 0.00 55.95 59.15 1npq s SER 15 Cb -0.02 -2.32 1.46 0.00 0.21 0.00 0.00 66.02 65.35 1npq s SER 15 CO 0.22 -0.81 1.83 -0.33 0.41 0.00 0.00 173.24 174.57 1npq h GLU 16 N -0.14 0.00 0.47 12.44 5.08 -1.99 0.26 114.58 130.70 1npq h GLU 16 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1npq h GLU 16 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1npq h GLU 16 CO 0.62 0.00 -0.23 0.93 -1.00 0.00 0.00 179.01 179.33 1npq h GLU 17 N 0.00 -0.61 0.00 2.33 5.08 -1.99 -0.31 114.58 119.07 1npq h GLU 17 Ca 0.38 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1npq h GLU 17 Cb 1.73 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1npq h GLU 17 CO -0.00 -0.38 0.00 1.98 -1.00 0.00 0.00 179.01 179.61 1npq h MET 18 N -0.69 0.00 0.00 2.33 4.05 -1.31 -2.37 114.93 116.93 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 0.52 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1npq h MET 18 CO 0.11 0.00 -0.08 0.82 0.23 0.00 0.00 176.91 177.99 1npq h ILE 19 N 0.00 0.00 -0.71 1.77 2.04 -1.07 -2.19 117.51 117.35 1npq h ILE 19 Ca 0.00 -0.61 0.21 0.00 1.00 0.00 0.00 64.86 65.45 1npq h ILE 19 Cb 0.05 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 1npq h ILE 19 CO 0.00 0.00 0.71 0.00 0.00 0.00 0.00 178.15 178.86 1npq h ALA 20 N -1.39 2.51 0.05 1.87 0.00 -0.99 0.92 119.26 122.23 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 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1npq h ALA 20 CO 0.00 -1.08 -1.55 0.93 0.00 0.00 0.00 179.25 177.55 1npq h GLU 21 N 0.00 0.10 -0.36 0.00 5.08 -1.55 -3.31 114.58 114.54 1npq h GLU 21 Ca 0.34 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1npq h GLU 21 Cb 1.76 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1npq h GLU 21 CO -0.00 0.85 0.24 0.27 -1.00 0.00 0.00 179.01 179.37 1npq h PHE 22 N 0.03 0.46 0.00 4.33 -5.15 0.15 0.14 116.94 116.89 1npq h PHE 22 Ca -0.23 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.55 1npq h PHE 22 Cb 1.97 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.99 1npq h PHE 22 CO 0.03 0.29 0.00 -0.22 -2.00 0.00 0.00 178.31 176.41 1npq h LYS 23 N 0.49 0.00 0.00 6.09 1.63 -1.43 -3.32 116.57 120.04 1npq h LYS 23 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1npq h LYS 23 Cb -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1npq h LYS 23 CO -0.03 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.97 1npq n ALA 24 N -1.85 -0.03 1.58 5.00 0.00 0.47 -1.96 120.51 123.71 1npq n ALA 24 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1npq n ALA 24 Cb 0.34 0.24 0.76 0.00 0.00 0.00 0.00 19.45 20.79 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 -1.41 2.45 -0.16 0.00 0.00 -1.26 -3.81 120.51 116.32 1npq n ALA 25 Ca 0.00 -0.16 0.28 0.00 0.00 0.00 0.00 53.44 53.57 1npq n ALA 25 Cb 0.00 -1.43 0.72 0.00 0.00 0.00 0.00 19.45 18.75 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 0.56 116.94 119.58 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 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1npq h PHE 26 CO 0.00 0.00 -0.01 0.22 -2.23 0.00 0.00 178.31 176.29 1npq h ASP 27 N 0.00 0.00 -0.19 0.41 3.58 -1.71 -3.31 116.42 115.20 1npq h ASP 27 Ca 0.42 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.92 1npq h ASP 27 Cb 1.74 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.78 1npq h ASP 27 CO -0.00 0.39 0.18 0.24 -2.88 0.00 0.00 179.24 177.17 1npq h MET 28 N -0.78 0.00 0.03 0.28 2.86 -1.72 -3.01 114.93 112.59 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 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1npq h MET 28 CO 0.00 0.00 -0.03 0.74 1.06 0.00 0.00 176.91 178.68 1npq h PHE 29 N 0.00 -0.07 -2.29 -0.22 0.04 -0.02 -3.41 116.94 110.98 1npq h PHE 29 Ca 0.09 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.31 1npq h PHE 29 Cb 0.45 0.03 0.02 0.00 2.20 0.00 0.00 35.95 38.64 1npq h PHE 29 CO 0.00 -0.03 1.22 -0.25 -0.60 0.00 0.00 178.31 178.65 1npq n ASP 30 N -2.38 4.03 -0.10 2.17 8.00 -1.14 -4.80 116.55 122.33 1npq n ASP 30 Ca -0.01 0.89 -0.19 0.00 0.71 0.00 0.00 54.79 56.19 1npq n ASP 30 Cb 0.02 -1.50 -0.11 0.00 -0.02 0.00 0.00 41.12 39.52 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 10.51 0.21 0.00 2.24 0.00 -1.85 -3.40 119.26 126.98 1npq h ALA 31 Ca -0.49 -1.07 -0.22 0.00 0.00 0.00 0.00 54.91 53.13 1npq h ALA 31 Cb 1.25 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 1npq h ALA 31 CO 0.94 0.61 -1.39 0.38 0.00 0.00 0.00 179.25 179.79 1npq h ASP 32 N -1.00 0.00 -0.77 0.00 2.03 -1.94 -3.49 116.42 111.25 1npq h ASP 32 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 1npq h ASP 32 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1npq h ASP 32 CO -0.17 0.83 0.00 0.61 -1.03 0.00 0.00 179.24 179.48 1npq n GLY 33 N 1.44 0.90 0.00 7.15 0.00 -1.26 -4.93 105.19 108.49 1npq n GLY 33 Ca -0.10 -0.64 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 -0.53 0.00 0.79 -0.02 0.00 -1.26 -5.02 105.19 99.15 1npq n GLY 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.75 3.49 -0.02 0.00 -1.26 -5.15 105.19 103.00 1npq n GLY 35 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.04 -6.29 -4.67 1.61 8.00 -1.26 -4.69 116.55 109.29 1npq n ASP 36 Ca -0.11 0.79 -0.37 0.00 0.71 0.00 0.00 54.79 55.81 1npq n ASP 36 Cb 0.66 -2.26 -0.09 0.00 -0.02 0.00 0.00 41.12 39.41 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 -1.22 5.31 0.00 0.53 1.01 -1.03 -4.82 121.20 120.98 1npq s ILE 37 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1npq s ILE 37 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1npq s ILE 37 CO 0.00 0.33 0.00 -1.20 0.00 0.00 0.00 174.94 174.07 1npq n SER 38 N 4.23 0.29 -0.04 3.58 7.64 -1.26 -1.18 113.62 126.87 1npq n SER 38 Ca -0.13 -0.49 -0.10 0.00 1.01 0.00 0.00 58.87 59.17 1npq n SER 38 Cb 0.52 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1npq n SER 38 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1npq h THR 39 N 0.07 1.29 -0.09 0.44 1.35 -1.95 -3.05 112.91 110.97 1npq h THR 39 Ca 0.00 -1.63 -0.19 0.00 -0.55 0.00 0.00 66.41 64.04 1npq h THR 39 Cb 0.00 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1npq h THR 39 CO 0.00 0.52 -0.74 0.50 -0.25 0.00 0.00 175.52 175.56 1npq h LYS 40 N 0.57 0.48 0.00 4.72 3.64 -1.98 -3.04 116.57 120.95 1npq h LYS 40 Ca 0.04 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1npq h LYS 40 Cb 0.99 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1npq h LYS 40 CO 0.09 1.02 -0.07 0.93 -2.27 0.00 0.00 179.45 179.16 1npq h GLU 41 N 0.33 0.00 0.03 1.90 5.08 -1.86 -3.01 114.58 117.05 1npq h GLU 41 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1npq h GLU 41 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1npq h GLU 41 CO 0.13 0.07 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.12 1npq h LEU 42 N 0.00 -0.03 -1.85 1.33 -0.00 -1.42 -3.32 115.31 110.01 1npq h LEU 42 Ca -0.00 -0.29 0.25 0.00 -0.00 0.00 0.00 57.88 57.84 1npq h LEU 42 Cb 0.21 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 1npq h LEU 42 CO 0.01 0.60 0.74 1.23 -0.00 0.00 0.00 178.44 181.02 1npq h GLY 43 N -1.00 0.00 0.00 0.83 0.00 -1.48 -0.72 103.07 100.70 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 0.01 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.96 1npq n THR 44 N -3.87 0.00 0.26 4.70 -1.04 -1.14 -0.23 114.28 112.96 1npq n THR 44 Ca 0.18 1.09 0.09 0.00 -2.04 0.00 0.00 64.05 63.37 1npq n THR 44 Cb 1.04 -2.05 0.66 0.00 -1.82 0.00 0.00 70.33 68.16 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 0.91 -0.02 12.58 3.04 -1.66 -1.49 116.25 129.61 1npq h VAL 45 Ca 0.00 -0.21 -0.18 0.00 -1.01 0.00 0.00 66.70 65.30 1npq h VAL 45 Cb 0.00 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 1npq h VAL 45 CO 0.00 0.06 -0.77 0.24 -1.01 0.00 0.00 177.57 176.09 1npq h MET 46 N 0.00 0.21 0.00 4.17 2.07 -1.17 -2.70 114.93 117.51 1npq h MET 46 Ca -0.00 -0.19 -0.19 0.00 -2.07 0.00 0.00 59.70 57.25 1npq h MET 46 Cb 0.12 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 1npq h MET 46 CO 0.01 0.88 -1.04 0.00 1.07 0.00 0.00 176.91 177.83 1npq h ARG 47 N 0.13 0.00 -0.49 1.72 3.08 -0.00 0.45 114.38 119.26 1npq h ARG 47 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1npq h ARG 47 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1npq h ARG 47 CO 0.12 0.69 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 1npq n MET 48 N -3.20 2.15 -0.01 0.04 0.00 -0.62 -4.19 117.12 111.30 1npq n MET 48 Ca -0.04 -1.76 -0.01 0.00 0.00 0.00 0.00 57.70 55.90 1npq n MET 48 Cb 0.89 -1.39 -0.00 0.00 0.00 0.00 0.00 33.22 32.72 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 0.92 2.99 0.00 3.17 4.77 -1.02 -5.03 117.00 122.80 1npq n LEU 49 Ca 0.16 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1npq n LEU 49 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1npq n LEU 49 CO 0.11 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1npq n GLY 50 N 3.45 1.67 3.75 -0.72 0.00 -1.10 -5.10 105.19 107.14 1npq n GLY 50 Ca -0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1npq n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1npq s GLN 51 N 0.00 2.37 -0.33 1.61 -1.52 0.13 -4.94 119.66 116.98 1npq s GLN 51 Ca 0.00 1.38 0.17 0.00 -1.95 0.00 0.00 55.36 54.96 1npq s GLN 51 Cb 0.00 -1.90 0.45 0.00 -0.22 0.00 0.00 33.01 31.34 1npq s GLN 51 CO 0.00 -1.58 1.05 -1.71 -0.25 0.00 0.00 175.29 172.80 1npq n ASN 52 N -2.98 0.77 -4.64 5.90 2.85 -1.26 -3.30 115.26 112.60 1npq n ASN 52 Ca 0.10 -2.59 -0.43 0.00 -0.11 0.00 0.00 54.58 51.56 1npq n ASN 52 Cb 0.52 -0.21 -0.02 0.00 1.24 0.00 0.00 39.78 41.30 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 -2.50 3.98 1.41 1.20 0.04 -1.26 -5.01 135.00 132.86 1npq s PRO 53 Ca 0.26 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 1npq s PRO 53 Cb 0.44 -3.94 0.35 0.00 0.04 0.00 0.00 34.50 31.39 1npq s PRO 53 CO 0.01 -1.06 0.81 0.25 0.04 0.00 0.00 177.00 177.05 1npq n THR 54 N 5.99 0.00 -0.02 1.26 -2.24 -1.26 -4.54 114.28 113.47 1npq n THR 54 Ca 0.17 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 1npq n THR 54 Cb 0.45 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.51 0.11 -0.08 -0.78 3.64 -1.96 -1.96 116.57 112.02 1npq h LYS 55 Ca -0.38 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1npq h LYS 55 Cb 1.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1npq h LYS 55 CO 0.23 0.07 -0.13 0.00 -2.27 0.00 0.00 179.45 177.36 1npq h GLU 57 N 0.11 -0.74 -0.06 0.00 4.22 -1.67 -1.06 114.58 115.39 1npq h GLU 57 Ca 0.02 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1npq h GLU 57 Cb 0.30 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1npq h GLU 57 CO 0.02 -0.49 -0.11 -0.07 -2.18 0.00 0.00 179.01 176.17 1npq h LEU 58 N -0.78 0.07 -1.67 1.64 3.38 -1.43 -1.48 115.31 115.05 1npq h LEU 58 Ca -0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1npq h LEU 58 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1npq h LEU 58 CO 0.13 0.20 -0.19 0.44 0.09 0.00 0.00 178.44 179.11 1npq h ASP 59 N 0.08 0.00 0.69 -0.43 3.32 -0.93 0.13 116.42 119.27 1npq h ASP 59 Ca 0.02 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1npq h ASP 59 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1npq h ASP 59 CO 0.02 0.19 -0.74 0.00 -1.72 0.00 0.00 179.24 176.98 1npq h ALA 60 N 1.81 0.76 0.00 3.45 0.00 -0.08 -2.77 119.26 122.43 1npq h ALA 60 Ca -0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1npq h ALA 60 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1npq h ALA 60 CO 0.02 0.90 -0.00 0.82 0.00 0.00 0.00 179.25 181.00 1npq h ILE 61 N 0.03 0.00 -0.89 0.00 5.03 -1.28 -3.22 117.51 117.18 1npq h ILE 61 Ca -0.01 -0.90 0.25 0.00 -0.12 0.00 0.00 64.86 64.07 1npq h ILE 61 Cb 1.31 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.95 1npq h ILE 61 CO 0.10 0.00 0.22 0.40 -0.68 0.00 0.00 178.15 178.19 1npq h ILE 62 N -0.90 0.26 -0.85 -0.67 2.04 -1.13 0.96 117.51 117.22 1npq h ILE 62 Ca -0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1npq h ILE 62 Cb 0.00 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.11 1npq h ILE 62 CO 0.00 0.03 0.56 0.00 0.00 0.00 0.00 178.15 178.74 1npq h GLU 64 N 0.98 0.21 0.29 0.00 4.57 0.67 -3.33 114.58 117.96 1npq h GLU 64 Ca 0.36 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1npq h GLU 64 Cb 0.16 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1npq h GLU 64 CO -0.12 1.08 -0.14 0.28 -1.18 0.00 0.00 179.01 178.93 1npq h VAL 65 N 0.08 0.70 -2.78 0.32 2.07 0.11 -3.42 116.25 113.33 1npq h VAL 65 Ca -0.08 -0.69 -0.57 0.00 0.82 0.00 0.00 66.70 66.18 1npq h VAL 65 Cb 1.75 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1npq h VAL 65 CO 0.16 0.13 1.17 -1.81 0.02 0.00 0.00 177.57 177.24 1npq s ASP 66 N -5.14 6.22 -0.40 0.57 1.11 0.17 -4.87 116.67 114.34 1npq s ASP 66 Ca -0.14 1.45 0.05 0.00 0.18 0.00 0.00 52.55 54.10 1npq s ASP 66 Cb 0.02 -2.53 0.66 0.00 1.07 0.00 0.00 42.92 42.14 1npq s ASP 66 CO 0.53 -1.42 1.85 -0.62 1.18 0.00 0.00 175.17 176.69 1npq n GLU 67 N 7.95 2.61 -0.66 8.23 -0.58 -1.26 -4.08 120.64 132.84 1npq n GLU 67 Ca 0.20 -2.90 -0.00 0.00 -0.42 0.00 0.00 57.16 54.04 1npq n GLU 67 Cb 0.46 -2.14 -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 -0.80 0.02 -3.80 1.62 5.75 -1.26 -5.02 116.55 113.05 1npq n ASP 68 Ca 0.52 -1.64 -0.24 0.00 -0.01 0.00 0.00 54.79 53.43 1npq n ASP 68 Cb 1.55 -0.09 0.02 0.00 -1.03 0.00 0.00 41.12 41.57 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 0.06 -0.31 0.03 6.12 0.00 -1.26 -4.89 105.19 104.95 1npq n GLY 69 Ca -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.00 2.95 -0.48 1.61 3.41 -1.26 -5.00 113.62 111.85 1npq n SER 70 Ca -0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.31 1npq n SER 70 Cb 0.65 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 65.44 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 2.38 0.75 3.45 5.00 0.00 -1.26 -4.98 105.19 110.52 1npq n GLY 71 Ca -0.11 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.88 2.75 -0.41 2.61 -4.23 -1.26 -4.51 115.64 108.72 1npq s THR 72 Ca 0.00 -1.17 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1npq s THR 72 Cb 0.00 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.74 1npq s THR 72 CO 0.00 0.36 0.26 -0.63 -0.54 0.00 0.00 174.62 174.07 1npq s ILE 73 N -0.90 4.70 0.00 2.99 1.01 -0.33 -4.70 121.20 123.97 1npq s ILE 73 Ca 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1npq s ILE 73 Cb -0.10 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1npq s ILE 73 CO 0.05 -0.37 0.00 -0.67 0.00 0.00 0.00 174.94 173.95 1npq n ASP 74 N 5.04 -1.11 0.00 3.58 2.03 -1.26 -2.46 116.55 122.37 1npq n ASP 74 Ca -0.11 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.02 1npq n ASP 74 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 -2.22 0.00 0.29 -0.67 3.01 -1.26 -3.34 117.46 113.28 1npq n PHE 75 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.64 1npq n PHE 75 Cb 0.00 0.00 0.87 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 -0.52 -1.08 3.07 -1.94 -2.66 114.58 111.46 1npq h GLU 76 Ca 0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 1npq h GLU 76 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1npq h GLU 76 CO 0.00 0.03 0.48 0.93 -1.40 0.00 0.00 179.01 179.06 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.87 0.78 114.58 120.90 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1npq h GLU 77 CO 0.00 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.35 1npq n PHE 78 N -3.87 0.77 -0.06 4.33 -0.00 -1.00 -1.45 117.46 116.18 1npq n PHE 78 Ca 0.10 0.30 -0.12 0.00 -0.00 0.00 0.00 57.45 57.73 1npq n PHE 78 Cb 0.69 -0.99 -0.15 0.00 -0.00 0.00 0.00 39.48 39.04 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 -2.20 1.00 0.08 -2.13 4.32 0.27 -4.27 117.00 114.06 1npq n LEU 79 Ca 0.02 0.17 -0.05 0.00 -0.02 0.00 0.00 56.01 56.13 1npq n LEU 79 Cb 0.23 0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 41.98 1npq n LEU 79 CO 0.20 0.55 0.21 1.62 -1.22 0.00 0.00 177.39 178.75 1npq h VAL 80 N 0.01 1.61 -0.93 4.08 3.04 -1.28 -2.99 116.25 119.78 1npq h VAL 80 Ca -0.44 -3.16 0.14 0.00 -1.01 0.00 0.00 66.70 62.24 1npq h VAL 80 Cb 2.09 2.72 -0.09 0.00 -2.01 0.00 0.00 31.29 34.01 1npq h VAL 80 CO 0.04 0.89 0.55 0.00 -1.01 0.00 0.00 177.57 178.04 1npq h MET 81 N 0.00 0.78 0.05 4.17 -0.00 -1.43 0.12 114.93 118.61 1npq h MET 81 Ca -0.01 -0.05 -0.23 0.00 -0.00 0.00 0.00 59.70 59.42 1npq h MET 81 Cb 1.65 -0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 33.07 1npq h MET 81 CO 0.12 0.51 -1.03 0.52 -0.00 0.00 0.00 176.91 177.03 1npq h MET 82 N 0.80 0.20 0.00 -0.10 2.07 -1.75 -3.17 114.93 112.98 1npq h MET 82 Ca 0.49 -0.27 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 1npq h MET 82 Cb 0.62 0.09 -0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1npq h MET 82 CO -0.32 1.07 -0.10 0.28 1.07 0.00 0.00 176.91 178.90 1npq h VAL 83 N 0.08 0.35 0.00 -2.22 2.07 -0.81 0.71 116.25 116.43 1npq h VAL 83 Ca -0.07 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1npq h VAL 83 Cb 1.73 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1npq h VAL 83 CO 0.16 0.10 -0.15 0.03 0.02 0.00 0.00 177.57 177.73 1npq h ARG 84 N 0.00 0.00 0.00 1.57 3.08 -0.84 -3.16 114.38 115.02 1npq h ARG 84 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1npq h ARG 84 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1npq h ARG 84 CO 0.01 0.00 -1.80 1.04 -1.07 0.00 0.00 179.97 178.15 1npq n GLN 85 N -2.54 1.16 0.48 0.04 1.13 -0.76 -4.69 117.38 112.20 1npq n GLN 85 Ca 0.04 0.04 -0.20 0.00 -1.94 0.00 0.00 57.00 54.95 1npq n GLN 85 Cb 0.47 -1.29 -0.10 0.00 0.11 0.00 0.00 30.24 29.44 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 -1.17 -5.23 -1.09 2.86 0.28 -3.35 114.93 107.23 1npq h MET 86 Ca -0.31 0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1npq h MET 86 Cb 1.59 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 1npq h MET 86 CO -0.02 -0.78 0.29 0.15 1.06 0.00 0.00 176.91 177.61 1npq s LYS 87 N -5.95 1.53 0.19 1.72 3.01 -1.19 -4.80 119.74 114.25 1npq s LYS 87 Ca -0.19 -0.48 -0.15 0.00 -1.01 0.00 0.00 55.97 54.14 1npq s LYS 87 Cb 0.02 -5.02 0.02 0.00 -1.01 0.00 0.00 37.83 31.85 1npq s LYS 87 CO 0.60 -5.02 0.46 -2.00 0.51 0.00 0.00 175.35 169.90 1npq s GLU 88 N 8.05 1.33 -0.81 1.68 2.12 -1.26 -4.96 118.70 124.85 1npq s GLU 88 Ca 0.80 -0.95 -0.25 0.00 0.36 0.00 0.00 54.97 54.93 1npq s GLU 88 Cb -0.05 0.48 -0.15 0.00 0.26 0.00 0.00 34.13 34.67 1npq s GLU 88 CO 0.15 -0.55 2.40 -0.25 -0.54 0.00 0.00 175.26 176.47 1npq n ASP 89 N -0.31 1.64 -0.14 -1.70 8.00 -1.26 -5.19 116.55 117.59 1npq n ASP 89 Ca -0.09 -1.48 0.15 0.00 0.71 0.00 0.00 54.79 54.08 1npq n ASP 89 Cb 0.63 -1.61 0.82 0.00 -0.02 0.00 0.00 41.12 40.94 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81