#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 -7.73 0.00 0.00 7.64 -1.26 -5.05 113.62 107.22 1npq n SER 2 Ca 0.00 1.53 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1npq n SER 2 Cb 0.00 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 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 -2.04 0.00 -3.46 1.43 2.00 -1.26 -5.12 117.12 108.67 1npq n MET 3 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 1npq n MET 3 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 33.22 33.47 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 -1.59 -0.53 -2.13 2.03 -1.32 -1.26 -5.02 115.64 105.82 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 4.94 0.51 0.16 8.08 9.92 -1.26 -3.97 116.55 134.94 1npq n ASP 5 Ca -0.10 -1.33 0.19 0.00 -0.53 0.00 0.00 54.79 53.01 1npq n ASP 5 Cb 0.52 -0.02 0.78 0.00 -0.64 0.00 0.00 41.12 41.77 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 0.74 0.00 0.00 -1.24 -0.00 -2.00 0.50 115.11 113.12 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1npq h GLN 6 CO 0.00 0.00 -1.01 0.00 -0.00 0.00 0.00 178.83 177.82 1npq n GLN 7 N -3.59 0.33 -0.09 0.06 10.64 -1.25 -3.59 117.38 119.87 1npq n GLN 7 Ca 0.04 0.01 -0.21 0.00 -1.83 0.00 0.00 57.00 55.01 1npq n GLN 7 Cb 0.50 -1.62 -0.12 0.00 -0.86 0.00 0.00 30.24 28.15 1npq n GLN 7 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1npq h ALA 8 N 2.48 0.23 -0.85 2.61 0.00 -0.36 -3.35 119.26 120.02 1npq h ALA 8 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 54.91 53.79 1npq h ALA 8 Cb 0.76 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1npq h ALA 8 CO 0.00 0.63 0.56 0.93 0.00 0.00 0.00 179.25 181.37 1npq h GLU 9 N -0.95 1.13 -0.50 0.00 4.39 -1.19 -2.89 114.58 114.57 1npq h GLU 9 Ca -0.31 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.40 1npq h GLU 9 Cb 1.30 -0.25 -0.10 0.00 -0.10 0.00 0.00 28.75 29.60 1npq h GLU 9 CO -0.17 0.75 -0.43 0.00 -1.16 0.00 0.00 179.01 178.00 1npq h ALA 10 N 1.31 -0.37 -0.46 3.43 0.00 -1.73 1.19 119.26 122.62 1npq h ALA 10 Ca 0.31 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.44 1npq h ALA 10 Cb -0.13 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1npq h ALA 10 CO -0.07 -0.84 0.44 -0.09 0.00 0.00 0.00 179.25 178.69 1npq h ARG 11 N -0.27 0.00 0.00 0.00 2.43 -1.64 0.36 114.38 115.26 1npq h ARG 11 Ca 0.16 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1npq h ARG 11 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1npq h ARG 11 CO -0.63 0.00 -1.43 0.00 -1.51 0.00 0.00 179.97 176.40 1npq n ALA 12 N -2.42 2.43 0.22 2.80 0.00 0.22 -4.03 120.51 119.72 1npq n ALA 12 Ca 0.08 -0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.19 1npq n ALA 12 Cb 0.64 -0.93 0.43 0.00 0.00 0.00 0.00 19.45 19.59 1npq n ALA 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1npq h PHE 13 N 0.00 0.00 -2.09 0.00 0.04 0.53 -3.44 116.94 111.98 1npq h PHE 13 Ca -0.06 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.16 1npq h PHE 13 Cb 1.18 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.24 1npq h PHE 13 CO 0.00 0.24 -0.61 -0.51 -0.60 0.00 0.00 178.31 176.84 1npq s LEU 14 N -6.80 3.23 0.60 1.54 1.43 -0.91 -5.07 118.68 112.70 1npq s LEU 14 Ca 0.01 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 1npq s LEU 14 Cb 0.10 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1npq s LEU 14 CO 0.64 -0.11 0.99 -0.55 0.23 0.00 0.00 176.35 177.56 1npq s SER 15 N -3.74 6.20 0.57 2.29 0.15 -1.26 -4.91 113.70 113.00 1npq s SER 15 Ca 0.34 1.33 0.31 0.00 0.70 0.00 0.00 55.95 58.62 1npq s SER 15 Cb -0.05 -2.41 1.44 0.00 -1.71 0.00 0.00 66.02 63.29 1npq s SER 15 CO 0.21 -0.84 1.82 -0.33 1.20 0.00 0.00 173.24 175.29 1npq h GLU 16 N -0.25 0.00 0.46 5.44 3.07 -1.98 0.26 114.58 121.57 1npq h GLU 16 Ca -0.44 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 1npq h GLU 16 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1npq h GLU 16 CO 0.62 0.00 -0.22 0.93 -1.40 0.00 0.00 179.01 178.94 1npq h GLU 17 N 0.00 -0.59 -0.00 2.33 4.39 -1.99 0.56 114.58 119.28 1npq h GLU 17 Ca 0.36 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1npq h GLU 17 Cb 1.70 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1npq h GLU 17 CO -0.00 -0.35 0.02 1.98 -1.16 0.00 0.00 179.01 179.50 1npq h MET 18 N -0.70 0.00 0.00 2.33 4.05 -1.31 -1.71 114.93 117.60 1npq h MET 18 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1npq h MET 18 Cb 0.51 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1npq h MET 18 CO 0.10 0.00 -0.13 0.82 0.23 0.00 0.00 176.91 177.94 1npq h ILE 19 N 0.00 0.00 -0.68 1.77 2.04 -1.15 -2.48 117.51 117.00 1npq h ILE 19 Ca 0.00 -0.54 0.20 0.00 1.00 0.00 0.00 64.86 65.52 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 0.69 0.00 0.00 0.00 0.00 178.15 178.84 1npq h ALA 20 N -1.46 2.48 0.05 1.87 0.00 -0.83 0.97 119.26 122.33 1npq h ALA 20 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1npq h ALA 20 Cb 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1npq h ALA 20 CO 0.00 -1.04 -1.46 0.93 0.00 0.00 0.00 179.25 177.69 1npq h GLU 21 N 0.00 0.10 -0.40 0.00 5.08 -1.45 -3.29 114.58 114.61 1npq h GLU 21 Ca 0.32 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1npq h GLU 21 Cb 1.69 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 1npq h GLU 21 CO -0.00 0.88 0.21 0.27 -1.00 0.00 0.00 179.01 179.37 1npq h PHE 22 N 0.03 0.53 0.00 4.33 -5.15 0.14 0.48 116.94 117.30 1npq h PHE 22 Ca -0.20 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.57 1npq h PHE 22 Cb 1.95 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.94 1npq h PHE 22 CO 0.03 0.38 0.00 1.17 -2.00 0.00 0.00 178.31 177.89 1npq n LYS 23 N -4.43 0.23 0.00 6.09 3.00 -0.73 -4.00 118.16 118.33 1npq n LYS 23 Ca 0.03 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 1npq n LYS 23 Cb 0.10 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.29 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 -1.79 -0.10 0.91 3.14 0.00 0.16 -1.41 120.51 121.43 1npq n ALA 24 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1npq n ALA 24 Cb 0.34 0.30 0.47 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 -2.11 2.01 -0.34 0.00 0.00 -1.26 -3.60 120.51 115.21 1npq n ALA 25 Ca 0.00 -0.09 0.36 0.00 0.00 0.00 0.00 53.44 53.71 1npq n ALA 25 Cb 0.00 -1.29 0.75 0.00 0.00 0.00 0.00 19.45 18.91 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 0.03 0.13 0.00 3.57 -1.37 0.87 116.94 120.17 1npq h PHE 26 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1npq h PHE 26 Cb 0.12 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1npq h PHE 26 CO 0.00 0.00 -0.06 0.22 -2.23 0.00 0.00 178.31 176.24 1npq h ASP 27 N 0.02 -0.15 -0.07 0.41 1.82 -1.71 -3.15 116.42 113.59 1npq h ASP 27 Ca 0.59 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 57.25 1npq h ASP 27 Cb 2.31 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 42.36 1npq h ASP 27 CO -0.02 0.02 0.06 0.24 -1.61 0.00 0.00 179.24 177.92 1npq h MET 28 N -0.42 0.00 0.02 0.28 2.86 -1.67 -3.09 114.93 112.91 1npq h MET 28 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1npq h MET 28 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1npq h MET 28 CO 0.03 0.00 -0.02 0.74 1.06 0.00 0.00 176.91 178.72 1npq h PHE 29 N 0.00 -0.05 -2.22 -0.22 0.04 0.66 -3.41 116.94 111.74 1npq h PHE 29 Ca 0.03 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.24 1npq h PHE 29 Cb 0.15 0.02 0.02 0.00 2.20 0.00 0.00 35.95 38.34 1npq h PHE 29 CO 0.00 -0.03 1.17 -0.25 -0.60 0.00 0.00 178.31 178.61 1npq n ASP 30 N -2.33 3.86 -0.10 2.17 8.00 -1.17 -4.79 116.55 122.19 1npq n ASP 30 Ca -0.01 0.93 -0.24 0.00 0.71 0.00 0.00 54.79 56.19 1npq n ASP 30 Cb 0.02 -1.46 -0.12 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 n ALA 31 N 7.10 0.94 -0.08 2.24 0.00 -1.26 -4.59 120.51 124.86 1npq n ALA 31 Ca 0.21 -0.70 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 1npq n ALA 31 Cb 0.36 -0.37 -0.16 0.00 0.00 0.00 0.00 19.45 19.28 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 -4.18 0.16 -0.55 0.00 5.75 -1.26 -5.01 116.55 111.45 1npq n ASP 32 Ca -0.39 0.08 -0.02 0.00 -0.01 0.00 0.00 54.79 54.45 1npq n ASP 32 Cb 0.81 0.86 0.00 0.00 -1.03 0.00 0.00 41.12 41.76 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 1.69 0.60 0.89 6.12 0.00 -1.26 -4.93 105.19 108.30 1npq n GLY 33 Ca -0.28 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.79 0.20 0.81 -0.02 0.00 -1.26 -4.98 105.19 99.15 1npq n GLY 34 Ca -0.01 -0.00 -0.05 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 -0.04 0.47 3.94 -0.02 0.00 -1.26 -5.16 105.19 103.13 1npq n GLY 35 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.68 -4.68 1.61 8.00 -1.26 -4.63 116.55 109.92 1npq n ASP 36 Ca -0.18 0.63 -0.41 0.00 0.71 0.00 0.00 54.79 55.54 1npq n ASP 36 Cb 0.59 -1.83 -0.05 0.00 -0.02 0.00 0.00 41.12 39.81 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 -1.02 4.97 0.00 0.53 1.01 -1.08 -4.76 121.20 120.85 1npq s ILE 37 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1npq s ILE 37 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1npq s ILE 37 CO 0.00 0.11 0.00 -1.54 0.00 0.00 0.00 174.94 173.51 1npq n SER 38 N 4.84 0.00 0.12 3.58 3.41 -1.26 -1.22 113.62 123.09 1npq n SER 38 Ca 0.01 -0.32 -0.11 0.00 -0.26 0.00 0.00 58.87 58.19 1npq n SER 38 Cb 0.50 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.07 0.63 -0.40 6.66 1.35 -1.96 -3.20 112.91 115.93 1npq h THR 39 Ca 0.00 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 1npq h THR 39 Cb 0.00 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.41 1npq h THR 39 CO 0.00 0.14 0.20 0.50 -0.25 0.00 0.00 175.52 176.12 1npq h LYS 40 N -0.89 0.54 -0.20 4.72 3.11 -1.98 -1.74 116.57 120.14 1npq h LYS 40 Ca -0.04 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 57.81 1npq h LYS 40 Cb 0.51 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1npq h LYS 40 CO 0.06 0.41 0.16 0.93 -2.81 0.00 0.00 179.45 178.20 1npq h GLU 41 N 0.55 0.00 0.11 1.90 5.08 -1.86 -2.56 114.58 117.79 1npq h GLU 41 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1npq h GLU 41 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1npq h GLU 41 CO -0.02 0.00 -0.05 1.25 -1.00 0.00 0.00 179.01 179.19 1npq h LEU 42 N 0.00 -0.12 -1.85 1.33 7.12 -1.31 -3.31 115.31 117.17 1npq h LEU 42 Ca 0.10 -0.11 0.30 0.00 0.13 0.00 0.00 57.88 58.30 1npq h LEU 42 Cb 0.41 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 1npq h LEU 42 CO -0.00 0.41 0.86 1.23 -0.13 0.00 0.00 178.44 180.81 1npq h GLY 43 N -1.02 0.00 0.00 3.75 0.00 -1.43 -0.64 103.07 103.73 1npq h GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1npq h GLY 43 CO 0.02 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.97 1npq n THR 44 N -3.91 0.00 0.26 4.70 -1.04 -0.98 0.10 114.28 113.41 1npq n THR 44 Ca 0.22 1.09 0.10 0.00 -2.04 0.00 0.00 64.05 63.43 1npq n THR 44 Cb 1.21 -2.01 0.70 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.80 0.00 12.58 3.04 -1.65 -1.15 116.25 129.88 1npq h VAL 45 Ca 0.00 -0.30 -0.14 0.00 -1.01 0.00 0.00 66.70 65.25 1npq h VAL 45 Cb 0.00 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 1npq h VAL 45 CO 0.00 0.08 -0.66 0.24 -1.01 0.00 0.00 177.57 176.21 1npq h MET 46 N 0.00 0.00 0.00 4.17 2.07 -1.11 -2.76 114.93 117.29 1npq h MET 46 Ca -0.00 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.44 1npq h MET 46 Cb 0.17 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 1npq h MET 46 CO 0.01 0.66 -1.37 0.00 1.07 0.00 0.00 176.91 177.29 1npq h ARG 47 N 0.00 0.00 -0.50 1.72 3.08 0.43 0.17 114.38 119.27 1npq h ARG 47 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1npq h ARG 47 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1npq h ARG 47 CO 0.09 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 1npq n MET 48 N -2.97 2.18 -0.00 0.04 0.00 -0.51 -4.22 117.12 111.65 1npq n MET 48 Ca -0.10 -1.80 -0.00 0.00 0.00 0.00 0.00 57.70 55.80 1npq n MET 48 Cb 0.88 -1.40 -0.00 0.00 0.00 0.00 0.00 33.22 32.70 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 0.96 2.62 0.00 3.17 4.77 -1.05 -5.03 117.00 122.44 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 0.43 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1npq n LEU 49 CO 0.12 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1npq n GLY 50 N 3.43 1.09 3.73 -0.72 0.00 -1.17 -5.11 105.19 106.44 1npq n GLY 50 Ca -0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 1.75 -0.34 1.61 2.00 0.58 -4.95 119.66 120.32 1npq s GLN 51 Ca 0.00 1.17 0.15 0.00 -2.00 0.00 0.00 55.36 54.68 1npq s GLN 51 Cb 0.00 -1.84 0.43 0.00 0.80 0.00 0.00 33.01 32.40 1npq s GLN 51 CO 0.00 -2.00 1.01 -1.71 -0.50 0.00 0.00 175.29 172.09 1npq n ASN 52 N -3.76 0.66 -4.59 6.67 5.15 -1.26 -3.52 115.26 114.62 1npq n ASN 52 Ca 0.09 -2.72 -0.42 0.00 -0.60 0.00 0.00 54.58 50.93 1npq n ASN 52 Cb 0.53 -0.19 -0.02 0.00 -0.53 0.00 0.00 39.78 39.57 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 3.38 1.18 1.20 0.04 -1.26 -5.00 135.00 132.19 1npq s PRO 53 Ca 0.27 0.86 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 1npq s PRO 53 Cb 0.43 -4.11 0.29 0.00 0.04 0.00 0.00 34.50 31.15 1npq s PRO 53 CO 0.00 -1.81 0.64 0.25 0.04 0.00 0.00 177.00 176.13 1npq n THR 54 N 7.09 0.00 0.18 1.26 -2.24 -1.26 -4.47 114.28 114.84 1npq n THR 54 Ca 0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1npq n THR 54 Cb 0.48 -0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.54 -0.03 -0.78 1.63 -1.98 -1.98 116.57 112.89 1npq h LYS 55 Ca -0.29 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1npq h LYS 55 Cb 0.99 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1npq h LYS 55 CO 0.18 -0.36 -0.10 0.00 -3.45 0.00 0.00 179.45 175.71 1npq h GLU 57 N 0.04 -0.61 -0.05 0.00 4.22 -1.67 0.15 114.58 116.65 1npq h GLU 57 Ca 0.01 0.04 -0.19 0.00 0.08 0.00 0.00 59.36 59.30 1npq h GLU 57 Cb 0.21 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1npq h GLU 57 CO 0.01 -0.41 -0.78 -0.07 -2.18 0.00 0.00 179.01 175.58 1npq h LEU 58 N -0.63 0.47 -1.80 1.64 3.38 -1.20 -3.05 115.31 114.11 1npq h LEU 58 Ca -0.05 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1npq h LEU 58 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1npq h LEU 58 CO 0.06 1.08 -0.14 0.44 0.09 0.00 0.00 178.44 179.98 1npq h ASP 59 N 0.25 0.00 0.82 -0.43 3.32 -0.69 0.40 116.42 120.09 1npq h ASP 59 Ca -0.04 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.79 1npq h ASP 59 Cb 1.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 1npq h ASP 59 CO 0.13 0.14 -1.01 0.00 -1.72 0.00 0.00 179.24 176.79 1npq h ALA 60 N 1.86 0.37 0.00 3.45 0.00 -0.60 -3.04 119.26 121.30 1npq h ALA 60 Ca -0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 1npq h ALA 60 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1npq h ALA 60 CO 0.02 1.10 -0.16 0.82 0.00 0.00 0.00 179.25 181.03 1npq h ILE 61 N 0.03 0.54 -0.82 0.00 5.03 -1.37 -3.33 117.51 117.60 1npq h ILE 61 Ca -0.04 -1.44 0.20 0.00 -0.12 0.00 0.00 64.86 63.46 1npq h ILE 61 Cb 1.72 1.06 -0.13 0.00 -3.03 0.00 0.00 36.82 36.44 1npq h ILE 61 CO 0.14 0.18 0.14 0.40 -0.68 0.00 0.00 178.15 178.34 1npq h ILE 62 N -1.00 0.35 -0.22 -0.67 2.04 -1.09 1.19 117.51 118.10 1npq h ILE 62 Ca -0.02 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1npq h ILE 62 Cb 0.43 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1npq h ILE 62 CO -0.01 0.03 0.32 0.00 0.00 0.00 0.00 178.15 178.48 1npq n GLU 64 N -3.54 0.68 0.11 0.00 1.02 0.38 -4.26 120.64 115.04 1npq n GLU 64 Ca 0.03 0.16 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 1npq n GLU 64 Cb 0.44 -1.62 0.24 0.00 -0.02 0.00 0.00 31.44 30.47 1npq n GLU 64 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1npq h VAL 65 N 0.01 1.32 -3.64 2.62 -1.51 0.82 -3.41 116.25 112.47 1npq h VAL 65 Ca -0.47 -1.56 -0.59 0.00 -1.23 0.00 0.00 66.70 62.85 1npq h VAL 65 Cb 2.06 1.74 -0.10 0.00 -2.13 0.00 0.00 31.29 32.87 1npq h VAL 65 CO 0.02 0.46 0.63 -1.81 -1.23 0.00 0.00 177.57 175.64 1npq s ASP 66 N -6.89 6.54 0.22 4.19 1.11 0.62 -4.78 116.67 117.69 1npq s ASP 66 Ca -0.04 0.24 0.12 0.00 0.18 0.00 0.00 52.55 53.05 1npq s ASP 66 Cb 0.13 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 1npq s ASP 66 CO 0.76 -1.04 1.37 1.05 1.18 0.00 0.00 175.17 178.49 1npq h GLU 67 N 9.00 0.00 -0.64 8.23 -0.00 -1.89 -3.21 114.58 126.07 1npq h GLU 67 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.12 1npq h GLU 67 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 1npq h GLU 67 CO 1.03 0.66 0.00 -0.40 -0.00 0.00 0.00 179.01 180.31 1npq n ASP 68 N -3.26 4.73 -3.75 3.06 5.75 -1.26 -4.96 116.55 116.87 1npq n ASP 68 Ca 0.01 -2.52 -0.31 0.00 -0.01 0.00 0.00 54.79 51.96 1npq n ASP 68 Cb 0.81 -0.59 0.03 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.00 -0.84 0.01 6.12 0.00 -1.21 -4.90 105.19 105.36 1npq n GLY 69 Ca 0.25 0.39 0.03 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 -2.70 2.70 0.00 1.61 3.41 -1.26 -5.00 113.62 112.38 1npq n SER 70 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1npq n SER 70 Cb 0.61 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 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 2.05 1.15 3.71 5.00 0.00 -1.26 -5.02 105.19 110.82 1npq n GLY 71 Ca -0.05 0.00 -0.24 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 -3.69 3.88 -0.21 2.61 -4.23 -1.26 -4.40 115.64 108.34 1npq s THR 72 Ca 0.00 -1.55 -0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1npq s THR 72 Cb 0.00 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1npq s THR 72 CO 0.00 -0.26 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.13 1npq s ILE 73 N -2.03 3.27 0.00 2.99 1.01 -0.35 -4.66 121.20 121.43 1npq s ILE 73 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1npq s ILE 73 Cb -0.08 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1npq s ILE 73 CO 0.21 0.44 0.00 -0.67 0.00 0.00 0.00 174.94 174.92 1npq n ASP 74 N 4.68 -0.12 0.00 3.58 2.03 -1.26 -2.65 116.55 122.80 1npq n ASP 74 Ca -0.18 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.25 1npq n ASP 74 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -1.94 0.00 0.20 -0.67 3.72 -1.26 -2.80 117.46 114.71 1npq n PHE 75 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1npq n PHE 75 Cb 0.00 -0.49 0.43 0.00 -0.94 0.00 0.00 39.48 38.48 1npq n PHE 75 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1npq h GLU 76 N 0.00 0.00 -0.75 -1.08 5.08 -1.95 -2.84 114.58 113.04 1npq h GLU 76 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1npq h GLU 76 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1npq h GLU 76 CO 0.00 0.32 0.50 0.93 -1.00 0.00 0.00 179.01 179.76 1npq h GLU 77 N 0.00 0.33 0.00 2.33 5.08 -1.86 0.36 114.58 120.83 1npq h GLU 77 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1npq h GLU 77 Cb 0.61 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1npq h GLU 77 CO 0.04 0.22 0.00 0.35 -1.00 0.00 0.00 179.01 178.62 1npq h PHE 78 N 0.34 0.00 0.07 4.33 3.04 -1.33 0.13 116.94 123.52 1npq h PHE 78 Ca 0.37 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.96 1npq h PHE 78 Cb 0.94 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.41 1npq h PHE 78 CO -0.00 0.00 -2.01 1.28 -2.02 0.00 0.00 178.31 175.56 1npq n LEU 79 N -2.36 2.51 -0.31 0.59 4.32 0.13 -4.26 117.00 117.62 1npq n LEU 79 Ca -0.01 0.19 -0.05 0.00 -0.02 0.00 0.00 56.01 56.12 1npq n LEU 79 Cb 0.09 -1.03 0.08 0.00 -1.62 0.00 0.00 43.42 40.94 1npq n LEU 79 CO 0.13 0.74 1.10 0.58 -1.22 0.00 0.00 177.39 178.73 1npq h VAL 80 N -0.23 1.26 -0.96 4.08 2.07 -1.10 0.50 116.25 121.87 1npq h VAL 80 Ca -0.47 -0.75 0.26 0.00 0.82 0.00 0.00 66.70 66.57 1npq h VAL 80 Cb 1.84 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 31.67 1npq h VAL 80 CO -0.05 0.32 0.50 0.00 0.02 0.00 0.00 177.57 178.36 1npq h MET 81 N 1.20 0.41 0.04 1.57 -0.00 -1.18 0.39 114.93 117.37 1npq h MET 81 Ca 0.29 -0.02 -0.29 0.00 -0.00 0.00 0.00 59.70 59.67 1npq h MET 81 Cb 0.14 -0.09 -0.04 0.00 -0.00 0.00 0.00 31.60 31.61 1npq h MET 81 CO -0.03 0.27 -1.60 1.98 -0.00 0.00 0.00 176.91 177.52 1npq h MET 82 N 0.42 0.08 -0.41 -0.10 -1.53 -1.62 -3.34 114.93 108.41 1npq h MET 82 Ca 0.64 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.76 1npq h MET 82 Cb 1.31 0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 32.39 1npq h MET 82 CO -0.55 0.77 0.20 0.28 0.14 0.00 0.00 176.91 177.75 1npq h VAL 83 N 0.02 1.14 0.00 -5.77 2.07 0.16 0.93 116.25 114.80 1npq h VAL 83 Ca -0.25 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1npq h VAL 83 Cb 1.98 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1npq h VAL 83 CO 0.10 0.16 0.00 0.03 0.02 0.00 0.00 177.57 177.89 1npq h ARG 84 N 0.58 0.00 0.00 1.57 3.08 -0.50 -2.37 114.38 116.73 1npq h ARG 84 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1npq h ARG 84 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1npq h ARG 84 CO -0.02 0.00 -1.61 1.04 -1.07 0.00 0.00 179.97 178.31 1npq n GLN 85 N -2.62 0.69 -0.03 0.04 1.13 -0.36 -3.95 117.38 112.28 1npq n GLN 85 Ca 0.02 -0.09 -0.08 0.00 -1.94 0.00 0.00 57.00 54.91 1npq n GLN 85 Cb 0.32 -1.30 -0.07 0.00 0.11 0.00 0.00 30.24 29.31 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 -0.06 -0.16 -1.09 2.86 0.88 -3.36 114.93 114.01 1npq h MET 86 Ca -0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1npq h MET 86 Cb 0.78 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1npq h MET 86 CO 0.00 0.41 -0.49 0.87 1.06 0.00 0.00 176.91 178.76 1npq h LYS 87 N -0.97 0.41 -6.45 1.72 6.56 -1.65 -3.45 116.57 112.75 1npq h LYS 87 Ca -0.01 -0.24 -0.42 0.00 -1.06 0.00 0.00 60.65 58.92 1npq h LYS 87 Cb 0.49 0.02 0.02 0.00 -0.57 0.00 0.00 32.23 32.19 1npq h LYS 87 CO 0.01 0.81 -0.26 -2.00 -2.06 0.00 0.00 179.45 175.95 1npq s GLU 88 N -4.04 2.86 0.03 3.15 2.56 -1.25 -5.11 118.70 116.90 1npq s GLU 88 Ca -0.06 -1.18 0.02 0.00 0.00 0.00 0.00 54.97 53.76 1npq s GLU 88 Cb 0.12 -2.75 -0.02 0.00 2.00 0.00 0.00 34.13 33.48 1npq s GLU 88 CO 0.81 -0.24 -0.07 0.16 -0.56 0.00 0.00 175.26 175.35 1npq s ASP 89 N -4.33 0.83 0.00 -1.70 -4.77 -1.26 -4.60 116.67 100.84 1npq s ASP 89 Ca 0.54 -0.47 0.19 0.00 -3.30 0.00 0.00 52.55 49.51 1npq s ASP 89 Cb -0.10 0.02 0.15 0.00 -1.09 0.00 0.00 42.92 41.90 1npq s ASP 89 CO 0.33 -0.16 1.11 0.00 0.70 0.00 0.00 175.17 177.16