#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 4.28 0.00 0.00 0.15 -1.26 -5.05 113.70 111.82 1npq s SER 2 Ca 0.00 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1npq s SER 2 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1npq s SER 2 CO 0.00 -0.78 0.00 1.15 1.20 0.00 0.00 173.24 174.81 1npq n MET 3 N -1.33 0.00 -3.81 5.44 -0.00 -1.26 -5.09 117.12 111.06 1npq n MET 3 Ca -0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.33 1npq n MET 3 Cb 0.66 -0.02 -0.16 0.00 -0.00 0.00 0.00 33.22 33.69 1npq n MET 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1npq s THR 4 N -1.35 0.82 -2.36 3.17 -4.23 -1.26 -4.98 115.64 105.45 1npq s THR 4 Ca 0.00 -0.60 0.25 0.00 -1.18 0.00 0.00 61.69 60.16 1npq s THR 4 Cb 0.00 -1.16 0.53 0.00 1.34 0.00 0.00 72.50 73.21 1npq s THR 4 CO 0.00 -0.04 1.68 0.47 -0.54 0.00 0.00 174.62 176.19 1npq n ASP 5 N 4.96 1.45 -0.31 3.99 8.00 -1.26 -4.24 116.55 129.14 1npq n ASP 5 Ca -0.10 -1.57 0.12 0.00 0.71 0.00 0.00 54.79 53.96 1npq n ASP 5 Cb 0.47 -0.05 0.29 0.00 -0.02 0.00 0.00 41.12 41.82 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 2.09 0.44 -0.12 -1.24 3.07 -1.99 0.75 115.11 118.11 1npq h GLN 6 Ca 0.00 -0.03 0.04 0.00 0.09 0.00 0.00 58.65 58.75 1npq h GLN 6 Cb 0.45 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 27.91 1npq h GLN 6 CO 0.00 0.29 0.10 -0.56 0.09 0.00 0.00 178.83 178.75 1npq h GLN 7 N 0.45 0.00 0.00 0.06 3.07 -1.89 0.20 115.11 117.01 1npq h GLN 7 Ca 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.28 1npq h GLN 7 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.54 1npq h GLN 7 CO -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 178.83 178.42 1npq h ALA 8 N 1.92 0.00 -0.73 0.06 0.00 0.16 -3.27 119.26 117.41 1npq h ALA 8 Ca 0.06 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1npq h ALA 8 Cb 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1npq h ALA 8 CO -0.00 0.01 0.46 0.93 0.00 0.00 0.00 179.25 180.65 1npq h GLU 9 N -1.00 0.88 -0.56 0.00 5.08 -0.97 -2.79 114.58 115.22 1npq h GLU 9 Ca -0.00 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1npq h GLU 9 Cb 0.62 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 1npq h GLU 9 CO -0.00 0.58 -0.43 0.00 -1.00 0.00 0.00 179.01 178.16 1npq h ALA 10 N 1.30 -0.32 -0.21 3.43 0.00 -0.74 1.38 119.26 124.10 1npq h ALA 10 Ca 0.29 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1npq h ALA 10 Cb -0.00 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1npq h ALA 10 CO -0.10 -0.82 0.29 -0.09 0.00 0.00 0.00 179.25 178.52 1npq h ARG 11 N -0.23 0.00 0.00 0.00 2.43 -1.55 0.24 114.38 115.27 1npq h ARG 11 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1npq h ARG 11 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1npq h ARG 11 CO -0.68 0.00 -1.40 0.00 -1.51 0.00 0.00 179.97 176.38 1npq n ALA 12 N -2.25 3.37 0.20 2.80 0.00 0.29 -4.21 120.51 120.71 1npq n ALA 12 Ca 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 53.05 1npq n ALA 12 Cb 0.41 -0.86 0.41 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.06 0.00 3.57 0.49 -3.45 116.94 116.49 1npq h PHE 13 Ca 0.00 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.91 1npq h PHE 13 Cb 0.81 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.47 1npq h PHE 13 CO 0.00 0.34 -0.43 -0.51 -2.23 0.00 0.00 178.31 175.47 1npq s LEU 14 N -7.49 2.86 0.46 0.59 1.02 -1.16 -5.08 118.68 109.88 1npq s LEU 14 Ca -0.01 -1.22 -0.03 0.00 0.02 0.00 0.00 54.13 52.89 1npq s LEU 14 Cb 0.13 -1.27 -0.02 0.00 0.02 0.00 0.00 46.19 45.05 1npq s LEU 14 CO 0.68 -0.78 0.73 -0.55 0.02 0.00 0.00 176.35 176.46 1npq s SER 15 N -4.03 6.09 0.56 2.29 0.15 -1.26 -4.93 113.70 112.58 1npq s SER 15 Ca 0.33 0.68 0.31 0.00 0.70 0.00 0.00 55.95 57.98 1npq s SER 15 Cb 0.01 -1.99 1.46 0.00 -1.71 0.00 0.00 66.02 63.79 1npq s SER 15 CO 0.19 -0.62 1.83 -0.33 1.20 0.00 0.00 173.24 175.51 1npq h GLU 16 N 0.30 0.00 -0.29 5.44 4.39 -1.99 0.29 114.58 122.72 1npq h GLU 16 Ca -0.47 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1npq h GLU 16 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1npq h GLU 16 CO 0.61 0.00 0.17 0.93 -1.16 0.00 0.00 179.01 179.56 1npq h GLU 17 N 0.00 0.40 0.00 2.33 5.08 -1.99 0.63 114.58 121.02 1npq h GLU 17 Ca 0.38 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1npq h GLU 17 Cb 1.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1npq h GLU 17 CO -0.00 0.32 0.00 1.98 -1.00 0.00 0.00 179.01 180.31 1npq h MET 18 N 0.36 0.00 0.00 2.33 4.05 -0.82 -2.95 114.93 117.90 1npq h MET 18 Ca 0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1npq h MET 18 Cb 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1npq h MET 18 CO -0.02 0.00 -0.05 0.82 0.23 0.00 0.00 176.91 177.89 1npq h ILE 19 N 0.00 0.00 -0.72 1.77 2.04 -0.68 -1.13 117.51 118.78 1npq h ILE 19 Ca 0.00 -0.50 0.21 0.00 1.00 0.00 0.00 64.86 65.57 1npq h ILE 19 Cb 0.66 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1npq h ILE 19 CO 0.00 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.81 1npq h ALA 20 N -1.50 2.55 0.02 1.87 0.00 -1.02 0.95 119.26 122.13 1npq h ALA 20 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1npq h ALA 20 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1npq h ALA 20 CO 0.00 -1.03 -1.49 0.93 0.00 0.00 0.00 179.25 177.65 1npq h GLU 21 N 0.00 0.04 -0.59 0.00 5.08 -1.64 -3.29 114.58 114.18 1npq h GLU 21 Ca 0.34 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1npq h GLU 21 Cb 1.66 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 1npq h GLU 21 CO -0.00 0.75 0.35 0.74 -1.00 0.00 0.00 179.01 179.84 1npq h PHE 22 N 0.01 0.77 -0.00 4.33 0.04 0.22 -0.15 116.94 122.17 1npq h PHE 22 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1npq h PHE 22 Cb 1.94 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.84 1npq h PHE 22 CO 0.01 0.52 -0.02 1.17 -0.60 0.00 0.00 178.31 179.39 1npq n LYS 23 N -4.41 0.16 0.00 1.51 3.00 -0.64 -4.28 118.16 113.50 1npq n LYS 23 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1npq n LYS 23 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.61 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 -1.41 -0.07 1.39 3.14 0.00 -0.07 -1.30 120.51 122.19 1npq n ALA 24 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1npq n ALA 24 Cb 0.31 0.33 0.67 0.00 0.00 0.00 0.00 19.45 20.76 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 -2.16 2.33 -0.21 0.00 0.00 -1.26 -3.82 120.51 115.39 1npq n ALA 25 Ca 0.00 -0.14 0.31 0.00 0.00 0.00 0.00 53.44 53.61 1npq n ALA 25 Cb 0.00 -1.38 0.70 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.38 0.38 116.94 118.98 1npq h PHE 26 Ca 0.00 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 1npq h PHE 26 Cb 0.03 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1npq h PHE 26 CO 0.00 0.00 -0.73 0.38 -2.02 0.00 0.00 178.31 175.94 1npq h ASP 27 N 0.00 0.01 0.22 0.41 3.04 -1.73 -3.36 116.42 115.01 1npq h ASP 27 Ca 0.47 -0.72 -0.03 0.00 -3.24 0.00 0.00 57.03 53.50 1npq h ASP 27 Cb 2.12 -0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.40 1npq h ASP 27 CO -0.00 1.29 -0.15 -0.03 -2.04 0.00 0.00 179.24 178.30 1npq h MET 28 N -0.99 0.00 0.00 4.15 4.05 -1.43 -3.27 114.93 117.44 1npq h MET 28 Ca -0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1npq h MET 28 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1npq h MET 28 CO -0.12 0.15 0.00 1.19 0.23 0.00 0.00 176.91 178.37 1npq n PHE 29 N -4.11 0.00 -1.69 1.39 3.72 0.12 -4.60 117.46 112.29 1npq n PHE 29 Ca -0.02 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.83 1npq n PHE 29 Cb 0.23 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 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 -1.50 2.74 -0.10 4.37 8.00 -1.24 -4.78 116.55 124.04 1npq n ASP 30 Ca 0.00 1.01 -0.23 0.00 0.71 0.00 0.00 54.79 56.28 1npq n ASP 30 Cb 0.00 -1.22 -0.11 0.00 -0.02 0.00 0.00 41.12 39.77 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 6.02 0.89 0.04 2.24 0.00 -1.26 -4.46 120.51 123.98 1npq n ALA 31 Ca 0.26 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 1npq n ALA 31 Cb 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.89 0.00 -4.65 0.00 2.03 -1.96 -3.49 116.42 107.45 1npq h ASP 32 Ca -0.43 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.83 1npq h ASP 32 Cb 1.44 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.97 1npq h ASP 32 CO -0.23 0.61 -0.12 0.61 -1.03 0.00 0.00 179.24 179.09 1npq n GLY 33 N 1.39 -0.87 0.00 7.15 0.00 -1.26 -4.98 105.19 106.61 1npq n GLY 33 Ca -0.08 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.49 0.00 0.00 -0.02 0.00 -1.26 -5.11 105.19 97.31 1npq n GLY 34 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.04 2.31 -0.02 0.00 -1.26 -5.18 105.19 100.00 1npq n GLY 35 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.25 -4.73 1.61 8.00 -1.26 -4.94 116.55 113.97 1npq n ASP 36 Ca 0.00 -2.09 -0.39 0.00 0.71 0.00 0.00 54.79 53.02 1npq n ASP 36 Cb 0.00 2.15 -0.05 0.00 -0.02 0.00 0.00 41.12 43.20 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 -2.52 5.02 0.00 0.53 1.01 -0.99 -4.77 121.20 119.47 1npq s ILE 37 Ca 0.13 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1npq s ILE 37 Cb -0.02 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1npq s ILE 37 CO 0.10 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 175.10 1npq n SER 38 N 3.49 1.01 -0.03 3.58 2.88 -1.26 -0.87 113.62 122.42 1npq n SER 38 Ca -0.03 -0.48 -0.13 0.00 -1.33 0.00 0.00 58.87 56.90 1npq n SER 38 Cb 0.51 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.24 1.35 -0.05 2.46 1.35 -1.95 -2.90 112.91 113.40 1npq h THR 39 Ca 0.00 -1.10 -0.04 0.00 -0.55 0.00 0.00 66.41 64.72 1npq h THR 39 Cb 0.00 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1npq h THR 39 CO 0.00 0.30 -0.14 0.07 -0.25 0.00 0.00 175.52 175.50 1npq h LYS 40 N -0.29 0.08 0.00 4.72 2.10 -1.99 -1.80 116.57 119.40 1npq h LYS 40 Ca 0.01 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1npq h LYS 40 Cb 0.50 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1npq h LYS 40 CO 0.01 0.23 -0.25 0.93 -2.00 0.00 0.00 179.45 178.37 1npq h GLU 41 N 0.08 0.00 0.00 0.07 5.08 -1.84 -3.02 114.58 114.95 1npq h GLU 41 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1npq h GLU 41 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1npq h GLU 41 CO 0.02 0.25 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.15 1npq h LEU 42 N 0.00 0.00 -1.92 1.33 -0.00 -1.13 -3.34 115.31 110.25 1npq h LEU 42 Ca -0.00 -0.37 0.26 0.00 -0.00 0.00 0.00 57.88 57.77 1npq h LEU 42 Cb 0.69 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.31 1npq h LEU 42 CO 0.03 0.72 0.66 1.23 -0.00 0.00 0.00 178.44 181.08 1npq h GLY 43 N -1.00 0.14 0.00 0.83 0.00 -1.54 -0.32 103.07 101.18 1npq h GLY 43 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1npq h GLY 43 CO -0.01 -0.01 0.00 2.41 0.00 0.00 0.00 176.54 178.94 1npq n THR 44 N -4.30 0.00 0.22 4.70 -1.04 -1.14 0.39 114.28 113.11 1npq n THR 44 Ca 0.19 1.12 0.07 0.00 -2.04 0.00 0.00 64.05 63.40 1npq n THR 44 Cb 0.96 -2.04 0.60 0.00 -1.82 0.00 0.00 70.33 68.03 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 1.02 -0.07 12.58 3.04 -1.66 -0.88 116.25 130.28 1npq h VAL 45 Ca 0.00 -0.07 -0.18 0.00 -1.01 0.00 0.00 66.70 65.44 1npq h VAL 45 Cb 0.00 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 1npq h VAL 45 CO 0.00 0.03 -0.73 0.24 -1.01 0.00 0.00 177.57 176.10 1npq h MET 46 N 0.08 0.36 0.00 4.17 2.07 -1.05 -2.68 114.93 117.88 1npq h MET 46 Ca 0.02 -0.30 -0.16 0.00 -2.07 0.00 0.00 59.70 57.19 1npq h MET 46 Cb 0.01 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.78 1npq h MET 46 CO -0.00 0.94 -0.91 0.00 1.07 0.00 0.00 176.91 178.01 1npq h ARG 47 N 0.25 0.00 -0.53 1.72 3.08 0.56 0.11 114.38 119.56 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 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1npq h ARG 47 CO 0.12 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 1npq n MET 48 N -3.17 2.24 0.00 0.04 0.00 -0.39 -4.27 117.12 111.56 1npq n MET 48 Ca -0.02 -1.89 0.00 0.00 0.00 0.00 0.00 57.70 55.78 1npq n MET 48 Cb 0.83 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.63 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 1.03 2.10 0.00 3.17 4.77 -1.01 -5.02 117.00 122.03 1npq n LEU 49 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1npq n LEU 49 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1npq n LEU 49 CO 0.12 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1npq n GLY 50 N 3.27 0.81 3.72 -0.72 0.00 -1.07 -5.10 105.19 106.10 1npq n GLY 50 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 1.55 -0.35 1.61 1.11 0.34 -4.93 119.66 119.00 1npq s GLN 51 Ca 0.00 1.09 0.15 0.00 0.01 0.00 0.00 55.36 56.61 1npq s GLN 51 Cb 0.00 -1.82 0.42 0.00 -1.01 0.00 0.00 33.01 30.60 1npq s GLN 51 CO 0.00 -2.12 0.98 0.09 0.01 0.00 0.00 175.29 174.26 1npq n ASN 52 N -3.83 0.57 -4.59 5.90 4.13 -1.26 -3.21 115.26 112.97 1npq n ASN 52 Ca 0.08 -2.78 -0.42 0.00 1.68 0.00 0.00 54.58 53.14 1npq n ASN 52 Cb 0.54 -0.16 -0.02 0.00 -1.54 0.00 0.00 39.78 38.59 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1npq s PRO 53 N -2.26 3.49 0.94 3.52 0.04 -1.26 -5.01 135.00 134.46 1npq s PRO 53 Ca 0.29 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 1npq s PRO 53 Cb 0.42 -4.04 0.24 0.00 0.04 0.00 0.00 34.50 31.16 1npq s PRO 53 CO -0.01 -1.68 0.56 0.25 0.04 0.00 0.00 177.00 176.16 1npq n THR 54 N 6.93 0.00 0.09 1.26 -2.24 -1.26 -4.39 114.28 114.67 1npq n THR 54 Ca 0.14 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1npq n THR 54 Cb 0.49 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.34 -0.25 -0.78 1.63 -1.96 -1.55 116.57 113.33 1npq h LYS 55 Ca -0.25 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 1npq h LYS 55 Cb 0.85 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 1npq h LYS 55 CO 0.15 -0.22 0.04 0.00 -3.45 0.00 0.00 179.45 175.97 1npq h GLU 57 N 0.35 -1.19 -0.09 0.00 4.22 -1.62 -1.71 114.58 114.54 1npq h GLU 57 Ca 0.08 0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.55 1npq h GLU 57 Cb 0.17 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1npq h GLU 57 CO -0.00 -0.79 -0.21 -0.07 -2.18 0.00 0.00 179.01 175.75 1npq h LEU 58 N -1.23 0.15 -2.04 1.64 3.38 -1.22 -2.03 115.31 113.95 1npq h LEU 58 Ca -0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1npq h LEU 58 Cb 0.96 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1npq h LEU 58 CO 0.18 0.37 -0.09 -0.78 0.09 0.00 0.00 178.44 178.22 1npq h ASP 59 N 0.14 0.00 0.84 -0.43 1.82 -0.79 0.17 116.42 118.17 1npq h ASP 59 Ca 0.03 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.48 1npq h ASP 59 Cb 0.47 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 1npq h ASP 59 CO 0.03 0.09 -0.88 0.00 -1.61 0.00 0.00 179.24 176.87 1npq h ALA 60 N 1.91 0.54 0.00 -0.78 0.00 -0.55 -3.00 119.26 117.39 1npq h ALA 60 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1npq h ALA 60 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1npq h ALA 60 CO 0.01 1.08 -0.16 0.82 0.00 0.00 0.00 179.25 180.99 1npq h ILE 61 N 0.01 0.10 -0.95 0.00 5.03 -1.24 -3.27 117.51 117.20 1npq h ILE 61 Ca -0.01 -1.09 0.29 0.00 -0.12 0.00 0.00 64.86 63.93 1npq h ILE 61 Cb 1.56 0.20 -0.15 0.00 -3.03 0.00 0.00 36.82 35.39 1npq h ILE 61 CO 0.12 0.03 0.35 0.40 -0.68 0.00 0.00 178.15 178.37 1npq h ILE 62 N -1.00 0.23 -0.30 -0.67 2.04 -0.87 1.07 117.51 118.01 1npq h ILE 62 Ca -0.01 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1npq h ILE 62 Cb 0.21 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1npq h ILE 62 CO -0.00 0.03 0.11 0.00 0.00 0.00 0.00 178.15 178.29 1npq h GLU 64 N 0.24 0.23 0.15 0.00 4.39 -0.26 -3.23 114.58 116.11 1npq h GLU 64 Ca 0.13 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1npq h GLU 64 Cb 0.10 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1npq h GLU 64 CO -0.13 0.82 -0.07 0.28 -1.16 0.00 0.00 179.01 178.74 1npq h VAL 65 N 0.16 0.93 -2.95 3.13 2.07 0.17 -3.41 116.25 116.35 1npq h VAL 65 Ca -0.02 -0.35 -0.57 0.00 0.82 0.00 0.00 66.70 66.59 1npq h VAL 65 Cb 1.21 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1npq h VAL 65 CO 0.10 0.08 0.94 -1.81 0.02 0.00 0.00 177.57 176.91 1npq s ASP 66 N -5.16 6.82 0.10 0.57 1.11 0.20 -4.79 116.67 115.52 1npq s ASP 66 Ca -0.14 1.58 0.18 0.00 0.18 0.00 0.00 52.55 54.35 1npq s ASP 66 Cb 0.04 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.40 1npq s ASP 66 CO 0.64 -0.88 0.89 -1.84 1.18 0.00 0.00 175.17 175.15 1npq n GLU 67 N 6.89 0.62 -0.90 8.23 0.00 -1.26 -3.91 120.64 130.31 1npq n GLU 67 Ca 0.15 0.20 0.07 0.00 0.00 0.00 0.00 57.16 57.57 1npq n GLU 67 Cb 0.45 -1.82 0.41 0.00 0.00 0.00 0.00 31.44 30.48 1npq n GLU 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1npq n ASP 68 N -2.83 5.74 -3.75 -1.84 5.75 -1.26 -4.96 116.55 113.40 1npq n ASP 68 Ca -0.07 -2.93 -0.32 0.00 -0.01 0.00 0.00 54.79 51.46 1npq n ASP 68 Cb 0.76 -0.69 0.04 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.62 -0.89 0.01 6.12 0.00 -1.25 -4.90 105.19 104.90 1npq n GLY 69 Ca 0.28 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.66 3.49 0.00 1.61 3.41 -1.26 -5.00 113.62 113.20 1npq n SER 70 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1npq n SER 70 Cb 0.60 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 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 2.32 0.78 3.57 5.00 0.00 -1.26 -5.00 105.19 110.60 1npq n GLY 71 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.27 3.33 -0.24 2.61 -4.23 -1.26 -4.54 115.64 108.04 1npq s THR 72 Ca 0.00 -1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1npq s THR 72 Cb 0.00 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 1npq s THR 72 CO 0.00 0.08 0.04 -0.63 -0.54 0.00 0.00 174.62 173.57 1npq s ILE 73 N -1.28 4.12 0.10 2.99 1.01 -0.04 -4.71 121.20 123.38 1npq s ILE 73 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 1npq s ILE 73 Cb -0.11 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.48 1npq s ILE 73 CO 0.14 0.37 0.10 0.47 0.00 0.00 0.00 174.94 176.01 1npq n ASP 74 N 4.77 -0.85 0.00 3.58 8.00 -1.26 -2.36 116.55 128.43 1npq n ASP 74 Ca -0.17 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1npq n ASP 74 Cb 0.51 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1npq n ASP 74 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1npq n PHE 75 N -2.58 0.00 0.24 1.24 -0.00 -1.26 -3.28 117.46 111.82 1npq n PHE 75 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.57 1npq n PHE 75 Cb 0.05 -0.26 0.61 0.00 -0.00 0.00 0.00 39.48 39.87 1npq n PHE 75 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1npq h GLU 76 N 0.00 0.00 -0.46 -4.13 5.08 -1.95 -2.69 114.58 110.44 1npq h GLU 76 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1npq h GLU 76 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1npq h GLU 76 CO 0.00 0.18 0.48 0.93 -1.00 0.00 0.00 179.01 179.60 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.87 0.41 114.58 120.53 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 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 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 0.04 4.33 3.57 -1.46 -0.03 116.94 123.39 1npq h PHE 78 Ca 0.22 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.35 1npq h PHE 78 Cb 1.17 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 1npq h PHE 78 CO 0.00 0.00 -2.14 1.28 -2.23 0.00 0.00 178.31 175.22 1npq n LEU 79 N -2.31 2.48 -0.00 0.59 4.32 0.14 -4.29 117.00 117.93 1npq n LEU 79 Ca -0.00 0.16 0.01 0.00 -0.02 0.00 0.00 56.01 56.16 1npq n LEU 79 Cb 0.11 -0.97 0.33 0.00 -1.62 0.00 0.00 43.42 41.27 1npq n LEU 79 CO 0.14 0.73 1.00 0.58 -1.22 0.00 0.00 177.39 178.61 1npq h VAL 80 N -0.35 1.17 -0.94 4.08 2.07 -1.39 0.33 116.25 121.22 1npq h VAL 80 Ca -0.52 -0.63 0.20 0.00 0.82 0.00 0.00 66.70 66.57 1npq h VAL 80 Cb 1.78 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 32.26 1npq h VAL 80 CO -0.13 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.19 1npq h MET 81 N 0.52 0.57 0.00 1.57 -0.00 -1.20 0.50 114.93 116.89 1npq h MET 81 Ca 0.12 -0.03 -0.25 0.00 -0.00 0.00 0.00 59.70 59.53 1npq h MET 81 Cb 0.23 -0.13 -0.04 0.00 -0.00 0.00 0.00 31.60 31.65 1npq h MET 81 CO -0.00 0.38 -1.69 -1.33 -0.00 0.00 0.00 176.91 174.26 1npq n MET 82 N -4.90 0.63 -0.27 -0.10 2.00 -0.93 -4.00 117.12 109.56 1npq n MET 82 Ca 0.22 0.23 -0.04 0.00 0.00 0.00 0.00 57.70 58.11 1npq n MET 82 Cb 0.60 -1.76 0.07 0.00 0.00 0.00 0.00 33.22 32.13 1npq n MET 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1npq h VAL 83 N 0.00 1.17 0.00 2.03 2.07 0.53 0.17 116.25 122.22 1npq h VAL 83 Ca -0.27 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1npq h VAL 83 Cb 1.87 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1npq h VAL 83 CO 0.06 0.18 -0.15 0.03 0.02 0.00 0.00 177.57 177.71 1npq h ARG 84 N 1.00 0.00 -0.60 1.57 3.08 -1.12 -0.59 114.38 117.72 1npq h ARG 84 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1npq h ARG 84 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1npq h ARG 84 CO -0.07 0.15 0.00 1.04 -1.07 0.00 0.00 179.97 180.02 1npq n GLN 85 N -3.79 3.26 -0.02 0.04 1.13 -0.36 -4.36 117.38 113.27 1npq n GLN 85 Ca -0.02 -2.69 -0.03 0.00 -1.94 0.00 0.00 57.00 52.32 1npq n GLN 85 Cb 0.26 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 28.89 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 1.05 0.81 0.10 -1.09 2.81 0.44 -4.81 117.12 116.43 1npq n MET 86 Ca 0.23 0.02 -0.05 0.00 -1.81 0.00 0.00 57.70 56.09 1npq n MET 86 Cb 0.74 -1.10 -0.02 0.00 -0.71 0.00 0.00 33.22 32.13 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 -0.27 -6.80 0.03 1.57 -1.35 -3.42 116.57 106.33 1npq h LYS 87 Ca -0.11 0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 58.19 1npq h LYS 87 Cb 1.19 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1npq h LYS 87 CO -0.01 -0.18 0.45 -1.21 -0.57 0.00 0.00 179.45 177.93 1npq s GLU 88 N -3.69 4.68 0.00 3.15 2.02 -1.26 -4.92 118.70 118.68 1npq s GLU 88 Ca -0.04 1.75 0.02 0.00 0.02 0.00 0.00 54.97 56.72 1npq s GLU 88 Cb 0.01 -3.20 0.04 0.00 0.10 0.00 0.00 34.13 31.07 1npq s GLU 88 CO 0.14 0.27 0.98 -3.47 0.02 0.00 0.00 175.26 173.20 1npq n ASP 89 N 1.24 -0.75 0.00 -0.19 -0.08 -1.26 -4.90 116.55 110.61 1npq n ASP 89 Ca -0.01 -1.93 0.00 0.00 -1.51 0.00 0.00 54.79 51.34 1npq n ASP 89 Cb 0.45 0.22 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1npq n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32