#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 -0.08 0.00 0.00 0.15 -1.26 -5.09 113.70 107.42 1npq s SER 2 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1npq s SER 2 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1npq s SER 2 CO 0.00 -1.07 0.00 1.15 1.20 0.00 0.00 173.24 174.52 1npq n MET 3 N -0.57 0.00 -3.22 5.44 -0.00 -1.26 -5.13 117.12 112.38 1npq n MET 3 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.68 1npq n MET 3 Cb 0.60 -0.02 -0.04 0.00 -0.00 0.00 0.00 33.22 33.76 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 -1.85 -0.15 -1.30 3.17 -1.32 -1.26 -5.03 115.64 107.89 1npq s THR 4 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 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 0.91 -0.90 -2.21 0.00 0.00 174.62 172.42 1npq n ASP 5 N 4.64 2.06 -0.09 8.08 5.68 -1.26 -4.59 116.55 131.08 1npq n ASP 5 Ca -0.07 -1.54 0.23 0.00 -0.50 0.00 0.00 54.79 52.92 1npq n ASP 5 Cb 0.55 -0.03 0.69 0.00 -1.14 0.00 0.00 41.12 41.18 1npq n ASP 5 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1npq h GLN 6 N 2.13 0.04 0.00 0.11 3.07 -2.00 0.54 115.11 119.00 1npq h GLN 6 Ca 0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1npq h GLN 6 Cb 0.50 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1npq h GLN 6 CO 0.00 0.03 -0.23 1.96 0.09 0.00 0.00 178.83 180.68 1npq h GLN 7 N 0.04 0.00 0.01 0.06 7.50 -1.88 -2.38 115.11 118.46 1npq h GLN 7 Ca 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.49 1npq h GLN 7 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 1npq h GLN 7 CO -0.02 0.23 -0.01 0.00 -1.50 0.00 0.00 178.83 177.53 1npq h ALA 8 N 1.77 -0.02 -0.80 3.87 0.00 -0.25 -3.28 119.26 120.55 1npq h ALA 8 Ca -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1npq h ALA 8 Cb 0.79 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1npq h ALA 8 CO 0.03 -0.05 0.48 0.93 0.00 0.00 0.00 179.25 180.64 1npq h GLU 9 N -0.93 0.86 -0.67 0.00 5.08 -1.46 -2.76 114.58 114.69 1npq h GLU 9 Ca -0.00 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1npq h GLU 9 Cb 0.79 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 1npq h GLU 9 CO 0.00 0.57 -0.56 0.00 -1.00 0.00 0.00 179.01 178.02 1npq h ALA 10 N 1.38 -0.65 -0.41 3.43 0.00 -1.53 2.01 119.26 123.50 1npq h ALA 10 Ca 0.35 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.44 1npq h ALA 10 Cb 0.17 1.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1npq h ALA 10 CO -0.17 -1.00 0.41 -0.09 0.00 0.00 0.00 179.25 178.39 1npq h ARG 11 N -0.22 0.00 0.00 0.00 2.43 -1.55 0.38 114.38 115.42 1npq h ARG 11 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1npq h ARG 11 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1npq h ARG 11 CO -0.75 0.00 -1.41 0.00 -1.51 0.00 0.00 179.97 176.30 1npq n ALA 12 N -2.40 2.78 0.14 2.80 0.00 0.29 -4.25 120.51 119.86 1npq n ALA 12 Ca 0.07 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1npq n ALA 12 Cb 0.59 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 0.88 -3.41 0.00 0.04 0.68 -3.46 116.94 111.67 1npq h PHE 13 Ca 0.00 -0.64 -0.50 0.00 2.80 0.00 0.00 57.97 59.63 1npq h PHE 13 Cb 0.96 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 39.08 1npq h PHE 13 CO 0.00 1.49 0.00 -0.51 -0.60 0.00 0.00 178.31 178.70 1npq s LEU 14 N -7.51 3.86 0.58 1.54 1.43 -0.21 -5.06 118.68 113.31 1npq s LEU 14 Ca -0.08 0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 1npq s LEU 14 Cb 0.05 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1npq s LEU 14 CO 0.93 -0.38 1.04 -0.44 0.23 0.00 0.00 176.35 177.74 1npq s SER 15 N -3.52 5.95 0.56 2.29 0.01 -1.26 -4.88 113.70 112.85 1npq s SER 15 Ca 0.47 1.76 0.32 0.00 1.31 0.00 0.00 55.95 59.81 1npq s SER 15 Cb -0.10 -2.53 1.46 0.00 0.21 0.00 0.00 66.02 65.06 1npq s SER 15 CO 0.35 -1.05 1.82 -0.33 0.41 0.00 0.00 173.24 174.44 1npq h GLU 16 N 0.50 0.00 -0.26 12.44 5.08 -1.98 0.28 114.58 130.64 1npq h GLU 16 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1npq h GLU 16 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1npq h GLU 16 CO 0.58 0.00 0.15 0.93 -1.00 0.00 0.00 179.01 179.67 1npq h GLU 17 N 0.00 0.36 0.00 2.33 3.07 -2.00 -0.58 114.58 117.77 1npq h GLU 17 Ca 0.41 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 1npq h GLU 17 Cb 1.84 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.66 1npq h GLU 17 CO -0.00 0.32 -0.29 1.98 -1.40 0.00 0.00 179.01 179.61 1npq h MET 18 N 0.31 0.00 0.41 2.33 4.05 -0.81 -2.83 114.93 118.39 1npq h MET 18 Ca 0.09 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1npq h MET 18 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1npq h MET 18 CO -0.02 0.29 -0.20 0.82 0.23 0.00 0.00 176.91 178.04 1npq h ILE 19 N 0.00 0.00 -0.94 1.77 2.04 -0.99 0.19 117.51 119.58 1npq h ILE 19 Ca -0.00 -0.52 0.27 0.00 1.00 0.00 0.00 64.86 65.61 1npq h ILE 19 Cb 0.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1npq h ILE 19 CO 0.04 0.00 0.79 0.00 0.00 0.00 0.00 178.15 178.98 1npq h ALA 20 N -1.23 2.81 0.03 1.87 0.00 -1.13 0.98 119.26 122.58 1npq h ALA 20 Ca -0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 1npq h ALA 20 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1npq h ALA 20 CO 0.09 -1.28 -1.62 0.93 0.00 0.00 0.00 179.25 177.38 1npq h GLU 21 N 0.00 0.06 -0.58 0.00 4.39 -1.47 -3.31 114.58 113.67 1npq h GLU 21 Ca 0.45 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 60.08 1npq h GLU 21 Cb 2.03 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.68 1npq h GLU 21 CO -0.00 0.73 0.38 0.74 -1.16 0.00 0.00 179.01 179.70 1npq h PHE 22 N 0.02 0.61 0.00 4.33 0.04 0.42 0.11 116.94 122.46 1npq h PHE 22 Ca -0.26 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1npq h PHE 22 Cb 1.98 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.93 1npq h PHE 22 CO 0.02 0.34 0.00 1.17 -0.60 0.00 0.00 178.31 179.24 1npq n LYS 23 N -4.47 0.15 0.00 1.51 0.00 -0.63 -4.05 118.16 110.67 1npq n LYS 23 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.52 1npq n LYS 23 Cb 0.18 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.53 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 -1.67 -0.10 1.57 3.14 0.00 0.37 -1.50 120.51 122.31 1npq n ALA 24 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1npq n ALA 24 Cb 0.38 0.33 0.77 0.00 0.00 0.00 0.00 19.45 20.93 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 -2.34 2.46 -0.00 0.00 0.00 -1.26 -3.79 120.51 115.58 1npq n ALA 25 Ca 0.00 -0.16 0.23 0.00 0.00 0.00 0.00 53.44 53.51 1npq n ALA 25 Cb 0.00 -1.44 0.71 0.00 0.00 0.00 0.00 19.45 18.72 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 0.10 0.00 3.04 -1.41 0.48 116.94 119.15 1npq h PHE 26 Ca 0.00 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.71 1npq h PHE 26 Cb 0.08 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 1npq h PHE 26 CO 0.00 0.00 -1.22 -0.44 -2.02 0.00 0.00 178.31 174.63 1npq h ASP 27 N 0.00 0.33 0.42 0.41 3.32 -1.70 -3.33 116.42 115.88 1npq h ASP 27 Ca 0.28 -0.85 -0.09 0.00 0.02 0.00 0.00 57.03 56.39 1npq h ASP 27 Cb 1.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1npq h ASP 27 CO -0.00 1.53 -0.44 0.24 -1.72 0.00 0.00 179.24 178.85 1npq h MET 28 N -0.42 0.02 0.00 3.56 2.86 -1.34 -3.33 114.93 116.27 1npq h MET 28 Ca -0.26 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1npq h MET 28 Cb 1.65 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.31 1npq h MET 28 CO 0.04 0.45 0.00 1.19 1.06 0.00 0.00 176.91 179.66 1npq n PHE 29 N -4.02 0.00 -1.67 -0.22 3.72 0.15 -4.60 117.46 110.82 1npq n PHE 29 Ca -0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.90 1npq n PHE 29 Cb 0.46 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.19 3.44 -0.10 4.37 8.00 -1.25 -4.75 116.55 125.08 1npq n ASP 30 Ca 0.00 0.93 -0.24 0.00 0.71 0.00 0.00 54.79 56.19 1npq n ASP 30 Cb 0.00 -1.38 -0.12 0.00 -0.02 0.00 0.00 41.12 39.61 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 6.96 1.02 -0.08 2.24 0.00 -1.26 -4.60 120.51 124.79 1npq n ALA 31 Ca 0.23 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1npq n ALA 31 Cb 0.30 -0.30 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -4.04 0.10 -1.07 0.00 5.75 -1.26 -5.02 116.55 111.00 1npq n ASP 32 Ca -0.41 0.05 -0.03 0.00 -0.01 0.00 0.00 54.79 54.39 1npq n ASP 32 Cb 0.86 0.96 0.01 0.00 -1.03 0.00 0.00 41.12 41.91 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 0.59 0.83 6.12 0.00 -1.26 -4.96 105.19 108.20 1npq n GLY 33 Ca -0.29 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.83 0.44 0.77 -0.02 0.00 -1.26 -4.97 105.19 99.33 1npq n GLY 34 Ca -0.01 0.00 -0.04 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 0.00 0.34 7.00 -0.02 0.00 -1.26 -5.15 105.19 106.09 1npq n GLY 35 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.58 -4.72 1.61 8.00 -1.26 -4.60 116.55 112.99 1npq n ASP 36 Ca -0.17 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.95 1npq n ASP 36 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.00 5.18 0.00 0.53 1.01 -1.18 -4.78 121.20 121.97 1npq s ILE 37 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1npq s ILE 37 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1npq s ILE 37 CO 0.00 0.33 0.00 -0.24 0.00 0.00 0.00 174.94 175.03 1npq n SER 38 N 3.65 0.58 -0.08 3.58 2.88 -1.26 -1.37 113.62 121.59 1npq n SER 38 Ca -0.07 -0.42 -0.15 0.00 -1.33 0.00 0.00 58.87 56.90 1npq n SER 38 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.12 1.28 -0.18 2.46 1.35 -1.97 -3.15 112.91 112.82 1npq h THR 39 Ca 0.00 -1.70 -0.20 0.00 -0.55 0.00 0.00 66.41 63.96 1npq h THR 39 Cb 0.00 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1npq h THR 39 CO 0.00 0.56 -0.68 0.11 -0.25 0.00 0.00 175.52 175.25 1npq h LYS 40 N 0.65 0.72 -0.08 4.72 1.57 -1.98 -3.05 116.57 119.12 1npq h LYS 40 Ca 0.02 -0.53 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1npq h LYS 40 Cb 1.13 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1npq h LYS 40 CO 0.12 1.15 0.10 0.93 -0.57 0.00 0.00 179.45 181.18 1npq h GLU 41 N 0.52 0.00 0.00 3.15 5.08 -1.85 -2.36 114.58 119.11 1npq h GLU 41 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1npq h GLU 41 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1npq h GLU 41 CO 0.14 0.00 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.06 1npq h LEU 42 N 0.00 0.00 -2.00 1.33 -0.00 -1.49 -3.34 115.31 109.81 1npq h LEU 42 Ca 0.04 -0.03 0.29 0.00 -0.00 0.00 0.00 57.88 58.18 1npq h LEU 42 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 1npq h LEU 42 CO -0.00 0.52 0.73 1.23 -0.00 0.00 0.00 178.44 180.92 1npq h GLY 43 N -1.00 0.00 0.00 0.83 0.00 -1.46 -0.10 103.07 101.34 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 -4.23 0.00 0.26 4.70 -1.04 -0.90 0.52 114.28 113.58 1npq n THR 44 Ca 0.21 1.21 0.11 0.00 -2.04 0.00 0.00 64.05 63.54 1npq n THR 44 Cb 1.08 -2.14 0.71 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 0.78 0.01 12.58 3.04 -1.63 -0.08 116.25 130.95 1npq h VAL 45 Ca 0.00 -0.29 -0.19 0.00 -1.01 0.00 0.00 66.70 65.21 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 0.07 -0.88 0.24 -1.01 0.00 0.00 177.57 175.99 1npq h MET 46 N 0.00 0.11 0.00 4.17 2.07 -0.99 -2.82 114.93 117.47 1npq h MET 46 Ca -0.00 -0.13 -0.20 0.00 -2.07 0.00 0.00 59.70 57.30 1npq h MET 46 Cb 0.16 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.90 1npq h MET 46 CO 0.01 0.92 -1.30 0.00 1.07 0.00 0.00 176.91 177.61 1npq h ARG 47 N 0.06 0.00 -0.47 1.72 3.08 0.72 0.12 114.38 119.62 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 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1npq h ARG 47 CO 0.13 0.49 0.00 0.00 -1.07 0.00 0.00 179.97 179.51 1npq n MET 48 N -3.05 2.09 -0.00 0.04 0.00 -0.10 -4.18 117.12 111.91 1npq n MET 48 Ca -0.09 -1.68 -0.00 0.00 0.00 0.00 0.00 57.70 55.93 1npq n MET 48 Cb 0.90 -1.37 -0.00 0.00 0.00 0.00 0.00 33.22 32.75 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 0.86 2.73 0.00 3.17 4.77 -1.07 -5.02 117.00 122.45 1npq n LEU 49 Ca 0.16 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1npq n LEU 49 Cb 0.40 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1npq n LEU 49 CO 0.11 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1npq n GLY 50 N 3.42 1.30 3.74 -0.72 0.00 -1.16 -5.10 105.19 106.67 1npq n GLY 50 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 1.85 -0.38 1.61 2.00 0.42 -4.94 119.66 120.22 1npq s GLN 51 Ca 0.00 1.19 0.11 0.00 -2.00 0.00 0.00 55.36 54.66 1npq s GLN 51 Cb 0.00 -1.85 0.36 0.00 0.80 0.00 0.00 33.01 32.32 1npq s GLN 51 CO 0.00 -1.93 0.84 0.27 -0.50 0.00 0.00 175.29 173.97 1npq n ASN 52 N -3.72 0.24 -4.59 6.67 0.23 -1.26 -3.45 115.26 109.38 1npq n ASN 52 Ca 0.09 -3.09 -0.42 0.00 -0.53 0.00 0.00 54.58 50.63 1npq n ASN 52 Cb 0.53 -0.10 -0.02 0.00 -2.08 0.00 0.00 39.78 38.11 1npq n ASN 52 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1npq s PRO 53 N -1.94 3.41 1.30 -0.53 0.04 -1.26 -5.00 135.00 131.02 1npq s PRO 53 Ca 0.35 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 1npq s PRO 53 Cb 0.35 -4.10 0.31 0.00 0.04 0.00 0.00 34.50 31.10 1npq s PRO 53 CO -0.06 -1.78 0.70 0.25 0.04 0.00 0.00 177.00 176.15 1npq n THR 54 N 7.07 0.00 -0.26 1.26 -2.24 -1.26 -4.46 114.28 114.39 1npq n THR 54 Ca 0.16 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1npq n THR 54 Cb 0.48 -0.81 0.11 0.00 -2.10 0.00 0.00 70.33 68.01 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 -3.29 0.76 -0.01 -0.78 1.63 -1.99 -1.43 116.57 111.46 1npq h LYS 55 Ca -0.34 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.27 1npq h LYS 55 Cb 1.11 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1npq h LYS 55 CO 0.21 0.51 -0.63 0.00 -3.45 0.00 0.00 179.45 176.08 1npq h GLU 57 N 0.02 -1.05 -0.08 0.00 4.22 -1.55 0.35 114.58 116.49 1npq h GLU 57 Ca -0.01 0.07 -0.11 0.00 0.08 0.00 0.00 59.36 59.40 1npq h GLU 57 Cb 1.13 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1npq h GLU 57 CO 0.08 -0.70 -0.43 -0.07 -2.18 0.00 0.00 179.01 175.71 1npq h LEU 58 N -1.09 0.20 -1.86 1.64 3.38 -1.53 -2.57 115.31 113.49 1npq h LEU 58 Ca -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1npq h LEU 58 Cb 0.89 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1npq h LEU 58 CO 0.05 0.62 -0.06 0.44 0.09 0.00 0.00 178.44 179.58 1npq h ASP 59 N 0.16 0.00 0.73 -0.43 5.19 -1.11 0.69 116.42 121.64 1npq h ASP 59 Ca 0.01 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.17 1npq h ASP 59 Cb 0.84 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.32 1npq h ASP 59 CO 0.07 0.06 -1.30 0.00 -3.12 0.00 0.00 179.24 174.95 1npq h ALA 60 N 1.94 0.40 0.00 3.45 0.00 -0.51 -3.20 119.26 121.34 1npq h ALA 60 Ca -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 1npq h ALA 60 Cb 0.39 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1npq h ALA 60 CO 0.01 1.27 -0.15 0.82 0.00 0.00 0.00 179.25 181.20 1npq h ILE 61 N 0.02 0.29 -0.88 0.00 5.03 -1.33 -3.24 117.51 117.40 1npq h ILE 61 Ca -0.14 -1.24 0.24 0.00 -0.12 0.00 0.00 64.86 63.60 1npq h ILE 61 Cb 1.90 0.57 -0.14 0.00 -3.03 0.00 0.00 36.82 36.12 1npq h ILE 61 CO 0.13 0.10 0.24 0.40 -0.68 0.00 0.00 178.15 178.34 1npq h ILE 62 N -1.00 0.30 -1.00 -0.67 2.04 -1.06 0.94 117.51 117.07 1npq h ILE 62 Ca -0.02 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1npq h ILE 62 Cb 0.29 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1npq h ILE 62 CO -0.01 0.04 0.66 0.00 0.00 0.00 0.00 178.15 178.83 1npq h GLU 64 N 1.32 0.22 0.38 0.00 3.07 0.16 -3.32 114.58 116.41 1npq h GLU 64 Ca 0.38 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 1npq h GLU 64 Cb -0.10 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1npq h GLU 64 CO -0.09 1.01 -0.18 0.28 -1.40 0.00 0.00 179.01 178.63 1npq h VAL 65 N 0.11 0.54 -2.62 3.13 2.07 0.14 -3.42 116.25 116.20 1npq h VAL 65 Ca -0.06 -0.55 -0.55 0.00 0.82 0.00 0.00 66.70 66.36 1npq h VAL 65 Cb 1.60 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1npq h VAL 65 CO 0.15 0.09 1.09 -1.81 0.02 0.00 0.00 177.57 177.11 1npq s ASP 66 N -4.97 6.63 -0.39 0.57 1.11 0.12 -4.88 116.67 114.86 1npq s ASP 66 Ca -0.14 2.15 0.06 0.00 0.18 0.00 0.00 52.55 54.80 1npq s ASP 66 Cb 0.02 -2.53 0.64 0.00 1.07 0.00 0.00 42.92 42.12 1npq s ASP 66 CO 0.51 -0.97 1.79 -0.62 1.18 0.00 0.00 175.17 177.06 1npq n GLU 67 N 7.19 2.42 -0.86 8.23 -0.58 -1.26 -4.26 120.64 131.53 1npq n GLU 67 Ca 0.17 -3.06 -0.03 0.00 -0.42 0.00 0.00 57.16 53.83 1npq n GLU 67 Cb 0.43 -2.10 -0.03 0.00 -0.57 0.00 0.00 31.44 29.17 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 -0.97 -0.36 -3.88 1.62 5.75 -1.26 -5.03 116.55 112.43 1npq n ASP 68 Ca 0.50 -1.68 -0.30 0.00 -0.01 0.00 0.00 54.79 53.29 1npq n ASP 68 Cb 1.47 0.09 0.01 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 0.06 -0.58 0.01 6.12 0.00 -1.26 -4.88 105.19 104.66 1npq n GLY 69 Ca -0.13 0.29 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.77 4.18 -0.10 1.61 3.41 -1.26 -5.00 113.62 113.69 1npq n SER 70 Ca -0.21 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.39 1npq n SER 70 Cb 0.64 0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 65.43 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 2.57 0.34 3.54 5.00 0.00 -1.26 -4.98 105.19 110.39 1npq n GLY 71 Ca -0.03 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.54 3.46 -0.57 2.61 -4.23 -1.26 -4.43 115.64 109.68 1npq s THR 72 Ca 0.00 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 59.83 1npq s THR 72 Cb 0.00 -2.40 0.15 0.00 1.34 0.00 0.00 72.50 71.59 1npq s THR 72 CO 0.00 0.58 0.46 -0.63 -0.54 0.00 0.00 174.62 174.49 1npq s ILE 73 N -0.79 4.48 1.04 2.99 1.01 -0.47 -4.70 121.20 124.76 1npq s ILE 73 Ca 0.12 -2.08 -0.14 0.00 0.00 0.00 0.00 60.65 58.54 1npq s ILE 73 Cb -0.11 -3.90 0.23 0.00 0.01 0.00 0.00 42.46 38.69 1npq s ILE 73 CO 0.01 -0.85 0.51 -0.67 0.00 0.00 0.00 174.94 173.94 1npq n ASP 74 N 4.53 -3.24 0.00 3.58 -0.08 -1.26 -3.08 116.55 117.01 1npq n ASP 74 Ca -0.02 -0.51 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 1npq n ASP 74 Cb 0.41 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 -4.64 0.00 0.27 -0.67 3.01 -1.26 -2.63 117.46 111.53 1npq n PHE 75 Ca 0.08 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.64 1npq n PHE 75 Cb 0.35 -0.13 0.71 0.00 -0.01 0.00 0.00 39.48 40.40 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 -0.27 -1.08 3.07 -1.91 -2.14 114.58 112.25 1npq h GLU 76 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1npq h GLU 76 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1npq h GLU 76 CO 0.00 0.05 0.42 0.93 -1.40 0.00 0.00 179.01 179.00 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.79 0.45 114.58 120.65 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 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1npq h GLU 77 CO 0.01 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.36 1npq n PHE 78 N -3.43 0.86 -0.11 4.33 7.35 -0.80 -1.70 117.46 123.96 1npq n PHE 78 Ca 0.04 0.31 -0.25 0.00 -0.76 0.00 0.00 57.45 56.79 1npq n PHE 78 Cb 0.55 -1.01 -0.11 0.00 0.35 0.00 0.00 39.48 39.26 1npq n PHE 78 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1npq n LEU 79 N -2.26 2.07 -0.10 -2.13 4.32 0.16 -4.32 117.00 114.73 1npq n LEU 79 Ca 0.03 0.32 0.06 0.00 -0.02 0.00 0.00 56.01 56.39 1npq n LEU 79 Cb 0.28 -0.91 0.39 0.00 -1.62 0.00 0.00 43.42 41.57 1npq n LEU 79 CO 0.23 0.52 1.19 1.62 -1.22 0.00 0.00 177.39 179.73 1npq h VAL 80 N -0.83 1.06 -0.94 4.08 3.04 -1.50 -1.67 116.25 119.49 1npq h VAL 80 Ca -0.54 -0.22 0.23 0.00 -1.01 0.00 0.00 66.70 65.16 1npq h VAL 80 Cb 1.56 0.35 -0.13 0.00 -2.01 0.00 0.00 31.29 31.06 1npq h VAL 80 CO -0.28 0.12 0.48 0.00 -1.01 0.00 0.00 177.57 176.88 1npq h MET 81 N 0.65 0.46 0.06 4.17 -0.00 -1.52 0.11 114.93 118.87 1npq h MET 81 Ca 0.24 -0.03 -0.28 0.00 -0.00 0.00 0.00 59.70 59.63 1npq h MET 81 Cb 0.12 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 31.60 1npq h MET 81 CO -0.06 0.30 -1.48 0.52 -0.00 0.00 0.00 176.91 176.19 1npq h MET 82 N 0.47 0.12 -0.33 -0.10 2.07 -1.56 -3.31 114.93 112.30 1npq h MET 82 Ca 0.60 -0.21 0.08 0.00 -2.07 0.00 0.00 59.70 58.10 1npq h MET 82 Cb 1.15 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.94 1npq h MET 82 CO -0.51 0.91 0.23 0.28 1.07 0.00 0.00 176.91 178.90 1npq h VAL 83 N 0.03 0.88 0.00 -2.22 2.07 0.02 1.30 116.25 118.33 1npq h VAL 83 Ca -0.21 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1npq h VAL 83 Cb 1.96 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1npq h VAL 83 CO 0.13 0.01 -0.38 0.03 0.02 0.00 0.00 177.57 177.38 1npq h ARG 84 N 0.08 0.00 -0.05 1.57 3.08 -1.23 -2.07 114.38 115.76 1npq h ARG 84 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1npq h ARG 84 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1npq h ARG 84 CO -0.01 0.07 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 1npq n GLN 85 N -2.99 0.56 -0.01 0.04 1.13 -0.15 -4.29 117.38 111.66 1npq n GLN 85 Ca 0.02 -1.13 -0.00 0.00 -1.94 0.00 0.00 57.00 53.94 1npq n GLN 85 Cb 0.57 -1.17 -0.03 0.00 0.11 0.00 0.00 30.24 29.72 1npq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1npq n MET 86 N 0.45 2.25 -3.83 -1.09 0.00 0.43 -4.91 117.12 110.42 1npq n MET 86 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 57.70 57.39 1npq n MET 86 Cb 0.24 -1.09 -0.12 0.00 0.00 0.00 0.00 33.22 32.25 1npq n MET 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1npq s LYS 87 N -2.15 1.97 1.83 3.17 3.01 -0.78 -5.03 119.74 121.77 1npq s LYS 87 Ca -0.02 -1.98 0.00 0.00 -1.01 0.00 0.00 55.97 52.97 1npq s LYS 87 Cb 0.02 -3.52 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 1npq s LYS 87 CO 0.15 -1.06 0.00 -1.91 0.51 0.00 0.00 175.35 173.03 1npq n GLU 88 N 4.29 -0.20 -4.10 1.68 2.13 -1.26 -4.73 120.64 118.45 1npq n GLU 88 Ca 0.01 0.13 -0.22 0.00 0.66 0.00 0.00 57.16 57.73 1npq n GLU 88 Cb 0.40 -0.24 -0.04 0.00 0.27 0.00 0.00 31.44 31.83 1npq n GLU 88 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1npq s ASP 89 N -4.21 5.56 0.00 4.31 1.01 -1.26 -4.59 116.67 117.49 1npq s ASP 89 Ca 0.00 -0.22 0.27 0.00 0.71 0.00 0.00 52.55 53.31 1npq s ASP 89 Cb 0.00 -1.43 0.81 0.00 1.01 0.00 0.00 42.92 43.31 1npq s ASP 89 CO 0.00 -0.03 1.61 0.00 0.21 0.00 0.00 175.17 176.97