#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 0.69 0.03 0.00 2.88 -1.26 -5.05 113.62 110.90 1npq n SER 2 Ca 0.00 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 1npq n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1npq n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1npq n MET 3 N -0.64 0.00 -3.68 -1.46 2.00 -1.26 -5.12 117.12 106.96 1npq n MET 3 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 1npq n MET 3 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.07 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 -1.74 -0.24 -2.00 2.03 -1.32 -1.26 -5.01 115.64 106.10 1npq s THR 4 Ca 0.00 0.31 0.31 0.00 -1.21 0.00 0.00 61.69 61.11 1npq s THR 4 Cb 0.00 -0.31 0.89 0.00 -1.51 0.00 0.00 72.50 71.58 1npq s THR 4 CO 0.00 0.13 2.20 0.47 -2.21 0.00 0.00 174.62 175.21 1npq n ASP 5 N 5.10 0.00 -0.24 8.08 8.00 -1.26 -3.84 116.55 132.39 1npq n ASP 5 Ca -0.09 -0.99 0.18 0.00 0.71 0.00 0.00 54.79 54.60 1npq n ASP 5 Cb 0.50 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.10 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 0.00 0.42 0.00 -1.24 3.07 -2.00 0.85 115.11 116.20 1npq h GLN 6 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1npq h GLN 6 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.47 1npq h GLN 6 CO 0.00 0.28 0.00 1.04 0.09 0.00 0.00 178.83 180.24 1npq n GLN 7 N -4.52 0.14 -0.10 0.06 6.02 -1.25 -2.50 117.38 115.23 1npq n GLN 7 Ca 0.19 0.34 -0.19 0.00 -0.01 0.00 0.00 57.00 57.33 1npq n GLN 7 Cb 0.68 -1.75 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 1npq n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1npq n ALA 8 N -1.69 0.75 -0.23 -1.58 0.00 0.29 -4.19 120.51 113.85 1npq n ALA 8 Ca 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.95 1npq n ALA 8 Cb 0.24 -0.44 0.09 0.00 0.00 0.00 0.00 19.45 19.34 1npq n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1npq h GLU 9 N -1.00 0.68 -0.74 0.00 5.08 -1.42 -2.91 114.58 114.28 1npq h GLU 9 Ca -0.31 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1npq h GLU 9 Cb 1.19 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 30.18 1npq h GLU 9 CO -0.19 0.45 -0.56 0.00 -1.00 0.00 0.00 179.01 177.72 1npq h ALA 10 N 1.34 -0.60 -0.55 3.43 0.00 -1.68 1.30 119.26 122.49 1npq h ALA 10 Ca 0.29 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.44 1npq h ALA 10 Cb 0.17 1.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1npq h ALA 10 CO -0.17 -0.98 0.53 0.00 0.00 0.00 0.00 179.25 178.62 1npq h ARG 11 N -0.17 0.00 0.00 0.00 3.08 -1.68 0.48 114.38 116.09 1npq h ARG 11 Ca 0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 1npq h ARG 11 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1npq h ARG 11 CO -0.79 0.00 -1.46 0.00 -1.07 0.00 0.00 179.97 176.65 1npq n ALA 12 N -2.43 2.31 0.25 0.04 0.00 0.30 -4.02 120.51 116.96 1npq n ALA 12 Ca 0.11 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.18 1npq n ALA 12 Cb 0.74 -0.91 0.63 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.15 0.00 0.04 0.62 -3.44 116.94 113.01 1npq h PHE 13 Ca -0.10 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.10 1npq h PHE 13 Cb 1.29 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.37 1npq h PHE 13 CO 0.00 0.17 -0.43 -0.51 -0.60 0.00 0.00 178.31 176.94 1npq s LEU 14 N -7.15 2.94 0.49 1.54 1.43 -1.03 -5.07 118.68 111.83 1npq s LEU 14 Ca -0.02 -1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1npq s LEU 14 Cb 0.12 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1npq s LEU 14 CO 0.61 -0.75 0.75 -0.55 0.23 0.00 0.00 176.35 176.63 1npq s SER 15 N -4.03 5.89 0.57 2.29 0.15 -1.26 -4.94 113.70 112.36 1npq s SER 15 Ca 0.36 0.55 0.31 0.00 0.70 0.00 0.00 55.95 57.87 1npq s SER 15 Cb 0.01 -1.77 1.45 0.00 -1.71 0.00 0.00 66.02 64.00 1npq s SER 15 CO 0.21 -0.75 1.82 -0.08 1.20 0.00 0.00 173.24 175.64 1npq h GLU 16 N 0.23 0.00 0.69 5.44 4.22 -1.98 -0.19 114.58 122.99 1npq h GLU 16 Ca -0.46 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 58.94 1npq h GLU 16 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1npq h GLU 16 CO 0.59 0.00 -0.33 0.93 -2.18 0.00 0.00 179.01 178.02 1npq h GLU 17 N 0.00 -0.89 -0.00 1.92 3.07 -1.99 0.15 114.58 116.84 1npq h GLU 17 Ca 0.37 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1npq h GLU 17 Cb 1.71 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 29.82 1npq h GLU 17 CO -0.00 -0.58 0.02 1.98 -1.40 0.00 0.00 179.01 179.03 1npq h MET 18 N -0.96 0.00 0.00 2.33 4.05 -1.41 -2.03 114.93 116.91 1npq h MET 18 Ca -0.09 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1npq h MET 18 Cb 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1npq h MET 18 CO 0.15 0.00 -0.09 0.82 0.23 0.00 0.00 176.91 178.02 1npq h ILE 19 N 0.00 0.00 -0.59 1.77 2.04 -1.06 -1.92 117.51 117.75 1npq h ILE 19 Ca 0.00 -0.55 0.17 0.00 1.00 0.00 0.00 64.86 65.48 1npq h ILE 19 Cb 0.04 0.00 -0.02 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 -1.45 2.36 0.01 1.87 0.00 -0.62 1.02 119.26 122.45 1npq h ALA 20 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1npq h ALA 20 Cb 0.09 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1npq h ALA 20 CO 0.00 -1.02 -1.71 0.93 0.00 0.00 0.00 179.25 177.45 1npq h GLU 21 N 0.00 0.03 -0.30 0.00 5.08 -1.50 -3.33 114.58 114.56 1npq h GLU 21 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1npq h GLU 21 Cb 1.70 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1npq h GLU 21 CO -0.00 0.58 0.14 0.35 -1.00 0.00 0.00 179.01 179.08 1npq h PHE 22 N 0.01 0.40 0.00 4.33 3.04 0.19 0.76 116.94 125.67 1npq h PHE 22 Ca -0.29 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1npq h PHE 22 Cb 2.01 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 40.39 1npq h PHE 22 CO 0.01 0.30 0.00 1.17 -2.02 0.00 0.00 178.31 177.77 1npq n LYS 23 N -4.44 0.12 0.00 1.11 3.00 -0.74 -4.06 118.16 113.16 1npq n LYS 23 Ca 0.01 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1npq n LYS 23 Cb 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.48 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 -1.64 -0.01 0.65 3.14 0.00 0.26 -1.83 120.51 121.08 1npq n ALA 24 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1npq n ALA 24 Cb 0.34 0.22 0.37 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.12 1.80 -0.37 0.00 0.00 -1.26 -3.58 120.51 115.98 1npq n ALA 25 Ca 0.00 -0.07 0.38 0.00 0.00 0.00 0.00 53.44 53.75 1npq n ALA 25 Cb 0.00 -1.25 0.73 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.50 0.89 116.94 119.37 1npq h PHE 26 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1npq h PHE 26 Cb 0.19 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 1npq h PHE 26 CO 0.00 0.00 -0.14 0.22 -2.02 0.00 0.00 178.31 176.37 1npq h ASP 27 N 0.00 0.00 -0.09 0.41 1.82 -1.70 -3.32 116.42 113.54 1npq h ASP 27 Ca 0.62 -0.00 0.03 0.00 -0.39 0.00 0.00 57.03 57.28 1npq h ASP 27 Cb 2.63 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.64 1npq h ASP 27 CO -0.01 0.57 0.07 0.24 -1.61 0.00 0.00 179.24 178.50 1npq h MET 28 N -1.00 0.00 0.00 0.28 2.86 -1.54 -3.14 114.93 112.39 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 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1npq h MET 28 CO -0.00 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.16 1npq n PHE 29 N -4.37 0.00 -1.66 -0.22 3.72 0.30 -4.53 117.46 110.70 1npq n PHE 29 Ca -0.01 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.93 1npq n PHE 29 Cb 0.18 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 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 -1.90 3.67 -0.10 4.37 8.00 -1.19 -4.87 116.55 124.53 1npq n ASP 30 Ca 0.00 0.88 -0.24 0.00 0.71 0.00 0.00 54.79 56.14 1npq n ASP 30 Cb 0.00 -1.44 -0.11 0.00 -0.02 0.00 0.00 41.12 39.55 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 7.42 1.04 0.28 2.24 0.00 -1.26 -4.30 120.51 125.93 1npq n ALA 31 Ca 0.23 -0.81 0.15 0.00 0.00 0.00 0.00 53.44 53.01 1npq n ALA 31 Cb 0.34 -0.27 0.48 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.69 0.00 0.00 0.00 2.03 -1.95 -3.48 116.42 112.33 1npq h ASP 32 Ca -0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1npq h ASP 32 Cb 1.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.12 1npq h ASP 32 CO -0.22 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.60 1npq n GLY 33 N 0.46 1.67 2.58 7.15 0.00 -1.26 -4.88 105.19 110.91 1npq n GLY 33 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.32 2.00 -0.02 0.00 -1.26 -4.75 105.19 103.48 1npq n GLY 34 Ca 0.00 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.06 5.75 3.05 -0.02 0.00 -1.26 -5.07 105.19 107.58 1npq n GLY 35 Ca 0.15 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.91 -7.50 -4.46 1.61 8.00 -1.26 -4.78 116.55 107.25 1npq n ASP 36 Ca 0.51 1.06 -0.34 0.00 0.71 0.00 0.00 54.79 56.73 1npq n ASP 36 Cb 0.92 -2.98 -0.13 0.00 -0.02 0.00 0.00 41.12 38.91 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 -1.53 3.70 0.00 0.53 1.01 -0.98 -4.74 121.20 119.18 1npq s ILE 37 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1npq s ILE 37 Cb 0.00 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1npq s ILE 37 CO 0.00 0.49 0.00 -0.24 0.00 0.00 0.00 174.94 175.19 1npq n SER 38 N 3.67 0.16 -0.01 3.58 2.88 -1.26 -0.55 113.62 122.09 1npq n SER 38 Ca -0.18 -0.30 -0.15 0.00 -1.33 0.00 0.00 58.87 56.91 1npq n SER 38 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.02 1.30 -0.01 2.46 1.35 -1.94 -3.18 112.91 112.90 1npq h THR 39 Ca 0.00 -2.00 -0.14 0.00 -0.55 0.00 0.00 66.41 63.72 1npq h THR 39 Cb 0.00 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1npq h THR 39 CO 0.00 0.63 -0.64 0.11 -0.25 0.00 0.00 175.52 175.37 1npq h LYS 40 N 0.48 0.06 0.00 4.72 1.57 -1.96 -3.00 116.57 118.44 1npq h LYS 40 Ca -0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1npq h LYS 40 Cb 1.38 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 1npq h LYS 40 CO 0.15 0.68 -0.13 0.93 -0.57 0.00 0.00 179.45 180.51 1npq h GLU 41 N 0.04 0.00 0.02 3.15 5.08 -1.90 -2.92 114.58 118.06 1npq h GLU 41 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1npq h GLU 41 Cb 1.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1npq h GLU 41 CO 0.09 0.13 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.92 1npq h LEU 42 N 0.00 0.18 -1.57 1.33 -0.00 -1.53 -3.23 115.31 110.48 1npq h LEU 42 Ca -0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 57.02 1npq h LEU 42 Cb 0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1npq h LEU 42 CO 0.02 1.01 0.13 1.23 -0.00 0.00 0.00 178.44 180.84 1npq h GLY 43 N -0.64 0.00 0.00 0.83 0.00 -1.50 -1.71 103.07 100.06 1npq h GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1npq h GLY 43 CO 0.05 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.00 1npq n THR 44 N -2.40 0.00 -0.21 4.70 -1.04 -1.15 -3.14 114.28 111.03 1npq n THR 44 Ca -0.02 0.41 -0.06 0.00 -2.04 0.00 0.00 64.05 62.35 1npq n THR 44 Cb 0.17 -0.88 0.04 0.00 -1.82 0.00 0.00 70.33 67.83 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 1.16 0.00 12.58 3.04 -1.66 -2.33 116.25 129.04 1npq h VAL 45 Ca 0.00 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1npq h VAL 45 Cb 0.00 0.27 -0.00 0.00 -2.01 0.00 0.00 31.29 29.55 1npq h VAL 45 CO 0.00 0.15 -0.04 0.24 -1.01 0.00 0.00 177.57 176.91 1npq h MET 46 N 0.82 0.00 0.19 4.17 2.07 -1.52 -1.55 114.93 119.11 1npq h MET 46 Ca 0.22 0.00 -0.24 0.00 -2.07 0.00 0.00 59.70 57.61 1npq h MET 46 Cb -0.09 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 29.67 1npq h MET 46 CO -0.05 0.04 -1.07 0.00 1.07 0.00 0.00 176.91 176.90 1npq h ARG 47 N 0.00 0.39 -0.06 1.72 3.08 -1.38 0.21 114.38 118.34 1npq h ARG 47 Ca -0.00 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1npq h ARG 47 Cb 0.09 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1npq h ARG 47 CO 0.01 1.32 0.00 0.00 -1.07 0.00 0.00 179.97 180.23 1npq n MET 48 N -3.97 1.22 -0.02 0.04 0.00 -0.97 -3.52 117.12 109.90 1npq n MET 48 Ca -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 57.70 57.21 1npq n MET 48 Cb 0.93 -1.26 -0.06 0.00 0.00 0.00 0.00 33.22 32.83 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 -0.40 0.00 0.00 3.17 4.77 -0.61 -5.03 117.00 118.90 1npq n LEU 49 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1npq n LEU 49 Cb 0.13 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1npq n LEU 49 CO 0.09 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1npq n GLY 50 N 2.33 3.68 3.75 -0.72 0.00 -1.13 -5.09 105.19 108.02 1npq n GLY 50 Ca -0.08 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 2.21 -0.35 1.61 2.00 0.71 -4.94 119.66 120.90 1npq s GLN 51 Ca 0.00 1.32 0.14 0.00 -2.00 0.00 0.00 55.36 54.82 1npq s GLN 51 Cb 0.00 -1.88 0.42 0.00 0.80 0.00 0.00 33.01 32.34 1npq s GLN 51 CO 0.00 -1.70 0.97 0.09 -0.50 0.00 0.00 175.29 174.15 1npq n ASN 52 N -3.29 0.55 -4.60 6.67 4.13 -1.26 -3.38 115.26 114.08 1npq n ASN 52 Ca 0.10 -2.80 -0.43 0.00 1.68 0.00 0.00 54.58 53.13 1npq n ASN 52 Cb 0.52 -0.16 -0.02 0.00 -1.54 0.00 0.00 39.78 38.58 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 -2.24 3.41 1.23 3.52 0.04 -1.26 -4.99 135.00 134.71 1npq s PRO 53 Ca 0.29 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 1npq s PRO 53 Cb 0.41 -4.13 0.28 0.00 0.04 0.00 0.00 34.50 31.10 1npq s PRO 53 CO -0.01 -1.77 0.63 0.25 0.04 0.00 0.00 177.00 176.14 1npq n THR 54 N 7.26 0.00 0.24 1.26 -2.24 -1.26 -4.44 114.28 115.10 1npq n THR 54 Ca 0.20 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.79 1npq n THR 54 Cb 0.47 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 1npq n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1npq h LYS 55 N -3.18 -0.75 0.00 -0.78 1.79 -1.96 -1.69 116.57 109.99 1npq h LYS 55 Ca -0.32 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1npq h LYS 55 Cb 1.02 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1npq h LYS 55 CO 0.19 -0.50 -0.02 0.00 -1.08 0.00 0.00 179.45 178.05 1npq h GLU 57 N 0.00 -1.08 -0.01 0.00 4.22 -1.61 0.12 114.58 116.22 1npq h GLU 57 Ca -0.00 0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.43 1npq h GLU 57 Cb 0.03 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1npq h GLU 57 CO 0.00 -0.72 -0.37 -0.07 -2.18 0.00 0.00 179.01 175.67 1npq h LEU 58 N -1.12 0.02 -1.34 1.64 3.38 -1.24 -2.44 115.31 114.21 1npq h LEU 58 Ca -0.10 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1npq h LEU 58 Cb 0.88 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1npq h LEU 58 CO 0.12 0.39 -0.28 -0.78 0.09 0.00 0.00 178.44 177.98 1npq h ASP 59 N 0.01 0.00 0.86 -0.43 1.82 -0.91 -0.17 116.42 117.60 1npq h ASP 59 Ca -0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.46 1npq h ASP 59 Cb 0.67 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.65 1npq h ASP 59 CO 0.05 0.28 -0.87 0.00 -1.61 0.00 0.00 179.24 177.09 1npq h ALA 60 N 1.72 0.57 0.00 -0.78 0.00 -0.27 -2.99 119.26 117.51 1npq h ALA 60 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1npq h ALA 60 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1npq h ALA 60 CO 0.04 1.08 -0.10 0.82 0.00 0.00 0.00 179.25 181.08 1npq h ILE 61 N 0.00 0.08 -0.81 0.00 5.03 -1.36 -3.35 117.51 117.11 1npq h ILE 61 Ca -0.01 -1.06 0.17 0.00 -0.12 0.00 0.00 64.86 63.84 1npq h ILE 61 Cb 1.53 0.15 -0.15 0.00 -3.03 0.00 0.00 36.82 35.33 1npq h ILE 61 CO 0.11 0.03 -0.12 0.40 -0.68 0.00 0.00 178.15 177.89 1npq h ILE 62 N -1.00 0.22 -1.02 -0.67 2.04 -1.18 1.06 117.51 116.95 1npq h ILE 62 Ca -0.00 -0.01 0.30 0.00 1.00 0.00 0.00 64.86 66.14 1npq h ILE 62 Cb 0.14 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1npq h ILE 62 CO -0.00 0.01 0.78 0.00 0.00 0.00 0.00 178.15 178.93 1npq n GLU 64 N -4.09 0.67 -0.07 0.00 1.02 0.34 -3.78 120.64 114.72 1npq n GLU 64 Ca 0.22 0.23 -0.11 0.00 -0.02 0.00 0.00 57.16 57.48 1npq n GLU 64 Cb 1.12 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.79 1npq n GLU 64 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1npq h VAL 65 N 0.02 1.20 -0.05 2.62 2.07 0.27 -3.16 116.25 119.22 1npq h VAL 65 Ca -0.38 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1npq h VAL 65 Cb 2.05 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1npq h VAL 65 CO 0.06 0.21 -0.04 0.44 0.02 0.00 0.00 177.57 178.26 1npq h ASP 66 N 0.21 -0.13 -2.74 0.57 3.32 -0.40 -3.46 116.42 113.79 1npq h ASP 66 Ca 0.08 0.03 -0.38 0.00 0.02 0.00 0.00 57.03 56.77 1npq h ASP 66 Cb 0.26 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1npq h ASP 66 CO -0.00 -0.06 -0.46 -0.62 -1.72 0.00 0.00 179.24 176.38 1npq n GLU 67 N -5.16 -1.73 0.00 3.56 -0.58 -1.19 -4.58 120.64 110.97 1npq n GLU 67 Ca -0.05 0.96 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 1npq n GLU 67 Cb 0.09 -5.55 0.00 0.00 -0.57 0.00 0.00 31.44 25.41 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 -1.79 0.00 0.00 1.62 5.68 -1.26 -5.08 116.55 115.72 1npq n ASP 68 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 1npq n ASP 68 Cb 0.66 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 1npq n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1npq n GLY 69 N -0.84 0.72 0.01 6.12 0.00 -1.26 -5.06 105.19 104.88 1npq n GLY 69 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 4.35 0.00 1.61 3.41 -1.26 -5.01 113.62 116.72 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 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 2.66 0.79 3.42 5.00 0.00 -1.26 -5.00 105.19 110.80 1npq n GLY 71 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.32 2.75 -0.25 2.61 -4.23 -1.26 -4.20 115.64 107.73 1npq s THR 72 Ca 0.00 -0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.56 1npq s THR 72 Cb 0.00 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 1npq s THR 72 CO 0.00 0.58 0.19 -0.63 -0.54 0.00 0.00 174.62 174.22 1npq s ILE 73 N -0.60 5.33 0.00 2.99 1.01 0.29 -4.76 121.20 125.46 1npq s ILE 73 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1npq s ILE 73 Cb -0.11 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1npq s ILE 73 CO 0.01 0.30 0.00 0.47 0.00 0.00 0.00 174.94 175.72 1npq n ASP 74 N 4.60 -0.70 0.05 3.58 9.92 -1.26 -2.33 116.55 130.40 1npq n ASP 74 Ca -0.14 -0.35 -0.02 0.00 -0.53 0.00 0.00 54.79 53.75 1npq n ASP 74 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1npq n ASP 74 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1npq h PHE 75 N -1.20 -0.12 0.00 1.24 3.04 -2.01 -3.29 116.94 114.59 1npq h PHE 75 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1npq h PHE 75 Cb 0.00 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1npq h PHE 75 CO 0.00 -0.08 -0.04 0.93 -2.02 0.00 0.00 178.31 177.11 1npq h GLU 76 N -0.18 0.00 -0.21 1.11 5.08 -1.95 -3.07 114.58 115.37 1npq h GLU 76 Ca -0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1npq h GLU 76 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1npq h GLU 76 CO 0.02 0.04 0.31 0.93 -1.00 0.00 0.00 179.01 179.31 1npq h GLU 77 N 0.00 0.00 0.00 2.33 5.08 -1.85 0.44 114.58 120.58 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 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 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 -3.48 0.01 -0.09 4.33 7.35 -1.16 -2.07 117.46 122.35 1npq n PHE 78 Ca 0.02 0.01 -0.23 0.00 -0.76 0.00 0.00 57.45 56.49 1npq n PHE 78 Cb 0.43 -0.51 -0.12 0.00 0.35 0.00 0.00 39.48 39.64 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 -1.51 2.42 0.08 -2.13 4.32 0.15 -4.29 117.00 116.04 1npq n LEU 79 Ca 0.04 0.18 0.05 0.00 -0.02 0.00 0.00 56.01 56.25 1npq n LEU 79 Cb 0.19 -0.95 0.47 0.00 -1.62 0.00 0.00 43.42 41.52 1npq n LEU 79 CO 0.15 0.70 1.09 0.58 -1.22 0.00 0.00 177.39 178.70 1npq h VAL 80 N -0.43 1.09 -1.00 4.08 2.07 -1.44 -1.39 116.25 119.24 1npq h VAL 80 Ca -0.53 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 66.90 1npq h VAL 80 Cb 1.75 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 32.16 1npq h VAL 80 CO -0.16 0.10 0.61 0.00 0.02 0.00 0.00 177.57 178.14 1npq h MET 81 N 0.37 0.83 0.02 1.57 -0.00 -1.60 0.00 114.93 116.11 1npq h MET 81 Ca 0.10 -0.05 -0.26 0.00 -0.00 0.00 0.00 59.70 59.49 1npq h MET 81 Cb 0.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 31.60 31.41 1npq h MET 81 CO -0.01 0.55 -1.37 1.98 -0.00 0.00 0.00 176.91 178.05 1npq h MET 82 N 0.85 0.04 -0.32 -0.10 -1.53 -1.56 -3.31 114.93 109.01 1npq h MET 82 Ca 0.54 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.75 1npq h MET 82 Cb 0.72 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.78 1npq h MET 82 CO -0.33 0.82 0.22 0.28 0.14 0.00 0.00 176.91 178.03 1npq h VAL 83 N 0.01 1.02 0.00 -5.77 2.07 -0.01 1.17 116.25 114.74 1npq h VAL 83 Ca -0.16 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1npq h VAL 83 Cb 1.91 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1npq h VAL 83 CO 0.11 0.06 -0.00 0.54 0.02 0.00 0.00 177.57 178.30 1npq n ARG 84 N -4.49 0.06 -0.06 1.57 1.74 -0.33 -2.30 116.66 112.85 1npq n ARG 84 Ca 0.03 0.05 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1npq n ARG 84 Cb 0.14 -1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 1npq n ARG 84 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1npq n GLN 85 N -1.67 1.59 0.01 5.56 6.02 0.51 -4.33 117.38 125.07 1npq n GLN 85 Ca 0.07 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 1npq n GLN 85 Cb 0.36 -1.34 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 1npq n GLN 85 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1npq h MET 86 N 0.00 -0.13 -3.24 -1.09 2.86 0.12 -3.40 114.93 110.05 1npq h MET 86 Ca -0.30 0.01 -0.65 0.00 -2.06 0.00 0.00 59.70 56.70 1npq h MET 86 Cb 1.61 0.03 -0.40 0.00 0.06 0.00 0.00 31.60 32.91 1npq h MET 86 CO 0.02 0.36 -0.45 -1.59 1.06 0.00 0.00 176.91 176.31 1npq s LYS 87 N -2.99 2.59 0.16 1.72 0.00 -0.97 -5.08 119.74 115.17 1npq s LYS 87 Ca -0.12 -3.13 -0.33 0.00 0.00 0.00 0.00 55.97 52.38 1npq s LYS 87 Cb -0.00 -3.57 -0.13 0.00 0.00 0.00 0.00 37.83 34.13 1npq s LYS 87 CO 0.47 -1.24 1.67 -1.91 0.00 0.00 0.00 175.35 174.33 1npq n GLU 88 N 2.39 2.41 -3.30 1.78 2.13 -1.26 -4.74 120.64 120.06 1npq n GLU 88 Ca 0.16 0.87 -0.19 0.00 0.66 0.00 0.00 57.16 58.66 1npq n GLU 88 Cb 0.35 -2.68 -0.01 0.00 0.27 0.00 0.00 31.44 29.37 1npq n GLU 88 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1npq s ASP 89 N 1.38 5.32 0.00 4.31 2.15 -1.26 -5.12 116.67 123.44 1npq s ASP 89 Ca 0.79 -0.62 0.29 0.00 0.43 0.00 0.00 52.55 53.44 1npq s ASP 89 Cb -0.61 -0.54 1.75 0.00 -0.30 0.00 0.00 42.92 43.22 1npq s ASP 89 CO 0.37 -0.75 2.08 0.00 -0.17 0.00 0.00 175.17 176.70