#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npg s LEU 2 N 0.00 4.16 0.92 0.99 1.02 -1.26 -5.11 118.68 119.40 1npg s LEU 2 Ca 0.00 0.18 -0.13 0.00 0.02 0.00 0.00 54.13 54.20 1npg s LEU 2 Cb 0.00 -2.76 0.14 0.00 0.02 0.00 0.00 46.19 43.60 1npg s LEU 2 CO 0.00 0.18 1.17 -0.94 0.02 0.00 0.00 176.35 176.78 1npg s SER 3 N -2.40 3.47 0.19 2.29 1.04 -1.26 -4.82 113.70 112.21 1npg s SER 3 Ca 0.32 0.82 -0.10 0.00 0.48 0.00 0.00 55.95 57.48 1npg s SER 3 Cb -0.13 -1.29 0.11 0.00 0.10 0.00 0.00 66.02 64.81 1npg s SER 3 CO 0.25 -2.56 1.73 0.44 0.98 0.00 0.00 173.24 174.08 1npg h ASP 4 N -1.51 1.00 -0.82 7.02 3.32 -1.99 -1.22 116.42 122.22 1npg h ASP 4 Ca -0.48 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.33 1npg h ASP 4 Cb 1.32 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1npg h ASP 4 CO 0.58 0.94 0.41 1.23 -1.72 0.00 0.00 179.24 180.68 1npg h GLY 5 N 1.00 1.26 1.12 2.75 0.00 -1.99 -1.21 103.07 106.00 1npg h GLY 5 Ca 0.22 -0.61 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1npg h GLY 5 CO -0.01 0.58 -0.25 0.83 0.00 0.00 0.00 176.54 177.69 1npg h GLU 6 N 1.17 0.99 -0.59 4.80 5.08 -1.83 -2.06 114.58 122.15 1npg h GLU 6 Ca 0.29 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1npg h GLU 6 Cb 0.09 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1npg h GLU 6 CO -0.04 1.12 0.16 -1.49 -1.00 0.00 0.00 179.01 177.76 1npg h TRP 7 N 0.85 0.93 -0.74 4.33 -0.00 -0.92 -0.56 115.95 119.84 1npg h TRP 7 Ca 0.10 -0.09 -0.04 0.00 -0.00 0.00 0.00 58.89 58.86 1npg h TRP 7 Cb 0.83 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.69 1npg h TRP 7 CO 0.06 0.76 0.28 0.37 -0.00 0.00 0.00 178.44 179.91 1npg h GLN 8 N 0.87 1.11 -0.60 0.49 4.15 -0.97 -1.28 115.11 118.88 1npg h GLN 8 Ca 0.19 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1npg h GLN 8 Cb 0.29 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1npg h GLN 8 CO -0.00 0.91 0.01 1.96 -1.93 0.00 0.00 178.83 179.78 1npg h GLN 9 N 1.06 1.05 -0.21 1.69 4.20 -0.82 -0.87 115.11 121.22 1npg h GLN 9 Ca 0.24 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1npg h GLN 9 Cb 0.23 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1npg h GLN 9 CO -0.02 1.02 0.11 0.28 -0.67 0.00 0.00 178.83 179.56 1npg h VAL 10 N 0.95 1.02 0.00 -0.54 2.07 -0.65 -0.13 116.25 118.97 1npg h VAL 10 Ca 0.17 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1npg h VAL 10 Cb 0.54 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1npg h VAL 10 CO 0.03 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.59 1npg h LEU 11 N 0.24 0.00 0.11 2.57 3.38 -1.14 -0.53 115.31 119.94 1npg h LEU 11 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1npg h LEU 11 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1npg h LEU 11 CO -0.04 0.00 -0.86 -1.13 0.09 0.00 0.00 178.44 176.50 1npg h ASN 12 N 0.00 0.56 -0.75 -0.43 -0.73 -0.63 -3.06 115.58 110.54 1npg h ASN 12 Ca 0.00 -0.89 -0.02 0.00 1.87 0.00 0.00 56.30 57.26 1npg h ASN 12 Cb 0.63 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 39.00 1npg h ASN 12 CO 0.00 1.40 0.41 0.58 -0.37 0.00 0.00 177.43 179.45 1npg h VAL 13 N -0.20 1.23 -0.01 2.57 2.07 -0.81 -2.04 116.25 119.06 1npg h VAL 13 Ca -0.14 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1npg h VAL 13 Cb 1.63 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1npg h VAL 13 CO 0.16 0.25 0.01 -0.25 0.02 0.00 0.00 177.57 177.77 1npg h TRP 14 N 1.04 0.00 -0.06 1.57 2.91 -1.11 0.01 115.95 120.30 1npg h TRP 14 Ca 0.26 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.30 1npg h TRP 14 Cb 0.04 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1npg h TRP 14 CO 0.00 0.00 0.05 0.78 -1.03 0.00 0.00 178.44 178.24 1npg h GLY 15 N 0.00 0.00 0.97 2.65 0.00 -1.26 -0.52 103.07 104.92 1npg h GLY 15 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1npg h GLY 15 CO -0.00 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.96 1npg h LYS 16 N 0.00 0.76 -0.67 4.80 1.57 -1.10 -2.83 116.57 119.10 1npg h LYS 16 Ca 0.03 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1npg h LYS 16 Cb 0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1npg h LYS 16 CO -0.00 0.89 0.16 0.28 -0.57 0.00 0.00 179.45 180.21 1npg h VAL 17 N 0.57 1.26 0.00 0.50 2.07 -1.21 -2.86 116.25 116.59 1npg h VAL 17 Ca 0.10 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1npg h VAL 17 Cb 0.60 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1npg h VAL 17 CO 0.04 0.36 0.00 -0.33 0.02 0.00 0.00 177.57 177.66 1npg h GLU 18 N 1.00 0.00 0.00 1.57 5.08 -1.18 -1.07 114.58 119.98 1npg h GLU 18 Ca 0.21 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1npg h GLU 18 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1npg h GLU 18 CO 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 179.01 177.69 1npg h ALA 19 N 2.08 1.07 -0.94 3.43 0.00 -1.25 -3.36 119.26 120.28 1npg h ALA 19 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 1npg h ALA 19 Cb 0.42 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 17.93 1npg h ALA 19 CO 0.00 0.40 -0.67 -3.47 0.00 0.00 0.00 179.25 175.51 1npg n ASP 20 N -3.57 -2.14 -0.28 0.00 2.03 -0.85 -5.01 116.55 106.72 1npg n ASP 20 Ca -0.01 -2.97 -0.04 0.00 0.52 0.00 0.00 54.79 52.29 1npg n ASP 20 Cb 0.45 1.03 0.10 0.00 -0.72 0.00 0.00 41.12 41.99 1npg n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1npg h ILE 21 N 3.50 1.25 -0.45 5.18 6.09 -1.38 -1.64 117.51 130.07 1npg h ILE 21 Ca -0.00 -0.74 -0.14 0.00 -1.37 0.00 0.00 64.86 62.61 1npg h ILE 21 Cb 1.01 0.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.55 1npg h ILE 21 CO 0.28 0.31 -0.25 0.00 -3.07 0.00 0.00 178.15 175.42 1npg h ALA 22 N 1.25 0.64 -0.17 0.18 0.00 -1.88 0.07 119.26 119.34 1npg h ALA 22 Ca 0.27 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1npg h ALA 22 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1npg h ALA 22 CO -0.03 0.65 -0.07 0.78 0.00 0.00 0.00 179.25 180.59 1npg h GLY 23 N 0.81 0.38 1.11 0.00 0.00 -1.89 -0.85 103.07 102.63 1npg h GLY 23 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1npg h GLY 23 CO 0.07 0.30 0.07 0.45 0.00 0.00 0.00 176.54 177.43 1npg h HIS 24 N 0.04 1.16 -0.39 5.60 -0.00 -1.30 -2.20 115.15 118.06 1npg h HIS 24 Ca 0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1npg h HIS 24 Cb 0.53 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1npg h HIS 24 CO 0.06 0.99 0.20 0.78 -0.00 0.00 0.00 177.93 179.96 1npg h GLY 25 N 1.03 0.58 0.99 2.45 0.00 -0.90 -1.35 103.07 105.88 1npg h GLY 25 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1npg h GLY 25 CO 0.02 0.26 -0.06 -1.61 0.00 0.00 0.00 176.54 175.16 1npg h GLN 26 N 0.49 -0.15 -0.58 4.80 4.15 -1.04 -2.14 115.11 120.64 1npg h GLN 26 Ca 0.13 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1npg h GLN 26 Cb 0.09 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1npg h GLN 26 CO -0.02 -0.08 0.37 0.93 -1.93 0.00 0.00 178.83 178.09 1npg h GLU 27 N -0.17 0.77 -0.19 1.69 5.08 -1.29 -0.24 114.58 120.23 1npg h GLU 27 Ca -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1npg h GLU 27 Cb 0.13 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1npg h GLU 27 CO 0.03 0.53 0.00 0.28 -1.00 0.00 0.00 179.01 178.85 1npg h VAL 28 N 0.79 1.25 -0.28 3.13 2.07 -1.03 -0.88 116.25 121.30 1npg h VAL 28 Ca 0.21 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1npg h VAL 28 Cb -0.06 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1npg h VAL 28 CO -0.04 0.26 0.10 -0.07 0.02 0.00 0.00 177.57 177.83 1npg h LEU 29 N 0.09 0.40 -1.18 2.57 3.38 -1.01 -1.16 115.31 118.42 1npg h LEU 29 Ca 0.05 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1npg h LEU 29 Cb 0.38 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1npg h LEU 29 CO 0.01 0.48 0.53 0.40 0.09 0.00 0.00 178.44 179.96 1npg h ILE 30 N 0.29 1.21 -0.46 1.22 2.04 -1.01 0.17 117.51 120.97 1npg h ILE 30 Ca 0.09 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1npg h ILE 30 Cb 0.22 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1npg h ILE 30 CO -0.00 0.21 0.07 -0.09 0.00 0.00 0.00 178.15 178.33 1npg h ARG 31 N 1.11 0.76 -0.04 2.37 9.65 -0.93 -0.13 114.38 127.17 1npg h ARG 31 Ca 0.30 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1npg h ARG 31 Cb -0.11 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1npg h ARG 31 CO -0.06 0.78 0.02 1.25 2.80 0.00 0.00 179.97 184.76 1npg h LEU 32 N 0.62 0.05 -0.54 3.80 5.85 -0.37 -1.67 115.31 123.05 1npg h LEU 32 Ca 0.14 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1npg h LEU 32 Cb 0.40 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1npg h LEU 32 CO 0.01 0.15 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.96 1npg h PHE 33 N -0.04 1.08 -0.11 1.25 0.04 -0.62 -0.48 116.94 118.05 1npg h PHE 33 Ca 0.01 -0.20 -0.21 0.00 2.80 0.00 0.00 57.97 60.37 1npg h PHE 33 Cb 0.11 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 37.99 1npg h PHE 33 CO -0.04 0.99 -0.79 1.79 -0.60 0.00 0.00 178.31 179.66 1npg h THR 34 N 0.85 1.32 0.00 -1.55 1.35 -1.04 -2.85 112.91 110.99 1npg h THR 34 Ca 0.15 -2.08 -0.07 0.00 -0.55 0.00 0.00 66.41 63.86 1npg h THR 34 Cb 0.59 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 1npg h THR 34 CO 0.04 0.64 -0.33 1.23 -0.25 0.00 0.00 175.52 176.85 1npg h GLY 35 N 0.85 0.00 -6.20 5.82 0.00 -1.30 -3.39 103.07 98.86 1npg h GLY 35 Ca -0.05 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 1npg h GLY 35 CO 0.15 0.00 -0.99 1.42 0.00 0.00 0.00 176.54 177.12 1npg n HIS 36 N -3.17 -0.94 0.07 5.60 8.25 -0.19 -5.00 115.22 119.84 1npg n HIS 36 Ca 0.03 -3.27 0.21 0.00 -0.26 0.00 0.00 57.72 54.42 1npg n HIS 36 Cb 0.66 0.17 0.67 0.00 1.12 0.00 0.00 29.99 32.61 1npg n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1npg h PRO 37 N 5.16 0.00 0.00 -0.41 0.11 -1.72 0.36 132.00 135.50 1npg h PRO 37 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1npg h PRO 37 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1npg h PRO 37 CO 0.38 0.00 -0.09 1.05 -0.21 0.00 0.00 178.00 179.13 1npg h GLU 38 N 0.00 0.00 -0.08 1.05 9.09 -1.93 -2.59 114.58 120.12 1npg h GLU 38 Ca 0.22 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.43 1npg h GLU 38 Cb 1.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.52 1npg h GLU 38 CO -0.00 0.09 -0.78 1.79 0.05 0.00 0.00 179.01 180.16 1npg h THR 39 N 0.00 1.36 -0.49 -1.06 1.35 -1.24 -3.13 112.91 109.70 1npg h THR 39 Ca -0.00 -2.15 -0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1npg h THR 39 Cb 0.40 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1npg h THR 39 CO 0.01 0.65 0.28 0.25 -0.25 0.00 0.00 175.52 176.47 1npg h LEU 40 N 0.33 0.58 -1.57 3.87 5.85 -1.59 -1.60 115.31 121.18 1npg h LEU 40 Ca -0.05 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1npg h LEU 40 Cb 1.38 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1npg h LEU 40 CO 0.14 0.45 0.00 -0.33 -0.34 0.00 0.00 178.44 178.37 1npg h GLU 41 N 0.67 0.00 0.00 1.25 4.39 -1.55 -1.09 114.58 118.26 1npg h GLU 41 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1npg h GLU 41 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1npg h GLU 41 CO -0.03 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.45 1npg n LYS 42 N -2.59 0.06 -3.70 2.33 4.76 -0.60 -4.54 118.16 113.89 1npg n LYS 42 Ca -0.00 0.10 -0.38 0.00 -2.87 0.00 0.00 58.31 55.15 1npg n LYS 42 Cb 0.15 -1.58 -0.11 0.00 -1.84 0.00 0.00 35.03 31.64 1npg n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1npg s PHE 43 N -3.04 3.37 0.42 2.13 0.40 -0.41 -4.95 117.98 115.91 1npg s PHE 43 Ca 0.12 -1.75 0.12 0.00 -0.60 0.00 0.00 56.93 54.82 1npg s PHE 43 Cb 0.16 -2.82 0.90 0.00 0.51 0.00 0.00 43.02 41.76 1npg s PHE 43 CO 0.50 -0.85 1.96 -0.44 0.70 0.00 0.00 175.22 177.09 1npg h ASP 44 N 8.26 0.12 -0.04 1.36 3.32 -1.82 -1.48 116.42 126.13 1npg h ASP 44 Ca -0.21 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1npg h ASP 44 Cb 1.07 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1npg h ASP 44 CO 0.70 0.28 0.00 2.29 -1.72 0.00 0.00 179.24 180.78 1npg n LYS 45 N -4.31 1.21 0.00 3.56 2.85 -1.26 -3.62 118.16 116.60 1npg n LYS 45 Ca -0.01 -0.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 1npg n LYS 45 Cb 0.25 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1npg n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1npg n PHE 46 N -0.49 0.00 0.29 5.58 3.72 -0.82 -4.77 117.46 120.97 1npg n PHE 46 Ca 0.16 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.72 1npg n PHE 46 Cb 0.15 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.44 1npg n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1npg h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.36 -1.43 116.57 114.81 1npg h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1npg h LYS 47 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1npg h LYS 47 CO 0.00 0.00 0.00 1.12 -2.00 0.00 0.00 179.45 178.57 1npg h HIS 48 N 0.00 0.00 -3.17 0.07 2.07 -1.86 -3.42 115.15 108.83 1npg h HIS 48 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 1npg h HIS 48 Cb 0.20 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.12 1npg h HIS 48 CO 0.00 0.00 1.04 -0.51 -3.07 0.00 0.00 177.93 175.39 1npg s LEU 49 N -4.74 3.50 0.03 6.12 1.43 -0.54 -4.85 118.68 119.63 1npg s LEU 49 Ca 0.08 0.42 0.21 0.00 -1.03 0.00 0.00 54.13 53.81 1npg s LEU 49 Cb 0.11 -3.29 -0.21 0.00 0.03 0.00 0.00 46.19 42.83 1npg s LEU 49 CO 0.54 -1.52 0.65 0.29 0.23 0.00 0.00 176.35 176.54 1npg n LYS 50 N 8.33 0.64 -4.25 1.70 4.76 -1.26 -4.97 118.16 123.11 1npg n LYS 50 Ca 0.13 -0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.35 1npg n LYS 50 Cb 0.49 -1.64 -0.11 0.00 -1.84 0.00 0.00 35.03 31.93 1npg n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1npg s THR 51 N -3.32 1.33 0.41 -0.18 -4.23 -1.26 -5.02 115.64 103.36 1npg s THR 51 Ca -0.05 -1.82 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1npg s THR 51 Cb 0.11 -1.63 0.21 0.00 1.34 0.00 0.00 72.50 72.54 1npg s THR 51 CO 0.86 -0.49 1.99 -0.08 -0.54 0.00 0.00 174.62 176.35 1npg h GLU 52 N 3.31 0.32 -0.73 3.99 4.81 -1.99 -1.36 114.58 122.92 1npg h GLU 52 Ca -0.39 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1npg h GLU 52 Cb 1.20 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1npg h GLU 52 CO 0.54 0.33 0.48 0.00 -0.73 0.00 0.00 179.01 179.63 1npg h ALA 53 N 1.72 0.93 -0.35 2.92 0.00 -1.98 0.31 119.26 122.80 1npg h ALA 53 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1npg h ALA 53 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1npg h ALA 53 CO 0.00 0.33 -0.19 0.93 0.00 0.00 0.00 179.25 180.32 1npg h GLU 54 N 0.98 0.65 -0.18 0.00 5.08 -1.70 -1.53 114.58 117.88 1npg h GLU 54 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1npg h GLU 54 Cb -0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1npg h GLU 54 CO -0.06 0.80 0.04 0.52 -1.00 0.00 0.00 179.01 179.30 1npg h MET 55 N 0.58 0.29 -0.07 2.33 2.86 -0.33 -1.49 114.93 119.09 1npg h MET 55 Ca 0.09 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1npg h MET 55 Cb 0.64 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1npg h MET 55 CO 0.05 0.43 -0.06 -0.22 1.06 0.00 0.00 176.91 178.16 1npg h LYS 56 N 0.10 0.09 -0.01 1.72 1.63 -0.24 -1.98 116.57 117.89 1npg h LYS 56 Ca 0.06 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1npg h LYS 56 Cb 0.27 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1npg h LYS 56 CO 0.00 0.17 -0.20 0.00 -3.45 0.00 0.00 179.45 175.96 1npg n ALA 57 N -2.51 2.97 -2.61 5.00 0.00 -0.59 -4.84 120.51 117.92 1npg n ALA 57 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 1npg n ALA 57 Cb 0.17 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1npg n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1npg s SER 58 N -2.39 6.74 0.40 0.00 0.15 -0.58 -4.88 113.70 113.13 1npg s SER 58 Ca 0.27 0.67 0.22 0.00 0.70 0.00 0.00 55.95 57.81 1npg s SER 58 Cb 0.20 -2.54 0.66 0.00 -1.71 0.00 0.00 66.02 62.63 1npg s SER 58 CO 0.48 -1.09 1.71 -0.33 1.20 0.00 0.00 173.24 175.22 1npg h GLU 59 N 8.76 0.00 0.00 5.44 4.39 -1.88 -2.90 114.58 128.39 1npg h GLU 59 Ca -0.22 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.32 1npg h GLU 59 Cb 1.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1npg h GLU 59 CO 1.08 0.27 -0.75 0.22 -1.16 0.00 0.00 179.01 178.67 1npg h ASP 60 N 0.00 0.00 -0.30 1.42 3.58 -1.96 -0.96 116.42 118.21 1npg h ASP 60 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1npg h ASP 60 Cb 0.93 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1npg h ASP 60 CO 0.04 0.75 -0.42 0.25 -2.88 0.00 0.00 179.24 176.98 1npg h LEU 61 N 0.00 0.92 -0.57 2.28 6.46 -1.85 0.37 115.31 122.92 1npg h LEU 61 Ca -0.01 -0.43 -0.07 0.00 -0.12 0.00 0.00 57.88 57.25 1npg h LEU 61 Cb 1.34 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1npg h LEU 61 CO 0.10 1.21 0.07 0.50 -0.62 0.00 0.00 178.44 179.70 1npg h LYS 62 N 0.69 0.96 0.00 1.25 3.64 -1.40 0.22 116.57 121.93 1npg h LYS 62 Ca 0.05 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1npg h LYS 62 Cb 1.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1npg h LYS 62 CO 0.10 0.92 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.89 1npg h LYS 63 N 0.85 -0.15 -0.19 1.90 3.64 -0.84 -1.39 116.57 120.40 1npg h LYS 63 Ca 0.17 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1npg h LYS 63 Cb 0.44 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1npg h LYS 63 CO 0.01 -0.10 -0.14 1.25 -2.27 0.00 0.00 179.45 178.21 1npg h HIS 64 N -0.15 0.33 -0.83 1.91 2.76 -0.72 -1.81 115.15 116.63 1npg h HIS 64 Ca 0.03 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1npg h HIS 64 Cb 0.19 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 1npg h HIS 64 CO -0.15 0.44 0.51 0.78 -1.30 0.00 0.00 177.93 178.22 1npg h GLY 65 N 0.82 1.20 1.09 5.26 0.00 -0.21 0.05 103.07 111.29 1npg h GLY 65 Ca 0.06 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1npg h GLY 65 CO 0.03 0.47 0.06 -0.84 0.00 0.00 0.00 176.54 176.26 1npg h THR 66 N 1.14 1.26 -0.58 4.70 2.02 -0.44 -1.56 112.91 119.46 1npg h THR 66 Ca 0.30 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1npg h THR 66 Cb -0.07 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1npg h THR 66 CO -0.06 0.40 0.07 0.58 0.37 0.00 0.00 175.52 176.89 1npg h VAL 67 N 1.01 1.26 0.21 3.16 2.07 -0.81 -1.60 116.25 121.56 1npg h VAL 67 Ca 0.19 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1npg h VAL 67 Cb 0.49 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1npg h VAL 67 CO 0.02 0.37 -0.10 0.58 0.02 0.00 0.00 177.57 178.46 1npg h VAL 68 N 0.87 0.88 0.00 2.57 2.07 -0.84 -2.53 116.25 119.27 1npg h VAL 68 Ca 0.17 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1npg h VAL 68 Cb 0.45 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1npg h VAL 68 CO 0.02 0.11 -0.29 -0.07 0.02 0.00 0.00 177.57 177.36 1npg h LEU 69 N -0.54 0.00 -0.43 2.57 3.38 -1.31 -1.98 115.31 117.00 1npg h LEU 69 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1npg h LEU 69 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1npg h LEU 69 CO 0.05 0.29 -0.16 0.74 0.09 0.00 0.00 178.44 179.45 1npg h THR 70 N 0.00 1.28 -0.08 0.22 2.02 -1.27 0.75 112.91 115.82 1npg h THR 70 Ca -0.00 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 1npg h THR 70 Cb 0.71 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1npg h THR 70 CO 0.04 0.44 0.04 0.00 0.37 0.00 0.00 175.52 176.40 1npg h ALA 71 N 0.84 0.10 -0.74 6.16 0.00 -1.12 -1.59 119.26 122.92 1npg h ALA 71 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1npg h ALA 71 Cb 0.71 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1npg h ALA 71 CO 0.05 -0.34 0.37 1.25 0.00 0.00 0.00 179.25 180.59 1npg h LEU 72 N 0.00 0.96 -0.67 0.00 5.85 -1.28 -2.02 115.31 118.16 1npg h LEU 72 Ca 0.03 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1npg h LEU 72 Cb 0.12 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1npg h LEU 72 CO -0.00 0.81 0.43 1.23 -0.34 0.00 0.00 178.44 180.57 1npg h GLY 73 N 1.04 0.95 1.02 3.75 0.00 -0.67 0.13 103.07 109.29 1npg h GLY 73 Ca 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1npg h GLY 73 CO -0.04 0.31 0.45 -1.33 0.00 0.00 0.00 176.54 175.93 1npg h GLY 74 N 0.86 1.26 0.97 4.60 0.00 -0.93 -1.61 103.07 108.22 1npg h GLY 74 Ca 0.25 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1npg h GLY 74 CO -0.08 0.56 0.04 -2.22 0.00 0.00 0.00 176.54 174.84 1npg h ILE 75 N 1.17 1.25 -0.49 2.60 2.04 -0.63 -3.03 117.51 120.42 1npg h ILE 75 Ca 0.29 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1npg h ILE 75 Cb 0.05 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1npg h ILE 75 CO -0.05 0.34 0.12 -0.07 0.00 0.00 0.00 178.15 178.49 1npg h LEU 76 N 0.61 0.69 0.00 1.44 3.38 -0.42 -1.87 115.31 119.14 1npg h LEU 76 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1npg h LEU 76 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1npg h LEU 76 CO 0.02 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.52 1npg n LYS 77 N -4.29 0.09 0.00 1.13 5.02 -0.64 -1.29 118.16 118.18 1npg n LYS 77 Ca 0.03 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 1npg n LYS 77 Cb 0.21 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.10 1npg n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1npg n LYS 78 N -1.40 0.27 -3.94 1.97 4.76 -0.70 -4.96 118.16 114.15 1npg n LYS 78 Ca 0.05 -0.13 -0.30 0.00 -2.87 0.00 0.00 58.31 55.05 1npg n LYS 78 Cb 0.13 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 1npg n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1npg n LYS 79 N -1.25 -2.20 0.00 1.97 5.02 -0.41 -1.96 118.16 119.33 1npg n LYS 79 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1npg n LYS 79 Cb 0.33 -4.10 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 1npg n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1npg n GLY 80 N -1.99 3.08 2.68 0.72 0.00 -1.26 -4.93 105.19 103.50 1npg n GLY 80 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1npg n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1npg n HIS 81 N -0.88 2.70 -1.22 1.61 8.25 -0.83 -4.62 115.22 120.23 1npg n HIS 81 Ca 0.00 -2.77 0.08 0.00 -0.26 0.00 0.00 57.72 54.77 1npg n HIS 81 Cb 0.00 -1.79 0.17 0.00 1.12 0.00 0.00 29.99 29.50 1npg n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1npg n HIS 82 N 2.41 0.17 -0.11 4.41 1.44 -1.26 -4.82 115.22 117.47 1npg n HIS 82 Ca 0.49 -1.15 -0.05 0.00 -2.01 0.00 0.00 57.72 55.00 1npg n HIS 82 Cb 0.30 -0.21 0.01 0.00 0.12 0.00 0.00 29.99 30.20 1npg n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1npg h GLU 83 N 0.51 -0.02 -0.84 -1.40 4.57 -1.99 0.28 114.58 115.69 1npg h GLU 83 Ca 0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1npg h GLU 83 Cb 1.09 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 1npg h GLU 83 CO 0.05 -0.01 0.42 0.00 -1.18 0.00 0.00 179.01 178.29 1npg h ALA 84 N 1.34 1.08 0.01 2.92 0.00 -2.00 -0.48 119.26 122.13 1npg h ALA 84 Ca 0.18 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1npg h ALA 84 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1npg h ALA 84 CO -0.39 0.63 -0.93 0.93 0.00 0.00 0.00 179.25 179.50 1npg h GLU 85 N 1.19 0.26 0.13 0.00 3.07 -1.80 -3.38 114.58 114.05 1npg h GLU 85 Ca 0.29 -0.30 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 1npg h GLU 85 Cb 0.10 0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1npg h GLU 85 CO -0.04 1.02 -0.97 1.25 -1.40 0.00 0.00 179.01 178.88 1npg h LEU 86 N 0.14 0.43 -0.62 1.33 6.46 -0.28 -3.37 115.31 119.41 1npg h LEU 86 Ca -0.06 -0.92 0.12 0.00 -0.12 0.00 0.00 57.88 56.90 1npg h LEU 86 Cb 1.57 -0.14 -0.12 0.00 -0.73 0.00 0.00 40.66 41.24 1npg h LEU 86 CO 0.15 1.45 -0.16 0.50 -0.62 0.00 0.00 178.44 179.75 1npg h LYS 87 N -0.37 -0.01 -0.47 1.25 3.64 -1.26 -0.86 116.57 118.49 1npg h LYS 87 Ca -0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1npg h LYS 87 Cb 1.66 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.46 1npg h LYS 87 CO 0.12 -0.01 0.22 -1.00 -2.27 0.00 0.00 179.45 176.52 1npg h PRO 88 N -0.01 0.66 -0.23 1.90 0.13 -1.75 -1.07 132.00 131.62 1npg h PRO 88 Ca 0.29 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 65.21 1npg h PRO 88 Cb 0.46 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1npg h PRO 88 CO -0.64 0.52 -0.41 -0.07 -0.23 0.00 0.00 178.00 177.17 1npg h LEU 89 N 0.66 0.76 -0.66 1.56 3.38 -1.47 -1.18 115.31 118.36 1npg h LEU 89 Ca 0.17 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1npg h LEU 89 Cb 0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1npg h LEU 89 CO -0.02 1.15 0.44 0.00 0.09 0.00 0.00 178.44 180.10 1npg h ALA 90 N 0.63 0.84 -0.03 1.53 0.00 -0.84 -0.86 119.26 120.53 1npg h ALA 90 Ca 0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1npg h ALA 90 Cb 1.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1npg h ALA 90 CO 0.09 0.27 -0.74 1.96 0.00 0.00 0.00 179.25 180.83 1npg h GLN 91 N 0.90 0.21 -0.17 0.00 4.20 -1.16 -1.95 115.11 117.14 1npg h GLN 91 Ca 0.24 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 1npg h GLN 91 Cb -0.10 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1npg h GLN 91 CO -0.05 0.86 -0.63 0.66 -0.67 0.00 0.00 178.83 179.00 1npg h SER 92 N 0.14 0.68 0.75 1.46 4.64 -0.97 -1.07 113.55 119.18 1npg h SER 92 Ca -0.02 -0.39 -0.15 0.00 -0.47 0.00 0.00 61.79 60.75 1npg h SER 92 Cb 1.31 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1npg h SER 92 CO 0.11 1.14 -0.73 0.45 -0.87 0.00 0.00 176.83 176.93 1npg h HIS 93 N 0.44 0.00 0.00 4.77 3.86 -1.14 -0.81 115.15 122.27 1npg h HIS 93 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1npg h HIS 93 Cb 1.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1npg h HIS 93 CO 0.05 0.73 -0.23 0.00 0.86 0.00 0.00 177.93 179.35 1npg h ALA 94 N 1.27 0.04 0.21 2.45 0.00 -1.33 0.18 119.26 122.08 1npg h ALA 94 Ca -0.01 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1npg h ALA 94 Cb 1.31 0.15 0.03 0.00 0.00 0.00 0.00 17.79 19.27 1npg h ALA 94 CO 0.10 0.14 -1.43 1.15 0.00 0.00 0.00 179.25 179.20 1npg h THR 95 N -1.00 1.32 0.01 0.00 2.02 -1.31 -3.16 112.91 110.80 1npg h THR 95 Ca -0.05 -2.80 -0.34 0.00 0.77 0.00 0.00 66.41 63.99 1npg h THR 95 Cb 0.80 3.00 -0.05 0.00 -1.74 0.00 0.00 68.15 70.16 1npg h THR 95 CO -0.03 0.84 -1.85 1.17 0.37 0.00 0.00 175.52 176.01 1npg n LYS 96 N -3.65 0.59 0.06 6.66 4.81 -0.48 -4.56 118.16 121.60 1npg n LYS 96 Ca -0.15 0.42 0.12 0.00 -0.87 0.00 0.00 58.31 57.83 1npg n LYS 96 Cb 1.08 -1.64 0.18 0.00 0.02 0.00 0.00 35.03 34.68 1npg n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1npg n HIS 97 N -4.24 0.57 -3.56 5.64 8.25 -0.43 -4.98 115.22 116.46 1npg n HIS 97 Ca -0.41 0.17 -0.21 0.00 -0.26 0.00 0.00 57.72 57.00 1npg n HIS 97 Cb 0.80 -0.67 0.05 0.00 1.12 0.00 0.00 29.99 31.29 1npg n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1npg n LYS 98 N -2.11 -3.83 -3.44 -0.41 4.76 -0.35 -4.96 118.16 107.82 1npg n LYS 98 Ca 0.03 0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 55.72 1npg n LYS 98 Cb 0.44 -5.20 -0.10 0.00 -1.84 0.00 0.00 35.03 28.33 1npg n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1npg s ILE 99 N -3.53 5.23 0.57 -0.18 -1.09 0.49 -5.01 121.20 117.68 1npg s ILE 99 Ca 0.19 -0.53 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 1npg s ILE 99 Cb -0.05 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1npg s ILE 99 CO 0.80 -0.29 1.30 -2.65 -1.23 0.00 0.00 174.94 172.86 1npg n PRO 100 N 5.24 1.50 0.13 2.79 -0.02 -1.26 -4.69 135.00 138.69 1npg n PRO 100 Ca -0.10 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 1npg n PRO 100 Cb 0.47 -2.51 0.70 0.00 -0.02 0.00 0.00 33.50 32.14 1npg n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1npg h ILE 101 N 1.18 0.78 -0.74 4.25 6.09 -1.94 -0.71 117.51 126.42 1npg h ILE 101 Ca -0.50 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.06 1npg h ILE 101 Cb 1.32 0.85 -0.05 0.00 0.47 0.00 0.00 36.82 39.41 1npg h ILE 101 CO 0.56 0.00 0.48 0.50 -3.07 0.00 0.00 178.15 176.62 1npg h LYS 102 N 0.00 0.71 -0.13 2.19 1.63 -2.00 -0.61 116.57 118.36 1npg h LYS 102 Ca 0.13 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1npg h LYS 102 Cb 0.57 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1npg h LYS 102 CO -0.00 0.47 -0.19 1.88 -3.45 0.00 0.00 179.45 178.16 1npg h TYR 103 N 0.73 0.24 0.00 1.91 -1.99 -1.47 -0.88 116.97 115.51 1npg h TYR 103 Ca 0.33 -0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.93 1npg h TYR 103 Cb 0.33 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1npg h TYR 103 CO -0.00 0.41 -0.46 -0.07 -0.00 0.00 0.00 178.16 178.04 1npg h LEU 104 N 0.21 0.00 -0.21 3.88 3.38 -1.19 -1.17 115.31 120.21 1npg h LEU 104 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1npg h LEU 104 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1npg h LEU 104 CO 0.03 0.46 -0.10 -0.08 0.09 0.00 0.00 178.44 178.84 1npg h GLU 105 N 0.00 0.44 -0.30 1.13 4.81 -0.81 -1.96 114.58 117.90 1npg h GLU 105 Ca -0.00 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1npg h GLU 105 Cb 0.88 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 1npg h GLU 105 CO 0.06 0.72 0.02 0.74 -0.73 0.00 0.00 179.01 179.82 1npg h PHE 106 N 0.14 0.02 0.00 0.92 0.04 -0.65 -1.37 116.94 116.04 1npg h PHE 106 Ca 0.05 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1npg h PHE 106 Cb 0.59 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1npg h PHE 106 CO 0.06 -0.03 -0.35 0.97 -0.60 0.00 0.00 178.31 178.36 1npg h ILE 107 N 0.11 1.03 -0.20 -0.55 2.10 -1.20 0.05 117.51 118.84 1npg h ILE 107 Ca 0.14 -1.30 -0.04 0.00 1.08 0.00 0.00 64.86 64.74 1npg h ILE 107 Cb 0.18 1.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 1npg h ILE 107 CO -0.22 0.34 -0.03 0.28 -1.08 0.00 0.00 178.15 177.44 1npg h SER 108 N 0.00 0.37 -0.51 2.19 0.02 -0.74 -0.91 113.55 113.97 1npg h SER 108 Ca -0.00 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1npg h SER 108 Cb 0.72 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1npg h SER 108 CO 0.05 0.63 0.16 0.44 -1.14 0.00 0.00 176.83 176.96 1npg h ASP 109 N 0.11 0.78 -0.75 3.07 3.32 -0.94 -2.44 116.42 119.56 1npg h ASP 109 Ca 0.05 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1npg h ASP 109 Cb 0.45 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1npg h ASP 109 CO 0.02 0.75 0.29 0.00 -1.72 0.00 0.00 179.24 178.57 1npg h ALA 110 N 1.36 1.08 -0.52 3.45 0.00 -0.69 -0.71 119.26 123.22 1npg h ALA 110 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1npg h ALA 110 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1npg h ALA 110 CO -0.01 0.65 0.18 0.82 0.00 0.00 0.00 179.25 180.90 1npg h ILE 111 N 1.11 1.23 -0.65 0.00 2.04 -0.72 0.28 117.51 120.79 1npg h ILE 111 Ca 0.25 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1npg h ILE 111 Cb 0.23 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1npg h ILE 111 CO -0.02 0.27 0.22 0.40 0.00 0.00 0.00 178.15 179.03 1npg h ILE 112 N 0.71 1.25 -0.24 -0.67 1.08 -1.16 -1.37 117.51 117.11 1npg h ILE 112 Ca 0.17 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1npg h ILE 112 Cb 0.24 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1npg h ILE 112 CO -0.01 0.32 0.12 -0.74 -0.69 0.00 0.00 178.15 177.15 1npg h HIS 113 N 0.94 0.34 -0.70 1.37 2.76 -0.76 -2.60 115.15 116.50 1npg h HIS 113 Ca 0.21 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 1npg h HIS 113 Cb 0.27 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1npg h HIS 113 CO 0.02 0.32 0.28 0.28 -1.30 0.00 0.00 177.93 177.53 1npg h VAL 114 N 0.27 1.24 -0.66 5.26 2.07 -0.78 -1.01 116.25 122.63 1npg h VAL 114 Ca 0.08 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1npg h VAL 114 Cb 0.10 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1npg h VAL 114 CO -0.01 0.30 0.36 -0.07 0.02 0.00 0.00 177.57 178.17 1npg h LEU 115 N 1.01 0.82 -0.74 2.57 3.38 -1.07 -0.41 115.31 120.88 1npg h LEU 115 Ca 0.24 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1npg h LEU 115 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1npg h LEU 115 CO -0.02 0.69 -0.33 0.45 0.09 0.00 0.00 178.44 179.32 1npg h HIS 116 N 0.90 0.68 -0.45 1.13 3.86 -1.14 -0.74 115.15 119.39 1npg h HIS 116 Ca 0.23 -0.18 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1npg h HIS 116 Cb 0.05 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1npg h HIS 116 CO -0.01 0.84 -0.27 1.03 0.86 0.00 0.00 177.93 180.39 1npg h SER 117 N 0.50 1.00 1.12 2.45 0.87 -0.74 -2.29 113.55 116.46 1npg h SER 117 Ca 0.06 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.14 1npg h SER 117 Cb 0.81 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1npg h SER 117 CO 0.07 1.20 -0.92 0.11 -0.53 0.00 0.00 176.83 176.75 1npg h LYS 118 N 0.82 0.00 -1.75 2.24 1.57 -1.06 -3.39 116.57 115.00 1npg h LYS 118 Ca 0.10 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.38 1npg h LYS 118 Cb 0.85 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.75 1npg h LYS 118 CO 0.07 0.18 -0.99 0.72 -0.57 0.00 0.00 179.45 178.87 1npg n HIS 119 N -2.90 1.87 -1.69 -1.35 8.25 -0.29 -5.09 115.22 114.03 1npg n HIS 119 Ca -0.02 -3.50 -0.44 0.00 -0.26 0.00 0.00 57.72 53.50 1npg n HIS 119 Cb 0.68 -0.37 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 1npg n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1npg n PRO 120 N -0.05 2.53 -0.68 -0.41 -0.04 -0.86 -0.87 135.00 134.62 1npg n PRO 120 Ca 0.25 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.63 1npg n PRO 120 Cb 0.63 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1npg n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1npg n GLY 121 N 3.96 1.58 0.19 0.55 0.00 -1.26 -4.83 105.19 105.38 1npg n GLY 121 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1npg n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1npg n ASP 122 N 0.00 2.48 -3.46 1.61 2.03 -0.05 -4.75 116.55 114.42 1npg n ASP 122 Ca 0.00 -3.13 -0.27 0.00 0.52 0.00 0.00 54.79 51.92 1npg n ASP 122 Cb 0.00 -0.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.85 1npg n ASP 122 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1npg n PHE 123 N -1.33 0.07 -0.76 -0.67 7.35 -1.20 -5.01 117.46 115.91 1npg n PHE 123 Ca 0.17 -3.55 -0.29 0.00 -0.76 0.00 0.00 57.45 53.02 1npg n PHE 123 Cb 0.67 -0.01 0.24 0.00 0.35 0.00 0.00 39.48 40.73 1npg n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1npg s GLY 124 N -0.49 1.53 0.18 7.13 0.00 -1.26 -4.63 107.32 109.79 1npg s GLY 124 Ca 0.32 -0.34 -0.13 0.00 0.00 0.00 0.00 44.72 44.57 1npg s GLY 124 CO -0.18 0.39 1.73 0.00 0.00 0.00 0.00 173.10 175.05 1npg h ALA 125 N -2.50 0.55 -0.74 3.20 0.00 -2.00 0.41 119.26 118.17 1npg h ALA 125 Ca -0.58 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1npg h ALA 125 Cb 1.34 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1npg h ALA 125 CO 0.51 -0.28 0.27 0.38 0.00 0.00 0.00 179.25 180.13 1npg h ASP 126 N 0.27 1.04 -0.35 0.00 3.04 -1.99 -0.90 116.42 117.55 1npg h ASP 126 Ca 0.23 -0.19 -0.03 0.00 -3.24 0.00 0.00 57.03 53.81 1npg h ASP 126 Cb 0.28 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1npg h ASP 126 CO -0.28 0.95 0.11 0.00 -2.04 0.00 0.00 179.24 177.98 1npg h ALA 127 N 1.14 0.45 -0.52 4.15 0.00 -1.69 -1.02 119.26 121.77 1npg h ALA 127 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1npg h ALA 127 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1npg h ALA 127 CO -0.02 0.09 0.03 0.37 0.00 0.00 0.00 179.25 179.72 1npg h GLN 128 N 0.41 0.86 -0.53 0.00 4.15 -0.82 -0.91 115.11 118.27 1npg h GLN 128 Ca 0.11 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1npg h GLN 128 Cb 0.25 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1npg h GLN 128 CO -0.00 0.84 0.28 0.78 -1.93 0.00 0.00 178.83 178.79 1npg h GLY 129 N 0.99 0.81 0.72 2.39 0.00 -0.86 0.17 103.07 107.29 1npg h GLY 129 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1npg h GLY 129 CO 0.02 0.37 -0.06 0.00 0.00 0.00 0.00 176.54 176.86 1npg h ALA 130 N 1.11 0.17 -0.59 3.60 0.00 -0.94 -2.03 119.26 120.58 1npg h ALA 130 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1npg h ALA 130 Cb 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1npg h ALA 130 CO -0.03 -0.04 0.25 1.98 0.00 0.00 0.00 179.25 181.40 1npg h MET 131 N -0.09 0.85 -0.27 0.00 -1.53 -1.11 -1.08 114.93 111.70 1npg h MET 131 Ca 0.03 -0.13 -0.02 0.00 -3.44 0.00 0.00 59.70 56.14 1npg h MET 131 Cb 0.52 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 1npg h MET 131 CO 0.02 0.69 0.10 1.15 0.14 0.00 0.00 176.91 179.01 1npg h THR 132 N 0.84 1.18 -0.74 -0.77 2.02 -0.87 -1.32 112.91 113.24 1npg h THR 132 Ca 0.20 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1npg h THR 132 Cb 0.15 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1npg h THR 132 CO -0.02 0.18 0.43 0.11 0.37 0.00 0.00 175.52 176.59 1npg h LYS 133 N 0.28 1.01 -0.53 6.66 1.57 -0.88 -0.86 116.57 123.81 1npg h LYS 133 Ca 0.09 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1npg h LYS 133 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1npg h LYS 133 CO -0.01 0.73 -0.08 0.00 -0.57 0.00 0.00 179.45 179.52 1npg h ALA 134 N 1.44 0.84 -0.12 3.86 0.00 -0.90 -0.95 119.26 123.44 1npg h ALA 134 Ca 0.26 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1npg h ALA 134 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1npg h ALA 134 CO -0.05 0.66 -0.54 -0.07 0.00 0.00 0.00 179.25 179.25 1npg h LEU 135 N 0.88 0.38 -0.48 0.00 3.38 -0.80 -1.82 115.31 116.85 1npg h LEU 135 Ca 0.14 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1npg h LEU 135 Cb 0.63 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1npg h LEU 135 CO 0.04 0.85 -0.42 -0.33 0.09 0.00 0.00 178.44 178.67 1npg h GLU 136 N 0.26 0.79 -0.16 1.13 5.08 -0.99 0.42 114.58 121.11 1npg h GLU 136 Ca 0.00 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1npg h GLU 136 Cb 1.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1npg h GLU 136 CO 0.09 1.06 0.08 1.25 -1.00 0.00 0.00 179.01 180.49 1npg h LEU 137 N 0.64 0.21 -0.02 1.33 5.85 -1.03 0.52 115.31 122.82 1npg h LEU 137 Ca 0.05 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1npg h LEU 137 Cb 0.98 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1npg h LEU 137 CO 0.09 0.27 -0.20 0.15 -0.34 0.00 0.00 178.44 178.41 1npg h PHE 138 N 0.14 -0.53 -0.68 1.25 3.57 -1.20 -0.42 116.94 119.08 1npg h PHE 138 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1npg h PHE 138 Cb 0.11 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1npg h PHE 138 CO -0.03 -0.28 0.42 -0.09 -2.23 0.00 0.00 178.31 176.10 1npg h ARG 139 N -0.31 0.91 -0.36 1.11 2.43 -0.63 -2.04 114.38 115.48 1npg h ARG 139 Ca 0.06 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1npg h ARG 139 Cb 0.40 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1npg h ARG 139 CO -0.20 0.64 -0.24 -0.97 -1.51 0.00 0.00 179.97 177.69 1npg h ASN 140 N 0.92 0.72 0.54 -3.80 -1.24 0.43 -0.42 115.58 112.74 1npg h ASN 140 Ca 0.24 -0.26 -0.13 0.00 0.71 0.00 0.00 56.30 56.87 1npg h ASN 140 Cb -0.05 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 1npg h ASN 140 CO -0.05 0.94 -0.58 0.44 -1.29 0.00 0.00 177.43 176.89 1npg h ASP 141 N 0.62 0.05 -0.18 1.15 3.32 -0.89 -1.70 116.42 118.79 1npg h ASP 141 Ca 0.09 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 1npg h ASP 141 Cb 0.73 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1npg h ASP 141 CO 0.06 0.62 -0.62 0.40 -1.72 0.00 0.00 179.24 177.98 1npg h ILE 142 N 0.03 1.29 -0.71 0.35 2.04 -1.10 -2.99 117.51 116.42 1npg h ILE 142 Ca -0.01 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.04 1npg h ILE 142 Cb 1.04 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 1npg h ILE 142 CO 0.08 0.59 0.47 0.00 0.00 0.00 0.00 178.15 179.28 1npg h ALA 143 N 0.71 1.51 -0.73 1.87 0.00 -0.72 -0.21 119.26 121.69 1npg h ALA 143 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1npg h ALA 143 Cb 1.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1npg h ALA 143 CO 0.13 0.45 0.23 0.00 0.00 0.00 0.00 179.25 180.05 1npg h ALA 144 N 1.56 1.03 -0.17 0.00 0.00 -1.19 -0.84 119.26 119.66 1npg h ALA 144 Ca 0.26 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1npg h ALA 144 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1npg h ALA 144 CO -0.06 0.65 -0.46 0.87 0.00 0.00 0.00 179.25 180.25 1npg h LYS 145 N 1.08 0.42 -0.46 0.00 1.79 -1.12 -2.43 116.57 115.84 1npg h LYS 145 Ca 0.24 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1npg h LYS 145 Cb 0.30 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1npg h LYS 145 CO -0.01 0.80 0.15 1.88 -1.08 0.00 0.00 179.45 181.19 1npg h TYR 146 N 0.34 0.74 -0.63 -1.35 -1.99 -0.57 -2.11 116.97 111.40 1npg h TYR 146 Ca 0.02 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 1npg h TYR 146 Cb 0.94 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.43 1npg h TYR 146 CO 0.03 0.66 0.24 -0.22 -0.00 0.00 0.00 178.16 178.87 1npg h LYS 147 N 0.61 0.92 -0.28 4.88 3.64 -1.02 0.14 116.57 125.45 1npg h LYS 147 Ca 0.15 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1npg h LYS 147 Cb 0.26 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1npg h LYS 147 CO -0.01 0.75 0.04 1.49 -2.27 0.00 0.00 179.45 179.46 1npg h GLU 148 N 0.90 0.13 0.00 1.90 4.81 -1.05 -1.25 114.58 120.02 1npg h GLU 148 Ca 0.21 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1npg h GLU 148 Cb 0.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1npg h GLU 148 CO -0.02 0.09 0.00 1.28 -0.73 0.00 0.00 179.01 179.63 1npg n LEU 149 N -5.11 0.34 -1.04 1.64 4.77 -0.82 -4.90 117.00 111.88 1npg n LEU 149 Ca -0.00 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 1npg n LEU 149 Cb 0.13 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1npg n LEU 149 CO 0.25 -0.19 -0.12 0.61 -1.33 0.00 0.00 177.39 176.61 1npg n GLY 150 N 0.91 0.40 3.80 -0.72 0.00 0.39 -4.99 105.19 104.98 1npg n GLY 150 Ca 0.05 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1npg n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1npg s PHE 151 N -2.47 3.81 0.00 1.61 5.36 -0.56 -5.01 117.98 120.72 1npg s PHE 151 Ca 0.00 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1npg s PHE 151 Cb 0.00 -2.53 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1npg s PHE 151 CO 0.00 0.57 0.40 1.04 -1.46 0.00 0.00 175.22 175.77