#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqp s HIS 2 N 0.00 3.11 -0.00 3.52 5.65 -1.26 -4.42 115.29 121.89 1nqp s HIS 2 Ca 0.00 -0.16 0.08 0.00 0.25 0.00 0.00 55.06 55.23 1nqp s HIS 2 Cb 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 32.58 29.38 1nqp s HIS 2 CO 0.00 0.04 -0.25 -0.51 -0.65 0.00 0.00 174.74 173.37 1nqp s LEU 3 N 0.35 2.08 0.87 8.88 1.43 -1.26 -5.09 118.68 125.94 1nqp s LEU 3 Ca -0.02 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1nqp s LEU 3 Cb -0.13 -1.26 0.11 0.00 0.03 0.00 0.00 46.19 44.94 1nqp s LEU 3 CO 0.02 0.29 1.09 0.42 0.23 0.00 0.00 176.35 178.40 1nqp s THR 4 N -0.64 2.80 0.28 5.49 -4.23 -1.26 -4.70 115.64 113.38 1nqp s THR 4 Ca 0.10 0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1nqp s THR 4 Cb -0.10 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.24 1nqp s THR 4 CO -0.00 -0.34 1.88 -0.65 -0.54 0.00 0.00 174.62 174.97 1nqp h PRO 5 N -1.43 1.08 -0.44 3.99 0.11 -2.00 0.31 132.00 133.62 1nqp h PRO 5 Ca -0.48 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1nqp h PRO 5 Cb 1.27 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1nqp h PRO 5 CO 0.55 0.72 0.15 1.49 -0.21 0.00 0.00 178.00 180.70 1nqp h GLU 6 N 1.12 0.68 -0.38 1.05 4.81 -1.99 -1.27 114.58 118.59 1nqp h GLU 6 Ca 0.44 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1nqp h GLU 6 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1nqp h GLU 6 CO -0.18 0.64 0.12 0.93 -0.73 0.00 0.00 179.01 179.79 1nqp h GLU 7 N 0.57 0.58 -0.52 1.92 5.08 -1.68 -1.14 114.58 119.39 1nqp h GLU 7 Ca 0.14 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1nqp h GLU 7 Cb 0.24 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1nqp h GLU 7 CO -0.01 0.59 0.32 0.87 -1.00 0.00 0.00 179.01 179.78 1nqp h LYS 8 N 0.46 0.70 -0.37 2.33 1.57 -0.84 0.85 116.57 121.26 1nqp h LYS 8 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nqp h LYS 8 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1nqp h LYS 8 CO -0.00 0.50 0.22 1.03 -0.57 0.00 0.00 179.45 180.63 1nqp h SER 9 N 0.70 0.45 -0.37 0.86 0.87 -1.09 -0.82 113.55 114.15 1nqp h SER 9 Ca 0.19 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1nqp h SER 9 Cb -0.03 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1nqp h SER 9 CO -0.04 0.37 -0.14 0.00 -0.53 0.00 0.00 176.83 176.49 1nqp h ALA 10 N 1.09 0.91 -0.21 6.23 0.00 -0.89 -1.04 119.26 125.35 1nqp h ALA 10 Ca 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nqp h ALA 10 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nqp h ALA 10 CO -0.02 0.63 -0.04 0.28 0.00 0.00 0.00 179.25 180.09 1nqp h VAL 11 N 0.74 1.28 -0.70 0.00 2.07 -0.64 -2.45 116.25 116.55 1nqp h VAL 11 Ca 0.12 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1nqp h VAL 11 Cb 0.65 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1nqp h VAL 11 CO 0.05 0.30 0.18 0.74 0.02 0.00 0.00 177.57 178.86 1nqp h THR 12 N 0.13 1.26 -0.84 2.57 2.02 -1.08 -1.55 112.91 115.42 1nqp h THR 12 Ca 0.05 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1nqp h THR 12 Cb 0.48 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1nqp h THR 12 CO 0.02 0.37 0.50 0.00 0.37 0.00 0.00 175.52 176.77 1nqp h ALA 13 N 1.09 1.08 -0.15 6.16 0.00 -1.14 -1.86 119.26 124.43 1nqp h ALA 13 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1nqp h ALA 13 Cb 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nqp h ALA 13 CO 0.00 0.55 -0.33 1.25 0.00 0.00 0.00 179.25 180.72 1nqp h LEU 14 N 1.16 0.55 -1.97 0.00 5.85 -1.22 -3.18 115.31 116.50 1nqp h LEU 14 Ca 0.30 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1nqp h LEU 14 Cb -0.02 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1nqp h LEU 14 CO -0.05 1.01 0.05 -0.25 -0.34 0.00 0.00 178.44 178.86 1nqp h TRP 15 N 0.11 0.04 0.00 1.25 2.91 -1.08 -1.43 115.95 117.75 1nqp h TRP 15 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1nqp h TRP 15 Cb 0.93 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.56 1nqp h TRP 15 CO 0.10 0.03 -0.08 0.78 -1.03 0.00 0.00 178.44 178.24 1nqp h GLY 16 N 0.05 0.00 -0.02 2.65 0.00 -1.32 -1.86 103.07 102.57 1nqp h GLY 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1nqp h GLY 16 CO -0.00 0.00 -0.16 0.28 0.00 0.00 0.00 176.54 176.66 1nqp n LYS 17 N -3.85 1.14 -2.22 4.80 5.02 -0.54 -4.91 118.16 117.60 1nqp n LYS 17 Ca -0.02 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.18 1nqp n LYS 17 Cb 0.18 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1nqp n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nqp s VAL 18 N -2.32 3.38 -0.63 -0.18 1.01 -0.70 -4.95 120.40 116.01 1nqp s VAL 18 Ca 0.29 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.02 1nqp s VAL 18 Cb 0.20 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1nqp s VAL 18 CO 0.45 0.10 1.27 0.21 0.00 0.00 0.00 175.10 177.13 1nqp s ASN 19 N 0.92 6.28 0.65 3.32 3.84 -1.26 -4.88 114.94 123.79 1nqp s ASN 19 Ca 0.62 -0.03 0.42 0.00 0.21 0.00 0.00 52.86 54.08 1nqp s ASN 19 Cb -0.36 -2.55 2.24 0.00 -0.55 0.00 0.00 41.25 40.02 1nqp s ASN 19 CO 0.32 -1.66 2.31 -0.37 -2.79 0.00 0.00 177.10 174.91 1nqp h VAL 20 N 6.17 0.03 0.00 -5.21 -1.51 -1.95 -1.26 116.25 112.52 1nqp h VAL 20 Ca -0.26 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1nqp h VAL 20 Cb 1.06 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1nqp h VAL 20 CO 1.22 0.00 -0.69 0.47 -1.23 0.00 0.00 177.57 177.33 1nqp n ASP 21 N -3.11 0.68 0.00 4.19 8.00 -1.26 -4.62 116.55 120.42 1nqp n ASP 21 Ca -0.02 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1nqp n ASP 21 Cb 0.11 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1nqp n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nqp n GLU 22 N -2.08 1.44 -0.27 -1.24 -0.58 -0.89 -4.74 120.64 112.28 1nqp n GLU 22 Ca 0.03 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.78 1nqp n GLU 22 Cb 0.44 -0.97 0.14 0.00 -0.57 0.00 0.00 31.44 30.48 1nqp n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nqp h VAL 23 N 0.00 0.92 -0.61 2.62 2.07 -1.51 -1.69 116.25 118.05 1nqp h VAL 23 Ca 0.00 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1nqp h VAL 23 Cb 0.93 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1nqp h VAL 23 CO 0.00 0.13 0.19 1.23 0.02 0.00 0.00 177.57 179.14 1nqp h GLY 24 N 0.73 1.00 1.43 2.17 0.00 -1.81 -1.19 103.07 105.40 1nqp h GLY 24 Ca 0.36 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1nqp h GLY 24 CO -0.23 0.53 -0.19 -1.33 0.00 0.00 0.00 176.54 175.32 1nqp h GLY 25 N 1.02 0.72 1.69 4.60 0.00 -1.53 -0.83 103.07 108.73 1nqp h GLY 25 Ca 0.20 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1nqp h GLY 25 CO -0.01 0.52 -0.56 0.50 0.00 0.00 0.00 176.54 177.00 1nqp h LYS 26 N 0.59 0.33 0.05 4.80 1.57 -0.94 0.25 116.57 123.22 1nqp h LYS 26 Ca 0.09 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1nqp h LYS 26 Cb 0.65 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1nqp h LYS 26 CO 0.05 0.80 -0.03 0.00 -0.57 0.00 0.00 179.45 179.70 1nqp h ALA 27 N 1.16 -0.07 -0.42 3.86 0.00 -0.98 -1.43 119.26 121.38 1nqp h ALA 27 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1nqp h ALA 27 Cb 1.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1nqp h ALA 27 CO 0.09 -0.30 0.18 1.25 0.00 0.00 0.00 179.25 180.48 1nqp h LEU 28 N -0.56 0.57 -0.40 0.00 5.85 -1.12 -1.63 115.31 118.02 1nqp h LEU 28 Ca -0.01 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1nqp h LEU 28 Cb 0.49 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1nqp h LEU 28 CO 0.01 0.56 0.19 1.23 -0.34 0.00 0.00 178.44 180.10 1nqp h GLY 29 N 0.54 0.55 1.81 3.75 0.00 -0.53 -1.50 103.07 107.68 1nqp h GLY 29 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1nqp h GLY 29 CO -0.01 0.09 -0.24 3.21 0.00 0.00 0.00 176.54 179.59 1nqp h ARG 30 N 0.39 0.23 -0.21 4.80 3.08 -1.07 -1.26 114.38 120.35 1nqp h ARG 30 Ca 0.18 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1nqp h ARG 30 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1nqp h ARG 30 CO -0.13 0.46 0.12 1.25 -1.07 0.00 0.00 179.97 180.60 1nqp h LEU 31 N 0.21 0.26 -1.65 3.04 5.85 -0.54 0.26 115.31 122.75 1nqp h LEU 31 Ca 0.04 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1nqp h LEU 31 Cb 0.54 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1nqp h LEU 31 CO 0.04 0.26 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.15 1nqp h LEU 32 N 0.24 0.00 0.09 2.25 3.38 -0.82 -0.44 115.31 120.01 1nqp h LEU 32 Ca 0.07 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 1nqp h LEU 32 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1nqp h LEU 32 CO -0.01 0.18 -1.07 0.58 0.09 0.00 0.00 178.44 178.21 1nqp h VAL 33 N 0.00 1.22 0.00 1.22 2.07 -0.82 -3.26 116.25 116.67 1nqp h VAL 33 Ca -0.00 -2.39 -0.17 0.00 0.82 0.00 0.00 66.70 64.96 1nqp h VAL 33 Cb 0.33 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1nqp h VAL 33 CO 0.02 0.63 -0.81 0.58 0.02 0.00 0.00 177.57 178.02 1nqp h VAL 34 N -0.52 1.58 -2.32 2.57 2.07 -0.48 -3.36 116.25 115.79 1nqp h VAL 34 Ca -0.24 -2.79 -0.59 0.00 0.82 0.00 0.00 66.70 63.91 1nqp h VAL 34 Cb 1.56 2.51 -0.40 0.00 -1.52 0.00 0.00 31.29 33.43 1nqp h VAL 34 CO 0.03 0.80 -0.81 -1.22 0.02 0.00 0.00 177.57 176.38 1nqp n TYR 35 N -3.57 1.63 -0.42 1.57 4.01 -0.18 -5.00 117.16 115.20 1nqp n TYR 35 Ca -0.01 -3.87 0.38 0.00 -0.16 0.00 0.00 57.90 54.25 1nqp n TYR 35 Cb 0.78 -0.38 0.74 0.00 -0.31 0.00 0.00 39.34 40.18 1nqp n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1nqp h PRO 36 N 4.56 0.04 0.00 -0.72 0.13 -1.71 -1.59 132.00 132.70 1nqp h PRO 36 Ca 0.16 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1nqp h PRO 36 Cb 0.78 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1nqp h PRO 36 CO 0.63 0.03 -0.05 0.11 -0.23 0.00 0.00 178.00 178.48 1nqp h TRP 37 N 0.04 0.00 0.00 1.56 0.09 -1.92 -1.42 115.95 114.30 1nqp h TRP 37 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.65 1nqp h TRP 37 Cb 2.56 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.80 1nqp h TRP 37 CO -0.00 0.05 0.00 1.79 0.09 0.00 0.00 178.44 180.37 1nqp h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.61 -1.77 112.91 111.00 1nqp h THR 38 Ca -0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1nqp h THR 38 Cb 0.18 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1nqp h THR 38 CO 0.01 0.00 -0.06 1.56 -0.25 0.00 0.00 175.52 176.78 1nqp h GLN 39 N 0.00 0.00 -0.10 4.72 4.20 -1.46 -2.52 115.11 119.95 1nqp h GLN 39 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1nqp h GLN 39 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1nqp h GLN 39 CO 0.00 0.06 0.08 -0.09 -0.67 0.00 0.00 178.83 178.20 1nqp h ARG 40 N 0.00 0.00 -0.00 1.46 2.43 -1.52 -0.39 114.38 116.36 1nqp h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nqp h ARG 40 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1nqp h ARG 40 CO 0.01 0.00 -0.03 1.19 -1.51 0.00 0.00 179.97 179.62 1nqp n PHE 41 N -4.42 0.00 -2.19 2.20 3.72 -0.95 -3.87 117.46 111.96 1nqp n PHE 41 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1nqp n PHE 41 Cb 0.19 -0.46 0.05 0.00 -0.94 0.00 0.00 39.48 38.32 1nqp n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1nqp n PHE 42 N -1.47 1.90 0.26 1.38 3.72 -0.16 -4.84 117.46 118.25 1nqp n PHE 42 Ca 0.08 -2.02 0.15 0.00 -0.05 0.00 0.00 57.45 55.60 1nqp n PHE 42 Cb 0.33 -0.29 0.73 0.00 -0.94 0.00 0.00 39.48 39.31 1nqp n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1nqp h GLU 43 N 2.07 0.00 -0.01 -1.08 4.11 -1.65 -1.62 114.58 116.40 1nqp h GLU 43 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1nqp h GLU 43 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1nqp h GLU 43 CO 0.49 0.00 -0.17 -1.13 0.07 0.00 0.00 179.01 178.27 1nqp n SER 44 N -2.54 1.07 -0.02 3.06 3.41 -1.26 -3.94 113.62 113.40 1nqp n SER 44 Ca -0.01 -1.01 0.16 0.00 -0.26 0.00 0.00 58.87 57.75 1nqp n SER 44 Cb 0.11 0.07 0.90 0.00 -0.26 0.00 0.00 64.21 65.03 1nqp n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1nqp n PHE 45 N -0.48 0.00 -1.09 7.33 3.01 -0.61 -5.02 117.46 120.61 1nqp n PHE 45 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1nqp n PHE 45 Cb 0.34 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1nqp n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nqp n GLY 46 N 1.06 0.57 3.62 1.37 0.00 -1.25 -4.77 105.19 105.79 1nqp n GLY 46 Ca 0.22 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 1nqp n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nqp s ASP 47 N -4.00 6.40 -0.07 1.61 2.15 -1.26 -4.81 116.67 116.70 1nqp s ASP 47 Ca 0.00 1.33 0.13 0.00 0.43 0.00 0.00 52.55 54.44 1nqp s ASP 47 Cb 0.00 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.33 1nqp s ASP 47 CO 0.00 -1.28 1.11 0.18 -0.17 0.00 0.00 175.17 175.01 1nqp n LEU 48 N 8.47 1.25 0.23 -1.34 4.77 -1.26 -4.22 117.00 124.90 1nqp n LEU 48 Ca 0.18 -2.22 0.09 0.00 -0.03 0.00 0.00 56.01 54.02 1nqp n LEU 48 Cb 0.46 -0.19 0.56 0.00 -2.33 0.00 0.00 43.42 41.92 1nqp n LEU 48 CO 0.66 0.61 0.87 0.77 -1.33 0.00 0.00 177.39 178.97 1nqp h SER 49 N 0.40 0.00 -5.38 -1.43 4.64 -1.92 -3.44 113.55 106.42 1nqp h SER 49 Ca -0.06 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1nqp h SER 49 Cb 1.36 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.30 1nqp h SER 49 CO 0.02 0.21 -0.62 0.42 -0.87 0.00 0.00 176.83 176.00 1nqp s THR 50 N -4.17 0.12 0.15 2.95 -4.23 -1.26 -5.03 115.64 104.17 1nqp s THR 50 Ca -0.02 -1.83 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 1nqp s THR 50 Cb 0.13 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 72.07 1nqp s THR 50 CO 0.64 -0.54 1.74 -0.65 -0.54 0.00 0.00 174.62 175.28 1nqp h PRO 51 N 2.88 0.24 -0.89 3.99 0.11 -1.98 -0.88 132.00 135.46 1nqp h PRO 51 Ca -0.35 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.79 1nqp h PRO 51 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1nqp h PRO 51 CO 0.59 0.16 0.57 -0.44 -0.21 0.00 0.00 178.00 178.67 1nqp h ASP 52 N 0.25 0.94 -0.69 -2.05 3.32 -1.99 -1.04 116.42 115.16 1nqp h ASP 52 Ca 0.16 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1nqp h ASP 52 Cb 0.15 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1nqp h ASP 52 CO -0.18 0.64 0.26 0.00 -1.72 0.00 0.00 179.24 178.24 1nqp h ALA 53 N 1.38 0.90 0.45 3.45 0.00 -1.75 -1.61 119.26 122.07 1nqp h ALA 53 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1nqp h ALA 53 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nqp h ALA 53 CO -0.13 0.54 -0.21 0.28 0.00 0.00 0.00 179.25 179.72 1nqp h VAL 54 N 0.99 0.53 -0.22 0.00 2.07 -0.50 -1.81 116.25 117.32 1nqp h VAL 54 Ca 0.23 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1nqp h VAL 54 Cb 0.23 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1nqp h VAL 54 CO -0.02 0.05 0.06 0.24 0.02 0.00 0.00 177.57 177.93 1nqp h MET 55 N -0.79 0.30 -0.01 1.57 2.07 -1.18 -2.36 114.93 114.53 1nqp h MET 55 Ca -0.06 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1nqp h MET 55 Cb 0.55 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1nqp h MET 55 CO 0.10 0.28 -0.11 0.41 1.07 0.00 0.00 176.91 178.66 1nqp n GLY 56 N -1.27 -0.04 3.66 8.32 0.00 -0.61 -4.83 105.19 110.42 1nqp n GLY 56 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1nqp n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqp s ASN 57 N -2.18 6.70 0.38 1.61 3.84 -0.68 -4.91 114.94 119.70 1nqp s ASN 57 Ca 0.31 2.20 0.07 0.00 0.21 0.00 0.00 52.86 55.66 1nqp s ASN 57 Cb 0.20 -2.54 0.80 0.00 -0.55 0.00 0.00 41.25 39.16 1nqp s ASN 57 CO 0.40 -0.90 1.99 1.55 -2.79 0.00 0.00 177.10 177.35 1nqp h PRO 58 N 9.25 0.65 -0.15 0.43 0.13 -1.90 -1.91 132.00 138.51 1nqp h PRO 58 Ca -0.38 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 1nqp h PRO 58 Cb 1.17 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1nqp h PRO 58 CO 0.95 0.43 -0.36 0.87 -0.23 0.00 0.00 178.00 179.66 1nqp h LYS 59 N 0.67 0.32 -0.31 0.86 1.57 -1.91 -1.04 116.57 116.73 1nqp h LYS 59 Ca 0.27 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1nqp h LYS 59 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1nqp h LYS 59 CO -0.08 0.64 -0.06 0.28 -0.57 0.00 0.00 179.45 179.66 1nqp h VAL 60 N 0.27 1.28 -0.29 0.50 2.07 -1.66 -0.99 116.25 117.43 1nqp h VAL 60 Ca 0.03 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1nqp h VAL 60 Cb 0.77 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1nqp h VAL 60 CO 0.06 0.35 0.04 0.11 0.02 0.00 0.00 177.57 178.15 1nqp h LYS 61 N 0.36 0.49 -0.31 1.57 1.57 -1.32 0.16 116.57 119.10 1nqp h LYS 61 Ca 0.08 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1nqp h LYS 61 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1nqp h LYS 61 CO 0.03 0.60 0.18 0.00 -0.57 0.00 0.00 179.45 179.69 1nqp h ALA 62 N 0.87 0.38 -0.38 3.86 0.00 -1.16 -1.38 119.26 121.45 1nqp h ALA 62 Ca 0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1nqp h ALA 62 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1nqp h ALA 62 CO 0.01 -0.19 -0.33 1.25 0.00 0.00 0.00 179.25 179.99 1nqp h HIS 63 N 0.36 0.99 -0.09 0.00 -0.00 -1.11 -2.61 115.15 112.68 1nqp h HIS 63 Ca 0.12 -0.27 0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1nqp h HIS 63 Cb 0.01 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.19 1nqp h HIS 63 CO -0.08 1.05 0.07 0.78 -0.00 0.00 0.00 177.93 179.76 1nqp h GLY 64 N 0.89 0.00 1.24 5.26 0.00 -0.25 -0.31 103.07 109.90 1nqp h GLY 64 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1nqp h GLY 64 CO 0.08 0.00 -0.11 1.70 0.00 0.00 0.00 176.54 178.21 1nqp h LYS 65 N 0.00 0.90 -0.50 4.80 3.64 -0.87 -1.03 116.57 123.51 1nqp h LYS 65 Ca 0.05 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 59.01 1nqp h LYS 65 Cb 0.19 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1nqp h LYS 65 CO -0.00 0.96 -0.11 0.87 -2.27 0.00 0.00 179.45 178.90 1nqp h LYS 66 N 0.80 0.95 -0.35 1.90 1.57 -1.05 -1.43 116.57 118.97 1nqp h LYS 66 Ca 0.13 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1nqp h LYS 66 Cb 0.63 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1nqp h LYS 66 CO 0.04 1.02 0.20 0.28 -0.57 0.00 0.00 179.45 180.43 1nqp h VAL 67 N 0.81 1.13 -0.61 0.50 2.07 -1.10 -1.83 116.25 117.22 1nqp h VAL 67 Ca 0.13 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1nqp h VAL 67 Cb 0.66 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1nqp h VAL 67 CO 0.05 0.13 0.25 0.25 0.02 0.00 0.00 177.57 178.26 1nqp h LEU 68 N 0.45 0.80 -1.15 2.57 5.85 -1.07 -1.96 115.31 120.80 1nqp h LEU 68 Ca 0.12 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1nqp h LEU 68 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1nqp h LEU 68 CO -0.02 0.72 0.33 1.23 -0.34 0.00 0.00 178.44 180.36 1nqp h GLY 69 N 0.98 0.99 1.16 3.75 0.00 -0.70 -0.38 103.07 108.87 1nqp h GLY 69 Ca 0.21 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1nqp h GLY 69 CO -0.02 0.43 -0.11 0.00 0.00 0.00 0.00 176.54 176.84 1nqp h ALA 70 N 1.44 0.82 -0.50 3.60 0.00 -0.62 -1.19 119.26 122.82 1nqp h ALA 70 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1nqp h ALA 70 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nqp h ALA 70 CO -0.03 0.66 -0.09 0.74 0.00 0.00 0.00 179.25 180.53 1nqp h PHE 71 N 0.87 0.99 -0.38 0.00 0.04 -0.84 -1.24 116.94 116.37 1nqp h PHE 71 Ca 0.14 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1nqp h PHE 71 Cb 0.66 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1nqp h PHE 71 CO 0.04 0.94 0.23 0.77 -0.60 0.00 0.00 178.31 179.69 1nqp h SER 72 N 0.81 0.46 0.18 2.17 0.02 -0.73 -1.38 113.55 115.08 1nqp h SER 72 Ca 0.14 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1nqp h SER 72 Cb 0.61 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1nqp h SER 72 CO 0.04 0.38 -0.22 0.44 -1.14 0.00 0.00 176.83 176.33 1nqp h ASP 73 N 0.49 0.08 -0.47 3.07 3.45 -1.05 -2.32 116.42 119.68 1nqp h ASP 73 Ca 0.14 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.50 1nqp h ASP 73 Cb 0.01 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1nqp h ASP 73 CO -0.03 0.30 -0.02 1.23 -1.57 0.00 0.00 179.24 179.16 1nqp h GLY 74 N 0.76 0.91 1.49 2.75 0.00 -0.48 -2.82 103.07 105.68 1nqp h GLY 74 Ca 0.01 -0.69 0.07 0.00 0.00 0.00 0.00 47.33 46.73 1nqp h GLY 74 CO 0.03 0.63 0.19 1.41 0.00 0.00 0.00 176.54 178.80 1nqp h LEU 75 N 0.70 0.00 -1.02 3.11 3.38 -0.70 -0.18 115.31 120.59 1nqp h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1nqp h LEU 75 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1nqp h LEU 75 CO 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.44 1nqp n ALA 76 N -2.54 2.78 -2.75 1.53 0.00 -1.08 -4.25 120.51 114.20 1nqp n ALA 76 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 1nqp n ALA 76 Cb 0.34 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.77 1nqp n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nqp n HIS 77 N 0.15 1.27 0.31 0.00 8.25 -0.13 -4.93 115.22 120.14 1nqp n HIS 77 Ca 0.15 -2.40 0.17 0.00 -0.26 0.00 0.00 57.72 55.39 1nqp n HIS 77 Cb 0.41 -0.29 0.99 0.00 1.12 0.00 0.00 29.99 32.23 1nqp n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1nqp h LEU 78 N 2.75 0.00 -1.09 2.41 3.38 -1.60 -1.72 115.31 119.45 1nqp h LEU 78 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1nqp h LEU 78 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1nqp h LEU 78 CO 0.32 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.95 1nqp n ASP 79 N -3.66 1.68 -2.73 -0.43 3.85 -1.26 -1.48 116.55 112.50 1nqp n ASP 79 Ca -0.03 -1.59 -0.04 0.00 -0.71 0.00 0.00 54.79 52.42 1nqp n ASP 79 Cb 0.08 -0.03 0.07 0.00 -1.35 0.00 0.00 41.12 39.89 1nqp n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1nqp n ASN 80 N 0.31 0.55 -0.27 -1.12 5.15 -0.66 -4.91 115.26 114.31 1nqp n ASN 80 Ca 0.18 -2.35 -0.06 0.00 -0.60 0.00 0.00 54.58 51.76 1nqp n ASN 80 Cb 0.37 -0.10 0.08 0.00 -0.53 0.00 0.00 39.78 39.60 1nqp n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1nqp h LEU 81 N 2.40 1.06 -1.55 1.20 3.38 -1.70 -0.56 115.31 119.55 1nqp h LEU 81 Ca -0.19 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1nqp h LEU 81 Cb 1.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1nqp h LEU 81 CO 0.19 0.96 -0.24 0.11 0.09 0.00 0.00 178.44 179.56 1nqp h LYS 82 N 1.11 0.00 0.06 1.13 1.57 -1.91 -0.07 116.57 118.46 1nqp h LYS 82 Ca 0.25 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1nqp h LYS 82 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1nqp h LYS 82 CO -0.02 0.24 -0.38 0.78 -0.57 0.00 0.00 179.45 179.50 1nqp h GLY 83 N 0.78 0.18 0.89 3.86 0.00 -1.87 -2.98 103.07 103.93 1nqp h GLY 83 Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.93 1nqp h GLY 83 CO 0.03 0.37 0.58 -0.84 0.00 0.00 0.00 176.54 176.68 1nqp h THR 84 N -0.66 1.16 -0.55 4.70 2.02 -0.92 -2.72 112.91 115.94 1nqp h THR 84 Ca -0.06 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1nqp h THR 84 Cb 1.28 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1nqp h THR 84 CO 0.07 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.66 1nqp n PHE 85 N -4.52 0.94 -0.08 3.16 3.72 -0.06 -4.58 117.46 116.05 1nqp n PHE 85 Ca 0.11 -0.42 -0.07 0.00 -0.05 0.00 0.00 57.45 57.03 1nqp n PHE 85 Cb 0.08 -0.09 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1nqp n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nqp h ALA 86 N 3.94 0.23 -0.48 4.37 0.00 -1.32 0.18 119.26 126.20 1nqp h ALA 86 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1nqp h ALA 86 Cb 0.94 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1nqp h ALA 86 CO 0.08 -0.44 0.12 1.15 0.00 0.00 0.00 179.25 180.16 1nqp h THR 87 N 0.04 1.24 -0.20 0.00 2.02 -1.82 -2.12 112.91 112.06 1nqp h THR 87 Ca 0.14 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 1nqp h THR 87 Cb 0.21 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1nqp h THR 87 CO -0.28 0.30 -0.17 -0.07 0.37 0.00 0.00 175.52 175.67 1nqp h LEU 88 N 0.64 0.33 -0.38 2.58 3.38 -1.78 -1.86 115.31 118.23 1nqp h LEU 88 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1nqp h LEU 88 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1nqp h LEU 88 CO 0.00 0.53 0.03 -1.28 0.09 0.00 0.00 178.44 177.81 1nqp h SER 89 N 0.32 0.63 -0.59 -0.43 0.87 -0.32 0.17 113.55 114.19 1nqp h SER 89 Ca 0.06 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1nqp h SER 89 Cb 0.49 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1nqp h SER 89 CO 0.03 0.76 0.23 -0.33 -0.53 0.00 0.00 176.83 176.99 1nqp h GLU 90 N 0.47 0.92 0.32 2.24 5.08 -1.11 0.11 114.58 122.62 1nqp h GLU 90 Ca 0.11 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1nqp h GLU 90 Cb 0.42 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1nqp h GLU 90 CO 0.01 0.77 -0.16 1.25 -1.00 0.00 0.00 179.01 179.88 1nqp h LEU 91 N 0.90 -0.37 -0.77 1.33 5.85 -0.96 -1.48 115.31 119.82 1nqp h LEU 91 Ca 0.21 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1nqp h LEU 91 Cb 0.20 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1nqp h LEU 91 CO -0.02 -0.08 -0.57 0.45 -0.34 0.00 0.00 178.44 177.89 1nqp h HIS 92 N -0.67 0.18 0.00 1.25 3.86 -0.84 -0.77 115.15 118.16 1nqp h HIS 92 Ca -0.04 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.00 1nqp h HIS 92 Cb 0.47 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1nqp h HIS 92 CO 0.00 0.68 -0.99 0.00 0.86 0.00 0.00 177.93 178.48 1nqp h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -1.42 -3.01 116.42 114.32 1nqp h ASP 94 Ca -0.15 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.53 1nqp h ASP 94 Cb 0.90 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 1nqp h ASP 94 CO -0.09 0.48 -2.23 0.29 -1.72 0.00 0.00 179.24 175.97 1nqp n LYS 95 N -3.24 0.52 0.11 3.56 5.02 -0.98 -4.69 118.16 118.46 1nqp n LYS 95 Ca 0.02 0.23 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1nqp n LYS 95 Cb 0.71 -1.38 0.02 0.00 -0.02 0.00 0.00 35.03 34.36 1nqp n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nqp h LEU 96 N -0.89 0.00 -1.42 -0.35 3.38 -1.27 -3.49 115.31 111.27 1nqp h LEU 96 Ca -0.57 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 56.99 1nqp h LEU 96 Cb 1.48 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.30 1nqp h LEU 96 CO -0.34 0.03 -0.78 1.41 0.09 0.00 0.00 178.44 178.85 1nqp n HIS 97 N -2.74 -2.21 -2.58 1.13 8.25 -0.85 -4.94 115.22 111.29 1nqp n HIS 97 Ca 0.00 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 1nqp n HIS 97 Cb 0.56 -4.51 -0.03 0.00 1.12 0.00 0.00 29.99 27.14 1nqp n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nqp s VAL 98 N -3.47 4.54 0.25 1.59 1.01 -0.09 -4.97 120.40 119.26 1nqp s VAL 98 Ca 0.25 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.76 1nqp s VAL 98 Cb -0.12 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1nqp s VAL 98 CO 0.79 -0.02 1.62 -0.62 0.00 0.00 0.00 175.10 176.87 1nqp s ASP 99 N 1.29 6.42 0.63 3.32 2.15 -1.26 -4.77 116.67 124.45 1nqp s ASP 99 Ca 0.51 2.87 0.35 0.00 0.43 0.00 0.00 52.55 56.71 1nqp s ASP 99 Cb -0.21 -2.62 1.94 0.00 -0.30 0.00 0.00 42.92 41.73 1nqp s ASP 99 CO 0.19 -0.90 2.18 1.55 -0.17 0.00 0.00 175.17 178.01 1nqp h PRO 100 N 5.64 0.00 -0.17 4.34 0.13 -1.96 -1.69 132.00 138.28 1nqp h PRO 100 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1nqp h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1nqp h PRO 100 CO 0.85 0.00 0.07 1.49 -0.23 0.00 0.00 178.00 180.18 1nqp h GLU 101 N 0.00 0.24 0.00 0.86 4.57 -2.00 -0.74 114.58 117.51 1nqp h GLU 101 Ca 0.03 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1nqp h GLU 101 Cb 0.30 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1nqp h GLU 101 CO -0.00 0.20 -0.18 -0.91 -1.18 0.00 0.00 179.01 176.94 1nqp h ASN 102 N 0.24 0.00 -0.41 1.04 2.35 -1.67 -1.17 115.58 115.96 1nqp h ASN 102 Ca 0.06 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1nqp h ASN 102 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1nqp h ASN 102 CO -0.01 0.18 -0.27 -0.26 -1.65 0.00 0.00 177.43 175.42 1nqp h PHE 103 N 0.00 1.09 -0.45 1.19 0.04 -1.28 -1.57 116.94 115.95 1nqp h PHE 103 Ca -0.00 -0.28 -0.07 0.00 2.80 0.00 0.00 57.97 60.42 1nqp h PHE 103 Cb 0.42 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1nqp h PHE 103 CO 0.00 1.09 0.02 -0.09 -0.60 0.00 0.00 178.31 178.73 1nqp h ARG 104 N 0.79 0.79 -0.24 1.51 2.43 -1.28 -2.34 114.38 116.05 1nqp h ARG 104 Ca 0.09 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1nqp h ARG 104 Cb 0.85 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1nqp h ARG 104 CO 0.07 0.84 0.15 -0.07 -1.51 0.00 0.00 179.97 179.45 1nqp h LEU 105 N 0.64 0.28 -1.13 3.80 3.38 -1.06 -1.47 115.31 119.74 1nqp h LEU 105 Ca 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1nqp h LEU 105 Cb 0.47 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1nqp h LEU 105 CO 0.02 0.23 0.28 0.25 0.09 0.00 0.00 178.44 179.31 1nqp h LEU 106 N 0.31 0.80 -0.61 1.67 5.85 -1.23 0.53 115.31 122.64 1nqp h LEU 106 Ca 0.09 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1nqp h LEU 106 Cb -0.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1nqp h LEU 106 CO -0.02 0.70 0.24 1.23 -0.34 0.00 0.00 178.44 180.25 1nqp h GLY 107 N 0.97 0.98 1.98 3.75 0.00 -1.09 -0.44 103.07 109.22 1nqp h GLY 107 Ca 0.21 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1nqp h GLY 107 CO -0.03 0.51 -0.57 3.43 0.00 0.00 0.00 176.54 179.88 1nqp h ASN 108 N 0.84 0.03 -0.22 0.19 -0.26 -0.63 -1.93 115.58 113.60 1nqp h ASN 108 Ca 0.20 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.79 1nqp h ASN 108 Cb 0.21 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1nqp h ASN 108 CO -0.02 0.60 -0.34 0.58 -1.06 0.00 0.00 177.43 177.19 1nqp h VAL 109 N 0.02 1.28 -0.61 2.81 2.07 -0.55 -1.43 116.25 119.84 1nqp h VAL 109 Ca -0.01 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1nqp h VAL 109 Cb 1.02 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1nqp h VAL 109 CO 0.08 0.49 0.32 0.25 0.02 0.00 0.00 177.57 178.73 1nqp h LEU 110 N 0.62 0.78 -0.71 2.57 5.85 -0.73 -0.26 115.31 123.42 1nqp h LEU 110 Ca 0.06 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1nqp h LEU 110 Cb 0.86 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1nqp h LEU 110 CO 0.08 0.66 0.43 0.58 -0.34 0.00 0.00 178.44 179.84 1nqp h VAL 111 N 0.83 1.20 -0.91 1.05 2.07 -1.06 -0.12 116.25 119.32 1nqp h VAL 111 Ca 0.21 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1nqp h VAL 111 Cb 0.07 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1nqp h VAL 111 CO -0.03 0.21 0.54 0.00 0.02 0.00 0.00 177.57 178.31 1nqp h VAL 113 N 1.25 1.27 -0.48 0.00 2.07 -0.30 0.37 116.25 120.44 1nqp h VAL 113 Ca 0.32 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 1nqp h VAL 113 Cb -0.04 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1nqp h VAL 113 CO -0.06 0.44 -0.08 -0.07 0.02 0.00 0.00 177.57 177.82 1nqp h LEU 114 N 0.59 0.90 -0.78 2.57 3.38 -0.56 -0.69 115.31 120.71 1nqp h LEU 114 Ca 0.08 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1nqp h LEU 114 Cb 0.72 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1nqp h LEU 114 CO 0.06 1.03 0.40 0.00 0.09 0.00 0.00 178.44 180.02 1nqp h ALA 115 N 0.90 1.01 -0.55 1.53 0.00 -0.89 -0.57 119.26 120.69 1nqp h ALA 115 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nqp h ALA 115 Cb 0.62 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1nqp h ALA 115 CO 0.04 0.55 0.32 1.25 0.00 0.00 0.00 179.25 181.41 1nqp h HIS 116 N 1.10 0.73 -0.02 0.00 6.17 -0.55 -0.44 115.15 122.15 1nqp h HIS 116 Ca 0.27 -0.01 -0.21 0.00 0.71 0.00 0.00 60.37 61.14 1nqp h HIS 116 Cb 0.08 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 29.77 1nqp h HIS 116 CO 0.01 0.52 -0.87 0.45 0.71 0.00 0.00 177.93 178.75 1nqp h HIS 117 N 0.74 0.49 -0.06 5.26 -0.00 -0.79 -3.37 115.15 117.41 1nqp h HIS 117 Ca 0.20 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1nqp h HIS 117 Cb 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1nqp h HIS 117 CO -0.02 1.05 0.00 1.19 -0.00 0.00 0.00 177.93 180.15 1nqp n PHE 118 N -3.74 0.07 0.00 2.45 3.72 -0.25 -5.06 117.46 114.64 1nqp n PHE 118 Ca -0.05 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1nqp n PHE 118 Cb 0.79 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 1nqp n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqp n GLY 119 N 0.52 2.47 0.44 1.37 0.00 -0.18 -1.33 105.19 108.48 1nqp n GLY 119 Ca 0.06 0.18 0.26 0.00 0.00 0.00 0.00 46.02 46.52 1nqp n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nqp h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.75 116.57 119.06 1nqp h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1nqp h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1nqp h LYS 120 CO 0.00 0.00 -0.14 0.93 -2.00 0.00 0.00 179.45 178.24 1nqp h GLU 121 N 0.00 0.00 -3.44 0.07 5.08 -1.61 -3.23 114.58 111.46 1nqp h GLU 121 Ca 0.36 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.99 1nqp h GLU 121 Cb 1.52 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.66 1nqp h GLU 121 CO -0.00 0.14 2.56 0.34 -1.00 0.00 0.00 179.01 181.05 1nqp n PHE 122 N -3.58 2.98 -1.03 4.33 7.35 0.26 -4.91 117.46 122.85 1nqp n PHE 122 Ca -0.01 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.51 1nqp n PHE 122 Cb 0.28 -2.14 0.16 0.00 0.35 0.00 0.00 39.48 38.13 1nqp n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1nqp s THR 123 N 1.06 2.47 0.25 -2.13 -4.23 -1.22 -4.70 115.64 107.13 1nqp s THR 123 Ca 0.47 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1nqp s THR 123 Cb 0.13 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.68 1nqp s THR 123 CO -0.04 -0.20 1.84 -0.65 -0.54 0.00 0.00 174.62 175.03 1nqp h PRO 124 N -1.77 0.92 -0.29 3.99 0.11 -1.93 0.71 132.00 133.74 1nqp h PRO 124 Ca -0.51 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.47 1nqp h PRO 124 Cb 1.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1nqp h PRO 124 CO 0.52 0.61 -0.16 -1.35 -0.21 0.00 0.00 178.00 177.41 1nqp h PRO 125 N 0.95 0.50 -0.50 1.05 0.11 -1.98 -0.46 132.00 131.67 1nqp h PRO 125 Ca 0.39 -0.16 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 1nqp h PRO 125 Cb 0.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1nqp h PRO 125 CO -0.20 0.65 -0.03 0.28 -0.21 0.00 0.00 178.00 178.49 1nqp h VAL 126 N 0.46 1.27 -0.28 3.15 2.07 -1.66 -2.41 116.25 118.85 1nqp h VAL 126 Ca 0.08 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1nqp h VAL 126 Cb 0.55 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1nqp h VAL 126 CO 0.04 0.40 0.15 -0.61 0.02 0.00 0.00 177.57 177.57 1nqp h GLN 127 N 0.76 0.40 -0.90 1.57 4.15 -0.50 -1.86 115.11 118.73 1nqp h GLN 127 Ca 0.14 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.62 1nqp h GLN 127 Cb 0.57 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1nqp h GLN 127 CO 0.03 0.35 0.52 0.00 -1.93 0.00 0.00 178.83 177.80 1nqp h ALA 128 N 1.03 1.33 -0.32 3.38 0.00 -0.92 0.18 119.26 123.93 1nqp h ALA 128 Ca 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nqp h ALA 128 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nqp h ALA 128 CO -0.02 0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.41 1nqp h ALA 129 N 1.51 0.42 -0.07 0.00 0.00 -1.10 -2.65 119.26 117.37 1nqp h ALA 129 Ca 0.45 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1nqp h ALA 129 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nqp h ALA 129 CO -0.28 0.10 -0.26 1.88 0.00 0.00 0.00 179.25 180.69 1nqp h TYR 130 N 0.36 0.13 -0.37 0.00 0.05 -0.41 -2.31 116.97 114.42 1nqp h TYR 130 Ca 0.10 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1nqp h TYR 130 Cb 0.31 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1nqp h TYR 130 CO 0.02 0.38 -0.08 1.96 -1.05 0.00 0.00 178.16 179.39 1nqp h GLN 131 N 0.11 0.62 -0.59 4.88 1.08 -0.44 -0.18 115.11 120.60 1nqp h GLN 131 Ca 0.02 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 1nqp h GLN 131 Cb 0.53 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1nqp h GLN 131 CO 0.04 0.70 0.05 0.87 -0.95 0.00 0.00 178.83 179.54 1nqp h LYS 132 N 0.58 0.99 0.12 1.46 1.57 -1.08 -1.22 116.57 118.98 1nqp h LYS 132 Ca 0.11 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1nqp h LYS 132 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1nqp h LYS 132 CO 0.03 0.94 -0.06 0.28 -0.57 0.00 0.00 179.45 180.07 1nqp h VAL 133 N 0.92 1.04 0.00 0.50 2.07 -1.00 -1.70 116.25 118.09 1nqp h VAL 133 Ca 0.18 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1nqp h VAL 133 Cb 0.47 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1nqp h VAL 133 CO 0.02 0.16 -0.31 -0.37 0.02 0.00 0.00 177.57 177.09 1nqp h VAL 134 N -0.47 1.02 -0.28 2.57 -1.51 -1.03 -0.90 116.25 115.66 1nqp h VAL 134 Ca -0.02 -1.15 -0.15 0.00 -1.23 0.00 0.00 66.70 64.16 1nqp h VAL 134 Cb 0.38 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1nqp h VAL 134 CO 0.03 0.31 -0.42 0.00 -1.23 0.00 0.00 177.57 176.25 1nqp h ALA 135 N 1.69 0.72 -0.38 5.19 0.00 -1.18 -1.07 119.26 124.23 1nqp h ALA 135 Ca -0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1nqp h ALA 135 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nqp h ALA 135 CO 0.04 0.66 -0.11 0.78 0.00 0.00 0.00 179.25 180.63 1nqp h GLY 136 N 0.95 0.81 0.96 0.00 0.00 -0.46 -1.04 103.07 104.29 1nqp h GLY 136 Ca 0.04 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1nqp h GLY 136 CO 0.09 0.62 0.07 -2.08 0.00 0.00 0.00 176.54 175.24 1nqp h VAL 137 N 0.55 1.25 -0.69 4.60 2.07 -1.13 -1.38 116.25 121.52 1nqp h VAL 137 Ca 0.09 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1nqp h VAL 137 Cb 0.63 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1nqp h VAL 137 CO 0.04 0.32 0.44 0.00 0.02 0.00 0.00 177.57 178.39 1nqp h ALA 138 N 0.94 0.87 -0.71 1.67 0.00 -1.10 -0.75 119.26 120.19 1nqp h ALA 138 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1nqp h ALA 138 Cb 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nqp h ALA 138 CO 0.01 0.31 0.20 -0.97 0.00 0.00 0.00 179.25 178.80 1nqp h ASN 139 N 0.93 1.05 -0.52 0.00 -0.73 -1.00 -1.87 115.58 113.45 1nqp h ASN 139 Ca 0.25 -0.22 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 1nqp h ASN 139 Cb -0.09 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.21 1nqp h ASN 139 CO -0.05 0.99 -0.12 0.00 -0.37 0.00 0.00 177.43 177.88 1nqp h ALA 140 N 1.10 0.79 -0.07 1.57 0.00 -0.82 -2.17 119.26 119.66 1nqp h ALA 140 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1nqp h ALA 140 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nqp h ALA 140 CO -0.00 0.67 -0.41 -0.07 0.00 0.00 0.00 179.25 179.43 1nqp h LEU 141 N 0.89 0.15 -1.38 0.00 3.38 -0.98 -2.76 115.31 114.62 1nqp h LEU 141 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nqp h LEU 141 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1nqp h LEU 141 CO 0.05 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1nqp n ALA 142 N -2.47 2.46 -0.35 1.53 0.00 -0.72 -4.44 120.51 116.53 1nqp n ALA 142 Ca -0.02 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.88 1nqp n ALA 142 Cb 0.47 -1.01 0.29 0.00 0.00 0.00 0.00 19.45 19.20 1nqp n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nqp h HIS 143 N 2.38 1.07 0.00 0.00 6.17 -1.09 0.68 115.15 124.36 1nqp h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1nqp h HIS 143 Cb 0.54 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1nqp h HIS 143 CO 0.21 0.30 0.00 1.63 0.71 0.00 0.00 177.93 180.78 1nqp n LYS 144 N -4.73 0.07 0.00 5.26 4.76 -1.26 -0.47 118.16 121.78 1nqp n LYS 144 Ca 0.22 0.48 0.12 0.00 -2.87 0.00 0.00 58.31 56.26 1nqp n LYS 144 Cb 0.50 -1.68 0.23 0.00 -1.84 0.00 0.00 35.03 32.24 1nqp n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1nqp n TYR 145 N -1.82 0.00 0.90 2.13 4.01 0.23 -5.05 117.16 117.57 1nqp n TYR 145 Ca 0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1nqp n TYR 145 Cb 0.07 -0.05 0.09 0.00 -0.31 0.00 0.00 39.34 39.14 1nqp n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12