#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqp s LEU 2 N 0.00 4.52 0.67 7.52 1.43 -1.26 -5.08 118.68 126.47 1nqp s LEU 2 Ca 0.00 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.40 1nqp s LEU 2 Cb 0.00 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.24 1nqp s LEU 2 CO 0.00 0.21 0.96 -0.94 0.23 0.00 0.00 176.35 176.82 1nqp s SER 3 N -0.89 5.00 0.25 2.29 1.04 -1.26 -4.91 113.70 115.23 1nqp s SER 3 Ca 0.32 0.44 -0.05 0.00 0.48 0.00 0.00 55.95 57.13 1nqp s SER 3 Cb -0.20 -1.17 0.28 0.00 0.10 0.00 0.00 66.02 65.03 1nqp s SER 3 CO 0.21 -1.45 1.93 -0.65 0.98 0.00 0.00 173.24 174.26 1nqp h PRO 4 N -0.44 1.30 -0.59 4.02 0.11 -2.00 -1.64 132.00 132.76 1nqp h PRO 4 Ca -0.44 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1nqp h PRO 4 Cb 1.30 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1nqp h PRO 4 CO 0.59 0.86 0.07 0.00 -0.21 0.00 0.00 178.00 179.31 1nqp h ALA 5 N 1.38 1.00 -0.49 -0.75 0.00 -1.99 -2.01 119.26 116.40 1nqp h ALA 5 Ca 0.37 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nqp h ALA 5 Cb -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1nqp h ALA 5 CO -0.09 0.63 0.28 -0.44 0.00 0.00 0.00 179.25 179.63 1nqp h ASP 6 N 0.91 0.44 -0.63 0.00 3.32 -1.69 0.71 116.42 119.48 1nqp h ASP 6 Ca 0.18 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1nqp h ASP 6 Cb 0.44 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1nqp h ASP 6 CO 0.01 0.31 0.21 0.11 -1.72 0.00 0.00 179.24 178.16 1nqp h LYS 7 N 0.56 0.98 -0.33 3.56 1.57 -1.11 -0.35 116.57 121.44 1nqp h LYS 7 Ca 0.20 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1nqp h LYS 7 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nqp h LYS 7 CO -0.11 0.86 0.14 1.15 -0.57 0.00 0.00 179.45 180.92 1nqp h THR 8 N 0.91 1.18 -0.25 -0.16 2.02 -0.96 -1.08 112.91 114.56 1nqp h THR 8 Ca 0.21 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1nqp h THR 8 Cb 0.28 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1nqp h THR 8 CO -0.01 0.19 0.12 0.78 0.37 0.00 0.00 175.52 176.98 1nqp h ASN 9 N 0.39 0.19 -0.37 4.18 -0.26 -0.60 -1.88 115.58 117.22 1nqp h ASN 9 Ca 0.11 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.82 1nqp h ASN 9 Cb 0.16 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1nqp h ASN 9 CO -0.01 0.14 0.07 0.58 -1.06 0.00 0.00 177.43 177.16 1nqp h VAL 10 N 0.26 1.23 -0.78 2.81 2.07 -0.94 -1.31 116.25 119.59 1nqp h VAL 10 Ca 0.10 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1nqp h VAL 10 Cb 0.02 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1nqp h VAL 10 CO -0.07 0.28 0.48 0.11 0.02 0.00 0.00 177.57 178.39 1nqp h LYS 11 N 0.46 1.06 -0.03 1.57 1.57 -1.08 0.73 116.57 120.85 1nqp h LYS 11 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nqp h LYS 11 Cb 0.34 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nqp h LYS 11 CO 0.00 0.74 -0.01 0.00 -0.57 0.00 0.00 179.45 179.61 1nqp h ALA 12 N 1.25 0.05 0.05 3.86 0.00 -1.24 -1.52 119.26 121.71 1nqp h ALA 12 Ca 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nqp h ALA 12 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nqp h ALA 12 CO -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 179.25 178.95 1nqp h ALA 13 N 0.61 -0.06 0.00 0.00 0.00 -1.14 -3.06 119.26 115.62 1nqp h ALA 13 Ca 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1nqp h ALA 13 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nqp h ALA 13 CO 0.00 -0.37 -0.27 2.35 0.00 0.00 0.00 179.25 180.96 1nqp h TRP 14 N -0.38 0.00 -0.00 0.00 2.91 -0.96 -2.33 115.95 115.19 1nqp h TRP 14 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1nqp h TRP 14 Cb 0.35 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1nqp h TRP 14 CO 0.03 0.27 0.00 0.78 -1.03 0.00 0.00 178.44 178.49 1nqp h GLY 15 N 0.86 0.00 2.00 2.65 0.00 -1.16 -1.16 103.07 106.26 1nqp h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nqp h GLY 15 CO 0.03 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.07 1nqp h LYS 16 N 0.00 0.00 0.13 4.80 1.79 -1.42 -3.27 116.57 118.61 1nqp h LYS 16 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1nqp h LYS 16 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1nqp h LYS 16 CO -0.00 0.00 -0.07 0.28 -1.08 0.00 0.00 179.45 178.58 1nqp h VAL 17 N 0.00 0.86 0.00 0.50 2.07 -1.35 -3.46 116.25 114.87 1nqp h VAL 17 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1nqp h VAL 17 Cb 0.66 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1nqp h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1nqp n GLY 18 N -1.17 2.92 0.00 2.17 0.00 -1.24 -0.61 105.19 107.26 1nqp n GLY 18 Ca -0.08 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1nqp n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqp n ALA 19 N 10.43 2.05 1.41 4.61 0.00 -1.26 -2.40 120.51 135.35 1nqp n ALA 19 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1nqp n ALA 19 Cb 0.00 -1.31 0.44 0.00 0.00 0.00 0.00 19.45 18.58 1nqp n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nqp n HIS 20 N -1.23 0.15 -0.20 0.00 -0.00 0.22 -4.50 115.22 109.66 1nqp n HIS 20 Ca 0.10 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 1nqp n HIS 20 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 1nqp n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nqp h ALA 21 N 4.00 -0.49 -0.51 -1.41 0.00 -1.59 0.93 119.26 120.18 1nqp h ALA 21 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nqp h ALA 21 Cb 0.39 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1nqp h ALA 21 CO 0.00 -0.91 0.33 0.78 0.00 0.00 0.00 179.25 179.46 1nqp h GLY 22 N -0.27 0.72 0.88 0.00 0.00 -1.82 -0.38 103.07 102.20 1nqp h GLY 22 Ca 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1nqp h GLY 22 CO -0.67 0.27 -0.19 -2.09 0.00 0.00 0.00 176.54 173.85 1nqp h GLU 23 N 0.69 -0.45 -0.63 4.80 4.81 -1.67 0.37 114.58 122.49 1nqp h GLU 23 Ca 0.19 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1nqp h GLU 23 Cb -0.07 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1nqp h GLU 23 CO -0.04 -0.30 0.10 1.88 -0.73 0.00 0.00 179.01 179.93 1nqp h TYR 24 N -0.46 1.12 -0.52 0.92 -1.99 -0.79 -1.17 116.97 114.08 1nqp h TYR 24 Ca -0.02 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.52 1nqp h TYR 24 Cb 0.40 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1nqp h TYR 24 CO -0.10 0.95 0.19 0.78 -0.00 0.00 0.00 178.16 179.97 1nqp h GLY 25 N 0.96 0.84 1.16 3.88 0.00 -0.95 -0.56 103.07 108.40 1nqp h GLY 25 Ca 0.19 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1nqp h GLY 25 CO 0.01 0.44 0.20 0.00 0.00 0.00 0.00 176.54 177.19 1nqp h ALA 26 N 1.04 1.07 -0.34 3.60 0.00 -0.75 -1.45 119.26 122.43 1nqp h ALA 26 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nqp h ALA 26 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nqp h ALA 26 CO -0.01 0.63 0.04 1.49 0.00 0.00 0.00 179.25 181.40 1nqp h GLU 27 N 1.01 0.57 -0.94 0.00 4.81 -0.88 0.22 114.58 119.37 1nqp h GLU 27 Ca 0.22 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1nqp h GLU 27 Cb 0.31 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1nqp h GLU 27 CO -0.01 0.66 0.61 0.00 -0.73 0.00 0.00 179.01 179.54 1nqp h ALA 28 N 0.89 1.19 -0.39 2.92 0.00 -0.89 0.03 119.26 123.02 1nqp h ALA 28 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1nqp h ALA 28 Cb 0.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nqp h ALA 28 CO 0.01 0.60 0.03 -0.07 0.00 0.00 0.00 179.25 179.82 1nqp h LEU 29 N 1.28 0.65 -0.66 0.00 3.38 -0.95 -1.30 115.31 117.70 1nqp h LEU 29 Ca 0.34 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1nqp h LEU 29 Cb -0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1nqp h LEU 29 CO -0.07 0.78 0.25 -0.08 0.09 0.00 0.00 178.44 179.41 1nqp h GLU 30 N 0.50 0.99 -0.64 1.13 4.81 -0.55 0.44 114.58 121.26 1nqp h GLU 30 Ca 0.11 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1nqp h GLU 30 Cb 0.43 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1nqp h GLU 30 CO 0.01 0.84 0.39 0.00 -0.73 0.00 0.00 179.01 179.52 1nqp h ARG 31 N 0.94 0.73 -0.15 1.92 3.08 -0.83 -0.79 114.38 119.28 1nqp h ARG 31 Ca 0.22 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1nqp h ARG 31 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1nqp h ARG 31 CO -0.02 0.49 0.03 1.98 -1.07 0.00 0.00 179.97 181.38 1nqp h MET 32 N 0.76 0.25 -0.60 0.04 4.05 -0.68 -0.70 114.93 118.04 1nqp h MET 32 Ca 0.26 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1nqp h MET 32 Cb 0.05 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1nqp h MET 32 CO -0.12 0.41 0.25 0.74 0.23 0.00 0.00 176.91 178.42 1nqp h PHE 33 N 0.05 0.87 0.07 1.39 0.04 -0.61 0.62 116.94 119.36 1nqp h PHE 33 Ca 0.05 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1nqp h PHE 33 Cb 0.27 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 38.17 1nqp h PHE 33 CO 0.01 0.67 -0.68 -0.07 -0.60 0.00 0.00 178.31 177.63 1nqp h LEU 34 N 0.86 0.49 -0.47 1.54 3.38 -1.10 -3.19 115.31 116.81 1nqp h LEU 34 Ca 0.21 -0.85 -0.17 0.00 0.09 0.00 0.00 57.88 57.15 1nqp h LEU 34 Cb 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1nqp h LEU 34 CO -0.02 1.29 -0.59 0.28 0.09 0.00 0.00 178.44 179.49 1nqp h SER 35 N -0.25 0.63 -2.62 -0.43 0.02 -1.07 -3.38 113.55 106.45 1nqp h SER 35 Ca -0.10 -0.35 -0.60 0.00 -0.84 0.00 0.00 61.79 59.89 1nqp h SER 35 Cb 1.45 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 1nqp h SER 35 CO 0.13 1.08 -0.77 0.49 -1.14 0.00 0.00 176.83 176.61 1nqp n PHE 36 N -3.94 1.41 -0.39 3.45 3.72 0.20 -5.00 117.46 116.93 1nqp n PHE 36 Ca -0.04 -3.85 0.31 0.00 -0.05 0.00 0.00 57.45 53.82 1nqp n PHE 36 Cb 0.63 -0.26 0.61 0.00 -0.94 0.00 0.00 39.48 39.52 1nqp n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1nqp h PRO 37 N 5.22 0.20 -0.01 -1.08 0.11 -1.74 -1.25 132.00 133.44 1nqp h PRO 37 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1nqp h PRO 37 Cb 0.81 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1nqp h PRO 37 CO 0.58 0.13 0.02 1.79 -0.21 0.00 0.00 178.00 180.31 1nqp h THR 38 N 0.20 0.26 0.00 -1.15 1.35 -1.92 -1.51 112.91 110.14 1nqp h THR 38 Ca 0.69 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.55 1nqp h THR 38 Cb 2.12 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1nqp h THR 38 CO -0.29 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.69 1nqp h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.55 -2.76 112.91 116.77 1nqp h THR 39 Ca 0.01 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1nqp h THR 39 Cb 0.05 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1nqp h THR 39 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1nqp h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.47 -2.84 116.57 118.55 1nqp h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nqp h LYS 40 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1nqp h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1nqp h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.68 -0.98 112.91 111.45 1nqp h THR 41 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1nqp h THR 41 Cb 0.41 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1nqp h THR 41 CO 0.00 0.00 -0.20 -1.22 -0.25 0.00 0.00 175.52 173.85 1nqp n TYR 42 N -2.83 0.18 -3.01 4.73 4.01 -1.07 -4.12 117.16 115.05 1nqp n TYR 42 Ca -0.01 0.05 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 1nqp n TYR 42 Cb 0.17 -0.50 -0.04 0.00 -0.31 0.00 0.00 39.34 38.66 1nqp n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1nqp n PHE 43 N -1.66 3.17 -1.75 -0.72 3.01 -0.37 -5.10 117.46 114.05 1nqp n PHE 43 Ca 0.06 -3.96 -0.39 0.00 1.01 0.00 0.00 57.45 54.17 1nqp n PHE 43 Cb 0.36 -0.48 0.03 0.00 -0.01 0.00 0.00 39.48 39.39 1nqp n PHE 43 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1nqp n PRO 44 N -0.09 1.93 -1.51 -1.08 -0.02 -1.25 -2.56 135.00 130.43 1nqp n PRO 44 Ca 0.30 0.70 -0.16 0.00 -2.02 0.00 0.00 63.50 62.31 1nqp n PRO 44 Cb 0.45 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 1nqp n PRO 44 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1nqp n HIS 45 N -0.66 -0.28 -2.88 6.00 8.25 -1.26 -4.95 115.22 119.44 1nqp n HIS 45 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 1nqp n HIS 45 Cb 0.43 -2.92 -0.05 0.00 1.12 0.00 0.00 29.99 28.56 1nqp n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1nqp s PHE 46 N -2.38 3.40 -0.60 4.41 0.40 -1.06 -4.99 117.98 117.16 1nqp s PHE 46 Ca 0.00 1.29 -0.23 0.00 -0.60 0.00 0.00 56.93 57.39 1nqp s PHE 46 Cb 0.00 -2.61 0.05 0.00 0.51 0.00 0.00 43.02 40.97 1nqp s PHE 46 CO 0.00 -0.08 0.93 0.34 0.70 0.00 0.00 175.22 177.12 1nqp s ASP 47 N -2.62 6.25 -0.28 1.36 2.15 -1.26 -4.85 116.67 117.42 1nqp s ASP 47 Ca 0.56 -0.68 0.11 0.00 0.43 0.00 0.00 52.55 52.97 1nqp s ASP 47 Cb -0.10 -2.42 0.63 0.00 -0.30 0.00 0.00 42.92 40.73 1nqp s ASP 47 CO 0.23 -1.31 1.63 0.18 -0.17 0.00 0.00 175.17 175.73 1nqp n LEU 48 N 7.50 5.05 -4.74 -1.34 4.77 -1.26 -4.26 117.00 122.73 1nqp n LEU 48 Ca -0.01 -3.30 -0.30 0.00 -0.03 0.00 0.00 56.01 52.36 1nqp n LEU 48 Cb 0.46 -0.67 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1nqp n LEU 48 CO 0.63 0.88 0.68 -0.94 -1.33 0.00 0.00 177.39 177.31 1nqp s SER 49 N -1.64 3.81 0.18 -1.43 1.04 -1.26 -4.93 113.70 109.46 1nqp s SER 49 Ca 0.49 1.52 -0.31 0.00 0.48 0.00 0.00 55.95 58.13 1nqp s SER 49 Cb 0.41 -2.21 -0.09 0.00 0.10 0.00 0.00 66.02 64.22 1nqp s SER 49 CO 0.09 -2.43 1.48 -2.28 0.98 0.00 0.00 173.24 171.08 1nqp s HIS 50 N -2.96 3.11 0.00 5.02 2.46 -1.26 -1.93 115.29 119.73 1nqp s HIS 50 Ca 0.63 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.99 1nqp s HIS 50 Cb -0.17 -3.82 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 1nqp s HIS 50 CO 0.56 -2.90 0.00 0.41 -2.47 0.00 0.00 174.74 170.35 1nqp n GLY 51 N 3.22 0.44 3.64 1.59 0.00 -1.26 -4.97 105.19 107.85 1nqp n GLY 51 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 1nqp n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nqp n SER 52 N -0.14 2.47 0.03 1.61 2.88 -0.81 -4.88 113.62 114.78 1nqp n SER 52 Ca 0.00 1.11 -0.04 0.00 -1.33 0.00 0.00 58.87 58.62 1nqp n SER 52 Cb 0.07 -1.35 0.20 0.00 -0.75 0.00 0.00 64.21 62.38 1nqp n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nqp h ALA 53 N 4.87 1.08 -0.53 -1.46 0.00 -1.90 -1.93 119.26 119.39 1nqp h ALA 53 Ca -0.45 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 1nqp h ALA 53 Cb 1.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1nqp h ALA 53 CO 0.81 0.57 -0.03 0.37 0.00 0.00 0.00 179.25 180.97 1nqp h GLN 54 N 0.38 0.93 -0.13 0.00 4.15 -1.90 -1.50 115.11 117.03 1nqp h GLN 54 Ca 0.05 -0.29 -0.18 0.00 0.77 0.00 0.00 58.65 59.00 1nqp h GLN 54 Cb 0.73 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 1nqp h GLN 54 CO 0.06 0.94 -0.68 0.28 -1.93 0.00 0.00 178.83 177.49 1nqp h VAL 55 N 0.85 1.34 -0.47 2.39 2.07 -1.68 -1.71 116.25 119.04 1nqp h VAL 55 Ca 0.15 -1.99 -0.11 0.00 0.82 0.00 0.00 66.70 65.57 1nqp h VAL 55 Cb 0.55 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1nqp h VAL 55 CO 0.03 0.61 -0.15 0.50 0.02 0.00 0.00 177.57 178.58 1nqp h LYS 56 N 0.38 0.88 -0.57 1.57 3.64 -1.20 0.48 116.57 121.76 1nqp h LYS 56 Ca -0.02 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 1nqp h LYS 56 Cb 1.26 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1nqp h LYS 56 CO 0.13 0.97 0.00 0.78 -2.27 0.00 0.00 179.45 179.06 1nqp h GLY 57 N 0.95 1.06 1.29 5.01 0.00 -1.22 -1.30 103.07 108.86 1nqp h GLY 57 Ca 0.12 -0.75 -0.19 0.00 0.00 0.00 0.00 47.33 46.51 1nqp h GLY 57 CO 0.05 0.69 -0.64 0.84 0.00 0.00 0.00 176.54 177.48 1nqp h HIS 58 N 0.90 0.94 -0.73 5.60 -0.00 -0.96 -3.00 115.15 117.90 1nqp h HIS 58 Ca 0.16 -0.37 0.01 0.00 -0.00 0.00 0.00 60.37 60.18 1nqp h HIS 58 Cb 0.52 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 1nqp h HIS 58 CO 0.03 1.17 0.49 0.78 -0.00 0.00 0.00 177.93 180.40 1nqp h GLY 59 N 0.81 1.03 1.03 5.26 0.00 0.27 -1.73 103.07 109.74 1nqp h GLY 59 Ca -0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1nqp h GLY 59 CO 0.13 0.37 0.16 1.70 0.00 0.00 0.00 176.54 178.89 1nqp h LYS 60 N 0.98 0.99 -0.62 4.80 3.64 -1.14 -0.43 116.57 124.78 1nqp h LYS 60 Ca 0.27 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1nqp h LYS 60 Cb -0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1nqp h LYS 60 CO -0.06 0.90 0.27 0.87 -2.27 0.00 0.00 179.45 179.16 1nqp h LYS 61 N 0.91 0.91 -0.18 1.90 1.57 -1.25 0.18 116.57 120.61 1nqp h LYS 61 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1nqp h LYS 61 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1nqp h LYS 61 CO 0.00 0.75 0.07 0.28 -0.57 0.00 0.00 179.45 179.98 1nqp h VAL 62 N 0.86 1.16 -0.43 0.50 2.07 -1.09 -0.63 116.25 118.69 1nqp h VAL 62 Ca 0.21 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1nqp h VAL 62 Cb 0.16 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1nqp h VAL 62 CO -0.02 0.15 0.28 0.00 0.02 0.00 0.00 177.57 178.01 1nqp h ALA 63 N 0.91 0.55 -0.13 1.67 0.00 -0.81 -1.90 119.26 119.54 1nqp h ALA 63 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1nqp h ALA 63 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nqp h ALA 63 CO -0.00 -0.00 -0.15 -0.44 0.00 0.00 0.00 179.25 178.65 1nqp h ASP 64 N 0.58 0.19 -0.29 0.00 3.32 -0.49 -1.25 116.42 118.48 1nqp h ASP 64 Ca 0.16 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1nqp h ASP 64 Cb -0.06 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1nqp h ASP 64 CO -0.04 0.36 -0.16 0.00 -1.72 0.00 0.00 179.24 177.69 1nqp h ALA 65 N 1.66 0.97 -0.30 3.45 0.00 -0.55 -0.63 119.26 123.86 1nqp h ALA 65 Ca 0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1nqp h ALA 65 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nqp h ALA 65 CO 0.02 0.60 -0.30 -0.07 0.00 0.00 0.00 179.25 179.51 1nqp h LEU 66 N 0.66 0.63 -0.96 0.00 3.38 -0.52 0.14 115.31 118.64 1nqp h LEU 66 Ca 0.10 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1nqp h LEU 66 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1nqp h LEU 66 CO 0.04 0.90 0.06 0.74 0.09 0.00 0.00 178.44 180.27 1nqp h THR 67 N 0.53 1.24 -0.37 0.22 2.02 -0.85 -0.67 112.91 115.02 1nqp h THR 67 Ca 0.07 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 1nqp h THR 67 Cb 0.78 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1nqp h THR 67 CO 0.06 0.33 0.15 -1.13 0.37 0.00 0.00 175.52 175.30 1nqp h ASN 68 N 0.77 0.51 -0.82 4.18 -1.24 -0.50 -1.90 115.58 116.59 1nqp h ASN 68 Ca 0.16 -0.17 0.02 0.00 0.71 0.00 0.00 56.30 57.02 1nqp h ASN 68 Cb 0.38 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 1nqp h ASN 68 CO 0.01 0.54 0.54 0.00 -1.29 0.00 0.00 177.43 177.23 1nqp h ALA 69 N 0.99 1.06 -0.59 1.57 0.00 -0.32 -2.40 119.26 119.56 1nqp h ALA 69 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nqp h ALA 69 Cb 0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1nqp h ALA 69 CO -0.01 0.42 0.26 0.28 0.00 0.00 0.00 179.25 180.20 1nqp h VAL 70 N 1.09 1.22 0.00 0.00 2.07 -0.90 0.13 116.25 119.86 1nqp h VAL 70 Ca 0.31 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1nqp h VAL 70 Cb -0.08 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1nqp h VAL 70 CO -0.08 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1nqp n ALA 71 N -2.35 1.60 -2.46 1.67 0.00 -0.74 -2.43 120.51 115.80 1nqp n ALA 71 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1nqp n ALA 71 Cb 0.14 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.44 1nqp n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nqp n HIS 72 N -1.45 0.26 0.09 0.00 8.25 -0.84 -4.94 115.22 116.59 1nqp n HIS 72 Ca 0.04 -0.89 0.20 0.00 -0.26 0.00 0.00 57.72 56.81 1nqp n HIS 72 Cb 0.13 -0.18 0.72 0.00 1.12 0.00 0.00 29.99 31.79 1nqp n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1nqp h VAL 73 N 6.13 0.31 -0.60 1.59 3.04 -0.40 0.08 116.25 126.40 1nqp h VAL 73 Ca -0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1nqp h VAL 73 Cb 1.71 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1nqp h VAL 73 CO 0.12 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.15 1nqp n ASP 74 N -3.60 3.49 -2.70 3.17 8.00 -1.26 -4.40 116.55 119.25 1nqp n ASP 74 Ca 0.08 -1.99 -0.07 0.00 0.71 0.00 0.00 54.79 53.52 1nqp n ASP 74 Cb 0.67 -0.40 0.10 0.00 -0.02 0.00 0.00 41.12 41.48 1nqp n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nqp n ASP 75 N 1.43 -1.94 -0.18 -2.24 2.03 -0.03 -5.03 116.55 110.59 1nqp n ASP 75 Ca 0.22 -2.65 -0.09 0.00 0.52 0.00 0.00 54.79 52.79 1nqp n ASP 75 Cb 0.56 1.21 0.01 0.00 -0.72 0.00 0.00 41.12 42.19 1nqp n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1nqp h MET 76 N 2.15 0.80 -0.60 -0.67 2.86 -1.63 -3.10 114.93 114.74 1nqp h MET 76 Ca -0.26 -0.18 0.12 0.00 -2.06 0.00 0.00 59.70 57.32 1nqp h MET 76 Cb 1.25 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.69 1nqp h MET 76 CO -0.04 0.75 -0.13 -1.35 1.06 0.00 0.00 176.91 177.20 1nqp h PRO 77 N 0.70 0.01 0.00 -0.22 0.11 -1.95 0.29 132.00 130.94 1nqp h PRO 77 Ca 0.16 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1nqp h PRO 77 Cb 0.29 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1nqp h PRO 77 CO -0.00 0.01 -0.13 -0.91 -0.21 0.00 0.00 178.00 176.76 1nqp h ASN 78 N 0.01 0.00 0.84 -2.05 2.35 -1.96 -2.11 115.58 112.66 1nqp h ASN 78 Ca 0.29 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.85 1nqp h ASN 78 Cb 0.45 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1nqp h ASN 78 CO -0.60 0.13 -1.25 0.00 -1.65 0.00 0.00 177.43 174.05 1nqp h ALA 79 N 1.87 0.64 -0.38 -0.83 0.00 -0.99 -3.37 119.26 116.21 1nqp h ALA 79 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1nqp h ALA 79 Cb 0.63 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1nqp h ALA 79 CO 0.02 1.05 0.00 1.28 0.00 0.00 0.00 179.25 181.60 1nqp n LEU 80 N -3.04 3.71 -0.34 0.00 4.77 0.84 -4.71 117.00 118.23 1nqp n LEU 80 Ca -0.08 -2.49 0.12 0.00 -0.03 0.00 0.00 56.01 53.54 1nqp n LEU 80 Cb 0.88 -0.43 0.31 0.00 -2.33 0.00 0.00 43.42 41.85 1nqp n LEU 80 CO 0.43 0.73 1.16 0.77 -1.33 0.00 0.00 177.39 179.15 1nqp h SER 81 N 2.40 0.69 -0.33 -1.43 4.64 -1.55 0.13 113.55 118.09 1nqp h SER 81 Ca 0.00 0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1nqp h SER 81 Cb 1.16 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1nqp h SER 81 CO 0.14 0.23 0.04 0.00 -0.87 0.00 0.00 176.83 176.37 1nqp h ALA 82 N 1.64 1.29 0.00 5.18 0.00 -1.89 -0.74 119.26 124.74 1nqp h ALA 82 Ca 0.56 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1nqp h ALA 82 Cb 0.89 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1nqp h ALA 82 CO -0.40 0.49 -0.63 -0.07 0.00 0.00 0.00 179.25 178.64 1nqp h LEU 83 N 0.63 0.00 -0.23 0.00 3.38 -1.38 -2.43 115.31 115.28 1nqp h LEU 83 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1nqp h LEU 83 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1nqp h LEU 83 CO 0.01 0.63 -0.20 -1.28 0.09 0.00 0.00 178.44 177.69 1nqp h SER 84 N 0.00 0.57 -0.81 -0.43 0.87 -0.64 -0.47 113.55 112.64 1nqp h SER 84 Ca -0.01 -0.46 0.07 0.00 -1.23 0.00 0.00 61.79 60.16 1nqp h SER 84 Cb 1.33 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 1nqp h SER 84 CO 0.08 0.92 0.49 0.44 -0.53 0.00 0.00 176.83 178.23 1nqp h ASP 85 N 0.24 0.75 0.13 6.23 3.32 -1.08 0.20 116.42 126.20 1nqp h ASP 85 Ca 0.04 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1nqp h ASP 85 Cb 0.74 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1nqp h ASP 85 CO 0.05 0.47 -0.06 0.25 -1.72 0.00 0.00 179.24 178.23 1nqp h LEU 86 N 0.88 -0.14 -0.04 1.55 5.85 -1.31 -0.80 115.31 121.29 1nqp h LEU 86 Ca 0.36 -0.39 -0.24 0.00 0.84 0.00 0.00 57.88 58.46 1nqp h LEU 86 Cb 0.21 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1nqp h LEU 86 CO -0.19 0.36 -1.06 0.45 -0.34 0.00 0.00 178.44 177.66 1nqp h HIS 87 N -0.70 0.38 0.00 1.25 3.86 -0.99 0.14 115.15 119.09 1nqp h HIS 87 Ca -0.02 -0.25 -0.28 0.00 -1.16 0.00 0.00 60.37 58.66 1nqp h HIS 87 Cb 0.52 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1nqp h HIS 87 CO 0.08 1.14 -1.62 0.00 0.86 0.00 0.00 177.93 178.39 1nqp n ALA 88 N -2.49 0.90 -0.02 2.45 0.00 0.70 -1.74 120.51 120.32 1nqp n ALA 88 Ca -0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 1nqp n ALA 88 Cb 0.93 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.02 1nqp n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nqp h HIS 89 N -1.00 -0.06 0.00 0.00 3.86 -1.36 -3.29 115.15 113.30 1nqp h HIS 89 Ca -0.43 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1nqp h HIS 89 Cb 1.33 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.82 1nqp h HIS 89 CO -0.01 0.58 -0.15 0.87 0.86 0.00 0.00 177.93 180.07 1nqp h LYS 90 N -0.84 0.00 0.00 2.45 1.57 -1.13 -3.40 116.57 115.23 1nqp h LYS 90 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1nqp h LYS 90 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1nqp h LYS 90 CO 0.01 0.00 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.51 1nqp h LEU 91 N -0.95 0.00 -1.65 2.94 3.38 -0.90 -3.48 115.31 114.65 1nqp h LEU 91 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1nqp h LEU 91 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1nqp h LEU 91 CO 0.00 0.31 -0.84 0.54 0.09 0.00 0.00 178.44 178.54 1nqp n ARG 92 N -3.30 -4.37 -2.06 1.13 1.74 -0.90 -4.90 116.66 104.00 1nqp n ARG 92 Ca 0.01 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 1nqp n ARG 92 Cb 0.56 -5.01 -0.03 0.00 -1.02 0.00 0.00 32.46 26.96 1nqp n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nqp s VAL 93 N -3.68 3.13 0.19 1.55 1.01 -0.71 -4.96 120.40 116.92 1nqp s VAL 93 Ca 0.15 0.72 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 1nqp s VAL 93 Cb -0.08 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1nqp s VAL 93 CO 0.85 0.03 1.52 -0.62 0.00 0.00 0.00 175.10 176.87 1nqp s ASP 94 N 1.58 6.62 0.53 3.32 -1.08 -1.26 -4.88 116.67 121.50 1nqp s ASP 94 Ca 0.68 2.61 0.32 0.00 -0.52 0.00 0.00 52.55 55.64 1nqp s ASP 94 Cb -0.38 -2.60 1.47 0.00 -1.46 0.00 0.00 42.92 39.94 1nqp s ASP 94 CO 0.30 -0.78 1.86 -0.65 0.52 0.00 0.00 175.17 176.43 1nqp h PRO 95 N 6.25 0.03 -0.61 4.34 0.11 -1.96 -1.34 132.00 138.82 1nqp h PRO 95 Ca -0.44 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.73 1nqp h PRO 95 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1nqp h PRO 95 CO 0.87 0.02 0.41 -0.24 -0.21 0.00 0.00 178.00 178.85 1nqp h VAL 96 N 0.03 1.00 -0.03 3.15 3.04 -2.01 -1.23 116.25 120.20 1nqp h VAL 96 Ca 0.47 -0.21 -0.04 0.00 -1.01 0.00 0.00 66.70 65.92 1nqp h VAL 96 Cb 1.82 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 1nqp h VAL 96 CO -0.03 0.11 -0.15 0.78 -1.01 0.00 0.00 177.57 177.27 1nqp h ASN 97 N 0.60 0.04 0.35 3.17 4.21 -1.61 -1.24 115.58 121.10 1nqp h ASN 97 Ca 0.26 -0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.65 1nqp h ASN 97 Cb 0.27 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1nqp h ASN 97 CO -0.08 0.20 -0.50 -0.26 -1.29 0.00 0.00 177.43 175.51 1nqp h PHE 98 N 0.05 0.20 -0.48 1.19 -1.00 -1.36 -0.93 116.94 114.62 1nqp h PHE 98 Ca 0.01 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.62 1nqp h PHE 98 Cb 0.30 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1nqp h PHE 98 CO 0.00 0.63 -0.14 0.87 -1.61 0.00 0.00 178.31 178.06 1nqp h LYS 99 N 0.13 0.90 -0.22 1.51 1.57 -1.14 -0.32 116.57 119.00 1nqp h LYS 99 Ca 0.00 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1nqp h LYS 99 Cb 0.93 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1nqp h LYS 99 CO 0.07 0.98 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.82 1nqp h LEU 100 N 0.80 0.41 -0.58 2.94 3.38 -1.05 -1.34 115.31 119.87 1nqp h LEU 100 Ca 0.12 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1nqp h LEU 100 Cb 0.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nqp h LEU 100 CO 0.05 0.67 -0.23 0.25 0.09 0.00 0.00 178.44 179.27 1nqp h LEU 101 N 0.15 0.91 -0.51 1.67 5.85 -1.13 -1.50 115.31 120.76 1nqp h LEU 101 Ca 0.06 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1nqp h LEU 101 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1nqp h LEU 101 CO 0.02 1.10 0.33 0.28 -0.34 0.00 0.00 178.44 179.83 1nqp h SER 102 N 0.77 0.57 -0.69 1.25 0.02 -0.99 0.14 113.55 114.62 1nqp h SER 102 Ca 0.10 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1nqp h SER 102 Cb 0.77 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1nqp h SER 102 CO 0.06 0.41 0.39 -0.74 -1.14 0.00 0.00 176.83 175.82 1nqp h HIS 103 N 0.68 0.94 -0.07 3.45 -0.00 -1.06 -0.99 115.15 118.10 1nqp h HIS 103 Ca 0.19 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.45 1nqp h HIS 103 Cb -0.07 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.02 1nqp h HIS 103 CO -0.04 0.66 -0.36 0.00 -0.00 0.00 0.00 177.93 178.19 1nqp h LEU 105 N 0.12 0.92 -0.77 0.00 3.38 -0.20 -1.18 115.31 117.58 1nqp h LEU 105 Ca 0.01 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1nqp h LEU 105 Cb 0.69 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1nqp h LEU 105 CO 0.05 1.11 0.21 -0.07 0.09 0.00 0.00 178.44 179.84 1nqp h LEU 106 N 0.72 1.07 -0.69 1.67 3.38 -0.72 -0.87 115.31 119.87 1nqp h LEU 106 Ca 0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1nqp h LEU 106 Cb 0.76 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1nqp h LEU 106 CO 0.06 1.00 0.20 0.58 0.09 0.00 0.00 178.44 180.37 1nqp h VAL 107 N 1.09 1.26 -0.36 1.22 2.07 -1.01 -0.37 116.25 120.13 1nqp h VAL 107 Ca 0.23 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1nqp h VAL 107 Cb 0.32 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1nqp h VAL 107 CO -0.00 0.35 0.07 0.74 0.02 0.00 0.00 177.57 178.75 1nqp h THR 108 N 1.02 1.23 -0.57 2.57 2.02 -0.85 -1.33 112.91 117.01 1nqp h THR 108 Ca 0.22 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 1nqp h THR 108 Cb 0.32 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1nqp h THR 108 CO -0.00 0.27 -0.00 -0.07 0.37 0.00 0.00 175.52 176.09 1nqp h LEU 109 N 0.44 0.96 -0.86 2.58 3.38 -0.98 -2.08 115.31 118.74 1nqp h LEU 109 Ca 0.11 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1nqp h LEU 109 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1nqp h LEU 109 CO 0.00 1.02 0.08 0.00 0.09 0.00 0.00 178.44 179.63 1nqp h ALA 110 N 1.08 1.06 0.00 1.53 0.00 -0.91 0.36 119.26 122.38 1nqp h ALA 110 Ca 0.16 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1nqp h ALA 110 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1nqp h ALA 110 CO 0.03 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.53 1nqp h ALA 111 N 1.21 1.02 0.00 0.00 0.00 -0.99 -3.34 119.26 117.16 1nqp h ALA 111 Ca 0.18 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 1nqp h ALA 111 Cb 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1nqp h ALA 111 CO 0.01 0.43 -2.04 0.72 0.00 0.00 0.00 179.25 178.37 1nqp n HIS 112 N -3.54 0.00 -3.30 0.00 -0.00 -0.81 -4.78 115.22 102.80 1nqp n HIS 112 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 1nqp n HIS 112 Cb 0.48 -0.73 -0.07 0.00 -0.00 0.00 0.00 29.99 29.68 1nqp n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1nqp n LEU 113 N -2.53 4.06 -0.23 2.41 4.77 0.12 -4.94 117.00 120.67 1nqp n LEU 113 Ca -0.23 -5.49 0.03 0.00 -0.03 0.00 0.00 56.01 50.29 1nqp n LEU 113 Cb 0.95 -0.67 0.15 0.00 -2.33 0.00 0.00 43.42 41.52 1nqp n LEU 113 CO 0.33 2.11 0.90 -0.65 -1.33 0.00 0.00 177.39 178.75 1nqp h PRO 114 N 3.96 0.21 -0.13 3.23 0.11 -1.79 -0.88 132.00 136.72 1nqp h PRO 114 Ca 0.19 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 1nqp h PRO 114 Cb 0.62 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1nqp h PRO 114 CO 0.86 0.14 -0.49 0.00 -0.21 0.00 0.00 178.00 178.29 1nqp h ALA 115 N 1.58 0.93 0.02 -0.75 0.00 -1.93 -3.25 119.26 115.85 1nqp h ALA 115 Ca 0.37 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 1nqp h ALA 115 Cb 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nqp h ALA 115 CO -0.51 0.66 -1.02 0.93 0.00 0.00 0.00 179.25 179.31 1nqp h GLU 116 N 0.26 0.51 -3.13 0.00 4.39 -1.75 -3.39 114.58 111.47 1nqp h GLU 116 Ca 0.01 -0.58 -0.45 0.00 0.34 0.00 0.00 59.36 58.69 1nqp h GLU 116 Cb 0.96 0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1nqp h GLU 116 CO 0.08 1.21 2.67 0.34 -1.16 0.00 0.00 179.01 182.15 1nqp n PHE 117 N -3.77 1.54 -1.83 4.33 7.35 -0.41 -4.69 117.46 119.98 1nqp n PHE 117 Ca -0.09 -2.24 -0.30 0.00 -0.76 0.00 0.00 57.45 54.07 1nqp n PHE 117 Cb 0.88 -1.90 0.07 0.00 0.35 0.00 0.00 39.48 38.88 1nqp n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1nqp s THR 118 N 2.73 2.76 0.24 -2.13 -4.23 -1.26 -4.77 115.64 108.98 1nqp s THR 118 Ca 0.51 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1nqp s THR 118 Cb 0.15 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 71.00 1nqp s THR 118 CO -0.04 -0.32 1.84 -0.65 -0.54 0.00 0.00 174.62 174.91 1nqp h PRO 119 N -0.92 0.89 -0.57 3.99 0.11 -1.99 0.81 132.00 134.32 1nqp h PRO 119 Ca -0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1nqp h PRO 119 Cb 1.29 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1nqp h PRO 119 CO 0.64 0.59 0.16 0.00 -0.21 0.00 0.00 178.00 179.18 1nqp h ALA 120 N 1.42 0.75 -0.39 -0.75 0.00 -1.96 -1.01 119.26 117.33 1nqp h ALA 120 Ca 0.38 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1nqp h ALA 120 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nqp h ALA 120 CO -0.19 0.43 -0.33 0.28 0.00 0.00 0.00 179.25 179.43 1nqp h VAL 121 N 0.81 1.28 -0.45 0.00 2.07 -1.73 -1.93 116.25 116.29 1nqp h VAL 121 Ca 0.18 -1.50 0.06 0.00 0.82 0.00 0.00 66.70 66.26 1nqp h VAL 121 Cb 0.31 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1nqp h VAL 121 CO -0.00 0.50 0.16 -0.74 0.02 0.00 0.00 177.57 177.51 1nqp h HIS 122 N 0.73 0.28 -0.49 1.57 6.17 -0.63 0.15 115.15 122.93 1nqp h HIS 122 Ca 0.07 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 1nqp h HIS 122 Cb 0.90 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.75 1nqp h HIS 122 CO 0.05 0.10 0.29 0.00 0.71 0.00 0.00 177.93 179.09 1nqp h ALA 123 N 1.29 0.63 -0.48 5.26 0.00 -0.93 -1.44 119.26 123.59 1nqp h ALA 123 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1nqp h ALA 123 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nqp h ALA 123 CO -0.21 0.11 0.07 0.77 0.00 0.00 0.00 179.25 179.99 1nqp h SER 124 N 0.66 0.76 -0.48 0.00 0.02 -0.66 -2.35 113.55 111.51 1nqp h SER 124 Ca 0.18 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1nqp h SER 124 Cb -0.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1nqp h SER 124 CO -0.03 0.84 0.11 -0.07 -1.14 0.00 0.00 176.83 176.53 1nqp h LEU 125 N 0.66 0.79 -0.30 5.07 3.38 -0.55 -0.19 115.31 124.16 1nqp h LEU 125 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1nqp h LEU 125 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1nqp h LEU 125 CO 0.01 0.78 0.10 -0.78 0.09 0.00 0.00 178.44 178.65 1nqp h ASP 126 N 0.80 0.43 -0.58 -0.43 3.58 -1.08 -0.55 116.42 118.60 1nqp h ASP 126 Ca 0.17 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1nqp h ASP 126 Cb 0.33 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1nqp h ASP 126 CO 0.00 0.51 0.26 0.11 -2.88 0.00 0.00 179.24 177.24 1nqp h LYS 127 N 0.33 0.85 -0.07 0.28 1.57 -1.16 -1.01 116.57 117.36 1nqp h LYS 127 Ca 0.10 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1nqp h LYS 127 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1nqp h LYS 127 CO -0.00 0.71 -0.02 0.35 -0.57 0.00 0.00 179.45 179.91 1nqp h PHE 128 N 0.80 -0.05 -0.04 -1.35 3.57 -0.80 0.10 116.94 119.17 1nqp h PHE 128 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1nqp h PHE 128 Cb 0.15 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1nqp h PHE 128 CO 0.00 -0.04 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.70 1nqp h LEU 129 N -0.01 0.06 -0.50 0.59 3.38 -0.93 -0.80 115.31 117.11 1nqp h LEU 129 Ca 0.04 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1nqp h LEU 129 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nqp h LEU 129 CO -0.08 0.34 -0.42 0.00 0.09 0.00 0.00 178.44 178.37 1nqp h ALA 130 N 1.67 0.67 -0.34 1.53 0.00 -0.65 -0.63 119.26 121.51 1nqp h ALA 130 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1nqp h ALA 130 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nqp h ALA 130 CO 0.04 0.67 -0.14 0.77 0.00 0.00 0.00 179.25 180.59 1nqp h SER 131 N 0.63 0.71 -0.77 0.00 0.02 -0.40 -1.42 113.55 112.32 1nqp h SER 131 Ca 0.05 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1nqp h SER 131 Cb 0.98 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1nqp h SER 131 CO 0.09 0.95 0.42 0.58 -1.14 0.00 0.00 176.83 177.73 1nqp h VAL 132 N 0.47 1.23 -0.64 2.27 2.07 -1.10 -2.16 116.25 118.40 1nqp h VAL 132 Ca 0.08 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1nqp h VAL 132 Cb 0.67 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1nqp h VAL 132 CO 0.05 0.26 0.37 0.28 0.02 0.00 0.00 177.57 178.55 1nqp h SER 133 N 1.07 0.77 -0.52 0.57 0.02 -0.93 -1.35 113.55 113.19 1nqp h SER 133 Ca 0.27 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1nqp h SER 133 Cb 0.03 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1nqp h SER 133 CO -0.04 0.62 0.22 0.74 -1.14 0.00 0.00 176.83 177.22 1nqp h THR 134 N 0.86 1.21 -0.20 -2.27 2.02 -0.91 -1.55 112.91 112.07 1nqp h THR 134 Ca 0.23 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1nqp h THR 134 Cb -0.00 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1nqp h THR 134 CO -0.04 0.26 -0.17 0.58 0.37 0.00 0.00 175.52 176.52 1nqp h VAL 135 N 0.81 1.33 0.00 3.16 2.07 -0.95 -2.47 116.25 120.20 1nqp h VAL 135 Ca 0.19 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1nqp h VAL 135 Cb 0.17 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1nqp h VAL 135 CO -0.02 0.40 0.00 -0.07 0.02 0.00 0.00 177.57 177.90 1nqp h LEU 136 N 0.13 0.00 -2.12 2.57 4.07 -1.00 -2.84 115.31 116.12 1nqp h LEU 136 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1nqp h LEU 136 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1nqp h LEU 136 CO 0.04 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 177.75 1nqp n THR 137 N -3.06 0.32 -4.01 0.22 -2.24 -0.61 -2.82 114.28 102.08 1nqp n THR 137 Ca 0.01 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.80 1nqp n THR 137 Cb 0.30 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 1nqp n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1nqp s SER 138 N -1.50 5.95 -0.33 3.42 0.01 -0.93 -4.83 113.70 115.49 1nqp s SER 138 Ca 0.30 0.20 -0.08 0.00 1.31 0.00 0.00 55.95 57.69 1nqp s SER 138 Cb 0.19 -1.76 0.02 0.00 0.21 0.00 0.00 66.02 64.68 1nqp s SER 138 CO 0.27 0.25 0.12 -0.54 0.41 0.00 0.00 173.24 173.75 1nqp s LYS 139 N -1.96 2.93 -0.08 12.44 1.02 -1.26 -4.81 119.74 128.02 1nqp s LYS 139 Ca 0.26 -0.98 0.16 0.00 0.02 0.00 0.00 55.97 55.43 1nqp s LYS 139 Cb -0.12 -3.49 0.32 0.00 -0.52 0.00 0.00 37.83 34.01 1nqp s LYS 139 CO 0.18 -0.56 1.15 2.48 -0.92 0.00 0.00 175.35 177.68 1nqp n TYR 140 N 4.89 0.00 1.89 3.18 0.18 -1.26 -5.18 117.16 120.86 1nqp n TYR 140 Ca -0.13 -0.76 0.16 0.00 1.88 0.00 0.00 57.90 59.04 1nqp n TYR 140 Cb 0.47 -0.16 0.85 0.00 -0.38 0.00 0.00 39.34 40.12 1nqp n TYR 140 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32