#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 4.49 0.68 7.52 1.43 -1.26 -5.08 118.68 126.46 1nqp s LEU 2 Ca 0.00 1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 1nqp s LEU 2 Cb 0.00 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.20 1nqp s LEU 2 CO 0.00 0.16 1.02 -0.94 0.23 0.00 0.00 176.35 176.82 1nqp s SER 3 N -0.63 5.28 0.25 2.29 1.04 -1.26 -4.89 113.70 115.78 1nqp s SER 3 Ca 0.33 0.82 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 1nqp s SER 3 Cb -0.20 -1.63 0.31 0.00 0.10 0.00 0.00 66.02 64.60 1nqp s SER 3 CO 0.21 -1.35 1.90 -0.65 0.98 0.00 0.00 173.24 174.33 1nqp h PRO 4 N -0.52 1.21 -0.16 4.02 0.11 -2.00 -1.21 132.00 133.45 1nqp h PRO 4 Ca -0.45 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1nqp h PRO 4 Cb 1.27 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1nqp h PRO 4 CO 0.62 0.80 -0.21 0.00 -0.21 0.00 0.00 178.00 179.00 1nqp h ALA 5 N 1.40 1.35 -0.34 -0.75 0.00 -2.00 -2.54 119.26 116.38 1nqp h ALA 5 Ca 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nqp h ALA 5 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nqp h ALA 5 CO -0.12 0.45 0.15 -0.44 0.00 0.00 0.00 179.25 179.29 1nqp h ASP 6 N 0.25 0.45 -0.76 0.00 3.32 -1.60 -0.71 116.42 117.38 1nqp h ASP 6 Ca 0.04 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1nqp h ASP 6 Cb 0.52 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1nqp h ASP 6 CO 0.04 0.46 0.41 0.11 -1.72 0.00 0.00 179.24 178.54 1nqp h LYS 7 N 0.41 1.07 -0.44 3.56 1.57 -1.13 0.05 116.57 121.66 1nqp h LYS 7 Ca 0.12 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1nqp h LYS 7 Cb 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nqp h LYS 7 CO -0.01 0.80 -0.12 1.15 -0.57 0.00 0.00 179.45 180.70 1nqp h THR 8 N 1.08 1.27 -0.54 -0.16 2.02 -1.19 -1.54 112.91 113.85 1nqp h THR 8 Ca 0.27 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1nqp h THR 8 Cb 0.05 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1nqp h THR 8 CO -0.04 0.42 0.26 0.78 0.37 0.00 0.00 175.52 177.31 1nqp h ASN 9 N 0.69 0.71 -0.27 4.18 2.35 -0.61 -0.92 115.58 121.70 1nqp h ASN 9 Ca 0.11 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1nqp h ASN 9 Cb 0.66 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1nqp h ASN 9 CO 0.05 0.64 0.09 0.58 -1.65 0.00 0.00 177.43 177.14 1nqp h VAL 10 N 0.73 1.20 -0.64 2.81 2.07 -0.89 -0.69 116.25 120.84 1nqp h VAL 10 Ca 0.19 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1nqp h VAL 10 Cb 0.12 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1nqp h VAL 10 CO -0.02 0.21 0.32 0.11 0.02 0.00 0.00 177.57 178.20 1nqp h LYS 11 N 0.28 0.91 -0.35 1.57 1.57 -1.16 1.00 116.57 120.38 1nqp h LYS 11 Ca 0.09 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1nqp h LYS 11 Cb 0.24 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1nqp h LYS 11 CO -0.00 0.71 0.07 0.00 -0.57 0.00 0.00 179.45 179.66 1nqp h ALA 12 N 1.15 0.47 -0.03 3.86 0.00 -1.05 -1.76 119.26 121.90 1nqp h ALA 12 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nqp h ALA 12 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nqp h ALA 12 CO -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1nqp h ALA 13 N 0.91 0.04 0.00 0.00 0.00 -0.95 -3.15 119.26 116.11 1nqp h ALA 13 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1nqp h ALA 13 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nqp h ALA 13 CO 0.00 -0.20 -0.18 2.35 0.00 0.00 0.00 179.25 181.22 1nqp h TRP 14 N -0.39 0.00 0.00 0.00 2.91 -0.85 -1.12 115.95 116.50 1nqp h TRP 14 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1nqp h TRP 14 Cb 0.50 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1nqp h TRP 14 CO 0.09 0.18 -0.08 0.78 -1.03 0.00 0.00 178.44 178.38 1nqp h GLY 15 N 1.22 0.00 2.00 2.65 0.00 -1.27 -1.40 103.07 106.26 1nqp h GLY 15 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1nqp h GLY 15 CO 0.02 0.00 -0.17 0.50 0.00 0.00 0.00 176.54 176.89 1nqp h LYS 16 N 0.00 0.00 -0.09 4.80 1.79 -1.21 -3.23 116.57 118.63 1nqp h LYS 16 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1nqp h LYS 16 Cb 0.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1nqp h LYS 16 CO 0.01 0.17 0.03 0.28 -1.08 0.00 0.00 179.45 178.87 1nqp h VAL 17 N 0.00 1.14 0.00 0.50 2.07 -1.32 -3.46 116.25 115.18 1nqp h VAL 17 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1nqp h VAL 17 Cb 0.87 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1nqp h VAL 17 CO 0.02 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1nqp n GLY 18 N -0.68 2.66 0.00 2.17 0.00 -1.22 -0.45 105.19 107.66 1nqp n GLY 18 Ca -0.06 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 9.94 1.91 0.94 4.61 0.00 -1.26 -2.51 120.51 134.13 1nqp n ALA 19 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1nqp n ALA 19 Cb 0.00 -1.24 0.19 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.20 0.43 -0.00 0.00 -0.00 0.40 -4.58 115.22 110.27 1nqp n HIS 20 Ca 0.08 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.72 57.58 1nqp n HIS 20 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.08 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 3.70 -0.42 -0.97 -1.41 0.00 -1.62 0.11 119.26 118.64 1nqp h ALA 21 Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1nqp h ALA 21 Cb 0.47 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1nqp h ALA 21 CO 0.00 -0.43 0.61 0.78 0.00 0.00 0.00 179.25 180.21 1nqp h GLY 22 N -0.02 1.55 0.83 0.00 0.00 -1.81 0.74 103.07 104.36 1nqp h GLY 22 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1nqp h GLY 22 CO -0.02 0.20 -0.24 -2.09 0.00 0.00 0.00 176.54 174.38 1nqp h GLU 23 N 1.00 -0.56 -0.59 4.80 4.81 -1.78 0.95 114.58 123.21 1nqp h GLU 23 Ca 0.46 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.66 1nqp h GLU 23 Cb 0.39 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1nqp h GLU 23 CO -0.24 -0.37 0.10 1.88 -0.73 0.00 0.00 179.01 179.64 1nqp h TYR 24 N -0.58 1.04 -0.79 0.92 -1.99 -0.39 -1.07 116.97 114.10 1nqp h TYR 24 Ca -0.03 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.51 1nqp h TYR 24 Cb 0.50 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 1nqp h TYR 24 CO -0.12 0.90 0.30 0.78 -0.00 0.00 0.00 178.16 180.02 1nqp h GLY 25 N 0.88 1.28 1.01 3.88 0.00 -0.75 -0.35 103.07 109.02 1nqp h GLY 25 Ca 0.18 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1nqp h GLY 25 CO 0.01 0.67 0.02 0.00 0.00 0.00 0.00 176.54 177.24 1nqp h ALA 26 N 1.16 0.68 -0.49 3.60 0.00 -0.57 -2.34 119.26 121.30 1nqp h ALA 26 Ca 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1nqp h ALA 26 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1nqp h ALA 26 CO -0.02 0.48 0.15 1.49 0.00 0.00 0.00 179.25 181.35 1nqp h GLU 27 N 0.75 0.77 -0.83 0.00 4.81 -0.88 -1.23 114.58 117.97 1nqp h GLU 27 Ca 0.15 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1nqp h GLU 27 Cb 0.49 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1nqp h GLU 27 CO 0.02 0.73 0.55 0.00 -0.73 0.00 0.00 179.01 179.58 1nqp h ALA 28 N 1.01 1.07 -0.26 2.92 0.00 -0.95 0.48 119.26 123.53 1nqp h ALA 28 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nqp h ALA 28 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nqp h ALA 28 CO -0.00 0.44 0.07 -0.07 0.00 0.00 0.00 179.25 179.68 1nqp h LEU 29 N 1.10 0.38 -0.72 0.00 3.38 -1.18 -0.78 115.31 117.50 1nqp h LEU 29 Ca 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1nqp h LEU 29 Cb -0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1nqp h LEU 29 CO -0.08 0.50 0.40 -0.08 0.09 0.00 0.00 178.44 179.27 1nqp h GLU 30 N 0.24 0.99 -0.91 1.13 4.81 -0.76 -0.04 114.58 120.05 1nqp h GLU 30 Ca 0.08 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nqp h GLU 30 Cb 0.26 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1nqp h GLU 30 CO -0.00 0.73 0.59 0.00 -0.73 0.00 0.00 179.01 179.60 1nqp h ARG 31 N 0.98 1.21 -0.01 1.92 3.08 -0.73 -1.52 114.38 119.30 1nqp h ARG 31 Ca 0.25 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1nqp h ARG 31 Cb 0.02 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1nqp h ARG 31 CO -0.04 0.81 -0.00 1.98 -1.07 0.00 0.00 179.97 181.65 1nqp h MET 32 N 1.24 0.02 -0.86 0.04 4.05 -0.33 -0.57 114.93 118.52 1nqp h MET 32 Ca 0.33 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.75 1nqp h MET 32 Cb -0.12 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1nqp h MET 32 CO -0.07 0.33 0.56 0.74 0.23 0.00 0.00 176.91 178.71 1nqp h PHE 33 N -0.29 1.09 0.02 1.39 0.04 -0.89 0.20 116.94 118.50 1nqp h PHE 33 Ca 0.00 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 1nqp h PHE 33 Cb 0.32 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 38.12 1nqp h PHE 33 CO 0.03 0.69 -0.47 1.25 -0.60 0.00 0.00 178.31 179.22 1nqp h LEU 34 N 1.17 0.38 -0.42 1.54 5.85 -1.27 -3.09 115.31 119.47 1nqp h LEU 34 Ca 0.31 -0.81 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 1nqp h LEU 34 Cb -0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1nqp h LEU 34 CO -0.07 1.14 -0.72 0.28 -0.34 0.00 0.00 178.44 178.74 1nqp h SER 35 N -0.34 0.47 -2.39 1.25 0.02 -1.03 -3.38 113.55 108.14 1nqp h SER 35 Ca -0.06 -0.30 -0.59 0.00 -0.84 0.00 0.00 61.79 59.99 1nqp h SER 35 Cb 1.23 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.23 1nqp h SER 35 CO 0.09 1.04 -0.80 0.49 -1.14 0.00 0.00 176.83 176.50 1nqp n PHE 36 N -3.84 1.53 -0.46 3.45 3.72 0.71 -4.99 117.46 117.58 1nqp n PHE 36 Ca -0.04 -3.86 0.41 0.00 -0.05 0.00 0.00 57.45 53.91 1nqp n PHE 36 Cb 0.70 -0.34 0.75 0.00 -0.94 0.00 0.00 39.48 39.65 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 4.74 0.04 -0.06 -1.08 0.11 -1.71 -0.88 132.00 133.14 1nqp h PRO 37 Ca 0.17 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1nqp h PRO 37 Cb 0.79 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1nqp h PRO 37 CO 0.61 0.02 0.02 1.79 -0.21 0.00 0.00 178.00 180.24 1nqp h THR 38 N 0.04 1.03 0.00 -1.15 1.35 -1.92 -1.36 112.91 110.90 1nqp h THR 38 Ca 0.72 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 66.48 1nqp h THR 38 Cb 2.75 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1nqp h THR 38 CO -0.07 0.03 -0.02 0.71 -0.25 0.00 0.00 175.52 175.92 1nqp h THR 39 N 0.08 0.18 0.00 6.82 1.35 -1.48 -2.22 112.91 117.65 1nqp h THR 39 Ca 0.02 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1nqp h THR 39 Cb 0.02 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1nqp h THR 39 CO -0.00 0.02 -0.06 0.11 -0.25 0.00 0.00 175.52 175.33 1nqp h LYS 40 N 0.00 0.00 -0.07 4.72 1.57 -1.43 -2.83 116.57 118.53 1nqp h LYS 40 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1nqp h LYS 40 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1nqp h LYS 40 CO 0.00 0.06 0.23 1.79 -0.57 0.00 0.00 179.45 180.97 1nqp h THR 41 N 0.00 0.12 0.00 -0.16 1.35 -1.58 0.10 112.91 112.74 1nqp h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1nqp h THR 41 Cb 0.21 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1nqp h THR 41 CO 0.01 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.80 1nqp n TYR 42 N -3.17 0.37 -2.67 4.73 4.01 -1.07 -4.14 117.16 115.22 1nqp n TYR 42 Ca -0.01 0.11 -0.21 0.00 -0.16 0.00 0.00 57.90 57.63 1nqp n TYR 42 Cb 0.31 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.84 2.53 0.28 -0.72 3.01 0.35 -4.88 117.46 116.19 1nqp n PHE 43 Ca 0.05 -3.22 0.16 0.00 1.01 0.00 0.00 57.45 55.46 1nqp n PHE 43 Cb 0.39 -0.26 0.81 0.00 -0.01 0.00 0.00 39.48 40.41 1nqp n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1nqp h PRO 44 N 2.80 0.00 -0.01 -1.08 0.13 -1.71 -2.06 132.00 130.07 1nqp h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1nqp h PRO 44 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1nqp h PRO 44 CO 0.71 0.07 -0.09 -2.39 -0.23 0.00 0.00 178.00 176.06 1nqp n HIS 45 N -3.35 0.00 -3.53 1.56 1.44 -1.26 -4.91 115.22 105.17 1nqp n HIS 45 Ca -0.01 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.37 1nqp n HIS 45 Cb 0.23 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.20 1nqp n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1nqp s PHE 46 N -2.26 3.49 -0.41 -1.40 0.40 -0.78 -5.04 117.98 111.98 1nqp s PHE 46 Ca 0.34 0.77 -0.22 0.00 -0.60 0.00 0.00 56.93 57.21 1nqp s PHE 46 Cb 0.20 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.59 1nqp s PHE 46 CO 0.42 0.39 0.74 0.34 0.70 0.00 0.00 175.22 177.82 1nqp s ASP 47 N -2.18 6.44 -0.25 1.36 3.68 -1.26 -4.91 116.67 119.54 1nqp s ASP 47 Ca 0.41 0.03 0.13 0.00 2.13 0.00 0.00 52.55 55.25 1nqp s ASP 47 Cb -0.12 -2.37 0.74 0.00 -1.45 0.00 0.00 42.92 39.72 1nqp s ASP 47 CO 0.21 -0.79 1.70 0.18 0.13 0.00 0.00 175.17 176.60 1nqp n LEU 48 N 6.47 5.47 -4.80 -1.34 4.77 -1.26 -4.41 117.00 121.89 1nqp n LEU 48 Ca 0.01 -3.06 -0.32 0.00 -0.03 0.00 0.00 56.01 52.61 1nqp n LEU 48 Cb 0.48 -0.68 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1nqp n LEU 48 CO 0.55 0.71 0.71 -0.94 -1.33 0.00 0.00 177.39 177.09 1nqp s SER 49 N -1.13 5.33 0.21 -1.43 1.04 -1.26 -4.93 113.70 111.53 1nqp s SER 49 Ca 0.52 1.75 -0.32 0.00 0.48 0.00 0.00 55.95 58.38 1nqp s SER 49 Cb 0.41 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.89 1nqp s SER 49 CO 0.13 -1.48 1.71 1.57 0.98 0.00 0.00 173.24 176.16 1nqp n HIS 50 N -2.79 2.72 -0.58 5.02 -0.00 -1.26 -1.26 115.22 117.06 1nqp n HIS 50 Ca 0.08 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1nqp n HIS 50 Cb 0.53 -2.67 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1nqp n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nqp n GLY 51 N 3.92 0.88 3.58 1.57 0.00 -1.26 -5.00 105.19 108.88 1nqp n GLY 51 Ca 0.16 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 1.48 -0.01 1.61 2.88 -0.39 -4.87 113.62 114.32 1nqp n SER 52 Ca 0.00 1.13 -0.05 0.00 -1.33 0.00 0.00 58.87 58.62 1nqp n SER 52 Cb 0.00 -1.19 0.17 0.00 -0.75 0.00 0.00 64.21 62.43 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 4.03 1.03 -0.59 -1.46 0.00 -1.90 -1.61 119.26 118.77 1nqp h ALA 53 Ca -0.46 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 1nqp h ALA 53 Cb 1.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1nqp h ALA 53 CO 0.74 0.58 0.12 1.96 0.00 0.00 0.00 179.25 182.66 1nqp h GLN 54 N 0.48 0.96 -0.46 0.00 4.20 -1.89 -0.89 115.11 117.51 1nqp h GLN 54 Ca 0.07 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.42 1nqp h GLN 54 Cb 0.70 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1nqp h GLN 54 CO 0.05 0.90 -0.19 0.28 -0.67 0.00 0.00 178.83 179.20 1nqp h VAL 55 N 0.86 1.27 -0.17 -0.54 2.07 -1.72 -1.29 116.25 116.74 1nqp h VAL 55 Ca 0.18 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1nqp h VAL 55 Cb 0.38 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1nqp h VAL 55 CO 0.01 0.45 0.07 0.11 0.02 0.00 0.00 177.57 178.24 1nqp h LYS 56 N 0.79 0.25 -0.53 1.57 6.56 -1.05 0.14 116.57 124.30 1nqp h LYS 56 Ca 0.11 -0.04 -0.07 0.00 -1.06 0.00 0.00 60.65 59.59 1nqp h LYS 56 Cb 0.73 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.33 1nqp h LYS 56 CO 0.06 0.30 0.03 0.78 -2.06 0.00 0.00 179.45 178.56 1nqp h GLY 57 N 0.13 0.95 1.38 3.86 0.00 -1.10 -2.41 103.07 105.88 1nqp h GLY 57 Ca 0.06 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 1nqp h GLY 57 CO -0.01 0.59 -0.41 0.84 0.00 0.00 0.00 176.54 177.55 1nqp h HIS 58 N 0.82 0.81 -0.60 5.60 6.17 -1.01 -2.78 115.15 124.16 1nqp h HIS 58 Ca 0.16 -0.24 -0.02 0.00 0.71 0.00 0.00 60.37 60.98 1nqp h HIS 58 Cb 0.45 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.18 1nqp h HIS 58 CO 0.03 0.97 0.28 0.78 0.71 0.00 0.00 177.93 180.70 1nqp h GLY 59 N 0.97 0.91 1.36 5.26 0.00 -0.42 -1.29 103.07 109.86 1nqp h GLY 59 Ca 0.05 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1nqp h GLY 59 CO 0.08 0.41 -0.15 1.70 0.00 0.00 0.00 176.54 178.59 1nqp h LYS 60 N 0.85 0.75 -0.40 4.80 3.64 -1.24 -0.86 116.57 124.11 1nqp h LYS 60 Ca 0.21 -0.26 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1nqp h LYS 60 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nqp h LYS 60 CO -0.03 0.86 -0.27 0.87 -2.27 0.00 0.00 179.45 178.61 1nqp h LYS 61 N 0.67 0.84 -0.13 1.90 1.57 -1.12 0.08 116.57 120.39 1nqp h LYS 61 Ca 0.11 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1nqp h LYS 61 Cb 0.63 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1nqp h LYS 61 CO 0.04 1.01 0.01 0.28 -0.57 0.00 0.00 179.45 180.22 1nqp h VAL 62 N 0.72 1.23 -0.56 0.50 2.07 -1.05 -1.48 116.25 117.68 1nqp h VAL 62 Ca 0.09 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1nqp h VAL 62 Cb 0.81 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1nqp h VAL 62 CO 0.07 0.22 0.34 0.00 0.02 0.00 0.00 177.57 178.22 1nqp h ALA 63 N 0.78 0.72 -0.21 1.67 0.00 -1.06 -1.61 119.26 119.55 1nqp h ALA 63 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nqp h ALA 63 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nqp h ALA 63 CO 0.00 0.20 -0.10 -0.44 0.00 0.00 0.00 179.25 178.92 1nqp h ASP 64 N 0.76 0.31 -0.55 0.00 3.32 -0.91 -1.05 116.42 118.29 1nqp h ASP 64 Ca 0.20 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1nqp h ASP 64 Cb -0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1nqp h ASP 64 CO -0.04 0.45 -0.05 0.00 -1.72 0.00 0.00 179.24 177.87 1nqp h ALA 65 N 1.59 0.83 -0.46 3.45 0.00 -0.65 -1.35 119.26 122.67 1nqp h ALA 65 Ca 0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1nqp h ALA 65 Cb 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nqp h ALA 65 CO 0.02 0.67 -0.06 -0.07 0.00 0.00 0.00 179.25 179.80 1nqp h LEU 66 N 0.93 0.78 -1.02 0.00 3.38 -0.53 -0.67 115.31 118.19 1nqp h LEU 66 Ca 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1nqp h LEU 66 Cb 0.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1nqp h LEU 66 CO 0.04 0.89 0.31 0.74 0.09 0.00 0.00 178.44 180.50 1nqp h THR 67 N 0.73 1.23 -0.42 0.22 2.02 -0.84 0.21 112.91 116.06 1nqp h THR 67 Ca 0.13 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 1nqp h THR 67 Cb 0.54 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1nqp h THR 67 CO 0.03 0.28 -0.08 -1.13 0.37 0.00 0.00 175.52 174.99 1nqp h ASN 68 N 1.00 0.80 -0.68 4.18 -0.00 -0.76 -2.06 115.58 118.06 1nqp h ASN 68 Ca 0.24 -0.35 -0.03 0.00 -0.00 0.00 0.00 56.30 56.16 1nqp h ASN 68 Cb 0.15 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.21 1nqp h ASN 68 CO -0.03 0.97 0.32 0.00 -0.00 0.00 0.00 177.43 178.69 1nqp h ALA 69 N 0.86 1.24 -0.64 1.57 0.00 -0.47 -1.58 119.26 120.24 1nqp h ALA 69 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1nqp h ALA 69 Cb 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nqp h ALA 69 CO 0.04 0.57 0.11 0.28 0.00 0.00 0.00 179.25 180.25 1nqp h VAL 70 N 1.00 1.26 0.00 0.00 2.07 -0.81 0.02 116.25 119.79 1nqp h VAL 70 Ca 0.24 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1nqp h VAL 70 Cb 0.13 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1nqp h VAL 70 CO -0.03 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.94 1nqp h ALA 71 N 1.04 1.00 -0.57 1.67 0.00 -0.77 -2.93 119.26 118.69 1nqp h ALA 71 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.70 1nqp h ALA 71 Cb 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.83 1nqp h ALA 71 CO 0.01 0.00 -0.88 0.72 0.00 0.00 0.00 179.25 179.10 1nqp n HIS 72 N -3.04 2.01 0.33 0.00 -0.00 -0.65 -4.86 115.22 109.01 1nqp n HIS 72 Ca 0.00 -2.07 0.21 0.00 -0.00 0.00 0.00 57.72 55.86 1nqp n HIS 72 Cb 0.26 -0.30 1.12 0.00 -0.00 0.00 0.00 29.99 31.07 1nqp n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1nqp h VAL 73 N 3.14 0.11 0.00 1.59 3.04 -0.82 -1.17 116.25 122.14 1nqp h VAL 73 Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1nqp h VAL 73 Cb 1.43 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1nqp h VAL 73 CO 0.52 0.00 -0.62 0.47 -1.01 0.00 0.00 177.57 176.92 1nqp n ASP 74 N -3.22 0.67 -2.97 3.17 8.00 -1.26 -4.42 116.55 116.53 1nqp n ASP 74 Ca -0.03 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 1nqp n ASP 74 Cb 0.12 0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.05 -0.12 -0.17 -2.24 -0.08 -0.49 -4.98 116.55 106.42 1nqp n ASP 75 Ca 0.03 -3.12 -0.08 0.00 -1.51 0.00 0.00 54.79 50.11 1nqp n ASP 75 Cb 0.43 0.18 0.06 0.00 2.34 0.00 0.00 41.12 44.13 1nqp n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1nqp h MET 76 N 2.94 0.97 -0.49 -0.67 2.86 -1.63 -2.49 114.93 116.42 1nqp h MET 76 Ca -0.00 -0.33 0.06 0.00 -2.06 0.00 0.00 59.70 57.37 1nqp h MET 76 Cb 1.05 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.58 1nqp h MET 76 CO 0.36 0.99 0.21 -1.35 1.06 0.00 0.00 176.91 178.18 1nqp h PRO 77 N 0.87 0.39 -0.46 -0.22 0.11 -1.94 0.18 132.00 130.94 1nqp h PRO 77 Ca 0.15 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 1nqp h PRO 77 Cb 0.60 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1nqp h PRO 77 CO 0.04 0.26 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.03 1nqp h ASN 78 N 0.41 0.94 0.60 -2.05 2.35 -1.96 -1.98 115.58 113.89 1nqp h ASN 78 Ca 0.23 -0.38 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1nqp h ASN 78 Cb 0.20 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1nqp h ASN 78 CO -0.20 1.10 -0.45 0.00 -1.65 0.00 0.00 177.43 176.23 1nqp h ALA 79 N 0.87 1.11 -0.36 -0.83 0.00 -1.00 -3.20 119.26 115.84 1nqp h ALA 79 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nqp h ALA 79 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nqp h ALA 79 CO 0.05 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1nqp n LEU 80 N -3.79 3.72 -0.28 0.00 4.77 0.61 -4.73 117.00 117.28 1nqp n LEU 80 Ca -0.01 -2.56 0.08 0.00 -0.03 0.00 0.00 56.01 53.48 1nqp n LEU 80 Cb 0.51 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 41.38 1nqp n LEU 80 CO 0.39 0.71 1.06 0.77 -1.33 0.00 0.00 177.39 178.99 1nqp h SER 81 N 2.27 0.41 -0.61 -1.43 4.64 -1.36 0.09 113.55 117.56 1nqp h SER 81 Ca 0.00 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1nqp h SER 81 Cb 1.20 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1nqp h SER 81 CO 0.15 0.14 0.14 0.00 -0.87 0.00 0.00 176.83 176.40 1nqp h ALA 82 N 1.58 0.80 -0.08 5.18 0.00 -1.87 -1.83 119.26 123.05 1nqp h ALA 82 Ca 0.46 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1nqp h ALA 82 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nqp h ALA 82 CO -0.41 0.52 -0.40 -0.07 0.00 0.00 0.00 179.25 178.89 1nqp h LEU 83 N 0.89 0.19 -0.31 0.00 3.38 -1.60 -2.12 115.31 115.74 1nqp h LEU 83 Ca 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1nqp h LEU 83 Cb 0.36 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nqp h LEU 83 CO 0.00 0.58 0.05 -1.28 0.09 0.00 0.00 178.44 177.88 1nqp h SER 84 N 0.15 0.50 -0.82 -0.43 0.87 -0.70 -0.91 113.55 112.21 1nqp h SER 84 Ca 0.01 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1nqp h SER 84 Cb 0.78 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 1nqp h SER 84 CO 0.06 0.64 0.53 -0.78 -0.53 0.00 0.00 176.83 176.74 1nqp h ASP 85 N 0.34 0.88 0.01 6.23 -0.00 -1.08 0.26 116.42 123.07 1nqp h ASP 85 Ca 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.12 1nqp h ASP 85 Cb 0.35 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 1nqp h ASP 85 CO 0.01 0.61 -0.00 0.25 -0.00 0.00 0.00 179.24 180.11 1nqp h LEU 86 N 1.04 -0.01 0.03 2.28 5.85 -1.14 -1.48 115.31 121.88 1nqp h LEU 86 Ca 0.32 -0.22 -0.26 0.00 0.84 0.00 0.00 57.88 58.56 1nqp h LEU 86 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1nqp h LEU 86 CO -0.11 0.22 -1.15 0.45 -0.34 0.00 0.00 178.44 177.51 1nqp h HIS 87 N -0.23 0.51 0.10 1.25 3.86 -0.97 0.21 115.15 119.88 1nqp h HIS 87 Ca -0.00 -0.34 -0.31 0.00 -1.16 0.00 0.00 60.37 58.55 1nqp h HIS 87 Cb 0.23 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1nqp h HIS 87 CO 0.00 1.23 -1.67 0.00 0.86 0.00 0.00 177.93 178.36 1nqp h ALA 88 N 0.64 0.31 0.04 2.45 0.00 -0.41 -1.63 119.26 120.66 1nqp h ALA 88 Ca -0.12 -1.25 -0.32 0.00 0.00 0.00 0.00 54.91 53.22 1nqp h ALA 88 Cb 1.85 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 20.24 1nqp h ALA 88 CO 0.19 1.03 -1.76 -2.39 0.00 0.00 0.00 179.25 176.32 1nqp n HIS 89 N -3.81 0.86 0.01 0.00 -0.00 -0.70 -3.95 115.22 107.64 1nqp n HIS 89 Ca -0.30 0.29 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1nqp n HIS 89 Cb 0.93 -1.10 -0.01 0.00 -0.00 0.00 0.00 29.99 29.82 1nqp n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1nqp h LYS 90 N -0.61 -0.12 0.00 -1.40 3.64 -1.27 -3.39 116.57 113.43 1nqp h LYS 90 Ca -0.44 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 1nqp h LYS 90 Cb 1.61 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1nqp h LYS 90 CO -0.15 -0.08 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.55 1nqp h LEU 91 N -0.81 0.00 -2.05 5.20 3.38 -0.72 -3.48 115.31 116.83 1nqp h LEU 91 Ca -0.01 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.52 1nqp h LEU 91 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.87 1nqp h LEU 91 CO 0.02 0.33 -0.87 0.54 0.09 0.00 0.00 178.44 178.56 1nqp n ARG 92 N -3.22 -3.78 -2.32 1.13 1.74 -0.69 -4.89 116.66 104.62 1nqp n ARG 92 Ca 0.02 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1nqp n ARG 92 Cb 0.63 -4.84 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 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 -3.72 3.90 0.18 1.55 1.01 -0.73 -4.97 120.40 117.61 1nqp s VAL 93 Ca 0.08 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 1nqp s VAL 93 Cb -0.03 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1nqp s VAL 93 CO 0.84 0.01 1.58 -0.62 0.00 0.00 0.00 175.10 176.92 1nqp s ASP 94 N 1.62 6.55 0.55 3.32 -1.08 -1.26 -4.88 116.67 121.50 1nqp s ASP 94 Ca 0.61 2.68 0.30 0.00 -0.52 0.00 0.00 52.55 55.62 1nqp s ASP 94 Cb -0.29 -2.60 1.47 0.00 -1.46 0.00 0.00 42.92 40.03 1nqp s ASP 94 CO 0.25 -0.84 1.89 -0.65 0.52 0.00 0.00 175.17 176.34 1nqp h PRO 95 N 6.57 0.00 -0.53 4.34 0.11 -1.97 -1.57 132.00 138.95 1nqp h PRO 95 Ca -0.43 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1nqp h PRO 95 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1nqp h PRO 95 CO 0.91 0.00 0.35 -0.24 -0.21 0.00 0.00 178.00 178.81 1nqp h VAL 96 N 0.00 1.00 0.00 3.15 3.04 -2.01 -1.30 116.25 120.13 1nqp h VAL 96 Ca 0.35 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.82 1nqp h VAL 96 Cb 1.52 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1nqp h VAL 96 CO -0.00 0.09 -0.21 0.78 -1.01 0.00 0.00 177.57 177.22 1nqp h ASN 97 N 0.51 0.00 0.22 3.17 4.21 -1.66 -1.92 115.58 120.11 1nqp h ASN 97 Ca 0.22 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.60 1nqp h ASN 97 Cb 0.25 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1nqp h ASN 97 CO -0.06 0.21 -0.52 -0.26 -1.29 0.00 0.00 177.43 175.50 1nqp h PHE 98 N 0.00 0.42 -0.61 1.19 -1.00 -1.39 -1.40 116.94 114.16 1nqp h PHE 98 Ca -0.00 -0.14 -0.09 0.00 2.81 0.00 0.00 57.97 60.55 1nqp h PHE 98 Cb 0.38 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1nqp h PHE 98 CO 0.00 0.79 0.04 0.87 -1.61 0.00 0.00 178.31 178.41 1nqp h LYS 99 N 0.27 1.04 -0.18 1.51 1.57 -1.29 -0.45 116.57 119.04 1nqp h LYS 99 Ca 0.01 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1nqp h LYS 99 Cb 1.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1nqp h LYS 99 CO 0.09 0.99 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.88 1nqp h LEU 100 N 0.96 0.32 -0.67 2.94 3.38 -1.20 -1.66 115.31 119.38 1nqp h LEU 100 Ca 0.18 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1nqp h LEU 100 Cb 0.50 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1nqp h LEU 100 CO 0.02 0.56 -0.05 0.25 0.09 0.00 0.00 178.44 179.31 1nqp h LEU 101 N 0.07 0.97 -0.66 1.67 5.85 -1.18 -1.31 115.31 120.73 1nqp h LEU 101 Ca 0.05 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1nqp h LEU 101 Cb 0.40 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1nqp h LEU 101 CO 0.01 1.05 0.42 0.28 -0.34 0.00 0.00 178.44 179.86 1nqp h SER 102 N 0.89 0.77 -0.43 1.25 0.02 -1.01 0.70 113.55 115.75 1nqp h SER 102 Ca 0.15 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1nqp h SER 102 Cb 0.59 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1nqp h SER 102 CO 0.04 0.58 0.25 -0.74 -1.14 0.00 0.00 176.83 175.82 1nqp h HIS 103 N 0.89 0.58 -0.04 3.45 -0.00 -1.07 -1.30 115.15 117.66 1nqp h HIS 103 Ca 0.24 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1nqp h HIS 103 Cb -0.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1nqp h HIS 103 CO -0.02 0.42 -0.24 0.00 -0.00 0.00 0.00 177.93 178.09 1nqp h LEU 105 N 0.07 0.98 -0.48 0.00 3.38 -0.40 -1.63 115.31 117.23 1nqp h LEU 105 Ca 0.01 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1nqp h LEU 105 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1nqp h LEU 105 CO 0.03 1.24 0.13 -0.07 0.09 0.00 0.00 178.44 179.87 1nqp h LEU 106 N 0.74 0.71 -0.69 1.67 3.38 -0.57 -0.56 115.31 119.99 1nqp h LEU 106 Ca 0.06 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1nqp h LEU 106 Cb 0.97 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1nqp h LEU 106 CO 0.09 0.75 0.44 0.58 0.09 0.00 0.00 178.44 180.39 1nqp h VAL 107 N 0.64 1.13 -0.41 1.22 2.07 -1.04 0.46 116.25 120.33 1nqp h VAL 107 Ca 0.15 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1nqp h VAL 107 Cb 0.30 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1nqp h VAL 107 CO -0.00 0.16 0.19 0.74 0.02 0.00 0.00 177.57 178.68 1nqp h THR 108 N 0.88 1.17 -0.60 2.57 2.02 -0.93 -0.74 112.91 117.29 1nqp h THR 108 Ca 0.27 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1nqp h THR 108 Cb -0.03 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1nqp h THR 108 CO -0.09 0.19 0.11 -0.07 0.37 0.00 0.00 175.52 176.03 1nqp h LEU 109 N 0.51 0.94 -0.99 2.58 3.38 -0.72 -2.17 115.31 118.85 1nqp h LEU 109 Ca 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1nqp h LEU 109 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1nqp h LEU 109 CO -0.02 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.66 1nqp h ALA 110 N 1.02 1.19 0.00 1.53 0.00 -0.67 0.37 119.26 122.69 1nqp h ALA 110 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nqp h ALA 110 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nqp h ALA 110 CO 0.01 0.57 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 1nqp h ALA 111 N 1.31 1.02 0.00 0.00 0.00 -0.84 -3.27 119.26 117.48 1nqp h ALA 111 Ca 0.20 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1nqp h ALA 111 Cb 0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1nqp h ALA 111 CO -0.01 0.39 -2.13 0.72 0.00 0.00 0.00 179.25 178.22 1nqp n HIS 112 N -3.50 0.00 -3.21 0.00 -0.00 -0.84 -4.74 115.22 102.93 1nqp n HIS 112 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1nqp n HIS 112 Cb 0.47 -0.79 -0.06 0.00 -0.00 0.00 0.00 29.99 29.61 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 -2.57 3.19 -0.16 2.41 4.77 0.13 -4.94 117.00 119.82 1nqp n LEU 113 Ca -0.25 -5.37 -0.04 0.00 -0.03 0.00 0.00 56.01 50.32 1nqp n LEU 113 Cb 0.98 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.82 1nqp n LEU 113 CO 0.37 2.18 1.00 1.55 -1.33 0.00 0.00 177.39 181.16 1nqp h PRO 114 N 3.63 0.42 -0.88 3.23 0.13 -1.76 -0.85 132.00 135.92 1nqp h PRO 114 Ca 0.15 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1nqp h PRO 114 Cb 0.67 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 1nqp h PRO 114 CO 0.74 0.28 0.51 0.00 -0.23 0.00 0.00 178.00 179.30 1nqp h ALA 115 N 1.28 1.12 0.00 -0.56 0.00 -1.92 -3.07 119.26 116.12 1nqp h ALA 115 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1nqp h ALA 115 Cb 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nqp h ALA 115 CO -0.18 0.60 -0.58 0.93 0.00 0.00 0.00 179.25 180.02 1nqp h GLU 116 N 1.21 0.00 -3.46 0.00 3.07 -1.88 -3.39 114.58 110.13 1nqp h GLU 116 Ca 0.31 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.49 1nqp h GLU 116 Cb -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1nqp h GLU 116 CO -0.05 0.58 3.52 0.34 -1.40 0.00 0.00 179.01 182.00 1nqp n PHE 117 N -3.31 2.90 -1.76 4.33 7.35 -0.35 -4.79 117.46 121.83 1nqp n PHE 117 Ca 0.01 -3.03 -0.30 0.00 -0.76 0.00 0.00 57.45 53.38 1nqp n PHE 117 Cb 0.74 -2.51 0.08 0.00 0.35 0.00 0.00 39.48 38.13 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 2.66 2.81 0.25 -2.13 -4.23 -1.26 -4.77 115.64 108.96 1nqp s THR 118 Ca 0.59 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1nqp s THR 118 Cb 0.16 -3.17 0.24 0.00 1.34 0.00 0.00 72.50 71.08 1nqp s THR 118 CO -0.07 -0.34 1.86 -0.65 -0.54 0.00 0.00 174.62 174.88 1nqp h PRO 119 N -0.97 1.03 -0.40 3.99 0.11 -1.99 0.11 132.00 133.88 1nqp h PRO 119 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1nqp h PRO 119 Cb 1.29 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1nqp h PRO 119 CO 0.63 0.68 0.04 0.00 -0.21 0.00 0.00 178.00 179.14 1nqp h ALA 120 N 1.43 0.54 -0.60 -0.75 0.00 -1.97 -1.62 119.26 116.29 1nqp h ALA 120 Ca 0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1nqp h ALA 120 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nqp h ALA 120 CO -0.18 0.28 -0.00 0.28 0.00 0.00 0.00 179.25 179.63 1nqp h VAL 121 N 0.53 1.26 -0.25 0.00 2.07 -1.75 -1.65 116.25 116.47 1nqp h VAL 121 Ca 0.12 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1nqp h VAL 121 Cb 0.42 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1nqp h VAL 121 CO 0.01 0.42 0.07 -0.74 0.02 0.00 0.00 177.57 177.35 1nqp h HIS 122 N 0.96 0.13 -0.47 1.57 6.17 -0.67 0.09 115.15 122.93 1nqp h HIS 122 Ca 0.17 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.25 1nqp h HIS 122 Cb 0.56 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.44 1nqp h HIS 122 CO 0.04 0.06 0.25 0.00 0.71 0.00 0.00 177.93 178.99 1nqp h ALA 123 N 1.16 0.60 -0.46 5.26 0.00 -1.06 -1.29 119.26 123.47 1nqp h ALA 123 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1nqp h ALA 123 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nqp h ALA 123 CO -0.12 0.13 0.10 0.77 0.00 0.00 0.00 179.25 180.13 1nqp h SER 124 N 0.62 0.72 -0.36 0.00 0.02 -1.01 -2.26 113.55 111.28 1nqp h SER 124 Ca 0.17 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1nqp h SER 124 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1nqp h SER 124 CO -0.03 0.77 0.02 -0.07 -1.14 0.00 0.00 176.83 176.39 1nqp h LEU 125 N 0.63 0.68 -0.40 5.07 3.38 -0.85 -0.47 115.31 123.34 1nqp h LEU 125 Ca 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1nqp h LEU 125 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1nqp h LEU 125 CO 0.00 0.73 0.07 -0.78 0.09 0.00 0.00 178.44 178.56 1nqp h ASP 126 N 0.68 0.64 -0.66 -0.43 3.58 -1.03 -0.62 116.42 118.58 1nqp h ASP 126 Ca 0.14 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 1nqp h ASP 126 Cb 0.39 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1nqp h ASP 126 CO 0.01 0.73 0.20 0.11 -2.88 0.00 0.00 179.24 177.41 1nqp h LYS 127 N 0.52 1.03 -0.12 0.28 1.57 -1.13 -1.09 116.57 117.62 1nqp h LYS 127 Ca 0.12 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1nqp h LYS 127 Cb 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1nqp h LYS 127 CO 0.01 0.91 0.08 0.35 -0.57 0.00 0.00 179.45 180.22 1nqp h PHE 128 N 0.96 0.15 -0.32 -1.35 3.57 -0.84 -0.56 116.94 118.55 1nqp h PHE 128 Ca 0.21 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1nqp h PHE 128 Cb 0.31 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1nqp h PHE 128 CO 0.02 0.09 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.04 1nqp h LEU 129 N 0.16 0.51 -0.67 0.59 3.38 -0.96 -0.50 115.31 117.82 1nqp h LEU 129 Ca 0.04 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1nqp h LEU 129 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1nqp h LEU 129 CO -0.01 0.64 0.15 0.00 0.09 0.00 0.00 178.44 179.30 1nqp h ALA 130 N 1.42 0.89 -0.40 1.53 0.00 -0.80 -0.13 119.26 121.78 1nqp h ALA 130 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1nqp h ALA 130 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1nqp h ALA 130 CO 0.02 0.62 -0.18 0.77 0.00 0.00 0.00 179.25 180.49 1nqp h SER 131 N 1.01 0.84 -0.62 0.00 0.02 -0.52 -0.95 113.55 113.33 1nqp h SER 131 Ca 0.21 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1nqp h SER 131 Cb 0.39 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1nqp h SER 131 CO 0.01 1.06 0.41 0.58 -1.14 0.00 0.00 176.83 177.74 1nqp h VAL 132 N 0.63 1.14 -0.56 2.27 2.07 -0.92 -1.98 116.25 118.90 1nqp h VAL 132 Ca 0.09 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1nqp h VAL 132 Cb 0.73 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1nqp h VAL 132 CO 0.06 0.15 0.36 0.28 0.02 0.00 0.00 177.57 178.44 1nqp h SER 133 N 0.83 0.62 -0.75 0.57 0.02 -0.73 -0.89 113.55 113.22 1nqp h SER 133 Ca 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1nqp h SER 133 Cb -0.07 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1nqp h SER 133 CO -0.06 0.45 0.43 0.74 -1.14 0.00 0.00 176.83 177.25 1nqp h THR 134 N 0.74 1.22 -0.21 -2.27 2.02 -0.82 -1.23 112.91 112.36 1nqp h THR 134 Ca 0.21 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1nqp h THR 134 Cb -0.06 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1nqp h THR 134 CO -0.06 0.24 0.09 0.58 0.37 0.00 0.00 175.52 176.74 1nqp h VAL 135 N 1.04 1.16 0.00 3.16 2.07 -0.90 -1.95 116.25 120.83 1nqp h VAL 135 Ca 0.27 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1nqp h VAL 135 Cb -0.00 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1nqp h VAL 135 CO -0.05 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.63 1nqp h LEU 136 N 0.19 0.00 -1.91 2.57 4.07 -0.91 -2.68 115.31 116.65 1nqp h LEU 136 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1nqp h LEU 136 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1nqp h LEU 136 CO -0.01 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 177.70 1nqp n THR 137 N -2.47 0.16 -3.86 0.22 -2.24 -0.49 -3.09 114.28 102.52 1nqp n THR 137 Ca 0.02 -0.58 -0.37 0.00 -2.27 0.00 0.00 64.05 60.85 1nqp n THR 137 Cb 0.25 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.48 6.42 -0.40 3.42 0.01 -0.75 -4.83 113.70 116.08 1nqp s SER 138 Ca 0.25 0.49 -0.11 0.00 1.31 0.00 0.00 55.95 57.89 1nqp s SER 138 Cb 0.17 -2.07 0.05 0.00 0.21 0.00 0.00 66.02 64.37 1nqp s SER 138 CO 0.24 0.38 0.25 -0.54 0.41 0.00 0.00 173.24 173.98 1nqp s LYS 139 N -1.16 2.76 -0.14 12.44 1.02 -1.26 -4.77 119.74 128.63 1nqp s LYS 139 Ca 0.17 -1.25 0.15 0.00 0.02 0.00 0.00 55.97 55.06 1nqp s LYS 139 Cb -0.12 -3.80 0.33 0.00 -0.52 0.00 0.00 37.83 33.71 1nqp s LYS 139 CO 0.07 -0.83 1.17 2.48 -0.92 0.00 0.00 175.35 177.31 1nqp n TYR 140 N 4.99 0.00 0.00 3.18 0.18 -1.26 -5.17 117.16 119.08 1nqp n TYR 140 Ca -0.11 -1.06 0.00 0.00 1.88 0.00 0.00 57.90 58.60 1nqp n TYR 140 Cb 0.45 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 1nqp n TYR 140 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32