#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 n MET 2 N 0.00 1.75 0.27 4.33 0.00 -1.26 -4.45 117.12 117.76 2qp0 n MET 2 Ca 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 57.70 56.75 2qp0 n MET 2 Cb 0.00 -2.16 0.78 0.00 0.00 0.00 0.00 33.22 31.84 2qp0 n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 2qp0 h GLN 3 N 5.28 0.00 -3.70 2.12 4.20 -2.07 -3.35 115.11 117.58 2qp0 h GLN 3 Ca 0.34 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.44 2qp0 h GLN 3 Cb 0.51 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.89 2qp0 h GLN 3 CO 0.95 0.09 -0.74 0.34 -0.67 0.00 0.00 178.83 178.79 2qp0 s ASP 4 N -6.03 4.13 0.02 1.46 3.68 -1.26 -5.00 116.67 113.67 2qp0 s ASP 4 Ca -0.03 -1.95 -0.23 0.00 2.13 0.00 0.00 52.55 52.47 2qp0 s ASP 4 Cb 0.13 -1.08 -0.17 0.00 -1.45 0.00 0.00 42.92 40.35 2qp0 s ASP 4 CO 0.56 -0.38 1.37 1.55 0.13 0.00 0.00 175.17 178.40 2qp0 h PRO 5 N 7.72 0.13 -0.48 4.34 0.13 -1.97 -3.29 132.00 138.59 2qp0 h PRO 5 Ca -0.09 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 65.08 2qp0 h PRO 5 Cb 1.00 -0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.03 2qp0 h PRO 5 CO 0.49 0.51 -0.22 0.82 -0.23 0.00 0.00 178.00 179.37 2qp0 h ILE 6 N -0.24 0.36 -0.75 -3.56 1.08 -1.96 -1.19 117.51 111.25 2qp0 h ILE 6 Ca 0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.65 2qp0 h ILE 6 Cb 0.46 0.36 -0.12 0.00 -3.07 0.00 0.00 36.82 34.45 2qp0 h ILE 6 CO 0.01 0.00 0.15 0.00 -0.69 0.00 0.00 178.15 177.62 2qp0 h ALA 7 N 1.20 0.95 -0.51 1.87 0.00 -1.99 -1.08 119.26 119.70 2qp0 h ALA 7 Ca 0.22 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.42 2qp0 h ALA 7 Cb 0.46 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 2qp0 h ALA 7 CO -0.55 -0.37 -0.11 0.22 0.00 0.00 0.00 179.25 178.44 2qp0 h ASP 8 N 0.23 -0.45 0.19 0.00 1.82 -1.28 0.11 116.42 117.05 2qp0 h ASP 8 Ca 0.43 0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 57.21 2qp0 h ASP 8 Cb 0.75 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 2qp0 h ASP 8 CO -0.55 -0.16 -0.14 -0.03 -1.61 0.00 0.00 179.24 176.75 2qp0 h MET 9 N 0.01 -0.32 0.27 0.28 4.05 -1.16 0.35 114.93 118.40 2qp0 h MET 9 Ca 0.25 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2qp0 h MET 9 Cb 0.38 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 2qp0 h MET 9 CO -0.52 -0.22 -0.48 -0.07 0.23 0.00 0.00 176.91 175.85 2qp0 h LEU 10 N -0.33 -1.40 -0.19 3.39 3.38 -0.95 -1.14 115.31 118.07 2qp0 h LEU 10 Ca -0.01 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qp0 h LEU 10 Cb 0.29 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2qp0 h LEU 10 CO 0.00 -0.58 0.02 0.71 0.09 0.00 0.00 178.44 178.69 2qp0 h THR 11 N -0.82 0.90 -0.29 0.22 1.35 -0.74 -1.36 112.91 112.17 2qp0 h THR 11 Ca -0.02 -0.03 0.08 0.00 -0.55 0.00 0.00 66.41 65.89 2qp0 h THR 11 Cb 0.78 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2qp0 h THR 11 CO -0.19 0.02 0.32 0.03 -0.25 0.00 0.00 175.52 175.45 2qp0 h ARG 12 N 0.10 0.00 0.15 4.72 3.08 -0.07 -1.68 114.38 120.68 2qp0 h ARG 12 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2qp0 h ARG 12 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2qp0 h ARG 12 CO -0.13 0.00 -0.07 0.82 -1.07 0.00 0.00 179.97 179.52 2qp0 h ILE 13 N 0.00 0.00 -0.78 2.04 2.04 -0.06 -2.80 117.51 117.95 2qp0 h ILE 13 Ca 0.14 -0.34 0.12 0.00 1.00 0.00 0.00 64.86 65.78 2qp0 h ILE 13 Cb 0.77 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2qp0 h ILE 13 CO -0.00 0.00 0.38 0.08 0.00 0.00 0.00 178.15 178.61 2qp0 h ARG 14 N -0.54 0.57 -0.42 2.37 0.11 -1.30 0.11 114.38 115.29 2qp0 h ARG 14 Ca -0.02 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.07 2qp0 h ARG 14 Cb 0.15 -0.13 -0.04 0.00 1.11 0.00 0.00 29.97 31.06 2qp0 h ARG 14 CO 0.03 0.38 0.17 -0.91 0.10 0.00 0.00 179.97 179.74 2qp0 h ASN 15 N 0.59 0.21 -0.07 0.08 2.35 -1.44 -0.27 115.58 117.01 2qp0 h ASN 15 Ca 0.41 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.19 2qp0 h ASN 15 Cb 0.53 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2qp0 h ASN 15 CO -0.33 0.15 0.02 1.23 -1.65 0.00 0.00 177.43 176.86 2qp0 h GLY 16 N 0.35 0.12 0.24 2.83 0.00 -0.92 -2.32 103.07 103.38 2qp0 h GLY 16 Ca 0.19 -0.07 0.22 0.00 0.00 0.00 0.00 47.33 47.67 2qp0 h GLY 16 CO -0.18 0.07 0.61 1.46 0.00 0.00 0.00 176.54 178.50 2qp0 h GLN 17 N -0.07 0.33 -0.18 4.80 1.08 -0.38 -0.10 115.11 120.60 2qp0 h GLN 17 Ca 0.02 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 2qp0 h GLN 17 Cb 0.21 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2qp0 h GLN 17 CO -0.00 0.22 -0.31 0.00 -0.95 0.00 0.00 178.83 177.79 2qp0 h ALA 18 N 1.60 0.28 -0.01 3.87 0.00 -0.66 -3.00 119.26 121.34 2qp0 h ALA 18 Ca 0.48 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qp0 h ALA 18 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qp0 h ALA 18 CO -0.16 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2qp0 n ALA 19 N -2.49 2.58 -2.95 0.00 0.00 -0.19 -4.95 120.51 112.51 2qp0 n ALA 19 Ca -0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2qp0 n ALA 19 Cb 0.48 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.72 2qp0 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qp0 n ASN 20 N -0.69 -7.46 -4.13 0.00 4.13 -0.35 -5.04 115.26 101.72 2qp0 n ASN 20 Ca 0.11 0.68 -0.20 0.00 1.68 0.00 0.00 54.58 56.85 2qp0 n ASN 20 Cb 0.06 -4.40 -0.13 0.00 -1.54 0.00 0.00 39.78 33.76 2qp0 n ASN 20 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qp0 s LYS 21 N -2.13 0.91 0.00 3.52 1.02 -1.19 -5.03 119.74 116.83 2qp0 s LYS 21 Ca 0.17 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2qp0 s LYS 21 Cb -0.04 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2qp0 s LYS 21 CO 0.71 0.22 0.84 0.00 -0.92 0.00 0.00 175.35 176.21 2qp0 n ALA 22 N 1.98 -0.20 -3.00 5.17 0.00 -1.26 -4.58 120.51 118.62 2qp0 n ALA 22 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qp0 n ALA 22 Cb 0.55 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2qp0 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp0 n ALA 23 N -1.88 0.00 -3.58 0.00 0.00 -1.26 -0.10 120.51 113.69 2qp0 n ALA 23 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2qp0 n ALA 23 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2qp0 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qp0 s VAL 24 N 1.26 -0.00 0.08 0.00 0.11 0.50 -4.69 120.40 117.66 2qp0 s VAL 24 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2qp0 s VAL 24 Cb 0.00 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2qp0 s VAL 24 CO 0.00 0.00 0.21 -0.89 -3.33 0.00 0.00 175.10 171.09 2qp0 s THR 25 N 0.50 5.28 0.00 5.04 2.01 -1.26 -2.51 115.64 124.69 2qp0 s THR 25 Ca -0.01 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2qp0 s THR 25 Cb -0.05 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2qp0 s THR 25 CO -0.01 0.09 0.00 1.15 -0.69 0.00 0.00 174.62 175.16 2qp0 n MET 26 N 0.14 0.00 -2.01 4.92 0.00 -1.25 -4.96 117.12 113.96 2qp0 n MET 26 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.22 2qp0 n MET 26 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.71 2qp0 n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qp0 s PRO 27 N -1.29 3.74 0.79 3.17 0.04 -1.26 -0.97 135.00 139.21 2qp0 s PRO 27 Ca 0.00 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 2qp0 s PRO 27 Cb 0.00 -4.09 0.07 0.00 0.04 0.00 0.00 34.50 30.51 2qp0 s PRO 27 CO 0.00 -1.37 1.12 -1.54 0.04 0.00 0.00 177.00 175.25 2qp0 s SER 28 N 4.78 4.63 0.16 6.66 1.04 -0.88 -4.93 113.70 125.16 2qp0 s SER 28 Ca 0.77 1.08 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 2qp0 s SER 28 Cb -0.28 -1.75 0.01 0.00 0.10 0.00 0.00 66.02 64.10 2qp0 s SER 28 CO 0.31 -1.85 0.34 -0.94 0.98 0.00 0.00 173.24 172.08 2qp0 s SER 29 N -4.22 -0.05 0.17 7.02 1.04 -1.26 -4.81 113.70 111.59 2qp0 s SER 29 Ca 0.61 -0.70 -0.25 0.00 0.48 0.00 0.00 55.95 56.09 2qp0 s SER 29 Cb -0.13 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2qp0 s SER 29 CO 0.52 -0.91 1.43 1.17 0.98 0.00 0.00 173.24 176.43 2qp0 n LYS 30 N -0.23 -0.35 -0.01 4.02 4.81 -1.26 -1.59 118.16 123.55 2qp0 n LYS 30 Ca -0.10 1.40 -0.13 0.00 -0.87 0.00 0.00 58.31 58.62 2qp0 n LYS 30 Cb 0.63 -2.07 -0.09 0.00 0.02 0.00 0.00 35.03 33.52 2qp0 n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qp0 h LEU 31 N 0.00 0.05 -1.57 3.14 5.85 -2.00 -3.06 115.31 117.71 2qp0 h LEU 31 Ca 0.20 -0.42 0.42 0.00 0.84 0.00 0.00 57.88 58.91 2qp0 h LEU 31 Cb 0.43 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 2qp0 h LEU 31 CO -0.88 0.47 0.92 0.11 -0.34 0.00 0.00 178.44 178.71 2qp0 h LYS 32 N -0.36 0.10 0.27 1.25 1.57 -1.70 -1.14 116.57 116.56 2qp0 h LYS 32 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2qp0 h LYS 32 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2qp0 h LYS 32 CO 0.00 0.07 -0.13 0.28 -0.57 0.00 0.00 179.45 179.10 2qp0 h VAL 33 N 0.10 0.00 -0.96 0.50 2.07 -1.19 -1.55 116.25 115.22 2qp0 h VAL 33 Ca 0.77 -0.21 0.29 0.00 0.82 0.00 0.00 66.70 68.38 2qp0 h VAL 33 Cb 2.58 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.20 2qp0 h VAL 33 CO -0.28 0.00 0.47 0.00 0.02 0.00 0.00 177.57 177.77 2qp0 h ALA 34 N -1.62 1.73 -0.04 1.67 0.00 -1.25 0.38 119.26 120.13 2qp0 h ALA 34 Ca -0.04 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qp0 h ALA 34 Cb 0.28 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qp0 h ALA 34 CO 0.06 -0.52 0.01 0.82 0.00 0.00 0.00 179.25 179.62 2qp0 h ILE 35 N 0.31 1.21 -0.81 0.00 2.04 -1.31 -2.67 117.51 116.28 2qp0 h ILE 35 Ca 0.67 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.92 2qp0 h ILE 35 Cb 1.46 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 2qp0 h ILE 35 CO -0.61 0.17 0.53 0.00 0.00 0.00 0.00 178.15 178.24 2qp0 h ALA 36 N 0.76 1.48 0.00 1.87 0.00 0.49 -2.38 119.26 121.48 2qp0 h ALA 36 Ca 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qp0 h ALA 36 Cb 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2qp0 h ALA 36 CO 0.00 0.46 -0.22 -0.97 0.00 0.00 0.00 179.25 178.52 2qp0 h ASN 37 N 1.03 -0.64 -0.88 0.00 -0.00 -0.21 -1.52 115.58 113.37 2qp0 h ASN 37 Ca 0.31 0.09 0.11 0.00 -0.00 0.00 0.00 56.30 56.81 2qp0 h ASN 37 Cb -0.03 0.26 -0.06 0.00 -0.00 0.00 0.00 38.32 38.49 2qp0 h ASN 37 CO -0.08 -0.28 0.57 0.58 -0.00 0.00 0.00 177.43 178.21 2qp0 h VAL 38 N -0.34 0.93 0.00 2.57 2.07 -1.10 0.25 116.25 120.62 2qp0 h VAL 38 Ca 0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2qp0 h VAL 38 Cb 0.42 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qp0 h VAL 38 CO -0.20 0.15 -0.08 -0.07 0.02 0.00 0.00 177.57 177.40 2qp0 h LEU 39 N 0.81 0.00 0.00 2.57 3.38 -0.87 -1.06 115.31 120.15 2qp0 h LEU 39 Ca 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 2qp0 h LEU 39 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2qp0 h LEU 39 CO -0.18 0.08 -0.39 0.50 0.09 0.00 0.00 178.44 178.54 2qp0 h LYS 40 N 0.00 0.00 0.00 1.13 3.64 -0.24 -1.11 116.57 119.99 2qp0 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qp0 h LYS 40 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2qp0 h LYS 40 CO 0.01 0.25 0.15 0.39 -2.27 0.00 0.00 179.45 177.98 2qp0 n GLU 41 N -4.64 0.05 0.00 1.90 -0.58 0.59 -0.87 120.64 117.09 2qp0 n GLU 41 Ca -0.09 0.48 0.05 0.00 -0.42 0.00 0.00 57.16 57.19 2qp0 n GLU 41 Cb 0.26 -1.82 -0.05 0.00 -0.57 0.00 0.00 31.44 29.26 2qp0 n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qp0 n GLU 42 N -1.73 3.17 -0.71 3.49 -0.58 -0.41 -5.05 120.64 118.82 2qp0 n GLU 42 Ca -0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2qp0 n GLU 42 Cb 0.16 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 2qp0 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qp0 n GLY 43 N 1.19 0.27 0.00 0.62 0.00 -0.05 -5.03 105.19 102.19 2qp0 n GLY 43 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2qp0 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qp0 n PHE 44 N -0.45 0.00 -3.81 1.61 3.72 -0.43 -4.98 117.46 113.12 2qp0 n PHE 44 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2qp0 n PHE 44 Cb 0.22 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.64 2qp0 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qp0 s ILE 45 N 0.00 0.02 0.00 4.37 -4.36 -1.17 -3.24 121.20 116.81 2qp0 s ILE 45 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.26 2qp0 s ILE 45 Cb 0.00 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.39 2qp0 s ILE 45 CO 0.00 -0.07 0.87 1.21 0.24 0.00 0.00 174.94 177.19 2qp0 n GLU 46 N 2.68 0.00 -0.11 0.37 0.00 -1.19 -4.52 120.64 117.87 2qp0 n GLU 46 Ca -0.14 0.52 0.00 0.00 0.00 0.00 0.00 57.16 57.53 2qp0 n GLU 46 Cb 0.58 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.65 2qp0 n GLU 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qp0 n ASP 47 N -1.86 0.00 -3.55 4.31 10.43 -1.26 -4.97 116.55 119.65 2qp0 n ASP 47 Ca 0.00 -0.07 -0.09 0.00 2.57 0.00 0.00 54.79 57.20 2qp0 n ASP 47 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 2qp0 n ASP 47 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2qp0 s PHE 48 N -2.30 -0.34 0.11 1.24 -0.71 -1.26 -1.64 117.98 113.09 2qp0 s PHE 48 Ca 0.00 0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 56.28 2qp0 s PHE 48 Cb 0.00 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 2qp0 s PHE 48 CO 0.00 -0.42 0.04 0.21 -1.34 0.00 0.00 175.22 173.72 2qp0 s LYS 49 N -2.10 0.85 -0.50 1.99 2.47 -1.15 -4.91 119.74 116.39 2qp0 s LYS 49 Ca 0.02 -1.36 0.03 0.00 -1.56 0.00 0.00 55.97 53.10 2qp0 s LYS 49 Cb -0.01 0.24 0.15 0.00 -1.46 0.00 0.00 37.83 36.76 2qp0 s LYS 49 CO -0.03 -0.23 0.34 0.54 0.16 0.00 0.00 175.35 176.13 2qp0 s VAL 50 N -4.01 1.49 0.76 4.02 0.11 -1.26 0.95 120.40 122.46 2qp0 s VAL 50 Ca 0.19 -3.04 -0.11 0.00 -2.93 0.00 0.00 61.98 56.09 2qp0 s VAL 50 Cb 0.07 -2.02 0.05 0.00 -1.53 0.00 0.00 36.38 32.95 2qp0 s VAL 50 CO -0.02 -1.02 1.08 -0.70 -3.33 0.00 0.00 175.10 171.11 2qp0 s GLU 51 N -0.21 2.40 0.01 1.54 -6.30 -1.26 -4.64 118.70 110.24 2qp0 s GLU 51 Ca 0.24 0.93 0.00 0.00 -2.50 0.00 0.00 54.97 53.63 2qp0 s GLU 51 Cb -0.11 -1.93 0.00 0.00 0.00 0.00 0.00 34.13 32.09 2qp0 s GLU 51 CO -0.10 -1.47 0.00 0.41 0.02 0.00 0.00 175.26 174.12 2qp0 n GLY 52 N -1.73 -3.67 0.12 -1.50 0.00 -1.26 -0.09 105.19 97.07 2qp0 n GLY 52 Ca 0.08 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 2qp0 n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qp0 h ASP 53 N 0.18 0.27 -0.04 1.61 3.32 -1.99 -3.28 116.42 116.50 2qp0 h ASP 53 Ca 0.00 -0.79 -0.07 0.00 0.02 0.00 0.00 57.03 56.19 2qp0 h ASP 53 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2qp0 h ASP 53 CO 0.00 1.59 -0.26 0.00 -1.72 0.00 0.00 179.24 178.85 2qp0 h THR 54 N -0.46 1.47 -3.56 0.35 1.03 -2.01 -3.41 112.91 106.33 2qp0 h THR 54 Ca -0.32 -1.77 -0.64 0.00 -0.01 0.00 0.00 66.41 63.67 2qp0 h THR 54 Cb 1.65 2.49 -0.40 0.00 -1.07 0.00 0.00 68.15 70.82 2qp0 h THR 54 CO -0.01 0.49 -0.73 -0.54 -0.01 0.00 0.00 175.52 174.73 2qp0 s LYS 55 N -3.48 1.31 0.15 0.00 1.02 -1.26 -5.11 119.74 112.37 2qp0 s LYS 55 Ca -0.15 -1.70 -0.31 0.00 0.02 0.00 0.00 55.97 53.83 2qp0 s LYS 55 Cb 0.02 -2.92 -0.08 0.00 -0.52 0.00 0.00 37.83 34.33 2qp0 s LYS 55 CO 0.75 -0.95 1.37 -1.25 -0.92 0.00 0.00 175.35 174.34 2qp0 s PRO 56 N 1.05 4.34 0.00 -1.68 0.04 -1.23 -4.33 135.00 133.19 2qp0 s PRO 56 Ca 0.11 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2qp0 s PRO 56 Cb -0.19 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2qp0 s PRO 56 CO -0.12 -0.37 0.00 0.39 0.04 0.00 0.00 177.00 176.94 2qp0 n GLU 57 N 3.37 3.35 -3.15 4.56 4.71 0.87 -2.07 120.64 132.28 2qp0 n GLU 57 Ca 0.09 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.28 2qp0 n GLU 57 Cb 0.42 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.85 2qp0 n GLU 57 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2qp0 s LEU 58 N 0.00 -1.40 -1.15 -4.62 0.20 -0.15 -3.32 118.68 108.24 2qp0 s LEU 58 Ca 0.00 -0.07 -0.07 0.00 0.69 0.00 0.00 54.13 54.67 2qp0 s LEU 58 Cb 0.00 1.85 -0.08 0.00 -0.43 0.00 0.00 46.19 47.53 2qp0 s LEU 58 CO 0.00 -0.23 2.50 -0.62 -0.29 0.00 0.00 176.35 177.71 2qp0 n GLU 59 N 5.06 2.70 -2.01 1.98 1.02 0.27 -3.89 120.64 125.78 2qp0 n GLU 59 Ca 0.07 -1.71 -0.43 0.00 -0.02 0.00 0.00 57.16 55.07 2qp0 n GLU 59 Cb 0.56 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.39 2qp0 n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qp0 s LEU 60 N 0.12 3.51 -0.04 -4.62 2.96 -1.05 -2.92 118.68 116.65 2qp0 s LEU 60 Ca 0.52 1.31 -0.28 0.00 -0.22 0.00 0.00 54.13 55.46 2qp0 s LEU 60 Cb 0.14 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 2qp0 s LEU 60 CO -0.04 -1.69 0.91 -0.89 -1.32 0.00 0.00 176.35 173.32 2qp0 s THR 61 N 6.79 4.90 0.29 3.68 2.01 -0.65 -0.37 115.64 132.29 2qp0 s THR 61 Ca 0.79 1.89 -0.23 0.00 0.31 0.00 0.00 61.69 64.45 2qp0 s THR 61 Cb -0.22 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 2qp0 s THR 61 CO 0.34 0.15 0.86 -0.76 -0.69 0.00 0.00 174.62 174.51 2qp0 s LEU 62 N 1.19 4.33 0.05 4.42 1.02 0.86 -3.20 118.68 127.34 2qp0 s LEU 62 Ca 0.47 1.67 0.06 0.00 0.02 0.00 0.00 54.13 56.35 2qp0 s LEU 62 Cb -0.20 -3.87 -0.03 0.00 0.02 0.00 0.00 46.19 42.11 2qp0 s LEU 62 CO 0.23 -0.04 -0.13 -0.75 0.02 0.00 0.00 176.35 175.68 2qp0 s LYS 63 N -2.07 2.20 0.30 1.70 2.20 -1.20 -4.52 119.74 118.35 2qp0 s LYS 63 Ca 0.48 -0.93 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2qp0 s LYS 63 Cb -0.17 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 2qp0 s LYS 63 CO 0.22 0.55 0.15 0.71 -0.36 0.00 0.00 175.35 176.62 2qp0 s TYR 64 N -1.01 1.59 0.00 4.03 1.51 -1.26 -2.54 117.35 119.66 2qp0 s TYR 64 Ca 0.17 -1.34 0.00 0.00 -1.01 0.00 0.00 57.07 54.89 2qp0 s TYR 64 Cb -0.11 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 2qp0 s TYR 64 CO 0.08 -0.49 0.00 0.34 -1.11 0.00 0.00 175.55 174.37 2qp0 n PHE 65 N -0.57 0.00 0.00 2.71 7.35 -0.83 -4.67 117.46 121.45 2qp0 n PHE 65 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2qp0 n PHE 65 Cb 0.65 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.48 2qp0 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qp0 n GLN 66 N 0.00 0.00 -0.29 -4.13 3.00 -1.26 -4.70 117.38 109.99 2qp0 n GLN 66 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2qp0 n GLN 66 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 30.24 30.38 2qp0 n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qp0 n GLY 67 N 2.91 1.80 3.22 1.08 0.00 -1.26 -4.85 105.19 108.09 2qp0 n GLY 67 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2qp0 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qp0 s LYS 68 N -1.63 1.19 0.24 1.61 2.47 -1.26 -5.15 119.74 117.21 2qp0 s LYS 68 Ca 0.19 -1.62 -0.16 0.00 -1.56 0.00 0.00 55.97 52.82 2qp0 s LYS 68 Cb 0.14 0.11 -0.08 0.00 -1.46 0.00 0.00 37.83 36.53 2qp0 s LYS 68 CO 0.06 -0.32 0.68 0.00 0.16 0.00 0.00 175.35 175.93 2qp0 s ALA 69 N -4.01 3.42 0.09 3.13 0.00 -1.26 -1.97 121.76 121.16 2qp0 s ALA 69 Ca 0.35 0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.09 2qp0 s ALA 69 Cb 0.07 -2.72 -0.13 0.00 0.00 0.00 0.00 23.12 20.34 2qp0 s ALA 69 CO 0.10 0.37 1.69 0.28 0.00 0.00 0.00 175.76 178.20 2qp0 h VAL 70 N 2.43 0.73 -0.51 0.00 2.07 -1.76 -3.36 116.25 115.85 2qp0 h VAL 70 Ca -0.48 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 2qp0 h VAL 70 Cb 1.18 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2qp0 h VAL 70 CO 0.66 0.00 0.43 -0.69 0.02 0.00 0.00 177.57 177.99 2qp0 s VAL 71 N -6.14 3.25 0.35 2.57 1.01 -1.26 -4.74 120.40 115.44 2qp0 s VAL 71 Ca -0.15 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.70 2qp0 s VAL 71 Cb 0.06 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.84 2qp0 s VAL 71 CO 0.65 -0.52 1.78 1.05 0.00 0.00 0.00 175.10 178.06 2qp0 h GLU 72 N 11.73 0.04 -1.35 2.72 9.09 -1.83 -3.46 114.58 131.52 2qp0 h GLU 72 Ca 0.06 -0.02 0.12 0.00 0.05 0.00 0.00 59.36 59.58 2qp0 h GLU 72 Cb 1.00 -0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 27.80 2qp0 h GLU 72 CO 1.12 0.45 0.65 0.45 0.05 0.00 0.00 179.01 181.72 2qp0 s SER 73 N -6.91 -0.27 -0.23 3.06 0.15 -1.26 -5.04 113.70 103.20 2qp0 s SER 73 Ca -0.03 0.51 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 2qp0 s SER 73 Cb 0.14 0.56 0.11 0.00 -1.71 0.00 0.00 66.02 65.12 2qp0 s SER 73 CO 0.74 -0.09 0.46 -0.51 1.20 0.00 0.00 173.24 175.04 2qp0 s ILE 74 N 0.22 -0.72 0.15 6.45 2.07 -1.26 0.02 121.20 128.12 2qp0 s ILE 74 Ca 0.04 0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 2qp0 s ILE 74 Cb -0.05 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 2qp0 s ILE 74 CO -0.11 0.03 -0.14 -1.10 -1.91 0.00 0.00 174.94 171.72 2qp0 s GLN 75 N 2.67 1.12 0.50 3.50 1.11 -1.26 -4.83 119.66 122.46 2qp0 s GLN 75 Ca 0.00 -1.36 -0.20 0.00 0.01 0.00 0.00 55.36 53.81 2qp0 s GLN 75 Cb -0.13 -0.95 -0.08 0.00 -1.01 0.00 0.00 33.01 30.85 2qp0 s GLN 75 CO -0.15 0.17 1.03 0.50 0.01 0.00 0.00 175.29 176.86 2qp0 s ARG 76 N -3.06 3.77 0.00 2.91 6.06 -1.26 -2.39 118.95 124.98 2qp0 s ARG 76 Ca 0.14 1.30 0.00 0.00 -2.50 0.00 0.00 55.73 54.67 2qp0 s ARG 76 Cb -0.03 -2.09 0.00 0.00 0.06 0.00 0.00 34.95 32.89 2qp0 s ARG 76 CO 0.04 -0.45 0.00 0.28 -2.50 0.00 0.00 175.30 172.67 2qp0 n VAL 77 N -1.11 0.00 -0.74 7.11 0.31 0.03 -4.83 118.33 119.10 2qp0 n VAL 77 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.31 2qp0 n VAL 77 Cb 0.53 -0.57 -0.11 0.00 -0.91 0.00 0.00 33.84 32.78 2qp0 n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qp0 n SER 78 N -1.15 4.07 -4.47 4.52 2.88 -1.22 -4.87 113.62 113.38 2qp0 n SER 78 Ca 0.00 -2.23 -0.32 0.00 -1.33 0.00 0.00 58.87 54.99 2qp0 n SER 78 Cb 0.00 -1.05 0.14 0.00 -0.75 0.00 0.00 64.21 62.56 2qp0 n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2qp0 n ARG 79 N 2.81 -0.54 -0.90 -1.46 1.85 -1.25 -4.55 116.66 112.62 2qp0 n ARG 79 Ca 0.34 -0.11 -0.29 0.00 -1.00 0.00 0.00 57.85 56.79 2qp0 n ARG 79 Cb 0.60 -1.99 0.20 0.00 -1.05 0.00 0.00 32.46 30.23 2qp0 n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2qp0 s PRO 80 N -3.90 -0.03 -0.40 2.89 0.04 -1.26 -2.77 135.00 129.57 2qp0 s PRO 80 Ca 0.60 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2qp0 s PRO 80 Cb -0.21 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2qp0 s PRO 80 CO 0.65 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 175.00 2qp0 n GLY 81 N -0.28 0.36 2.67 0.56 0.00 -1.26 -4.58 105.19 102.66 2qp0 n GLY 81 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2qp0 n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qp0 n LEU 82 N -0.48 -1.36 -4.61 0.99 -0.00 -1.14 -5.16 117.00 105.24 2qp0 n LEU 82 Ca -0.04 -2.02 -0.29 0.00 -0.00 0.00 0.00 56.01 53.66 2qp0 n LEU 82 Cb 0.44 0.90 0.19 0.00 -0.00 0.00 0.00 43.42 44.95 2qp0 n LEU 82 CO 0.06 1.64 0.61 -0.13 -0.00 0.00 0.00 177.39 179.56 2qp0 s ARG 83 N 0.09 0.26 -0.13 1.96 1.81 -1.11 -3.78 118.95 118.04 2qp0 s ARG 83 Ca 0.22 1.05 -0.04 0.00 -1.72 0.00 0.00 55.73 55.24 2qp0 s ARG 83 Cb 0.28 -1.68 0.07 0.00 -0.45 0.00 0.00 34.95 33.17 2qp0 s ARG 83 CO -0.17 -2.99 0.19 0.42 -0.68 0.00 0.00 175.30 172.07 2qp0 s ILE 84 N -2.65 -0.30 -0.07 1.52 1.01 -1.26 -4.93 121.20 114.52 2qp0 s ILE 84 Ca 0.67 0.16 0.05 0.00 0.00 0.00 0.00 60.65 61.52 2qp0 s ILE 84 Cb -0.22 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 2qp0 s ILE 84 CO 0.60 0.01 -0.22 -0.31 0.00 0.00 0.00 174.94 175.02 2qp0 s TYR 85 N 2.32 2.23 0.12 3.97 1.51 -1.26 -2.07 117.35 124.17 2qp0 s TYR 85 Ca 0.04 -0.77 0.07 0.00 -1.01 0.00 0.00 57.07 55.40 2qp0 s TYR 85 Cb -0.13 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2qp0 s TYR 85 CO -0.08 -0.28 -0.17 0.15 -1.11 0.00 0.00 175.55 174.06 2qp0 s LYS 86 N 0.13 1.10 0.58 -0.62 -0.14 -1.22 -4.99 119.74 114.58 2qp0 s LYS 86 Ca -0.10 -1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 53.25 2qp0 s LYS 86 Cb -0.15 -1.13 0.03 0.00 -1.68 0.00 0.00 37.83 34.90 2qp0 s LYS 86 CO 0.05 0.24 0.84 1.03 -0.76 0.00 0.00 175.35 176.75 2qp0 s ARG 87 N -2.43 2.60 0.36 1.68 0.52 -1.26 -1.84 118.95 118.58 2qp0 s ARG 87 Ca 0.09 -0.46 0.15 0.00 -0.52 0.00 0.00 55.73 54.99 2qp0 s ARG 87 Cb -0.07 -2.38 1.03 0.00 0.52 0.00 0.00 34.95 34.05 2qp0 s ARG 87 CO 0.04 -0.78 1.74 1.57 0.02 0.00 0.00 175.30 177.89 2qp0 h LYS 88 N -0.10 0.44 -0.91 3.54 2.10 -1.90 0.98 116.57 120.71 2qp0 h LYS 88 Ca -0.44 -0.03 -0.32 0.00 -2.00 0.00 0.00 60.65 57.86 2qp0 h LYS 88 Cb 1.29 -0.10 -0.19 0.00 -0.90 0.00 0.00 32.23 32.33 2qp0 h LYS 88 CO 0.57 0.29 0.41 -0.40 -2.00 0.00 0.00 179.45 178.31 2qp0 n ASP 89 N -4.77 3.96 0.00 7.07 5.68 -1.26 -3.99 116.55 123.24 2qp0 n ASP 89 Ca 0.27 -3.19 0.00 0.00 -0.50 0.00 0.00 54.79 51.37 2qp0 n ASP 89 Cb 0.86 -0.75 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2qp0 n ASP 89 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2qp0 n GLU 90 N -0.52 2.36 -1.72 0.11 4.07 0.33 -5.06 120.64 120.22 2qp0 n GLU 90 Ca 0.43 0.00 -0.60 0.00 -0.06 0.00 0.00 57.16 56.93 2qp0 n GLU 90 Cb 1.37 -0.79 -0.08 0.00 -0.06 0.00 0.00 31.44 31.88 2qp0 n GLU 90 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qp0 n LEU 91 N -1.31 2.08 -4.73 4.31 4.77 -0.61 -4.83 117.00 116.67 2qp0 n LEU 91 Ca 0.00 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.79 2qp0 n LEU 91 Cb 0.25 -1.07 0.18 0.00 -2.33 0.00 0.00 43.42 40.46 2qp0 n LEU 91 CO 0.00 -0.54 0.70 -2.16 -1.33 0.00 0.00 177.39 174.06 2qp0 s PRO 92 N 3.39 0.17 -0.33 3.23 0.04 -1.26 -5.06 135.00 135.18 2qp0 s PRO 92 Ca 1.00 0.07 0.02 0.00 0.04 0.00 0.00 61.00 62.14 2qp0 s PRO 92 Cb -1.18 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 31.71 2qp0 s PRO 92 CO 0.70 -2.81 0.06 0.15 0.04 0.00 0.00 177.00 175.14 2qp0 s LYS 93 N -5.39 1.23 0.04 4.56 1.02 -1.26 -4.89 119.74 115.05 2qp0 s LYS 93 Ca 0.68 -1.60 -0.33 0.00 0.02 0.00 0.00 55.97 54.74 2qp0 s LYS 93 Cb -0.12 -2.80 -0.12 0.00 -0.52 0.00 0.00 37.83 34.28 2qp0 s LYS 93 CO 0.55 -0.95 1.82 0.28 -0.92 0.00 0.00 175.35 176.13 2qp0 n VAL 94 N 4.45 0.42 -3.95 3.17 0.31 -1.26 -2.62 118.33 118.86 2qp0 n VAL 94 Ca 0.02 -0.08 -0.27 0.00 -0.01 0.00 0.00 64.34 64.00 2qp0 n VAL 94 Cb 0.42 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 2qp0 n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qp0 n MET 95 N 5.80 -2.82 -1.12 5.55 0.00 -1.26 -0.54 117.12 122.73 2qp0 n MET 95 Ca 0.20 0.38 -0.09 0.00 -0.00 0.00 0.00 57.70 58.19 2qp0 n MET 95 Cb 0.33 -4.36 -0.04 0.00 0.00 0.00 0.00 33.22 29.16 2qp0 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qp0 n ALA 96 N -4.41 -0.13 0.00 -5.12 0.00 -1.08 -0.81 120.51 108.96 2qp0 n ALA 96 Ca -0.28 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qp0 n ALA 96 Cb 0.67 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2qp0 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qp0 n GLY 97 N 0.05 0.90 0.00 0.00 0.00 0.30 -4.93 105.19 101.51 2qp0 n GLY 97 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2qp0 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qp0 n LEU 98 N 0.00 0.00 -4.56 0.99 4.77 0.01 -4.73 117.00 113.48 2qp0 n LEU 98 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2qp0 n LEU 98 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2qp0 n LEU 98 CO 0.00 0.00 -0.18 -0.83 -1.33 0.00 0.00 177.39 175.05 2qp0 s GLY 99 N -1.83 2.79 0.07 -0.72 0.00 -0.51 -4.94 107.32 102.19 2qp0 s GLY 99 Ca 0.17 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 43.98 2qp0 s GLY 99 CO 0.13 -1.88 -0.18 -0.26 0.00 0.00 0.00 173.10 170.91 2qp0 s ILE 100 N -3.13 1.47 -0.39 0.90 -4.36 0.23 -4.54 121.20 111.37 2qp0 s ILE 100 Ca 0.19 -1.34 0.03 0.00 -0.26 0.00 0.00 60.65 59.27 2qp0 s ILE 100 Cb 0.01 -1.34 0.11 0.00 1.25 0.00 0.00 42.46 42.50 2qp0 s ILE 100 CO 0.13 -0.04 0.14 0.00 0.24 0.00 0.00 174.94 175.41 2qp0 s ALA 101 N -1.07 2.64 -0.01 2.27 0.00 -1.26 -2.14 121.76 122.19 2qp0 s ALA 101 Ca 0.04 -2.58 -0.30 0.00 0.00 0.00 0.00 51.96 49.12 2qp0 s ALA 101 Cb -0.09 -1.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.01 2qp0 s ALA 101 CO 0.03 -1.82 1.86 0.08 0.00 0.00 0.00 175.76 175.90 2qp0 s VAL 102 N 0.65 3.24 -0.04 0.00 1.01 -0.96 -1.08 120.40 123.22 2qp0 s VAL 102 Ca 0.13 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2qp0 s VAL 102 Cb -0.21 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2qp0 s VAL 102 CO -0.08 -0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.18 2qp0 s VAL 103 N 4.48 1.02 -0.34 2.92 1.01 -0.56 -0.08 120.40 128.84 2qp0 s VAL 103 Ca 0.83 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2qp0 s VAL 103 Cb -0.38 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2qp0 s VAL 103 CO 0.37 0.31 0.51 -0.55 0.00 0.00 0.00 175.10 175.73 2qp0 s SER 104 N 0.23 6.33 0.42 3.32 0.15 0.94 -2.42 113.70 122.66 2qp0 s SER 104 Ca -0.05 0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.71 2qp0 s SER 104 Cb -0.11 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2qp0 s SER 104 CO 0.01 -0.45 0.18 0.42 1.20 0.00 0.00 173.24 174.61 2qp0 s THR 105 N 2.37 2.23 -2.00 6.45 -4.23 0.89 -1.61 115.64 119.73 2qp0 s THR 105 Ca 0.19 -1.71 0.15 0.00 -1.18 0.00 0.00 61.69 59.15 2qp0 s THR 105 Cb -0.15 -2.93 0.44 0.00 1.34 0.00 0.00 72.50 71.19 2qp0 s THR 105 CO 0.13 0.00 1.33 -0.24 -0.54 0.00 0.00 174.62 175.30 2qp0 n SER 106 N -1.25 0.00 -0.15 3.99 2.88 -1.26 -1.37 113.62 116.46 2qp0 n SER 106 Ca -0.02 -0.51 0.03 0.00 -1.33 0.00 0.00 58.87 57.05 2qp0 n SER 106 Cb 0.65 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2qp0 n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qp0 n LYS 107 N -0.99 2.43 0.00 -1.46 4.76 -1.26 -5.10 118.16 116.54 2qp0 n LYS 107 Ca 0.12 -0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 2qp0 n LYS 107 Cb 0.05 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2qp0 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qp0 n GLY 108 N 0.78 2.36 3.22 0.72 0.00 -0.47 -5.01 105.19 106.79 2qp0 n GLY 108 Ca 0.03 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2qp0 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qp0 s VAL 109 N -1.61 4.84 0.00 1.61 1.01 -1.26 -0.08 120.40 124.91 2qp0 s VAL 109 Ca 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 61.98 59.11 2qp0 s VAL 109 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2qp0 s VAL 109 CO 0.00 -0.99 0.00 0.23 0.00 0.00 0.00 175.10 174.34 2qp0 n MET 110 N 3.52 3.75 -2.54 2.72 2.00 -1.02 -4.73 117.12 120.83 2qp0 n MET 110 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.61 2qp0 n MET 110 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.69 2qp0 n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qp0 s THR 111 N 1.76 2.50 0.06 2.03 -4.23 -1.26 -1.50 115.64 115.00 2qp0 s THR 111 Ca 0.00 -0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 59.64 2qp0 s THR 111 Cb 0.00 -2.93 -0.18 0.00 1.34 0.00 0.00 72.50 70.73 2qp0 s THR 111 CO 0.00 0.00 1.58 -2.24 -0.54 0.00 0.00 174.62 173.42 2qp0 h ASP 112 N -0.16 -0.61 -0.40 3.99 2.03 -1.47 -2.29 116.42 117.51 2qp0 h ASP 112 Ca -0.42 -0.00 0.07 0.00 -0.73 0.00 0.00 57.03 55.95 2qp0 h ASP 112 Cb 1.30 0.16 -0.09 0.00 -0.83 0.00 0.00 39.33 39.86 2qp0 h ASP 112 CO 0.52 -0.40 -0.45 -0.09 -1.03 0.00 0.00 179.24 177.79 2qp0 h ARG 113 N -0.77 -0.33 0.09 4.15 1.12 -1.90 0.52 114.38 117.26 2qp0 h ARG 113 Ca -0.07 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.84 2qp0 h ARG 113 Cb 0.57 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.57 2qp0 h ARG 113 CO 0.12 -0.22 -0.33 0.00 -3.11 0.00 0.00 179.97 176.43 2qp0 h ALA 114 N 0.34 -0.54 -0.91 2.80 0.00 -1.96 -0.54 119.26 118.44 2qp0 h ALA 114 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qp0 h ALA 114 Cb 0.59 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2qp0 h ALA 114 CO -0.58 -0.87 0.60 0.00 0.00 0.00 0.00 179.25 178.41 2qp0 h ALA 115 N 0.12 1.42 0.52 0.00 0.00 -0.89 -1.29 119.26 119.13 2qp0 h ALA 115 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qp0 h ALA 115 Cb 0.58 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2qp0 h ALA 115 CO -0.21 0.50 -0.25 -0.09 0.00 0.00 0.00 179.25 179.20 2qp0 h ARG 116 N 1.15 -0.67 -0.88 0.00 2.43 0.62 -2.86 114.38 114.17 2qp0 h ARG 116 Ca 0.36 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.60 2qp0 h ARG 116 Cb 0.00 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2qp0 h ARG 116 CO -0.11 -0.40 0.58 1.96 -1.51 0.00 0.00 179.97 180.49 2qp0 h GLN 117 N -0.79 1.11 -0.06 0.20 4.20 -0.96 -0.16 115.11 118.65 2qp0 h GLN 117 Ca -0.07 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2qp0 h GLN 117 Cb 0.58 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2qp0 h GLN 117 CO 0.12 0.74 0.16 0.00 -0.67 0.00 0.00 178.83 179.17 2qp0 h ALA 118 N 1.47 1.40 -0.22 3.87 0.00 -1.11 -3.45 119.26 121.21 2qp0 h ALA 118 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2qp0 h ALA 118 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qp0 h ALA 118 CO -0.08 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2qp0 n GLY 119 N -1.24 0.89 3.04 0.00 0.00 -0.07 -5.08 105.19 102.72 2qp0 n GLY 119 Ca -0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2qp0 n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qp0 s LEU 120 N -0.22 1.46 0.59 0.99 2.34 -1.10 -4.91 118.68 117.84 2qp0 s LEU 120 Ca 0.00 0.20 0.04 0.00 0.06 0.00 0.00 54.13 54.44 2qp0 s LEU 120 Cb 0.00 0.53 0.08 0.00 -0.56 0.00 0.00 46.19 46.24 2qp0 s LEU 120 CO 0.00 -0.11 0.82 -0.83 -1.06 0.00 0.00 176.35 175.17 2qp0 s GLY 121 N -0.19 1.79 -0.13 -3.48 0.00 -1.26 -4.33 107.32 99.73 2qp0 s GLY 121 Ca -0.03 -1.77 -0.34 0.00 0.00 0.00 0.00 44.72 42.58 2qp0 s GLY 121 CO 0.00 -1.36 1.30 -0.32 0.00 0.00 0.00 173.10 172.73 2qp0 s GLY 122 N -4.59 -0.35 0.12 0.20 0.00 -0.76 -4.55 107.32 97.38 2qp0 s GLY 122 Ca 0.61 1.22 -0.31 0.00 0.00 0.00 0.00 44.72 46.24 2qp0 s GLY 122 CO 0.40 0.34 1.71 1.85 0.00 0.00 0.00 173.10 177.40 2qp0 s GLU 123 N -2.30 4.17 1.06 2.90 2.12 -0.64 -3.41 118.70 122.60 2qp0 s GLU 123 Ca 0.12 2.46 -0.14 0.00 0.36 0.00 0.00 54.97 57.78 2qp0 s GLU 123 Cb 0.02 -3.46 0.22 0.00 0.26 0.00 0.00 34.13 31.18 2qp0 s GLU 123 CO -0.04 -0.75 1.09 0.42 -0.54 0.00 0.00 175.26 175.43 2qp0 s ILE 124 N 2.24 1.92 0.17 -3.70 1.01 -0.88 -0.04 121.20 121.92 2qp0 s ILE 124 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2qp0 s ILE 124 Cb -0.44 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2qp0 s ILE 124 CO 0.33 0.00 0.00 -0.38 0.00 0.00 0.00 174.94 174.89 2qp0 n ILE 125 N -4.39 0.20 -4.03 2.92 -0.00 0.88 -4.26 119.36 110.69 2qp0 n ILE 125 Ca 0.06 0.07 -0.10 0.00 -0.00 0.00 0.00 62.75 62.78 2qp0 n ILE 125 Cb 0.58 -0.60 -0.06 0.00 -0.00 0.00 0.00 39.64 39.56 2qp0 n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qp0 n TYR 127 N -0.37 3.91 -1.55 0.00 4.01 -1.01 -2.25 117.16 119.90 2qp0 n TYR 127 Ca -0.01 -4.01 -0.43 0.00 -0.16 0.00 0.00 57.90 53.30 2qp0 n TYR 127 Cb 0.63 -0.49 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 2qp0 n TYR 127 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2qp0 n VAL 128 N -0.14 0.20 0.08 -0.72 0.31 -0.91 -4.41 118.33 112.74 2qp0 n VAL 128 Ca 0.31 -0.49 0.01 0.00 -0.01 0.00 0.00 64.34 64.15 2qp0 n VAL 128 Cb 0.40 -2.38 0.04 0.00 -0.91 0.00 0.00 33.84 30.98 2qp0 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51