#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qec n PRO 3 N 0.00 0.47 -3.76 4.33 -0.04 -1.26 -4.98 135.00 129.75 2qec n PRO 3 Ca 0.00 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.31 2qec n PRO 3 Cb 0.00 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.13 2qec n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qec s THR 4 N -1.86 5.40 -0.12 0.52 -4.23 -1.07 -4.87 115.64 109.41 2qec s THR 4 Ca 0.73 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.57 2qec s THR 4 Cb -0.33 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 2qec s THR 4 CO 0.50 0.55 -0.15 -0.69 -0.54 0.00 0.00 174.62 174.29 2qec s VAL 5 N -0.54 2.91 0.09 2.29 1.01 -1.26 -2.15 120.40 122.75 2qec s VAL 5 Ca 0.15 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2qec s VAL 5 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2qec s VAL 5 CO 0.04 0.53 0.12 -0.76 0.00 0.00 0.00 175.10 175.02 2qec s LEU 6 N 0.32 1.74 0.53 3.92 1.43 -0.75 -4.98 118.68 120.89 2qec s LEU 6 Ca -0.12 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 51.89 2qec s LEU 6 Cb -0.16 0.69 -0.05 0.00 0.03 0.00 0.00 46.19 46.70 2qec s LEU 6 CO 0.06 -0.71 1.35 -2.84 0.23 0.00 0.00 176.35 174.44 2qec s PRO 7 N -3.92 3.24 0.67 1.29 0.02 -1.26 -0.65 135.00 134.38 2qec s PRO 7 Ca 0.10 2.23 -0.14 0.00 0.02 0.00 0.00 61.00 63.21 2qec s PRO 7 Cb 0.06 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2qec s PRO 7 CO -0.07 -1.11 1.09 0.00 -0.33 0.00 0.00 177.00 176.58 2qec s ALA 8 N -1.31 2.53 0.34 -1.55 0.00 -0.32 -4.75 121.76 116.70 2qec s ALA 8 Ca 0.70 0.39 0.09 0.00 0.00 0.00 0.00 51.96 53.14 2qec s ALA 8 Cb -0.40 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2qec s ALA 8 CO 0.48 -1.24 0.01 0.95 0.00 0.00 0.00 175.76 175.96 2qec s THR 9 N -2.57 2.62 0.33 0.00 -4.23 -1.26 -4.99 115.64 105.55 2qec s THR 9 Ca 0.64 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2qec s THR 9 Cb -0.18 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.15 2qec s THR 9 CO 0.45 -0.20 1.93 -0.61 -0.54 0.00 0.00 174.62 175.65 2qec h GLN 10 N 1.81 0.85 -0.08 3.99 4.15 -2.03 -0.99 115.11 122.81 2qec h GLN 10 Ca -0.43 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 58.96 2qec h GLN 10 Cb 1.25 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 2qec h GLN 10 CO 0.67 0.56 0.09 0.00 -1.93 0.00 0.00 178.83 178.22 2qec h ALA 11 N 1.56 1.63 0.00 3.38 0.00 -2.04 -1.64 119.26 122.14 2qec h ALA 11 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2qec h ALA 11 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qec h ALA 11 CO -0.13 -0.13 -0.17 -0.25 0.00 0.00 0.00 179.25 178.57 2qec n ASP 12 N -3.79 0.33 -0.17 0.00 8.00 -0.38 -4.45 116.55 116.10 2qec n ASP 12 Ca -0.01 0.32 -0.06 0.00 0.71 0.00 0.00 54.79 55.75 2qec n ASP 12 Cb 0.19 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2qec n ASP 12 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2qec h PHE 13 N 0.00 0.59 -0.70 1.24 0.04 -1.36 -1.51 116.94 115.24 2qec h PHE 13 Ca 0.00 0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.91 2qec h PHE 13 Cb 0.57 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.43 2qec h PHE 13 CO 0.00 0.35 0.25 -1.35 -0.60 0.00 0.00 178.31 176.96 2qec h PRO 14 N 0.63 0.39 -0.29 1.51 0.11 -1.82 -1.16 132.00 131.37 2qec h PRO 14 Ca 0.19 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 2qec h PRO 14 Cb -0.02 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2qec h PRO 14 CO -0.07 0.26 -0.42 -0.22 -0.21 0.00 0.00 178.00 177.34 2qec h LYS 15 N 0.40 0.71 -0.32 1.05 1.63 -1.77 -1.47 116.57 116.80 2qec h LYS 15 Ca 0.37 -0.38 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2qec h LYS 15 Cb 0.55 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 2qec h LYS 15 CO -0.39 0.99 0.09 0.82 -3.45 0.00 0.00 179.45 177.52 2qec h ILE 16 N 0.58 0.89 -0.50 2.00 2.04 -0.78 0.26 117.51 121.99 2qec h ILE 16 Ca 0.04 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2qec h ILE 16 Cb 0.96 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2qec h ILE 16 CO 0.09 0.04 0.18 0.58 0.00 0.00 0.00 178.15 179.04 2qec h VAL 17 N 0.22 1.22 -0.71 1.67 2.07 -1.03 -1.09 116.25 118.60 2qec h VAL 17 Ca 0.14 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 67.07 2qec h VAL 17 Cb 0.13 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2qec h VAL 17 CO -0.16 0.26 0.33 0.44 0.02 0.00 0.00 177.57 178.46 2qec h ASP 18 N 0.66 0.40 -0.35 0.57 3.32 -0.84 -0.88 116.42 119.30 2qec h ASP 18 Ca 0.16 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2qec h ASP 18 Cb 0.23 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2qec h ASP 18 CO -0.01 0.21 0.01 0.58 -1.72 0.00 0.00 179.24 178.32 2qec h VAL 19 N 0.55 1.25 -0.46 -1.35 2.07 -0.35 -1.81 116.25 116.15 2qec h VAL 19 Ca 0.36 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2qec h VAL 19 Cb 0.43 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qec h VAL 19 CO -0.30 0.31 0.26 -0.07 0.02 0.00 0.00 177.57 177.79 2qec h LEU 20 N 0.43 0.41 -0.31 2.57 3.38 -0.91 -0.82 115.31 120.06 2qec h LEU 20 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qec h LEU 20 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2qec h LEU 20 CO 0.02 0.29 0.13 0.58 0.09 0.00 0.00 178.44 179.55 2qec h VAL 21 N 0.52 1.18 -0.60 1.22 2.07 -1.13 -0.07 116.25 119.44 2qec h VAL 21 Ca 0.19 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2qec h VAL 21 Cb 0.04 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2qec h VAL 21 CO -0.10 0.19 0.31 -0.08 0.02 0.00 0.00 177.57 177.91 2qec h GLU 22 N 0.36 0.85 -0.55 1.57 4.81 -1.20 0.10 114.58 120.52 2qec h GLU 22 Ca 0.11 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 2qec h GLU 22 Cb 0.18 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2qec h GLU 22 CO -0.01 0.67 -0.06 0.00 -0.73 0.00 0.00 179.01 178.87 2qec h ALA 23 N 1.14 0.84 -0.23 2.92 0.00 -0.89 -3.33 119.26 119.71 2qec h ALA 23 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qec h ALA 23 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qec h ALA 23 CO -0.03 0.66 0.00 1.19 0.00 0.00 0.00 179.25 181.07 2qec n PHE 24 N -4.16 0.30 0.02 0.00 3.72 -0.06 -4.61 117.46 112.67 2qec n PHE 24 Ca 0.02 -0.35 0.17 0.00 -0.05 0.00 0.00 57.45 57.23 2qec n PHE 24 Cb 0.38 -0.02 0.64 0.00 -0.94 0.00 0.00 39.48 39.54 2qec n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qec h ALA 25 N 1.89 2.33 0.00 4.37 0.00 -0.91 -2.18 119.26 124.75 2qec h ALA 25 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qec h ALA 25 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qec h ALA 25 CO 0.00 -0.45 -0.02 0.09 0.00 0.00 0.00 179.25 178.87 2qec n ASN 26 N -4.42 2.17 -4.63 0.00 4.13 -1.26 -4.93 115.26 106.31 2qec n ASN 26 Ca 0.08 -2.79 -0.42 0.00 1.68 0.00 0.00 54.58 53.13 2qec n ASN 26 Cb 0.48 -0.32 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 2qec n ASN 26 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qec s ASP 27 N -2.37 6.75 0.47 6.41 -1.08 -0.82 -4.94 116.67 121.09 2qec s ASP 27 Ca 0.24 0.88 0.25 0.00 -0.52 0.00 0.00 52.55 53.39 2qec s ASP 27 Cb 0.21 -2.42 1.29 0.00 -1.46 0.00 0.00 42.92 40.53 2qec s ASP 27 CO 0.02 -0.55 1.83 -0.65 0.52 0.00 0.00 175.17 176.35 2qec h PRO 28 N 7.87 0.21 -0.86 4.34 0.11 -1.95 0.15 132.00 141.87 2qec h PRO 28 Ca -0.24 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.98 2qec h PRO 28 Cb 1.10 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 2qec h PRO 28 CO 0.87 0.14 0.55 1.15 -0.21 0.00 0.00 178.00 180.50 2qec h THR 29 N 0.21 0.90 0.03 -1.15 2.02 -1.95 -2.55 112.91 110.43 2qec h THR 29 Ca 0.51 -0.26 -0.38 0.00 0.77 0.00 0.00 66.41 67.05 2qec h THR 29 Cb 1.60 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 2qec h THR 29 CO -0.13 0.14 -2.36 0.49 0.37 0.00 0.00 175.52 174.03 2qec n PHE 30 N -4.53 0.32 -0.27 3.16 3.72 0.40 -4.39 117.46 115.88 2qec n PHE 30 Ca 0.15 0.07 0.19 0.00 -0.05 0.00 0.00 57.45 57.81 2qec n PHE 30 Cb 0.38 -1.04 0.49 0.00 -0.94 0.00 0.00 39.48 38.37 2qec n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qec h LEU 31 N 0.01 0.46 -1.90 4.37 3.38 -1.21 -1.60 115.31 118.82 2qec h LEU 31 Ca -0.54 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.50 2qec h LEU 31 Cb 1.93 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2qec h LEU 31 CO -0.05 0.17 0.11 0.08 0.09 0.00 0.00 178.44 178.84 2qec h ARG 32 N 0.45 0.13 0.01 1.13 0.11 -1.66 -2.95 114.38 111.60 2qec h ARG 32 Ca 0.50 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 60.31 2qec h ARG 32 Cb 1.19 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 2qec h ARG 32 CO -0.22 0.09 -1.45 -1.49 0.10 0.00 0.00 179.97 177.01 2qec h TRP 33 N 0.14 0.02 -3.63 4.08 -0.00 -1.53 -3.46 115.95 111.58 2qec h TRP 33 Ca 0.06 -0.02 -0.62 0.00 -0.00 0.00 0.00 58.89 58.32 2qec h TRP 33 Cb 0.09 -0.00 -0.14 0.00 -0.00 0.00 0.00 29.16 29.11 2qec h TRP 33 CO -0.00 1.02 -0.28 0.42 -0.00 0.00 0.00 178.44 179.60 2qec s ILE 34 N -2.64 5.22 0.17 1.49 1.01 -1.11 -4.85 121.20 120.49 2qec s ILE 34 Ca -0.03 0.53 -0.33 0.00 0.00 0.00 0.00 60.65 60.82 2qec s ILE 34 Cb 0.09 -3.67 -0.15 0.00 0.01 0.00 0.00 42.46 38.74 2qec s ILE 34 CO 0.82 0.22 1.36 -2.65 0.00 0.00 0.00 174.94 174.70 2qec n PRO 35 N 4.85 1.62 -4.20 2.79 -0.02 -1.26 -4.86 135.00 133.93 2qec n PRO 35 Ca -0.10 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.71 2qec n PRO 35 Cb 0.51 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2qec n PRO 35 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2qec s GLN 36 N 0.10 2.50 0.91 -0.52 -1.52 -1.26 -4.30 119.66 115.57 2qec s GLN 36 Ca 0.76 -1.12 -0.11 0.00 -1.95 0.00 0.00 55.36 52.93 2qec s GLN 36 Cb -0.78 -2.38 0.14 0.00 -0.22 0.00 0.00 33.01 29.77 2qec s GLN 36 CO 0.47 0.44 1.09 -1.25 -0.25 0.00 0.00 175.29 175.79 2qec s PRO 37 N -3.16 1.12 -0.53 2.91 0.04 -1.26 -5.14 135.00 128.97 2qec s PRO 37 Ca 0.29 0.87 0.05 0.00 0.04 0.00 0.00 61.00 62.26 2qec s PRO 37 Cb -0.09 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.85 2qec s PRO 37 CO 0.20 -2.35 0.46 -3.47 0.04 0.00 0.00 177.00 171.88 2qec n ASP 38 N -3.97 1.23 -4.68 6.66 2.03 -1.26 -5.09 116.55 111.47 2qec n ASP 38 Ca 0.07 -2.81 -0.51 0.00 0.52 0.00 0.00 54.79 52.06 2qec n ASP 38 Cb 0.55 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.25 2qec n ASP 38 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2qec n PRO 39 N 2.12 1.80 -1.12 -0.67 -0.02 -1.26 -0.69 135.00 135.16 2qec n PRO 39 Ca 0.25 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.35 2qec n PRO 39 Cb 0.44 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 2qec n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qec n GLY 40 N 3.99 0.66 3.34 -1.23 0.00 -1.26 -3.13 105.19 107.57 2qec n GLY 40 Ca 0.22 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 2qec n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qec n SER 41 N 0.20 -4.40 -0.07 1.61 7.64 0.13 -4.88 113.62 113.84 2qec n SER 41 Ca -0.04 -0.41 -0.09 0.00 1.01 0.00 0.00 58.87 59.34 2qec n SER 41 Cb 0.22 -3.60 0.06 0.00 -1.01 0.00 0.00 64.21 59.88 2qec n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qec h ALA 42 N 0.98 0.77 -0.10 -0.43 0.00 -1.70 -0.02 119.26 118.77 2qec h ALA 42 Ca -0.47 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 53.79 2qec h ALA 42 Cb 1.32 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2qec h ALA 42 CO 0.56 0.65 -0.84 0.87 0.00 0.00 0.00 179.25 180.49 2qec h LYS 43 N 0.64 0.68 -0.36 0.00 1.57 -1.88 -1.84 116.57 115.37 2qec h LYS 43 Ca 0.07 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2qec h LYS 43 Cb 0.87 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2qec h LYS 43 CO 0.08 1.21 0.20 1.25 -0.57 0.00 0.00 179.45 181.62 2qec h LEU 44 N 0.44 0.45 -0.46 2.94 5.85 -1.89 -0.95 115.31 121.69 2qec h LEU 44 Ca -0.07 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.66 2qec h LEU 44 Cb 1.47 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 2qec h LEU 44 CO 0.16 0.40 0.03 -0.09 -0.34 0.00 0.00 178.44 178.60 2qec h ARG 45 N 0.46 0.14 -0.85 1.25 2.43 -1.00 -1.78 114.38 115.03 2qec h ARG 45 Ca 0.13 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2qec h ARG 45 Cb 0.05 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2qec h ARG 45 CO -0.02 0.09 0.56 0.00 -1.51 0.00 0.00 179.97 179.09 2qec h ALA 46 N 1.40 1.41 0.24 2.80 0.00 -0.93 -0.82 119.26 123.36 2qec h ALA 46 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qec h ALA 46 Cb 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qec h ALA 46 CO -0.36 0.53 -0.12 1.25 0.00 0.00 0.00 179.25 180.56 2qec h LEU 47 N 1.13 -0.28 -0.84 0.00 5.85 -0.61 -1.93 115.31 118.63 2qec h LEU 47 Ca 0.32 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2qec h LEU 47 Cb -0.09 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2qec h LEU 47 CO -0.08 -0.10 0.54 -0.26 -0.34 0.00 0.00 178.44 178.21 2qec h PHE 48 N -0.44 1.02 -0.81 1.25 0.04 -1.16 -0.86 116.94 115.98 2qec h PHE 48 Ca -0.03 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.81 2qec h PHE 48 Cb 0.33 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.09 2qec h PHE 48 CO -0.03 0.58 0.51 0.93 -0.60 0.00 0.00 178.31 179.70 2qec h GLU 49 N 1.05 0.94 -0.23 1.51 5.08 -0.97 -1.68 114.58 120.29 2qec h GLU 49 Ca 0.34 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2qec h GLU 49 Cb 0.01 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2qec h GLU 49 CO -0.12 0.62 -0.20 1.25 -1.00 0.00 0.00 179.01 179.57 2qec h LEU 50 N 0.97 0.57 -0.36 1.33 5.85 -1.01 -1.89 115.31 120.77 2qec h LEU 50 Ca 0.34 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2qec h LEU 50 Cb 0.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2qec h LEU 50 CO -0.14 0.91 0.23 1.56 -0.34 0.00 0.00 178.44 180.66 2qec h GLN 51 N 0.24 0.49 -0.34 1.25 4.20 -1.03 -0.48 115.11 119.44 2qec h GLN 51 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2qec h GLN 51 Cb 0.74 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2qec h GLN 51 CO 0.05 0.35 0.16 0.82 -0.67 0.00 0.00 178.83 179.55 2qec h ILE 52 N 0.48 1.16 -0.32 2.54 2.04 -1.33 -0.38 117.51 121.70 2qec h ILE 52 Ca 0.13 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 2qec h ILE 52 Cb -0.02 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2qec h ILE 52 CO -0.03 0.17 -0.34 -0.08 0.00 0.00 0.00 178.15 177.87 2qec h GLU 53 N 0.41 0.79 0.00 2.37 4.81 -1.16 0.15 114.58 121.94 2qec h GLU 53 Ca 0.12 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2qec h GLU 53 Cb 0.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2qec h GLU 53 CO -0.01 1.06 -0.75 1.63 -0.73 0.00 0.00 179.01 180.20 2qec n LYS 54 N -4.18 2.14 0.06 1.92 4.76 -0.21 -4.47 118.16 118.18 2qec n LYS 54 Ca -0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2qec n LYS 54 Cb 0.51 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.51 2qec n LYS 54 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2qec n GLN 55 N -1.39 0.00 0.09 1.97 7.27 -0.26 -4.78 117.38 120.28 2qec n GLN 55 Ca 0.02 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.93 2qec n GLN 55 Cb 0.23 -0.37 -0.14 0.00 2.41 0.00 0.00 30.24 32.37 2qec n GLN 55 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 2qec h TYR 56 N 0.00 0.50 -0.38 3.69 0.05 -1.27 -1.11 116.97 118.45 2qec h TYR 56 Ca 0.00 -0.37 -0.14 0.00 0.05 0.00 0.00 58.73 58.27 2qec h TYR 56 Cb 0.15 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2qec h TYR 56 CO 0.00 1.34 -0.32 0.00 -1.05 0.00 0.00 178.16 178.13 2qec h ALA 57 N 0.52 0.71 0.04 3.88 0.00 -1.19 -1.95 119.26 121.27 2qec h ALA 57 Ca -0.19 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2qec h ALA 57 Cb 2.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2qec h ALA 57 CO 0.19 0.66 -0.02 0.28 0.00 0.00 0.00 179.25 180.36 2qec h VAL 58 N 0.72 0.00 -0.17 0.00 2.07 -1.76 -3.41 116.25 113.70 2qec h VAL 58 Ca 0.08 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2qec h VAL 58 Cb 0.88 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2qec h VAL 58 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 2qec n ALA 59 N -2.12 2.32 -3.00 1.67 0.00 -0.43 -5.02 120.51 113.93 2qec n ALA 59 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2qec n ALA 59 Cb 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2qec n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qec n GLY 60 N 0.50 6.05 3.02 0.00 0.00 -0.73 -4.41 105.19 109.62 2qec n GLY 60 Ca 0.08 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 2qec n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qec s ASN 61 N 1.00 1.38 -0.22 1.61 -0.87 -0.16 -4.83 114.94 112.85 2qec s ASN 61 Ca 0.00 -0.22 0.01 0.00 -1.57 0.00 0.00 52.86 51.08 2qec s ASN 61 Cb 0.00 -0.42 0.03 0.00 -0.02 0.00 0.00 41.25 40.84 2qec s ASN 61 CO 0.00 0.07 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.83 2qec s ILE 62 N 0.26 2.32 -0.07 0.60 1.01 -1.26 -1.19 121.20 122.87 2qec s ILE 62 Ca -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 2qec s ILE 62 Cb -0.10 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2qec s ILE 62 CO 0.01 0.30 0.04 -1.81 0.00 0.00 0.00 174.94 173.48 2qec s ASP 63 N 1.25 5.52 0.09 3.58 1.01 -0.46 -1.18 116.67 126.48 2qec s ASP 63 Ca -0.00 0.19 0.09 0.00 0.71 0.00 0.00 52.55 53.54 2qec s ASP 63 Cb -0.16 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.14 2qec s ASP 63 CO -0.08 0.35 -0.24 0.68 0.21 0.00 0.00 175.17 176.08 2qec s VAL 64 N -1.00 1.99 -0.11 -1.27 -7.23 0.17 -1.56 120.40 111.40 2qec s VAL 64 Ca 0.16 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 2qec s VAL 64 Cb -0.12 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 2qec s VAL 64 CO 0.06 0.11 -0.03 0.00 -0.31 0.00 0.00 175.10 174.93 2qec s ALA 65 N -1.00 3.09 0.09 1.32 0.00 -0.54 -1.80 121.76 122.92 2qec s ALA 65 Ca 0.10 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.32 2qec s ALA 65 Cb -0.10 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 2qec s ALA 65 CO 0.04 0.44 -0.25 1.03 0.00 0.00 0.00 175.76 177.02 2qec s ARG 66 N -0.37 1.43 0.52 0.00 0.52 -0.92 -0.55 118.95 119.59 2qec s ARG 66 Ca 0.06 -1.19 -0.05 0.00 -0.52 0.00 0.00 55.73 54.03 2qec s ARG 66 Cb -0.12 -1.75 0.11 0.00 0.52 0.00 0.00 34.95 33.71 2qec s ARG 66 CO 0.02 0.43 0.71 -0.40 0.02 0.00 0.00 175.30 176.08 2qec n ASP 67 N 1.29 0.50 0.19 0.23 5.68 -0.39 -2.61 116.55 121.45 2qec n ASP 67 Ca -0.18 -1.53 0.14 0.00 -0.50 0.00 0.00 54.79 52.72 2qec n ASP 67 Cb 0.53 -0.50 0.51 0.00 -1.14 0.00 0.00 41.12 40.52 2qec n ASP 67 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2qec h SER 68 N -0.68 0.00 -0.04 -1.12 4.64 -1.96 -1.45 113.55 112.94 2qec h SER 68 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2qec h SER 68 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2qec h SER 68 CO 0.21 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.55 2qec n GLU 69 N -2.66 1.46 -0.55 4.77 4.71 -1.26 -4.95 120.64 122.17 2qec n GLU 69 Ca 0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 57.16 56.50 2qec n GLU 69 Cb 0.32 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 2qec n GLU 69 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qec n GLY 70 N 1.09 0.76 3.84 0.62 0.00 -0.55 -5.05 105.19 105.89 2qec n GLY 70 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2qec n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qec s GLU 71 N -0.45 4.00 -0.12 1.61 2.02 -1.26 -4.80 118.70 119.70 2qec s GLU 71 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 54.97 55.22 2qec s GLU 71 Cb 0.00 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 2qec s GLU 71 CO 0.00 0.46 1.30 0.42 0.02 0.00 0.00 175.26 177.46 2qec s ILE 72 N -1.50 4.17 -0.21 -1.63 1.01 -1.26 -1.26 121.20 120.52 2qec s ILE 72 Ca 0.39 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.50 2qec s ILE 72 Cb -0.15 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.40 2qec s ILE 72 CO 0.19 -0.10 0.42 1.33 0.00 0.00 0.00 174.94 176.78 2qec n VAL 73 N 5.21 0.00 -3.47 2.92 0.24 0.29 -4.94 118.33 118.58 2qec n VAL 73 Ca 0.14 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 2qec n VAL 73 Cb 0.45 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 2qec n VAL 73 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qec s GLY 74 N -0.47 -0.54 -0.02 7.63 0.00 -1.15 -0.24 107.32 112.53 2qec s GLY 74 Ca 0.02 0.85 -0.01 0.00 0.00 0.00 0.00 44.72 45.57 2qec s GLY 74 CO 0.04 0.34 0.05 0.14 0.00 0.00 0.00 173.10 173.67 2qec s VAL 75 N -3.15 -0.01 -0.01 1.40 1.01 -0.01 -1.46 120.40 118.16 2qec s VAL 75 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2qec s VAL 75 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 2qec s VAL 75 CO -0.09 0.01 -0.14 0.00 0.00 0.00 0.00 175.10 174.88 2qec s ALA 76 N 0.20 1.21 -0.17 5.51 0.00 -0.60 -0.67 121.76 127.24 2qec s ALA 76 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2qec s ALA 76 Cb -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2qec s ALA 76 CO -0.01 0.28 -0.16 -0.51 0.00 0.00 0.00 175.76 175.37 2qec s LEU 77 N -0.27 2.39 -0.02 0.00 1.43 -0.24 -1.35 118.68 120.62 2qec s LEU 77 Ca 0.04 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2qec s LEU 77 Cb -0.06 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2qec s LEU 77 CO -0.00 0.04 -0.20 0.26 0.23 0.00 0.00 176.35 176.68 2qec s TRP 78 N 1.05 1.83 -0.09 0.29 0.52 -0.33 -1.04 118.94 121.17 2qec s TRP 78 Ca -0.01 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.71 2qec s TRP 78 Cb -0.14 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 2qec s TRP 78 CO -0.05 -0.04 0.11 -0.51 0.02 0.00 0.00 176.95 176.48 2qec s ASP 79 N -0.45 6.06 0.45 2.95 1.01 -0.18 -0.99 116.67 125.52 2qec s ASP 79 Ca 0.07 0.36 -0.06 0.00 0.71 0.00 0.00 52.55 53.63 2qec s ASP 79 Cb -0.08 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 2qec s ASP 79 CO -0.01 0.38 0.76 -0.13 0.21 0.00 0.00 175.17 176.38 2qec s ARG 80 N -1.14 3.58 0.53 8.23 0.52 -1.26 -0.92 118.95 128.49 2qec s ARG 80 Ca 0.16 0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 55.35 2qec s ARG 80 Cb -0.12 -2.41 -0.06 0.00 0.52 0.00 0.00 34.95 32.88 2qec s ARG 80 CO 0.06 -0.14 1.35 -2.30 0.02 0.00 0.00 175.30 174.29 2qec n PRO 81 N -2.01 1.77 0.00 3.54 -0.02 -1.19 -4.79 135.00 132.30 2qec n PRO 81 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2qec n PRO 81 Cb 0.55 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2qec n PRO 81 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qec n ASP 82 N -0.79 0.00 0.00 2.55 9.92 -1.26 -4.96 116.55 122.01 2qec n ASP 82 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 2qec n ASP 82 Cb 0.44 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 2qec n ASP 82 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2qec n PRO 95 N 0.00 0.00 0.25 -0.24 -0.04 -1.26 -5.05 135.00 128.66 2qec n PRO 95 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2qec n PRO 95 Cb 0.00 0.00 0.43 0.00 -0.04 0.00 0.00 33.50 33.89 2qec n PRO 95 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2qec h ARG 96 N 0.00 0.00 -0.11 0.54 2.43 -2.04 -2.94 114.38 112.27 2qec h ARG 96 Ca 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2qec h ARG 96 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2qec h ARG 96 CO 0.00 0.03 -0.49 -0.07 -1.51 0.00 0.00 179.97 177.93 2qec h LEU 97 N 0.00 0.29 -1.99 3.80 3.38 -2.00 -2.11 115.31 116.68 2qec h LEU 97 Ca -0.00 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2qec h LEU 97 Cb 0.76 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2qec h LEU 97 CO 0.00 0.74 0.04 -0.37 0.09 0.00 0.00 178.44 178.94 2qec h VAL 98 N 0.22 0.97 0.00 1.22 -1.51 -1.86 0.23 116.25 115.52 2qec h VAL 98 Ca 0.01 -0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 2qec h VAL 98 Cb 0.94 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 2qec h VAL 98 CO 0.08 0.00 -0.83 0.28 -1.23 0.00 0.00 177.57 175.87 2qec h SER 99 N 0.01 0.00 0.13 4.19 0.02 -1.48 0.02 113.55 116.44 2qec h SER 99 Ca 0.03 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.65 2qec h SER 99 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2qec h SER 99 CO -0.00 0.83 -1.70 0.40 -1.14 0.00 0.00 176.83 175.22 2qec h ILE 100 N 0.00 0.84 0.00 3.27 2.04 -1.09 -3.42 117.51 119.15 2qec h ILE 100 Ca -0.01 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.47 2qec h ILE 100 Cb 1.56 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 40.24 2qec h ILE 100 CO 0.11 0.78 -0.84 0.49 0.00 0.00 0.00 178.15 178.69 2qec n PHE 101 N -3.73 0.00 -0.92 1.37 3.72 0.03 -4.45 117.46 113.49 2qec n PHE 101 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2qec n PHE 101 Cb 0.98 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 2qec n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qec n GLY 102 N 1.64 0.79 0.00 1.37 0.00 -0.00 -4.81 105.19 104.18 2qec n GLY 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qec n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qec n LYS 104 N -2.02 0.00 0.00 1.61 5.02 -1.26 -4.90 118.16 116.61 2qec n LYS 104 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qec n LYS 104 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 2qec n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qec n ALA 105 N 0.00 0.00 -1.77 7.82 0.00 -1.26 -5.14 120.51 120.16 2qec n ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qec n ALA 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qec n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qec n ALA 106 N -3.00 -1.55 0.00 0.00 0.00 -1.26 -5.29 120.51 109.40 2qec n ALA 106 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2qec n ALA 106 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2qec n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qec n ALA 116 N 0.74 0.00 0.22 0.00 0.00 -1.26 -5.26 120.51 114.95 2qec n ALA 116 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qec n ALA 116 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 2qec n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qec h ARG 117 N 0.00 0.00 -0.01 0.00 3.08 -2.08 -2.45 114.38 112.91 2qec h ARG 117 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qec h ARG 117 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2qec h ARG 117 CO 0.00 0.26 -0.36 1.19 -1.07 0.00 0.00 179.97 179.98 2qec n PHE 118 N -3.80 0.00 -2.16 3.04 3.72 -1.26 -4.88 117.46 112.12 2qec n PHE 118 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2qec n PHE 118 Cb 0.35 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 2qec n PHE 118 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2qec s HIS 119 N -2.43 3.23 0.57 1.38 3.76 -0.93 -4.99 115.29 115.88 2qec s HIS 119 Ca 0.22 0.99 -0.20 0.00 -0.15 0.00 0.00 55.06 55.91 2qec s HIS 119 Cb 0.19 -3.68 -0.05 0.00 1.11 0.00 0.00 32.58 30.14 2qec s HIS 119 CO 0.53 -2.35 1.07 -2.30 -0.85 0.00 0.00 174.74 170.84 2qec n PRO 120 N 3.69 1.15 -1.79 8.40 -0.02 -1.26 -4.84 135.00 140.33 2qec n PRO 120 Ca 0.11 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 2qec n PRO 120 Cb 0.42 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 2qec n PRO 120 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qec n LYS 121 N -0.89 3.85 -3.88 -0.52 4.76 -1.26 -4.81 118.16 115.41 2qec n LYS 121 Ca 0.12 -3.01 -0.11 0.00 -2.87 0.00 0.00 58.31 52.44 2qec n LYS 121 Cb 0.46 -2.48 -0.09 0.00 -1.84 0.00 0.00 35.03 31.07 2qec n LYS 121 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2qec s PHE 122 N -1.13 0.09 0.33 2.13 0.08 -1.26 -5.13 117.98 113.09 2qec s PHE 122 Ca 0.57 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 57.06 2qec s PHE 122 Cb 0.25 -0.07 -0.11 0.00 -0.57 0.00 0.00 43.02 42.51 2qec s PHE 122 CO -0.13 -0.33 1.50 -2.14 -0.10 0.00 0.00 175.22 174.02 2qec s PRO 123 N -1.89 4.16 0.07 0.24 0.02 -1.26 -4.99 135.00 131.35 2qec s PRO 123 Ca -0.11 2.50 -0.26 0.00 0.02 0.00 0.00 61.00 63.15 2qec s PRO 123 Cb -0.05 -3.01 0.07 0.00 0.02 0.00 0.00 34.50 31.53 2qec s PRO 123 CO -0.01 -0.51 0.66 -3.38 -0.33 0.00 0.00 177.00 173.43 2qec s HIS 124 N -0.61 -0.56 0.46 6.54 -3.43 -1.26 -4.50 115.29 111.93 2qec s HIS 124 Ca 0.57 0.58 -0.20 0.00 -0.80 0.00 0.00 55.06 55.20 2qec s HIS 124 Cb -0.46 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.11 2qec s HIS 124 CO 0.55 -0.73 0.99 -1.58 -2.00 0.00 0.00 174.74 171.96 2qec s TRP 125 N -2.82 3.18 -0.13 0.38 0.52 0.90 -3.18 118.94 117.79 2qec s TRP 125 Ca -0.02 1.58 0.01 0.00 0.02 0.00 0.00 56.10 57.69 2qec s TRP 125 Cb -0.01 -2.94 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 2qec s TRP 125 CO -0.05 -0.46 -0.16 -0.47 0.02 0.00 0.00 176.95 175.82 2qec s TYR 126 N -2.14 2.23 -0.56 -1.98 5.04 -0.10 -0.63 117.35 119.21 2qec s TYR 126 Ca 0.64 -1.17 -0.22 0.00 -2.44 0.00 0.00 57.07 53.88 2qec s TYR 126 Cb -0.12 -1.60 0.05 0.00 0.35 0.00 0.00 41.96 40.64 2qec s TYR 126 CO 0.18 -0.60 0.87 -1.17 -1.34 0.00 0.00 175.55 173.49 2qec s LEU 127 N 1.16 4.39 -0.10 6.97 2.96 -0.87 -1.01 118.68 132.19 2qec s LEU 127 Ca -0.02 -0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 53.03 2qec s LEU 127 Cb -0.14 -2.64 -0.19 0.00 0.50 0.00 0.00 46.19 43.72 2qec s LEU 127 CO -0.06 -1.19 0.72 0.22 -1.32 0.00 0.00 176.35 174.73 2qec h TYR 128 N 9.29 -0.04 -2.69 5.38 3.20 -1.41 -3.42 116.97 127.27 2qec h TYR 128 Ca -0.27 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.50 2qec h TYR 128 Cb 1.08 0.01 -0.21 0.00 1.54 0.00 0.00 36.73 39.15 2qec h TYR 128 CO 0.88 0.63 -0.15 -0.08 -1.64 0.00 0.00 178.16 177.80 2qec s THR 129 N -2.59 0.03 -0.08 1.81 -1.32 -1.19 -4.99 115.64 107.32 2qec s THR 129 Ca -0.14 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2qec s THR 129 Cb -0.01 -0.70 0.02 0.00 -1.51 0.00 0.00 72.50 70.30 2qec s THR 129 CO 0.53 -0.13 -0.06 0.54 -2.21 0.00 0.00 174.62 173.30 2qec s VAL 130 N -0.83 0.77 0.01 5.08 0.11 -1.26 -1.08 120.40 123.19 2qec s VAL 130 Ca -0.09 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.81 2qec s VAL 130 Cb -0.03 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2qec s VAL 130 CO 0.04 0.30 -0.12 0.00 -3.33 0.00 0.00 175.10 172.00 2qec s ALA 131 N 1.37 1.01 -0.04 1.54 0.00 0.16 -5.00 121.76 120.80 2qec s ALA 131 Ca -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2qec s ALA 131 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2qec s ALA 131 CO -0.03 0.22 -0.24 0.99 0.00 0.00 0.00 175.76 176.70 2qec s THR 132 N -0.48 1.90 0.55 0.00 2.01 -1.26 -0.83 115.64 117.53 2qec s THR 132 Ca 0.03 -1.01 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 2qec s THR 132 Cb -0.06 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2qec s THR 132 CO 0.00 0.54 1.29 -0.44 -0.69 0.00 0.00 174.62 175.31 2qec s SER 133 N -0.34 5.34 0.15 3.53 0.01 0.66 -4.69 113.70 118.36 2qec s SER 133 Ca 0.03 2.59 -0.16 0.00 1.31 0.00 0.00 55.95 59.72 2qec s SER 133 Cb -0.11 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.51 2qec s SER 133 CO 0.01 -1.51 1.80 0.28 0.41 0.00 0.00 173.24 174.23 2qec h SER 134 N 1.35 0.39 -0.15 2.44 0.02 -1.94 -0.61 113.55 115.05 2qec h SER 134 Ca -0.51 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2qec h SER 134 Cb 1.29 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2qec h SER 134 CO 0.57 0.28 0.33 0.77 -1.14 0.00 0.00 176.83 177.64 2qec h SER 135 N 0.48 0.00 -0.22 3.07 4.64 -1.97 -2.44 113.55 117.11 2qec h SER 135 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2qec h SER 135 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2qec h SER 135 CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 2qec n ALA 136 N -2.10 2.69 -1.75 5.18 0.00 -0.25 -5.02 120.51 119.25 2qec n ALA 136 Ca 0.01 -2.12 -0.39 0.00 0.00 0.00 0.00 53.44 50.95 2qec n ALA 136 Cb 0.42 -0.58 0.03 0.00 0.00 0.00 0.00 19.45 19.33 2qec n ALA 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2qec s ARG 137 N -2.46 3.29 -0.94 0.00 3.52 -0.92 -3.04 118.95 118.40 2qec s ARG 137 Ca 0.35 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.19 2qec s ARG 137 Cb 0.28 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2qec s ARG 137 CO 0.08 -1.07 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 2qec n GLY 138 N 0.68 0.60 0.22 8.12 0.00 -1.26 -4.92 105.19 108.63 2qec n GLY 138 Ca 0.09 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.62 2qec n GLY 138 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qec n THR 139 N -3.30 0.00 -0.90 2.61 -1.04 -1.17 -4.99 114.28 105.48 2qec n THR 139 Ca -0.11 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2qec n THR 139 Cb 0.44 1.11 0.00 0.00 -1.82 0.00 0.00 70.33 70.06 2qec n THR 139 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qec n GLY 140 N 0.80 0.47 0.16 3.41 0.00 -1.26 -4.59 105.19 104.19 2qec n GLY 140 Ca 0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2qec n GLY 140 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qec h VAL 141 N 0.00 0.77 -0.90 1.61 2.07 -1.94 -1.77 116.25 116.10 2qec h VAL 141 Ca 0.00 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2qec h VAL 141 Cb 0.00 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2qec h VAL 141 CO 0.00 0.01 0.59 1.23 0.02 0.00 0.00 177.57 179.43 2qec h GLY 142 N -0.35 1.27 0.89 2.17 0.00 -1.93 -1.83 103.07 103.29 2qec h GLY 142 Ca -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2qec h GLY 142 CO 0.05 0.43 0.03 0.23 0.00 0.00 0.00 176.54 177.29 2qec h SER 143 N 1.18 0.50 -0.75 0.19 0.87 -1.94 -1.60 113.55 111.99 2qec h SER 143 Ca 0.34 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2qec h SER 143 Cb -0.09 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 2qec h SER 143 CO -0.08 0.65 0.49 0.00 -0.53 0.00 0.00 176.83 177.36 2qec h ALA 144 N 0.87 0.96 -0.07 6.23 0.00 -0.99 -0.41 119.26 125.85 2qec h ALA 144 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qec h ALA 144 Cb 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qec h ALA 144 CO 0.01 0.35 0.03 -0.07 0.00 0.00 0.00 179.25 179.57 2qec h LEU 145 N 1.00 0.08 -0.38 0.00 3.38 -1.22 -1.51 115.31 116.67 2qec h LEU 145 Ca 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2qec h LEU 145 Cb -0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2qec h LEU 145 CO -0.07 0.17 0.22 -0.07 0.09 0.00 0.00 178.44 178.77 2qec h LEU 146 N -0.01 0.47 -0.81 1.67 3.38 -1.10 -2.07 115.31 116.84 2qec h LEU 146 Ca 0.02 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2qec h LEU 146 Cb 0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2qec h LEU 146 CO -0.00 0.41 0.50 0.78 0.09 0.00 0.00 178.44 180.21 2qec h ASN 147 N 0.49 0.77 -0.53 -0.43 2.35 -1.00 0.12 115.58 117.35 2qec h ASN 147 Ca 0.14 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2qec h ASN 147 Cb 0.04 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2qec h ASN 147 CO -0.02 0.49 0.33 -0.74 -1.65 0.00 0.00 177.43 175.84 2qec h HIS 148 N 0.91 0.61 0.04 1.19 2.76 -1.11 -0.88 115.15 118.68 2qec h HIS 148 Ca 0.36 0.02 -0.24 0.00 -2.20 0.00 0.00 60.37 58.31 2qec h HIS 148 Cb 0.17 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2qec h HIS 148 CO -0.04 0.36 -1.03 0.78 -1.30 0.00 0.00 177.93 176.70 2qec h GLY 149 N 0.65 0.36 1.02 5.26 0.00 -0.94 -1.98 103.07 107.44 2qec h GLY 149 Ca 0.21 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 2qec h GLY 149 CO -0.09 0.62 0.07 -2.22 0.00 0.00 0.00 176.54 174.93 2qec h ILE 150 N 0.15 1.26 -0.81 2.60 2.04 -0.63 -1.07 117.51 121.05 2qec h ILE 150 Ca -0.09 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2qec h ILE 150 Cb 1.69 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 2qec h ILE 150 CO 0.17 0.36 0.36 0.00 0.00 0.00 0.00 178.15 179.05 2qec h ALA 151 N 0.99 1.11 -0.61 1.87 0.00 -0.98 -1.93 119.26 119.72 2qec h ALA 151 Ca 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qec h ALA 151 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qec h ALA 151 CO 0.01 0.65 0.07 -0.09 0.00 0.00 0.00 179.25 179.90 2qec h ARG 152 N 1.16 1.01 -0.01 0.00 2.43 -1.24 -2.94 114.38 114.80 2qec h ARG 152 Ca 0.28 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2qec h ARG 152 Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2qec h ARG 152 CO -0.03 0.94 -0.35 0.00 -1.51 0.00 0.00 179.97 179.03 2qec h ALA 153 N 1.13 1.41 -0.67 2.80 0.00 -0.83 -3.47 119.26 119.63 2qec h ALA 153 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qec h ALA 153 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qec h ALA 153 CO 0.02 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2qec n GLY 154 N -0.51 3.34 0.00 0.00 0.00 -0.76 -0.96 105.19 106.30 2qec n GLY 154 Ca -0.02 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.36 2qec n GLY 154 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qec n ASP 155 N 7.03 0.00 -4.92 1.61 9.92 -1.26 -4.87 116.55 124.06 2qec n ASP 155 Ca 0.00 0.28 -0.26 0.00 -0.53 0.00 0.00 54.79 54.29 2qec n ASP 155 Cb 0.00 -0.41 0.01 0.00 -0.64 0.00 0.00 41.12 40.08 2qec n ASP 155 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2qec s GLU 156 N -2.82 3.17 0.52 -1.24 2.02 -0.13 -1.33 118.70 118.88 2qec s GLU 156 Ca 0.15 -0.09 -0.17 0.00 0.02 0.00 0.00 54.97 54.88 2qec s GLU 156 Cb 0.14 -2.40 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 2qec s GLU 156 CO 0.37 -0.39 0.99 0.00 0.02 0.00 0.00 175.26 176.24 2qec s ALA 157 N -2.76 3.06 -0.03 5.21 0.00 -1.26 -4.55 121.76 121.42 2qec s ALA 157 Ca 0.50 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2qec s ALA 157 Cb -0.10 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.90 2qec s ALA 157 CO 0.43 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 176.29 2qec s ILE 158 N -2.61 0.70 -0.06 0.00 1.01 -0.58 -0.07 121.20 119.59 2qec s ILE 158 Ca 0.59 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 2qec s ILE 158 Cb -0.10 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2qec s ILE 158 CO 0.31 0.24 -0.02 -0.47 0.00 0.00 0.00 174.94 175.00 2qec s TYR 159 N 0.42 3.08 0.23 3.97 5.04 0.20 -0.37 117.35 129.93 2qec s TYR 159 Ca -0.06 0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.58 2qec s TYR 159 Cb -0.10 -1.74 -0.01 0.00 0.35 0.00 0.00 41.96 40.46 2qec s TYR 159 CO 0.01 0.43 0.41 -0.48 -1.34 0.00 0.00 175.55 174.58 2qec s LEU 160 N -1.03 0.50 -0.24 6.97 0.05 -1.26 -2.04 118.68 121.62 2qec s LEU 160 Ca 0.15 -0.99 0.01 0.00 0.05 0.00 0.00 54.13 53.35 2qec s LEU 160 Cb -0.11 1.51 0.06 0.00 -2.05 0.00 0.00 46.19 45.60 2qec s LEU 160 CO 0.04 -1.07 -0.07 -1.61 -0.55 0.00 0.00 176.35 173.09 2qec s GLU 161 N -4.03 1.79 0.04 1.48 2.02 -1.26 -4.35 118.70 114.38 2qec s GLU 161 Ca 0.24 -1.09 -0.23 0.00 0.02 0.00 0.00 54.97 53.91 2qec s GLU 161 Cb 0.01 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 2qec s GLU 161 CO 0.08 -0.59 0.71 0.00 0.02 0.00 0.00 175.26 175.48 2qec s ALA 162 N 1.31 3.42 -1.42 5.21 0.00 0.65 -4.81 121.76 126.13 2qec s ALA 162 Ca -0.07 0.21 0.25 0.00 0.00 0.00 0.00 51.96 52.35 2qec s ALA 162 Cb -0.19 -2.91 0.42 0.00 0.00 0.00 0.00 23.12 20.44 2qec s ALA 162 CO -0.06 0.13 1.35 0.25 0.00 0.00 0.00 175.76 177.43 2qec n THR 163 N 2.64 0.00 -4.00 0.00 -2.24 -1.26 -0.93 114.28 108.49 2qec n THR 163 Ca -0.04 -0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 61.57 2qec n THR 163 Cb 0.50 0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 2qec n THR 163 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qec s SER 164 N -2.75 0.26 0.27 3.42 1.04 -1.26 -4.86 113.70 109.83 2qec s SER 164 Ca 0.16 -0.90 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 2qec s SER 164 Cb 0.18 0.30 0.37 0.00 0.10 0.00 0.00 66.02 66.97 2qec s SER 164 CO 0.64 -0.71 1.85 0.74 0.98 0.00 0.00 173.24 176.74 2qec h THR 165 N 2.87 1.23 -0.05 2.02 2.02 -1.97 -1.08 112.91 117.95 2qec h THR 165 Ca -0.34 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.14 2qec h THR 165 Cb 1.18 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2qec h THR 165 CO 0.59 0.29 -0.13 -0.09 0.37 0.00 0.00 175.52 176.55 2qec h ARG 166 N 0.91 -0.19 -0.56 6.66 2.43 -2.00 -0.05 114.38 121.59 2qec h ARG 166 Ca 0.21 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2qec h ARG 166 Cb 0.20 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2qec h ARG 166 CO -0.02 -0.12 0.29 0.00 -1.51 0.00 0.00 179.97 178.61 2qec h ALA 167 N 0.81 0.73 -1.00 2.80 0.00 -1.92 -2.40 119.26 118.28 2qec h ALA 167 Ca 0.06 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2qec h ALA 167 Cb 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2qec h ALA 167 CO -0.17 0.27 0.63 0.00 0.00 0.00 0.00 179.25 179.98 2qec h ALA 168 N 1.12 1.58 -0.21 0.00 0.00 -0.79 -0.53 119.26 120.42 2qec h ALA 168 Ca 0.20 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2qec h ALA 168 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2qec h ALA 168 CO -0.03 0.14 -0.44 1.96 0.00 0.00 0.00 179.25 180.87 2qec h GLN 169 N 0.92 0.53 -0.19 0.00 4.20 -0.55 0.29 115.11 120.30 2qec h GLN 169 Ca 0.52 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2qec h GLN 169 Cb 0.63 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2qec h GLN 169 CO -0.30 0.87 0.06 1.25 -0.67 0.00 0.00 178.83 180.04 2qec h LEU 170 N 0.43 0.28 -0.55 1.46 5.85 -0.84 -2.02 115.31 119.92 2qec h LEU 170 Ca 0.03 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2qec h LEU 170 Cb 0.95 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2qec h LEU 170 CO 0.08 0.41 -0.07 1.88 -0.34 0.00 0.00 178.44 180.41 2qec h TYR 171 N 0.14 1.12 -1.00 1.25 0.05 -1.04 -2.68 116.97 114.81 2qec h TYR 171 Ca 0.06 -0.22 0.10 0.00 0.05 0.00 0.00 58.73 58.72 2qec h TYR 171 Cb 0.23 -0.28 -0.08 0.00 1.01 0.00 0.00 36.73 37.61 2qec h TYR 171 CO 0.00 1.03 0.64 -0.97 -1.05 0.00 0.00 178.16 177.81 2qec h ASN 172 N 0.89 0.98 0.71 3.88 -0.00 -0.89 -1.39 115.58 119.75 2qec h ASN 172 Ca 0.15 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.45 2qec h ASN 172 Cb 0.63 -0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 38.77 2qec h ASN 172 CO 0.04 0.57 -0.11 0.03 -0.00 0.00 0.00 177.43 177.96 2qec h ARG 173 N 1.08 0.00 -0.37 6.67 3.08 -1.04 -2.56 114.38 121.24 2qec h ARG 173 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2qec h ARG 173 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2qec h ARG 173 CO -0.22 0.11 0.00 1.28 -1.07 0.00 0.00 179.97 180.06 2qec n LEU 174 N -3.35 2.04 0.00 3.04 4.77 -0.61 -4.93 117.00 117.96 2qec n LEU 174 Ca -0.01 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 2qec n LEU 174 Cb 0.30 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2qec n LEU 174 CO 0.29 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2qec n GLY 175 N 1.11 0.69 3.73 -0.72 0.00 -0.96 -5.07 105.19 103.97 2qec n GLY 175 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2qec n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qec s PHE 176 N -2.10 3.69 0.11 1.61 0.40 -0.69 -4.39 117.98 116.60 2qec s PHE 176 Ca 0.00 1.67 0.04 0.00 -0.60 0.00 0.00 56.93 58.04 2qec s PHE 176 Cb 0.00 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 2qec s PHE 176 CO 0.00 -0.27 0.09 0.14 0.70 0.00 0.00 175.22 175.88 2qec s VAL 177 N -0.03 4.44 0.42 -0.44 -7.23 0.75 -3.86 120.40 114.45 2qec s VAL 177 Ca 0.49 -0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 59.51 2qec s VAL 177 Cb -0.26 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.42 2qec s VAL 177 CO 0.32 0.05 1.12 -2.16 -0.31 0.00 0.00 175.10 174.12 2qec s PRO 178 N -2.62 4.00 -0.23 4.82 0.04 -1.26 -0.92 135.00 138.83 2qec s PRO 178 Ca 0.29 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.87 2qec s PRO 178 Cb -0.11 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 2qec s PRO 178 CO 0.22 -0.32 -0.31 1.28 0.04 0.00 0.00 177.00 177.90 2qec n LEU 179 N -0.15 1.94 0.00 -3.56 4.77 0.03 -4.85 117.00 115.18 2qec n LEU 179 Ca 0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2qec n LEU 179 Cb 0.48 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2qec n LEU 179 CO 0.48 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2qec n GLY 180 N 1.36 -2.59 3.78 -0.72 0.00 -1.14 -5.00 105.19 100.87 2qec n GLY 180 Ca -0.35 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 2qec n GLY 180 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qec s TYR 181 N -2.19 3.80 -0.14 1.61 2.02 -1.26 -0.74 117.35 120.45 2qec s TYR 181 Ca 0.00 1.41 -0.21 0.00 -0.37 0.00 0.00 57.07 57.90 2qec s TYR 181 Cb 0.00 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 2qec s TYR 181 CO 0.00 0.46 0.60 0.42 -1.57 0.00 0.00 175.55 175.46 2qec s ILE 182 N -0.73 5.08 0.28 2.71 1.01 -0.07 -4.93 121.20 124.55 2qec s ILE 182 Ca 0.33 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 2qec s ILE 182 Cb -0.21 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 2qec s ILE 182 CO 0.22 0.21 1.55 -2.84 0.00 0.00 0.00 174.94 174.08 2qec s PRO 183 N 1.26 4.17 -0.10 2.79 0.02 -1.26 -3.88 135.00 138.00 2qec s PRO 183 Ca 0.30 2.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.80 2qec s PRO 183 Cb -0.16 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 2qec s PRO 183 CO 0.12 -0.57 -0.04 -1.54 -0.33 0.00 0.00 177.00 174.64 2qec s SER 184 N 0.48 4.83 0.27 2.53 1.04 -1.26 -5.01 113.70 116.58 2qec s SER 184 Ca 0.62 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 57.06 2qec s SER 184 Cb -0.46 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 2qec s SER 184 CO 0.46 0.30 0.42 -0.62 0.98 0.00 0.00 173.24 174.78 2qec s ASP 185 N -0.43 6.32 0.00 7.02 2.15 -1.26 -4.56 116.67 125.90 2qec s ASP 185 Ca 0.07 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.29 2qec s ASP 185 Cb -0.12 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2qec s ASP 185 CO 0.02 -0.14 0.00 0.47 -0.17 0.00 0.00 175.17 175.35 2qec n ASP 186 N -1.41 0.00 -4.98 -0.34 10.43 -1.26 -4.80 116.55 114.18 2qec n ASP 186 Ca -0.07 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.09 2qec n ASP 186 Cb 0.56 -0.04 0.02 0.00 1.84 0.00 0.00 41.12 43.51 2qec n ASP 186 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 2qec s ASP 187 N -0.07 5.50 0.00 -2.24 3.84 -1.26 -5.12 116.67 117.32 2qec s ASP 187 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 52.55 52.45 2qec s ASP 187 Cb 0.00 -0.92 0.00 0.00 -1.38 0.00 0.00 42.92 40.62 2qec s ASP 187 CO 0.00 -0.93 0.00 0.61 -0.00 0.00 0.00 175.17 174.85 2qec n GLY 188 N -2.13 -1.08 3.60 2.12 0.00 -1.26 -4.82 105.19 101.62 2qec n GLY 188 Ca 0.07 -1.24 -0.56 0.00 0.00 0.00 0.00 46.02 44.29 2qec n GLY 188 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qec n THR 189 N 0.00 0.05 -1.58 2.61 -1.04 -1.26 -4.85 114.28 108.21 2qec n THR 189 Ca 0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 2qec n THR 189 Cb 0.00 -0.66 0.02 0.00 -1.82 0.00 0.00 70.33 67.87 2qec n THR 189 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2qec n PRO 190 N 2.82 1.13 -3.29 -2.82 -0.02 -1.26 -4.96 135.00 126.60 2qec n PRO 190 Ca 0.21 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 2qec n PRO 190 Cb 0.14 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 2qec n PRO 190 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qec s GLU 191 N -2.01 4.09 -0.49 -0.52 2.02 -1.25 -4.86 118.70 115.68 2qec s GLU 191 Ca 0.65 0.63 -0.18 0.00 0.02 0.00 0.00 54.97 56.09 2qec s GLU 191 Cb -0.55 -3.02 0.06 0.00 0.10 0.00 0.00 34.13 30.72 2qec s GLU 191 CO 0.56 0.51 0.53 -1.17 0.02 0.00 0.00 175.26 175.71 2qec s LEU 192 N -1.70 5.15 1.06 1.80 2.96 -0.10 -0.89 118.68 126.95 2qec s LEU 192 Ca 0.36 -1.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 2qec s LEU 192 Cb -0.17 -2.36 0.22 0.00 0.50 0.00 0.00 46.19 44.38 2qec s LEU 192 CO 0.19 -0.78 1.07 0.00 -1.32 0.00 0.00 176.35 175.51 2qec s ALA 193 N 2.27 0.39 -0.30 5.97 0.00 0.08 -0.25 121.76 129.93 2qec s ALA 193 Ca 0.11 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 2qec s ALA 193 Cb -0.20 -3.23 0.18 0.00 0.00 0.00 0.00 23.12 19.86 2qec s ALA 193 CO 0.11 -3.26 1.10 -0.46 0.00 0.00 0.00 175.76 173.25 2qec s TRP 195 N -2.68 -0.41 -0.36 0.00 -0.11 -0.10 -0.78 118.94 114.50 2qec s TRP 195 Ca 0.67 0.75 -0.18 0.00 1.22 0.00 0.00 56.10 58.56 2qec s TRP 195 Cb -0.22 0.25 -0.00 0.00 -1.50 0.00 0.00 33.47 32.00 2qec s TRP 195 CO 0.61 -0.21 0.49 0.21 -4.62 0.00 0.00 176.95 173.44 2qec s LYS 196 N 1.91 3.56 0.74 5.86 2.20 0.51 -0.18 119.74 134.33 2qec s LYS 196 Ca -0.04 -0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 2qec s LYS 196 Cb -0.04 -3.83 0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2qec s LYS 196 CO -0.15 -0.66 1.08 -1.25 -0.36 0.00 0.00 175.35 174.01 2qec s PRO 197 N 2.35 2.50 0.83 4.03 0.04 -1.26 -1.53 135.00 141.96 2qec s PRO 197 Ca 0.17 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 2qec s PRO 197 Cb -0.16 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.54 2qec s PRO 197 CO 0.13 -1.45 1.10 -1.25 0.04 0.00 0.00 177.00 175.57 2qec s PRO 198 N -4.83 1.82 0.00 0.56 0.04 -1.26 -4.52 135.00 126.80 2qec s PRO 198 Ca 0.61 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2qec s PRO 198 Cb -0.17 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2qec s PRO 198 CO 0.54 -1.81 0.00 0.00 0.04 0.00 0.00 177.00 175.76 2qec n ALA 199 N -3.57 0.00 -2.80 8.56 0.00 -0.44 -4.96 120.51 117.30 2qec n ALA 199 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 2qec n ALA 199 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 2qec n ALA 199 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qec s PRO 201 N 0.00 3.68 0.20 0.00 0.04 -1.26 -5.06 135.00 132.60 2qec s PRO 201 Ca 0.00 -0.27 -0.11 0.00 0.04 0.00 0.00 61.00 60.66 2qec s PRO 201 Cb 0.00 -3.17 0.17 0.00 0.04 0.00 0.00 34.50 31.55 2qec s PRO 201 CO 0.00 0.50 1.85 1.15 0.04 0.00 0.00 177.00 180.54 2qec h THR 202 N 4.45 1.10 0.00 1.26 2.02 -2.07 -3.59 112.91 116.08 2qec h THR 202 Ca -0.45 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2qec h THR 202 Cb 1.19 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2qec h THR 202 CO 0.65 0.15 0.00 0.55 0.37 0.00 0.00 175.52 177.24