#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c14 n PHE 3 N 0.00 0.00 -0.77 1.61 1.16 -0.91 -2.62 117.46 115.93 1c14 n PHE 3 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.66 1c14 n PHE 3 Cb 0.00 -0.20 0.20 0.00 -1.61 0.00 0.00 39.48 37.87 1c14 n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1c14 n LEU 4 N -1.20 3.31 -4.72 5.98 4.77 0.54 -4.51 117.00 121.17 1c14 n LEU 4 Ca 0.15 -2.75 -0.42 0.00 -0.03 0.00 0.00 56.01 52.96 1c14 n LEU 4 Cb 0.18 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1c14 n LEU 4 CO 0.19 0.68 1.16 -0.44 -1.33 0.00 0.00 177.39 177.66 1c14 s SER 5 N -1.83 6.67 0.00 -1.43 0.01 -1.01 -1.86 113.70 114.24 1c14 s SER 5 Ca 0.34 2.54 0.00 0.00 1.31 0.00 0.00 55.95 60.13 1c14 s SER 5 Cb 0.26 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1c14 s SER 5 CO 0.09 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1c14 n GLY 6 N 3.47 0.70 3.55 3.44 0.00 -1.24 -4.97 105.19 110.14 1c14 n GLY 6 Ca 0.12 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1c14 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c14 s LYS 7 N -0.69 2.48 -0.23 1.61 -0.14 -0.78 -5.02 119.74 116.97 1c14 s LYS 7 Ca 0.00 -0.74 0.01 0.00 -1.36 0.00 0.00 55.97 53.88 1c14 s LYS 7 Cb 0.00 -2.43 0.04 0.00 -1.68 0.00 0.00 37.83 33.75 1c14 s LYS 7 CO 0.00 0.60 -0.12 1.03 -0.76 0.00 0.00 175.35 176.10 1c14 s ARG 8 N -1.21 2.69 -0.03 1.68 0.52 -1.26 0.02 118.95 121.36 1c14 s ARG 8 Ca 0.15 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.35 1c14 s ARG 8 Cb -0.11 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 1c14 s ARG 8 CO 0.05 -0.40 -0.18 0.42 0.02 0.00 0.00 175.30 175.21 1c14 s ILE 9 N 1.24 1.46 -0.09 1.52 -1.09 0.27 -1.52 121.20 123.00 1c14 s ILE 9 Ca -0.01 -0.75 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 1c14 s ILE 9 Cb -0.17 -1.24 -0.05 0.00 -1.58 0.00 0.00 42.46 39.42 1c14 s ILE 9 CO -0.07 0.42 0.41 -0.22 -1.23 0.00 0.00 174.94 174.24 1c14 s LEU 10 N -0.11 4.34 -0.15 2.97 2.96 -0.84 -2.09 118.68 125.75 1c14 s LEU 10 Ca -0.01 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1c14 s LEU 10 Cb -0.10 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1c14 s LEU 10 CO 0.01 0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.31 1c14 s VAL 11 N -0.02 2.44 0.36 1.68 1.01 0.65 -0.51 120.40 126.01 1c14 s VAL 11 Ca 0.23 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1c14 s VAL 11 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1c14 s VAL 11 CO 0.10 0.53 0.28 0.42 0.00 0.00 0.00 175.10 176.43 1c14 s THR 12 N 0.79 3.10 -0.55 3.92 -4.23 -0.65 -2.41 115.64 115.60 1c14 s THR 12 Ca -0.06 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1c14 s THR 12 Cb -0.15 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1c14 s THR 12 CO -0.00 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1c14 n GLY 13 N -1.37 0.78 3.52 3.99 0.00 -1.25 -4.15 105.19 106.72 1c14 n GLY 13 Ca -0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1c14 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c14 s VAL 14 N -2.17 4.23 -0.17 1.61 1.01 -1.26 -4.48 120.40 119.17 1c14 s VAL 14 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1c14 s VAL 14 Cb 0.00 -4.65 -0.23 0.00 0.00 0.00 0.00 36.38 31.50 1c14 s VAL 14 CO 0.00 -1.33 0.17 0.00 0.00 0.00 0.00 175.10 173.94 1c14 n ALA 15 N 7.93 1.22 -3.40 5.51 0.00 -1.26 -4.80 120.51 125.71 1c14 n ALA 15 Ca 0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 53.44 52.57 1c14 n ALA 15 Cb 0.47 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 19.48 1c14 n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1c14 n SER 16 N -3.27 -1.03 0.00 0.00 3.41 -1.26 -4.92 113.62 106.55 1c14 n SER 16 Ca -0.35 -1.79 0.09 0.00 -0.26 0.00 0.00 58.87 56.56 1c14 n SER 16 Cb 1.04 1.73 0.44 0.00 -0.26 0.00 0.00 64.21 67.16 1c14 n SER 16 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1c14 n LYS 17 N -0.26 0.20 0.00 4.33 0.00 -1.26 -1.77 118.16 119.39 1c14 n LYS 17 Ca -0.03 0.14 0.11 0.00 -0.00 0.00 0.00 58.31 58.52 1c14 n LYS 17 Cb 0.28 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.82 1c14 n LYS 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1c14 n LEU 18 N -1.34 2.12 -4.77 -5.58 4.77 -1.26 -4.80 117.00 106.14 1c14 n LEU 18 Ca 0.08 -0.78 -0.39 0.00 -0.03 0.00 0.00 56.01 54.88 1c14 n LEU 18 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1c14 n LEU 18 CO 0.14 0.39 0.88 -0.44 -1.33 0.00 0.00 177.39 177.04 1c14 s SER 19 N -2.42 6.69 0.38 -1.43 0.01 -0.73 -4.65 113.70 111.54 1c14 s SER 19 Ca 0.19 2.46 0.05 0.00 1.31 0.00 0.00 55.95 59.96 1c14 s SER 19 Cb 0.18 -2.63 0.74 0.00 0.21 0.00 0.00 66.02 64.53 1c14 s SER 19 CO 0.54 -0.57 2.03 0.40 0.41 0.00 0.00 173.24 176.06 1c14 h ILE 20 N 2.66 1.13 -0.58 1.44 2.04 -1.89 -1.61 117.51 120.70 1c14 h ILE 20 Ca -0.49 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1c14 h ILE 20 Cb 1.23 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1c14 h ILE 20 CO 0.64 0.13 0.28 0.00 0.00 0.00 0.00 178.15 179.20 1c14 h ALA 21 N 1.67 0.75 -0.40 1.87 0.00 -1.84 -0.01 119.26 121.30 1c14 h ALA 21 Ca 0.20 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1c14 h ALA 21 Cb -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1c14 h ALA 21 CO -0.04 0.31 0.19 -0.92 0.00 0.00 0.00 179.25 178.78 1c14 h TYR 22 N 0.79 0.35 -0.02 0.00 3.20 -1.57 0.28 116.97 119.99 1c14 h TYR 22 Ca 0.20 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1c14 h TYR 22 Cb 0.12 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1c14 h TYR 22 CO -0.00 0.17 -0.40 0.78 -1.64 0.00 0.00 178.16 177.07 1c14 h GLY 23 N 0.39 0.04 0.74 1.82 0.00 -1.10 -2.33 103.07 102.62 1c14 h GLY 23 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 1c14 h GLY 23 CO -0.13 0.03 -0.26 -2.22 0.00 0.00 0.00 176.54 173.96 1c14 h ILE 24 N 0.03 1.38 -0.99 2.60 2.04 0.16 -2.82 117.51 119.92 1c14 h ILE 24 Ca -0.00 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.32 1c14 h ILE 24 Cb 0.73 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1c14 h ILE 24 CO 0.05 0.45 0.65 0.00 0.00 0.00 0.00 178.15 179.31 1c14 h ALA 25 N 0.52 1.25 -0.44 1.87 0.00 -0.32 -0.99 119.26 121.16 1c14 h ALA 25 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1c14 h ALA 25 Cb 0.85 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1c14 h ALA 25 CO 0.06 0.65 0.24 1.96 0.00 0.00 0.00 179.25 182.16 1c14 h GLN 26 N 1.34 0.47 -0.33 0.00 4.20 -1.41 0.49 115.11 119.87 1c14 h GLN 26 Ca 0.36 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 1c14 h GLN 26 Cb -0.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1c14 h GLN 26 CO -0.08 0.31 0.09 0.00 -0.67 0.00 0.00 178.83 178.48 1c14 h ALA 27 N 1.21 0.44 -0.69 3.87 0.00 -1.19 0.13 119.26 123.02 1c14 h ALA 27 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1c14 h ALA 27 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1c14 h ALA 27 CO -0.10 0.09 0.24 0.52 0.00 0.00 0.00 179.25 180.00 1c14 h MET 28 N 0.38 1.05 -0.31 0.00 2.86 -0.71 -1.41 114.93 116.78 1c14 h MET 28 Ca 0.10 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1c14 h MET 28 Cb 0.28 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1c14 h MET 28 CO -0.00 0.90 -0.28 1.25 1.06 0.00 0.00 176.91 179.84 1c14 h HIS 29 N 1.00 0.74 0.00 -0.22 6.17 0.17 -1.73 115.15 121.28 1c14 h HIS 29 Ca 0.23 -0.18 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 1c14 h HIS 29 Cb 0.26 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.01 1c14 h HIS 29 CO 0.02 0.85 -0.18 -0.09 0.71 0.00 0.00 177.93 179.24 1c14 h ARG 30 N 0.56 0.00 -0.53 5.26 2.43 -0.35 -2.55 114.38 119.21 1c14 h ARG 30 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1c14 h ARG 30 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1c14 h ARG 30 CO 0.06 0.18 0.00 0.39 -1.51 0.00 0.00 179.97 179.09 1c14 n GLU 31 N -3.73 2.37 -0.40 0.20 -0.58 -0.57 -4.72 120.64 113.21 1c14 n GLU 31 Ca -0.02 -1.77 0.00 0.00 -0.42 0.00 0.00 57.16 54.95 1c14 n GLU 31 Cb 0.29 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1c14 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c14 n GLY 32 N 1.09 0.76 3.83 0.62 0.00 -0.96 -0.34 105.19 110.20 1c14 n GLY 32 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1c14 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c14 s ALA 33 N -2.30 3.28 -0.10 4.61 0.00 -0.87 -3.65 121.76 122.72 1c14 s ALA 33 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1c14 s ALA 33 Cb 0.00 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1c14 s ALA 33 CO 0.00 0.27 0.34 -1.21 0.00 0.00 0.00 175.76 175.16 1c14 s GLU 34 N -2.67 4.08 0.25 0.00 2.02 0.10 -4.46 118.70 118.03 1c14 s GLU 34 Ca 0.52 0.21 0.11 0.00 0.02 0.00 0.00 54.97 55.84 1c14 s GLU 34 Cb -0.12 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 1c14 s GLU 34 CO 0.18 0.42 -0.19 -0.51 0.02 0.00 0.00 175.26 175.17 1c14 s LEU 35 N -0.11 2.56 -0.00 1.80 1.43 -1.26 -0.57 118.68 122.52 1c14 s LEU 35 Ca 0.20 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1c14 s LEU 35 Cb -0.14 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1c14 s LEU 35 CO 0.07 0.01 -0.02 0.00 0.23 0.00 0.00 176.35 176.64 1c14 s ALA 36 N -2.46 0.24 0.13 4.21 0.00 -0.89 -4.69 121.76 118.30 1c14 s ALA 36 Ca 0.27 -0.09 0.11 0.00 0.00 0.00 0.00 51.96 52.25 1c14 s ALA 36 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1c14 s ALA 36 CO 0.13 0.04 -0.26 -0.06 0.00 0.00 0.00 175.76 175.61 1c14 s PHE 37 N 0.05 2.23 0.15 0.00 0.40 0.28 -0.25 117.98 120.84 1c14 s PHE 37 Ca -0.00 -0.38 0.11 0.00 -0.60 0.00 0.00 56.93 56.05 1c14 s PHE 37 Cb -0.02 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1c14 s PHE 37 CO -0.00 0.34 -0.24 0.95 0.70 0.00 0.00 175.22 176.96 1c14 s THR 38 N -1.15 2.40 -0.03 0.64 -4.23 -1.01 -0.30 115.64 111.96 1c14 s THR 38 Ca 0.14 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1c14 s THR 38 Cb -0.10 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 1c14 s THR 38 CO 0.06 0.02 -0.16 -0.72 -0.54 0.00 0.00 174.62 173.28 1c14 s TYR 39 N -1.28 1.57 0.26 3.99 1.13 -0.29 -4.44 117.35 118.30 1c14 s TYR 39 Ca 0.17 -0.39 -0.04 0.00 -1.41 0.00 0.00 57.07 55.40 1c14 s TYR 39 Cb -0.09 -1.04 0.32 0.00 -1.10 0.00 0.00 41.96 40.05 1c14 s TYR 39 CO 0.08 -0.11 1.85 0.37 -2.51 0.00 0.00 175.55 175.23 1c14 h GLN 40 N 6.07 1.04 0.00 -3.49 4.15 -1.88 0.57 115.11 121.56 1c14 h GLN 40 Ca -0.34 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 58.79 1c14 h GLN 40 Cb 1.16 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 1c14 h GLN 40 CO 0.48 0.82 0.00 0.27 -1.93 0.00 0.00 178.83 178.47 1c14 n ASN 41 N -4.31 -1.15 0.20 -0.69 0.23 -1.26 -4.35 115.26 103.93 1c14 n ASN 41 Ca 0.07 -2.22 0.14 0.00 -0.53 0.00 0.00 54.58 52.04 1c14 n ASN 41 Cb 0.16 2.04 0.38 0.00 -2.08 0.00 0.00 39.78 40.28 1c14 n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1c14 h ASP 42 N 1.34 0.00 0.11 0.53 3.32 -1.99 0.21 116.42 119.94 1c14 h ASP 42 Ca -0.20 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1c14 h ASP 42 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1c14 h ASP 42 CO 0.26 0.00 -0.34 0.50 -1.72 0.00 0.00 179.24 177.95 1c14 h LYS 43 N 0.00 0.33 0.00 3.56 3.64 -2.01 -3.16 116.57 118.93 1c14 h LYS 43 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1c14 h LYS 43 Cb 0.76 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1c14 h LYS 43 CO 0.00 0.64 -1.73 1.28 -2.27 0.00 0.00 179.45 177.37 1c14 n LEU 44 N -4.08 0.23 0.00 5.20 4.32 -1.07 -4.78 117.00 116.81 1c14 n LEU 44 Ca -0.01 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1c14 n LEU 44 Cb 0.44 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1c14 n LEU 44 CO 0.42 -0.04 0.45 1.17 -1.22 0.00 0.00 177.39 178.16 1c14 n LYS 45 N -2.34 0.00 -0.30 3.23 4.81 0.04 -2.52 118.16 121.08 1c14 n LYS 45 Ca -0.03 0.89 0.10 0.00 -0.87 0.00 0.00 58.31 58.41 1c14 n LYS 45 Cb 0.56 -1.35 0.33 0.00 0.02 0.00 0.00 35.03 34.58 1c14 n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1c14 h GLY 46 N 0.00 1.37 0.89 3.14 0.00 -1.86 -2.20 103.07 104.41 1c14 h GLY 46 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1c14 h GLY 46 CO 0.00 0.12 -0.15 -0.09 0.00 0.00 0.00 176.54 176.42 1c14 h ARG 47 N 0.81 -0.35 -0.33 4.80 9.65 -1.85 -0.90 114.38 126.21 1c14 h ARG 47 Ca 0.47 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.36 1c14 h ARG 47 Cb 0.63 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 1c14 h ARG 47 CO -0.23 -0.23 0.15 0.28 2.80 0.00 0.00 179.97 182.73 1c14 h VAL 48 N -0.36 1.12 -0.39 0.20 2.07 -1.18 -1.36 116.25 116.35 1c14 h VAL 48 Ca -0.01 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1c14 h VAL 48 Cb 0.32 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1c14 h VAL 48 CO 0.00 0.14 -0.15 -0.33 0.02 0.00 0.00 177.57 177.25 1c14 h GLU 49 N 0.46 0.72 -0.42 1.57 5.08 -0.74 -0.48 114.58 120.78 1c14 h GLU 49 Ca 0.12 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1c14 h GLU 49 Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1c14 h GLU 49 CO -0.01 0.83 0.05 0.93 -1.00 0.00 0.00 179.01 179.81 1c14 h GLU 50 N 0.64 0.70 -0.32 2.33 5.08 -0.07 -1.82 114.58 121.12 1c14 h GLU 50 Ca 0.10 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1c14 h GLU 50 Cb 0.62 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1c14 h GLU 50 CO 0.04 0.75 -0.14 0.74 -1.00 0.00 0.00 179.01 179.40 1c14 h PHE 51 N 0.55 0.62 -0.14 4.33 0.05 -1.24 -2.29 116.94 118.82 1c14 h PHE 51 Ca 0.12 -0.11 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 1c14 h PHE 51 Cb 0.41 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1c14 h PHE 51 CO 0.03 0.69 0.06 0.00 -0.18 0.00 0.00 178.31 178.91 1c14 h ALA 52 N 1.33 0.19 -0.55 2.45 0.00 -0.88 -1.39 119.26 120.41 1c14 h ALA 52 Ca 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1c14 h ALA 52 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1c14 h ALA 52 CO 0.04 -0.23 0.20 0.00 0.00 0.00 0.00 179.25 179.25 1c14 h ALA 53 N 0.91 0.68 -0.44 0.00 0.00 -1.13 0.42 119.26 119.71 1c14 h ALA 53 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1c14 h ALA 53 Cb 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1c14 h ALA 53 CO -0.00 -0.20 0.14 1.96 0.00 0.00 0.00 179.25 181.15 1c14 h GLN 54 N 0.38 0.63 -0.72 0.00 4.20 -1.20 -0.32 115.11 118.09 1c14 h GLN 54 Ca 0.27 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1c14 h GLN 54 Cb 0.30 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1c14 h GLN 54 CO -0.27 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 179.72 1c14 n LEU 55 N -4.34 3.29 -2.99 1.46 4.77 -0.42 -4.90 117.00 113.87 1c14 n LEU 55 Ca 0.03 -1.67 -0.22 0.00 -0.03 0.00 0.00 56.01 54.13 1c14 n LEU 55 Cb 0.17 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1c14 n LEU 55 CO 0.38 0.46 0.05 0.61 -1.33 0.00 0.00 177.39 177.56 1c14 n GLY 56 N 0.46 -0.46 3.23 -0.72 0.00 -0.13 -4.79 105.19 102.77 1c14 n GLY 56 Ca 0.14 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 1c14 n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c14 s SER 57 N -2.85 2.62 -0.17 1.61 0.15 0.14 -4.92 113.70 110.28 1c14 s SER 57 Ca 0.35 -0.42 0.16 0.00 0.70 0.00 0.00 55.95 56.73 1c14 s SER 57 Cb -0.15 -0.51 0.39 0.00 -1.71 0.00 0.00 66.02 64.04 1c14 s SER 57 CO 0.43 0.24 1.25 -0.90 1.20 0.00 0.00 173.24 175.46 1c14 n ASP 58 N 2.78 2.51 -4.18 5.45 5.75 -1.26 -2.96 116.55 124.65 1c14 n ASP 58 Ca -0.17 -3.33 -0.39 0.00 -0.01 0.00 0.00 54.79 50.89 1c14 n ASP 58 Cb 0.52 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 40.02 1c14 n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1c14 s ILE 59 N -2.99 3.86 -0.22 2.12 1.01 -1.26 -5.03 121.20 118.69 1c14 s ILE 59 Ca 0.37 -1.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.08 1c14 s ILE 59 Cb 0.33 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 39.29 1c14 s ILE 59 CO 0.02 -0.75 0.06 -0.69 0.00 0.00 0.00 174.94 173.58 1c14 s VAL 60 N 1.26 0.47 -0.04 2.92 1.01 -1.25 -0.55 120.40 124.21 1c14 s VAL 60 Ca 0.07 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1c14 s VAL 60 Cb -0.25 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1c14 s VAL 60 CO -0.02 -0.35 -0.15 -0.76 0.00 0.00 0.00 175.10 173.81 1c14 s LEU 61 N 1.86 2.67 0.20 3.92 1.43 0.58 -4.95 118.68 124.39 1c14 s LEU 61 Ca 0.02 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 1c14 s LEU 61 Cb -0.17 -1.54 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1c14 s LEU 61 CO -0.14 0.33 1.12 -1.58 0.23 0.00 0.00 176.35 176.32 1c14 s GLN 62 N -0.80 4.58 -0.23 1.70 2.00 -1.26 -1.13 119.66 124.51 1c14 s GLN 62 Ca 0.12 1.77 -0.11 0.00 -2.00 0.00 0.00 55.36 55.14 1c14 s GLN 62 Cb -0.11 -3.25 0.08 0.00 0.80 0.00 0.00 33.01 30.54 1c14 s GLN 62 CO 0.01 0.06 0.54 0.00 -0.50 0.00 0.00 175.29 175.40 1c14 s ASP 64 N 1.99 4.31 0.00 0.00 2.15 -1.26 -3.48 116.67 120.38 1c14 s ASP 64 Ca -0.07 -1.58 0.06 0.00 0.43 0.00 0.00 52.55 51.39 1c14 s ASP 64 Cb -0.09 -1.39 0.36 0.00 -0.30 0.00 0.00 42.92 41.51 1c14 s ASP 64 CO -0.16 -0.28 0.77 1.33 -0.17 0.00 0.00 175.17 176.65 1c14 n VAL 65 N 4.49 0.00 0.48 1.11 0.24 -1.26 -1.53 118.33 121.86 1c14 n VAL 65 Ca -0.07 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.36 1c14 n VAL 65 Cb 0.43 -0.75 0.28 0.00 -1.47 0.00 0.00 33.84 32.32 1c14 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c14 h ALA 66 N 2.26 0.89 -3.12 2.33 0.00 -1.95 -3.44 119.26 116.23 1c14 h ALA 66 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1c14 h ALA 66 Cb 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.47 1c14 h ALA 66 CO 0.00 0.00 -0.78 -1.21 0.00 0.00 0.00 179.25 177.26 1c14 s GLU 67 N -3.16 3.05 0.17 0.00 0.41 -0.58 -5.01 118.70 113.58 1c14 s GLU 67 Ca 0.08 -0.82 -0.15 0.00 -0.41 0.00 0.00 54.97 53.68 1c14 s GLU 67 Cb 0.10 -2.83 0.10 0.00 -1.78 0.00 0.00 34.13 29.72 1c14 s GLU 67 CO 0.65 -0.27 1.77 -0.44 -0.49 0.00 0.00 175.26 176.49 1c14 h ASP 68 N 8.01 0.27 0.03 -0.19 3.32 -1.86 -1.14 116.42 124.86 1c14 h ASP 68 Ca -0.40 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1c14 h ASP 68 Cb 1.14 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1c14 h ASP 68 CO 0.61 0.20 -0.03 0.00 -1.72 0.00 0.00 179.24 178.29 1c14 h ALA 69 N 1.25 1.89 -0.06 3.45 0.00 -1.95 0.37 119.26 124.21 1c14 h ALA 69 Ca 0.19 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 1c14 h ALA 69 Cb 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1c14 h ALA 69 CO -0.16 0.03 -0.92 1.03 0.00 0.00 0.00 179.25 179.24 1c14 h SER 70 N 0.00 0.92 -0.24 0.00 0.87 -1.53 0.14 113.55 113.72 1c14 h SER 70 Ca -0.00 -0.69 -0.05 0.00 -1.23 0.00 0.00 61.79 59.82 1c14 h SER 70 Cb 0.05 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1c14 h SER 70 CO 0.00 1.48 -0.03 0.40 -0.53 0.00 0.00 176.83 178.15 1c14 h ILE 71 N 0.44 1.27 -0.25 2.23 2.04 -0.59 -2.08 117.51 120.57 1c14 h ILE 71 Ca -0.10 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1c14 h ILE 71 Cb 1.57 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 1c14 h ILE 71 CO 0.18 0.31 0.08 0.44 0.00 0.00 0.00 178.15 179.16 1c14 h ASP 72 N 0.20 0.09 -0.39 1.72 3.32 -0.19 -2.03 116.42 119.13 1c14 h ASP 72 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1c14 h ASP 72 Cb 0.47 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1c14 h ASP 72 CO 0.02 0.08 0.16 0.74 -1.72 0.00 0.00 179.24 178.52 1c14 h THR 73 N 0.19 1.19 -0.50 0.35 2.02 -0.70 -2.56 112.91 112.90 1c14 h THR 73 Ca 0.11 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 66.77 1c14 h THR 73 Cb 0.08 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1c14 h THR 73 CO -0.12 0.21 0.20 -0.03 0.37 0.00 0.00 175.52 176.15 1c14 h MET 74 N 0.48 0.37 0.00 6.66 1.85 -1.09 -0.39 114.93 122.82 1c14 h MET 74 Ca 0.13 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.15 1c14 h MET 74 Cb 0.18 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1c14 h MET 74 CO -0.01 0.25 -0.22 0.74 -0.40 0.00 0.00 176.91 177.26 1c14 h PHE 75 N 0.39 0.00 -0.18 1.39 0.04 -1.19 0.13 116.94 117.51 1c14 h PHE 75 Ca 0.24 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 1c14 h PHE 75 Cb 0.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1c14 h PHE 75 CO -0.15 0.22 -0.19 0.00 -0.60 0.00 0.00 178.31 177.59 1c14 h ALA 76 N 1.78 0.27 -0.12 2.45 0.00 -0.71 0.43 119.26 123.35 1c14 h ALA 76 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1c14 h ALA 76 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1c14 h ALA 76 CO 0.03 0.19 -0.39 0.93 0.00 0.00 0.00 179.25 180.01 1c14 h GLU 77 N 0.10 0.26 -0.24 0.00 4.39 -0.67 -2.98 114.58 115.44 1c14 h GLU 77 Ca 0.03 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1c14 h GLU 77 Cb 0.74 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1c14 h GLU 77 CO 0.05 0.62 -0.05 1.25 -1.16 0.00 0.00 179.01 179.72 1c14 h LEU 78 N 0.22 0.45 -2.08 1.33 5.85 -0.52 -2.77 115.31 117.79 1c14 h LEU 78 Ca 0.02 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.48 1c14 h LEU 78 Cb 0.79 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1c14 h LEU 78 CO 0.06 0.70 0.34 1.23 -0.34 0.00 0.00 178.44 180.43 1c14 h GLY 79 N 0.19 0.00 1.73 3.75 0.00 -0.76 0.26 103.07 108.24 1c14 h GLY 79 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1c14 h GLY 79 CO 0.02 0.00 0.15 0.50 0.00 0.00 0.00 176.54 177.21 1c14 h LYS 80 N 0.00 0.24 0.00 4.80 1.57 -1.46 -1.73 116.57 119.99 1c14 h LYS 80 Ca 0.14 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.70 1c14 h LYS 80 Cb 0.83 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 1c14 h LYS 80 CO -0.00 0.16 -1.80 1.33 -0.57 0.00 0.00 179.45 178.57 1c14 n VAL 81 N -4.50 0.80 -3.79 0.50 0.24 -0.48 -4.82 118.33 106.28 1c14 n VAL 81 Ca 0.01 -0.40 -0.28 0.00 -2.04 0.00 0.00 64.34 61.63 1c14 n VAL 81 Cb 0.12 -0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 31.51 1c14 n VAL 81 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1c14 s TRP 82 N -2.28 2.92 0.33 6.34 0.51 0.81 -4.93 118.94 122.63 1c14 s TRP 82 Ca -0.13 -3.05 0.06 0.00 -2.12 0.00 0.00 56.10 50.86 1c14 s TRP 82 Cb 0.04 -2.31 0.71 0.00 -0.81 0.00 0.00 33.47 31.10 1c14 s TRP 82 CO 0.40 -0.64 1.86 -1.35 -0.51 0.00 0.00 176.95 176.71 1c14 h PRO 83 N 5.68 0.79 -3.98 4.98 0.11 -1.53 -3.29 132.00 134.76 1c14 h PRO 83 Ca 0.13 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.95 1c14 h PRO 83 Cb 0.81 -0.18 -0.26 0.00 0.11 0.00 0.00 31.00 31.48 1c14 h PRO 83 CO 0.63 0.52 -0.73 0.15 -0.21 0.00 0.00 178.00 178.37 1c14 s LYS 84 N -5.79 0.20 0.11 1.05 -0.14 -1.26 -4.70 119.74 109.22 1c14 s LYS 84 Ca -0.11 -0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.32 1c14 s LYS 84 Cb 0.22 -0.11 -0.01 0.00 -1.68 0.00 0.00 37.83 36.25 1c14 s LYS 84 CO 0.80 0.02 0.09 1.97 -0.76 0.00 0.00 175.35 177.47 1c14 n PHE 85 N 2.67 -0.22 -0.53 3.18 -1.74 0.58 -4.95 117.46 116.45 1c14 n PHE 85 Ca -0.15 -0.93 0.06 0.00 -0.56 0.00 0.00 57.45 55.87 1c14 n PHE 85 Cb 0.58 0.08 0.14 0.00 1.52 0.00 0.00 39.48 41.80 1c14 n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1c14 n ASP 86 N -2.47 2.81 0.00 5.98 8.00 -0.57 -0.46 116.55 129.84 1c14 n ASP 86 Ca 0.02 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.03 1c14 n ASP 86 Cb 0.20 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1c14 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c14 n GLY 87 N -0.42 2.34 3.20 0.44 0.00 -1.24 -1.86 105.19 107.64 1c14 n GLY 87 Ca 0.12 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1c14 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c14 s PHE 88 N -1.62 0.15 -0.28 1.61 -0.12 -1.19 -2.00 117.98 114.53 1c14 s PHE 88 Ca 0.00 -0.56 -0.05 0.00 -0.05 0.00 0.00 56.93 56.27 1c14 s PHE 88 Cb 0.00 -0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 1c14 s PHE 88 CO 0.00 -0.52 0.04 0.08 -0.05 0.00 0.00 175.22 174.76 1c14 s VAL 89 N -3.69 3.69 -0.57 -2.49 1.01 0.33 -1.71 120.40 116.96 1c14 s VAL 89 Ca 0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1c14 s VAL 89 Cb 0.04 -2.87 0.10 0.00 0.00 0.00 0.00 36.38 33.65 1c14 s VAL 89 CO -0.10 0.15 0.66 -2.28 0.00 0.00 0.00 175.10 173.53 1c14 s HIS 90 N 1.46 3.04 -0.57 5.22 2.46 1.00 -1.64 115.29 126.25 1c14 s HIS 90 Ca 0.02 -0.95 0.06 0.00 0.47 0.00 0.00 55.06 54.67 1c14 s HIS 90 Cb -0.17 -3.91 0.30 0.00 -0.13 0.00 0.00 32.58 28.67 1c14 s HIS 90 CO 0.00 -1.22 0.82 0.45 -2.47 0.00 0.00 174.74 172.33 1c14 n SER 91 N 6.15 3.60 -3.91 9.88 2.88 -1.26 -2.77 113.62 128.19 1c14 n SER 91 Ca -0.10 -3.47 -0.21 0.00 -1.33 0.00 0.00 58.87 53.76 1c14 n SER 91 Cb 0.42 -0.61 -0.16 0.00 -0.75 0.00 0.00 64.21 63.11 1c14 n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1c14 s ILE 92 N -3.28 0.66 -0.08 2.46 1.01 -1.26 -3.76 121.20 116.96 1c14 s ILE 92 Ca 0.44 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 1c14 s ILE 92 Cb 0.23 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 42.05 1c14 s ILE 92 CO -0.08 0.26 0.31 -0.83 0.00 0.00 0.00 174.94 174.60 1c14 s GLY 93 N 0.95 -0.20 -0.18 6.18 0.00 -1.26 -4.56 107.32 108.26 1c14 s GLY 93 Ca -0.10 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.00 1c14 s GLY 93 CO 0.00 0.51 0.79 -0.12 0.00 0.00 0.00 173.10 174.28 1c14 s PHE 94 N -0.41 -0.64 -0.21 1.90 5.36 -1.26 -4.96 117.98 117.76 1c14 s PHE 94 Ca -0.05 1.36 -0.18 0.00 -0.96 0.00 0.00 56.93 57.11 1c14 s PHE 94 Cb -0.03 0.36 0.06 0.00 -0.34 0.00 0.00 43.02 43.06 1c14 s PHE 94 CO 0.02 -0.44 0.56 0.00 -1.46 0.00 0.00 175.22 173.90 1c14 s ALA 95 N -0.40 -1.41 0.33 11.12 0.00 -1.26 -3.87 121.76 126.26 1c14 s ALA 95 Ca -0.04 1.70 -0.28 0.00 0.00 0.00 0.00 51.96 53.34 1c14 s ALA 95 Cb -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 23.12 21.97 1c14 s ALA 95 CO 0.03 -0.28 1.23 -2.30 0.00 0.00 0.00 175.76 174.44 1c14 n PRO 96 N 3.20 1.94 -0.30 0.00 -0.02 -1.26 -4.85 135.00 133.71 1c14 n PRO 96 Ca -0.16 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1c14 n PRO 96 Cb 0.56 -2.22 0.30 0.00 -0.02 0.00 0.00 33.50 32.13 1c14 n PRO 96 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1c14 h GLY 97 N 2.48 1.38 1.53 -1.23 0.00 -2.00 0.82 103.07 106.05 1c14 h GLY 97 Ca -0.45 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 46.93 1c14 h GLY 97 CO 0.63 -0.40 0.18 -0.55 0.00 0.00 0.00 176.54 176.39 1c14 h ASP 98 N 0.17 0.00 0.22 0.19 3.45 -1.96 -1.95 116.42 116.54 1c14 h ASP 98 Ca 0.57 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.99 1c14 h ASP 98 Cb 1.17 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 1c14 h ASP 98 CO -0.69 0.00 -0.20 1.56 -1.57 0.00 0.00 179.24 178.34 1c14 h GLN 99 N 0.00 0.00 -0.94 3.56 1.08 -1.09 -3.34 115.11 114.38 1c14 h GLN 99 Ca 0.10 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.02 1c14 h GLN 99 Cb 0.46 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.72 1c14 h GLN 99 CO -0.00 0.20 0.35 1.28 -0.95 0.00 0.00 178.83 179.70 1c14 n LEU 100 N -4.23 5.22 -3.72 1.46 4.77 -0.73 -4.48 117.00 115.29 1c14 n LEU 100 Ca -0.02 -2.74 -0.13 0.00 -0.03 0.00 0.00 56.01 53.09 1c14 n LEU 100 Cb 0.26 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 1c14 n LEU 100 CO 0.36 0.79 0.11 1.51 -1.33 0.00 0.00 177.39 178.84 1c14 s ASP 101 N -0.53 -0.47 0.00 -1.43 1.47 -1.25 -4.36 116.67 110.10 1c14 s ASP 101 Ca 0.38 0.90 0.00 0.00 1.18 0.00 0.00 52.55 55.00 1c14 s ASP 101 Cb 0.31 0.89 0.00 0.00 -0.34 0.00 0.00 42.92 43.79 1c14 s ASP 101 CO 0.08 -0.16 0.00 0.61 0.68 0.00 0.00 175.17 176.38 1c14 n GLY 102 N 2.99 -1.88 3.69 2.12 0.00 -1.26 -4.79 105.19 106.06 1c14 n GLY 102 Ca -0.14 -1.45 -0.54 0.00 0.00 0.00 0.00 46.02 43.88 1c14 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c14 n ASP 103 N 0.58 2.64 0.08 1.61 -0.08 -1.26 -4.33 116.55 115.78 1c14 n ASP 103 Ca 0.00 1.05 -0.12 0.00 -1.51 0.00 0.00 54.79 54.21 1c14 n ASP 103 Cb 0.00 -1.22 -0.05 0.00 2.34 0.00 0.00 41.12 42.19 1c14 n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1c14 h TYR 104 N 7.42 -0.55 -0.85 -0.67 3.20 -1.94 -0.97 116.97 122.61 1c14 h TYR 104 Ca -0.47 0.01 0.17 0.00 3.14 0.00 0.00 58.73 61.59 1c14 h TYR 104 Cb 1.30 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 39.75 1c14 h TYR 104 CO 0.78 -0.30 0.56 0.28 -1.64 0.00 0.00 178.16 177.84 1c14 h VAL 105 N -0.36 0.74 0.09 1.81 2.07 -1.93 -0.24 116.25 118.43 1c14 h VAL 105 Ca 0.04 -0.16 -0.27 0.00 0.82 0.00 0.00 66.70 67.13 1c14 h VAL 105 Cb 0.41 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1c14 h VAL 105 CO -0.15 0.08 -1.33 0.78 0.02 0.00 0.00 177.57 176.97 1c14 h ASN 106 N 0.45 0.30 -0.06 0.57 2.35 -1.79 -3.36 115.58 114.03 1c14 h ASN 106 Ca 0.43 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1c14 h ASN 106 Cb 0.98 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1c14 h ASN 106 CO -0.16 1.29 -0.26 0.00 -1.65 0.00 0.00 177.43 176.65 1c14 h ALA 107 N 0.66 0.12 -2.90 -0.83 0.00 -0.35 -3.46 119.26 112.49 1c14 h ALA 107 Ca -0.16 -0.42 -0.54 0.00 0.00 0.00 0.00 54.91 53.80 1c14 h ALA 107 Cb 1.95 -0.01 0.10 0.00 0.00 0.00 0.00 17.79 19.83 1c14 h ALA 107 CO 0.16 0.13 0.79 0.54 0.00 0.00 0.00 179.25 180.87 1c14 s VAL 108 N -3.67 2.12 0.20 0.00 0.11 -0.18 -4.64 120.40 114.34 1c14 s VAL 108 Ca -0.15 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1c14 s VAL 108 Cb 0.03 -3.07 -0.05 0.00 -1.53 0.00 0.00 36.38 31.76 1c14 s VAL 108 CO 0.76 0.02 0.05 0.42 -3.33 0.00 0.00 175.10 173.02 1c14 s THR 109 N -0.84 0.51 0.16 5.04 -4.23 -1.26 -4.97 115.64 110.04 1c14 s THR 109 Ca 0.55 -1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 58.92 1c14 s THR 109 Cb -0.46 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.09 1c14 s THR 109 CO 0.59 -0.28 1.79 -0.09 -0.54 0.00 0.00 174.62 176.08 1c14 h ARG 110 N 2.61 0.42 -0.38 3.99 2.43 -1.99 -1.58 114.38 119.89 1c14 h ARG 110 Ca -0.37 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.72 1c14 h ARG 110 Cb 1.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1c14 h ARG 110 CO 0.61 0.28 0.03 0.93 -1.51 0.00 0.00 179.97 180.31 1c14 h GLU 111 N 0.44 0.65 -0.90 0.20 4.39 -1.98 -1.69 114.58 115.69 1c14 h GLU 111 Ca 0.16 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1c14 h GLU 111 Cb 0.03 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1c14 h GLU 111 CO -0.09 0.73 0.58 0.78 -1.16 0.00 0.00 179.01 179.84 1c14 h GLY 112 N 0.48 1.27 0.98 -3.84 0.00 -1.91 0.44 103.07 100.49 1c14 h GLY 112 Ca 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1c14 h GLY 112 CO 0.01 0.48 0.20 -2.75 0.00 0.00 0.00 176.54 174.48 1c14 h PHE 113 N 1.22 0.80 0.59 5.60 3.04 -1.20 -1.22 116.94 125.77 1c14 h PHE 113 Ca 0.33 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 1c14 h PHE 113 Cb -0.11 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.16 1c14 h PHE 113 CO -0.01 0.67 -0.36 -0.22 -2.02 0.00 0.00 178.31 176.38 1c14 h LYS 114 N 0.70 -0.86 -0.37 1.11 3.11 -0.79 -1.69 116.57 117.77 1c14 h LYS 114 Ca 0.17 0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1c14 h LYS 114 Cb 0.22 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 1c14 h LYS 114 CO -0.01 -0.57 0.21 0.82 -2.81 0.00 0.00 179.45 177.08 1c14 h ILE 115 N -0.89 1.14 -0.62 2.00 2.04 -0.93 -1.41 117.51 118.84 1c14 h ILE 115 Ca -0.07 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1c14 h ILE 115 Cb 0.72 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1c14 h ILE 115 CO 0.08 0.14 0.41 0.00 0.00 0.00 0.00 178.15 178.78 1c14 h ALA 116 N 1.07 0.78 -0.19 1.87 0.00 -1.19 -0.09 119.26 121.51 1c14 h ALA 116 Ca 0.13 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1c14 h ALA 116 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c14 h ALA 116 CO -0.02 0.21 -0.66 0.45 0.00 0.00 0.00 179.25 179.23 1c14 h HIS 117 N 0.83 0.96 0.12 0.00 3.86 -1.23 -1.57 115.15 118.12 1c14 h HIS 117 Ca 0.23 -0.38 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1c14 h HIS 117 Cb -0.09 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1c14 h HIS 117 CO -0.03 1.19 -0.06 0.22 0.86 0.00 0.00 177.93 180.11 1c14 h ASP 118 N 0.53 -0.13 0.45 2.45 3.58 -1.02 0.22 116.42 122.49 1c14 h ASP 118 Ca -0.02 -0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.11 1c14 h ASP 118 Cb 1.27 0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.36 1c14 h ASP 118 CO 0.14 -0.04 -1.20 0.40 -2.88 0.00 0.00 179.24 175.65 1c14 h ILE 119 N -0.21 1.42 0.00 2.25 1.08 -1.09 -1.53 117.51 119.42 1c14 h ILE 119 Ca -0.02 -2.79 -0.29 0.00 -0.39 0.00 0.00 64.86 61.38 1c14 h ILE 119 Cb 0.17 2.80 -0.05 0.00 -3.07 0.00 0.00 36.82 36.67 1c14 h ILE 119 CO 0.03 0.82 -1.70 -1.20 -0.69 0.00 0.00 178.15 175.41 1c14 n SER 120 N -3.64 0.87 -0.05 1.72 7.64 -0.59 -4.34 113.62 115.23 1c14 n SER 120 Ca -0.10 0.42 -0.08 0.00 1.01 0.00 0.00 58.87 60.12 1c14 n SER 120 Cb 0.98 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 1c14 n SER 120 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1c14 n SER 121 N -3.04 1.61 -0.17 6.43 2.88 0.60 -4.74 113.62 117.20 1c14 n SER 121 Ca -0.17 0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.59 1c14 n SER 121 Cb 1.04 -0.59 0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1c14 n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1c14 h TYR 122 N -0.66 0.47 -0.95 0.66 3.20 -1.04 -2.72 116.97 115.94 1c14 h TYR 122 Ca -0.06 0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.10 1c14 h TYR 122 Cb 0.76 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1c14 h TYR 122 CO -0.25 0.23 0.79 0.66 -1.64 0.00 0.00 178.16 177.94 1c14 h SER 123 N 0.50 0.00 0.42 -2.11 4.64 -1.47 -0.71 113.55 114.82 1c14 h SER 123 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1c14 h SER 123 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1c14 h SER 123 CO -0.16 0.00 -0.20 0.15 -0.87 0.00 0.00 176.83 175.75 1c14 h PHE 124 N 0.00 -0.53 -0.19 4.77 3.57 -1.77 -1.22 116.94 121.57 1c14 h PHE 124 Ca 0.45 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.84 1c14 h PHE 124 Cb 2.02 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.92 1c14 h PHE 124 CO 0.00 -0.21 -0.31 -0.24 -2.23 0.00 0.00 178.31 175.31 1c14 h VAL 125 N -0.83 1.28 -0.59 1.41 3.04 -1.37 -2.44 116.25 116.74 1c14 h VAL 125 Ca -0.06 -1.35 0.06 0.00 -1.01 0.00 0.00 66.70 64.35 1c14 h VAL 125 Cb 0.55 1.48 -0.05 0.00 -2.01 0.00 0.00 31.29 31.26 1c14 h VAL 125 CO 0.10 0.42 0.30 0.00 -1.01 0.00 0.00 177.57 177.37 1c14 h ALA 126 N 1.35 0.78 -0.14 3.17 0.00 -1.07 0.34 119.26 123.69 1c14 h ALA 126 Ca 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1c14 h ALA 126 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1c14 h ALA 126 CO 0.05 -0.05 -0.37 0.52 0.00 0.00 0.00 179.25 179.40 1c14 h MET 127 N 0.56 0.29 -0.32 0.00 2.07 -0.85 -2.48 114.93 114.20 1c14 h MET 127 Ca 0.27 -0.13 -0.11 0.00 -2.07 0.00 0.00 59.70 57.66 1c14 h MET 127 Cb 0.20 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 1c14 h MET 127 CO -0.19 0.63 -0.25 0.00 1.07 0.00 0.00 176.91 178.17 1c14 h ALA 128 N 1.36 0.46 0.34 6.32 0.00 -0.60 -2.80 119.26 124.34 1c14 h ALA 128 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1c14 h ALA 128 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1c14 h ALA 128 CO 0.06 0.44 -0.30 0.87 0.00 0.00 0.00 179.25 180.33 1c14 h LYS 129 N 0.49 -0.63 -0.09 0.00 1.57 -0.24 0.27 116.57 117.95 1c14 h LYS 129 Ca 0.06 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1c14 h LYS 129 Cb 0.81 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1c14 h LYS 129 CO 0.06 -0.42 0.15 0.00 -0.57 0.00 0.00 179.45 178.68 1c14 h ALA 130 N -0.10 1.51 0.00 3.86 0.00 -1.44 -2.69 119.26 120.40 1c14 h ALA 130 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1c14 h ALA 130 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1c14 h ALA 130 CO -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1c14 n ARG 132 N -0.02 -0.07 0.07 0.00 0.63 0.94 -0.18 116.66 118.04 1c14 n ARG 132 Ca 0.00 1.36 0.13 0.00 -0.92 0.00 0.00 57.85 58.42 1c14 n ARG 132 Cb 0.04 -2.31 0.48 0.00 0.45 0.00 0.00 32.46 31.12 1c14 n ARG 132 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1c14 n SER 133 N -5.26 0.53 -0.38 6.15 3.41 -1.26 -3.01 113.62 113.80 1c14 n SER 133 Ca 0.30 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.59 1c14 n SER 133 Cb 1.00 -0.69 0.26 0.00 -0.26 0.00 0.00 64.21 64.51 1c14 n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1c14 n MET 134 N -2.00 1.10 -2.85 4.33 2.81 0.75 -4.93 117.12 116.33 1c14 n MET 134 Ca 0.06 -0.76 -0.41 0.00 -1.81 0.00 0.00 57.70 54.78 1c14 n MET 134 Cb 0.39 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 1c14 n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1c14 s LEU 135 N -2.43 4.45 0.65 4.03 1.43 -1.16 -0.31 118.68 125.34 1c14 s LEU 135 Ca 0.24 1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 54.84 1c14 s LEU 135 Cb 0.19 -3.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.00 1c14 s LEU 135 CO 0.51 -0.06 1.02 0.20 0.23 0.00 0.00 176.35 178.26 1c14 s ASN 136 N 0.14 5.73 0.53 2.29 0.01 0.40 -4.90 114.94 119.13 1c14 s ASN 136 Ca 0.43 1.11 -0.19 0.00 -0.71 0.00 0.00 52.86 53.50 1c14 s ASN 136 Cb -0.22 -2.04 -0.06 0.00 0.41 0.00 0.00 41.25 39.34 1c14 s ASN 136 CO 0.26 -1.12 1.10 -2.84 -1.51 0.00 0.00 177.10 173.00 1c14 s PRO 137 N -5.20 3.47 0.00 -0.60 0.02 -1.26 -2.37 135.00 129.05 1c14 s PRO 137 Ca 0.56 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1c14 s PRO 137 Cb -0.11 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1c14 s PRO 137 CO 0.51 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 1c14 n GLY 138 N 0.01 0.74 3.79 0.52 0.00 0.14 -5.03 105.19 105.36 1c14 n GLY 138 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1c14 n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c14 s SER 139 N -2.37 4.80 -0.14 1.61 0.01 -0.99 -4.85 113.70 111.76 1c14 s SER 139 Ca 0.00 1.61 -0.14 0.00 1.31 0.00 0.00 55.95 58.73 1c14 s SER 139 Cb 0.00 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.88 1c14 s SER 139 CO 0.00 -1.81 0.39 0.00 0.41 0.00 0.00 173.24 172.23 1c14 s ALA 140 N -3.02 -0.97 0.06 1.44 0.00 -0.78 -1.92 121.76 116.57 1c14 s ALA 140 Ca 0.60 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.73 1c14 s ALA 140 Cb -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1c14 s ALA 140 CO 0.55 -0.19 -0.19 -0.51 0.00 0.00 0.00 175.76 175.43 1c14 s LEU 141 N 0.16 2.59 -0.00 0.00 1.43 0.16 -3.20 118.68 119.81 1c14 s LEU 141 Ca -0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1c14 s LEU 141 Cb -0.03 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1c14 s LEU 141 CO 0.01 0.24 -0.02 -0.22 0.23 0.00 0.00 176.35 176.58 1c14 s LEU 142 N -1.58 1.92 0.19 1.79 2.96 -0.70 -1.63 118.68 121.64 1c14 s LEU 142 Ca 0.15 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1c14 s LEU 142 Cb -0.10 -0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.39 1c14 s LEU 142 CO 0.06 0.02 -0.09 0.28 -1.32 0.00 0.00 176.35 175.30 1c14 s THR 143 N 0.04 1.35 -0.19 3.68 -1.32 -0.76 -0.00 115.64 118.44 1c14 s THR 143 Ca -0.00 -2.11 -0.04 0.00 -1.21 0.00 0.00 61.69 58.34 1c14 s THR 143 Cb -0.02 -2.07 -0.02 0.00 -1.51 0.00 0.00 72.50 68.88 1c14 s THR 143 CO -0.00 -0.57 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.04 1c14 s LEU 144 N -3.27 3.04 0.54 9.08 1.02 -1.11 -1.81 118.68 126.17 1c14 s LEU 144 Ca 0.22 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.11 1c14 s LEU 144 Cb 0.02 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.50 1c14 s LEU 144 CO 0.05 0.05 0.20 -0.55 0.02 0.00 0.00 176.35 176.13 1c14 s SER 145 N 1.04 4.38 0.02 2.29 0.15 0.12 -4.93 113.70 116.78 1c14 s SER 145 Ca 0.01 -1.51 -0.00 0.00 0.70 0.00 0.00 55.95 55.15 1c14 s SER 145 Cb -0.15 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1c14 s SER 145 CO 0.00 -1.04 -0.03 -0.47 1.20 0.00 0.00 173.24 172.90 1c14 s TYR 146 N -2.86 0.28 0.66 3.44 5.04 -1.26 -2.50 117.35 120.16 1c14 s TYR 146 Ca 0.16 -0.57 0.32 0.00 -2.44 0.00 0.00 57.07 54.54 1c14 s TYR 146 Cb -0.01 -0.21 1.72 0.00 0.35 0.00 0.00 41.96 43.81 1c14 s TYR 146 CO 0.10 -0.20 1.98 1.25 -1.34 0.00 0.00 175.55 177.34 1c14 h LEU 147 N 4.54 0.00 -1.45 6.97 5.85 -1.92 -0.90 115.31 128.41 1c14 h LEU 147 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1c14 h LEU 147 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1c14 h LEU 147 CO 0.43 0.00 0.10 1.23 -0.34 0.00 0.00 178.44 179.86 1c14 h GLY 148 N 0.00 0.00 1.75 3.75 0.00 -1.92 0.18 103.07 106.83 1c14 h GLY 148 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1c14 h GLY 148 CO -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 176.54 175.88 1c14 h ALA 149 N 1.74 0.77 0.00 3.60 0.00 -1.25 -3.35 119.26 120.77 1c14 h ALA 149 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 1c14 h ALA 149 Cb 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1c14 h ALA 149 CO 0.00 0.76 -2.07 0.39 0.00 0.00 0.00 179.25 178.33 1c14 n GLU 150 N -3.84 0.67 -4.12 0.00 1.02 0.47 -4.50 120.64 110.35 1c14 n GLU 150 Ca -0.03 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 1c14 n GLU 150 Cb 0.66 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 30.38 1c14 n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1c14 s ARG 151 N -2.84 0.69 -0.65 3.49 1.81 -0.35 -5.09 118.95 116.00 1c14 s ARG 151 Ca -0.08 -1.02 -0.26 0.00 -1.72 0.00 0.00 55.73 52.65 1c14 s ARG 151 Cb 0.09 -0.32 0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1c14 s ARG 151 CO 0.85 0.04 1.17 0.00 -0.68 0.00 0.00 175.30 176.67 1c14 s ALA 152 N -2.29 2.93 -0.22 2.13 0.00 -1.26 -4.31 121.76 118.75 1c14 s ALA 152 Ca -0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 1c14 s ALA 152 Cb -0.04 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 1c14 s ALA 152 CO -0.01 -2.89 0.11 0.42 0.00 0.00 0.00 175.76 173.38 1c14 s ILE 153 N 5.03 4.97 0.31 0.00 1.01 -1.26 -5.07 121.20 126.19 1c14 s ILE 153 Ca 0.35 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 1c14 s ILE 153 Cb -0.09 -3.29 -0.14 0.00 0.01 0.00 0.00 42.46 38.95 1c14 s ILE 153 CO 0.18 0.39 0.84 -2.65 0.00 0.00 0.00 174.94 173.70 1c14 n PRO 154 N 4.13 0.99 0.00 2.79 -0.02 -1.26 -2.33 135.00 139.30 1c14 n PRO 154 Ca -0.16 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1c14 n PRO 154 Cb 0.52 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1c14 n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1c14 n ASN 155 N 1.28 0.00 0.22 2.55 3.02 -1.26 -4.66 115.26 116.40 1c14 n ASN 155 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.72 1c14 n ASN 155 Cb 0.33 -0.36 0.49 0.00 -0.61 0.00 0.00 39.78 39.64 1c14 n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1c14 h TYR 156 N 0.00 0.00 0.00 3.10 3.20 -1.73 -3.33 116.97 118.21 1c14 h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1c14 h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1c14 h TYR 156 CO 0.00 0.26 0.00 0.09 -1.64 0.00 0.00 178.16 176.87 1c14 n ASN 157 N -3.97 0.00 0.30 -2.11 3.02 -1.25 -1.18 115.26 110.07 1c14 n ASN 157 Ca -0.02 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.70 1c14 n ASN 157 Cb 0.33 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.40 1c14 n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1c14 h VAL 158 N 0.00 0.00 0.00 2.41 3.04 -1.89 0.41 116.25 120.22 1c14 h VAL 158 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1c14 h VAL 158 Cb 0.00 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 1c14 h VAL 158 CO 0.00 0.00 -0.22 0.24 -1.01 0.00 0.00 177.57 176.58 1c14 h MET 159 N 0.00 0.00 -0.14 4.17 2.86 -1.50 -1.95 114.93 118.36 1c14 h MET 159 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1c14 h MET 159 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1c14 h MET 159 CO 0.00 0.22 -0.50 0.78 1.06 0.00 0.00 176.91 178.47 1c14 h GLY 160 N 1.37 0.42 0.88 8.32 0.00 -0.95 -1.83 103.07 111.28 1c14 h GLY 160 Ca -0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.73 1c14 h GLY 160 CO 0.03 0.41 -0.50 1.41 0.00 0.00 0.00 176.54 177.89 1c14 h LEU 161 N 0.30 0.62 -1.39 3.11 4.07 -1.49 -2.30 115.31 118.23 1c14 h LEU 161 Ca 0.01 -0.64 0.02 0.00 0.08 0.00 0.00 57.88 57.36 1c14 h LEU 161 Cb 0.99 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.51 1c14 h LEU 161 CO 0.09 1.16 0.43 0.00 -1.08 0.00 0.00 178.44 179.03 1c14 h ALA 162 N 0.48 1.60 -0.08 1.53 0.00 -1.34 0.16 119.26 121.62 1c14 h ALA 162 Ca -0.03 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1c14 h ALA 162 Cb 1.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1c14 h ALA 162 CO 0.10 0.35 -0.64 0.87 0.00 0.00 0.00 179.25 179.94 1c14 h LYS 163 N 0.82 0.29 -0.41 0.00 1.79 -1.30 -0.24 116.57 117.51 1c14 h LYS 163 Ca 0.25 -0.21 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 1c14 h LYS 163 Cb -0.01 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1c14 h LYS 163 CO -0.06 0.83 -0.16 0.00 -1.08 0.00 0.00 179.45 178.98 1c14 h ALA 164 N 1.12 0.57 -0.01 3.86 0.00 -0.71 -1.41 119.26 122.67 1c14 h ALA 164 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1c14 h ALA 164 Cb 1.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1c14 h ALA 164 CO 0.10 0.50 0.01 1.03 0.00 0.00 0.00 179.25 180.88 1c14 h SER 165 N 0.64 0.01 -0.34 0.00 0.87 -0.81 -2.62 113.55 111.30 1c14 h SER 165 Ca 0.10 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1c14 h SER 165 Cb 0.71 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 1c14 h SER 165 CO 0.05 0.01 -0.03 0.25 -0.53 0.00 0.00 176.83 176.57 1c14 h LEU 166 N 0.01 -0.21 -1.72 2.23 5.85 -0.94 0.24 115.31 120.77 1c14 h LEU 166 Ca 0.01 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1c14 h LEU 166 Cb 0.00 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1c14 h LEU 166 CO -0.00 -0.07 0.13 -0.33 -0.34 0.00 0.00 178.44 177.83 1c14 h GLU 167 N 0.05 0.32 -0.03 1.25 5.08 -1.04 0.47 114.58 120.68 1c14 h GLU 167 Ca 0.16 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1c14 h GLU 167 Cb 0.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1c14 h GLU 167 CO -0.30 0.23 -0.60 0.00 -1.00 0.00 0.00 179.01 177.34 1c14 h ALA 168 N 1.82 0.93 -0.12 3.43 0.00 -0.97 -2.88 119.26 121.47 1c14 h ALA 168 Ca 0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1c14 h ALA 168 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1c14 h ALA 168 CO -0.02 0.74 0.04 -0.97 0.00 0.00 0.00 179.25 179.04 1c14 h ASN 169 N 0.08 0.17 -0.80 0.00 -0.00 0.19 -1.53 115.58 113.69 1c14 h ASN 169 Ca -0.01 -0.20 0.16 0.00 -0.00 0.00 0.00 56.30 56.26 1c14 h ASN 169 Cb 1.08 -0.05 -0.10 0.00 -0.00 0.00 0.00 38.32 39.25 1c14 h ASN 169 CO 0.09 0.33 0.33 0.58 -0.00 0.00 0.00 177.43 178.75 1c14 h VAL 170 N 0.01 0.61 -0.33 2.57 2.07 -0.86 0.39 116.25 120.71 1c14 h VAL 170 Ca 0.04 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1c14 h VAL 170 Cb 0.21 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1c14 h VAL 170 CO -0.00 0.08 -0.01 0.03 0.02 0.00 0.00 177.57 177.69 1c14 h ARG 171 N 0.44 0.58 -0.47 1.57 3.08 -1.32 0.08 114.38 118.34 1c14 h ARG 171 Ca 0.46 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 60.19 1c14 h ARG 171 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1c14 h ARG 171 CO -0.44 0.71 -0.20 1.88 -1.07 0.00 0.00 179.97 180.85 1c14 h TYR 172 N 0.38 1.08 0.26 3.04 0.05 -0.18 -1.20 116.97 120.40 1c14 h TYR 172 Ca 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1c14 h TYR 172 Cb 0.46 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1c14 h TYR 172 CO 0.04 1.05 -0.13 0.52 -1.05 0.00 0.00 178.16 178.59 1c14 h MET 173 N 0.82 -0.34 -0.83 4.88 2.86 -0.30 -2.13 114.93 119.89 1c14 h MET 173 Ca 0.11 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.95 1c14 h MET 173 Cb 0.77 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.44 1c14 h MET 173 CO 0.06 -0.01 0.55 0.00 1.06 0.00 0.00 176.91 178.57 1c14 h ALA 174 N -0.12 2.13 0.01 6.32 0.00 -0.92 0.26 119.26 126.93 1c14 h ALA 174 Ca -0.04 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1c14 h ALA 174 Cb 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1c14 h ALA 174 CO 0.06 -0.37 -0.91 -0.97 0.00 0.00 0.00 179.25 177.06 1c14 h ASN 175 N 0.44 0.10 0.05 0.00 -0.00 -1.12 -2.43 115.58 112.62 1c14 h ASN 175 Ca 0.42 -0.09 -0.08 0.00 -0.00 0.00 0.00 56.30 56.55 1c14 h ASN 175 Cb 0.98 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.27 1c14 h ASN 175 CO -0.15 0.95 -0.39 0.00 -0.00 0.00 0.00 177.43 177.84 1c14 h ALA 176 N 1.04 -0.00 0.00 1.57 0.00 -0.43 -3.38 119.26 118.04 1c14 h ALA 176 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1c14 h ALA 176 Cb 1.58 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1c14 h ALA 176 CO 0.13 0.20 -0.54 0.52 0.00 0.00 0.00 179.25 179.55 1c14 h MET 177 N -0.78 0.00 -0.40 0.00 2.86 -0.69 -3.39 114.93 112.53 1c14 h MET 177 Ca -0.08 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1c14 h MET 177 Cb 1.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.85 1c14 h MET 177 CO 0.04 0.00 0.05 0.78 1.06 0.00 0.00 176.91 178.83 1c14 h GLY 178 N 4.38 0.44 1.44 8.32 0.00 -1.04 -2.35 103.07 114.26 1c14 h GLY 178 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1c14 h GLY 178 CO 0.00 -0.07 0.28 -2.55 0.00 0.00 0.00 176.54 174.20 1c14 h PRO 179 N 0.16 0.00 -0.53 4.80 0.11 -1.81 -0.20 132.00 134.53 1c14 h PRO 179 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1c14 h PRO 179 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1c14 h PRO 179 CO -0.29 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.65 1c14 n GLU 180 N -2.88 3.45 -1.41 1.05 0.28 -0.92 -4.94 120.64 115.28 1c14 n GLU 180 Ca -0.02 -2.73 0.00 0.00 -0.16 0.00 0.00 57.16 54.25 1c14 n GLU 180 Cb 0.33 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1c14 n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1c14 n GLY 181 N 0.76 0.91 3.01 -1.84 0.00 -0.09 -4.65 105.19 103.30 1c14 n GLY 181 Ca 0.23 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1c14 n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c14 s VAL 182 N -2.12 1.29 0.05 1.61 1.01 -1.02 0.27 120.40 121.48 1c14 s VAL 182 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1c14 s VAL 182 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1c14 s VAL 182 CO 0.00 0.40 0.13 -0.13 0.00 0.00 0.00 175.10 175.50 1c14 s ARG 183 N 1.07 3.13 -0.05 2.72 0.52 -0.81 -2.36 118.95 123.17 1c14 s ARG 183 Ca -0.06 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1c14 s ARG 183 Cb -0.15 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.47 1c14 s ARG 183 CO -0.02 0.61 -0.03 0.08 0.02 0.00 0.00 175.30 175.96 1c14 s VAL 184 N -1.38 0.47 0.22 3.52 1.01 -1.26 -0.67 120.40 122.32 1c14 s VAL 184 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1c14 s VAL 184 Cb -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1c14 s VAL 184 CO 0.22 0.22 0.23 0.20 0.00 0.00 0.00 175.10 175.97 1c14 s ASN 185 N 1.15 0.19 0.01 3.32 0.01 -0.65 0.11 114.94 119.08 1c14 s ASN 185 Ca -0.07 -1.30 0.01 0.00 -0.71 0.00 0.00 52.86 50.78 1c14 s ASN 185 Cb -0.14 0.44 -0.01 0.00 0.41 0.00 0.00 41.25 41.96 1c14 s ASN 185 CO -0.01 -0.93 -0.05 0.00 -1.51 0.00 0.00 177.10 174.60 1c14 s ALA 186 N -4.06 0.36 -0.26 0.60 0.00 0.24 -1.83 121.76 116.81 1c14 s ALA 186 Ca 0.35 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1c14 s ALA 186 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1c14 s ALA 186 CO 0.12 0.05 0.11 0.42 0.00 0.00 0.00 175.76 176.46 1c14 s ILE 187 N -0.38 4.67 -0.72 0.00 1.01 -0.75 0.07 121.20 125.10 1c14 s ILE 187 Ca -0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1c14 s ILE 187 Cb -0.03 -3.20 0.13 0.00 0.01 0.00 0.00 42.46 39.36 1c14 s ILE 187 CO -0.00 0.31 0.85 -0.55 0.00 0.00 0.00 174.94 175.55 1c14 s SER 188 N 1.62 6.39 0.22 3.58 0.15 0.25 -0.70 113.70 125.21 1c14 s SER 188 Ca 0.06 -1.75 -0.27 0.00 0.70 0.00 0.00 55.95 54.70 1c14 s SER 188 Cb -0.15 -2.32 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 1c14 s SER 188 CO 0.06 -1.05 0.86 0.00 1.20 0.00 0.00 173.24 174.31 1c14 s ALA 189 N 2.42 3.37 1.02 5.45 0.00 -1.04 0.11 121.76 133.09 1c14 s ALA 189 Ca 0.19 0.47 -0.14 0.00 0.00 0.00 0.00 51.96 52.48 1c14 s ALA 189 Cb -0.16 -3.07 0.20 0.00 0.00 0.00 0.00 23.12 20.08 1c14 s ALA 189 CO 0.00 0.25 1.11 0.20 0.00 0.00 0.00 175.76 177.32 1c14 s GLY 190 N -1.26 1.57 0.27 0.00 0.00 -0.52 -4.61 107.32 102.77 1c14 s GLY 190 Ca 0.40 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 1c14 s GLY 190 CO 0.28 0.13 1.40 2.56 0.00 0.00 0.00 173.10 177.47 1c14 s PRO 191 N -5.12 4.29 -0.03 2.90 0.04 -1.26 -4.88 135.00 130.94 1c14 s PRO 191 Ca 0.66 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1c14 s PRO 191 Cb -0.16 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1c14 s PRO 191 CO 0.56 -0.36 0.00 0.42 0.04 0.00 0.00 177.00 177.67 1c14 s ILE 192 N -0.33 0.14 -0.32 0.56 1.01 -1.26 -4.44 121.20 116.56 1c14 s ILE 192 Ca 0.56 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 1c14 s ILE 192 Cb -0.41 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1c14 s ILE 192 CO 0.46 0.13 1.82 -0.60 0.00 0.00 0.00 174.94 176.75 1c14 s ARG 193 N 0.91 3.34 0.22 2.79 6.06 -1.26 -4.75 118.95 126.27 1c14 s ARG 193 Ca -0.09 1.49 -0.00 0.00 -2.50 0.00 0.00 55.73 54.63 1c14 s ARG 193 Cb -0.12 -4.20 -0.04 0.00 0.06 0.00 0.00 34.95 30.64 1c14 s ARG 193 CO -0.02 -1.85 0.12 0.95 -2.50 0.00 0.00 175.30 172.00 1c14 s THR 194 N 6.91 0.19 0.19 4.11 -4.23 -1.26 -4.89 115.64 116.65 1c14 s THR 194 Ca 0.81 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.18 1c14 s THR 194 Cb -0.23 -2.55 0.13 0.00 1.34 0.00 0.00 72.50 71.19 1c14 s THR 194 CO 0.34 -0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 176.03 1c14 h LEU 195 N 2.54 -0.22 -0.96 4.79 3.38 -1.92 -1.77 115.31 121.15 1c14 h LEU 195 Ca -0.37 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1c14 h LEU 195 Cb 1.25 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1c14 h LEU 195 CO 0.56 -0.07 0.18 0.00 0.09 0.00 0.00 178.44 179.19 1c14 h ALA 196 N 1.44 1.16 -0.94 1.53 0.00 -1.97 -2.88 119.26 117.61 1c14 h ALA 196 Ca 0.25 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.12 1c14 h ALA 196 Cb 0.38 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1c14 h ALA 196 CO -0.42 0.58 0.60 0.00 0.00 0.00 0.00 179.25 180.01 1c14 h ALA 197 N 1.29 1.79 0.00 0.00 0.00 -1.62 0.61 119.26 121.33 1c14 h ALA 197 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1c14 h ALA 197 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1c14 h ALA 197 CO -0.01 -0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.60 1c14 n SER 198 N -4.61 0.00 -0.34 0.00 7.64 -1.09 -0.77 113.62 114.45 1c14 n SER 198 Ca 0.19 -0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.03 1c14 n SER 198 Cb 0.51 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.87 1c14 n SER 198 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c14 n GLY 199 N -0.66 -0.35 3.45 0.23 0.00 0.20 -4.86 105.19 103.21 1c14 n GLY 199 Ca 0.03 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1c14 n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c14 s ILE 200 N -2.54 4.05 0.48 -0.61 1.01 0.05 -4.85 121.20 118.79 1c14 s ILE 200 Ca 0.20 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 1c14 s ILE 200 Cb 0.18 -2.84 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 1c14 s ILE 200 CO 0.57 0.41 0.95 1.17 0.00 0.00 0.00 174.94 178.04 1c14 n LYS 201 N 4.37 1.16 -3.57 2.79 4.81 -1.26 -2.85 118.16 123.61 1c14 n LYS 201 Ca -0.17 0.42 -0.26 0.00 -0.87 0.00 0.00 58.31 57.43 1c14 n LYS 201 Cb 0.52 -2.04 -0.01 0.00 0.02 0.00 0.00 35.03 33.52 1c14 n LYS 201 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1c14 n ASP 202 N 0.20 -3.55 0.02 3.14 8.00 -1.26 -4.84 116.55 118.26 1c14 n ASP 202 Ca 0.11 -0.53 0.01 0.00 0.71 0.00 0.00 54.79 55.09 1c14 n ASP 202 Cb 0.42 -2.94 0.34 0.00 -0.02 0.00 0.00 41.12 38.93 1c14 n ASP 202 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1c14 h PHE 203 N -1.09 0.49 -0.78 1.24 3.57 -1.86 -0.34 116.94 118.17 1c14 h PHE 203 Ca -0.46 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 1c14 h PHE 203 Cb 1.30 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1c14 h PHE 203 CO 0.67 0.46 0.39 0.07 -2.23 0.00 0.00 178.31 177.67 1c14 h ARG 204 N 0.47 1.11 0.00 1.11 -0.00 -1.88 0.17 114.38 115.36 1c14 h ARG 204 Ca 0.11 -0.15 -0.15 0.00 -0.00 0.00 0.00 59.98 59.79 1c14 h ARG 204 Cb 0.24 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.97 29.98 1c14 h ARG 204 CO 0.00 0.85 -0.70 0.87 -0.00 0.00 0.00 179.97 180.99 1c14 h LYS 205 N 1.09 0.00 -0.48 0.08 1.57 -1.79 -2.51 116.57 114.53 1c14 h LYS 205 Ca 0.27 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1c14 h LYS 205 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1c14 h LYS 205 CO -0.04 0.70 -0.04 1.98 -0.57 0.00 0.00 179.45 181.48 1c14 h MET 206 N 0.00 0.88 -0.12 3.15 4.05 -0.34 -1.53 114.93 121.02 1c14 h MET 206 Ca -0.01 -0.30 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 1c14 h MET 206 Cb 1.38 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1c14 h MET 206 CO 0.09 0.94 0.02 -0.07 0.23 0.00 0.00 176.91 178.12 1c14 h LEU 207 N 0.73 0.19 -1.15 3.39 3.38 -0.59 -2.27 115.31 118.97 1c14 h LEU 207 Ca 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1c14 h LEU 207 Cb 0.57 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1c14 h LEU 207 CO 0.03 0.39 0.13 0.00 0.09 0.00 0.00 178.44 179.08 1c14 h ALA 208 N 0.80 1.32 0.55 1.53 0.00 -1.41 -0.42 119.26 121.63 1c14 h ALA 208 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1c14 h ALA 208 Cb 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1c14 h ALA 208 CO 0.00 0.48 -0.26 1.25 0.00 0.00 0.00 179.25 180.72 1c14 h HIS 209 N 0.71 -0.68 -0.61 0.00 -0.00 -1.20 -2.70 115.15 110.66 1c14 h HIS 209 Ca 0.16 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.60 1c14 h HIS 209 Cb 0.24 0.23 -0.07 0.00 -0.00 0.00 0.00 27.41 27.81 1c14 h HIS 209 CO 0.01 -0.37 0.26 0.00 -0.00 0.00 0.00 177.93 177.84 1c14 h GLU 211 N 0.47 0.08 0.05 0.00 4.81 -1.01 0.18 114.58 119.16 1c14 h GLU 211 Ca 0.30 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.35 1c14 h GLU 211 Cb 0.32 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1c14 h GLU 211 CO -0.27 0.05 -0.90 0.00 -0.73 0.00 0.00 179.01 177.17 1c14 h ALA 212 N 1.76 0.13 -0.01 2.92 0.00 -0.80 -3.28 119.26 119.98 1c14 h ALA 212 Ca 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1c14 h ALA 212 Cb 0.81 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1c14 h ALA 212 CO -0.02 0.51 -0.09 1.33 0.00 0.00 0.00 179.25 180.98 1c14 n VAL 213 N -4.29 0.00 -2.87 0.00 0.24 -0.25 -4.87 118.33 106.29 1c14 n VAL 213 Ca -0.22 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.57 1c14 n VAL 213 Cb 0.71 0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 1c14 n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1c14 s THR 214 N -2.30 4.93 0.26 3.34 2.01 0.58 -4.80 115.64 119.67 1c14 s THR 214 Ca 0.33 1.75 -0.03 0.00 0.31 0.00 0.00 61.69 64.05 1c14 s THR 214 Cb 0.20 -4.18 0.30 0.00 0.01 0.00 0.00 72.50 68.83 1c14 s THR 214 CO 0.43 0.16 1.63 -0.65 -0.69 0.00 0.00 174.62 175.51 1c14 h PRO 215 N 6.90 0.13 0.00 4.92 0.11 -1.82 1.27 132.00 143.50 1c14 h PRO 215 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1c14 h PRO 215 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1c14 h PRO 215 CO 0.77 0.09 0.00 0.44 -0.21 0.00 0.00 178.00 179.09 1c14 n ILE 216 N -5.31 0.47 -1.85 4.15 -5.35 -1.17 -4.87 119.36 105.42 1c14 n ILE 216 Ca 0.17 0.12 -0.16 0.00 -0.27 0.00 0.00 62.75 62.61 1c14 n ILE 216 Cb 0.56 -0.79 -0.04 0.00 -1.74 0.00 0.00 39.64 37.63 1c14 n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1c14 n ARG 217 N -1.34 -1.18 -3.60 6.28 5.12 0.44 -4.97 116.66 117.41 1c14 n ARG 217 Ca 0.08 0.92 -0.13 0.00 -1.93 0.00 0.00 57.85 56.80 1c14 n ARG 217 Cb 0.17 -5.19 -0.05 0.00 -1.16 0.00 0.00 32.46 26.23 1c14 n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1c14 s ARG 218 N -4.02 1.04 0.51 5.56 1.70 -1.23 -4.74 118.95 117.77 1c14 s ARG 218 Ca 0.00 -0.41 -0.17 0.00 -0.47 0.00 0.00 55.73 54.68 1c14 s ARG 218 Cb 0.00 0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 34.77 1c14 s ARG 218 CO 0.00 -0.39 0.98 0.95 -1.08 0.00 0.00 175.30 175.77 1c14 s THR 219 N -2.92 4.49 0.71 4.99 -4.23 -1.26 -4.76 115.64 112.65 1c14 s THR 219 Ca -0.03 1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.61 1c14 s THR 219 Cb -0.00 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.16 1c14 s THR 219 CO -0.06 -0.64 1.07 0.68 -0.54 0.00 0.00 174.62 175.13 1c14 s VAL 220 N -2.57 3.91 0.37 2.29 -7.23 -1.26 -5.05 120.40 110.86 1c14 s VAL 220 Ca 0.59 0.62 0.08 0.00 -1.81 0.00 0.00 61.98 61.46 1c14 s VAL 220 Cb -0.10 -3.41 -0.06 0.00 0.56 0.00 0.00 36.38 33.37 1c14 s VAL 220 CO 0.29 -0.81 0.08 0.42 -0.31 0.00 0.00 175.10 174.78 1c14 s THR 221 N -3.10 2.48 0.10 5.32 -4.23 -1.26 -4.78 115.64 110.17 1c14 s THR 221 Ca 0.58 -1.85 0.34 0.00 -1.18 0.00 0.00 61.69 59.57 1c14 s THR 221 Cb -0.13 -2.91 0.38 0.00 1.34 0.00 0.00 72.50 71.18 1c14 s THR 221 CO 0.55 -0.11 1.99 0.16 -0.54 0.00 0.00 174.62 176.67 1c14 h ILE 222 N 1.65 0.00 -0.22 2.99 3.07 -1.94 -1.42 117.51 121.64 1c14 h ILE 222 Ca -0.43 -0.43 -0.16 0.00 1.55 0.00 0.00 64.86 65.39 1c14 h ILE 222 Cb 1.25 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 1c14 h ILE 222 CO 0.69 0.00 -0.50 -0.33 -1.05 0.00 0.00 178.15 176.96 1c14 h GLU 223 N 0.00 0.72 -0.02 0.16 3.07 -1.95 0.37 114.58 116.94 1c14 h GLU 223 Ca 0.00 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1c14 h GLU 223 Cb 0.44 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1c14 h GLU 223 CO 0.00 1.11 0.01 -0.44 -1.40 0.00 0.00 179.01 178.29 1c14 h ASP 224 N 0.44 0.03 -0.27 1.42 3.32 -1.73 -1.15 116.42 118.48 1c14 h ASP 224 Ca -0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1c14 h ASP 224 Cb 1.11 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1c14 h ASP 224 CO 0.11 0.12 0.04 0.58 -1.72 0.00 0.00 179.24 178.37 1c14 h VAL 225 N -0.07 1.23 -0.65 -1.35 2.07 -1.29 -2.80 116.25 113.39 1c14 h VAL 225 Ca 0.01 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1c14 h VAL 225 Cb 0.10 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1c14 h VAL 225 CO -0.00 0.26 0.43 1.23 0.02 0.00 0.00 177.57 179.51 1c14 h GLY 226 N 0.25 0.88 1.34 2.17 0.00 -0.17 0.12 103.07 107.67 1c14 h GLY 226 Ca 0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1c14 h GLY 226 CO 0.01 0.27 -0.29 3.43 0.00 0.00 0.00 176.54 179.95 1c14 h ASN 227 N 0.78 0.77 -0.13 0.19 2.35 -1.07 0.49 115.58 118.96 1c14 h ASN 227 Ca 0.26 -0.30 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 1c14 h ASN 227 Cb 0.07 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1c14 h ASN 227 CO -0.07 1.01 -0.51 0.28 -1.65 0.00 0.00 177.43 176.48 1c14 h SER 228 N 0.63 0.78 -0.07 5.81 0.02 -1.07 -2.61 113.55 117.05 1c14 h SER 228 Ca 0.08 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1c14 h SER 228 Cb 0.81 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1c14 h SER 228 CO 0.07 1.15 0.04 0.00 -1.14 0.00 0.00 176.83 176.95 1c14 h ALA 229 N 0.87 0.09 -0.66 3.77 0.00 -0.53 0.40 119.26 123.20 1c14 h ALA 229 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1c14 h ALA 229 Cb 1.08 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1c14 h ALA 229 CO 0.11 -0.37 0.35 0.00 0.00 0.00 0.00 179.25 179.33 1c14 h ALA 230 N 0.95 0.89 -0.30 0.00 0.00 -0.89 -1.22 119.26 118.70 1c14 h ALA 230 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1c14 h ALA 230 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1c14 h ALA 230 CO -0.00 -0.01 0.13 0.35 0.00 0.00 0.00 179.25 179.72 1c14 h PHE 231 N 0.63 0.44 0.00 0.00 3.57 -1.06 -2.27 116.94 118.26 1c14 h PHE 231 Ca 0.31 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1c14 h PHE 231 Cb 0.24 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1c14 h PHE 231 CO -0.09 0.42 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.31 1c14 h LEU 232 N 0.33 0.00 -2.61 0.59 3.38 -0.41 -2.32 115.31 114.28 1c14 h LEU 232 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1c14 h LEU 232 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1c14 h LEU 232 CO -0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1c14 s SER 234 N -1.16 4.74 0.12 0.00 1.04 -0.87 -4.77 113.70 112.80 1c14 s SER 234 Ca 0.45 -0.61 0.13 0.00 0.48 0.00 0.00 55.95 56.40 1c14 s SER 234 Cb 0.24 -0.91 0.60 0.00 0.10 0.00 0.00 66.02 66.06 1c14 s SER 234 CO 0.32 -0.08 1.40 0.47 0.98 0.00 0.00 173.24 176.33 1c14 n ASP 235 N -1.01 0.25 -0.08 7.02 8.00 -1.26 -1.66 116.55 127.82 1c14 n ASP 235 Ca -0.06 0.59 0.06 0.00 0.71 0.00 0.00 54.79 56.09 1c14 n ASP 235 Cb 0.59 -0.64 0.41 0.00 -0.02 0.00 0.00 41.12 41.47 1c14 n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1c14 h LEU 236 N 0.00 0.53 -3.45 0.64 3.38 -1.88 -1.94 115.31 112.58 1c14 h LEU 236 Ca 0.00 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 1c14 h LEU 236 Cb 0.12 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 40.55 1c14 h LEU 236 CO 0.00 0.36 0.43 -1.54 0.09 0.00 0.00 178.44 177.79 1c14 n SER 237 N -4.47 3.73 -0.26 -0.43 3.41 -0.66 -4.66 113.62 110.28 1c14 n SER 237 Ca 0.07 -3.16 0.24 0.00 -0.26 0.00 0.00 58.87 55.75 1c14 n SER 237 Cb 0.16 -0.74 0.58 0.00 -0.26 0.00 0.00 64.21 63.94 1c14 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c14 h ALA 238 N 1.57 2.43 -0.28 7.33 0.00 -1.52 -0.21 119.26 128.59 1c14 h ALA 238 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1c14 h ALA 238 Cb 2.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1c14 h ALA 238 CO 0.78 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1c14 n GLY 239 N -1.57 0.38 3.16 0.00 0.00 -1.26 -4.79 105.19 101.10 1c14 n GLY 239 Ca 0.21 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1c14 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c14 s ILE 240 N -1.62 2.14 -0.20 -0.61 1.01 -0.09 -5.10 121.20 116.72 1c14 s ILE 240 Ca 0.19 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1c14 s ILE 240 Cb 0.10 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.75 1c14 s ILE 240 CO 0.13 0.54 0.52 -0.55 0.00 0.00 0.00 174.94 175.58 1c14 s SER 241 N 1.07 -0.59 0.00 3.58 0.15 -1.26 -4.75 113.70 111.89 1c14 s SER 241 Ca -0.01 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1c14 s SER 241 Cb -0.14 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1c14 s SER 241 CO -0.07 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1c14 n GLY 242 N 3.33 0.51 3.85 9.45 0.00 0.31 -4.93 105.19 117.70 1c14 n GLY 242 Ca -0.17 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1c14 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c14 s GLU 243 N -0.51 3.80 -0.58 1.61 2.56 -1.26 -4.55 118.70 119.77 1c14 s GLU 243 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 54.97 55.15 1c14 s GLU 243 Cb 0.00 -3.13 0.15 0.00 2.00 0.00 0.00 34.13 33.15 1c14 s GLU 243 CO 0.00 0.65 0.44 0.08 -0.56 0.00 0.00 175.26 175.87 1c14 s VAL 244 N -1.20 4.19 -0.05 3.70 1.01 -1.26 -0.59 120.40 126.21 1c14 s VAL 244 Ca 0.26 -2.36 -0.29 0.00 0.00 0.00 0.00 61.98 59.59 1c14 s VAL 244 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1c14 s VAL 244 CO 0.14 -0.85 0.98 -0.69 0.00 0.00 0.00 175.10 174.68 1c14 s VAL 245 N 0.62 4.84 -0.21 2.92 1.01 0.11 -4.80 120.40 124.89 1c14 s VAL 245 Ca 0.12 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 63.89 1c14 s VAL 245 Cb -0.21 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 1c14 s VAL 245 CO -0.03 0.10 0.74 -1.00 0.00 0.00 0.00 175.10 174.90 1c14 s HIS 246 N 1.44 3.36 -0.68 5.22 3.76 -1.26 0.84 115.29 127.96 1c14 s HIS 246 Ca 0.50 1.06 0.05 0.00 -0.15 0.00 0.00 55.06 56.52 1c14 s HIS 246 Cb -0.20 -2.93 0.22 0.00 1.11 0.00 0.00 32.58 30.78 1c14 s HIS 246 CO 0.23 -0.27 0.67 0.28 -0.85 0.00 0.00 174.74 174.80 1c14 n VAL 247 N 4.91 2.17 -1.87 -0.90 0.31 0.12 -4.80 118.33 118.28 1c14 n VAL 247 Ca 0.02 -5.10 0.02 0.00 -0.01 0.00 0.00 64.34 59.27 1c14 n VAL 247 Cb 0.49 -2.14 0.03 0.00 -0.91 0.00 0.00 33.84 31.30 1c14 n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1c14 n ASP 248 N 1.32 0.52 0.00 4.52 5.75 -1.26 -1.44 116.55 125.96 1c14 n ASP 248 Ca 0.26 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1c14 n ASP 248 Cb 0.38 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1c14 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c14 n GLY 249 N -0.24 0.94 0.00 6.12 0.00 -1.26 -2.68 105.19 108.07 1c14 n GLY 249 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1c14 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c14 n GLY 250 N -2.00 0.80 0.33 -0.02 0.00 -1.26 -3.04 105.19 99.99 1c14 n GLY 250 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1c14 n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1c14 h PHE 251 N 0.00 -0.79 0.00 1.61 3.57 -1.82 -2.20 116.94 117.31 1c14 h PHE 251 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1c14 h PHE 251 Cb 0.00 0.45 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1c14 h PHE 251 CO 0.00 -0.37 0.00 0.66 -2.23 0.00 0.00 178.31 176.37 1c14 h SER 252 N -0.11 0.00 0.40 0.41 4.64 -1.96 -2.97 113.55 113.96 1c14 h SER 252 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1c14 h SER 252 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1c14 h SER 252 CO -0.72 0.00 -1.14 2.30 -0.87 0.00 0.00 176.83 176.40 1c14 n ILE 253 N -2.71 0.18 -2.55 0.95 -6.64 -0.84 -4.91 119.36 102.84 1c14 n ILE 253 Ca -0.00 -0.29 -0.27 0.00 -1.77 0.00 0.00 62.75 60.42 1c14 n ILE 253 Cb 0.17 0.18 0.01 0.00 -1.44 0.00 0.00 39.64 38.56 1c14 n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1c14 s ALA 254 N -3.24 3.37 -0.11 -1.28 0.00 -1.12 -5.10 121.76 114.28 1c14 s ALA 254 Ca 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1c14 s ALA 254 Cb 0.14 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.68 1c14 s ALA 254 CO 0.82 -0.45 0.29 0.00 0.00 0.00 0.00 175.76 176.42 1c14 s ALA 255 N -2.81 -0.71 -1.34 0.00 0.00 -1.26 -4.91 121.76 110.72 1c14 s ALA 255 Ca 0.49 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1c14 s ALA 255 Cb -0.10 -0.54 0.10 0.00 0.00 0.00 0.00 23.12 22.58 1c14 s ALA 255 CO 0.45 -0.16 0.54 -1.33 0.00 0.00 0.00 175.76 175.26 1c14 n MET 256 N 3.27 -3.12 0.00 0.00 2.81 -1.26 -5.25 117.12 113.57 1c14 n MET 256 Ca -0.16 0.39 0.03 0.00 -1.81 0.00 0.00 57.70 56.15 1c14 n MET 256 Cb 0.57 -5.09 0.18 0.00 -0.71 0.00 0.00 33.22 28.17 1c14 n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57