#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n62 n LYS 3 N 0.00 0.63 -3.80 0.00 5.02 -1.26 -4.83 118.16 113.92 1n62 n LYS 3 Ca 0.00 0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 56.19 1n62 n LYS 3 Cb 0.00 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.01 1n62 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n62 s ALA 4 N -1.66 3.86 -0.11 7.82 0.00 0.18 -4.80 121.76 127.05 1n62 s ALA 4 Ca 0.72 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 1n62 s ALA 4 Cb -0.41 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1n62 s ALA 4 CO 0.51 0.64 0.53 -1.58 0.00 0.00 0.00 175.76 175.86 1n62 s HIS 5 N -1.19 3.52 0.14 0.00 2.46 -1.26 -0.61 115.29 118.35 1n62 s HIS 5 Ca 0.23 0.97 0.09 0.00 0.47 0.00 0.00 55.06 56.81 1n62 s HIS 5 Cb -0.13 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.67 1n62 s HIS 5 CO 0.12 0.15 -0.21 0.96 -2.47 0.00 0.00 174.74 173.29 1n62 s ILE 6 N 0.68 1.85 -0.03 0.89 -4.36 0.70 -4.98 121.20 115.94 1n62 s ILE 6 Ca 0.29 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 1n62 s ILE 6 Cb -0.16 -1.75 0.01 0.00 1.25 0.00 0.00 42.46 41.82 1n62 s ILE 6 CO 0.12 -0.15 -0.05 -1.61 0.24 0.00 0.00 174.94 173.49 1n62 s GLU 7 N -2.32 0.77 0.33 0.37 2.02 -1.26 -1.18 118.70 117.44 1n62 s GLU 7 Ca 0.12 -0.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.85 1n62 s GLU 7 Cb -0.08 -0.77 0.04 0.00 0.10 0.00 0.00 34.13 33.42 1n62 s GLU 7 CO 0.06 -0.01 0.63 1.47 0.02 0.00 0.00 175.26 177.43 1n62 n LEU 8 N 3.73 0.00 -4.19 1.80 -0.00 -0.04 0.09 117.00 118.39 1n62 n LEU 8 Ca -0.22 -2.27 -0.31 0.00 -0.00 0.00 0.00 56.01 53.20 1n62 n LEU 8 Cb 0.52 3.10 -0.17 0.00 -0.00 0.00 0.00 43.42 46.87 1n62 n LEU 8 CO 0.24 -0.71 -0.55 -0.89 -0.00 0.00 0.00 177.39 175.49 1n62 s THR 9 N -2.33 1.91 -0.09 1.47 2.01 -0.39 -0.11 115.64 118.10 1n62 s THR 9 Ca 0.16 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1n62 s THR 9 Cb -0.04 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1n62 s THR 9 CO 0.12 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.84 1n62 s ILE 10 N 0.34 1.14 -1.49 1.82 1.01 0.03 -0.29 121.20 123.76 1n62 s ILE 10 Ca -0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1n62 s ILE 10 Cb -0.17 -1.09 0.09 0.00 0.01 0.00 0.00 42.46 41.30 1n62 s ILE 10 CO 0.08 0.37 0.79 0.59 0.00 0.00 0.00 174.94 176.77 1n62 n ASN 11 N 4.38 -4.39 0.00 3.58 5.03 0.72 -1.27 115.26 123.31 1n62 n ASN 11 Ca -0.18 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.61 1n62 n ASN 11 Cb 0.51 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.72 1n62 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n62 n GLY 12 N -1.48 0.88 3.61 7.41 0.00 -1.26 -4.96 105.19 109.39 1n62 n GLY 12 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1n62 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n62 s HIS 13 N -3.50 2.93 0.31 1.61 3.76 -0.40 -5.08 115.29 114.92 1n62 s HIS 13 Ca 0.00 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.61 1n62 s HIS 13 Cb 0.00 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.96 1n62 s HIS 13 CO 0.00 0.39 1.25 -1.25 -0.85 0.00 0.00 174.74 174.28 1n62 s PRO 14 N -1.37 4.43 -0.03 8.40 0.04 -1.26 -0.79 135.00 144.42 1n62 s PRO 14 Ca 0.17 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.35 1n62 s PRO 14 Cb -0.11 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.32 1n62 s PRO 14 CO 0.07 -0.08 -0.14 0.08 0.04 0.00 0.00 177.00 176.97 1n62 s VAL 15 N -1.11 1.15 -0.01 -0.36 1.01 0.84 -4.87 120.40 117.07 1n62 s VAL 15 Ca 0.48 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1n62 s VAL 15 Cb -0.38 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1n62 s VAL 15 CO 0.49 0.33 -0.07 -1.83 0.00 0.00 0.00 175.10 174.03 1n62 s GLU 16 N -0.08 0.55 0.18 2.72 -1.05 -1.26 -0.87 118.70 118.89 1n62 s GLU 16 Ca 0.00 -0.24 -0.20 0.00 -0.15 0.00 0.00 54.97 54.39 1n62 s GLU 16 Cb -0.08 -0.53 0.04 0.00 -0.44 0.00 0.00 34.13 33.12 1n62 s GLU 16 CO 0.01 0.14 0.55 0.00 0.95 0.00 0.00 175.26 176.91 1n62 s ALA 17 N -0.15 -1.20 -0.16 -0.84 0.00 -0.32 -4.99 121.76 114.10 1n62 s ALA 17 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 1n62 s ALA 17 Cb -0.03 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1n62 s ALA 17 CO -0.00 -0.80 0.01 -0.51 0.00 0.00 0.00 175.76 174.46 1n62 s LEU 18 N -2.83 3.55 0.03 0.00 1.43 -1.26 -0.22 118.68 119.39 1n62 s LEU 18 Ca 0.06 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1n62 s LEU 18 Cb -0.01 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1n62 s LEU 18 CO -0.06 0.20 -0.07 0.68 0.23 0.00 0.00 176.35 177.33 1n62 s VAL 19 N 0.19 0.50 0.40 -1.59 -7.23 0.22 -4.91 120.40 107.98 1n62 s VAL 19 Ca 0.01 -0.80 -0.26 0.00 -1.81 0.00 0.00 61.98 59.12 1n62 s VAL 19 Cb -0.13 -0.53 -0.09 0.00 0.56 0.00 0.00 36.38 36.19 1n62 s VAL 19 CO 0.02 -0.22 1.30 -1.61 -0.31 0.00 0.00 175.10 174.28 1n62 s GLU 20 N -1.10 4.02 0.43 4.82 2.02 -1.26 0.52 118.70 128.15 1n62 s GLU 20 Ca -0.06 2.17 0.15 0.00 0.02 0.00 0.00 54.97 57.24 1n62 s GLU 20 Cb -0.07 -2.80 1.04 0.00 0.10 0.00 0.00 34.13 32.39 1n62 s GLU 20 CO 0.00 -0.45 1.96 -1.35 0.02 0.00 0.00 175.26 175.44 1n62 h PRO 21 N 2.77 0.40 0.00 0.39 0.11 -1.94 -1.33 132.00 132.40 1n62 h PRO 21 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n62 h PRO 21 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1n62 h PRO 21 CO 0.63 0.27 0.00 2.89 -0.21 0.00 0.00 178.00 181.57 1n62 n ARG 22 N -4.47 0.25 -1.94 1.05 1.85 -1.26 -4.58 116.66 107.56 1n62 n ARG 22 Ca 0.12 0.04 -0.42 0.00 -1.00 0.00 0.00 57.85 56.59 1n62 n ARG 22 Cb 0.43 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 1n62 n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n62 s THR 23 N -2.72 3.05 0.40 8.89 2.01 -0.50 -4.94 115.64 121.83 1n62 s THR 23 Ca 0.21 0.51 -0.24 0.00 0.31 0.00 0.00 61.69 62.47 1n62 s THR 23 Cb 0.17 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 1n62 s THR 23 CO 0.42 -0.00 1.09 -0.76 -0.69 0.00 0.00 174.62 174.68 1n62 s LEU 24 N 2.57 4.14 0.30 4.42 1.43 -1.26 -0.72 118.68 129.56 1n62 s LEU 24 Ca 0.73 2.13 0.04 0.00 -1.03 0.00 0.00 54.13 56.00 1n62 s LEU 24 Cb -0.40 -4.15 0.64 0.00 0.03 0.00 0.00 46.19 42.32 1n62 s LEU 24 CO 0.32 -0.57 1.83 0.25 0.23 0.00 0.00 176.35 178.41 1n62 h LEU 25 N 2.50 0.85 -0.85 1.79 5.85 -0.36 -0.41 115.31 124.69 1n62 h LEU 25 Ca -0.48 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1n62 h LEU 25 Cb 1.22 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1n62 h LEU 25 CO 0.62 0.42 0.54 -0.29 -0.34 0.00 0.00 178.44 179.39 1n62 h ILE 26 N 0.90 1.23 -0.22 4.05 6.09 -1.33 0.29 117.51 128.51 1n62 h ILE 26 Ca 0.50 -0.45 -0.16 0.00 -1.37 0.00 0.00 64.86 63.38 1n62 h ILE 26 Cb 0.61 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 1n62 h ILE 26 CO -0.27 0.23 -0.52 0.45 -3.07 0.00 0.00 178.15 174.96 1n62 h HIS 27 N 1.16 0.79 -0.46 2.19 3.86 -1.44 -0.89 115.15 120.35 1n62 h HIS 27 Ca 0.31 -0.27 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1n62 h HIS 27 Cb -0.09 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.19 1n62 h HIS 27 CO -0.01 1.02 0.23 0.35 0.86 0.00 0.00 177.93 180.39 1n62 h PHE 28 N 0.49 0.43 -0.16 2.45 3.57 -0.44 0.35 116.94 123.63 1n62 h PHE 28 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1n62 h PHE 28 Cb 1.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1n62 h PHE 28 CO 0.05 0.22 0.05 0.82 -2.23 0.00 0.00 178.31 177.22 1n62 h ILE 29 N 0.46 1.18 0.06 1.41 2.04 -0.81 -0.19 117.51 121.66 1n62 h ILE 29 Ca 0.20 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 1n62 h ILE 29 Cb 0.10 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1n62 h ILE 29 CO -0.14 0.17 -0.58 0.03 0.00 0.00 0.00 178.15 177.63 1n62 h ARG 30 N 0.09 0.30 0.11 2.37 3.08 -1.01 -0.26 114.38 119.06 1n62 h ARG 30 Ca 0.05 -0.39 -0.33 0.00 0.07 0.00 0.00 59.98 59.38 1n62 h ARG 30 Cb 0.21 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1n62 h ARG 30 CO -0.00 1.12 -1.74 0.93 -1.07 0.00 0.00 179.97 179.21 1n62 h GLU 31 N -0.34 0.24 0.11 0.04 4.39 -0.37 -2.94 114.58 115.71 1n62 h GLU 31 Ca -0.09 -0.41 -0.34 0.00 0.34 0.00 0.00 59.36 58.86 1n62 h GLU 31 Cb 1.37 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.15 1n62 h GLU 31 CO 0.11 1.20 -1.85 1.96 -1.16 0.00 0.00 179.01 179.27 1n62 h GLN 32 N -0.16 0.23 -0.00 2.33 4.20 -1.30 -3.39 115.11 117.02 1n62 h GLN 32 Ca -0.38 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 57.93 1n62 h GLN 32 Cb 1.88 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.81 1n62 h GLN 32 CO 0.05 1.19 -0.46 1.04 -0.67 0.00 0.00 178.83 179.98 1n62 n GLN 33 N -3.66 0.08 -2.74 1.46 1.13 -0.17 -4.93 117.38 108.55 1n62 n GLN 33 Ca -0.31 -0.05 -0.21 0.00 -1.94 0.00 0.00 57.00 54.49 1n62 n GLN 33 Cb 0.99 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.85 1n62 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n62 n ASN 34 N -1.42 -5.55 -4.32 1.08 3.02 -0.94 -4.89 115.26 102.24 1n62 n ASN 34 Ca 0.06 -0.13 -0.45 0.00 -0.03 0.00 0.00 54.58 54.03 1n62 n ASN 34 Cb 0.34 -4.57 -0.01 0.00 -0.61 0.00 0.00 39.78 34.93 1n62 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n62 s LEU 35 N -6.29 6.41 -0.03 3.41 1.43 -0.15 -4.85 118.68 118.60 1n62 s LEU 35 Ca 0.16 -3.34 0.10 0.00 -1.03 0.00 0.00 54.13 50.02 1n62 s LEU 35 Cb -0.07 -2.19 0.34 0.00 0.03 0.00 0.00 46.19 44.30 1n62 s LEU 35 CO 0.19 -0.36 1.23 0.35 0.23 0.00 0.00 176.35 177.99 1n62 n THR 36 N 3.05 0.71 0.08 5.49 -2.24 -1.26 -3.93 114.28 116.18 1n62 n THR 36 Ca 0.21 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1n62 n THR 36 Cb 0.41 0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 1n62 n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n62 h GLY 37 N 5.03 -0.16 -4.01 3.38 0.00 -1.95 -3.43 103.07 101.93 1n62 h GLY 37 Ca 0.00 0.06 -0.55 0.00 0.00 0.00 0.00 47.33 46.84 1n62 h GLY 37 CO 0.06 -0.06 0.66 0.00 0.00 0.00 0.00 176.54 177.20 1n62 n ALA 38 N -2.23 1.91 -2.34 3.60 0.00 -1.25 -4.68 120.51 115.52 1n62 n ALA 38 Ca -0.08 0.34 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1n62 n ALA 38 Cb 0.14 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.14 1n62 n ALA 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1n62 s HIS 39 N -1.12 1.68 -0.20 0.00 3.76 -0.85 -4.93 115.29 113.64 1n62 s HIS 39 Ca 0.55 -0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1n62 s HIS 39 Cb -0.51 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 1n62 s HIS 39 CO 0.63 0.32 0.01 0.42 -0.85 0.00 0.00 174.74 175.27 1n62 s ILE 40 N -3.02 4.05 -0.10 0.60 1.01 -1.26 -1.32 121.20 121.16 1n62 s ILE 40 Ca 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1n62 s ILE 40 Cb -0.00 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 1n62 s ILE 40 CO 0.06 0.43 0.26 0.61 0.00 0.00 0.00 174.94 176.31 1n62 n GLY 41 N 4.20 -0.11 3.82 6.18 0.00 -1.26 -5.04 105.19 112.98 1n62 n GLY 41 Ca -0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1n62 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 n ASP 43 N -0.75 1.78 0.00 0.00 5.68 -1.26 -4.73 116.55 117.27 1n62 n ASP 43 Ca -0.05 -2.93 0.00 0.00 -0.50 0.00 0.00 54.79 51.31 1n62 n ASP 43 Cb 0.60 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1n62 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1n62 n THR 44 N -1.06 0.06 -1.03 2.12 -2.24 -1.26 -5.03 114.28 105.84 1n62 n THR 44 Ca 0.13 -0.09 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1n62 n THR 44 Cb 0.67 1.36 -0.00 0.00 -2.10 0.00 0.00 70.33 70.26 1n62 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n62 n SER 45 N -0.03 -3.16 0.02 3.42 7.64 -1.26 -4.95 113.62 115.30 1n62 n SER 45 Ca 0.00 0.03 -0.20 0.00 1.01 0.00 0.00 58.87 59.71 1n62 n SER 45 Cb 0.36 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 1n62 n SER 45 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1n62 h HIS 46 N 0.00 0.48 0.00 1.43 3.86 -1.94 -3.42 115.15 115.56 1n62 h HIS 46 Ca -0.02 -0.35 -0.14 0.00 -1.16 0.00 0.00 60.37 58.70 1n62 h HIS 46 Cb 0.08 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1n62 h HIS 46 CO 0.04 1.67 -0.66 0.00 0.86 0.00 0.00 177.93 179.84 1n62 n GLY 48 N 1.26 0.63 0.29 0.00 0.00 -1.11 -0.22 105.19 106.04 1n62 n GLY 48 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.21 1n62 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 h ALA 49 N 0.00 1.07 -0.45 4.61 0.00 -1.87 -1.28 119.26 121.34 1n62 h ALA 49 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n62 h ALA 49 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n62 h ALA 49 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1n62 s THR 51 N -1.45 2.99 0.23 0.00 2.01 -0.48 -2.63 115.64 116.32 1n62 s THR 51 Ca 0.31 0.75 0.06 0.00 0.31 0.00 0.00 61.69 63.12 1n62 s THR 51 Cb 0.17 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1n62 s THR 51 CO 0.20 0.08 -0.08 0.68 -0.69 0.00 0.00 174.62 174.82 1n62 s VAL 52 N 0.65 1.49 -0.25 3.82 -7.23 -0.17 -4.48 120.40 114.23 1n62 s VAL 52 Ca 0.63 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 1n62 s VAL 52 Cb -0.39 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1n62 s VAL 52 CO 0.35 -0.44 0.29 -0.62 -0.31 0.00 0.00 175.10 174.38 1n62 s ASP 53 N -3.35 6.21 -0.14 4.85 2.15 -0.52 -1.14 116.67 124.73 1n62 s ASP 53 Ca 0.26 0.23 -0.03 0.00 0.43 0.00 0.00 52.55 53.44 1n62 s ASP 53 Cb 0.03 -2.17 0.05 0.00 -0.30 0.00 0.00 42.92 40.52 1n62 s ASP 53 CO 0.09 -0.08 0.04 -0.22 -0.17 0.00 0.00 175.17 174.83 1n62 s LEU 54 N 1.66 0.67 -1.45 -1.34 0.20 0.80 0.00 118.68 119.23 1n62 s LEU 54 Ca 0.12 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.48 1n62 s LEU 54 Cb -0.15 -0.40 0.00 0.00 -0.43 0.00 0.00 46.19 45.21 1n62 s LEU 54 CO 0.09 -0.28 0.31 0.47 -0.29 0.00 0.00 176.35 176.65 1n62 n ASP 55 N 5.17 -0.00 -0.08 3.68 8.00 0.01 -0.68 116.55 132.65 1n62 n ASP 55 Ca -0.07 -1.08 -0.01 0.00 0.71 0.00 0.00 54.79 54.34 1n62 n ASP 55 Cb 0.49 -2.67 -0.00 0.00 -0.02 0.00 0.00 41.12 38.91 1n62 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n62 n GLY 56 N -2.13 0.49 3.27 0.44 0.00 -1.26 -5.01 105.19 100.99 1n62 n GLY 56 Ca -0.31 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 1n62 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n62 s MET 57 N -1.00 1.10 -0.22 1.61 -1.94 0.15 -5.07 119.30 113.93 1n62 s MET 57 Ca 0.00 -1.18 -0.21 0.00 -1.71 0.00 0.00 55.69 52.59 1n62 s MET 57 Cb 0.00 -1.25 -0.02 0.00 2.01 0.00 0.00 34.83 35.57 1n62 s MET 57 CO 0.00 0.28 0.65 -1.12 -0.01 0.00 0.00 175.02 174.82 1n62 s SER 58 N -2.07 6.66 -0.04 3.03 0.01 -1.26 -0.14 113.70 119.89 1n62 s SER 58 Ca 0.07 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.18 1n62 s SER 58 Cb -0.09 -2.35 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1n62 s SER 58 CO 0.04 -0.33 -0.16 -0.69 0.41 0.00 0.00 173.24 172.51 1n62 s VAL 59 N 2.20 1.33 -0.73 3.43 1.01 -0.29 -4.97 120.40 122.39 1n62 s VAL 59 Ca 0.28 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1n62 s VAL 59 Cb -0.16 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1n62 s VAL 59 CO 0.09 0.39 1.27 -0.54 0.00 0.00 0.00 175.10 176.31 1n62 s LYS 60 N -0.00 3.21 0.00 2.72 1.02 -1.26 -1.00 119.74 124.43 1n62 s LYS 60 Ca -0.02 -0.23 0.12 0.00 0.02 0.00 0.00 55.97 55.86 1n62 s LYS 60 Cb -0.10 -4.17 0.54 0.00 -0.52 0.00 0.00 37.83 33.58 1n62 s LYS 60 CO 0.02 -2.12 1.36 -1.13 -0.92 0.00 0.00 175.35 172.56 1n62 n SER 61 N 9.29 0.00 -0.03 2.83 3.41 -1.08 -0.90 113.62 127.14 1n62 n SER 61 Ca 0.03 0.39 0.15 0.00 -0.26 0.00 0.00 58.87 59.19 1n62 n SER 61 Cb 0.49 -0.44 0.83 0.00 -0.26 0.00 0.00 64.21 64.83 1n62 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n62 n THR 63 N -1.04 2.07 -3.68 0.00 -1.04 -0.07 -4.90 114.28 105.61 1n62 n THR 63 Ca 0.20 -3.47 -0.14 0.00 -2.04 0.00 0.00 64.05 58.60 1n62 n THR 63 Cb 0.18 -0.38 -0.08 0.00 -1.82 0.00 0.00 70.33 68.22 1n62 n THR 63 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n62 s MET 64 N -3.19 0.69 0.27 -2.82 0.00 -1.24 -4.98 119.30 108.02 1n62 s MET 64 Ca 0.42 0.43 -0.16 0.00 0.00 0.00 0.00 55.69 56.38 1n62 s MET 64 Cb 0.38 0.33 -0.08 0.00 0.00 0.00 0.00 34.83 35.46 1n62 s MET 64 CO -0.03 -0.14 0.70 -0.06 0.00 0.00 0.00 175.02 175.50 1n62 s PHE 65 N -0.34 3.49 0.36 4.11 0.08 -1.26 -0.12 117.98 124.30 1n62 s PHE 65 Ca -0.05 1.24 0.10 0.00 0.12 0.00 0.00 56.93 58.34 1n62 s PHE 65 Cb -0.03 -2.53 0.85 0.00 -0.57 0.00 0.00 43.02 40.74 1n62 s PHE 65 CO 0.03 0.22 1.86 0.00 -0.10 0.00 0.00 175.22 177.23 1n62 h ALA 66 N 2.77 1.88 0.00 5.36 0.00 -1.14 0.96 119.26 129.10 1n62 h ALA 66 Ca -0.48 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1n62 h ALA 66 Cb 1.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1n62 h ALA 66 CO 0.66 -0.14 -0.08 -0.39 0.00 0.00 0.00 179.25 179.30 1n62 h VAL 67 N 0.65 0.89 0.00 0.00 -1.51 -1.81 0.86 116.25 115.33 1n62 h VAL 67 Ca 0.46 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.63 1n62 h VAL 67 Cb 0.80 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1n62 h VAL 67 CO -0.21 0.08 -0.09 1.56 -1.23 0.00 0.00 177.57 177.68 1n62 h GLN 68 N 0.00 0.00 -0.27 5.19 4.20 -1.17 -2.62 115.11 120.44 1n62 h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n62 h GLN 68 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1n62 h GLN 68 CO 0.01 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1n62 n ALA 69 N -2.17 2.48 -1.69 3.87 0.00 0.29 -4.89 120.51 118.40 1n62 n ALA 69 Ca -0.01 -0.60 -0.44 0.00 0.00 0.00 0.00 53.44 52.39 1n62 n ALA 69 Cb 0.29 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 1n62 n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n62 n ASN 70 N 0.48 3.50 0.00 0.00 5.15 -0.99 -0.79 115.26 122.62 1n62 n ASN 70 Ca 0.15 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 1n62 n ASN 70 Cb 0.33 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 1n62 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n62 n GLY 71 N 3.58 1.56 3.83 8.20 0.00 0.11 -4.98 105.19 117.50 1n62 n GLY 71 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1n62 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 72 N -3.62 2.98 -0.25 4.61 0.00 0.03 -4.83 121.76 120.69 1n62 s ALA 72 Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 1n62 s ALA 72 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1n62 s ALA 72 CO 0.00 -0.41 0.15 0.45 0.00 0.00 0.00 175.76 175.96 1n62 s SER 73 N -3.06 6.00 -0.02 0.00 0.15 -1.26 -1.26 113.70 114.25 1n62 s SER 73 Ca 0.60 0.06 0.07 0.00 0.70 0.00 0.00 55.95 57.38 1n62 s SER 73 Cb -0.11 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1n62 s SER 73 CO 0.34 0.04 -0.21 -0.63 1.20 0.00 0.00 173.24 173.97 1n62 s ILE 74 N 1.21 2.46 -0.10 6.45 1.01 0.60 -0.81 121.20 132.03 1n62 s ILE 74 Ca 0.07 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1n62 s ILE 74 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1n62 s ILE 74 CO 0.06 0.54 -0.18 -0.89 0.00 0.00 0.00 174.94 174.46 1n62 s THR 75 N -0.70 2.60 0.54 2.92 2.01 0.10 -0.20 115.64 122.91 1n62 s THR 75 Ca 0.11 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1n62 s THR 75 Cb -0.10 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1n62 s THR 75 CO 0.00 0.55 0.37 0.42 -0.69 0.00 0.00 174.62 175.28 1n62 s THR 76 N 0.10 1.62 0.46 -0.82 -4.23 -1.26 -1.44 115.64 110.07 1n62 s THR 76 Ca -0.09 -1.53 0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1n62 s THR 76 Cb -0.15 -2.15 0.25 0.00 1.34 0.00 0.00 72.50 71.79 1n62 s THR 76 CO 0.05 0.00 2.07 -0.29 -0.54 0.00 0.00 174.62 175.92 1n62 h ILE 77 N 0.80 1.07 0.00 2.99 6.09 -1.90 0.13 117.51 126.69 1n62 h ILE 77 Ca -0.37 -0.22 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1n62 h ILE 77 Cb 1.30 0.87 -0.00 0.00 0.47 0.00 0.00 36.82 39.46 1n62 h ILE 77 CO 0.58 0.08 -0.02 -0.33 -3.07 0.00 0.00 178.15 175.40 1n62 h GLU 78 N 0.24 0.00 -0.01 2.19 3.07 -1.98 -1.73 114.58 116.35 1n62 h GLU 78 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1n62 h GLU 78 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1n62 h GLU 78 CO -0.01 0.02 -0.02 0.41 -1.40 0.00 0.00 179.01 178.02 1n62 n GLY 79 N -1.07 -0.28 0.11 -3.84 0.00 0.47 -4.36 105.19 96.21 1n62 n GLY 79 Ca -0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 1n62 n GLY 79 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n62 h MET 80 N 1.72 0.28 -7.05 1.61 2.86 -1.36 -3.46 114.93 109.52 1n62 h MET 80 Ca 0.00 -0.48 -0.51 0.00 -2.06 0.00 0.00 59.70 56.65 1n62 h MET 80 Cb 0.39 0.18 0.08 0.00 0.06 0.00 0.00 31.60 32.30 1n62 h MET 80 CO 0.00 1.19 0.47 0.00 1.06 0.00 0.00 176.91 179.63 1n62 s ALA 81 N -2.64 2.78 0.95 6.32 0.00 -1.26 -4.18 121.76 123.74 1n62 s ALA 81 Ca -0.06 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 1n62 s ALA 81 Cb 0.07 -3.39 0.16 0.00 0.00 0.00 0.00 23.12 19.96 1n62 s ALA 81 CO 0.88 -0.82 1.09 0.00 0.00 0.00 0.00 175.76 176.91 1n62 s ALA 82 N -1.63 1.13 0.46 0.00 0.00 0.62 -4.86 121.76 117.48 1n62 s ALA 82 Ca 0.70 0.13 0.17 0.00 0.00 0.00 0.00 51.96 52.96 1n62 s ALA 82 Cb -0.27 -3.28 1.13 0.00 0.00 0.00 0.00 23.12 20.69 1n62 s ALA 82 CO 0.32 -2.75 1.99 -1.35 0.00 0.00 0.00 175.76 173.97 1n62 h PRO 83 N -1.84 0.28 -0.07 0.00 0.11 -1.94 0.19 132.00 128.73 1n62 h PRO 83 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n62 h PRO 83 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1n62 h PRO 83 CO 0.50 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 1n62 n ASP 84 N -4.46 0.69 0.00 -2.05 5.68 -1.26 -4.86 116.55 110.30 1n62 n ASP 84 Ca 0.09 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1n62 n ASP 84 Cb 0.42 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1n62 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n62 n GLY 85 N 0.94 2.45 3.75 6.12 0.00 0.65 -5.03 105.19 114.06 1n62 n GLY 85 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1n62 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n62 s THR 86 N -2.67 2.07 0.43 2.61 2.01 -1.25 -4.63 115.64 114.21 1n62 s THR 86 Ca 0.00 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 1n62 s THR 86 Cb 0.00 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.40 1n62 s THR 86 CO 0.00 0.01 1.24 -0.76 -0.69 0.00 0.00 174.62 174.42 1n62 s LEU 87 N -0.34 4.12 0.98 4.42 1.43 -1.26 -0.27 118.68 127.76 1n62 s LEU 87 Ca 0.64 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 56.14 1n62 s LEU 87 Cb -0.48 -4.05 0.19 0.00 0.03 0.00 0.00 46.19 41.87 1n62 s LEU 87 CO 0.46 -0.90 1.12 -0.94 0.23 0.00 0.00 176.35 176.32 1n62 s SER 88 N -1.01 2.34 0.25 2.29 1.04 -1.26 -4.73 113.70 112.62 1n62 s SER 88 Ca 0.60 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 59.02 1n62 s SER 88 Cb -0.34 -2.51 0.37 0.00 0.10 0.00 0.00 66.02 63.64 1n62 s SER 88 CO 0.43 -3.44 1.85 0.00 0.98 0.00 0.00 173.24 173.06 1n62 h ALA 89 N -2.10 1.24 -0.30 5.32 0.00 -1.93 0.43 119.26 121.92 1n62 h ALA 89 Ca -0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1n62 h ALA 89 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1n62 h ALA 89 CO 0.43 0.27 0.10 -0.07 0.00 0.00 0.00 179.25 179.99 1n62 h LEU 90 N 0.98 0.43 -0.43 0.00 3.38 -1.90 0.30 115.31 118.06 1n62 h LEU 90 Ca 0.40 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1n62 h LEU 90 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1n62 h LEU 90 CO -0.19 0.51 0.28 1.56 0.09 0.00 0.00 178.44 180.69 1n62 h GLN 91 N 0.32 0.58 -0.65 1.13 4.20 -1.69 0.35 115.11 119.35 1n62 h GLN 91 Ca 0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1n62 h GLN 91 Cb 0.23 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1n62 h GLN 91 CO -0.00 0.39 0.28 1.49 -0.67 0.00 0.00 178.83 180.32 1n62 h GLU 92 N 0.59 0.95 -0.62 1.46 4.81 -0.81 -2.38 114.58 118.58 1n62 h GLU 92 Ca 0.16 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1n62 h GLU 92 Cb -0.05 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1n62 h GLU 92 CO -0.03 0.78 0.26 0.78 -0.73 0.00 0.00 179.01 180.07 1n62 h GLY 93 N 0.90 0.98 1.15 1.92 0.00 0.06 0.19 103.07 108.28 1n62 h GLY 93 Ca 0.22 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1n62 h GLY 93 CO -0.02 0.49 0.52 0.74 0.00 0.00 0.00 176.54 178.27 1n62 h PHE 94 N 0.85 1.09 -0.02 5.60 -1.00 -0.80 0.61 116.94 123.27 1n62 h PHE 94 Ca 0.21 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 1n62 h PHE 94 Cb 0.17 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 1n62 h PHE 94 CO 0.01 0.71 -0.02 -0.09 -1.61 0.00 0.00 178.31 177.31 1n62 h ARG 95 N 1.15 0.06 -0.77 1.51 2.43 -0.95 0.20 114.38 118.01 1n62 h ARG 95 Ca 0.30 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1n62 h ARG 95 Cb -0.07 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1n62 h ARG 95 CO -0.06 0.52 0.37 0.52 -1.51 0.00 0.00 179.97 179.81 1n62 h MET 96 N -0.40 1.10 -0.33 0.20 2.86 -0.39 -2.69 114.93 115.27 1n62 h MET 96 Ca 0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1n62 h MET 96 Cb 0.51 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1n62 h MET 96 CO 0.01 0.85 0.00 -1.33 1.06 0.00 0.00 176.91 177.49 1n62 n MET 97 N -4.32 2.24 -3.53 1.72 2.81 0.18 -4.96 117.12 111.27 1n62 n MET 97 Ca 0.08 -1.88 -0.19 0.00 -1.81 0.00 0.00 57.70 53.89 1n62 n MET 97 Cb 0.14 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.24 1n62 n MET 97 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1n62 n HIS 98 N 1.09 -2.09 0.50 2.03 -0.00 -0.83 -4.77 115.22 111.15 1n62 n HIS 98 Ca 0.18 0.86 0.05 0.00 0.46 0.00 0.00 57.72 59.27 1n62 n HIS 98 Cb 0.51 -4.58 0.18 0.00 -0.12 0.00 0.00 29.99 25.98 1n62 n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n62 n GLY 99 N -1.36 1.37 3.27 1.57 0.00 0.65 -4.72 105.19 105.97 1n62 n GLY 99 Ca -0.26 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1n62 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n62 s LEU 100 N -1.16 0.78 0.00 0.99 2.34 -1.26 -4.63 118.68 115.74 1n62 s LEU 100 Ca 0.26 -0.39 0.00 0.00 0.06 0.00 0.00 54.13 54.06 1n62 s LEU 100 Cb 0.16 1.52 0.00 0.00 -0.56 0.00 0.00 46.19 47.32 1n62 s LEU 100 CO 0.13 -0.78 0.00 0.00 -1.06 0.00 0.00 176.35 174.65 1n62 n GLN 101 N -0.05 0.00 0.25 1.48 6.02 -1.26 -4.84 117.38 118.98 1n62 n GLN 101 Ca -0.16 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 56.99 1n62 n GLN 101 Cb 0.63 0.00 0.58 0.00 1.02 0.00 0.00 30.24 32.47 1n62 n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n62 n GLY 103 N 0.22 0.88 0.14 0.00 0.00 -1.26 -4.93 105.19 100.25 1n62 n GLY 103 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1n62 n GLY 103 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n62 h TYR 104 N 0.00 0.55 -0.00 1.61 3.20 -1.98 -2.79 116.97 117.56 1n62 h TYR 104 Ca 0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1n62 h TYR 104 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1n62 h TYR 104 CO 0.00 1.19 -0.13 0.00 -1.64 0.00 0.00 178.16 177.59 1n62 h THR 106 N 0.02 1.26 -0.50 0.00 2.02 -1.86 0.35 112.91 114.20 1n62 h THR 106 Ca 0.00 -0.96 0.07 0.00 0.77 0.00 0.00 66.41 66.29 1n62 h THR 106 Cb 0.49 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1n62 h THR 106 CO 0.00 0.31 0.18 -0.65 0.37 0.00 0.00 175.52 175.72 1n62 h PRO 107 N 0.29 0.34 -0.23 6.66 0.11 -1.78 0.11 132.00 137.50 1n62 h PRO 107 Ca 0.08 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.06 1n62 h PRO 107 Cb 0.45 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1n62 h PRO 107 CO 0.02 0.23 -0.33 0.78 -0.21 0.00 0.00 178.00 178.48 1n62 h GLY 108 N 0.35 0.53 0.91 -0.55 0.00 -1.52 0.30 103.07 103.09 1n62 h GLY 108 Ca 0.24 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1n62 h GLY 108 CO -0.25 0.43 -0.01 1.98 0.00 0.00 0.00 176.54 178.69 1n62 h MET 109 N 0.42 0.60 -0.46 4.80 -1.53 -0.37 -0.13 114.93 118.26 1n62 h MET 109 Ca 0.05 -0.20 -0.08 0.00 -3.44 0.00 0.00 59.70 56.03 1n62 h MET 109 Cb 0.78 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.77 1n62 h MET 109 CO 0.06 0.73 -0.04 0.82 0.14 0.00 0.00 176.91 178.63 1n62 h ILE 110 N 0.40 1.27 -0.68 1.77 2.04 -0.64 0.37 117.51 122.05 1n62 h ILE 110 Ca 0.09 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1n62 h ILE 110 Cb 0.47 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1n62 h ILE 110 CO 0.02 0.39 0.19 0.24 0.00 0.00 0.00 178.15 178.99 1n62 h MET 111 N 0.68 1.08 -0.55 2.37 2.86 -0.82 0.14 114.93 120.68 1n62 h MET 111 Ca 0.12 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1n62 h MET 111 Cb 0.56 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1n62 h MET 111 CO 0.03 0.94 0.25 -0.09 1.06 0.00 0.00 176.91 179.11 1n62 h ARG 112 N 1.01 0.81 -0.26 1.72 9.65 -0.88 -2.96 114.38 123.47 1n62 h ARG 112 Ca 0.22 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.89 1n62 h ARG 112 Cb 0.33 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1n62 h ARG 112 CO -0.00 0.68 -0.18 0.77 2.80 0.00 0.00 179.97 184.03 1n62 h SER 113 N 0.75 0.45 -0.62 -3.80 0.02 -0.40 0.52 113.55 110.47 1n62 h SER 113 Ca 0.19 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 1n62 h SER 113 Cb 0.15 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 1n62 h SER 113 CO -0.02 0.65 0.24 -0.74 -1.14 0.00 0.00 176.83 175.82 1n62 h HIS 114 N 0.42 0.42 -0.08 3.45 -0.00 -0.57 -0.54 115.15 118.25 1n62 h HIS 114 Ca 0.07 0.03 -0.24 0.00 -0.00 0.00 0.00 60.37 60.23 1n62 h HIS 114 Cb 0.56 -0.10 0.02 0.00 -0.00 0.00 0.00 27.41 27.89 1n62 h HIS 114 CO 0.02 0.12 -0.90 -0.09 -0.00 0.00 0.00 177.93 177.07 1n62 h ARG 115 N 0.43 0.75 -0.59 5.26 9.65 -1.22 -2.99 114.38 125.67 1n62 h ARG 115 Ca 0.31 -0.70 0.11 0.00 -1.10 0.00 0.00 59.98 58.60 1n62 h ARG 115 Cb 0.37 0.17 -0.08 0.00 -1.39 0.00 0.00 29.97 29.04 1n62 h ARG 115 CO -0.30 1.29 0.13 1.25 2.80 0.00 0.00 179.97 185.14 1n62 h LEU 116 N 0.48 0.02 -0.23 3.80 5.85 -0.53 0.12 115.31 124.80 1n62 h LEU 116 Ca -0.09 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1n62 h LEU 116 Cb 1.54 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1n62 h LEU 116 CO 0.18 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 178.48 1n62 n LEU 117 N -5.12 0.55 0.11 2.25 4.77 -0.24 -0.42 117.00 118.90 1n62 n LEU 117 Ca 0.09 0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 56.46 1n62 n LEU 117 Cb 0.31 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1n62 n LEU 117 CO 0.18 -0.29 -0.16 1.56 -1.33 0.00 0.00 177.39 177.35 1n62 h GLN 118 N 0.00 0.35 -0.66 3.23 4.20 -1.08 -2.82 115.11 118.33 1n62 h GLN 118 Ca 0.00 -0.60 -0.06 0.00 0.06 0.00 0.00 58.65 58.05 1n62 h GLN 118 Cb 0.52 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1n62 h GLN 118 CO 0.00 1.27 0.15 0.93 -0.67 0.00 0.00 178.83 180.52 1n62 h GLU 119 N 0.10 1.05 -1.62 1.46 5.08 0.00 -3.40 114.58 117.24 1n62 h GLU 119 Ca -0.19 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 57.71 1n62 h GLU 119 Cb 2.04 -0.14 -0.27 0.00 0.50 0.00 0.00 28.75 30.88 1n62 h GLU 119 CO 0.22 0.93 -0.56 1.21 -1.00 0.00 0.00 179.01 179.80 1n62 s ASN 120 N -6.50 0.20 0.57 1.42 3.84 0.44 -5.02 114.94 109.89 1n62 s ASN 120 Ca -0.11 -0.83 0.35 0.00 0.21 0.00 0.00 52.86 52.48 1n62 s ASN 120 Cb 0.15 1.13 1.67 0.00 -0.55 0.00 0.00 41.25 43.64 1n62 s ASN 120 CO 0.83 -0.29 2.11 -0.65 -2.79 0.00 0.00 177.10 176.32 1n62 h PRO 121 N 7.58 0.00 -2.17 0.43 0.11 -1.72 -3.31 132.00 132.92 1n62 h PRO 121 Ca -0.01 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.52 1n62 h PRO 121 Cb 1.11 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 1n62 h PRO 121 CO 0.21 0.04 -0.86 0.43 -0.21 0.00 0.00 178.00 177.61 1n62 n SER 122 N -3.24 1.72 -4.82 -2.05 7.64 -1.26 -4.82 113.62 106.78 1n62 n SER 122 Ca -0.01 -3.00 -0.35 0.00 1.01 0.00 0.00 58.87 56.52 1n62 n SER 122 Cb 0.23 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.72 1n62 n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n62 s PRO 123 N -1.62 4.21 0.96 1.43 0.04 -1.24 -5.07 135.00 133.71 1n62 s PRO 123 Ca 0.36 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1n62 s PRO 123 Cb 0.14 -2.73 0.16 0.00 0.04 0.00 0.00 34.50 32.11 1n62 s PRO 123 CO -0.08 0.31 1.11 0.95 0.04 0.00 0.00 177.00 179.33 1n62 s THR 124 N -1.67 2.13 0.21 1.26 -4.23 -1.26 -4.80 115.64 107.28 1n62 s THR 124 Ca 0.47 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1n62 s THR 124 Cb -0.15 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.22 1n62 s THR 124 CO 0.20 -0.05 1.88 -0.08 -0.54 0.00 0.00 174.62 176.02 1n62 h GLU 125 N -1.71 0.98 -0.77 3.99 4.81 -1.98 0.12 114.58 120.02 1n62 h GLU 125 Ca -0.53 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.61 1n62 h GLU 125 Cb 1.33 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1n62 h GLU 125 CO 0.59 0.65 0.34 0.00 -0.73 0.00 0.00 179.01 179.86 1n62 h ALA 126 N 1.28 1.15 -0.56 2.92 0.00 -1.99 0.61 119.26 122.67 1n62 h ALA 126 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1n62 h ALA 126 Cb -0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1n62 h ALA 126 CO -0.07 0.63 0.09 0.93 0.00 0.00 0.00 179.25 180.83 1n62 h GLU 127 N 1.10 0.90 0.11 0.00 5.08 -1.73 -1.41 114.58 118.63 1n62 h GLU 127 Ca 0.26 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1n62 h GLU 127 Cb 0.15 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1n62 h GLU 127 CO -0.03 0.84 -0.05 0.82 -1.00 0.00 0.00 179.01 179.59 1n62 h ILE 128 N 0.86 1.03 -0.38 3.13 2.04 0.14 0.16 117.51 124.48 1n62 h ILE 128 Ca 0.18 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1n62 h ILE 128 Cb 0.38 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1n62 h ILE 128 CO 0.01 0.14 0.23 0.03 0.00 0.00 0.00 178.15 178.56 1n62 h ARG 129 N -0.41 0.51 -0.64 2.37 3.08 -0.78 -0.28 114.38 118.23 1n62 h ARG 129 Ca -0.02 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1n62 h ARG 129 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1n62 h ARG 129 CO 0.03 0.38 0.11 0.35 -1.07 0.00 0.00 179.97 179.76 1n62 h PHE 130 N 0.50 1.10 0.00 3.04 3.57 -1.29 -2.79 116.94 121.07 1n62 h PHE 130 Ca 0.14 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1n62 h PHE 130 Cb -0.01 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1n62 h PHE 130 CO -0.04 0.93 0.00 0.78 -2.23 0.00 0.00 178.31 177.75 1n62 h GLY 131 N 1.04 0.00 -1.58 2.40 0.00 0.40 -1.37 103.07 103.96 1n62 h GLY 131 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1n62 h GLY 131 CO 0.01 0.00 -0.00 0.29 0.00 0.00 0.00 176.54 176.84 1n62 n ILE 132 N -2.38 2.30 0.32 2.60 -5.35 -0.22 -4.75 119.36 111.89 1n62 n ILE 132 Ca 0.02 -1.98 0.21 0.00 -0.27 0.00 0.00 62.75 60.72 1n62 n ILE 132 Cb 0.22 -0.26 1.07 0.00 -1.74 0.00 0.00 39.64 38.93 1n62 n ILE 132 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n62 h GLY 133 N 1.63 0.00 0.60 3.28 0.00 -0.99 -1.10 103.07 106.48 1n62 h GLY 133 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1n62 h GLY 133 CO 0.24 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1n62 n GLY 134 N -0.80 -0.77 3.09 4.60 0.00 -1.26 -4.78 105.19 105.26 1n62 n GLY 134 Ca -0.02 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1n62 n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n62 s ASN 135 N -1.91 3.28 0.07 1.61 -0.87 -0.42 -2.76 114.94 113.94 1n62 s ASN 135 Ca 0.42 -0.75 -0.16 0.00 -1.57 0.00 0.00 52.86 50.80 1n62 s ASN 135 Cb 0.20 -1.44 -0.06 0.00 -0.02 0.00 0.00 41.25 39.93 1n62 s ASN 135 CO 0.33 -0.04 0.50 -0.76 -2.57 0.00 0.00 177.10 174.56 1n62 s LEU 136 N 1.29 4.44 -0.04 0.60 1.43 0.69 -4.98 118.68 122.12 1n62 s LEU 136 Ca 0.03 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1n62 s LEU 136 Cb -0.14 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1n62 s LEU 136 CO -0.11 0.23 -0.13 0.00 0.23 0.00 0.00 176.35 176.57 1n62 h ARG 138 N 6.46 0.00 0.06 0.00 2.47 -2.01 -3.43 114.38 117.93 1n62 h ARG 138 Ca -0.33 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.02 1n62 h ARG 138 Cb 1.18 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 1n62 h ARG 138 CO 0.48 0.19 -2.23 0.00 0.56 0.00 0.00 179.97 178.97 1n62 n THR 140 N -3.34 0.31 -1.49 0.00 -2.24 -1.26 -4.95 114.28 101.31 1n62 n THR 140 Ca -0.38 -0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 60.72 1n62 n THR 140 Cb 1.02 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 1n62 n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n62 n GLY 141 N 1.22 1.67 4.54 3.38 0.00 -1.26 -3.94 105.19 110.80 1n62 n GLY 141 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1n62 n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n62 n TYR 142 N -2.45 0.00 -0.13 1.61 4.01 -1.26 -4.77 117.16 114.16 1n62 n TYR 142 Ca -0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.49 1n62 n TYR 142 Cb 0.58 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 39.41 1n62 n TYR 142 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1n62 h GLN 143 N 0.36 0.54 0.00 -0.72 4.15 -1.99 -0.31 115.11 117.14 1n62 h GLN 143 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1n62 h GLN 143 Cb 0.00 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1n62 h GLN 143 CO 0.00 0.36 -0.06 -0.91 -1.93 0.00 0.00 178.83 176.29 1n62 h ASN 144 N 0.56 0.00 -0.32 -0.69 2.35 -1.85 -2.52 115.58 113.12 1n62 h ASN 144 Ca 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1n62 h ASN 144 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1n62 h ASN 144 CO -0.04 0.06 -0.14 0.40 -1.65 0.00 0.00 177.43 176.06 1n62 h ILE 145 N 0.00 1.29 -0.57 2.81 2.04 -1.38 0.11 117.51 121.82 1n62 h ILE 145 Ca -0.00 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.69 1n62 h ILE 145 Cb 0.80 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 1n62 h ILE 145 CO 0.01 0.40 0.24 0.58 0.00 0.00 0.00 178.15 179.38 1n62 h VAL 146 N 0.42 0.85 -0.88 1.67 2.07 -0.93 -0.68 116.25 118.77 1n62 h VAL 146 Ca 0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1n62 h VAL 146 Cb 0.67 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1n62 h VAL 146 CO 0.04 0.08 0.58 0.11 0.02 0.00 0.00 177.57 178.41 1n62 h LYS 147 N 0.45 1.14 -0.76 1.57 1.57 -1.15 -0.12 116.57 119.28 1n62 h LYS 147 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1n62 h LYS 147 Cb 0.27 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1n62 h LYS 147 CO -0.24 0.76 0.42 0.00 -0.57 0.00 0.00 179.45 179.82 1n62 h ALA 148 N 1.33 0.97 -0.34 3.86 0.00 0.05 0.77 119.26 125.90 1n62 h ALA 148 Ca 0.33 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1n62 h ALA 148 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1n62 h ALA 148 CO -0.08 0.48 -0.33 0.82 0.00 0.00 0.00 179.25 180.14 1n62 h ILE 149 N 1.05 1.29 -0.71 0.00 2.04 -0.65 -0.56 117.51 119.98 1n62 h ILE 149 Ca 0.27 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 1n62 h ILE 149 Cb 0.03 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1n62 h ILE 149 CO -0.04 0.49 0.42 1.56 0.00 0.00 0.00 178.15 180.58 1n62 h GLN 150 N 0.60 0.96 -0.35 2.37 4.20 -0.78 -0.12 115.11 122.00 1n62 h GLN 150 Ca 0.05 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1n62 h GLN 150 Cb 0.91 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1n62 h GLN 150 CO 0.08 0.68 0.21 -0.92 -0.67 0.00 0.00 178.83 178.22 1n62 h TYR 151 N 0.96 0.46 -0.67 2.96 5.03 -0.59 -0.97 116.97 124.15 1n62 h TYR 151 Ca 0.25 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.55 1n62 h TYR 151 Cb -0.03 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.07 1n62 h TYR 151 CO -0.01 0.32 0.34 0.00 -1.32 0.00 0.00 178.16 177.50 1n62 h ALA 152 N 1.10 0.86 -0.79 1.82 0.00 -0.75 -1.26 119.26 120.24 1n62 h ALA 152 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n62 h ALA 152 Cb -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1n62 h ALA 152 CO -0.02 0.40 0.52 0.00 0.00 0.00 0.00 179.25 180.15 1n62 h ALA 153 N 1.16 1.00 -0.74 0.00 0.00 -0.69 0.19 119.26 120.19 1n62 h ALA 153 Ca 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1n62 h ALA 153 Cb 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1n62 h ALA 153 CO -0.03 0.40 0.33 0.00 0.00 0.00 0.00 179.25 179.94 1n62 h ALA 154 N 1.29 0.95 -0.24 0.00 0.00 -0.70 0.19 119.26 120.76 1n62 h ALA 154 Ca 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1n62 h ALA 154 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1n62 h ALA 154 CO -0.07 0.54 0.03 0.87 0.00 0.00 0.00 179.25 180.62 1n62 h LYS 155 N 1.04 0.40 -0.79 0.00 1.79 -0.46 -1.96 116.57 116.59 1n62 h LYS 155 Ca 0.25 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1n62 h LYS 155 Cb 0.16 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1n62 h LYS 155 CO -0.03 0.54 0.43 0.82 -1.08 0.00 0.00 179.45 180.13 1n62 h ILE 156 N 0.20 1.24 0.00 1.86 2.04 -0.38 -2.47 117.51 119.99 1n62 h ILE 156 Ca 0.07 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1n62 h ILE 156 Cb 0.34 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1n62 h ILE 156 CO 0.01 0.27 0.00 0.59 0.00 0.00 0.00 178.15 179.01 1n62 n ASN 157 N -4.42 0.24 0.01 1.72 3.02 0.66 -1.63 115.26 114.86 1n62 n ASN 157 Ca 0.07 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 1n62 n ASN 157 Cb 0.10 -0.59 0.20 0.00 -0.61 0.00 0.00 39.78 38.87 1n62 n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n62 n GLY 158 N 1.11 -1.25 0.06 7.41 0.00 -0.75 -4.53 105.19 107.24 1n62 n GLY 158 Ca 0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1n62 n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n62 h VAL 159 N 0.00 1.37 0.00 1.61 2.07 -1.09 -3.51 116.25 116.71 1n62 h VAL 159 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1n62 h VAL 159 Cb 0.55 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1n62 h VAL 159 CO 0.00 0.29 0.00 -2.65 0.02 0.00 0.00 177.57 175.23