#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n63 s ALA 4 N 0.00 3.78 -0.13 7.82 0.00 0.63 -4.81 121.76 129.06 1n63 s ALA 4 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 1n63 s ALA 4 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 1n63 s ALA 4 CO 0.00 0.57 0.62 -1.58 0.00 0.00 0.00 175.76 175.37 1n63 s HIS 5 N -1.18 3.49 0.21 0.00 2.46 -1.26 -0.42 115.29 118.58 1n63 s HIS 5 Ca 0.24 1.04 0.10 0.00 0.47 0.00 0.00 55.06 56.92 1n63 s HIS 5 Cb -0.14 -2.73 -0.04 0.00 -0.13 0.00 0.00 32.58 29.53 1n63 s HIS 5 CO 0.13 0.02 -0.20 0.96 -2.47 0.00 0.00 174.74 173.17 1n63 s ILE 6 N 1.15 2.16 -0.03 0.89 -4.36 0.03 -5.00 121.20 116.04 1n63 s ILE 6 Ca 0.31 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1n63 s ILE 6 Cb -0.16 -2.07 0.03 0.00 1.25 0.00 0.00 42.46 41.51 1n63 s ILE 6 CO 0.13 -0.29 0.05 -1.61 0.24 0.00 0.00 174.94 173.46 1n63 s GLU 7 N -2.99 -0.03 0.09 0.37 2.02 -1.26 -1.69 118.70 115.21 1n63 s GLU 7 Ca 0.21 0.23 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1n63 s GLU 7 Cb -0.06 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.91 1n63 s GLU 7 CO 0.10 -0.19 0.13 1.47 0.02 0.00 0.00 175.26 176.79 1n63 n LEU 8 N 4.31 0.00 -4.10 1.80 -0.00 -0.38 0.02 117.00 118.66 1n63 n LEU 8 Ca -0.25 -0.67 -0.27 0.00 -0.00 0.00 0.00 56.01 54.82 1n63 n LEU 8 Cb 0.50 0.68 -0.17 0.00 -0.00 0.00 0.00 43.42 44.44 1n63 n LEU 8 CO 0.20 -0.17 -0.50 -0.89 -0.00 0.00 0.00 177.39 176.03 1n63 s THR 9 N -2.58 1.42 -0.08 1.47 2.01 -0.47 -0.57 115.64 116.84 1n63 s THR 9 Ca 0.06 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1n63 s THR 9 Cb -0.00 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1n63 s THR 9 CO 0.05 0.42 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 1n63 s ILE 10 N 0.42 1.21 -1.46 1.82 1.01 -0.37 -0.62 121.20 123.22 1n63 s ILE 10 Ca -0.13 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1n63 s ILE 10 Cb -0.15 -1.11 0.12 0.00 0.01 0.00 0.00 42.46 41.33 1n63 s ILE 10 CO 0.04 0.38 0.62 0.59 0.00 0.00 0.00 174.94 176.57 1n63 n ASN 11 N 3.94 -3.24 0.00 3.58 5.03 0.01 -1.26 115.26 123.31 1n63 n ASN 11 Ca -0.21 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 54.53 1n63 n ASN 11 Cb 0.52 -2.68 0.00 0.00 -1.02 0.00 0.00 39.78 36.59 1n63 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n63 n GLY 12 N -1.23 1.45 3.71 7.41 0.00 -1.26 -4.98 105.19 110.29 1n63 n GLY 12 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1n63 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n63 s HIS 13 N -2.68 3.20 0.45 1.61 3.76 -0.39 -5.08 115.29 116.15 1n63 s HIS 13 Ca 0.00 0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 54.87 1n63 s HIS 13 Cb 0.00 -1.78 -0.08 0.00 1.11 0.00 0.00 32.58 31.83 1n63 s HIS 13 CO 0.00 0.50 1.37 -2.14 -0.85 0.00 0.00 174.74 173.62 1n63 s PRO 14 N -1.09 3.69 -0.02 8.40 0.02 -1.26 -1.23 135.00 143.51 1n63 s PRO 14 Ca 0.15 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.51 1n63 s PRO 14 Cb -0.11 -2.62 -0.00 0.00 0.02 0.00 0.00 34.50 31.78 1n63 s PRO 14 CO 0.05 -0.77 -0.11 0.08 -0.33 0.00 0.00 177.00 175.91 1n63 s VAL 15 N -1.24 0.91 0.01 3.83 1.01 0.27 -4.88 120.40 120.30 1n63 s VAL 15 Ca 0.61 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1n63 s VAL 15 Cb -0.41 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1n63 s VAL 15 CO 0.52 0.27 -0.06 -1.83 0.00 0.00 0.00 175.10 174.00 1n63 s GLU 16 N -0.11 0.48 0.17 2.72 -1.05 -1.26 -1.25 118.70 118.40 1n63 s GLU 16 Ca 0.02 -0.35 -0.21 0.00 -0.15 0.00 0.00 54.97 54.28 1n63 s GLU 16 Cb -0.06 -0.41 0.05 0.00 -0.44 0.00 0.00 34.13 33.27 1n63 s GLU 16 CO 0.00 0.11 0.57 0.00 0.95 0.00 0.00 175.26 176.88 1n63 s ALA 17 N -0.46 -1.35 -0.20 -0.84 0.00 -0.68 -5.00 121.76 113.24 1n63 s ALA 17 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1n63 s ALA 17 Cb -0.04 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1n63 s ALA 17 CO -0.00 -0.78 -0.02 -0.51 0.00 0.00 0.00 175.76 174.45 1n63 s LEU 18 N -2.80 3.17 0.09 0.00 1.43 -1.26 -0.79 118.68 118.53 1n63 s LEU 18 Ca 0.04 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1n63 s LEU 18 Cb -0.01 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1n63 s LEU 18 CO -0.09 0.07 -0.16 0.68 0.23 0.00 0.00 176.35 177.08 1n63 s VAL 19 N 0.98 1.32 0.39 -1.59 -7.23 0.44 -4.90 120.40 109.82 1n63 s VAL 19 Ca 0.01 -1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 1n63 s VAL 19 Cb -0.14 -1.31 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1n63 s VAL 19 CO 0.01 -0.24 1.20 -1.61 -0.31 0.00 0.00 175.10 174.16 1n63 s GLU 20 N -2.03 4.08 0.54 4.82 2.02 -1.26 -0.27 118.70 126.60 1n63 s GLU 20 Ca 0.03 1.93 0.21 0.00 0.02 0.00 0.00 54.97 57.16 1n63 s GLU 20 Cb -0.09 -2.74 1.39 0.00 0.10 0.00 0.00 34.13 32.80 1n63 s GLU 20 CO 0.03 -0.33 2.11 -1.35 0.02 0.00 0.00 175.26 175.74 1n63 h PRO 21 N 2.74 0.00 0.00 0.39 0.11 -1.97 -1.91 132.00 131.36 1n63 h PRO 21 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n63 h PRO 21 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1n63 h PRO 21 CO 0.63 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.31 1n63 n ARG 22 N -4.36 0.11 -1.79 1.05 1.85 -1.26 -4.59 116.66 107.67 1n63 n ARG 22 Ca 0.01 0.11 -0.42 0.00 -1.00 0.00 0.00 57.85 56.56 1n63 n ARG 22 Cb 0.27 -1.63 -0.03 0.00 -1.05 0.00 0.00 32.46 30.02 1n63 n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n63 s THR 23 N -3.05 3.02 0.49 8.89 2.01 -0.72 -4.95 115.64 121.33 1n63 s THR 23 Ca 0.12 0.24 -0.22 0.00 0.31 0.00 0.00 61.69 62.14 1n63 s THR 23 Cb 0.16 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.44 1n63 s THR 23 CO 0.54 -0.01 1.15 -0.76 -0.69 0.00 0.00 174.62 174.85 1n63 s LEU 24 N 3.68 3.93 0.26 4.42 1.43 -1.26 -0.92 118.68 130.22 1n63 s LEU 24 Ca 0.81 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 56.15 1n63 s LEU 24 Cb -0.41 -4.35 0.39 0.00 0.03 0.00 0.00 46.19 41.85 1n63 s LEU 24 CO 0.37 -1.01 1.88 0.25 0.23 0.00 0.00 176.35 178.07 1n63 h LEU 25 N 1.78 1.03 -1.20 1.79 5.85 -0.62 -1.07 115.31 122.88 1n63 h LEU 25 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1n63 h LEU 25 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1n63 h LEU 25 CO 0.59 0.66 0.50 -0.29 -0.34 0.00 0.00 178.44 179.57 1n63 h ILE 26 N 1.17 1.21 0.00 4.05 6.09 -1.46 0.22 117.51 128.79 1n63 h ILE 26 Ca 0.43 -0.40 -0.27 0.00 -1.37 0.00 0.00 64.86 63.25 1n63 h ILE 26 Cb 0.15 0.07 0.02 0.00 0.47 0.00 0.00 36.82 37.53 1n63 h ILE 26 CO -0.17 0.20 -1.04 0.45 -3.07 0.00 0.00 178.15 174.53 1n63 h HIS 27 N 1.06 1.04 -0.89 2.19 3.86 -1.55 -1.32 115.15 119.55 1n63 h HIS 27 Ca 0.28 -0.57 0.03 0.00 -1.16 0.00 0.00 60.37 58.95 1n63 h HIS 27 Cb -0.10 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.20 1n63 h HIS 27 CO 0.00 1.41 0.58 0.35 0.86 0.00 0.00 177.93 181.13 1n63 h PHE 28 N 0.39 1.10 -0.01 2.45 3.57 -0.74 0.22 116.94 123.92 1n63 h PHE 28 Ca -0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1n63 h PHE 28 Cb 1.69 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 1n63 h PHE 28 CO 0.10 0.65 0.00 0.82 -2.23 0.00 0.00 178.31 177.66 1n63 h ILE 29 N 1.15 1.24 -0.02 1.41 2.04 -0.86 -1.06 117.51 121.42 1n63 h ILE 29 Ca 0.35 -0.72 -0.26 0.00 1.00 0.00 0.00 64.86 65.23 1n63 h ILE 29 Cb -0.05 1.72 0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1n63 h ILE 29 CO -0.10 0.19 -1.01 0.03 0.00 0.00 0.00 178.15 177.26 1n63 h ARG 30 N -0.29 0.70 0.00 2.37 3.08 -1.14 -0.97 114.38 118.13 1n63 h ARG 30 Ca 0.00 -0.72 -0.18 0.00 0.07 0.00 0.00 59.98 59.14 1n63 h ARG 30 Cb 0.31 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1n63 h ARG 30 CO 0.00 1.31 -1.29 0.39 -1.07 0.00 0.00 179.97 179.30 1n63 n GLU 31 N -3.86 0.53 0.13 0.04 -0.58 0.77 -2.94 120.64 114.74 1n63 n GLU 31 Ca -0.10 0.44 -0.22 0.00 -0.42 0.00 0.00 57.16 56.86 1n63 n GLU 31 Cb 0.86 -1.63 -0.15 0.00 -0.57 0.00 0.00 31.44 29.95 1n63 n GLU 31 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1n63 h GLN 32 N -1.00 0.47 0.00 3.49 7.50 -1.40 -3.36 115.11 120.81 1n63 h GLN 32 Ca -0.28 -0.79 0.00 0.00 0.50 0.00 0.00 58.65 58.08 1n63 h GLN 32 Cb 1.11 0.29 0.00 0.00 0.05 0.00 0.00 27.48 28.93 1n63 h GLN 32 CO -0.17 1.38 -0.70 1.04 -1.50 0.00 0.00 178.83 178.88 1n63 n GLN 33 N -3.67 0.14 -2.27 1.46 1.13 -0.46 -4.95 117.38 108.76 1n63 n GLN 33 Ca -0.14 0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.74 1n63 n GLN 33 Cb 1.08 -1.57 -0.02 0.00 0.11 0.00 0.00 30.24 29.84 1n63 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n63 n ASN 34 N -1.76 -5.61 -4.36 1.08 3.02 -1.02 -4.91 115.26 101.70 1n63 n ASN 34 Ca 0.04 0.05 -0.45 0.00 -0.03 0.00 0.00 54.58 54.18 1n63 n ASN 34 Cb 0.39 -4.66 -0.01 0.00 -0.61 0.00 0.00 39.78 34.88 1n63 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n63 s LEU 35 N -5.51 6.21 -0.04 3.41 1.43 -0.40 -4.89 118.68 118.89 1n63 s LEU 35 Ca 0.00 -3.19 0.09 0.00 -1.03 0.00 0.00 54.13 50.00 1n63 s LEU 35 Cb 0.00 -2.25 0.32 0.00 0.03 0.00 0.00 46.19 44.29 1n63 s LEU 35 CO 0.00 -0.47 1.19 0.35 0.23 0.00 0.00 176.35 177.65 1n63 n THR 36 N 3.45 0.71 0.03 5.49 -2.24 -1.26 -3.90 114.28 116.55 1n63 n THR 36 Ca 0.23 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1n63 n THR 36 Cb 0.42 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.59 1n63 n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n63 h GLY 37 N 5.04 -0.04 -4.24 3.38 0.00 -1.96 -3.43 103.07 101.83 1n63 h GLY 37 Ca 0.00 0.01 -0.53 0.00 0.00 0.00 0.00 47.33 46.81 1n63 h GLY 37 CO 0.07 -0.01 0.86 0.00 0.00 0.00 0.00 176.54 177.46 1n63 s ALA 38 N -5.29 3.71 0.28 3.60 0.00 -1.26 -4.70 121.76 118.11 1n63 s ALA 38 Ca -0.14 1.55 0.10 0.00 0.00 0.00 0.00 51.96 53.47 1n63 s ALA 38 Cb 0.04 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1n63 s ALA 38 CO 0.66 -0.97 -0.15 -1.01 0.00 0.00 0.00 175.76 174.29 1n63 s HIS 39 N -0.16 2.19 -0.20 0.00 3.76 -1.01 -4.94 115.29 114.93 1n63 s HIS 39 Ca 0.61 -0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1n63 s HIS 39 Cb -0.47 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 1n63 s HIS 39 CO 0.50 0.58 -0.03 0.42 -0.85 0.00 0.00 174.74 175.36 1n63 s ILE 40 N -2.66 3.72 -0.16 0.60 1.01 -1.26 -1.66 121.20 120.79 1n63 s ILE 40 Ca 0.29 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1n63 s ILE 40 Cb -0.02 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1n63 s ILE 40 CO 0.14 0.44 0.18 0.61 0.00 0.00 0.00 174.94 176.31 1n63 n GLY 41 N 4.27 0.45 3.83 6.18 0.00 -1.26 -5.05 105.19 113.61 1n63 n GLY 41 Ca -0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1n63 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ASP 43 N -0.94 1.68 -0.05 0.00 5.68 -1.26 -4.76 116.55 116.89 1n63 n ASP 43 Ca -0.06 -2.70 0.00 0.00 -0.50 0.00 0.00 54.79 51.53 1n63 n ASP 43 Cb 0.60 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1n63 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1n63 n THR 44 N -0.99 0.24 -1.31 2.12 -2.24 -1.26 -5.03 114.28 105.81 1n63 n THR 44 Ca 0.11 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1n63 n THR 44 Cb 0.63 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.67 1n63 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n63 n SER 45 N -0.13 -2.83 -0.03 3.42 7.64 -1.26 -4.97 113.62 115.47 1n63 n SER 45 Ca 0.00 0.04 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 1n63 n SER 45 Cb 0.48 -0.97 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 1n63 n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n63 n HIS 46 N -3.21 1.03 0.10 1.43 8.25 -1.26 -4.68 115.22 116.88 1n63 n HIS 46 Ca -0.02 0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 57.64 1n63 n HIS 46 Cb 0.19 -1.13 -0.01 0.00 1.12 0.00 0.00 29.99 30.16 1n63 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n63 n GLY 48 N 1.08 0.31 0.29 0.00 0.00 -1.14 -0.83 105.19 104.90 1n63 n GLY 48 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.19 1n63 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 h ALA 49 N 0.00 1.05 -0.51 4.61 0.00 -1.88 -1.91 119.26 120.62 1n63 h ALA 49 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n63 h ALA 49 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1n63 h ALA 49 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1n63 s THR 51 N -1.76 3.16 0.25 0.00 2.01 -0.72 -2.71 115.64 115.86 1n63 s THR 51 Ca 0.40 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.33 1n63 s THR 51 Cb 0.26 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1n63 s THR 51 CO 0.20 0.09 -0.07 0.68 -0.69 0.00 0.00 174.62 174.82 1n63 s VAL 52 N 0.77 1.52 -0.25 3.82 -7.23 -0.31 -4.53 120.40 114.20 1n63 s VAL 52 Ca 0.63 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 1n63 s VAL 52 Cb -0.38 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1n63 s VAL 52 CO 0.33 -0.40 0.26 -0.62 -0.31 0.00 0.00 175.10 174.37 1n63 s ASP 53 N -3.37 6.19 -0.11 4.85 2.15 -0.59 -1.27 116.67 124.53 1n63 s ASP 53 Ca 0.27 0.21 -0.02 0.00 0.43 0.00 0.00 52.55 53.44 1n63 s ASP 53 Cb 0.03 -2.16 0.04 0.00 -0.30 0.00 0.00 42.92 40.53 1n63 s ASP 53 CO 0.09 -0.04 0.03 -0.22 -0.17 0.00 0.00 175.17 174.87 1n63 s LEU 54 N 1.45 0.57 -1.50 -1.34 0.20 0.45 -0.19 118.68 118.32 1n63 s LEU 54 Ca 0.11 -0.28 -0.02 0.00 0.69 0.00 0.00 54.13 54.63 1n63 s LEU 54 Cb -0.15 -0.38 0.02 0.00 -0.43 0.00 0.00 46.19 45.26 1n63 s LEU 54 CO 0.08 -0.25 0.28 0.47 -0.29 0.00 0.00 176.35 176.64 1n63 n ASP 55 N 5.18 -0.07 -0.04 3.68 8.00 -0.36 -1.14 116.55 131.81 1n63 n ASP 55 Ca -0.07 -1.12 -0.01 0.00 0.71 0.00 0.00 54.79 54.30 1n63 n ASP 55 Cb 0.49 -2.40 -0.00 0.00 -0.02 0.00 0.00 41.12 39.19 1n63 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n63 n GLY 56 N -2.15 0.47 3.23 0.44 0.00 -1.26 -5.02 105.19 100.90 1n63 n GLY 56 Ca -0.28 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1n63 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n63 s MET 57 N -0.85 1.03 -0.31 1.61 -1.94 -0.29 -5.08 119.30 113.46 1n63 s MET 57 Ca 0.00 -1.05 -0.23 0.00 -1.71 0.00 0.00 55.69 52.71 1n63 s MET 57 Cb 0.00 -1.17 0.00 0.00 2.01 0.00 0.00 34.83 35.67 1n63 s MET 57 CO 0.00 0.27 0.76 -1.12 -0.01 0.00 0.00 175.02 174.93 1n63 s SER 58 N -1.74 6.62 -0.03 3.03 0.01 -1.26 -0.42 113.70 119.92 1n63 s SER 58 Ca 0.03 0.59 0.06 0.00 1.31 0.00 0.00 55.95 57.94 1n63 s SER 58 Cb -0.10 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1n63 s SER 58 CO 0.03 -0.61 -0.21 -0.69 0.41 0.00 0.00 173.24 172.18 1n63 s VAL 59 N 2.92 1.66 -0.65 3.43 1.01 -0.39 -4.98 120.40 123.40 1n63 s VAL 59 Ca 0.31 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 1n63 s VAL 59 Cb -0.14 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1n63 s VAL 59 CO 0.13 0.47 1.22 -0.54 0.00 0.00 0.00 175.10 176.37 1n63 s LYS 60 N -0.29 3.36 0.10 2.72 1.02 -1.26 -1.16 119.74 124.22 1n63 s LYS 60 Ca 0.03 -0.01 0.17 0.00 0.02 0.00 0.00 55.97 56.18 1n63 s LYS 60 Cb -0.10 -4.09 0.74 0.00 -0.52 0.00 0.00 37.83 33.85 1n63 s LYS 60 CO 0.01 -1.88 1.54 -1.13 -0.92 0.00 0.00 175.35 172.96 1n63 n SER 61 N 8.79 0.25 0.00 2.83 3.41 -1.10 -0.90 113.62 126.90 1n63 n SER 61 Ca 0.06 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 1n63 n SER 61 Cb 0.49 -0.61 0.82 0.00 -0.26 0.00 0.00 64.21 64.64 1n63 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n63 n THR 63 N -1.01 1.87 -3.64 0.00 -1.04 -0.08 -4.92 114.28 105.47 1n63 n THR 63 Ca 0.21 -3.34 -0.15 0.00 -2.04 0.00 0.00 64.05 58.72 1n63 n THR 63 Cb 0.10 -0.12 -0.08 0.00 -1.82 0.00 0.00 70.33 68.41 1n63 n THR 63 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n63 s MET 64 N -3.17 0.81 0.23 -2.82 0.00 -1.24 -4.99 119.30 108.11 1n63 s MET 64 Ca 0.41 0.38 -0.11 0.00 0.00 0.00 0.00 55.69 56.36 1n63 s MET 64 Cb 0.38 0.38 -0.07 0.00 0.00 0.00 0.00 34.83 35.51 1n63 s MET 64 CO -0.03 -0.19 0.58 -0.06 0.00 0.00 0.00 175.02 175.32 1n63 s PHE 65 N -0.60 3.46 0.43 4.11 0.08 -1.26 -0.38 117.98 123.81 1n63 s PHE 65 Ca -0.07 0.96 0.15 0.00 0.12 0.00 0.00 56.93 58.09 1n63 s PHE 65 Cb -0.03 -2.32 1.04 0.00 -0.57 0.00 0.00 43.02 41.14 1n63 s PHE 65 CO 0.05 0.28 1.95 0.00 -0.10 0.00 0.00 175.22 177.40 1n63 h ALA 66 N 2.72 2.07 0.00 5.36 0.00 -1.25 0.82 119.26 128.97 1n63 h ALA 66 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1n63 h ALA 66 Cb 1.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n63 h ALA 66 CO 0.68 -0.23 -0.15 -0.39 0.00 0.00 0.00 179.25 179.16 1n63 h VAL 67 N 0.41 0.95 0.00 0.00 -1.51 -1.81 0.21 116.25 114.50 1n63 h VAL 67 Ca 0.32 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1n63 h VAL 67 Cb 0.70 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1n63 h VAL 67 CO -0.10 0.15 0.00 1.56 -1.23 0.00 0.00 177.57 177.95 1n63 h GLN 68 N 0.00 0.00 -0.11 5.19 4.20 -1.20 -2.89 115.11 120.30 1n63 h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n63 h GLN 68 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1n63 h GLN 68 CO 0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 1n63 n ALA 69 N -2.07 2.54 -1.68 3.87 0.00 0.06 -4.90 120.51 118.32 1n63 n ALA 69 Ca 0.01 -0.49 -0.45 0.00 0.00 0.00 0.00 53.44 52.50 1n63 n ALA 69 Cb 0.31 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1n63 n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n63 n ASN 70 N 0.26 3.28 0.00 0.00 5.15 -1.09 -1.29 115.26 121.57 1n63 n ASN 70 Ca 0.17 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 1n63 n ASN 70 Cb 0.34 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1n63 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n63 n GLY 71 N 3.43 2.50 3.81 8.20 0.00 0.10 -4.98 105.19 118.25 1n63 n GLY 71 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1n63 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 72 N -2.29 2.37 -0.23 4.61 0.00 -0.41 -4.84 121.76 120.97 1n63 s ALA 72 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1n63 s ALA 72 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1n63 s ALA 72 CO 0.00 -1.59 -0.07 0.45 0.00 0.00 0.00 175.76 174.55 1n63 s SER 73 N -3.88 4.15 -0.00 0.00 0.15 -1.26 -1.37 113.70 111.49 1n63 s SER 73 Ca 0.60 -0.73 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1n63 s SER 73 Cb -0.14 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1n63 s SER 73 CO 0.54 -0.09 -0.11 -0.63 1.20 0.00 0.00 173.24 174.16 1n63 s ILE 74 N 1.36 3.33 -0.11 6.45 1.01 0.21 -1.22 121.20 132.22 1n63 s ILE 74 Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1n63 s ILE 74 Cb -0.16 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.92 1n63 s ILE 74 CO -0.05 0.43 -0.20 -0.89 0.00 0.00 0.00 174.94 174.23 1n63 s THR 75 N -0.92 1.82 0.55 2.92 2.01 0.73 -0.81 115.64 121.95 1n63 s THR 75 Ca 0.15 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1n63 s THR 75 Cb -0.11 -1.61 0.05 0.00 0.01 0.00 0.00 72.50 70.83 1n63 s THR 75 CO 0.05 0.51 0.47 0.42 -0.69 0.00 0.00 174.62 175.38 1n63 s THR 76 N 0.71 1.72 0.46 -0.82 -4.23 -1.26 -1.55 115.64 110.67 1n63 s THR 76 Ca -0.11 -1.41 0.13 0.00 -1.18 0.00 0.00 61.69 59.12 1n63 s THR 76 Cb -0.16 -2.13 0.23 0.00 1.34 0.00 0.00 72.50 71.77 1n63 s THR 76 CO 0.02 0.00 2.05 -0.29 -0.54 0.00 0.00 174.62 175.86 1n63 h ILE 77 N 0.65 1.08 0.00 2.99 6.09 -1.91 0.48 117.51 126.89 1n63 h ILE 77 Ca -0.36 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 62.81 1n63 h ILE 77 Cb 1.30 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1n63 h ILE 77 CO 0.54 0.10 0.00 -0.33 -3.07 0.00 0.00 178.15 175.40 1n63 h GLU 78 N 0.13 0.00 -0.01 2.19 3.07 -1.98 -2.15 114.58 115.82 1n63 h GLU 78 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1n63 h GLU 78 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1n63 h GLU 78 CO 0.00 0.00 -0.15 0.41 -1.40 0.00 0.00 179.01 177.88 1n63 n GLY 79 N -0.77 -0.15 0.10 -3.84 0.00 0.16 -4.40 105.19 96.29 1n63 n GLY 79 Ca -0.02 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 1n63 n GLY 79 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n63 h MET 80 N 2.12 0.24 -7.10 1.61 2.86 -1.44 -3.46 114.93 109.75 1n63 h MET 80 Ca 0.00 -0.40 -0.50 0.00 -2.06 0.00 0.00 59.70 56.74 1n63 h MET 80 Cb 0.57 0.15 0.07 0.00 0.06 0.00 0.00 31.60 32.46 1n63 h MET 80 CO 0.00 1.19 0.42 0.00 1.06 0.00 0.00 176.91 179.58 1n63 s ALA 81 N -2.66 2.68 0.87 6.32 0.00 -1.26 -4.26 121.76 123.45 1n63 s ALA 81 Ca -0.03 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1n63 s ALA 81 Cb 0.07 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1n63 s ALA 81 CO 0.88 -0.80 1.10 0.00 0.00 0.00 0.00 175.76 176.94 1n63 s ALA 82 N -1.88 1.64 0.60 0.00 0.00 -0.03 -4.88 121.76 117.20 1n63 s ALA 82 Ca 0.71 0.14 0.29 0.00 0.00 0.00 0.00 51.96 53.11 1n63 s ALA 82 Cb -0.23 -3.26 1.63 0.00 0.00 0.00 0.00 23.12 21.26 1n63 s ALA 82 CO 0.28 -2.32 2.04 -1.35 0.00 0.00 0.00 175.76 174.42 1n63 h PRO 83 N -1.53 0.00 -0.10 0.00 0.11 -1.94 0.25 132.00 128.79 1n63 h PRO 83 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n63 h PRO 83 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1n63 h PRO 83 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 1n63 n ASP 84 N -3.70 1.27 0.00 -2.05 5.68 -1.26 -4.88 116.55 111.61 1n63 n ASP 84 Ca 0.03 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1n63 n ASP 84 Cb 0.41 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1n63 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n63 n GLY 85 N 1.08 2.03 3.75 6.12 0.00 0.89 -5.05 105.19 114.00 1n63 n GLY 85 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1n63 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n63 s THR 86 N -2.41 2.14 0.49 2.61 2.01 -1.25 -4.65 115.64 114.57 1n63 s THR 86 Ca 0.00 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.90 1n63 s THR 86 Cb 0.00 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 1n63 s THR 86 CO 0.00 0.02 1.15 -0.76 -0.69 0.00 0.00 174.62 174.34 1n63 s LEU 87 N -0.42 3.92 0.87 4.42 1.43 -1.26 -0.85 118.68 126.79 1n63 s LEU 87 Ca 0.63 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1n63 s LEU 87 Cb -0.47 -4.36 0.12 0.00 0.03 0.00 0.00 46.19 41.50 1n63 s LEU 87 CO 0.47 -1.03 1.11 -0.94 0.23 0.00 0.00 176.35 176.19 1n63 s SER 88 N -1.50 3.53 0.26 2.29 1.04 -1.26 -4.78 113.70 113.28 1n63 s SER 88 Ca 0.67 1.88 -0.03 0.00 0.48 0.00 0.00 55.95 58.95 1n63 s SER 88 Cb -0.27 -2.47 0.41 0.00 0.10 0.00 0.00 66.02 63.79 1n63 s SER 88 CO 0.32 -2.66 1.84 0.00 0.98 0.00 0.00 173.24 173.72 1n63 h ALA 89 N -1.56 1.29 -0.25 5.32 0.00 -1.94 -0.29 119.26 121.83 1n63 h ALA 89 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1n63 h ALA 89 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n63 h ALA 89 CO 0.48 0.26 0.09 -0.07 0.00 0.00 0.00 179.25 180.01 1n63 h LEU 90 N 0.97 0.35 -0.52 0.00 3.38 -1.91 0.58 115.31 118.17 1n63 h LEU 90 Ca 0.42 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1n63 h LEU 90 Cb 0.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1n63 h LEU 90 CO -0.21 0.44 0.31 1.56 0.09 0.00 0.00 178.44 180.63 1n63 h GLN 91 N 0.24 0.60 -0.65 1.13 4.20 -1.74 -0.57 115.11 118.32 1n63 h GLN 91 Ca 0.08 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1n63 h GLN 91 Cb 0.21 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1n63 h GLN 91 CO -0.00 0.40 0.15 1.49 -0.67 0.00 0.00 178.83 180.19 1n63 h GLU 92 N 0.62 1.04 -0.56 1.46 4.81 -0.96 -2.89 114.58 118.11 1n63 h GLU 92 Ca 0.21 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1n63 h GLU 92 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1n63 h GLU 92 CO -0.09 0.94 -0.09 0.78 -0.73 0.00 0.00 179.01 179.83 1n63 h GLY 93 N 0.97 1.12 1.09 1.92 0.00 -0.51 0.86 103.07 108.52 1n63 h GLY 93 Ca 0.20 -0.89 0.01 0.00 0.00 0.00 0.00 47.33 46.65 1n63 h GLY 93 CO 0.00 0.82 0.60 0.74 0.00 0.00 0.00 176.54 178.70 1n63 h PHE 94 N 0.92 1.13 -0.04 5.60 -1.00 -1.04 -0.29 116.94 122.21 1n63 h PHE 94 Ca 0.15 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1n63 h PHE 94 Cb 0.66 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 1n63 h PHE 94 CO 0.05 0.70 -0.04 -0.09 -1.61 0.00 0.00 178.31 177.31 1n63 h ARG 95 N 1.20 0.10 -0.73 1.51 2.43 -1.26 0.16 114.38 117.80 1n63 h ARG 95 Ca 0.34 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1n63 h ARG 95 Cb -0.11 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1n63 h ARG 95 CO -0.08 0.56 0.38 0.52 -1.51 0.00 0.00 179.97 179.84 1n63 h MET 96 N -0.34 1.01 -0.27 0.20 2.86 -0.63 -2.74 114.93 115.01 1n63 h MET 96 Ca 0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1n63 h MET 96 Cb 0.54 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1n63 h MET 96 CO 0.01 0.76 0.00 -1.33 1.06 0.00 0.00 176.91 177.41 1n63 n MET 97 N -4.35 2.12 -3.55 1.72 2.81 -0.14 -4.97 117.12 110.77 1n63 n MET 97 Ca 0.07 -1.69 -0.21 0.00 -1.81 0.00 0.00 57.70 54.06 1n63 n MET 97 Cb 0.11 -1.45 0.05 0.00 -0.71 0.00 0.00 33.22 31.22 1n63 n MET 97 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1n63 n HIS 98 N 0.92 -2.09 0.16 2.03 -0.00 -0.90 -4.78 115.22 110.56 1n63 n HIS 98 Ca 0.17 0.79 0.05 0.00 0.46 0.00 0.00 57.72 59.19 1n63 n HIS 98 Cb 0.47 -4.26 0.22 0.00 -0.12 0.00 0.00 29.99 26.31 1n63 n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n63 n GLY 99 N -1.44 1.87 3.31 1.57 0.00 0.50 -4.73 105.19 106.27 1n63 n GLY 99 Ca -0.20 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1n63 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n63 s LEU 100 N -1.39 0.44 0.00 0.99 2.34 -1.26 -4.63 118.68 115.17 1n63 s LEU 100 Ca 0.31 -0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.28 1n63 s LEU 100 Cb 0.21 1.77 0.00 0.00 -0.56 0.00 0.00 46.19 47.61 1n63 s LEU 100 CO 0.13 -0.78 0.00 0.00 -1.06 0.00 0.00 176.35 174.65 1n63 n GLN 101 N 0.05 0.00 0.26 1.48 6.02 -1.26 -4.85 117.38 119.08 1n63 n GLN 101 Ca -0.17 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 56.98 1n63 n GLN 101 Cb 0.62 0.00 0.58 0.00 1.02 0.00 0.00 30.24 32.46 1n63 n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n63 n GLY 103 N 0.23 0.89 0.11 0.00 0.00 -1.26 -4.94 105.19 100.22 1n63 n GLY 103 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1n63 n GLY 103 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n63 h TYR 104 N 0.00 0.28 0.00 1.61 3.20 -1.99 -2.86 116.97 117.21 1n63 h TYR 104 Ca 0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1n63 h TYR 104 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1n63 h TYR 104 CO 0.00 1.03 -0.33 0.00 -1.64 0.00 0.00 178.16 177.22 1n63 h THR 106 N 0.00 1.24 -0.23 0.00 2.02 -1.88 -0.70 112.91 113.35 1n63 h THR 106 Ca 0.00 -0.84 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1n63 h THR 106 Cb 0.55 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 1n63 h THR 106 CO 0.00 0.27 -0.19 -0.65 0.37 0.00 0.00 175.52 175.32 1n63 h PRO 107 N 0.27 -0.18 -0.72 6.66 0.11 -1.79 0.27 132.00 136.62 1n63 h PRO 107 Ca 0.08 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1n63 h PRO 107 Cb 0.37 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1n63 h PRO 107 CO 0.01 -0.12 0.41 0.78 -0.21 0.00 0.00 178.00 178.86 1n63 h GLY 108 N -0.19 1.06 0.86 -0.55 0.00 -1.59 -0.32 103.07 102.35 1n63 h GLY 108 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1n63 h GLY 108 CO -0.34 0.44 -0.11 1.98 0.00 0.00 0.00 176.54 178.51 1n63 h MET 109 N 1.01 0.52 -0.49 4.80 -1.53 -0.60 -0.40 114.93 118.23 1n63 h MET 109 Ca 0.26 -0.22 -0.11 0.00 -3.44 0.00 0.00 59.70 56.19 1n63 h MET 109 Cb 0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 1n63 h MET 109 CO -0.04 0.77 -0.12 0.82 0.14 0.00 0.00 176.91 178.47 1n63 h ILE 110 N 0.25 1.27 -0.32 1.77 2.04 -0.87 0.04 117.51 121.69 1n63 h ILE 110 Ca 0.06 -1.25 -0.14 0.00 1.00 0.00 0.00 64.86 64.53 1n63 h ILE 110 Cb 0.61 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1n63 h ILE 110 CO 0.03 0.43 -0.38 0.24 0.00 0.00 0.00 178.15 178.48 1n63 h MET 111 N 0.82 0.74 -0.30 2.37 2.86 -0.97 -0.05 114.93 120.39 1n63 h MET 111 Ca 0.13 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1n63 h MET 111 Cb 0.66 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1n63 h MET 111 CO 0.05 1.00 0.10 -0.09 1.06 0.00 0.00 176.91 179.02 1n63 h ARG 112 N 0.61 0.47 0.00 1.72 9.65 -0.99 -3.05 114.38 122.79 1n63 h ARG 112 Ca 0.05 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1n63 h ARG 112 Cb 0.93 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1n63 h ARG 112 CO 0.08 0.51 -0.15 0.77 2.80 0.00 0.00 179.97 183.99 1n63 h SER 113 N 0.33 0.00 -0.21 -3.80 0.02 -0.61 -0.56 113.55 108.73 1n63 h SER 113 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1n63 h SER 113 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1n63 h SER 113 CO -0.00 0.15 0.14 -0.74 -1.14 0.00 0.00 176.83 175.23 1n63 h HIS 114 N 0.00 0.26 -0.24 3.45 -0.00 -0.91 -1.10 115.15 116.61 1n63 h HIS 114 Ca -0.00 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 1n63 h HIS 114 Cb 0.28 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1n63 h HIS 114 CO 0.00 0.17 -0.50 -0.09 -0.00 0.00 0.00 177.93 177.51 1n63 h ARG 115 N 0.28 0.66 -0.50 5.26 9.65 -1.31 -3.09 114.38 125.33 1n63 h ARG 115 Ca 0.08 -0.39 0.07 0.00 -1.10 0.00 0.00 59.98 58.63 1n63 h ARG 115 Cb -0.03 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.53 1n63 h ARG 115 CO -0.02 1.00 0.17 1.25 2.80 0.00 0.00 179.97 185.18 1n63 h LEU 116 N 0.52 0.17 -0.02 3.80 5.85 -0.75 0.11 115.31 124.98 1n63 h LEU 116 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1n63 h LEU 116 Cb 1.05 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1n63 h LEU 116 CO 0.10 0.13 0.00 0.18 -0.34 0.00 0.00 178.44 178.51 1n63 n LEU 117 N -5.01 0.13 0.12 2.25 4.77 -0.45 -0.73 117.00 118.08 1n63 n LEU 117 Ca 0.05 0.51 -0.22 0.00 -0.03 0.00 0.00 56.01 56.32 1n63 n LEU 117 Cb 0.20 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.66 1n63 n LEU 117 CO 0.24 -0.08 -0.25 1.56 -1.33 0.00 0.00 177.39 177.54 1n63 h GLN 118 N 0.00 0.45 -0.68 3.23 4.20 -1.13 -2.95 115.11 118.22 1n63 h GLN 118 Ca 0.00 -0.76 -0.06 0.00 0.06 0.00 0.00 58.65 57.89 1n63 h GLN 118 Cb 0.49 0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1n63 h GLN 118 CO 0.00 1.36 0.20 0.93 -0.67 0.00 0.00 178.83 180.65 1n63 h GLU 119 N 0.12 1.06 -1.89 1.46 5.08 -0.20 -3.41 114.58 116.80 1n63 h GLU 119 Ca -0.24 -0.23 -0.27 0.00 -1.00 0.00 0.00 59.36 57.62 1n63 h GLU 119 Cb 2.11 -0.15 -0.30 0.00 0.50 0.00 0.00 28.75 30.90 1n63 h GLU 119 CO 0.24 0.91 -0.60 1.21 -1.00 0.00 0.00 179.01 179.78 1n63 s ASN 120 N -6.47 0.95 0.53 1.42 3.84 0.09 -5.04 114.94 110.26 1n63 s ASN 120 Ca -0.11 -0.74 0.31 0.00 0.21 0.00 0.00 52.86 52.53 1n63 s ASN 120 Cb 0.15 0.81 1.25 0.00 -0.55 0.00 0.00 41.25 42.91 1n63 s ASN 120 CO 0.83 -0.35 1.94 -0.65 -2.79 0.00 0.00 177.10 176.09 1n63 h PRO 121 N 7.98 0.00 -2.13 0.43 0.11 -1.75 -3.33 132.00 133.31 1n63 h PRO 121 Ca -0.08 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.46 1n63 h PRO 121 Cb 1.09 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.79 1n63 h PRO 121 CO 0.28 0.04 -0.80 0.43 -0.21 0.00 0.00 178.00 177.74 1n63 n SER 122 N -3.15 2.59 -4.82 -2.05 7.64 -1.26 -4.84 113.62 107.72 1n63 n SER 122 Ca 0.01 -3.22 -0.34 0.00 1.01 0.00 0.00 58.87 56.32 1n63 n SER 122 Cb 0.34 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 1n63 n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n63 s PRO 123 N -2.23 4.21 0.83 1.43 0.04 -1.25 -5.08 135.00 132.95 1n63 s PRO 123 Ca 0.40 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1n63 s PRO 123 Cb 0.19 -2.56 0.09 0.00 0.04 0.00 0.00 34.50 32.26 1n63 s PRO 123 CO -0.06 0.20 1.15 0.95 0.04 0.00 0.00 177.00 179.28 1n63 s THR 124 N -1.84 2.30 0.24 1.26 -4.23 -1.26 -4.80 115.64 107.31 1n63 s THR 124 Ca 0.52 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 61.06 1n63 s THR 124 Cb -0.13 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.96 1n63 s THR 124 CO 0.18 -0.13 1.92 -0.08 -0.54 0.00 0.00 174.62 175.98 1n63 h GLU 125 N -1.14 1.28 -0.65 3.99 4.81 -1.98 0.49 114.58 121.38 1n63 h GLU 125 Ca -0.47 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1n63 h GLU 125 Cb 1.31 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1n63 h GLU 125 CO 0.64 0.85 0.13 0.00 -0.73 0.00 0.00 179.01 179.89 1n63 h ALA 126 N 1.36 1.00 -0.64 2.92 0.00 -1.99 -0.11 119.26 121.79 1n63 h ALA 126 Ca 0.36 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n63 h ALA 126 Cb -0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1n63 h ALA 126 CO -0.08 0.64 0.15 0.93 0.00 0.00 0.00 179.25 180.89 1n63 h GLU 127 N 0.99 1.02 0.12 0.00 5.08 -1.77 -1.81 114.58 118.20 1n63 h GLU 127 Ca 0.20 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1n63 h GLU 127 Cb 0.39 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1n63 h GLU 127 CO 0.01 0.91 -0.06 0.82 -1.00 0.00 0.00 179.01 179.69 1n63 h ILE 128 N 0.97 0.99 -0.28 3.13 2.04 -0.26 0.13 117.51 124.22 1n63 h ILE 128 Ca 0.20 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1n63 h ILE 128 Cb 0.35 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1n63 h ILE 128 CO 0.00 0.10 0.18 0.03 0.00 0.00 0.00 178.15 178.46 1n63 h ARG 129 N -0.34 0.36 -0.73 2.37 3.08 -0.96 -0.87 114.38 117.29 1n63 h ARG 129 Ca -0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1n63 h ARG 129 Cb 0.28 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1n63 h ARG 129 CO 0.03 0.24 0.27 0.35 -1.07 0.00 0.00 179.97 179.79 1n63 h PHE 130 N 0.37 1.14 0.00 3.04 3.57 -1.37 -2.90 116.94 120.79 1n63 h PHE 130 Ca 0.10 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1n63 h PHE 130 Cb -0.04 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.36 1n63 h PHE 130 CO -0.06 0.88 0.00 0.41 -2.23 0.00 0.00 178.31 177.31 1n63 n GLY 131 N -0.82 -1.22 0.83 2.40 0.00 0.44 -1.78 105.19 105.04 1n63 n GLY 131 Ca 0.06 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1n63 n GLY 131 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n63 n ILE 132 N -2.29 2.07 0.23 -0.61 -5.35 -0.41 -4.77 119.36 108.23 1n63 n ILE 132 Ca 0.01 -1.75 0.17 0.00 -0.27 0.00 0.00 62.75 60.91 1n63 n ILE 132 Cb 0.20 -0.13 0.85 0.00 -1.74 0.00 0.00 39.64 38.81 1n63 n ILE 132 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n63 h GLY 133 N 1.79 0.00 0.72 3.28 0.00 -1.15 -1.47 103.07 106.23 1n63 h GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n63 h GLY 133 CO 0.18 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1n63 n GLY 134 N -1.38 -0.88 3.15 4.60 0.00 -1.26 -4.80 105.19 104.62 1n63 n GLY 134 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1n63 n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n63 s ASN 135 N -1.88 3.07 0.01 1.61 -0.87 -0.56 -2.91 114.94 113.42 1n63 s ASN 135 Ca 0.42 -0.61 -0.12 0.00 -1.57 0.00 0.00 52.86 50.98 1n63 s ASN 135 Cb 0.19 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.25 39.94 1n63 s ASN 135 CO 0.33 0.05 0.38 -0.76 -2.57 0.00 0.00 177.10 174.52 1n63 s LEU 136 N 0.98 4.43 -0.04 0.60 1.43 -0.01 -4.99 118.68 121.08 1n63 s LEU 136 Ca -0.03 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1n63 s LEU 136 Cb -0.15 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1n63 s LEU 136 CO -0.06 0.29 -0.09 0.00 0.23 0.00 0.00 176.35 176.72 1n63 h ARG 138 N 6.70 0.00 0.05 0.00 2.47 -2.02 -3.43 114.38 118.15 1n63 h ARG 138 Ca -0.34 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.02 1n63 h ARG 138 Cb 1.17 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.44 1n63 h ARG 138 CO 0.48 0.09 -2.19 0.00 0.56 0.00 0.00 179.97 178.91 1n63 n THR 140 N -3.25 0.51 -1.10 0.00 -2.24 -1.26 -4.95 114.28 101.99 1n63 n THR 140 Ca -0.35 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 60.80 1n63 n THR 140 Cb 1.04 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1n63 n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 141 N 1.34 0.55 4.47 3.38 0.00 -1.26 -4.06 105.19 109.60 1n63 n GLY 141 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1n63 n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n63 n TYR 142 N -2.51 0.00 -0.30 1.61 4.01 -1.26 -4.78 117.16 113.93 1n63 n TYR 142 Ca -0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.68 1n63 n TYR 142 Cb 0.31 -0.15 0.10 0.00 -0.31 0.00 0.00 39.34 39.28 1n63 n TYR 142 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1n63 h GLN 143 N 0.35 1.01 0.00 -0.72 4.15 -2.00 -0.94 115.11 116.96 1n63 h GLN 143 Ca 0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1n63 h GLN 143 Cb 0.00 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1n63 h GLN 143 CO 0.00 0.67 -0.17 -0.91 -1.93 0.00 0.00 178.83 176.48 1n63 h ASN 144 N 1.04 0.00 -0.40 -0.69 2.35 -1.85 -2.70 115.58 113.33 1n63 h ASN 144 Ca 0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1n63 h ASN 144 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1n63 h ASN 144 CO -0.10 0.17 0.01 0.40 -1.65 0.00 0.00 177.43 176.26 1n63 h ILE 145 N 0.00 1.26 -0.75 2.81 2.04 -1.48 0.17 117.51 121.56 1n63 h ILE 145 Ca -0.00 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 64.93 1n63 h ILE 145 Cb 1.08 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 1n63 h ILE 145 CO 0.02 0.33 0.43 0.58 0.00 0.00 0.00 178.15 179.52 1n63 h VAL 146 N 0.53 0.99 -0.39 1.67 2.07 -1.12 -1.39 116.25 118.61 1n63 h VAL 146 Ca 0.12 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1n63 h VAL 146 Cb 0.46 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1n63 h VAL 146 CO 0.02 0.14 0.23 0.11 0.02 0.00 0.00 177.57 178.09 1n63 h LYS 147 N 0.79 0.44 -0.68 1.57 1.57 -1.22 -0.51 116.57 118.54 1n63 h LYS 147 Ca 0.33 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1n63 h LYS 147 Cb 0.20 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1n63 h LYS 147 CO -0.18 0.29 0.37 0.00 -0.57 0.00 0.00 179.45 179.36 1n63 h ALA 148 N 1.18 0.92 -0.43 3.86 0.00 -0.38 -0.68 119.26 123.73 1n63 h ALA 148 Ca 0.16 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1n63 h ALA 148 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1n63 h ALA 148 CO -0.08 0.03 -0.17 0.82 0.00 0.00 0.00 179.25 179.85 1n63 h ILE 149 N 0.67 1.28 -0.39 0.00 2.04 -0.85 -1.34 117.51 118.92 1n63 h ILE 149 Ca 0.31 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1n63 h ILE 149 Cb 0.22 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1n63 h ILE 149 CO -0.20 0.44 0.02 1.56 0.00 0.00 0.00 178.15 179.98 1n63 h GLN 150 N 0.71 0.60 -0.30 2.37 4.20 -0.91 -0.57 115.11 121.22 1n63 h GLN 150 Ca 0.10 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1n63 h GLN 150 Cb 0.73 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1n63 h GLN 150 CO 0.06 0.61 0.03 -0.92 -0.67 0.00 0.00 178.83 177.94 1n63 h TYR 151 N 0.58 0.54 -0.41 2.96 5.03 -0.95 -1.57 116.97 123.15 1n63 h TYR 151 Ca 0.12 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1n63 h TYR 151 Cb 0.33 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 1n63 h TYR 151 CO 0.01 0.61 0.18 0.00 -1.32 0.00 0.00 178.16 177.64 1n63 h ALA 152 N 0.86 0.53 -0.75 1.82 0.00 -0.92 -1.83 119.26 118.97 1n63 h ALA 152 Ca 0.09 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1n63 h ALA 152 Cb 0.37 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1n63 h ALA 152 CO 0.01 0.12 0.43 0.00 0.00 0.00 0.00 179.25 179.81 1n63 h ALA 153 N 1.02 1.03 -0.53 0.00 0.00 -0.87 0.85 119.26 120.76 1n63 h ALA 153 Ca 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1n63 h ALA 153 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1n63 h ALA 153 CO -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 1n63 h ALA 154 N 1.39 0.96 -0.20 0.00 0.00 -0.95 0.27 119.26 120.73 1n63 h ALA 154 Ca 0.34 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1n63 h ALA 154 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n63 h ALA 154 CO -0.20 0.62 -0.07 -0.22 0.00 0.00 0.00 179.25 179.39 1n63 h LYS 155 N 0.84 0.40 -0.85 0.00 3.64 -0.67 -2.65 116.57 117.29 1n63 h LYS 155 Ca 0.15 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1n63 h LYS 155 Cb 0.53 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1n63 h LYS 155 CO 0.03 0.67 0.48 0.82 -2.27 0.00 0.00 179.45 179.18 1n63 h ILE 156 N 0.11 1.24 0.00 2.00 2.04 -0.65 -2.55 117.51 119.70 1n63 h ILE 156 Ca 0.05 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1n63 h ILE 156 Cb 0.53 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1n63 h ILE 156 CO 0.02 0.27 0.00 0.59 0.00 0.00 0.00 178.15 179.03 1n63 n ASN 157 N -4.35 0.12 0.03 1.72 4.13 0.07 -2.08 115.26 114.89 1n63 n ASN 157 Ca 0.09 0.52 0.11 0.00 1.68 0.00 0.00 54.58 56.98 1n63 n ASN 157 Cb 0.09 -0.55 0.03 0.00 -1.54 0.00 0.00 39.78 37.81 1n63 n ASN 157 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n63 n GLY 158 N 0.97 -1.23 0.48 7.41 0.00 -0.98 -4.59 105.19 107.25 1n63 n GLY 158 Ca 0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 1n63 n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n63 h VAL 159 N 0.00 0.09 0.00 1.61 2.07 -1.18 -3.51 116.25 115.32 1n63 h VAL 159 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n63 h VAL 159 Cb 0.74 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1n63 h VAL 159 CO 0.00 0.00 0.00 -2.65 0.02 0.00 0.00 177.57 174.94