#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i96 s ALA 22 N 0.00 3.09 0.00 -5.12 0.00 -1.26 -5.03 121.76 113.44 2i96 s ALA 22 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.41 2i96 s ALA 22 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2i96 s ALA 22 CO 0.00 -1.78 0.00 0.39 0.00 0.00 0.00 175.76 174.37 2i96 n GLU 23 N 4.49 0.00 0.00 0.00 1.02 -1.26 -4.34 120.64 120.55 2i96 n GLU 23 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2i96 n GLU 23 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2i96 n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i96 n GLN 24 N 0.00 1.87 -0.28 3.49 10.64 -1.26 -4.78 117.38 127.05 2i96 n GLN 24 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 2i96 n GLN 24 Cb 0.00 -0.71 -0.08 0.00 -0.86 0.00 0.00 30.24 28.60 2i96 n GLN 24 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2i96 h SER 25 N 0.00 -1.61 0.00 2.61 4.64 -2.03 -3.36 113.55 113.80 2i96 h SER 25 Ca 0.00 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2i96 h SER 25 Cb 0.36 0.70 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2i96 h SER 25 CO 0.00 -0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 174.86 2i96 n ASP 26 N -4.71 0.00 -1.56 4.97 5.68 -1.26 -4.98 116.55 114.69 2i96 n ASP 26 Ca 0.01 -1.00 -0.17 0.00 -0.50 0.00 0.00 54.79 53.13 2i96 n ASP 26 Cb 0.21 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2i96 n GLU 27 N 0.00 -1.24 0.00 0.11 1.02 -1.26 -4.87 120.64 114.41 2i96 n GLU 27 Ca 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 2i96 n GLU 27 Cb 0.43 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i96 n ALA 28 N -0.08 0.00 -1.61 0.62 0.00 -1.26 -4.69 120.51 113.49 2i96 n ALA 28 Ca -0.18 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.77 2i96 n ALA 28 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 2i96 n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i96 n VAL 29 N -0.05 0.24 -2.61 0.00 0.31 -1.26 -4.82 118.33 110.13 2i96 n VAL 29 Ca 0.00 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 2i96 n VAL 29 Cb 0.00 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 2i96 n VAL 29 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2i96 s LYS 30 N 0.36 3.20 0.27 5.55 1.02 -1.26 -4.95 119.74 123.93 2i96 s LYS 30 Ca 0.80 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.50 2i96 s LYS 30 Cb -0.84 -4.17 -0.03 0.00 -0.52 0.00 0.00 37.83 32.26 2i96 s LYS 30 CO 0.46 -2.06 0.43 0.71 -0.92 0.00 0.00 175.35 173.98 2i96 s TYR 31 N 5.39 3.48 0.11 3.18 2.02 -1.26 -0.12 117.35 130.15 2i96 s TYR 31 Ca 0.33 0.19 0.08 0.00 -0.37 0.00 0.00 57.07 57.31 2i96 s TYR 31 Cb -0.09 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2i96 s TYR 31 CO 0.15 0.31 -0.21 0.71 -1.57 0.00 0.00 175.55 174.94 2i96 s TYR 32 N -2.08 1.83 0.45 2.71 2.02 0.21 -4.77 117.35 117.73 2i96 s TYR 32 Ca 0.37 -0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 56.44 2i96 s TYR 32 Cb -0.10 -0.99 -0.10 0.00 -0.40 0.00 0.00 41.96 40.37 2i96 s TYR 32 CO 0.32 0.23 1.00 0.95 -1.57 0.00 0.00 175.55 176.47 2i96 s THR 33 N -1.23 4.04 0.14 -0.71 -4.23 -1.26 0.04 115.64 112.43 2i96 s THR 33 Ca 0.08 1.30 -0.21 0.00 -1.18 0.00 0.00 61.69 61.68 2i96 s THR 33 Cb -0.10 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.21 2i96 s THR 33 CO 0.05 -0.24 1.66 0.25 -0.54 0.00 0.00 174.62 175.80 2i96 h LEU 34 N 1.81 -0.48 -1.55 4.79 5.85 -1.97 -2.93 115.31 120.84 2i96 h LEU 34 Ca -0.49 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 2i96 h LEU 34 Cb 1.20 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2i96 h LEU 34 CO 0.60 -0.19 -0.22 1.05 -0.34 0.00 0.00 178.44 179.34 2i96 h GLU 35 N -0.15 0.00 0.00 1.25 4.11 -1.95 -2.10 114.58 115.74 2i96 h GLU 35 Ca 0.12 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.35 2i96 h GLU 35 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2i96 h GLU 35 CO -0.29 0.22 -0.97 1.05 0.07 0.00 0.00 179.01 179.09 2i96 h GLU 36 N 0.00 0.00 0.00 1.06 4.11 -1.91 -2.99 114.58 114.84 2i96 h GLU 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2i96 h GLU 36 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2i96 h GLU 36 CO 0.03 0.85 0.00 0.82 0.07 0.00 0.00 179.01 180.78 2i96 h ILE 37 N 0.00 0.00 0.00 -1.06 2.04 -1.24 -1.81 117.51 115.44 2i96 h ILE 37 Ca -0.03 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 2i96 h ILE 37 Cb 1.71 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 2i96 h ILE 37 CO 0.11 0.00 -0.37 1.56 0.00 0.00 0.00 178.15 179.45 2i96 h GLN 38 N 0.00 0.00 -0.07 2.37 1.08 -1.36 -2.56 115.11 114.57 2i96 h GLN 38 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i96 h GLN 38 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2i96 h GLN 38 CO 0.00 0.37 0.00 0.36 -0.95 0.00 0.00 178.83 178.61 2i96 n LYS 39 N -3.73 1.85 -1.86 1.46 2.85 -0.93 -4.07 118.16 113.72 2i96 n LYS 39 Ca -0.01 -1.75 -0.33 0.00 -1.05 0.00 0.00 58.31 55.17 2i96 n LYS 39 Cb 0.46 -1.39 0.04 0.00 -0.65 0.00 0.00 35.03 33.49 2i96 n LYS 39 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2i96 n HIS 40 N 1.14 3.10 0.25 5.58 8.25 -0.73 -4.60 115.22 128.21 2i96 n HIS 40 Ca 0.12 -2.68 0.06 0.00 -0.26 0.00 0.00 57.72 54.96 2i96 n HIS 40 Cb 0.50 -0.88 0.08 0.00 1.12 0.00 0.00 29.99 30.81 2i96 n HIS 40 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2i96 n ASN 41 N -0.68 2.27 -4.46 0.41 6.94 -1.22 -0.40 115.26 118.13 2i96 n ASN 41 Ca 0.52 -1.65 -0.23 0.00 -0.02 0.00 0.00 54.58 53.20 2i96 n ASN 41 Cb 0.60 -0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 2i96 n ASN 41 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2i96 s HIS 42 N -0.96 2.22 0.04 -2.53 -3.43 -1.25 -4.60 115.29 104.78 2i96 s HIS 42 Ca 0.17 -0.36 -0.08 0.00 -0.80 0.00 0.00 55.06 53.98 2i96 s HIS 42 Cb 0.10 -0.97 -0.02 0.00 -1.43 0.00 0.00 32.58 30.27 2i96 s HIS 42 CO 0.15 0.67 0.67 0.43 -2.00 0.00 0.00 174.74 174.67 2i96 n SER 43 N -0.59 -0.28 0.00 7.38 7.64 -1.26 0.31 113.62 126.82 2i96 n SER 43 Ca -0.05 0.74 0.05 0.00 1.01 0.00 0.00 58.87 60.62 2i96 n SER 43 Cb 0.60 -0.20 0.32 0.00 -1.01 0.00 0.00 64.21 63.92 2i96 n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2i96 n LYS 44 N -3.57 0.55 -2.59 1.43 4.76 -1.26 -3.33 118.16 114.15 2i96 n LYS 44 Ca 0.01 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.42 2i96 n LYS 44 Cb 0.07 -1.30 0.11 0.00 -1.84 0.00 0.00 35.03 32.07 2i96 n LYS 44 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2i96 n SER 45 N -0.80 -1.45 -4.51 4.39 7.64 0.15 -5.06 113.62 113.98 2i96 n SER 45 Ca 0.08 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.37 2i96 n SER 45 Cb 0.04 0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 63.93 2i96 n SER 45 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2i96 s THR 46 N 0.13 4.19 0.49 0.44 2.01 -0.34 -3.62 115.64 118.94 2i96 s THR 46 Ca 0.11 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.37 2i96 s THR 46 Cb 0.40 -4.91 0.04 0.00 0.01 0.00 0.00 72.50 68.03 2i96 s THR 46 CO -0.11 -1.74 0.68 0.26 -0.69 0.00 0.00 174.62 173.02 2i96 s TRP 47 N 4.28 2.39 0.37 4.92 0.51 0.47 -0.72 118.94 131.15 2i96 s TRP 47 Ca 0.38 -0.43 -0.14 0.00 -2.12 0.00 0.00 56.10 53.79 2i96 s TRP 47 Cb -0.04 -2.42 0.04 0.00 -0.81 0.00 0.00 33.47 30.24 2i96 s TRP 47 CO -0.04 -0.74 0.74 -0.48 -0.51 0.00 0.00 176.95 175.92 2i96 s LEU 48 N -4.53 0.11 -0.07 2.99 2.34 -0.18 -1.53 118.68 117.81 2i96 s LEU 48 Ca 0.58 -1.14 0.02 0.00 0.06 0.00 0.00 54.13 53.65 2i96 s LEU 48 Cb -0.09 2.65 0.02 0.00 -0.56 0.00 0.00 46.19 48.21 2i96 s LEU 48 CO 0.36 -1.60 -0.11 -0.63 -1.06 0.00 0.00 176.35 173.31 2i96 s ILE 49 N -2.58 1.09 -1.55 1.48 1.01 0.11 0.01 121.20 120.77 2i96 s ILE 49 Ca 0.17 -0.43 0.18 0.00 0.00 0.00 0.00 60.65 60.57 2i96 s ILE 49 Cb -0.05 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 2i96 s ILE 49 CO 0.12 0.35 0.91 0.18 0.00 0.00 0.00 174.94 176.50 2i96 n LEU 50 N 4.02 1.63 0.00 2.97 4.77 -1.20 0.13 117.00 129.32 2i96 n LEU 50 Ca -0.21 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2i96 n LEU 50 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2i96 n LEU 50 CO 0.24 0.32 0.00 0.00 -1.33 0.00 0.00 177.39 176.61 2i96 n HIS 51 N -0.28 0.00 -1.66 -1.77 1.44 -1.26 -4.49 115.22 107.19 2i96 n HIS 51 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2i96 n HIS 51 Cb 0.37 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.48 2i96 n HIS 51 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2i96 n HIS 52 N -0.65 0.00 -5.04 -1.40 8.25 -1.26 -5.03 115.22 110.09 2i96 n HIS 52 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2i96 n HIS 52 Cb 0.00 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 2i96 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2i96 s LYS 53 N 0.00 2.01 -0.02 -0.41 -0.14 -1.26 -1.89 119.74 118.03 2i96 s LYS 53 Ca 0.00 -0.99 -0.16 0.00 -1.36 0.00 0.00 55.97 53.46 2i96 s LYS 53 Cb 0.00 -2.06 -0.05 0.00 -1.68 0.00 0.00 37.83 34.04 2i96 s LYS 53 CO 0.00 0.54 0.45 0.54 -0.76 0.00 0.00 175.35 176.12 2i96 s VAL 54 N -0.73 5.03 0.36 3.17 0.11 0.63 -3.28 120.40 125.69 2i96 s VAL 54 Ca 0.11 0.92 0.09 0.00 -2.93 0.00 0.00 61.98 60.17 2i96 s VAL 54 Cb -0.10 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2i96 s VAL 54 CO 0.01 0.51 -0.00 -0.31 -3.33 0.00 0.00 175.10 171.98 2i96 s TYR 55 N -0.63 2.50 0.04 1.54 1.51 0.10 -1.92 117.35 120.50 2i96 s TYR 55 Ca 0.25 -0.52 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 2i96 s TYR 55 Cb -0.17 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 2i96 s TYR 55 CO 0.13 0.47 -0.21 0.34 -1.11 0.00 0.00 175.55 175.17 2i96 s ASP 56 N -3.70 2.54 0.00 2.29 2.15 -0.57 -1.01 116.67 118.37 2i96 s ASP 56 Ca 0.35 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.80 2i96 s ASP 56 Cb 0.03 -0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 2i96 s ASP 56 CO 0.19 0.17 0.00 0.18 -0.17 0.00 0.00 175.17 175.54 2i96 n LEU 57 N 1.84 0.00 0.00 -1.34 7.99 0.10 -4.83 117.00 120.77 2i96 n LEU 57 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 2i96 n LEU 57 Cb 0.53 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 2i96 n LEU 57 CO 0.23 -0.44 0.00 0.41 -1.51 0.00 0.00 177.39 176.08 2i96 n THR 58 N -2.35 0.00 0.16 -5.08 -1.04 -1.23 -0.64 114.28 104.10 2i96 n THR 58 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 2i96 n THR 58 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 2i96 n THR 58 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2i96 h LYS 59 N 0.00 0.00 0.00 -2.82 1.57 -1.94 -3.33 116.57 110.06 2i96 h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i96 h LYS 59 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2i96 h LYS 59 CO 0.00 0.13 0.00 0.34 -0.57 0.00 0.00 179.45 179.35 2i96 n PHE 60 N -3.01 0.18 0.10 -1.35 7.35 0.19 -3.84 117.46 117.08 2i96 n PHE 60 Ca 0.02 0.07 0.05 0.00 -0.76 0.00 0.00 57.45 56.83 2i96 n PHE 60 Cb 0.60 -0.61 0.50 0.00 0.35 0.00 0.00 39.48 40.33 2i96 n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2i96 h LEU 61 N 0.00 0.28 -1.55 -2.13 3.38 -1.80 -0.73 115.31 112.76 2i96 h LEU 61 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2i96 h LEU 61 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2i96 h LEU 61 CO 0.00 0.22 -0.15 -1.84 0.09 0.00 0.00 178.44 176.75 2i96 n GLU 62 N -4.49 1.82 -0.01 1.13 0.28 -1.25 -4.18 120.64 113.95 2i96 n GLU 62 Ca 0.01 -1.52 0.09 0.00 -0.16 0.00 0.00 57.16 55.57 2i96 n GLU 62 Cb 0.08 -1.42 -0.12 0.00 1.43 0.00 0.00 31.44 31.41 2i96 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2i96 n GLU 63 N 0.80 0.85 -3.25 3.44 4.07 -0.42 -4.94 120.64 121.18 2i96 n GLU 63 Ca 0.11 -0.10 -0.39 0.00 -0.06 0.00 0.00 57.16 56.73 2i96 n GLU 63 Cb 0.51 -1.37 -0.06 0.00 -0.06 0.00 0.00 31.44 30.46 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2i96 s HIS 64 N -2.99 3.72 -0.55 4.31 2.46 -0.41 -4.98 115.29 116.85 2i96 s HIS 64 Ca -0.02 1.19 0.26 0.00 0.47 0.00 0.00 55.06 56.96 2i96 s HIS 64 Cb 0.12 -2.55 0.87 0.00 -0.13 0.00 0.00 32.58 30.89 2i96 s HIS 64 CO 0.72 0.44 1.76 -1.35 -2.47 0.00 0.00 174.74 173.83 2i96 h PRO 65 N 5.27 0.00 -0.02 2.88 0.11 -1.92 -3.28 132.00 135.05 2i96 h PRO 65 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2i96 h PRO 65 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2i96 h PRO 65 CO 0.67 0.00 -0.01 0.41 -0.21 0.00 0.00 178.00 178.86 2i96 n GLY 66 N 0.72 0.09 0.00 -0.55 0.00 -1.26 -5.02 105.19 99.17 2i96 n GLY 66 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2i96 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 67 N 1.20 1.27 0.84 -0.02 0.00 -1.24 -4.87 105.19 102.38 2i96 n GLY 67 Ca 0.18 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 2i96 n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i96 n GLU 68 N -1.31 0.11 0.03 1.61 2.13 -1.26 -4.72 120.64 117.23 2i96 n GLU 68 Ca 0.00 0.05 -0.04 0.00 0.66 0.00 0.00 57.16 57.83 2i96 n GLU 68 Cb 0.00 -0.69 0.19 0.00 0.27 0.00 0.00 31.44 31.21 2i96 n GLU 68 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2i96 h GLU 69 N -0.20 0.43 -0.00 5.31 9.09 -1.93 -2.50 114.58 124.77 2i96 h GLU 69 Ca -0.08 -0.18 0.00 0.00 0.05 0.00 0.00 59.36 59.15 2i96 h GLU 69 Cb 0.73 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 2i96 h GLU 69 CO -0.05 0.71 -0.17 1.33 0.05 0.00 0.00 179.01 180.88 2i96 n VAL 70 N -4.08 0.00 0.03 -1.06 0.24 -1.26 -2.65 118.33 109.54 2i96 n VAL 70 Ca -0.01 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.34 62.16 2i96 n VAL 70 Cb 0.44 -0.03 0.10 0.00 -1.47 0.00 0.00 33.84 32.88 2i96 n VAL 70 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2i96 h LEU 71 N 0.51 0.51 -1.01 1.34 -0.00 -1.73 -3.08 115.31 111.84 2i96 h LEU 71 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2i96 h LEU 71 Cb 0.41 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2i96 h LEU 71 CO 0.00 0.93 0.00 -1.14 -0.00 0.00 0.00 178.44 178.23 2i96 n ARG 72 N -3.97 0.15 -0.00 1.13 0.63 -1.09 -1.12 116.66 112.39 2i96 n ARG 72 Ca -0.02 0.53 -0.16 0.00 -0.92 0.00 0.00 57.85 57.27 2i96 n ARG 72 Cb 0.57 -1.88 -0.14 0.00 0.45 0.00 0.00 32.46 31.46 2i96 n ARG 72 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2i96 n GLU 73 N -2.18 0.71 0.00 -0.14 2.13 -1.16 -4.26 120.64 115.73 2i96 n GLU 73 Ca 0.00 0.28 0.09 0.00 0.66 0.00 0.00 57.16 58.19 2i96 n GLU 73 Cb 0.12 -1.75 -0.09 0.00 0.27 0.00 0.00 31.44 29.99 2i96 n GLU 73 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2i96 n GLN 74 N -3.31 0.79 -3.01 5.31 1.13 -0.95 -4.95 117.38 112.39 2i96 n GLN 74 Ca -0.26 -0.15 -0.38 0.00 -1.94 0.00 0.00 57.00 54.27 2i96 n GLN 74 Cb 1.05 -1.40 -0.06 0.00 0.11 0.00 0.00 30.24 29.94 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2i96 s ALA 75 N -2.72 3.40 0.00 -1.58 0.00 -0.28 -4.01 121.76 116.57 2i96 s ALA 75 Ca 0.09 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2i96 s ALA 75 Cb 0.15 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2i96 s ALA 75 CO 0.74 0.29 0.00 0.41 0.00 0.00 0.00 175.76 177.20 2i96 n GLY 76 N 1.08 1.63 0.00 0.00 0.00 -0.58 -4.73 105.19 102.59 2i96 n GLY 76 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2i96 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 77 N -0.17 4.09 3.75 -0.02 0.00 -1.26 -3.02 105.19 108.57 2i96 n GLY 77 Ca 0.00 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 2i96 n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i96 s ASP 78 N 1.62 7.61 -0.07 1.61 -4.77 -1.25 0.08 116.67 121.49 2i96 s ASP 78 Ca 0.00 1.96 0.11 0.00 -3.30 0.00 0.00 52.55 51.33 2i96 s ASP 78 Cb 0.00 -2.61 0.27 0.00 -1.09 0.00 0.00 42.92 39.49 2i96 s ASP 78 CO 0.00 0.13 1.20 0.00 0.70 0.00 0.00 175.17 177.20 2i96 n ALA 79 N 1.43 2.34 1.12 2.11 0.00 0.12 -4.74 120.51 122.89 2i96 n ALA 79 Ca -0.02 -1.75 0.11 0.00 0.00 0.00 0.00 53.44 51.79 2i96 n ALA 79 Cb 0.47 -0.36 0.58 0.00 0.00 0.00 0.00 19.45 20.14 2i96 n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2i96 n THR 80 N -0.50 0.25 -0.09 0.00 5.66 -1.26 -2.57 114.28 115.77 2i96 n THR 80 Ca 0.12 0.06 -0.07 0.00 -3.05 0.00 0.00 64.05 61.11 2i96 n THR 80 Cb 0.54 -0.70 -0.00 0.00 -1.55 0.00 0.00 70.33 68.62 2i96 n THR 80 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2i96 h GLU 81 N 0.00 -0.19 -0.68 1.09 4.57 -1.94 -2.23 114.58 115.21 2i96 h GLU 81 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2i96 h GLU 81 Cb 0.18 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2i96 h GLU 81 CO 0.00 -0.12 0.23 -0.97 -1.18 0.00 0.00 179.01 176.96 2i96 h ASN 82 N -0.19 0.95 0.35 1.04 -1.24 -1.87 -3.12 115.58 111.50 2i96 h ASN 82 Ca 0.17 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 56.96 2i96 h ASN 82 Cb 0.46 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 2i96 h ASN 82 CO -0.46 0.88 -0.28 0.15 -1.29 0.00 0.00 177.43 176.43 2i96 h PHE 83 N 0.99 0.00 -0.00 0.67 3.57 -1.53 0.80 116.94 121.44 2i96 h PHE 83 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2i96 h PHE 83 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2i96 h PHE 83 CO 0.02 0.28 -0.20 0.39 -2.23 0.00 0.00 178.31 176.57 2i96 n GLU 84 N -4.05 0.40 -0.09 1.11 1.02 -1.00 -2.40 120.64 115.62 2i96 n GLU 84 Ca -0.02 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 56.83 2i96 n GLU 84 Cb 0.34 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 2i96 n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2i96 n ASP 85 N -1.17 2.44 -3.31 1.62 2.03 -0.70 -4.92 116.55 112.55 2i96 n ASP 85 Ca 0.11 -0.07 -0.08 0.00 0.52 0.00 0.00 54.79 55.26 2i96 n ASP 85 Cb 0.31 -0.32 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 2i96 n ASP 85 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2i96 s VAL 86 N -2.37 -0.64 -0.82 5.18 0.11 0.19 -5.09 120.40 116.96 2i96 s VAL 86 Ca -0.26 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2i96 s VAL 86 Cb 0.07 -0.94 0.34 0.00 -1.53 0.00 0.00 36.38 34.32 2i96 s VAL 86 CO 0.43 -0.22 1.57 0.61 -3.33 0.00 0.00 175.10 174.16 2i96 n GLY 87 N 5.36 5.87 0.92 6.54 0.00 -1.01 -4.21 105.19 118.67 2i96 n GLY 87 Ca -0.01 -2.63 0.12 0.00 0.00 0.00 0.00 46.02 43.50 2i96 n GLY 87 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2i96 n HIS 88 N -0.25 -2.38 -1.21 1.61 8.25 -1.26 -4.38 115.22 115.60 2i96 n HIS 88 Ca 0.44 1.24 -0.30 0.00 -0.26 0.00 0.00 57.72 58.84 2i96 n HIS 88 Cb 0.33 -2.16 0.07 0.00 1.12 0.00 0.00 29.99 29.35 2i96 n HIS 88 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2i96 n SER 89 N -3.54 7.35 0.00 0.41 3.41 -1.26 -4.93 113.62 115.06 2i96 n SER 89 Ca -0.02 -3.57 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 2i96 n SER 89 Cb 0.43 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2i96 n SER 89 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2i96 n THR 90 N -0.54 0.00 -0.20 6.66 -1.04 -1.26 -4.53 114.28 113.37 2i96 n THR 90 Ca 0.53 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.68 2i96 n THR 90 Cb 0.63 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.60 2i96 n THR 90 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2i96 h ASP 91 N 0.00 0.48 0.00 8.00 3.58 -1.96 0.16 116.42 126.68 2i96 h ASP 91 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2i96 h ASP 91 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2i96 h ASP 91 CO 0.00 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 2i96 n ALA 92 N -2.49 2.20 0.82 -0.78 0.00 -1.26 -0.49 120.51 118.51 2i96 n ALA 92 Ca 0.16 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.67 2i96 n ALA 92 Cb 0.52 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 2i96 n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i96 n ARG 93 N -0.60 0.12 -0.08 0.00 1.74 0.55 -3.85 116.66 114.54 2i96 n ARG 93 Ca 0.03 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2i96 n ARG 93 Cb 0.01 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 2i96 n ARG 93 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2i96 n GLU 94 N -1.64 0.37 0.26 5.56 -0.58 0.28 -4.51 120.64 120.38 2i96 n GLU 94 Ca 0.03 0.13 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 2i96 n GLU 94 Cb 0.37 -1.19 0.75 0.00 -0.57 0.00 0.00 31.44 30.80 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2i96 h MET 95 N -0.35 0.00 -0.00 3.49 4.05 -1.00 -2.82 114.93 118.30 2i96 h MET 95 Ca -0.40 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 2i96 h MET 95 Cb 1.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 2i96 h MET 95 CO -0.17 0.00 -0.45 -1.13 0.23 0.00 0.00 176.91 175.39 2i96 n SER 96 N -4.24 0.58 0.12 1.39 3.41 -1.25 -4.29 113.62 109.35 2i96 n SER 96 Ca -0.02 -0.35 0.05 0.00 -0.26 0.00 0.00 58.87 58.29 2i96 n SER 96 Cb 0.13 0.22 0.50 0.00 -0.26 0.00 0.00 64.21 64.80 2i96 n SER 96 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2i96 h LYS 97 N 0.20 0.27 -0.00 4.33 1.57 -1.73 0.62 116.57 121.83 2i96 h LYS 97 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2i96 h LYS 97 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2i96 h LYS 97 CO 0.00 0.22 -0.01 2.41 -0.57 0.00 0.00 179.45 181.50 2i96 n THR 98 N -4.46 0.00 0.99 -0.16 -1.04 -1.26 -2.36 114.28 106.00 2i96 n THR 98 Ca -0.00 -0.05 0.10 0.00 -2.04 0.00 0.00 64.05 62.06 2i96 n THR 98 Cb 0.11 -0.29 -0.11 0.00 -1.82 0.00 0.00 70.33 68.23 2i96 n THR 98 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2i96 n PHE 99 N -0.81 0.00 -2.23 -1.42 3.72 0.20 -4.80 117.46 112.12 2i96 n PHE 99 Ca 0.21 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.30 2i96 n PHE 99 Cb 0.18 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 2i96 n PHE 99 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2i96 s ILE 100 N -2.94 3.62 -0.27 4.37 1.01 -0.99 -1.51 121.20 124.48 2i96 s ILE 100 Ca 0.09 -0.53 0.20 0.00 0.00 0.00 0.00 60.65 60.42 2i96 s ILE 100 Cb 0.16 -4.38 0.23 0.00 0.01 0.00 0.00 42.46 38.48 2i96 s ILE 100 CO 0.84 -1.29 1.58 0.16 0.00 0.00 0.00 174.94 176.22 2i96 h ILE 101 N 7.07 0.36 0.00 2.92 3.07 -1.69 -3.49 117.51 125.75 2i96 h ILE 101 Ca 0.14 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 65.10 2i96 h ILE 101 Cb 1.00 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 39.68 2i96 h ILE 101 CO 1.29 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 179.20 2i96 n GLY 102 N 1.04 -1.24 1.21 0.16 0.00 -1.18 -4.97 105.19 100.21 2i96 n GLY 102 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 2i96 n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i96 n GLU 103 N -0.01 1.12 -3.72 1.61 4.71 0.83 -0.27 120.64 124.91 2i96 n GLU 103 Ca 0.00 -1.05 -0.35 0.00 -0.01 0.00 0.00 57.16 55.75 2i96 n GLU 103 Cb 0.00 0.06 -0.05 0.00 -1.01 0.00 0.00 31.44 30.43 2i96 n GLU 103 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2i96 s LEU 104 N 0.00 4.38 0.79 -4.62 2.96 -0.79 -0.62 118.68 120.77 2i96 s LEU 104 Ca 0.13 0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 54.54 2i96 s LEU 104 Cb -0.01 -2.68 0.07 0.00 0.50 0.00 0.00 46.19 44.07 2i96 s LEU 104 CO 0.08 0.25 1.13 -1.00 -1.32 0.00 0.00 176.35 175.50 2i96 s HIS 105 N -1.28 2.19 0.18 5.38 3.76 0.11 -4.20 115.29 121.43 2i96 s HIS 105 Ca 0.27 1.64 0.11 0.00 -0.15 0.00 0.00 55.06 56.93 2i96 s HIS 105 Cb -0.13 -3.24 0.65 0.00 1.11 0.00 0.00 32.58 30.96 2i96 s HIS 105 CO 0.15 -2.24 0.73 -2.30 -0.85 0.00 0.00 174.74 170.23 2i96 n PRO 106 N -3.40 -0.02 -0.45 8.40 -0.02 -1.26 -0.39 135.00 137.85 2i96 n PRO 106 Ca 0.11 0.62 0.38 0.00 -2.02 0.00 0.00 63.50 62.60 2i96 n PRO 106 Cb 0.52 -1.15 0.64 0.00 -0.02 0.00 0.00 33.50 33.49 2i96 n PRO 106 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2i96 n ASP 107 N -3.90 0.19 0.01 2.55 9.92 -1.26 -3.42 116.55 120.64 2i96 n ASP 107 Ca 0.18 1.29 0.00 0.00 -0.53 0.00 0.00 54.79 55.73 2i96 n ASP 107 Cb 0.64 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 2i96 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2i96 n ASP 108 N -4.56 0.07 -4.46 -2.24 2.03 0.47 -4.91 116.55 102.95 2i96 n ASP 108 Ca 0.38 0.04 -0.46 0.00 0.52 0.00 0.00 54.79 55.27 2i96 n ASP 108 Cb 1.49 -0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 41.80 2i96 n ASP 108 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2i96 n ARG 109 N -2.87 0.64 -0.00 -0.67 0.00 -0.17 -3.72 116.66 109.85 2i96 n ARG 109 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2i96 n ARG 109 Cb 0.25 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.42 2i96 n ARG 109 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2i96 n PRO 110 N 8.38 0.00 -0.30 -0.14 -0.02 -1.26 -4.42 135.00 137.23 2i96 n PRO 110 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2i96 n PRO 110 Cb 0.21 -0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.73 2i96 n PRO 110 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2i96 n LYS 111 N 0.02 -0.16 0.15 -0.52 2.85 -1.22 -4.51 118.16 114.76 2i96 n LYS 111 Ca 0.00 1.23 0.00 0.00 -1.05 0.00 0.00 58.31 58.49 2i96 n LYS 111 Cb 0.00 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.55 2i96 n LYS 111 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2i96 n LEU 112 N -5.20 -0.31 -3.20 -5.58 7.94 -1.26 -5.08 117.00 104.31 2i96 n LEU 112 Ca 0.09 0.50 -0.08 0.00 -1.11 0.00 0.00 56.01 55.41 2i96 n LEU 112 Cb 0.34 0.52 -0.04 0.00 0.53 0.00 0.00 43.42 44.77 2i96 n LEU 112 CO -0.11 -0.75 -0.02 0.21 -1.11 0.00 0.00 177.39 175.61 2i96 s ASN 113 N -4.85 -0.37 -0.39 1.96 2.47 -1.26 -5.07 114.94 107.42 2i96 s ASN 113 Ca 0.00 -1.39 0.03 0.00 0.42 0.00 0.00 52.86 51.92 2i96 s ASN 113 Cb 0.00 1.30 0.16 0.00 -1.45 0.00 0.00 41.25 41.26 2i96 s ASN 113 CO 0.00 -0.18 0.34 -1.59 -3.72 0.00 0.00 177.10 171.95 2i96 s LYS 114 N 1.40 0.75 -0.19 0.43 -2.85 -1.26 -5.12 119.74 112.90 2i96 s LYS 114 Ca 0.20 -1.54 -0.20 0.00 -1.00 0.00 0.00 55.97 53.43 2i96 s LYS 114 Cb -0.07 -1.14 -0.03 0.00 -2.06 0.00 0.00 37.83 34.54 2i96 s LYS 114 CO -0.06 -1.29 0.59 -1.25 0.10 0.00 0.00 175.35 173.44 2i96 s PRO 115 N 0.70 4.22 0.00 1.78 0.04 -1.26 -4.88 135.00 135.59 2i96 s PRO 115 Ca 0.25 0.55 0.30 0.00 0.04 0.00 0.00 61.00 62.13 2i96 s PRO 115 Cb -0.09 -3.56 1.45 0.00 0.04 0.00 0.00 34.50 32.34 2i96 s PRO 115 CO -0.09 -0.18 1.97 -0.35 0.04 0.00 0.00 177.00 178.39 2i96 n PRO 116 N 4.87 1.11 -0.32 0.56 -0.05 -1.26 -4.55 135.00 135.36 2i96 n PRO 116 Ca -0.03 -0.36 -0.08 0.00 -0.05 0.00 0.00 63.50 62.98 2i96 n PRO 116 Cb 0.50 -1.49 -0.07 0.00 -0.05 0.00 0.00 33.50 32.39 2i96 n PRO 116 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2i96 n GLU 117 N -0.62 -0.32 -3.28 0.54 4.71 -1.26 -3.92 120.64 116.48 2i96 n GLU 117 Ca 0.20 1.17 -0.08 0.00 -0.01 0.00 0.00 57.16 58.44 2i96 n GLU 117 Cb 0.23 -1.72 -0.05 0.00 -1.01 0.00 0.00 31.44 28.89 2i96 n GLU 117 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2i96 s THR 118 N -5.42 -0.66 0.00 2.62 2.01 -1.26 -5.08 115.64 107.85 2i96 s THR 118 Ca -0.09 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2i96 s THR 118 Cb 0.09 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2i96 s THR 118 CO 0.49 -0.28 0.00 -0.11 -0.69 0.00 0.00 174.62 174.03 2i96 n LEU 119 N 4.77 0.00 -4.51 4.42 7.94 -1.25 -4.91 117.00 123.46 2i96 n LEU 119 Ca 0.07 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.55 2i96 n LEU 119 Cb 0.50 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 2i96 n LEU 119 CO 0.02 0.00 1.26 -0.51 -1.11 0.00 0.00 177.39 177.05 2i96 s ILE 120 N 0.00 4.24 -0.24 1.96 1.10 -1.26 -4.68 121.20 122.32 2i96 s ILE 120 Ca 0.00 -1.04 -0.11 0.00 -0.51 0.00 0.00 60.65 58.98 2i96 s ILE 120 Cb 0.00 -4.94 -0.17 0.00 0.15 0.00 0.00 42.46 37.50 2i96 s ILE 120 CO 0.00 -1.76 -0.09 0.41 -2.11 0.00 0.00 174.94 171.40 2i96 n THR 121 N 6.31 1.56 -2.81 4.00 -1.04 -1.26 -5.09 114.28 115.94 2i96 n THR 121 Ca 0.28 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2i96 n THR 121 Cb 0.50 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 2i96 n THR 121 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2i96 n THR 122 N -3.97 0.00 0.19 12.58 5.66 -1.26 -5.07 114.28 122.40 2i96 n THR 122 Ca -0.44 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.42 2i96 n THR 122 Cb 0.88 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.58 2i96 n THR 122 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2i96 h ILE 123 N 0.80 0.65 -1.16 1.09 2.04 -1.99 -3.49 117.51 115.46 2i96 h ILE 123 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2i96 h ILE 123 Cb 0.00 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2i96 h ILE 123 CO 0.00 0.09 0.00 -0.67 0.00 0.00 0.00 178.15 177.57 2i96 n ASP 124 N -5.19 0.00 -4.64 1.72 -0.08 -1.26 -5.18 116.55 101.93 2i96 n ASP 124 Ca -0.10 -0.54 -0.21 0.00 -1.51 0.00 0.00 54.79 52.42 2i96 n ASP 124 Cb 0.26 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.75 2i96 n ASP 124 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2i96 n SER 125 N -0.33 2.34 0.00 1.67 7.64 -1.26 -5.12 113.62 118.56 2i96 n SER 125 Ca 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2i96 n SER 125 Cb 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2i96 n SER 125 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2i96 n SER 126 N -2.06 0.00 -0.01 6.43 2.88 -1.26 -4.97 113.62 114.63 2i96 n SER 126 Ca 0.05 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.60 2i96 n SER 126 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2i96 n SER 126 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2i96 n SER 127 N -0.03 3.80 -0.59 -3.46 7.64 -1.26 -5.34 113.62 114.37 2i96 n SER 127 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 2i96 n SER 127 Cb 0.00 1.01 0.06 0.00 -1.01 0.00 0.00 64.21 64.27 2i96 n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83