#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i96 n ALA 22 N 0.00 0.00 -3.32 3.04 0.00 -1.26 -4.70 120.51 114.27 2i96 n ALA 22 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2i96 n ALA 22 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2i96 n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i96 s GLU 23 N 0.00 1.27 0.08 0.00 2.56 -1.26 -5.08 118.70 116.28 2i96 s GLU 23 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 54.97 54.00 2i96 s GLU 23 Cb 0.00 0.55 -0.17 0.00 2.00 0.00 0.00 34.13 36.51 2i96 s GLU 23 CO 0.00 -0.54 1.58 1.96 -0.56 0.00 0.00 175.26 177.70 2i96 h GLN 24 N 2.12 -0.95 -3.31 4.30 7.50 -2.03 -3.32 115.11 119.42 2i96 h GLN 24 Ca -0.32 0.07 -0.68 0.00 0.50 0.00 0.00 58.65 58.22 2i96 h GLN 24 Cb 1.29 0.22 0.01 0.00 0.05 0.00 0.00 27.48 29.04 2i96 h GLN 24 CO 0.39 -0.64 3.62 0.43 -1.50 0.00 0.00 178.83 181.14 2i96 n SER 25 N -5.55 7.26 -0.59 1.46 7.64 -1.26 -4.90 113.62 117.68 2i96 n SER 25 Ca -0.12 -2.64 0.04 0.00 1.01 0.00 0.00 58.87 57.15 2i96 n SER 25 Cb 0.44 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.06 2i96 n SER 25 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2i96 n ASP 26 N 4.34 -3.53 0.07 6.43 9.92 -1.25 -4.01 116.55 128.52 2i96 n ASP 26 Ca 0.70 0.29 0.13 0.00 -0.53 0.00 0.00 54.79 55.38 2i96 n ASP 26 Cb 0.28 -0.82 0.48 0.00 -0.64 0.00 0.00 41.12 40.41 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2i96 n GLU 27 N -1.62 0.15 -2.53 -1.24 1.02 -1.26 -4.23 120.64 110.92 2i96 n GLU 27 Ca 0.00 0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 2i96 n GLU 27 Cb 0.12 -1.69 0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.67 -1.87 -1.70 0.62 0.00 -1.26 -4.89 120.51 109.74 2i96 n ALA 28 Ca 0.05 0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 2i96 n ALA 28 Cb 0.35 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 2i96 n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i96 s VAL 29 N -3.15 3.12 -0.23 0.00 0.11 -1.26 -4.94 120.40 114.05 2i96 s VAL 29 Ca 0.18 0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.22 2i96 s VAL 29 Cb -0.02 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 2i96 s VAL 29 CO 0.46 -0.20 0.16 -0.54 -3.33 0.00 0.00 175.10 171.65 2i96 s LYS 30 N 7.21 4.11 0.14 1.54 1.02 -1.26 -4.96 119.74 127.53 2i96 s LYS 30 Ca 0.91 -0.23 -0.22 0.00 0.02 0.00 0.00 55.97 56.45 2i96 s LYS 30 Cb -0.21 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.51 2i96 s LYS 30 CO 0.29 0.12 0.68 0.71 -0.92 0.00 0.00 175.35 176.23 2i96 s TYR 31 N 0.89 3.81 0.00 3.18 2.02 -1.26 -1.50 117.35 124.48 2i96 s TYR 31 Ca 0.08 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 2i96 s TYR 31 Cb -0.13 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.81 2i96 s TYR 31 CO 0.03 0.51 0.00 0.66 -1.57 0.00 0.00 175.55 175.18 2i96 n TYR 32 N 1.45 0.00 -4.44 2.71 4.02 0.19 -4.82 117.16 116.27 2i96 n TYR 32 Ca -0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.62 2i96 n TYR 32 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.68 2i96 n TYR 32 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2i96 s THR 33 N 1.60 1.05 0.15 -0.72 -4.23 -1.26 -0.78 115.64 111.46 2i96 s THR 33 Ca 0.00 -0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 2i96 s THR 33 Cb 0.00 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.94 2i96 s THR 33 CO 0.00 0.12 1.73 0.25 -0.54 0.00 0.00 174.62 176.18 2i96 h LEU 34 N 5.30 0.01 -2.06 4.79 5.85 -1.96 -1.64 115.31 125.60 2i96 h LEU 34 Ca -0.36 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.49 2i96 h LEU 34 Cb 1.17 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2i96 h LEU 34 CO 0.46 0.04 0.20 -0.33 -0.34 0.00 0.00 178.44 178.48 2i96 h GLU 35 N 0.18 0.00 0.00 1.25 3.07 -1.97 -2.17 114.58 114.94 2i96 h GLU 35 Ca 0.16 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.82 2i96 h GLU 35 Cb 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 2i96 h GLU 35 CO -0.21 0.00 -1.03 1.49 -1.40 0.00 0.00 179.01 177.87 2i96 h GLU 36 N 0.00 0.00 0.00 2.33 4.81 -1.71 -3.20 114.58 116.81 2i96 h GLU 36 Ca 0.12 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2i96 h GLU 36 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2i96 h GLU 36 CO -0.00 0.76 -0.20 0.82 -0.73 0.00 0.00 179.01 179.65 2i96 h ILE 37 N 0.00 0.38 -0.05 2.32 2.04 -1.18 -2.75 117.51 118.28 2i96 h ILE 37 Ca -0.06 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 2i96 h ILE 37 Cb 1.71 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 2i96 h ILE 37 CO 0.10 0.20 -0.12 1.56 0.00 0.00 0.00 178.15 179.89 2i96 h GLN 38 N 0.00 0.07 -0.04 2.37 1.08 -1.53 -1.99 115.11 115.07 2i96 h GLN 38 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2i96 h GLN 38 Cb 1.02 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2i96 h GLN 38 CO 0.03 0.20 0.00 1.17 -0.95 0.00 0.00 178.83 179.27 2i96 n LYS 39 N -4.36 1.15 -0.49 1.46 4.81 -1.04 -2.92 118.16 116.77 2i96 n LYS 39 Ca -0.02 -0.22 0.07 0.00 -0.87 0.00 0.00 58.31 57.27 2i96 n LYS 39 Cb 0.22 -1.29 0.14 0.00 0.02 0.00 0.00 35.03 34.12 2i96 n LYS 39 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2i96 n HIS 40 N -0.54 0.00 -0.98 5.64 8.25 -0.75 -4.65 115.22 122.18 2i96 n HIS 40 Ca 0.13 -1.06 0.04 0.00 -0.26 0.00 0.00 57.72 56.56 2i96 n HIS 40 Cb 0.11 -0.18 0.35 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.96 5.05 -1.37 0.41 2.04 -1.15 -0.10 115.26 119.19 2i96 n ASN 41 Ca 0.15 -3.06 0.00 0.00 -0.44 0.00 0.00 54.58 51.23 2i96 n ASN 41 Cb 0.72 -0.67 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 2i96 n ASN 41 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2i96 n HIS 42 N 0.13 0.00 0.04 -2.53 1.44 -0.91 -4.83 115.22 108.56 2i96 n HIS 42 Ca 0.30 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.90 2i96 n HIS 42 Cb 1.19 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 31.23 2i96 n HIS 42 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2i96 h SER 43 N 0.00 -1.17 -0.07 4.39 4.64 -1.96 -2.99 113.55 116.39 2i96 h SER 43 Ca 0.00 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2i96 h SER 43 Cb 0.00 0.44 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2i96 h SER 43 CO 0.00 -0.37 0.05 0.11 -0.87 0.00 0.00 176.83 175.75 2i96 h LYS 44 N -0.48 0.00 -2.43 4.77 1.79 -1.97 -3.42 116.57 114.83 2i96 h LYS 44 Ca 0.01 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 2i96 h LYS 44 Cb 0.51 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.94 2i96 h LYS 44 CO -0.25 0.00 -0.07 -1.12 -1.08 0.00 0.00 179.45 176.93 2i96 s SER 45 N -6.81 -0.55 -0.32 0.86 0.01 -1.13 -5.08 113.70 100.68 2i96 s SER 45 Ca -0.05 1.02 0.01 0.00 1.31 0.00 0.00 55.95 58.24 2i96 s SER 45 Cb 0.17 1.04 0.10 0.00 0.21 0.00 0.00 66.02 67.54 2i96 s SER 45 CO 0.66 -0.23 0.08 -0.89 0.41 0.00 0.00 173.24 173.27 2i96 s THR 46 N 0.12 1.34 0.49 1.44 2.01 -1.22 -2.15 115.64 117.66 2i96 s THR 46 Ca -0.01 -1.71 0.08 0.00 0.31 0.00 0.00 61.69 60.36 2i96 s THR 46 Cb -0.04 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.50 2i96 s THR 46 CO 0.01 -0.65 0.54 0.26 -0.69 0.00 0.00 174.62 174.09 2i96 s TRP 47 N 1.38 2.13 0.35 4.92 0.51 0.86 -1.40 118.94 127.70 2i96 s TRP 47 Ca 0.10 -0.61 -0.11 0.00 -2.12 0.00 0.00 56.10 53.35 2i96 s TRP 47 Cb -0.18 -2.17 0.03 0.00 -0.81 0.00 0.00 33.47 30.34 2i96 s TRP 47 CO -0.20 -0.55 0.66 -0.48 -0.51 0.00 0.00 176.95 175.87 2i96 s LEU 48 N -4.36 0.36 0.03 2.99 2.34 -0.31 -1.50 118.68 118.23 2i96 s LEU 48 Ca 0.50 -1.21 0.04 0.00 0.06 0.00 0.00 54.13 53.52 2i96 s LEU 48 Cb -0.05 2.29 -0.02 0.00 -0.56 0.00 0.00 46.19 47.85 2i96 s LEU 48 CO 0.31 -1.50 -0.13 -0.63 -1.06 0.00 0.00 176.35 173.34 2i96 s ILE 49 N -2.79 1.02 -0.14 1.48 1.01 0.97 -0.33 121.20 122.43 2i96 s ILE 49 Ca 0.21 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2i96 s ILE 49 Cb -0.03 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2i96 s ILE 49 CO 0.14 0.05 0.13 0.18 0.00 0.00 0.00 174.94 175.45 2i96 n LEU 50 N 2.13 0.14 0.00 2.97 4.77 -1.19 -0.02 117.00 125.79 2i96 n LEU 50 Ca -0.17 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2i96 n LEU 50 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2i96 n LEU 50 CO 0.23 0.03 0.00 1.41 -1.33 0.00 0.00 177.39 177.74 2i96 n HIS 51 N -1.16 -0.43 0.00 -1.77 8.25 -1.26 -4.24 115.22 114.61 2i96 n HIS 51 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2i96 n HIS 51 Cb 0.06 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2i96 n HIS 51 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i96 n HIS 52 N -1.43 0.00 -3.35 4.41 8.25 -1.26 -5.13 115.22 116.71 2i96 n HIS 52 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2i96 n HIS 52 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.06 4.01 -0.13 -0.41 1.02 -1.26 -2.30 119.74 120.61 2i96 s LYS 53 Ca 0.00 0.52 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 2i96 s LYS 53 Cb 0.00 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 2i96 s LYS 53 CO 0.00 0.51 0.36 0.54 -0.92 0.00 0.00 175.35 175.83 2i96 s VAL 54 N -1.40 5.24 0.29 3.17 0.11 0.17 -3.15 120.40 124.83 2i96 s VAL 54 Ca 0.36 0.69 0.08 0.00 -2.93 0.00 0.00 61.98 60.19 2i96 s VAL 54 Cb -0.16 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2i96 s VAL 54 CO 0.19 0.40 0.10 -0.31 -3.33 0.00 0.00 175.10 172.16 2i96 s TYR 55 N 0.25 2.79 0.03 1.54 1.51 0.55 -1.19 117.35 122.83 2i96 s TYR 55 Ca 0.20 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2i96 s TYR 55 Cb -0.14 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 2i96 s TYR 55 CO 0.07 0.48 -0.18 0.34 -1.11 0.00 0.00 175.55 175.15 2i96 s ASP 56 N -3.78 2.11 0.00 2.29 2.15 -0.61 -1.16 116.67 117.65 2i96 s ASP 56 Ca 0.34 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.87 2i96 s ASP 56 Cb -0.05 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 2i96 s ASP 56 CO 0.22 0.13 0.00 0.18 -0.17 0.00 0.00 175.17 175.53 2i96 n LEU 57 N 2.05 0.00 0.00 -1.34 7.99 -0.49 -4.89 117.00 120.33 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 0.54 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2i96 n LEU 57 CO 0.23 -0.35 0.00 0.41 -1.51 0.00 0.00 177.39 176.18 2i96 n THR 58 N -2.09 0.00 0.04 -5.08 -1.04 -1.21 -1.38 114.28 103.52 2i96 n THR 58 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2i96 n THR 58 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.47 0.00 -2.82 1.57 -1.94 -3.31 116.57 110.55 2i96 h LYS 59 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2i96 h LYS 59 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2i96 h LYS 59 CO 0.00 1.04 0.00 0.34 -0.57 0.00 0.00 179.45 180.26 2i96 n PHE 60 N -3.84 0.00 -0.25 -1.35 7.35 -0.48 -3.98 117.46 114.92 2i96 n PHE 60 Ca -0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.53 2i96 n PHE 60 Cb 0.74 -0.49 -0.08 0.00 0.35 0.00 0.00 39.48 40.00 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 -1.85 -0.01 -2.13 3.38 -1.81 -0.31 115.31 112.58 2i96 h LEU 61 Ca 0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2i96 h LEU 61 Cb 0.13 0.80 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2i96 h LEU 61 CO 0.00 -0.33 -0.12 -0.62 0.09 0.00 0.00 178.44 177.45 2i96 n GLU 62 N -5.35 0.05 0.00 1.13 1.02 -1.26 -3.60 120.64 112.63 2i96 n GLU 62 Ca -0.00 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2i96 n GLU 62 Cb 0.32 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 2i96 n GLU 62 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2i96 n GLU 63 N -1.46 0.69 -2.73 3.49 2.13 -0.20 -4.87 120.64 117.69 2i96 n GLU 63 Ca 0.07 -0.57 -0.42 0.00 0.66 0.00 0.00 57.16 56.90 2i96 n GLU 63 Cb 0.33 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.53 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2i96 s HIS 64 N -2.70 3.46 0.31 4.31 2.46 -0.78 -4.96 115.29 117.39 2i96 s HIS 64 Ca 0.14 1.49 0.02 0.00 0.47 0.00 0.00 55.06 57.19 2i96 s HIS 64 Cb 0.17 -3.17 0.52 0.00 -0.13 0.00 0.00 32.58 29.98 2i96 s HIS 64 CO 0.70 -0.28 1.84 -1.00 -2.47 0.00 0.00 174.74 173.53 2i96 h PRO 65 N 7.22 0.61 -0.88 2.88 0.13 -1.93 -3.25 132.00 136.77 2i96 h PRO 65 Ca -0.28 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 2i96 h PRO 65 Cb 1.13 -0.08 -0.41 0.00 0.13 0.00 0.00 31.00 31.77 2i96 h PRO 65 CO 0.88 0.63 -0.54 0.41 -0.23 0.00 0.00 178.00 179.15 2i96 n GLY 66 N -0.81 6.28 0.00 1.56 0.00 -1.26 -5.01 105.19 105.95 2i96 n GLY 66 Ca 0.02 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.71 2.37 2.04 -0.02 0.00 -1.23 -5.02 105.19 102.62 2i96 n GLY 67 Ca 0.46 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.61 0.00 -0.06 1.61 2.13 -1.26 -4.38 120.64 118.07 2i96 n GLU 68 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2i96 n GLU 68 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2i96 n GLU 68 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2i96 h GLU 69 N 0.00 -0.01 0.00 5.31 4.57 -1.99 -3.34 114.58 119.11 2i96 h GLU 69 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2i96 h GLU 69 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2i96 h GLU 69 CO 0.00 0.77 0.00 1.33 -1.18 0.00 0.00 179.01 179.93 2i96 n VAL 70 N -4.67 0.00 0.05 0.32 0.24 -1.26 -1.74 118.33 111.27 2i96 n VAL 70 Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 2i96 n VAL 70 Cb 0.38 -0.63 0.04 0.00 -1.47 0.00 0.00 33.84 32.16 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 0.00 0.47 -0.89 1.34 3.38 -1.93 -3.34 115.31 114.34 2i96 h LEU 71 Ca 0.00 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 57.83 2i96 h LEU 71 Cb 0.00 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 2i96 h LEU 71 CO 0.00 1.03 0.47 0.03 0.09 0.00 0.00 178.44 180.07 2i96 h ARG 72 N 0.28 0.61 -0.18 1.13 3.08 -1.55 -2.41 114.38 115.33 2i96 h ARG 72 Ca -0.03 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2i96 h ARG 72 Cb 1.27 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2i96 h ARG 72 CO 0.12 0.40 0.14 1.49 -1.07 0.00 0.00 179.97 181.05 2i96 h GLU 73 N 0.63 0.00 -0.00 0.04 4.81 -1.78 0.40 114.58 118.67 2i96 h GLU 73 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2i96 h GLU 73 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2i96 h GLU 73 CO -0.39 0.00 -0.68 1.04 -0.73 0.00 0.00 179.01 178.25 2i96 n GLN 74 N -4.41 1.36 -3.28 1.92 1.13 -0.92 -4.98 117.38 108.20 2i96 n GLN 74 Ca 0.01 -0.28 -0.32 0.00 -1.94 0.00 0.00 57.00 54.47 2i96 n GLN 74 Cb 0.27 -1.33 -0.06 0.00 0.11 0.00 0.00 30.24 29.24 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 -2.46 3.45 0.00 -1.58 0.00 0.13 -4.04 121.76 117.26 2i96 s ALA 75 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2i96 s ALA 75 Cb 0.14 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.66 2i96 s ALA 75 CO 0.63 0.42 0.00 0.41 0.00 0.00 0.00 175.76 177.23 2i96 n GLY 76 N -0.17 2.82 0.00 0.00 0.00 -0.56 -4.72 105.19 102.55 2i96 n GLY 76 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.93 4.25 3.80 -0.02 0.00 -1.26 -3.24 105.19 107.79 2i96 n GLY 77 Ca 0.00 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2i96 n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i96 s ASP 78 N 1.53 6.15 0.00 1.61 -1.08 -1.26 -0.02 116.67 123.60 2i96 s ASP 78 Ca 0.00 1.89 0.00 0.00 -0.52 0.00 0.00 52.55 53.92 2i96 s ASP 78 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2i96 s ASP 78 CO 0.00 -0.92 0.57 0.00 0.52 0.00 0.00 175.17 175.34 2i96 n ALA 79 N -1.35 1.25 0.58 3.66 0.00 0.97 -4.81 120.51 120.80 2i96 n ALA 79 Ca 0.09 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 53.02 2i96 n ALA 79 Cb 0.53 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.14 0.72 -0.23 0.00 5.66 -1.26 -2.10 114.28 116.94 2i96 n THR 80 Ca 0.00 0.18 0.02 0.00 -3.05 0.00 0.00 64.05 61.20 2i96 n THR 80 Cb 0.36 -0.97 0.10 0.00 -1.55 0.00 0.00 70.33 68.27 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 0.06 -0.38 1.09 4.57 -1.93 -1.54 114.58 116.45 2i96 h GLU 81 Ca 0.00 -0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 2i96 h GLU 81 Cb 0.13 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2i96 h GLU 81 CO 0.00 0.04 -0.31 -0.97 -1.18 0.00 0.00 179.01 176.59 2i96 h ASN 82 N 0.06 0.87 0.50 1.04 -0.73 -1.84 -3.27 115.58 112.21 2i96 h ASN 82 Ca 0.35 -0.36 -0.10 0.00 1.87 0.00 0.00 56.30 58.06 2i96 h ASN 82 Cb 0.57 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 2i96 h ASN 82 CO -0.64 1.11 -0.49 0.15 -0.37 0.00 0.00 177.43 177.19 2i96 h PHE 83 N 0.71 0.00 -0.01 0.67 3.57 -1.44 -2.55 116.94 117.89 2i96 h PHE 83 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2i96 h PHE 83 Cb 0.86 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2i96 h PHE 83 CO 0.05 0.49 -0.14 0.39 -2.23 0.00 0.00 178.31 176.86 2i96 n GLU 84 N -3.95 1.17 -0.11 1.11 1.02 -0.84 -2.30 120.64 116.75 2i96 n GLU 84 Ca -0.02 -0.67 -0.24 0.00 -0.02 0.00 0.00 57.16 56.21 2i96 n GLU 84 Cb 0.51 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.33 1.95 0.00 1.62 2.03 -0.98 -4.91 116.55 115.93 2i96 n ASP 85 Ca 0.15 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2i96 n ASP 85 Cb 0.35 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 2i96 n ASP 85 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2i96 n VAL 86 N -4.08 0.00 -2.28 5.18 0.24 -1.06 -5.15 118.33 111.17 2i96 n VAL 86 Ca -0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2i96 n VAL 86 Cb 0.85 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 2i96 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i96 n GLY 87 N 1.96 -0.70 0.49 7.63 0.00 -0.97 -4.99 105.19 108.61 2i96 n GLY 87 Ca 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.11 -4.28 1.61 8.25 -1.26 -4.92 115.22 114.73 2i96 n HIS 88 Ca 0.00 -0.36 -0.12 0.00 -0.26 0.00 0.00 57.72 56.98 2i96 n HIS 88 Cb 0.00 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.38 2.45 -0.25 0.41 3.41 -1.26 -5.03 113.62 111.96 2i96 n SER 89 Ca -0.02 -1.83 0.15 0.00 -0.26 0.00 0.00 58.87 56.91 2i96 n SER 89 Cb 0.09 0.15 0.44 0.00 -0.26 0.00 0.00 64.21 64.62 2i96 n SER 89 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2i96 h THR 90 N 1.11 0.76 -0.38 6.66 2.02 -2.02 -2.54 112.91 118.50 2i96 h THR 90 Ca -0.16 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2i96 h THR 90 Cb 0.48 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 2i96 h THR 90 CO 0.26 0.10 -0.16 0.44 0.37 0.00 0.00 175.52 176.53 2i96 h ASP 91 N 0.55 -0.56 -0.18 4.18 5.19 -2.02 -2.18 116.42 121.41 2i96 h ASP 91 Ca 0.46 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 2i96 h ASP 91 Cb 0.93 0.32 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2i96 h ASP 91 CO -0.20 -0.20 0.00 0.00 -3.12 0.00 0.00 179.24 175.72 2i96 n ALA 92 N -2.80 2.48 0.81 3.45 0.00 -0.96 -1.61 120.51 121.88 2i96 n ALA 92 Ca 0.02 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.25 2i96 n ALA 92 Cb 0.26 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.80 2i96 n ALA 92 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2i96 n ARG 93 N 0.02 0.12 0.00 0.00 1.85 -0.82 -4.23 116.66 113.61 2i96 n ARG 93 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2i96 n ARG 93 Cb 0.16 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 2i96 n ARG 93 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2i96 n GLU 94 N -1.70 0.00 0.28 2.89 4.07 -1.01 -4.72 120.64 120.45 2i96 n GLU 94 Ca 0.04 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.32 2i96 n GLU 94 Cb 0.38 -0.67 0.85 0.00 -0.06 0.00 0.00 31.44 31.94 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 2i96 h MET 95 N 0.00 0.00 -0.00 5.31 4.05 -1.54 -2.87 114.93 119.88 2i96 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2i96 h MET 95 Cb 0.90 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 2i96 h MET 95 CO 0.00 0.00 -0.50 -1.13 0.23 0.00 0.00 176.91 175.51 2i96 n SER 96 N -2.97 0.56 0.26 1.39 3.41 -1.26 -4.29 113.62 110.72 2i96 n SER 96 Ca -0.01 -0.33 0.09 0.00 -0.26 0.00 0.00 58.87 58.36 2i96 n SER 96 Cb 0.21 0.27 0.65 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.10 0.00 -0.55 4.33 1.79 -1.80 0.91 116.57 121.34 2i96 h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2i96 h LYS 97 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2i96 h LYS 97 CO 0.00 0.03 0.00 0.25 -1.08 0.00 0.00 179.45 178.65 2i96 n THR 98 N -4.41 0.73 0.59 -0.16 -2.24 -1.26 -3.71 114.28 103.82 2i96 n THR 98 Ca -0.03 -0.82 0.10 0.00 -2.27 0.00 0.00 64.05 61.04 2i96 n THR 98 Cb 0.12 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 68.83 2i96 n THR 98 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2i96 n PHE 99 N 1.41 0.02 -2.38 4.78 3.72 0.30 -4.86 117.46 120.46 2i96 n PHE 99 Ca 0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.20 2i96 n PHE 99 Cb 0.57 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 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 -3.21 3.82 -0.21 4.37 1.01 -1.15 -1.58 121.20 124.25 2i96 s ILE 100 Ca 0.02 0.75 0.22 0.00 0.00 0.00 0.00 60.65 61.63 2i96 s ILE 100 Cb 0.15 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2i96 s ILE 100 CO 0.88 -1.04 0.97 2.30 0.00 0.00 0.00 174.94 178.05 2i96 n ILE 101 N 6.93 0.60 -3.10 2.92 -5.35 -0.33 -4.99 119.36 116.03 2i96 n ILE 101 Ca 0.14 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2i96 n ILE 101 Cb 0.49 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 2i96 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i96 n GLY 102 N 1.20 -0.55 2.99 3.28 0.00 -1.19 -4.70 105.19 106.23 2i96 n GLY 102 Ca -0.01 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 0.57 -1.63 1.61 1.02 -0.57 -0.66 120.64 120.99 2i96 n GLU 103 Ca 0.00 -3.08 -0.29 0.00 -0.02 0.00 0.00 57.16 53.77 2i96 n GLU 103 Cb 0.00 1.82 0.13 0.00 -0.02 0.00 0.00 31.44 33.37 2i96 n GLU 103 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i96 s LEU 104 N 0.00 2.12 0.59 -4.62 1.43 -0.97 -0.64 118.68 116.59 2i96 s LEU 104 Ca 0.22 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 53.98 2i96 s LEU 104 Cb 0.01 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 2i96 s LEU 104 CO 0.15 -2.50 0.94 1.57 0.23 0.00 0.00 176.35 176.73 2i96 n HIS 105 N -3.72 0.73 -0.63 0.29 -0.00 0.04 -3.94 115.22 108.00 2i96 n HIS 105 Ca 0.08 0.44 0.49 0.00 -0.00 0.00 0.00 57.72 58.73 2i96 n HIS 105 Cb 0.60 -2.13 0.77 0.00 -0.00 0.00 0.00 29.99 29.23 2i96 n HIS 105 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2i96 h PRO 106 N 0.50 0.00 0.18 1.57 0.11 -1.95 0.34 132.00 132.76 2i96 h PRO 106 Ca -0.48 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.29 2i96 h PRO 106 Cb 1.37 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.48 2i96 h PRO 106 CO 0.51 0.00 -1.66 -0.44 -0.21 0.00 0.00 178.00 176.20 2i96 h ASP 107 N 0.00 0.59 1.57 -2.05 3.32 -1.96 -3.32 116.42 114.56 2i96 h ASP 107 Ca 0.87 -0.82 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2i96 h ASP 107 Cb 3.61 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 42.96 2i96 h ASP 107 CO -0.01 1.69 -0.44 0.44 -1.72 0.00 0.00 179.24 179.19 2i96 h ASP 108 N 0.10 0.00 -0.05 6.45 3.32 -1.14 0.04 116.42 125.14 2i96 h ASP 108 Ca -0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 2i96 h ASP 108 Cb 2.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.64 2i96 h ASP 108 CO 0.19 0.32 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.91 2i96 h ARG 109 N 0.00 0.10 -0.02 3.56 1.12 -0.56 -3.11 114.38 115.48 2i96 h ARG 109 Ca -0.02 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2i96 h ARG 109 Cb 1.25 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 2i96 h ARG 109 CO 0.04 0.49 -0.27 -0.35 -3.11 0.00 0.00 179.97 176.77 2i96 n PRO 110 N -4.81 1.62 -1.75 0.20 -0.04 -1.26 -4.95 135.00 124.00 2i96 n PRO 110 Ca -0.07 -1.28 -0.01 0.00 -0.04 0.00 0.00 63.50 62.09 2i96 n PRO 110 Cb 0.25 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 2i96 n PRO 110 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2i96 n LYS 111 N 0.44 -1.92 -2.97 0.54 5.02 -1.16 -4.83 118.16 113.27 2i96 n LYS 111 Ca 0.10 1.72 -0.06 0.00 -2.02 0.00 0.00 58.31 58.06 2i96 n LYS 111 Cb 0.48 -2.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.11 2i96 n LYS 111 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2i96 n LEU 112 N 0.69 -5.86 -0.74 -0.35 7.94 -0.01 -4.82 117.00 113.85 2i96 n LEU 112 Ca -0.10 -0.31 0.10 0.00 -1.11 0.00 0.00 56.01 54.59 2i96 n LEU 112 Cb 0.15 -3.01 -0.03 0.00 0.53 0.00 0.00 43.42 41.06 2i96 n LEU 112 CO 0.09 -0.53 -0.15 0.59 -1.11 0.00 0.00 177.39 176.28 2i96 n ASN 113 N -2.28 -4.41 -3.83 1.96 5.03 -1.26 -4.97 115.26 105.51 2i96 n ASN 113 Ca -0.03 0.32 -0.16 0.00 0.87 0.00 0.00 54.58 55.58 2i96 n ASN 113 Cb 0.55 -2.26 -0.16 0.00 -1.02 0.00 0.00 39.78 36.89 2i96 n ASN 113 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2i96 s LYS 114 N -1.74 0.22 -0.12 3.52 -2.85 -1.26 -4.65 119.74 112.86 2i96 s LYS 114 Ca 0.00 0.07 -0.19 0.00 -1.00 0.00 0.00 55.97 54.85 2i96 s LYS 114 Cb 0.00 -0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 35.35 2i96 s LYS 114 CO 0.00 -0.11 0.50 -1.25 0.10 0.00 0.00 175.35 174.60 2i96 s PRO 115 N 0.83 4.33 -0.06 1.78 0.04 -1.26 -5.01 135.00 135.66 2i96 s PRO 115 Ca -0.08 0.49 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 2i96 s PRO 115 Cb -0.11 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 2i96 s PRO 115 CO -0.02 0.11 -0.05 -1.00 0.04 0.00 0.00 177.00 176.08 2i96 h PRO 116 N 6.82 0.00 -3.74 0.56 0.14 -2.02 -3.46 132.00 130.29 2i96 h PRO 116 Ca -0.40 0.00 -0.55 0.00 0.14 0.00 0.00 66.00 65.19 2i96 h PRO 116 Cb 1.18 0.00 -0.39 0.00 0.14 0.00 0.00 31.00 31.92 2i96 h PRO 116 CO 0.75 0.00 -0.77 -1.21 0.14 0.00 0.00 178.00 176.92 2i96 s GLU 117 N -1.46 0.90 -0.96 0.86 2.02 -1.26 -4.86 118.70 113.94 2i96 s GLU 117 Ca -0.04 -0.65 -0.09 0.00 0.02 0.00 0.00 54.97 54.21 2i96 s GLU 117 Cb 0.01 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 2i96 s GLU 117 CO 0.06 -0.68 0.77 2.41 0.02 0.00 0.00 175.26 177.84 2i96 n THR 118 N 4.93 -7.48 0.00 3.63 -1.04 -1.26 -4.42 114.28 108.64 2i96 n THR 118 Ca -0.09 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.22 2i96 n THR 118 Cb 0.46 -5.37 0.00 0.00 -1.82 0.00 0.00 70.33 63.60 2i96 n THR 118 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2i96 n LEU 119 N -3.06 0.00 0.00 -4.42 7.99 -1.26 -4.52 117.00 111.73 2i96 n LEU 119 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2i96 n LEU 119 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 2i96 n LEU 119 CO 0.61 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.49 2i96 n ILE 120 N 0.00 0.00 -2.68 -0.08 0.00 -1.26 -3.80 119.36 111.54 2i96 n ILE 120 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 62.75 62.33 2i96 n ILE 120 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 39.64 39.61 2i96 n ILE 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2i96 s THR 121 N 0.00 4.18 -0.25 9.51 -4.23 -1.26 -4.98 115.64 118.61 2i96 s THR 121 Ca 0.00 -1.03 -0.20 0.00 -1.18 0.00 0.00 61.69 59.28 2i96 s THR 121 Cb 0.00 -4.97 -0.02 0.00 1.34 0.00 0.00 72.50 68.85 2i96 s THR 121 CO 0.00 -1.80 0.62 -0.89 -0.54 0.00 0.00 174.62 172.01 2i96 s THR 122 N 4.24 5.00 -0.94 3.99 2.01 -1.26 -4.90 115.64 123.77 2i96 s THR 122 Ca 0.42 1.12 0.24 0.00 0.31 0.00 0.00 61.69 63.78 2i96 s THR 122 Cb -0.02 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2i96 s THR 122 CO -0.10 0.04 1.30 -0.38 -0.69 0.00 0.00 174.62 174.80 2i96 n ILE 123 N 5.13 0.04 -1.10 1.82 5.41 -1.26 -4.36 119.36 125.04 2i96 n ILE 123 Ca -0.01 -0.04 -0.19 0.00 1.00 0.00 0.00 62.75 63.51 2i96 n ILE 123 Cb 0.49 0.33 -0.13 0.00 -0.71 0.00 0.00 39.64 39.62 2i96 n ILE 123 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2i96 n ASP 124 N -1.58 6.13 -1.19 4.38 2.03 -1.26 -4.90 116.55 120.16 2i96 n ASP 124 Ca 0.05 -2.54 0.16 0.00 0.52 0.00 0.00 54.79 52.98 2i96 n ASP 124 Cb 0.35 -1.44 -0.05 0.00 -0.72 0.00 0.00 41.12 39.26 2i96 n ASP 124 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2i96 n SER 125 N 2.67 -7.14 0.04 1.67 7.64 -1.26 -4.55 113.62 112.69 2i96 n SER 125 Ca 0.52 0.72 -0.13 0.00 1.01 0.00 0.00 58.87 60.99 2i96 n SER 125 Cb 0.74 -3.77 -0.09 0.00 -1.01 0.00 0.00 64.21 60.08 2i96 n SER 125 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2i96 h SER 126 N -1.13 -0.11 -5.08 6.43 4.64 -1.90 -3.44 113.55 112.95 2i96 h SER 126 Ca -0.04 -0.37 0.18 0.00 -0.47 0.00 0.00 61.79 61.10 2i96 h SER 126 Cb 1.11 0.03 -0.12 0.00 -0.31 0.00 0.00 62.40 63.11 2i96 h SER 126 CO 0.03 0.33 0.56 -0.94 -0.87 0.00 0.00 176.83 175.94 2i96 s SER 127 N -5.49 -0.22 0.00 4.97 1.04 -1.26 -5.02 113.70 107.72 2i96 s SER 127 Ca -0.15 -0.21 0.26 0.00 0.48 0.00 0.00 55.95 56.34 2i96 s SER 127 Cb 0.02 0.39 0.67 0.00 0.10 0.00 0.00 66.02 67.19 2i96 s SER 127 CO 0.61 -0.68 1.53 -0.24 0.98 0.00 0.00 173.24 175.44