#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 0.97 0.00 3.04 0.00 -1.26 -4.92 121.76 119.59 2i96 s ALA 22 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2i96 s ALA 22 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2i96 s ALA 22 CO 0.00 -2.01 0.00 -0.85 0.00 0.00 0.00 175.76 172.90 2i96 n GLU 23 N 2.98 2.86 -0.33 0.00 -0.00 -1.26 -4.84 120.64 120.04 2i96 n GLU 23 Ca 0.27 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.49 2i96 n GLU 23 Cb 0.48 -0.87 0.22 0.00 -0.00 0.00 0.00 31.44 31.27 2i96 n GLU 23 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2i96 h GLN 24 N 0.00 0.84 -0.12 3.44 4.15 -2.02 -3.32 115.11 118.07 2i96 h GLN 24 Ca 0.00 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.39 2i96 h GLN 24 Cb 0.73 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 2i96 h GLN 24 CO 0.00 0.56 -0.36 1.03 -1.93 0.00 0.00 178.83 178.12 2i96 h SER 25 N 0.87 -1.16 0.00 -0.69 0.87 -2.00 -3.44 113.55 107.99 2i96 h SER 25 Ca 0.47 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 2i96 h SER 25 Cb 0.50 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2i96 h SER 25 CO -0.28 -0.31 0.00 -0.67 -0.53 0.00 0.00 176.83 175.04 2i96 n ASP 26 N -4.47 0.00 0.00 6.23 2.03 -1.25 -5.19 116.55 113.91 2i96 n ASP 26 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2i96 n ASP 26 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2i96 n ASP 26 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2i96 n GLU 27 N -0.80 -0.47 -3.11 -0.67 2.13 -1.26 -5.09 120.64 111.36 2i96 n GLU 27 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2i96 n GLU 27 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i96 n ALA 28 N -0.66 0.00 -2.66 4.31 0.00 -1.26 -5.11 120.51 115.13 2i96 n ALA 28 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2i96 n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2i96 n ALA 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i96 s VAL 29 N -2.83 4.73 -0.25 0.00 1.01 -1.26 -4.98 120.40 116.83 2i96 s VAL 29 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 2i96 s VAL 29 Cb 0.00 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2i96 s VAL 29 CO 0.00 0.05 1.84 -0.54 0.00 0.00 0.00 175.10 176.45 2i96 s LYS 30 N 1.69 3.50 0.08 2.72 1.02 -1.26 -4.86 119.74 122.63 2i96 s LYS 30 Ca 0.51 1.71 0.02 0.00 0.02 0.00 0.00 55.97 58.22 2i96 s LYS 30 Cb -0.20 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.89 2i96 s LYS 30 CO 0.22 -1.67 0.16 0.71 -0.92 0.00 0.00 175.35 173.85 2i96 s TYR 31 N 6.47 3.37 0.10 3.18 2.02 -1.26 -1.53 117.35 129.70 2i96 s TYR 31 Ca 0.82 0.16 0.04 0.00 -0.37 0.00 0.00 57.07 57.72 2i96 s TYR 31 Cb -0.27 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2i96 s TYR 31 CO 0.33 0.55 -0.11 0.71 -1.57 0.00 0.00 175.55 175.46 2i96 s TYR 32 N -1.50 1.17 0.49 2.71 1.51 -0.21 -4.73 117.35 116.79 2i96 s TYR 32 Ca 0.33 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 2i96 s TYR 32 Cb -0.12 -0.63 -0.08 0.00 -0.11 0.00 0.00 41.96 41.02 2i96 s TYR 32 CO 0.26 0.05 0.95 0.95 -1.11 0.00 0.00 175.55 176.64 2i96 s THR 33 N -2.33 4.57 0.24 -0.71 -4.23 -1.26 0.28 115.64 112.21 2i96 s THR 33 Ca 0.06 1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.65 2i96 s THR 33 Cb -0.04 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.30 2i96 s THR 33 CO 0.01 -0.65 1.85 0.25 -0.54 0.00 0.00 174.62 175.53 2i96 h LEU 34 N 1.00 0.82 -0.57 4.79 5.85 -1.93 -3.09 115.31 122.18 2i96 h LEU 34 Ca -0.47 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.28 2i96 h LEU 34 Cb 1.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2i96 h LEU 34 CO 0.62 0.51 0.38 -0.08 -0.34 0.00 0.00 178.44 179.53 2i96 h GLU 35 N 0.95 0.75 0.00 1.25 4.81 -1.94 -2.79 114.58 117.61 2i96 h GLU 35 Ca 0.38 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2i96 h GLU 35 Cb 0.20 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2i96 h GLU 35 CO -0.18 0.50 -0.06 1.05 -0.73 0.00 0.00 179.01 179.58 2i96 h GLU 36 N 0.77 0.00 0.00 1.92 4.11 -1.93 -2.59 114.58 116.86 2i96 h GLU 36 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 2i96 h GLU 36 Cb -0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2i96 h GLU 36 CO -0.04 0.06 -0.08 0.82 0.07 0.00 0.00 179.01 179.84 2i96 h ILE 37 N 0.00 0.16 0.00 -1.06 2.04 -1.52 -1.01 117.51 116.12 2i96 h ILE 37 Ca -0.00 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2i96 h ILE 37 Cb 0.83 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2i96 h ILE 37 CO 0.01 0.08 -0.02 1.56 0.00 0.00 0.00 178.15 179.78 2i96 h GLN 38 N 0.00 0.00 -0.01 2.37 1.08 -1.11 -2.31 115.11 115.13 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 0.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2i96 h GLN 38 CO 0.01 0.02 -0.14 1.17 -0.95 0.00 0.00 178.83 178.94 2i96 n LYS 39 N -3.13 1.25 -1.71 1.46 3.00 -0.40 -3.95 118.16 114.68 2i96 n LYS 39 Ca 0.00 -0.74 -0.15 0.00 -0.00 0.00 0.00 58.31 57.42 2i96 n LYS 39 Cb 0.30 -1.48 0.07 0.00 0.00 0.00 0.00 35.03 33.91 2i96 n LYS 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2i96 n HIS 40 N -0.23 1.92 -1.20 5.64 8.25 -0.87 -4.75 115.22 123.98 2i96 n HIS 40 Ca 0.15 -2.00 0.05 0.00 -0.26 0.00 0.00 57.72 55.66 2i96 n HIS 40 Cb 0.36 -0.31 0.21 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.78 2.91 -1.45 0.41 6.94 -1.18 0.05 115.26 122.17 2i96 n ASN 41 Ca 0.35 -3.34 -0.03 0.00 -0.02 0.00 0.00 54.58 51.53 2i96 n ASN 41 Cb 0.90 -0.54 -0.01 0.00 -2.36 0.00 0.00 39.78 37.76 2i96 n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2i96 n HIS 42 N -0.97 -0.10 -0.13 -2.53 1.44 -0.36 -4.85 115.22 107.73 2i96 n HIS 42 Ca 0.23 -0.44 -0.04 0.00 -2.01 0.00 0.00 57.72 55.46 2i96 n HIS 42 Cb 0.86 0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.97 2i96 n HIS 42 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2i96 h SER 43 N 0.31 -0.77 0.16 4.39 0.87 -1.99 -1.93 113.55 114.60 2i96 h SER 43 Ca -0.04 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2i96 h SER 43 Cb 0.19 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2i96 h SER 43 CO 0.06 -0.10 0.00 0.50 -0.53 0.00 0.00 176.83 176.76 2i96 h LYS 44 N -0.03 0.00 -1.56 2.24 1.63 -1.98 -3.41 116.57 113.46 2i96 h LYS 44 Ca 0.05 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.96 2i96 h LYS 44 Cb 0.17 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 31.55 2i96 h LYS 44 CO -0.32 0.00 0.20 0.45 -3.45 0.00 0.00 179.45 176.34 2i96 s SER 45 N -5.08 -0.70 -0.29 4.20 0.15 -0.73 -5.04 113.70 106.22 2i96 s SER 45 Ca -0.04 1.05 0.03 0.00 0.70 0.00 0.00 55.95 57.70 2i96 s SER 45 Cb 0.12 1.50 0.07 0.00 -1.71 0.00 0.00 66.02 66.00 2i96 s SER 45 CO 0.40 -0.16 -0.05 -0.89 1.20 0.00 0.00 173.24 173.74 2i96 s THR 46 N 1.89 2.21 0.40 6.45 2.01 -1.23 -1.23 115.64 126.14 2i96 s THR 46 Ca -0.07 -1.89 0.08 0.00 0.31 0.00 0.00 61.69 60.11 2i96 s THR 46 Cb -0.06 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2i96 s THR 46 CO -0.17 -0.23 0.30 0.26 -0.69 0.00 0.00 174.62 174.09 2i96 s TRP 47 N 1.03 2.71 0.31 4.92 0.52 0.11 -1.88 118.94 126.67 2i96 s TRP 47 Ca -0.02 -0.47 -0.13 0.00 0.02 0.00 0.00 56.10 55.50 2i96 s TRP 47 Cb -0.20 -2.02 0.02 0.00 -1.15 0.00 0.00 33.47 30.12 2i96 s TRP 47 CO -0.06 0.04 0.60 -0.48 0.02 0.00 0.00 176.95 177.07 2i96 s LEU 48 N -4.03 0.30 -0.03 2.99 2.34 -0.90 -2.15 118.68 117.19 2i96 s LEU 48 Ca 0.44 -1.06 0.03 0.00 0.06 0.00 0.00 54.13 53.60 2i96 s LEU 48 Cb -0.02 2.16 0.00 0.00 -0.56 0.00 0.00 46.19 47.77 2i96 s LEU 48 CO 0.26 -1.36 -0.11 -0.63 -1.06 0.00 0.00 176.35 173.45 2i96 s ILE 49 N -3.31 0.93 -0.40 1.48 1.01 0.98 -0.08 121.20 121.82 2i96 s ILE 49 Ca 0.20 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2i96 s ILE 49 Cb -0.03 -0.82 0.12 0.00 0.01 0.00 0.00 42.46 41.75 2i96 s ILE 49 CO 0.12 0.28 0.18 -0.76 0.00 0.00 0.00 174.94 174.76 2i96 s LEU 50 N 0.13 2.96 -0.60 2.97 1.43 -0.10 0.06 118.68 125.53 2i96 s LEU 50 Ca -0.03 -2.33 -0.01 0.00 -1.03 0.00 0.00 54.13 50.73 2i96 s LEU 50 Cb -0.09 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 2i96 s LEU 50 CO 0.01 -0.32 0.55 1.41 0.23 0.00 0.00 176.35 178.23 2i96 n HIS 51 N 3.95 -2.07 0.00 0.29 8.25 -1.26 -3.21 115.22 121.17 2i96 n HIS 51 Ca 0.05 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 2i96 n HIS 51 Cb 0.37 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.00 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 -1.87 0.00 -1.93 4.41 8.25 -1.26 -4.92 115.22 117.89 2i96 n HIS 52 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2i96 n HIS 52 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 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 4.12 0.06 -0.41 -0.14 -1.20 -3.53 119.74 118.64 2i96 s LYS 53 Ca 0.00 2.24 -0.23 0.00 -1.36 0.00 0.00 55.97 56.62 2i96 s LYS 53 Cb 0.00 -4.04 -0.06 0.00 -1.68 0.00 0.00 37.83 32.05 2i96 s LYS 53 CO 0.00 -0.93 0.70 0.54 -0.76 0.00 0.00 175.35 174.90 2i96 s VAL 54 N 4.31 4.71 0.20 3.17 0.11 -0.33 -0.93 120.40 131.64 2i96 s VAL 54 Ca 0.77 1.50 0.11 0.00 -2.93 0.00 0.00 61.98 61.42 2i96 s VAL 54 Cb -0.35 -4.05 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 2i96 s VAL 54 CO 0.32 0.43 -0.18 -0.31 -3.33 0.00 0.00 175.10 172.03 2i96 s TYR 55 N -0.42 2.43 -0.11 1.54 1.51 0.89 -2.09 117.35 121.10 2i96 s TYR 55 Ca 0.35 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 2i96 s TYR 55 Cb -0.20 -1.18 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 2i96 s TYR 55 CO 0.22 0.53 -0.21 0.34 -1.11 0.00 0.00 175.55 175.31 2i96 s ASP 56 N -2.82 3.36 -0.08 2.29 -1.08 -1.04 -2.12 116.67 115.18 2i96 s ASP 56 Ca 0.23 -0.49 -0.09 0.00 -0.52 0.00 0.00 52.55 51.68 2i96 s ASP 56 Cb -0.08 -1.43 -0.03 0.00 -1.46 0.00 0.00 42.92 39.92 2i96 s ASP 56 CO 0.12 0.17 -0.18 0.18 0.52 0.00 0.00 175.17 175.98 2i96 n LEU 57 N 3.48 1.21 0.00 -1.34 4.77 -0.79 -4.89 117.00 119.44 2i96 n LEU 57 Ca -0.19 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2i96 n LEU 57 Cb 0.53 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2i96 n LEU 57 CO 0.29 -0.43 0.00 0.35 -1.33 0.00 0.00 177.39 176.27 2i96 n THR 58 N -3.70 0.00 -0.04 -5.08 -2.24 -1.22 0.21 114.28 102.21 2i96 n THR 58 Ca -0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 2i96 n THR 58 Cb 0.27 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.77 2i96 n THR 58 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2i96 h LYS 59 N 0.00 0.63 0.00 -0.78 1.57 -1.95 -3.16 116.57 112.88 2i96 h LYS 59 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2i96 h LYS 59 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2i96 h LYS 59 CO 0.00 0.61 0.00 0.35 -0.57 0.00 0.00 179.45 179.84 2i96 h PHE 60 N 0.61 0.00 -0.69 -1.35 3.57 -0.59 -3.26 116.94 115.23 2i96 h PHE 60 Ca 0.13 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.78 2i96 h PHE 60 Cb 0.30 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2i96 h PHE 60 CO 0.01 0.00 0.47 -0.07 -2.23 0.00 0.00 178.31 176.49 2i96 h LEU 61 N 0.00 0.30 -1.85 0.59 3.38 -1.76 0.58 115.31 116.55 2i96 h LEU 61 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2i96 h LEU 61 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2i96 h LEU 61 CO 0.00 0.16 0.00 -1.84 0.09 0.00 0.00 178.44 176.85 2i96 n GLU 62 N -4.45 2.21 -0.21 1.13 0.28 -1.23 -4.12 120.64 114.25 2i96 n GLU 62 Ca 0.13 -1.83 0.07 0.00 -0.16 0.00 0.00 57.16 55.38 2i96 n GLU 62 Cb 0.53 -1.47 0.11 0.00 1.43 0.00 0.00 31.44 32.04 2i96 n GLU 62 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2i96 n GLU 63 N 1.06 0.98 -3.81 3.44 -0.58 0.19 -4.98 120.64 116.94 2i96 n GLU 63 Ca 0.18 -2.24 -0.27 0.00 -0.42 0.00 0.00 57.16 54.41 2i96 n GLU 63 Cb 0.51 -1.26 -0.17 0.00 -0.57 0.00 0.00 31.44 29.95 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2i96 s HIS 64 N -2.20 1.26 0.42 -0.32 2.46 -1.17 -5.03 115.29 110.71 2i96 s HIS 64 Ca 0.25 -0.82 0.23 0.00 0.47 0.00 0.00 55.06 55.19 2i96 s HIS 64 Cb 0.22 -1.11 1.23 0.00 -0.13 0.00 0.00 32.58 32.79 2i96 s HIS 64 CO 0.02 -0.55 1.73 -1.00 -2.47 0.00 0.00 174.74 172.46 2i96 h PRO 65 N 8.20 0.27 -0.11 2.88 0.13 -1.93 -2.76 132.00 138.68 2i96 h PRO 65 Ca -0.20 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.94 2i96 h PRO 65 Cb 1.12 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2i96 h PRO 65 CO 0.35 0.18 0.21 0.78 -0.23 0.00 0.00 178.00 179.28 2i96 h GLY 66 N 0.28 0.00 0.00 1.56 0.00 -1.96 -3.47 103.07 99.48 2i96 h GLY 66 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2i96 h GLY 66 CO -0.31 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.84 2i96 n GLY 67 N -1.29 0.62 1.13 4.60 0.00 -1.04 -4.77 105.19 104.43 2i96 n GLY 67 Ca -0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 0.00 -0.24 1.61 0.00 -1.26 -4.73 120.64 116.03 2i96 n GLU 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 2i96 n GLU 68 Cb 0.00 -0.15 0.16 0.00 0.00 0.00 0.00 31.44 31.45 2i96 n GLU 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2i96 h GLU 69 N 0.00 0.33 0.00 5.31 5.08 -1.98 -1.58 114.58 121.74 2i96 h GLU 69 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2i96 h GLU 69 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2i96 h GLU 69 CO 0.00 0.22 -0.22 1.33 -1.00 0.00 0.00 179.01 179.34 2i96 n VAL 70 N -5.09 0.05 0.02 3.13 0.24 -1.26 -1.55 118.33 113.88 2i96 n VAL 70 Ca 0.13 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.28 2i96 n VAL 70 Cb 0.40 -0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.47 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 -0.11 -1.71 1.34 3.38 -1.59 -3.34 115.31 113.28 2i96 h LEU 71 Ca 0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2i96 h LEU 71 Cb 0.53 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2i96 h LEU 71 CO 0.00 0.50 -0.08 0.03 0.09 0.00 0.00 178.44 178.98 2i96 h ARG 72 N -0.81 0.09 0.00 1.13 3.08 -1.27 -0.68 114.38 115.91 2i96 h ARG 72 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2i96 h ARG 72 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2i96 h ARG 72 CO 0.02 0.17 0.00 1.49 -1.07 0.00 0.00 179.97 180.58 2i96 h GLU 73 N 0.09 0.00 -0.00 0.04 4.57 -1.40 -0.69 114.58 117.18 2i96 h GLU 73 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2i96 h GLU 73 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2i96 h GLU 73 CO 0.01 0.00 -0.01 1.04 -1.18 0.00 0.00 179.01 178.87 2i96 n GLN 74 N -2.76 0.18 -3.84 1.92 1.13 -0.32 -5.06 117.38 108.63 2i96 n GLN 74 Ca -0.02 -0.60 -0.25 0.00 -1.94 0.00 0.00 57.00 54.19 2i96 n GLN 74 Cb 0.08 -1.01 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 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 -0.36 3.91 0.00 -1.58 0.00 -0.27 -4.20 121.76 119.26 2i96 s ALA 75 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2i96 s ALA 75 Cb 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2i96 s ALA 75 CO 0.04 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2i96 n GLY 76 N -0.81 1.48 0.00 0.00 0.00 -0.92 -4.86 105.19 100.08 2i96 n GLY 76 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.63 3.20 3.73 -0.02 0.00 -1.26 -2.42 105.19 107.79 2i96 n GLY 77 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 2.00 6.97 -0.13 1.61 -1.08 -1.26 -0.01 116.67 124.77 2i96 s ASP 78 Ca 0.00 2.25 0.18 0.00 -0.52 0.00 0.00 52.55 54.46 2i96 s ASP 78 Cb 0.00 -2.60 0.28 0.00 -1.46 0.00 0.00 42.92 39.15 2i96 s ASP 78 CO 0.00 -0.50 1.15 0.00 0.52 0.00 0.00 175.17 176.34 2i96 n ALA 79 N 3.18 2.33 0.87 3.66 0.00 0.11 -4.76 120.51 125.90 2i96 n ALA 79 Ca 0.07 -2.59 0.08 0.00 0.00 0.00 0.00 53.44 51.01 2i96 n ALA 79 Cb 0.44 -0.39 0.44 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.34 0.26 -0.18 0.00 5.66 -1.25 -3.02 114.28 114.42 2i96 n THR 80 Ca 0.15 0.07 -0.03 0.00 -3.05 0.00 0.00 64.05 61.19 2i96 n THR 80 Cb 0.65 -0.81 0.03 0.00 -1.55 0.00 0.00 70.33 68.65 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 -0.07 0.00 1.09 4.57 -1.94 0.19 114.58 118.41 2i96 h GLU 81 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2i96 h GLU 81 Cb 0.07 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2i96 h GLU 81 CO 0.00 -0.05 -0.37 -0.97 -1.18 0.00 0.00 179.01 176.45 2i96 h ASN 82 N -0.08 0.00 1.01 1.04 -0.73 -1.97 -3.06 115.58 111.79 2i96 h ASN 82 Ca 0.25 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.23 2i96 h ASN 82 Cb 0.47 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 2i96 h ASN 82 CO -0.59 0.37 -0.94 0.15 -0.37 0.00 0.00 177.43 176.05 2i96 h PHE 83 N 0.00 0.00 0.00 0.67 3.57 -0.96 0.53 116.94 120.76 2i96 h PHE 83 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2i96 h PHE 83 Cb 0.70 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2i96 h PHE 83 CO 0.00 0.94 -0.36 0.93 -2.23 0.00 0.00 178.31 177.58 2i96 h GLU 84 N 0.00 0.00 0.00 1.11 4.39 -0.73 -2.75 114.58 116.60 2i96 h GLU 84 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2i96 h GLU 84 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2i96 h GLU 84 CO 0.12 0.03 -0.42 -3.47 -1.16 0.00 0.00 179.01 174.11 2i96 n ASP 85 N -2.97 1.15 0.04 1.42 2.03 -1.14 -4.70 116.55 112.38 2i96 n ASP 85 Ca 0.02 0.39 -0.20 0.00 0.52 0.00 0.00 54.79 55.52 2i96 n ASP 85 Cb 0.55 -0.70 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 2i96 n ASP 85 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2i96 h VAL 86 N -0.62 0.86 0.00 5.18 2.07 -1.10 -3.48 116.25 119.16 2i96 h VAL 86 Ca 0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 2i96 h VAL 86 Cb 0.42 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2i96 h VAL 86 CO 0.00 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.04 2i96 n GLY 87 N 1.86 0.87 5.40 2.17 0.00 -1.04 -4.83 105.19 109.62 2i96 n GLY 87 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.17 -2.38 -4.44 1.61 8.25 -1.26 -4.94 115.22 109.88 2i96 n HIS 88 Ca 0.00 0.48 -0.24 0.00 -0.26 0.00 0.00 57.72 57.69 2i96 n HIS 88 Cb 0.00 -0.69 -0.04 0.00 1.12 0.00 0.00 29.99 30.39 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 -3.43 2.95 -4.57 0.41 3.41 -1.26 -5.03 113.62 106.10 2i96 n SER 89 Ca 0.00 -2.67 -0.28 0.00 -0.26 0.00 0.00 58.87 55.67 2i96 n SER 89 Cb 0.17 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 2i96 n SER 89 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2i96 s THR 90 N -2.35 3.50 0.01 6.66 2.01 -1.26 -3.49 115.64 120.71 2i96 s THR 90 Ca 0.04 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.44 2i96 s THR 90 Cb -0.00 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2i96 s THR 90 CO 0.03 -0.99 0.00 -0.67 -0.69 0.00 0.00 174.62 172.30 2i96 n ASP 91 N 14.00 -0.08 0.33 3.53 -0.08 -1.26 -4.94 116.55 128.04 2i96 n ASP 91 Ca 0.42 0.11 0.22 0.00 -1.51 0.00 0.00 54.79 54.03 2i96 n ASP 91 Cb 0.47 0.21 1.14 0.00 2.34 0.00 0.00 41.12 45.27 2i96 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2i96 h ALA 92 N 0.00 1.03 0.00 -1.67 0.00 -1.96 0.53 119.26 117.19 2i96 h ALA 92 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i96 h ALA 92 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2i96 h ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2i96 n ARG 93 N -3.13 0.16 0.00 0.00 1.74 -1.25 -2.60 116.66 111.58 2i96 n ARG 93 Ca -0.03 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2i96 n ARG 93 Cb 0.10 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 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 -2.12 0.00 0.08 5.56 -0.58 0.72 -4.75 120.64 119.56 2i96 n GLU 94 Ca 0.02 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.82 2i96 n GLU 94 Cb 0.22 -0.84 0.51 0.00 -0.57 0.00 0.00 31.44 30.76 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 0.00 0.34 0.00 3.49 4.05 -0.20 -3.08 114.93 119.54 2i96 h MET 95 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2i96 h MET 95 Cb 0.98 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 2i96 h MET 95 CO 0.00 0.23 0.00 0.66 0.23 0.00 0.00 176.91 178.03 2i96 h SER 96 N 0.35 0.00 0.07 1.39 4.64 -1.73 -3.16 113.55 115.11 2i96 h SER 96 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2i96 h SER 96 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2i96 h SER 96 CO -0.02 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.02 2i96 h LYS 97 N 0.00 0.00 -0.01 4.77 1.57 -1.83 0.15 116.57 121.23 2i96 h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i96 h LYS 97 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2i96 h LYS 97 CO 0.00 0.03 -0.10 2.41 -0.57 0.00 0.00 179.45 181.21 2i96 n THR 98 N -3.88 0.00 0.48 -0.16 -1.04 -1.19 -3.32 114.28 105.17 2i96 n THR 98 Ca -0.03 -0.12 0.08 0.00 -2.04 0.00 0.00 64.05 61.95 2i96 n THR 98 Cb 0.11 0.12 -0.11 0.00 -1.82 0.00 0.00 70.33 68.64 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 -0.60 0.00 -2.17 -1.42 3.72 0.51 -4.88 117.46 112.61 2i96 n PHE 99 Ca 0.16 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.19 2i96 n PHE 99 Cb 0.29 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -2.81 3.47 -0.46 4.37 1.01 -1.09 -2.51 121.20 123.19 2i96 s ILE 100 Ca 0.01 0.13 0.26 0.00 0.00 0.00 0.00 60.65 61.05 2i96 s ILE 100 Cb 0.12 -4.20 0.32 0.00 0.01 0.00 0.00 42.46 38.71 2i96 s ILE 100 CO 0.69 -1.16 1.73 0.16 0.00 0.00 0.00 174.94 176.36 2i96 h ILE 101 N 6.75 0.00 0.00 2.92 3.07 -1.76 -3.49 117.51 125.01 2i96 h ILE 101 Ca -0.20 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 65.53 2i96 h ILE 101 Cb 1.11 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 2i96 h ILE 101 CO 1.24 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.95 2i96 n GLY 102 N 0.90 -0.53 0.00 0.16 0.00 -1.22 -4.52 105.19 99.98 2i96 n GLY 102 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 3.10 -3.88 1.61 1.02 -0.59 -1.18 120.64 120.72 2i96 n GLU 103 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 2i96 n GLU 103 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 4.12 1.09 -4.62 1.43 -1.23 -1.05 118.68 118.42 2i96 s LEU 104 Ca 0.00 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 2i96 s LEU 104 Cb 0.00 -2.71 0.23 0.00 0.03 0.00 0.00 46.19 43.74 2i96 s LEU 104 CO 0.00 -0.16 1.09 -1.00 0.23 0.00 0.00 176.35 176.51 2i96 s HIS 105 N -2.07 1.53 0.56 0.29 3.76 0.14 -4.26 115.29 115.24 2i96 s HIS 105 Ca 0.37 0.85 0.25 0.00 -0.15 0.00 0.00 55.06 56.37 2i96 s HIS 105 Cb -0.09 -3.29 0.85 0.00 1.11 0.00 0.00 32.58 31.16 2i96 s HIS 105 CO 0.29 -3.34 1.19 -2.30 -0.85 0.00 0.00 174.74 169.73 2i96 n PRO 106 N -4.47 0.01 0.19 8.40 -0.02 -1.26 -0.06 135.00 137.80 2i96 n PRO 106 Ca 0.07 0.94 0.14 0.00 -2.02 0.00 0.00 63.50 62.63 2i96 n PRO 106 Cb 0.58 -2.33 0.58 0.00 -0.02 0.00 0.00 33.50 32.31 2i96 n PRO 106 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2i96 h ASP 107 N 0.00 0.00 0.00 2.55 2.03 -1.94 -3.28 116.42 115.78 2i96 h ASP 107 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 2i96 h ASP 107 Cb 2.72 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.22 2i96 h ASP 107 CO -0.00 0.00 -0.15 -0.67 -1.03 0.00 0.00 179.24 177.39 2i96 n ASP 108 N -2.55 0.74 -0.07 4.15 2.03 -0.10 -4.64 116.55 116.11 2i96 n ASP 108 Ca 0.01 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.25 2i96 n ASP 108 Cb 0.25 0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.76 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2i96 h ARG 109 N 0.00 -0.20 0.00 -0.67 2.43 -0.53 -1.13 114.38 114.28 2i96 h ARG 109 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2i96 h ARG 109 Cb 0.05 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2i96 h ARG 109 CO 0.00 -0.13 -1.15 -0.35 -1.51 0.00 0.00 179.97 176.83 2i96 n PRO 110 N -5.37 0.23 0.00 0.20 -0.04 -1.26 -4.92 135.00 123.83 2i96 n PRO 110 Ca 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2i96 n PRO 110 Cb 0.29 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.81 0.00 -0.08 0.54 5.02 -0.43 -2.04 118.16 119.36 2i96 n LYS 111 Ca 0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 2i96 n LYS 111 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.36 2i96 n LYS 111 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2i96 n LEU 112 N 0.00 1.99 0.00 -0.35 -0.00 -1.26 -4.84 117.00 112.53 2i96 n LEU 112 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2i96 n LEU 112 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 2i96 n LEU 112 CO 0.00 0.53 0.00 -3.20 -0.00 0.00 0.00 177.39 174.72 2i96 n ASN 113 N -3.40 0.00 -0.65 1.45 5.15 -0.95 -5.15 115.26 111.71 2i96 n ASN 113 Ca -0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2i96 n ASN 113 Cb 0.76 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.01 2i96 n ASN 113 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2i96 n LYS 114 N -0.14 -1.24 -2.96 1.20 4.81 -0.86 -4.86 118.16 114.12 2i96 n LYS 114 Ca 0.00 1.08 -0.40 0.00 -0.87 0.00 0.00 58.31 58.13 2i96 n LYS 114 Cb 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 35.03 34.04 2i96 n LYS 114 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2i96 s PRO 115 N -3.00 4.54 0.00 1.64 0.04 -1.26 -5.08 135.00 131.88 2i96 s PRO 115 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2i96 s PRO 115 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2i96 s PRO 115 CO 0.00 0.37 0.00 -0.35 0.04 0.00 0.00 177.00 177.06 2i96 n PRO 116 N 2.39 1.69 0.00 0.56 -0.04 -1.26 -5.10 135.00 133.24 2i96 n PRO 116 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2i96 n PRO 116 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2i96 n PRO 116 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2i96 n GLU 117 N -0.39 0.00 -2.06 0.54 1.02 -1.26 -5.00 120.64 113.49 2i96 n GLU 117 Ca 0.00 0.24 -0.19 0.00 -0.02 0.00 0.00 57.16 57.19 2i96 n GLU 117 Cb 0.00 -0.79 0.10 0.00 -0.02 0.00 0.00 31.44 30.74 2i96 n GLU 117 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2i96 n THR 118 N -1.21 0.00 0.00 2.62 5.66 -1.26 -5.05 114.28 115.04 2i96 n THR 118 Ca 0.00 -1.17 0.00 0.00 -3.05 0.00 0.00 64.05 59.83 2i96 n THR 118 Cb 0.00 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 2i96 n THR 118 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2i96 n LEU 119 N 0.00 0.14 -4.01 1.09 4.32 -1.26 -4.83 117.00 112.45 2i96 n LEU 119 Ca 0.13 0.75 -0.20 0.00 -0.02 0.00 0.00 56.01 56.68 2i96 n LEU 119 Cb 0.46 -0.32 -0.15 0.00 -1.62 0.00 0.00 43.42 41.80 2i96 n LEU 119 CO 0.32 -0.32 -0.43 -0.63 -1.22 0.00 0.00 177.39 175.10 2i96 s ILE 120 N -2.06 0.75 -0.44 -0.08 -1.09 -1.26 -5.04 121.20 111.97 2i96 s ILE 120 Ca 0.00 -0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 2i96 s ILE 120 Cb 0.00 -0.65 0.29 0.00 -1.58 0.00 0.00 42.46 40.52 2i96 s ILE 120 CO 0.00 0.23 1.18 0.35 -1.23 0.00 0.00 174.94 175.46 2i96 n THR 121 N 3.12 1.48 -3.68 2.92 -2.24 -1.26 -4.70 114.28 109.92 2i96 n THR 121 Ca -0.16 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 2i96 n THR 121 Cb 0.55 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 68.07 2i96 n THR 121 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2i96 s THR 122 N -1.50 -0.34 0.28 4.28 -4.23 -1.26 -5.09 115.64 107.77 2i96 s THR 122 Ca 0.22 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2i96 s THR 122 Cb 0.18 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.44 2i96 s THR 122 CO 0.05 0.07 0.00 2.30 -0.54 0.00 0.00 174.62 176.50 2i96 n ILE 123 N 4.90 -6.16 0.42 2.99 -5.35 -1.26 -4.76 119.36 110.14 2i96 n ILE 123 Ca -0.15 2.32 0.09 0.00 -0.27 0.00 0.00 62.75 64.74 2i96 n ILE 123 Cb 0.52 -3.21 0.40 0.00 -1.74 0.00 0.00 39.64 35.61 2i96 n ILE 123 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2i96 n ASP 124 N 0.86 0.36 0.00 7.28 9.92 -1.26 -4.89 116.55 128.82 2i96 n ASP 124 Ca 0.00 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 2i96 n ASP 124 Cb 0.00 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 2i96 n ASP 124 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2i96 n SER 125 N -1.90 0.00 0.06 -2.24 2.88 -1.26 -3.89 113.62 107.27 2i96 n SER 125 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2i96 n SER 125 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2i96 n SER 125 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2i96 n SER 126 N 3.99 0.62 -4.56 -3.46 3.41 -1.26 -4.93 113.62 107.43 2i96 n SER 126 Ca 0.00 0.20 -0.32 0.00 -0.26 0.00 0.00 58.87 58.49 2i96 n SER 126 Cb 0.00 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 2i96 n SER 126 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2i96 s SER 127 N -5.55 5.53 0.00 4.04 0.15 -1.25 -5.32 113.70 111.30 2i96 s SER 127 Ca 0.00 -0.79 0.10 0.00 0.70 0.00 0.00 55.95 55.96 2i96 s SER 127 Cb 0.00 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 2i96 s SER 127 CO 0.00 -2.38 0.82 -1.54 1.20 0.00 0.00 173.24 171.35