#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 1.38 -2.72 -5.12 0.00 -1.26 -5.15 120.51 107.64 2i96 n ALA 22 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2i96 n ALA 22 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2i96 n ALA 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2i96 n GLU 23 N -3.32 0.25 0.00 0.00 0.28 -1.26 -5.09 120.64 111.50 2i96 n GLU 23 Ca 0.00 -2.34 0.00 0.00 -0.16 0.00 0.00 57.16 54.66 2i96 n GLU 23 Cb 0.00 -0.42 0.00 0.00 1.43 0.00 0.00 31.44 32.45 2i96 n GLU 23 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2i96 n GLN 24 N -2.34 0.00 0.00 3.44 -0.06 -1.26 -4.93 117.38 112.23 2i96 n GLN 24 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 2i96 n GLN 24 Cb 0.49 -0.25 0.00 0.00 -4.06 0.00 0.00 30.24 26.42 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2i96 n SER 25 N -2.44 0.31 0.32 1.69 7.64 -1.26 -4.63 113.62 115.25 2i96 n SER 25 Ca 0.00 -1.11 -0.17 0.00 1.01 0.00 0.00 58.87 58.61 2i96 n SER 25 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2i96 n SER 25 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2i96 h ASP 26 N 0.00 -0.67 0.00 6.43 5.19 -2.01 -3.32 116.42 122.04 2i96 h ASP 26 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2i96 h ASP 26 Cb 0.67 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2i96 h ASP 26 CO 0.00 -0.43 -0.60 1.21 -3.12 0.00 0.00 179.24 176.30 2i96 n GLU 27 N -5.40 3.41 -3.43 3.56 4.07 -1.26 -5.04 120.64 116.54 2i96 n GLU 27 Ca -0.13 -0.02 -0.38 0.00 -0.06 0.00 0.00 57.16 56.58 2i96 n GLU 27 Cb 0.34 -0.86 -0.08 0.00 -0.06 0.00 0.00 31.44 30.78 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i96 s ALA 28 N -1.76 3.57 0.09 4.31 0.00 -1.25 -5.05 121.76 121.67 2i96 s ALA 28 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 2i96 s ALA 28 Cb 0.03 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 2i96 s ALA 28 CO 0.17 -0.31 1.23 0.08 0.00 0.00 0.00 175.76 176.93 2i96 s VAL 29 N 1.32 3.82 0.14 0.00 1.01 -1.26 -4.30 120.40 121.13 2i96 s VAL 29 Ca 0.17 1.35 -0.31 0.00 0.00 0.00 0.00 61.98 63.19 2i96 s VAL 29 Cb -0.15 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 2i96 s VAL 29 CO 0.07 0.13 1.66 -0.54 0.00 0.00 0.00 175.10 176.42 2i96 s LYS 30 N 0.81 4.18 0.00 2.72 1.02 -1.26 -4.98 119.74 122.23 2i96 s LYS 30 Ca 0.58 2.43 0.08 0.00 0.02 0.00 0.00 55.97 59.08 2i96 s LYS 30 Cb -0.31 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 2i96 s LYS 30 CO 0.31 -0.70 -0.23 0.71 -0.92 0.00 0.00 175.35 174.51 2i96 s TYR 31 N 1.82 2.42 0.41 3.18 2.02 -1.26 -2.91 117.35 123.03 2i96 s TYR 31 Ca 0.74 -0.36 0.08 0.00 -0.37 0.00 0.00 57.07 57.15 2i96 s TYR 31 Cb -0.44 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2i96 s TYR 31 CO 0.32 0.08 0.55 0.71 -1.57 0.00 0.00 175.55 175.64 2i96 s TYR 32 N -0.73 2.82 -0.04 2.71 1.51 -0.06 -4.74 117.35 118.83 2i96 s TYR 32 Ca 0.11 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 2i96 s TYR 32 Cb -0.10 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.36 2i96 s TYR 32 CO 0.01 -0.37 0.41 0.95 -1.11 0.00 0.00 175.55 175.44 2i96 s THR 33 N -2.35 5.08 0.45 -0.71 -4.23 -1.26 0.74 115.64 113.36 2i96 s THR 33 Ca 0.54 0.83 0.30 0.00 -1.18 0.00 0.00 61.69 62.17 2i96 s THR 33 Cb -0.09 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.35 2i96 s THR 33 CO 0.32 0.52 2.12 0.25 -0.54 0.00 0.00 174.62 177.30 2i96 h LEU 34 N 5.24 0.00 -1.13 4.79 5.85 -1.97 -1.44 115.31 126.64 2i96 h LEU 34 Ca -0.49 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 2i96 h LEU 34 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2i96 h LEU 34 CO 0.65 0.08 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.31 2i96 h GLU 35 N 0.00 0.37 0.01 1.25 3.07 -1.98 -2.81 114.58 114.50 2i96 h GLU 35 Ca -0.00 -0.12 -0.31 0.00 -0.50 0.00 0.00 59.36 58.44 2i96 h GLU 35 Cb 0.26 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.09 2i96 h GLU 35 CO 0.01 0.56 -1.80 -0.85 -1.40 0.00 0.00 179.01 175.53 2i96 n GLU 36 N -4.18 0.65 0.16 2.33 0.28 -0.57 -4.04 120.64 115.27 2i96 n GLU 36 Ca -0.00 0.27 0.04 0.00 -0.16 0.00 0.00 57.16 57.31 2i96 n GLU 36 Cb 0.35 -1.76 0.11 0.00 1.43 0.00 0.00 31.44 31.56 2i96 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2i96 h ILE 37 N 0.01 0.80 -0.73 3.84 2.04 -1.51 -3.01 117.51 118.96 2i96 h ILE 37 Ca -0.32 -1.99 -0.02 0.00 1.00 0.00 0.00 64.86 63.53 2i96 h ILE 37 Cb 2.03 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 40.37 2i96 h ILE 37 CO 0.08 0.43 0.39 1.56 0.00 0.00 0.00 178.15 180.60 2i96 h GLN 38 N 0.00 1.03 -0.40 2.37 1.08 -1.54 -2.22 115.11 115.43 2i96 h GLN 38 Ca -0.00 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2i96 h GLN 38 Cb 1.26 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2i96 h GLN 38 CO 0.06 0.78 0.00 0.36 -0.95 0.00 0.00 178.83 179.07 2i96 n LYS 39 N -4.45 1.55 -1.95 1.46 2.85 -1.14 -3.23 118.16 113.23 2i96 n LYS 39 Ca 0.06 -0.64 -0.24 0.00 -1.05 0.00 0.00 58.31 56.44 2i96 n LYS 39 Cb 0.10 -1.30 0.03 0.00 -0.65 0.00 0.00 35.03 33.21 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 0.04 2.75 0.41 5.58 8.25 -0.83 -4.70 115.22 126.71 2i96 n HIS 40 Ca 0.06 -2.27 0.09 0.00 -0.26 0.00 0.00 57.72 55.34 2i96 n HIS 40 Cb 0.24 -0.42 0.13 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.73 2.84 -1.22 0.41 0.23 -1.12 0.00 115.26 115.68 2i96 n ASN 41 Ca 0.45 -1.84 -0.01 0.00 -0.53 0.00 0.00 54.58 52.65 2i96 n ASN 41 Cb 0.95 -0.13 -0.01 0.00 -2.08 0.00 0.00 39.78 38.51 2i96 n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i96 n HIS 42 N 1.06 -0.05 -0.38 -2.53 1.44 -0.35 -4.73 115.22 109.69 2i96 n HIS 42 Ca 0.13 -0.20 -0.00 0.00 -2.01 0.00 0.00 57.72 55.64 2i96 n HIS 42 Cb 0.48 0.02 0.05 0.00 0.12 0.00 0.00 29.99 30.66 2i96 n HIS 42 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2i96 h SER 43 N 0.14 -1.38 0.61 4.39 0.02 -1.97 0.31 113.55 115.68 2i96 h SER 43 Ca -0.02 0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2i96 h SER 43 Cb 0.08 0.74 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2i96 h SER 43 CO 0.03 -0.29 0.00 0.29 -1.14 0.00 0.00 176.83 175.71 2i96 n LYS 44 N -5.49 0.02 0.00 3.45 5.02 -1.26 -4.76 118.16 115.14 2i96 n LYS 44 Ca 0.11 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2i96 n LYS 44 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2i96 n LYS 44 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2i96 n SER 45 N -1.48 0.00 -3.86 4.39 2.88 0.10 -5.11 113.62 110.54 2i96 n SER 45 Ca 0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 2i96 n SER 45 Cb 0.21 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.51 2i96 n SER 45 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2i96 s THR 46 N -0.43 1.16 0.48 2.46 2.01 -1.23 -1.21 115.64 118.88 2i96 s THR 46 Ca 0.00 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.96 2i96 s THR 46 Cb 0.00 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.97 2i96 s THR 46 CO 0.00 -0.20 0.12 0.79 -0.69 0.00 0.00 174.62 174.64 2i96 n TRP 47 N 4.80 0.51 -3.98 4.92 8.01 0.10 -2.53 117.44 129.27 2i96 n TRP 47 Ca -0.10 -2.23 -0.11 0.00 -1.31 0.00 0.00 57.50 53.75 2i96 n TRP 47 Cb 0.45 -0.34 -0.02 0.00 -2.01 0.00 0.00 31.31 29.38 2i96 n TRP 47 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 2i96 s LEU 48 N 0.00 0.51 -0.05 -0.99 2.34 -0.79 -0.99 118.68 118.71 2i96 s LEU 48 Ca 0.09 -1.22 0.01 0.00 0.06 0.00 0.00 54.13 53.07 2i96 s LEU 48 Cb -0.01 2.00 0.02 0.00 -0.56 0.00 0.00 46.19 47.64 2i96 s LEU 48 CO 0.06 -1.38 -0.04 -0.63 -1.06 0.00 0.00 176.35 173.30 2i96 s ILE 49 N -3.09 0.52 -0.30 1.48 1.01 -0.23 -1.22 121.20 119.38 2i96 s ILE 49 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.81 2i96 s ILE 49 Cb -0.02 -0.56 0.08 0.00 0.01 0.00 0.00 42.46 41.97 2i96 s ILE 49 CO 0.15 0.23 -0.00 -0.76 0.00 0.00 0.00 174.94 174.55 2i96 s LEU 50 N 1.03 3.70 0.00 2.97 1.43 -0.71 -1.50 118.68 125.60 2i96 s LEU 50 Ca -0.09 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 2i96 s LEU 50 Cb -0.14 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.66 2i96 s LEU 50 CO -0.01 -0.31 0.00 1.41 0.23 0.00 0.00 176.35 177.67 2i96 n HIS 51 N 4.45 0.00 0.00 0.29 8.25 -1.26 -2.48 115.22 124.47 2i96 n HIS 51 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2i96 n HIS 51 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 0.00 0.00 -3.30 4.41 8.25 -1.26 -5.08 115.22 118.25 2i96 n HIS 52 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 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 -1.00 4.31 0.09 -0.41 1.02 -1.03 -3.06 119.74 119.65 2i96 s LYS 53 Ca 0.00 0.51 -0.28 0.00 0.02 0.00 0.00 55.97 56.23 2i96 s LYS 53 Cb 0.00 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 2i96 s LYS 53 CO 0.00 0.22 0.87 0.54 -0.92 0.00 0.00 175.35 176.07 2i96 s VAL 54 N 0.40 4.59 0.01 3.17 0.11 0.63 -1.75 120.40 127.56 2i96 s VAL 54 Ca 0.27 1.88 0.07 0.00 -2.93 0.00 0.00 61.98 61.28 2i96 s VAL 54 Cb -0.16 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.43 2i96 s VAL 54 CO 0.12 0.34 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.70 2i96 s TYR 55 N -0.07 2.44 -0.16 1.54 1.51 -0.36 -1.38 117.35 120.87 2i96 s TYR 55 Ca 0.43 -0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 56.06 2i96 s TYR 55 Cb -0.22 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.11 2i96 s TYR 55 CO 0.27 0.12 0.13 0.34 -1.11 0.00 0.00 175.55 175.30 2i96 s ASP 56 N -1.03 6.30 -0.04 2.29 -1.08 -0.65 -1.88 116.67 120.58 2i96 s ASP 56 Ca 0.12 0.35 -0.06 0.00 -0.52 0.00 0.00 52.55 52.43 2i96 s ASP 56 Cb -0.10 -2.08 -0.02 0.00 -1.46 0.00 0.00 42.92 39.26 2i96 s ASP 56 CO 0.02 0.29 -0.12 0.18 0.52 0.00 0.00 175.17 176.06 2i96 n LEU 57 N 2.76 0.97 0.00 -1.34 4.77 -1.05 -4.80 117.00 118.31 2i96 n LEU 57 Ca -0.18 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2i96 n LEU 57 Cb 0.53 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2i96 n LEU 57 CO 0.34 -0.48 0.00 0.41 -1.33 0.00 0.00 177.39 176.33 2i96 n THR 58 N -3.45 0.00 0.09 -5.08 -1.04 -1.22 -0.41 114.28 103.17 2i96 n THR 58 Ca -0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 2i96 n THR 58 Cb 0.19 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.14 0.00 -2.82 1.57 -1.95 -3.33 116.57 110.19 2i96 h LYS 59 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2i96 h LYS 59 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2i96 h LYS 59 CO 0.00 0.85 0.00 0.34 -0.57 0.00 0.00 179.45 180.07 2i96 n PHE 60 N -3.70 0.00 -0.12 -1.35 7.35 0.45 -3.61 117.46 116.47 2i96 n PHE 60 Ca -0.02 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.87 2i96 n PHE 60 Cb 0.74 -0.47 0.61 0.00 0.35 0.00 0.00 39.48 40.71 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 0.18 0.00 -2.13 3.38 -1.79 -2.17 115.31 112.78 2i96 h LEU 61 Ca 0.00 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2i96 h LEU 61 Cb 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2i96 h LEU 61 CO 0.00 0.08 -2.04 -1.84 0.09 0.00 0.00 178.44 174.73 2i96 n GLU 62 N -4.41 0.70 0.14 1.13 0.28 -1.24 -2.15 120.64 115.11 2i96 n GLU 62 Ca 0.14 -0.14 0.08 0.00 -0.16 0.00 0.00 57.16 57.09 2i96 n GLU 62 Cb 0.67 -1.49 0.06 0.00 1.43 0.00 0.00 31.44 32.11 2i96 n GLU 62 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2i96 h GLU 63 N 0.00 0.00 -6.79 3.44 4.39 -1.63 -3.46 114.58 110.53 2i96 h GLU 63 Ca -0.15 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.07 2i96 h GLU 63 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2i96 h GLU 63 CO 0.01 0.16 0.37 -1.58 -1.16 0.00 0.00 179.01 176.80 2i96 s HIS 64 N -3.15 3.85 0.24 4.33 2.46 -1.13 -4.97 115.29 116.92 2i96 s HIS 64 Ca 0.03 1.86 -0.13 0.00 0.47 0.00 0.00 55.06 57.28 2i96 s HIS 64 Cb 0.07 -3.01 0.30 0.00 -0.13 0.00 0.00 32.58 29.82 2i96 s HIS 64 CO 0.74 0.25 1.58 -1.35 -2.47 0.00 0.00 174.74 173.49 2i96 h PRO 65 N 3.85 -0.03 -5.73 2.88 0.11 -1.94 -3.29 132.00 127.85 2i96 h PRO 65 Ca -0.46 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 2i96 h PRO 65 Cb 1.20 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 2i96 h PRO 65 CO 0.67 -0.02 0.56 0.20 -0.21 0.00 0.00 178.00 179.21 2i96 s GLY 66 N -3.74 1.39 0.26 -0.55 0.00 -1.26 -5.01 107.32 98.40 2i96 s GLY 66 Ca -0.14 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.84 2i96 s GLY 66 CO 0.74 2.06 0.98 -0.32 0.00 0.00 0.00 173.10 176.57 2i96 s GLY 67 N 3.12 3.08 0.00 0.20 0.00 -1.24 -4.42 107.32 108.06 2i96 s GLY 67 Ca 0.28 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.69 2i96 s GLY 67 CO 0.16 1.26 0.00 -2.21 0.00 0.00 0.00 173.10 172.31 2i96 n GLU 68 N 1.33 0.00 -0.21 2.90 2.13 -0.91 -2.57 120.64 123.31 2i96 n GLU 68 Ca -0.01 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 2i96 n GLU 68 Cb 0.47 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.27 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 0.51 0.00 5.31 4.81 -1.92 0.64 114.58 123.93 2i96 h GLU 69 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2i96 h GLU 69 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2i96 h GLU 69 CO 0.00 0.34 0.00 0.28 -0.73 0.00 0.00 179.01 178.90 2i96 n VAL 70 N -4.90 0.74 -0.04 0.32 0.31 -1.06 -1.76 118.33 111.94 2i96 n VAL 70 Ca 0.08 0.07 -0.17 0.00 -0.01 0.00 0.00 64.34 64.32 2i96 n VAL 70 Cb 0.22 -0.96 -0.13 0.00 -0.91 0.00 0.00 33.84 32.05 2i96 n VAL 70 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2i96 h LEU 71 N 0.00 0.14 -0.65 7.52 3.38 -1.15 -3.39 115.31 121.17 2i96 h LEU 71 Ca 0.00 -0.94 0.13 0.00 0.09 0.00 0.00 57.88 57.16 2i96 h LEU 71 Cb 0.47 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 2i96 h LEU 71 CO 0.00 1.17 0.08 -0.09 0.09 0.00 0.00 178.44 179.70 2i96 h ARG 72 N -0.80 0.19 -0.09 1.13 2.43 -0.26 -0.73 114.38 116.25 2i96 h ARG 72 Ca -0.08 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2i96 h ARG 72 Cb 1.23 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2i96 h ARG 72 CO 0.03 0.12 0.09 1.49 -1.51 0.00 0.00 179.97 180.19 2i96 h GLU 73 N 0.19 0.00 0.00 0.20 4.81 -1.59 -1.60 114.58 116.59 2i96 h GLU 73 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2i96 h GLU 73 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2i96 h GLU 73 CO -0.50 0.00 -0.00 1.04 -0.73 0.00 0.00 179.01 178.82 2i96 n GLN 74 N -3.89 2.64 -3.72 1.92 1.13 -0.66 -5.04 117.38 109.76 2i96 n GLN 74 Ca -0.01 -1.64 -0.33 0.00 -1.94 0.00 0.00 57.00 53.08 2i96 n GLN 74 Cb 0.19 -1.06 -0.05 0.00 0.11 0.00 0.00 30.24 29.43 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 -1.26 3.83 0.00 -1.58 0.00 -0.37 -4.10 121.76 118.28 2i96 s ALA 75 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2i96 s ALA 75 Cb 0.04 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2i96 s ALA 75 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 2i96 n GLY 76 N 0.61 1.11 0.00 0.00 0.00 -0.17 -4.60 105.19 102.13 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 -2.00 3.89 3.71 -0.02 0.00 -1.26 -3.54 105.19 105.98 2i96 n GLY 77 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.05 7.33 -0.17 1.61 -4.77 -1.26 -1.07 116.67 118.29 2i96 s ASP 78 Ca 0.00 1.76 0.17 0.00 -3.30 0.00 0.00 52.55 51.18 2i96 s ASP 78 Cb 0.00 -2.58 0.49 0.00 -1.09 0.00 0.00 42.92 39.74 2i96 s ASP 78 CO 0.00 -0.27 1.37 0.00 0.70 0.00 0.00 175.17 176.97 2i96 n ALA 79 N 3.70 2.86 0.49 2.11 0.00 -0.56 -4.78 120.51 124.33 2i96 n ALA 79 Ca 0.06 -2.34 0.10 0.00 0.00 0.00 0.00 53.44 51.25 2i96 n ALA 79 Cb 0.50 -0.65 0.41 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.65 0.86 0.25 0.00 5.66 -1.26 -3.19 114.28 115.95 2i96 n THR 80 Ca 0.20 0.20 -0.14 0.00 -3.05 0.00 0.00 64.05 61.27 2i96 n THR 80 Cb 0.84 -1.02 -0.07 0.00 -1.55 0.00 0.00 70.33 68.53 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 -0.78 -0.74 1.09 4.81 -1.97 -0.80 114.58 116.18 2i96 h GLU 81 Ca 0.00 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2i96 h GLU 81 Cb 0.33 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2i96 h GLU 81 CO 0.00 -0.52 0.49 -0.97 -0.73 0.00 0.00 179.01 177.28 2i96 h ASN 82 N -0.81 0.52 0.19 1.04 -0.00 -1.97 -1.36 115.58 113.20 2i96 h ASN 82 Ca -0.06 0.02 -0.15 0.00 -0.00 0.00 0.00 56.30 56.11 2i96 h ASN 82 Cb 0.68 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.90 2i96 h ASN 82 CO -0.01 0.30 -0.55 0.15 -0.00 0.00 0.00 177.43 177.32 2i96 h PHE 83 N 0.57 0.48 0.09 0.67 3.57 -1.54 -2.38 116.94 118.40 2i96 h PHE 83 Ca 0.35 -0.17 -0.25 0.00 3.53 0.00 0.00 57.97 61.43 2i96 h PHE 83 Cb 0.59 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2i96 h PHE 83 CO -0.00 0.85 -1.31 0.93 -2.23 0.00 0.00 178.31 176.54 2i96 h GLU 84 N 0.29 0.19 -0.60 1.11 4.39 -0.60 -2.91 114.58 116.46 2i96 h GLU 84 Ca 0.00 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 2i96 h GLU 84 Cb 1.06 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 2i96 h GLU 84 CO 0.09 1.16 0.24 0.22 -1.16 0.00 0.00 179.01 179.56 2i96 h ASP 85 N -0.44 0.83 0.00 1.42 3.58 -1.32 -3.39 116.42 117.10 2i96 h ASP 85 Ca -0.29 -0.17 -0.13 0.00 0.42 0.00 0.00 57.03 56.86 2i96 h ASP 85 Cb 1.65 -0.22 -0.11 0.00 1.72 0.00 0.00 39.33 42.37 2i96 h ASP 85 CO 0.01 0.78 0.00 0.55 -2.88 0.00 0.00 179.24 177.71 2i96 n VAL 86 N -4.46 0.00 -3.56 2.25 3.14 -1.14 -5.11 118.33 109.46 2i96 n VAL 86 Ca 0.04 -0.85 -0.39 0.00 -2.96 0.00 0.00 64.34 60.17 2i96 n VAL 86 Cb 0.17 0.94 -0.11 0.00 -1.06 0.00 0.00 33.84 33.78 2i96 n VAL 86 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2i96 s GLY 87 N -0.44 1.95 0.00 7.55 0.00 -0.91 -4.88 107.32 110.59 2i96 s GLY 87 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2i96 s GLY 87 CO -0.10 0.73 0.00 1.42 0.00 0.00 0.00 173.10 175.14 2i96 n HIS 88 N 5.09 -0.81 -2.83 1.90 8.25 -1.26 -4.83 115.22 120.73 2i96 n HIS 88 Ca -0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.27 2i96 n HIS 88 Cb 0.51 0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.73 2i96 n HIS 88 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2i96 s SER 89 N -4.00 -1.17 0.00 0.41 1.04 -1.26 -5.06 113.70 103.66 2i96 s SER 89 Ca 0.00 -1.87 0.00 0.00 0.48 0.00 0.00 55.95 54.56 2i96 s SER 89 Cb 0.00 1.67 0.00 0.00 0.10 0.00 0.00 66.02 67.79 2i96 s SER 89 CO 0.00 -0.06 0.00 0.41 0.98 0.00 0.00 173.24 174.57 2i96 n THR 90 N 2.94 0.00 -0.34 2.02 -1.04 -1.26 -4.22 114.28 112.37 2i96 n THR 90 Ca 0.19 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.36 2i96 n THR 90 Cb 0.55 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 69.38 2i96 n THR 90 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2i96 h ASP 91 N 0.00 -0.43 0.00 8.00 5.19 -2.00 0.32 116.42 127.50 2i96 h ASP 91 Ca 0.00 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2i96 h ASP 91 Cb 0.00 0.48 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2i96 h ASP 91 CO 0.00 -0.37 0.00 0.00 -3.12 0.00 0.00 179.24 175.75 2i96 n ALA 92 N -3.08 2.34 1.06 3.45 0.00 -1.26 -0.50 120.51 122.52 2i96 n ALA 92 Ca 0.25 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2i96 n ALA 92 Cb 0.81 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.98 0.41 0.00 0.00 1.85 0.11 -3.86 116.66 114.20 2i96 n ARG 93 Ca 0.16 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2i96 n ARG 93 Cb 0.08 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 2i96 n ARG 93 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2i96 n GLU 94 N -1.04 2.53 0.15 2.89 -0.58 -0.34 -4.63 120.64 119.62 2i96 n GLU 94 Ca 0.07 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.83 2i96 n GLU 94 Cb 0.36 -0.97 0.20 0.00 -0.57 0.00 0.00 31.44 30.45 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 0.00 -0.01 3.49 4.05 -0.96 -3.29 114.93 118.20 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 0.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2i96 h MET 95 CO 0.00 0.54 -0.09 -1.13 0.23 0.00 0.00 176.91 176.47 2i96 n SER 96 N -3.58 1.49 -0.35 1.39 3.41 -1.25 -4.34 113.62 110.38 2i96 n SER 96 Ca -0.00 -1.36 0.12 0.00 -0.26 0.00 0.00 58.87 57.36 2i96 n SER 96 Cb 0.62 0.05 0.31 0.00 -0.26 0.00 0.00 64.21 64.93 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 2.20 0.78 -0.05 4.33 1.57 -1.85 -0.72 116.57 122.84 2i96 h LYS 97 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2i96 h LYS 97 Cb 0.55 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2i96 h LYS 97 CO 0.00 0.51 0.00 0.25 -0.57 0.00 0.00 179.45 179.64 2i96 n THR 98 N -4.74 0.05 0.46 -0.16 -2.24 -1.26 -3.13 114.28 103.26 2i96 n THR 98 Ca 0.23 -0.22 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 2i96 n THR 98 Cb 0.54 0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.03 0.00 -2.33 4.78 3.72 -0.28 -4.85 117.46 118.46 2i96 n PHE 99 Ca 0.19 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.20 2i96 n PHE 99 Cb 0.29 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 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 -3.17 3.60 -1.62 4.37 1.01 -1.18 -1.64 121.20 122.57 2i96 s ILE 100 Ca -0.00 0.06 0.24 0.00 0.00 0.00 0.00 60.65 60.94 2i96 s ILE 100 Cb 0.14 -4.52 0.03 0.00 0.01 0.00 0.00 42.46 38.12 2i96 s ILE 100 CO 0.84 -1.46 1.23 2.30 0.00 0.00 0.00 174.94 177.85 2i96 n ILE 101 N 6.91 0.00 -3.51 2.92 -5.35 -0.48 -5.02 119.36 114.83 2i96 n ILE 101 Ca 0.18 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2i96 n ILE 101 Cb 0.50 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 1.42 -0.90 0.21 3.28 0.00 -1.23 -4.95 105.19 103.03 2i96 n GLY 102 Ca 0.09 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 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 1.24 -3.09 1.61 1.02 -1.15 -0.27 120.64 120.01 2i96 n GLU 103 Ca 0.00 -0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 56.77 2i96 n GLU 103 Cb 0.00 0.01 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 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 3.40 0.97 -4.62 2.01 -1.17 -0.88 118.68 118.39 2i96 s LEU 104 Ca 0.02 -0.63 -0.11 0.00 0.01 0.00 0.00 54.13 53.43 2i96 s LEU 104 Cb -0.00 -2.19 0.17 0.00 0.01 0.00 0.00 46.19 44.18 2i96 s LEU 104 CO 0.02 -0.98 1.12 -1.00 1.01 0.00 0.00 176.35 176.51 2i96 s HIS 105 N -2.49 1.58 -0.07 0.29 3.76 0.23 -4.22 115.29 114.37 2i96 s HIS 105 Ca 0.56 1.66 0.01 0.00 -0.15 0.00 0.00 55.06 57.14 2i96 s HIS 105 Cb -0.08 -3.28 0.06 0.00 1.11 0.00 0.00 32.58 30.39 2i96 s HIS 105 CO 0.34 -3.02 0.67 -2.30 -0.85 0.00 0.00 174.74 169.59 2i96 n PRO 106 N -4.37 0.01 0.05 8.40 -0.02 -1.26 0.33 135.00 138.14 2i96 n PRO 106 Ca 0.10 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2i96 n PRO 106 Cb 0.53 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 2i96 n PRO 106 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2i96 n ASP 107 N -1.28 0.48 -0.07 2.55 2.03 -1.26 -4.01 116.55 114.98 2i96 n ASP 107 Ca -0.00 0.19 -0.10 0.00 0.52 0.00 0.00 54.79 55.40 2i96 n ASP 107 Cb 0.47 1.11 -0.07 0.00 -0.72 0.00 0.00 41.12 41.91 2i96 n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2i96 n ASP 108 N -2.50 2.80 -4.71 1.67 -0.08 0.34 -4.76 116.55 109.31 2i96 n ASP 108 Ca -0.02 -0.07 -0.42 0.00 -1.51 0.00 0.00 54.79 52.77 2i96 n ASP 108 Cb 0.57 -0.14 -0.03 0.00 2.34 0.00 0.00 41.12 43.85 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2i96 s ARG 109 N -2.29 4.43 -0.00 -0.67 3.00 0.15 -4.36 118.95 119.21 2i96 s ARG 109 Ca -0.19 1.75 -0.00 0.00 -1.00 0.00 0.00 55.73 56.30 2i96 s ARG 109 Cb 0.05 -3.36 -0.00 0.00 0.00 0.00 0.00 34.95 31.64 2i96 s ARG 109 CO 0.35 -0.26 0.00 -2.30 0.00 0.00 0.00 175.30 173.09 2i96 n PRO 110 N 3.99 0.00 0.00 5.12 -0.01 -1.26 -4.47 135.00 138.36 2i96 n PRO 110 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.58 2i96 n PRO 110 Cb 0.47 -0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.95 2i96 n PRO 110 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 2i96 n LYS 111 N 0.01 0.00 0.00 -0.52 5.02 -1.26 -4.45 118.16 116.96 2i96 n LYS 111 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2i96 n LYS 111 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.22 0.00 0.00 -0.35 7.94 -1.26 0.60 117.00 122.71 2i96 n LEU 112 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2i96 n LEU 112 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2i96 n LEU 112 CO 0.00 0.00 0.10 0.59 -1.11 0.00 0.00 177.39 176.97 2i96 n ASN 113 N 4.85 0.38 -2.69 1.96 4.13 -1.26 -5.09 115.26 117.54 2i96 n ASN 113 Ca 0.00 -0.75 -0.03 0.00 1.68 0.00 0.00 54.58 55.47 2i96 n ASN 113 Cb 0.00 0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.41 2i96 n ASN 113 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2i96 n LYS 114 N -0.20 -3.96 -3.31 3.52 4.76 0.20 -5.00 118.16 114.16 2i96 n LYS 114 Ca 0.00 3.06 -0.38 0.00 -2.87 0.00 0.00 58.31 58.12 2i96 n LYS 114 Cb 0.07 -4.82 -0.06 0.00 -1.84 0.00 0.00 35.03 28.38 2i96 n LYS 114 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2i96 s PRO 115 N -0.96 4.26 -0.03 1.97 0.04 -1.26 -5.02 135.00 134.00 2i96 s PRO 115 Ca -0.17 0.52 -0.02 0.00 0.04 0.00 0.00 61.00 61.37 2i96 s PRO 115 Cb 0.01 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2i96 s PRO 115 CO 0.73 0.30 0.17 -1.35 0.04 0.00 0.00 177.00 176.89 2i96 h PRO 116 N 6.09 -0.07 0.00 0.56 0.11 -2.03 -3.50 132.00 133.16 2i96 h PRO 116 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2i96 h PRO 116 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2i96 h PRO 116 CO 0.72 -0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 2i96 n GLU 117 N -3.10 1.17 0.00 1.05 -0.58 -1.26 -5.17 120.64 112.74 2i96 n GLU 117 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2i96 n GLU 117 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 2i96 n GLU 117 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2i96 n THR 118 N 0.00 0.00 0.00 2.62 -1.04 -1.26 -5.12 114.28 109.48 2i96 n THR 118 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2i96 n THR 118 Cb 0.00 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 0.00 0.00 -3.93 -4.42 7.99 -1.26 -5.03 117.00 110.35 2i96 n LEU 119 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 2i96 n LEU 119 Cb 0.00 -0.01 -0.15 0.00 -0.11 0.00 0.00 43.42 43.15 2i96 n LEU 119 CO 0.00 -0.16 -0.34 0.27 -1.51 0.00 0.00 177.39 175.66 2i96 s ILE 120 N -0.31 1.80 -0.19 -0.08 -4.36 -1.26 -4.96 121.20 111.85 2i96 s ILE 120 Ca 0.00 -1.99 -0.15 0.00 -0.26 0.00 0.00 60.65 58.24 2i96 s ILE 120 Cb 0.00 -2.32 -0.10 0.00 1.25 0.00 0.00 42.46 41.29 2i96 s ILE 120 CO 0.00 -0.60 -0.10 0.35 0.24 0.00 0.00 174.94 174.83 2i96 n THR 121 N 4.46 1.48 -2.78 8.37 -2.24 -1.26 -4.77 114.28 117.54 2i96 n THR 121 Ca 0.01 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2i96 n THR 121 Cb 0.42 -2.20 -0.02 0.00 -2.10 0.00 0.00 70.33 66.43 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 -2.41 4.49 -0.08 4.28 -4.23 -1.26 -4.70 115.64 111.73 2i96 s THR 122 Ca -0.25 -1.64 0.14 0.00 -1.18 0.00 0.00 61.69 58.76 2i96 s THR 122 Cb 0.05 -4.94 -0.24 0.00 1.34 0.00 0.00 72.50 68.71 2i96 s THR 122 CO 0.41 -1.72 0.52 -0.38 -0.54 0.00 0.00 174.62 172.90 2i96 n ILE 123 N 5.81 1.56 0.32 2.99 5.41 -1.26 -3.01 119.36 131.18 2i96 n ILE 123 Ca 0.33 -0.81 -0.17 0.00 1.00 0.00 0.00 62.75 63.10 2i96 n ILE 123 Cb 0.48 -0.90 -0.09 0.00 -0.71 0.00 0.00 39.64 38.42 2i96 n ILE 123 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2i96 h ASP 124 N 0.00 -0.67 0.00 4.38 2.03 -2.01 -3.38 116.42 116.77 2i96 h ASP 124 Ca -0.35 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2i96 h ASP 124 Cb 2.07 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 40.74 2i96 h ASP 124 CO 0.07 -0.44 -0.26 -1.20 -1.03 0.00 0.00 179.24 176.38 2i96 n SER 125 N -5.41 0.00 0.00 4.15 7.64 -1.26 -5.14 113.62 113.60 2i96 n SER 125 Ca -0.13 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2i96 n SER 125 Cb 0.33 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2i96 n SER 125 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i96 n SER 126 N 0.00 0.00 -4.68 6.43 7.64 -1.16 -4.85 113.62 116.99 2i96 n SER 126 Ca 0.00 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.35 2i96 n SER 126 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 2i96 n SER 126 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2i96 n SER 127 N -0.29 2.70 0.00 6.43 3.41 -1.26 -4.82 113.62 119.80 2i96 n SER 127 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2i96 n SER 127 Cb 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 2i96 n SER 127 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64