#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 -0.99 -5.12 0.00 -1.26 -5.10 120.51 108.04 2i96 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i96 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i96 n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2i96 n GLU 23 N 0.00 0.00 0.00 0.00 4.07 -1.26 -4.52 120.64 118.93 2i96 n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2i96 n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2i96 n GLU 23 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2i96 n GLN 24 N 0.00 0.00 0.26 5.31 -0.06 -1.26 -5.05 117.38 116.58 2i96 n GLN 24 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 2i96 n GLN 24 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 2i96 n GLN 24 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2i96 h SER 25 N 0.00 -0.57 0.00 1.69 4.64 -2.07 -3.43 113.55 113.81 2i96 h SER 25 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2i96 h SER 25 Cb 0.00 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2i96 h SER 25 CO 0.00 -0.33 0.00 -0.90 -0.87 0.00 0.00 176.83 174.73 2i96 n ASP 26 N -4.23 0.00 0.00 4.97 5.75 -1.26 -5.05 116.55 116.73 2i96 n ASP 26 Ca -0.08 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 2i96 n ASP 26 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2i96 n ASP 26 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2i96 n GLU 27 N 0.00 0.00 -0.85 0.11 4.07 -1.26 -4.91 120.64 117.80 2i96 n GLU 27 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 2i96 n GLU 27 Cb 0.32 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.67 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i96 n ALA 28 N 0.00 -2.19 -3.87 4.31 0.00 -1.26 -4.82 120.51 112.68 2i96 n ALA 28 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 2i96 n ALA 28 Cb 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.36 1.10 -0.05 0.00 1.01 -1.26 -5.09 120.40 114.75 2i96 s VAL 29 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2i96 s VAL 29 Cb 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 2i96 s VAL 29 CO 0.00 0.38 1.94 -0.54 0.00 0.00 0.00 175.10 176.88 2i96 s LYS 30 N 1.56 3.93 0.23 2.72 1.02 -1.26 -4.87 119.74 123.08 2i96 s LYS 30 Ca 0.03 2.36 0.05 0.00 0.02 0.00 0.00 55.97 58.43 2i96 s LYS 30 Cb -0.13 -4.17 -0.03 0.00 -0.52 0.00 0.00 37.83 32.98 2i96 s LYS 30 CO -0.07 -1.18 0.33 0.71 -0.92 0.00 0.00 175.35 174.22 2i96 s TYR 31 N 5.17 3.42 0.03 3.18 2.02 -1.26 -1.02 117.35 128.89 2i96 s TYR 31 Ca 0.87 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 57.57 2i96 s TYR 31 Cb -0.38 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2i96 s TYR 31 CO 0.38 0.46 -0.07 0.71 -1.57 0.00 0.00 175.55 175.45 2i96 s TYR 32 N -1.97 0.59 0.63 2.71 2.02 0.16 -4.76 117.35 116.73 2i96 s TYR 32 Ca 0.34 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.54 2i96 s TYR 32 Cb -0.09 -0.36 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 2i96 s TYR 32 CO 0.28 -0.07 1.03 0.95 -1.57 0.00 0.00 175.55 176.18 2i96 s THR 33 N -1.03 4.52 0.22 -0.71 -4.23 -1.26 -0.01 115.64 113.14 2i96 s THR 33 Ca -0.07 0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 61.21 2i96 s THR 33 Cb -0.08 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.18 2i96 s THR 33 CO 0.00 -1.04 1.78 0.25 -0.54 0.00 0.00 174.62 175.08 2i96 h LEU 34 N -0.30 0.44 -0.55 4.79 5.85 -1.94 -2.94 115.31 120.67 2i96 h LEU 34 Ca -0.44 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.41 2i96 h LEU 34 Cb 1.19 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 2i96 h LEU 34 CO 0.61 0.27 0.19 -0.08 -0.34 0.00 0.00 178.44 179.08 2i96 h GLU 35 N 0.59 0.35 0.00 1.25 4.22 -1.96 0.53 114.58 119.55 2i96 h GLU 35 Ca 0.32 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.72 2i96 h GLU 35 Cb 0.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2i96 h GLU 35 CO -0.25 0.23 -0.30 1.05 -2.18 0.00 0.00 179.01 177.57 2i96 h GLU 36 N 0.36 0.00 0.00 1.92 4.11 -1.93 -2.67 114.58 116.37 2i96 h GLU 36 Ca 0.27 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.43 2i96 h GLU 36 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2i96 h GLU 36 CO -0.29 0.09 -1.47 0.82 0.07 0.00 0.00 179.01 178.24 2i96 h ILE 37 N 0.00 1.14 0.00 -1.06 2.04 -1.18 -3.14 117.51 115.31 2i96 h ILE 37 Ca -0.01 -2.94 -0.01 0.00 1.00 0.00 0.00 64.86 62.90 2i96 h ILE 37 Cb 1.09 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.73 2i96 h ILE 37 CO 0.01 0.66 -0.04 -0.61 0.00 0.00 0.00 178.15 178.16 2i96 h GLN 38 N 0.00 0.00 -0.01 2.37 5.75 0.15 -2.46 115.11 120.91 2i96 h GLN 38 Ca -0.19 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 2i96 h GLN 38 Cb 1.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.48 2i96 h GLN 38 CO 0.10 0.04 -0.45 1.17 -2.65 0.00 0.00 178.83 177.04 2i96 n LYS 39 N -3.24 1.04 -1.53 1.69 4.81 -1.02 -3.98 118.16 115.93 2i96 n LYS 39 Ca -0.01 -0.81 -0.24 0.00 -0.87 0.00 0.00 58.31 56.39 2i96 n LYS 39 Cb 0.23 -1.48 0.08 0.00 0.02 0.00 0.00 35.03 33.88 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 -0.28 2.58 -1.06 5.64 8.25 -0.93 -4.67 115.22 124.76 2i96 n HIS 40 Ca 0.10 -2.36 -0.01 0.00 -0.26 0.00 0.00 57.72 55.19 2i96 n HIS 40 Cb 0.43 -0.76 0.30 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.88 4.51 -1.26 0.41 6.94 -1.25 0.45 115.26 124.19 2i96 n ASN 41 Ca 0.49 -3.20 0.00 0.00 -0.02 0.00 0.00 54.58 51.85 2i96 n ASN 41 Cb 0.90 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.24 0.00 0.23 -2.53 1.44 -1.12 -4.71 115.22 108.29 2i96 n HIS 42 Ca 0.34 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.90 2i96 n HIS 42 Cb 1.22 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 31.25 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 -1.16 -0.56 4.39 4.64 -1.98 -2.98 113.55 115.90 2i96 h SER 43 Ca 0.00 0.10 0.16 0.00 -0.47 0.00 0.00 61.79 61.58 2i96 h SER 43 Cb 0.00 0.39 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2i96 h SER 43 CO 0.00 -0.54 0.50 0.11 -0.87 0.00 0.00 176.83 176.03 2i96 h LYS 44 N -0.82 0.00 -1.63 4.77 6.56 -1.98 -3.41 116.57 120.07 2i96 h LYS 44 Ca -0.05 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.61 2i96 h LYS 44 Cb 0.71 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.12 2i96 h LYS 44 CO -0.07 0.00 0.37 0.45 -2.06 0.00 0.00 179.45 178.14 2i96 s SER 45 N -5.46 -0.53 -0.26 0.86 0.15 -1.13 -5.07 113.70 102.26 2i96 s SER 45 Ca -0.05 0.93 0.02 0.00 0.70 0.00 0.00 55.95 57.56 2i96 s SER 45 Cb 0.18 1.08 0.07 0.00 -1.71 0.00 0.00 66.02 65.63 2i96 s SER 45 CO 0.63 -0.15 -0.07 -0.89 1.20 0.00 0.00 173.24 173.95 2i96 s THR 46 N 0.78 1.98 -0.06 6.45 2.01 -1.23 -2.79 115.64 122.78 2i96 s THR 46 Ca -0.03 -1.61 0.01 0.00 0.31 0.00 0.00 61.69 60.37 2i96 s THR 46 Cb -0.04 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 2i96 s THR 46 CO -0.10 -0.14 -0.08 0.26 -0.69 0.00 0.00 174.62 173.87 2i96 s TRP 47 N 1.17 2.90 0.42 4.92 0.51 0.17 -1.68 118.94 127.35 2i96 s TRP 47 Ca -0.05 -0.01 0.04 0.00 -2.12 0.00 0.00 56.10 53.96 2i96 s TRP 47 Cb -0.19 -1.69 -0.02 0.00 -0.81 0.00 0.00 33.47 30.76 2i96 s TRP 47 CO -0.06 0.31 0.15 -0.48 -0.51 0.00 0.00 176.95 176.36 2i96 s LEU 48 N -0.84 1.98 0.03 2.99 2.34 -0.63 -2.21 118.68 122.33 2i96 s LEU 48 Ca 0.13 -1.73 0.01 0.00 0.06 0.00 0.00 54.13 52.60 2i96 s LEU 48 Cb -0.11 -0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.46 2i96 s LEU 48 CO 0.02 -0.99 -0.06 -0.63 -1.06 0.00 0.00 176.35 173.63 2i96 s ILE 49 N -3.19 0.38 0.00 1.48 1.01 -0.75 -0.14 121.20 119.99 2i96 s ILE 49 Ca 0.23 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2i96 s ILE 49 Cb 0.02 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.01 2i96 s ILE 49 CO 0.15 -0.43 0.00 0.18 0.00 0.00 0.00 174.94 174.85 2i96 n LEU 50 N 1.52 0.00 -2.65 2.97 4.77 -1.22 -0.16 117.00 122.22 2i96 n LEU 50 Ca -0.23 -0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 55.60 2i96 n LEU 50 Cb 0.55 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.71 2i96 n LEU 50 CO 0.20 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 177.00 2i96 n HIS 51 N -0.29 -0.18 0.00 -1.77 1.44 -1.26 -4.52 115.22 108.65 2i96 n HIS 51 Ca 0.00 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.11 2i96 n HIS 51 Cb 0.00 1.13 0.00 0.00 0.12 0.00 0.00 29.99 31.24 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 0.15 0.00 -3.48 -1.40 8.25 -1.26 -4.95 115.22 112.53 2i96 n HIS 52 Ca -0.15 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.94 2i96 n HIS 52 Cb 0.72 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.64 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 4.25 0.16 -0.41 1.02 -1.26 -2.78 119.74 120.72 2i96 s LYS 53 Ca 0.00 0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.87 2i96 s LYS 53 Cb 0.00 -3.45 -0.08 0.00 -0.52 0.00 0.00 37.83 33.78 2i96 s LYS 53 CO 0.00 0.17 0.83 0.54 -0.92 0.00 0.00 175.35 175.97 2i96 s VAL 54 N 0.67 4.35 0.29 3.17 0.11 0.05 -3.40 120.40 125.65 2i96 s VAL 54 Ca 0.18 1.82 0.11 0.00 -2.93 0.00 0.00 61.98 61.16 2i96 s VAL 54 Cb -0.14 -4.20 -0.05 0.00 -1.53 0.00 0.00 36.38 30.46 2i96 s VAL 54 CO 0.05 0.48 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.87 2i96 s TYR 55 N -0.91 2.42 0.10 1.54 1.51 0.80 -1.60 117.35 121.20 2i96 s TYR 55 Ca 0.38 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 2i96 s TYR 55 Cb -0.24 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2i96 s TYR 55 CO 0.28 0.66 -0.19 0.34 -1.11 0.00 0.00 175.55 175.53 2i96 s ASP 56 N -3.57 3.82 0.04 2.29 -1.08 -0.82 -1.61 116.67 115.73 2i96 s ASP 56 Ca 0.31 -0.54 -0.01 0.00 -0.52 0.00 0.00 52.55 51.79 2i96 s ASP 56 Cb -0.04 -0.54 -0.00 0.00 -1.46 0.00 0.00 42.92 40.88 2i96 s ASP 56 CO 0.17 0.20 -0.02 0.18 0.52 0.00 0.00 175.17 176.22 2i96 n LEU 57 N 0.99 0.61 0.00 -1.34 4.77 -0.67 -4.90 117.00 116.46 2i96 n LEU 57 Ca -0.16 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2i96 n LEU 57 Cb 0.53 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2i96 n LEU 57 CO 0.28 -0.61 0.00 0.35 -1.33 0.00 0.00 177.39 176.08 2i96 n THR 58 N -3.06 0.00 0.13 -5.08 -2.24 -1.26 -0.03 114.28 102.75 2i96 n THR 58 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2i96 n THR 58 Cb 0.02 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.39 2i96 n THR 58 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2i96 h LYS 59 N 0.00 0.00 0.00 -0.78 2.10 -1.97 -3.30 116.57 112.62 2i96 h LYS 59 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2i96 h LYS 59 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2i96 h LYS 59 CO 0.00 0.63 -0.00 0.35 -2.00 0.00 0.00 179.45 178.43 2i96 h PHE 60 N 0.00 0.00 -0.82 0.07 3.57 -0.82 -3.13 116.94 115.81 2i96 h PHE 60 Ca -0.01 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 2i96 h PHE 60 Cb 1.20 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2i96 h PHE 60 CO 0.00 0.00 0.59 -0.07 -2.23 0.00 0.00 178.31 176.60 2i96 h LEU 61 N 0.00 0.05 0.00 0.59 3.38 -1.77 0.78 115.31 118.33 2i96 h LEU 61 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2i96 h LEU 61 Cb 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2i96 h LEU 61 CO 0.00 0.02 -1.41 -0.62 0.09 0.00 0.00 178.44 176.52 2i96 n GLU 62 N -4.32 0.57 -0.00 1.13 1.02 -1.18 -4.30 120.64 113.55 2i96 n GLU 62 Ca 0.17 -0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.38 2i96 n GLU 62 Cb 0.86 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.48 2i96 n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2i96 n GLU 63 N -2.38 0.52 -2.90 3.49 -0.58 0.21 -4.89 120.64 114.11 2i96 n GLU 63 Ca -0.01 -0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.22 2i96 n GLU 63 Cb 0.54 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.90 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 -3.14 3.41 0.52 -0.32 2.46 -0.87 -4.96 115.29 112.39 2i96 s HIS 64 Ca 0.00 1.24 0.18 0.00 0.47 0.00 0.00 55.06 56.95 2i96 s HIS 64 Cb 0.14 -3.01 1.31 0.00 -0.13 0.00 0.00 32.58 30.89 2i96 s HIS 64 CO 0.84 -0.25 2.13 -1.00 -2.47 0.00 0.00 174.74 173.99 2i96 h PRO 65 N 7.36 0.00 0.00 2.88 0.13 -1.93 -3.14 132.00 137.30 2i96 h PRO 65 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2i96 h PRO 65 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2i96 h PRO 65 CO 0.84 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 2i96 n GLY 66 N -1.54 -0.86 0.00 1.56 0.00 -1.26 -4.88 105.19 98.21 2i96 n GLY 66 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.37 4.13 0.22 -0.02 0.00 -1.19 -4.89 105.19 103.07 2i96 n GLY 67 Ca 0.03 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 2i96 n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2i96 h GLU 68 N 0.00 -0.51 -0.10 1.61 4.81 -1.81 -3.36 114.58 115.21 2i96 h GLU 68 Ca 0.00 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2i96 h GLU 68 Cb 0.00 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2i96 h GLU 68 CO 0.00 -0.34 -0.39 0.93 -0.73 0.00 0.00 179.01 178.47 2i96 h GLU 69 N -0.71 0.23 0.00 1.92 5.08 -1.95 -3.12 114.58 116.03 2i96 h GLU 69 Ca -0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2i96 h GLU 69 Cb 0.41 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2i96 h GLU 69 CO 0.09 0.59 0.00 -0.24 -1.00 0.00 0.00 179.01 178.45 2i96 h VAL 70 N 0.19 0.00 0.00 3.13 3.04 -1.91 -2.68 116.25 118.02 2i96 h VAL 70 Ca 0.02 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2i96 h VAL 70 Cb 0.78 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2i96 h VAL 70 CO 0.06 0.00 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.55 2i96 h LEU 71 N 0.00 -0.00 -0.76 3.16 3.38 -1.68 -3.31 115.31 116.10 2i96 h LEU 71 Ca 0.00 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.55 2i96 h LEU 71 Cb 0.45 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2i96 h LEU 71 CO 0.00 0.53 0.36 0.03 0.09 0.00 0.00 178.44 179.45 2i96 h ARG 72 N -0.54 0.55 0.00 1.13 3.08 -1.65 -2.71 114.38 114.24 2i96 h ARG 72 Ca -0.00 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2i96 h ARG 72 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2i96 h ARG 72 CO 0.00 0.37 -0.47 1.49 -1.07 0.00 0.00 179.97 180.29 2i96 h GLU 73 N 0.57 0.00 -0.27 0.04 4.81 -1.67 -2.85 114.58 115.21 2i96 h GLU 73 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2i96 h GLU 73 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2i96 h GLU 73 CO -0.32 0.47 0.00 1.04 -0.73 0.00 0.00 179.01 179.46 2i96 n GLN 74 N -3.30 2.27 -3.03 1.92 1.13 -1.04 -4.93 117.38 110.40 2i96 n GLN 74 Ca 0.01 -1.90 -0.36 0.00 -1.94 0.00 0.00 57.00 52.81 2i96 n GLN 74 Cb 0.67 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.48 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 -1.66 3.37 0.00 -1.58 0.00 -1.08 -4.22 121.76 116.59 2i96 s ALA 75 Ca 0.36 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2i96 s ALA 75 Cb 0.21 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2i96 s ALA 75 CO 0.30 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2i96 n GLY 76 N 0.67 1.26 0.00 0.00 0.00 -0.94 -4.72 105.19 101.46 2i96 n GLY 76 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.86 -1.30 3.62 -0.02 0.00 -1.26 -4.38 105.19 100.99 2i96 n GLY 77 Ca 0.00 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2i96 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i96 s ASP 78 N -0.77 6.20 -0.07 1.61 1.01 -1.25 -1.82 116.67 121.59 2i96 s ASP 78 Ca 0.00 1.67 0.03 0.00 0.71 0.00 0.00 52.55 54.96 2i96 s ASP 78 Cb 0.00 -2.53 0.22 0.00 1.01 0.00 0.00 42.92 41.62 2i96 s ASP 78 CO 0.00 -1.40 0.89 0.00 0.21 0.00 0.00 175.17 174.87 2i96 n ALA 79 N 9.05 2.94 1.20 5.23 0.00 0.77 -4.38 120.51 135.31 2i96 n ALA 79 Ca 0.21 -0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.15 2i96 n ALA 79 Cb 0.45 -1.05 0.32 0.00 0.00 0.00 0.00 19.45 19.17 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 0.16 0.00 -0.02 0.00 5.66 -1.26 -2.34 114.28 116.47 2i96 n THR 80 Ca 0.09 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.00 2i96 n THR 80 Cb 0.55 -0.48 -0.02 0.00 -1.55 0.00 0.00 70.33 68.82 2i96 n THR 80 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2i96 h GLU 81 N 0.00 -0.14 0.00 1.09 5.08 -1.96 0.20 114.58 118.84 2i96 h GLU 81 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2i96 h GLU 81 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2i96 h GLU 81 CO 0.00 -0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.00 2i96 n ASN 82 N -5.29 0.00 -0.10 1.42 5.03 -0.99 -2.47 115.26 112.86 2i96 n ASN 82 Ca -0.02 -0.65 -0.12 0.00 0.87 0.00 0.00 54.58 54.66 2i96 n ASN 82 Cb 0.21 -0.10 -0.15 0.00 -1.02 0.00 0.00 39.78 38.72 2i96 n ASN 82 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2i96 n PHE 83 N -1.10 0.09 0.82 3.10 -0.00 -0.66 -3.01 117.46 116.70 2i96 n PHE 83 Ca 0.19 0.03 0.12 0.00 -0.00 0.00 0.00 57.45 57.80 2i96 n PHE 83 Cb 0.15 -1.02 0.31 0.00 -0.00 0.00 0.00 39.48 38.92 2i96 n PHE 83 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2i96 n GLU 84 N -2.93 0.12 -3.78 -4.13 1.02 -0.03 -3.39 120.64 107.52 2i96 n GLU 84 Ca -0.36 0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.52 2i96 n GLU 84 Cb 1.10 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 2i96 n GLU 84 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2i96 s ASP 85 N -3.55 5.34 -1.06 1.62 2.15 -1.03 -4.83 116.67 115.30 2i96 s ASP 85 Ca 0.10 -3.74 -0.20 0.00 0.43 0.00 0.00 52.55 49.14 2i96 s ASP 85 Cb 0.16 -1.76 0.02 0.00 -0.30 0.00 0.00 42.92 41.03 2i96 s ASP 85 CO 0.66 -0.14 0.69 0.55 -0.17 0.00 0.00 175.17 176.77 2i96 n VAL 86 N 2.21 -4.25 -3.87 1.11 3.14 -1.26 -4.81 118.33 110.60 2i96 n VAL 86 Ca 0.20 -0.52 -0.36 0.00 -2.96 0.00 0.00 64.34 60.70 2i96 n VAL 86 Cb 0.36 -3.34 -0.13 0.00 -1.06 0.00 0.00 33.84 29.67 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 -3.33 1.68 0.30 7.55 0.00 -1.17 -4.92 107.32 107.44 2i96 s GLY 87 Ca 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2i96 s GLY 87 CO 0.91 0.45 0.00 1.42 0.00 0.00 0.00 173.10 175.87 2i96 n HIS 88 N 4.77 -2.73 -4.32 1.90 8.25 -1.26 -4.84 115.22 117.00 2i96 n HIS 88 Ca -0.17 1.39 -0.17 0.00 -0.26 0.00 0.00 57.72 58.50 2i96 n HIS 88 Cb 0.51 -2.48 -0.05 0.00 1.12 0.00 0.00 29.99 29.09 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 -3.59 0.69 0.27 0.41 3.41 -1.26 -5.03 113.62 108.52 2i96 n SER 89 Ca -0.01 -2.60 0.18 0.00 -0.26 0.00 0.00 58.87 56.18 2i96 n SER 89 Cb 0.49 0.89 0.94 0.00 -0.26 0.00 0.00 64.21 66.27 2i96 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i96 h THR 90 N 1.58 0.26 -0.53 6.66 1.03 -2.00 -1.18 112.91 118.72 2i96 h THR 90 Ca -0.22 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.27 2i96 h THR 90 Cb 0.89 0.86 -0.07 0.00 -1.07 0.00 0.00 68.15 68.76 2i96 h THR 90 CO 0.34 0.00 0.14 0.44 -0.01 0.00 0.00 175.52 176.42 2i96 h ASP 91 N 0.00 0.06 0.06 0.00 5.19 -2.02 -1.33 116.42 118.39 2i96 h ASP 91 Ca 0.04 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2i96 h ASP 91 Cb 0.36 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2i96 h ASP 91 CO -0.00 0.06 -0.01 0.00 -3.12 0.00 0.00 179.24 176.17 2i96 n ALA 92 N -2.51 2.66 1.04 3.45 0.00 -0.45 -2.06 120.51 122.65 2i96 n ALA 92 Ca 0.07 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2i96 n ALA 92 Cb 0.25 -1.44 0.46 0.00 0.00 0.00 0.00 19.45 18.72 2i96 n ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i96 n ARG 93 N -0.81 0.07 -0.03 0.00 0.63 -0.50 -3.81 116.66 112.22 2i96 n ARG 93 Ca 0.22 -0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 57.05 2i96 n ARG 93 Cb 0.17 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 2i96 n ARG 93 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2i96 n GLU 94 N -1.44 0.19 0.20 -0.14 -0.58 -0.97 -4.74 120.64 113.15 2i96 n GLU 94 Ca 0.07 0.08 0.14 0.00 -0.42 0.00 0.00 57.16 57.03 2i96 n GLU 94 Cb 0.33 -0.82 0.75 0.00 -0.57 0.00 0.00 31.44 31.14 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 -0.33 0.00 0.00 3.49 4.05 -1.58 -2.70 114.93 117.86 2i96 h MET 95 Ca -0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2i96 h MET 95 Cb 0.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 2i96 h MET 95 CO -0.09 0.00 -0.55 -1.13 0.23 0.00 0.00 176.91 175.37 2i96 n SER 96 N -4.18 0.62 -0.17 1.39 3.41 -1.25 -4.24 113.62 109.21 2i96 n SER 96 Ca 0.01 0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 2i96 n SER 96 Cb 0.25 0.13 0.43 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.00 0.56 -0.01 4.33 1.57 -1.78 -1.41 116.57 119.82 2i96 h LYS 97 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2i96 h LYS 97 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2i96 h LYS 97 CO 0.00 0.37 -0.01 0.25 -0.57 0.00 0.00 179.45 179.48 2i96 n THR 98 N -4.49 0.00 0.90 -0.16 -2.24 -1.26 -2.96 114.28 104.06 2i96 n THR 98 Ca 0.13 -0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 2i96 n THR 98 Cb 0.39 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.29 0.00 -2.53 4.78 3.72 -0.53 -4.84 117.46 117.76 2i96 n PHE 99 Ca 0.20 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.20 2i96 n PHE 99 Cb 0.27 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.77 3.83 -0.10 4.37 1.01 -1.16 -1.95 121.20 124.44 2i96 s ILE 100 Ca 0.08 -0.37 0.24 0.00 0.00 0.00 0.00 60.65 60.60 2i96 s ILE 100 Cb 0.14 -4.96 0.27 0.00 0.01 0.00 0.00 42.46 37.92 2i96 s ILE 100 CO 0.77 -1.86 1.72 0.16 0.00 0.00 0.00 174.94 175.73 2i96 h ILE 101 N 6.58 0.32 0.00 2.92 3.07 -1.63 -3.49 117.51 125.29 2i96 h ILE 101 Ca 0.04 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.29 2i96 h ILE 101 Cb 1.02 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 2i96 h ILE 101 CO 1.37 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 179.24 2i96 n GLY 102 N 0.61 -0.63 0.00 0.16 0.00 -1.21 -4.83 105.19 99.29 2i96 n GLY 102 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.47 -3.77 1.61 1.02 -0.19 -0.77 120.64 120.02 2i96 n GLU 103 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2i96 n GLU 103 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 4.28 1.16 -4.62 1.43 -1.12 0.38 118.68 120.19 2i96 s LEU 104 Ca 0.00 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.31 2i96 s LEU 104 Cb 0.00 -3.13 0.27 0.00 0.03 0.00 0.00 46.19 43.36 2i96 s LEU 104 CO 0.00 0.05 1.15 -1.00 0.23 0.00 0.00 176.35 176.78 2i96 s HIS 105 N -1.71 0.65 -1.22 0.29 3.76 0.98 -4.47 115.29 113.57 2i96 s HIS 105 Ca 0.38 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 2i96 s HIS 105 Cb -0.12 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.98 2i96 s HIS 105 CO 0.27 -3.67 0.49 -2.30 -0.85 0.00 0.00 174.74 168.69 2i96 n PRO 106 N -4.58 0.00 0.15 8.40 -0.02 -1.26 -0.86 135.00 136.83 2i96 n PRO 106 Ca 0.14 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2i96 n PRO 106 Cb 0.60 -1.54 0.07 0.00 -0.02 0.00 0.00 33.50 32.60 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 -3.38 116.42 115.68 2i96 h ASP 107 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2i96 h ASP 107 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2i96 h ASP 107 CO 0.00 0.15 -0.91 -0.67 -1.03 0.00 0.00 179.24 176.78 2i96 n ASP 108 N -2.98 4.46 -0.10 4.15 2.03 -0.44 -4.58 116.55 119.10 2i96 n ASP 108 Ca 0.01 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.27 2i96 n ASP 108 Cb 0.61 0.40 0.01 0.00 -0.72 0.00 0.00 41.12 41.43 2i96 n ASP 108 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2i96 h ARG 109 N 0.00 0.07 0.00 -0.67 3.08 -1.18 -0.11 114.38 115.57 2i96 h ARG 109 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2i96 h ARG 109 Cb 0.91 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2i96 h ARG 109 CO 0.00 0.05 -0.35 -1.35 -1.07 0.00 0.00 179.97 177.25 2i96 h PRO 110 N 0.07 0.00 0.00 0.04 0.11 -1.83 -3.48 132.00 126.91 2i96 h PRO 110 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2i96 h PRO 110 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2i96 h PRO 110 CO -0.31 0.15 0.00 1.63 -0.21 0.00 0.00 178.00 179.26 2i96 n LYS 111 N -3.07 0.00 0.00 1.05 5.02 -0.05 -3.31 118.16 117.80 2i96 n LYS 111 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2i96 n LYS 111 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.00 0.00 0.00 -0.35 7.94 -1.26 -4.87 117.00 118.46 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 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.68 2i96 n LEU 112 CO 0.00 -0.45 0.00 -3.20 -1.11 0.00 0.00 177.39 172.63 2i96 n ASN 113 N -2.38 0.00 -0.60 1.96 4.05 -1.21 -5.14 115.26 111.94 2i96 n ASN 113 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2i96 n ASN 113 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2i96 n ASN 113 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2i96 n LYS 114 N 0.00 -0.12 -2.53 1.20 5.02 -1.24 -4.97 118.16 115.52 2i96 n LYS 114 Ca 0.00 0.57 -0.43 0.00 -2.02 0.00 0.00 58.31 56.44 2i96 n LYS 114 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 35.03 34.83 2i96 n LYS 114 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2i96 s PRO 115 N -2.82 4.29 0.00 1.97 0.02 -1.26 -4.99 135.00 132.21 2i96 s PRO 115 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.57 2i96 s PRO 115 Cb 0.00 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.86 2i96 s PRO 115 CO 0.00 -0.58 0.04 -2.30 -0.33 0.00 0.00 177.00 173.82 2i96 n PRO 116 N 6.04 0.00 -1.34 5.54 -0.02 -1.26 -4.51 135.00 139.45 2i96 n PRO 116 Ca 0.12 0.17 -0.27 0.00 -2.02 0.00 0.00 63.50 61.51 2i96 n PRO 116 Cb 0.46 -0.70 -0.08 0.00 -0.02 0.00 0.00 33.50 33.16 2i96 n PRO 116 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2i96 n GLU 117 N -1.01 2.94 -3.94 -0.52 0.28 -1.26 -4.70 120.64 112.42 2i96 n GLU 117 Ca 0.00 -1.98 -0.34 0.00 -0.16 0.00 0.00 57.16 54.68 2i96 n GLU 117 Cb 0.00 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 30.54 2i96 n GLU 117 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2i96 n THR 118 N 2.32 -3.71 0.03 3.84 -2.24 -1.26 -4.91 114.28 108.35 2i96 n THR 118 Ca 0.57 -0.69 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2i96 n THR 118 Cb 0.56 -2.95 -0.02 0.00 -2.10 0.00 0.00 70.33 65.82 2i96 n THR 118 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2i96 h LEU 119 N -2.07 -0.26 -7.10 3.22 5.85 -1.86 -3.36 115.31 109.72 2i96 h LEU 119 Ca -0.67 0.03 -0.62 0.00 0.84 0.00 0.00 57.88 57.46 2i96 h LEU 119 Cb 1.38 0.10 -0.41 0.00 0.37 0.00 0.00 40.66 42.10 2i96 h LEU 119 CO 0.56 -0.10 -0.69 -0.63 -0.34 0.00 0.00 178.44 177.24 2i96 s ILE 120 N -3.47 1.97 0.00 4.05 1.01 -1.26 -4.87 121.20 118.62 2i96 s ILE 120 Ca -0.03 -3.07 0.00 0.00 0.00 0.00 0.00 60.65 57.55 2i96 s ILE 120 Cb 0.01 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2i96 s ILE 120 CO 0.10 -0.90 0.00 0.41 0.00 0.00 0.00 174.94 174.56 2i96 n THR 121 N 3.13 0.00 -3.66 2.92 -1.04 -1.26 -5.06 114.28 109.32 2i96 n THR 121 Ca 0.10 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.87 2i96 n THR 121 Cb 0.34 -0.99 0.04 0.00 -1.82 0.00 0.00 70.33 67.90 2i96 n THR 121 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2i96 n THR 122 N -2.73 -5.45 -3.70 12.58 -1.04 -1.26 -4.97 114.28 107.72 2i96 n THR 122 Ca 0.00 -0.77 -0.35 0.00 -2.04 0.00 0.00 64.05 60.89 2i96 n THR 122 Cb 0.48 -4.24 -0.08 0.00 -1.82 0.00 0.00 70.33 64.67 2i96 n THR 122 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2i96 s ILE 123 N -3.59 5.39 -0.72 12.58 -1.09 -1.26 -4.99 121.20 127.51 2i96 s ILE 123 Ca 0.22 0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 2i96 s ILE 123 Cb -0.06 -3.49 -0.14 0.00 -1.58 0.00 0.00 42.46 37.18 2i96 s ILE 123 CO 0.83 0.42 2.54 0.47 -1.23 0.00 0.00 174.94 177.96 2i96 n ASP 124 N 3.66 1.35 -2.81 3.58 9.92 -1.26 -3.73 116.55 127.25 2i96 n ASP 124 Ca -0.15 -0.14 -0.00 0.00 -0.53 0.00 0.00 54.79 53.96 2i96 n ASP 124 Cb 0.52 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 2i96 n ASP 124 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2i96 n SER 125 N 13.06 -7.78 0.00 -2.24 7.64 -1.26 -4.90 113.62 118.14 2i96 n SER 125 Ca 0.51 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.61 2i96 n SER 125 Cb 0.29 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 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 0.78 0.00 -3.66 6.43 2.88 -1.24 -4.89 113.62 113.92 2i96 n SER 126 Ca 0.00 0.92 -0.10 0.00 -1.33 0.00 0.00 58.87 58.36 2i96 n SER 126 Cb 0.11 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 2i96 n SER 126 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2i96 s SER 127 N -2.80 -0.34 0.00 -3.46 1.04 -1.26 -5.14 113.70 101.75 2i96 s SER 127 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2i96 s SER 127 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2i96 s SER 127 CO 0.00 -1.04 0.39 -1.54 0.98 0.00 0.00 173.24 172.03