#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 3.61 -0.91 3.04 0.00 -1.26 -5.04 120.51 119.96 2i96 n ALA 22 Ca 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 53.44 49.15 2i96 n ALA 22 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.61 0.00 -0.34 0.00 2.13 -1.26 -0.15 120.64 121.63 2i96 n GLU 23 Ca 0.28 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.19 2i96 n GLU 23 Cb 0.46 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.43 2i96 n GLU 23 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2i96 n GLN 24 N 0.00 2.94 -0.94 5.31 7.27 -1.26 -4.92 117.38 125.78 2i96 n GLN 24 Ca 0.00 -2.48 0.00 0.00 0.07 0.00 0.00 57.00 54.59 2i96 n GLN 24 Cb 0.00 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.13 2i96 n GLN 24 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2i96 n SER 25 N 1.05 -2.55 -0.80 1.69 2.88 0.78 -4.72 113.62 111.95 2i96 n SER 25 Ca 0.20 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.75 2i96 n SER 25 Cb 0.60 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2i96 n SER 25 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2i96 n ASP 26 N -0.21 0.25 0.00 -3.46 2.03 -1.25 -5.00 116.55 108.90 2i96 n ASP 26 Ca 0.00 -1.93 0.00 0.00 0.52 0.00 0.00 54.79 53.38 2i96 n ASP 26 Cb 0.11 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2i96 n GLU 27 N 0.14 0.00 -3.59 -0.67 4.71 -1.25 -4.78 120.64 115.19 2i96 n GLU 27 Ca 0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 2i96 n GLU 27 Cb 0.81 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 31.19 2i96 n GLU 27 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2i96 s ALA 28 N -0.37 3.73 -0.15 0.62 0.00 -1.26 -4.52 121.76 119.80 2i96 s ALA 28 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2i96 s ALA 28 Cb 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 2i96 s ALA 28 CO 0.00 0.61 2.04 0.08 0.00 0.00 0.00 175.76 178.49 2i96 s VAL 29 N -1.62 3.14 0.10 0.00 1.01 -1.26 -4.88 120.40 116.88 2i96 s VAL 29 Ca 0.40 0.15 -0.34 0.00 0.00 0.00 0.00 61.98 62.19 2i96 s VAL 29 Cb -0.12 -3.15 -0.14 0.00 0.00 0.00 0.00 36.38 32.97 2i96 s VAL 29 CO 0.22 -0.07 1.62 0.29 0.00 0.00 0.00 175.10 177.16 2i96 n LYS 30 N 8.24 2.07 -3.81 2.72 5.02 -1.26 -4.64 118.16 126.50 2i96 n LYS 30 Ca 0.25 0.75 -0.36 0.00 -2.02 0.00 0.00 58.31 56.93 2i96 n LYS 30 Cb 0.44 -2.52 -0.06 0.00 -0.02 0.00 0.00 35.03 32.87 2i96 n LYS 30 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2i96 s TYR 31 N 1.55 3.61 0.00 2.13 2.02 -1.26 -1.19 117.35 124.21 2i96 s TYR 31 Ca 0.82 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 2i96 s TYR 31 Cb -0.71 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2i96 s TYR 31 CO 0.42 0.69 0.00 0.66 -1.57 0.00 0.00 175.55 175.75 2i96 n TYR 32 N 1.65 -0.77 -4.27 2.71 4.02 -0.61 -4.82 117.16 115.06 2i96 n TYR 32 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.43 2i96 n TYR 32 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.19 3.46 0.26 -0.72 -4.23 -1.26 0.01 115.64 113.36 2i96 s THR 33 Ca 0.00 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 2i96 s THR 33 Cb 0.00 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.50 2i96 s THR 33 CO 0.00 0.17 1.94 0.25 -0.54 0.00 0.00 174.62 176.44 2i96 h LEU 34 N 3.78 1.09 -0.83 4.79 6.46 -1.97 -2.98 115.31 125.66 2i96 h LEU 34 Ca -0.49 -0.03 0.20 0.00 -0.12 0.00 0.00 57.88 57.44 2i96 h LEU 34 Cb 1.17 -0.27 -0.14 0.00 -0.73 0.00 0.00 40.66 40.68 2i96 h LEU 34 CO 0.53 0.80 0.05 -0.08 -0.62 0.00 0.00 178.44 179.11 2i96 h GLU 35 N 1.29 0.10 0.00 1.25 4.81 -1.95 -1.12 114.58 118.96 2i96 h GLU 35 Ca 0.35 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.37 2i96 h GLU 35 Cb -0.14 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 2i96 h GLU 35 CO -0.07 0.07 -1.02 1.05 -0.73 0.00 0.00 179.01 178.31 2i96 h GLU 36 N 0.11 0.00 0.00 1.92 4.11 -1.94 -3.22 114.58 115.56 2i96 h GLU 36 Ca 0.47 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.86 2i96 h GLU 36 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2i96 h GLU 36 CO -0.72 0.82 -0.21 0.82 0.07 0.00 0.00 179.01 179.80 2i96 h ILE 37 N 0.00 0.49 0.00 -1.06 2.04 -1.16 -0.19 117.51 117.62 2i96 h ILE 37 Ca -0.05 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 2i96 h ILE 37 Cb 1.73 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.60 2i96 h ILE 37 CO 0.11 0.20 -0.04 1.56 0.00 0.00 0.00 178.15 179.99 2i96 h GLN 38 N 0.00 0.00 0.00 2.37 1.08 -1.32 -1.84 115.11 115.40 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 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2i96 h GLN 38 CO 0.03 0.04 -1.20 1.17 -0.95 0.00 0.00 178.83 177.91 2i96 n LYS 39 N -3.34 0.23 -1.61 1.46 3.00 -0.14 -4.23 118.16 113.54 2i96 n LYS 39 Ca -0.02 -0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 57.91 2i96 n LYS 39 Cb 0.17 -1.53 0.06 0.00 0.00 0.00 0.00 35.03 33.73 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 -1.80 3.12 -0.63 5.64 8.25 -0.69 -4.51 115.22 124.59 2i96 n HIS 40 Ca 0.02 -2.78 0.07 0.00 -0.26 0.00 0.00 57.72 54.77 2i96 n HIS 40 Cb 0.41 -1.15 0.19 0.00 1.12 0.00 0.00 29.99 30.56 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 -0.80 3.23 -3.91 0.41 6.94 -1.19 -0.78 115.26 119.17 2i96 n ASN 41 Ca 0.57 -2.58 -0.17 0.00 -0.02 0.00 0.00 54.58 52.38 2i96 n ASN 41 Cb 0.64 -0.38 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 2i96 n ASN 41 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 2i96 s HIS 42 N -2.04 1.53 0.09 -2.53 -3.43 -0.88 -4.71 115.29 103.33 2i96 s HIS 42 Ca 0.31 -1.43 -0.17 0.00 -0.80 0.00 0.00 55.06 52.97 2i96 s HIS 42 Cb 0.23 -0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 30.58 2i96 s HIS 42 CO 0.10 -0.62 1.05 0.43 -2.00 0.00 0.00 174.74 173.71 2i96 n SER 43 N -0.90 -0.58 0.33 7.38 7.64 -1.26 -0.84 113.62 125.39 2i96 n SER 43 Ca 0.03 1.19 0.20 0.00 1.01 0.00 0.00 58.87 61.29 2i96 n SER 43 Cb 0.65 -0.23 1.07 0.00 -1.01 0.00 0.00 64.21 64.68 2i96 n SER 43 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2i96 h LYS 44 N 0.00 0.00 -1.25 1.43 1.57 -1.97 -3.37 116.57 112.98 2i96 h LYS 44 Ca 0.09 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2i96 h LYS 44 Cb 0.22 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.33 2i96 h LYS 44 CO -0.51 0.00 -0.23 -1.12 -0.57 0.00 0.00 179.45 177.02 2i96 s SER 45 N -4.99 -1.33 -0.49 0.86 0.01 -0.02 -5.10 113.70 102.64 2i96 s SER 45 Ca -0.04 1.05 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 2i96 s SER 45 Cb 0.12 2.20 0.13 0.00 0.21 0.00 0.00 66.02 68.68 2i96 s SER 45 CO 0.38 -0.25 0.29 -0.89 0.41 0.00 0.00 173.24 173.18 2i96 s THR 46 N 2.87 3.42 0.29 1.44 2.01 -1.21 -2.06 115.64 122.40 2i96 s THR 46 Ca 0.14 -2.42 0.08 0.00 0.31 0.00 0.00 61.69 59.79 2i96 s THR 46 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2i96 s THR 46 CO -0.20 -0.76 0.21 0.26 -0.69 0.00 0.00 174.62 173.43 2i96 s TRP 47 N 0.66 2.96 0.24 4.92 0.51 0.04 -2.31 118.94 125.96 2i96 s TRP 47 Ca 0.12 -0.21 -0.05 0.00 -2.12 0.00 0.00 56.10 53.84 2i96 s TRP 47 Cb -0.22 -1.54 -0.02 0.00 -0.81 0.00 0.00 33.47 30.88 2i96 s TRP 47 CO -0.04 0.40 0.29 -0.48 -0.51 0.00 0.00 176.95 176.61 2i96 s LEU 48 N -3.88 0.88 -0.11 2.99 2.34 -0.82 -0.31 118.68 119.77 2i96 s LEU 48 Ca 0.36 -1.26 0.00 0.00 0.06 0.00 0.00 54.13 53.29 2i96 s LEU 48 Cb -0.07 0.96 0.02 0.00 -0.56 0.00 0.00 46.19 46.55 2i96 s LEU 48 CO 0.25 -1.00 -0.10 -0.63 -1.06 0.00 0.00 176.35 173.82 2i96 s ILE 49 N -3.98 1.15 -0.43 1.48 1.01 0.70 -0.30 121.20 120.82 2i96 s ILE 49 Ca 0.33 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 2i96 s ILE 49 Cb 0.03 -1.12 0.11 0.00 0.01 0.00 0.00 42.46 41.50 2i96 s ILE 49 CO 0.13 0.38 0.24 -0.76 0.00 0.00 0.00 174.94 174.92 2i96 s LEU 50 N 1.48 5.32 0.00 2.97 1.43 -0.71 -2.50 118.68 126.67 2i96 s LEU 50 Ca 0.01 -2.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 2i96 s LEU 50 Cb -0.13 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2i96 s LEU 50 CO -0.06 -0.56 0.00 1.41 0.23 0.00 0.00 176.35 177.37 2i96 n HIS 51 N 4.58 0.00 0.00 0.29 8.25 -1.26 -2.60 115.22 124.48 2i96 n HIS 51 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2i96 n HIS 51 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -2.96 4.41 8.25 -1.26 -5.05 115.22 118.60 2i96 n HIS 52 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2i96 n HIS 52 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.14 4.50 -0.16 -0.41 -0.14 -1.07 -3.06 119.74 119.26 2i96 s LYS 53 Ca 0.00 1.07 -0.18 0.00 -1.36 0.00 0.00 55.97 55.51 2i96 s LYS 53 Cb 0.00 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 2i96 s LYS 53 CO 0.00 0.21 0.47 0.54 -0.76 0.00 0.00 175.35 175.81 2i96 s VAL 54 N 0.21 5.17 0.37 3.17 0.11 -0.58 -1.73 120.40 127.11 2i96 s VAL 54 Ca 0.40 0.91 0.08 0.00 -2.93 0.00 0.00 61.98 60.43 2i96 s VAL 54 Cb -0.20 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2i96 s VAL 54 CO 0.23 0.27 0.24 -0.31 -3.33 0.00 0.00 175.10 172.19 2i96 s TYR 55 N 1.02 2.73 0.07 1.54 1.51 0.59 -2.17 117.35 122.64 2i96 s TYR 55 Ca 0.24 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2i96 s TYR 55 Cb -0.15 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2i96 s TYR 55 CO 0.09 0.17 -0.08 0.34 -1.11 0.00 0.00 175.55 174.96 2i96 s ASP 56 N -3.96 1.06 -0.03 2.29 2.15 -0.74 -1.95 116.67 115.50 2i96 s ASP 56 Ca 0.42 -0.77 -0.03 0.00 0.43 0.00 0.00 52.55 52.60 2i96 s ASP 56 Cb -0.02 0.05 -0.02 0.00 -0.30 0.00 0.00 42.92 42.63 2i96 s ASP 56 CO 0.25 -0.31 -0.07 0.18 -0.17 0.00 0.00 175.17 175.04 2i96 n LEU 57 N 0.74 0.66 0.00 -1.34 4.77 -0.98 -4.79 117.00 116.06 2i96 n LEU 57 Ca -0.18 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2i96 n LEU 57 Cb 0.57 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2i96 n LEU 57 CO 0.25 -0.11 0.00 0.35 -1.33 0.00 0.00 177.39 176.55 2i96 n THR 58 N -3.38 0.00 -0.13 -5.08 -2.24 -1.26 -0.20 114.28 101.99 2i96 n THR 58 Ca -0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2i96 n THR 58 Cb 0.44 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.82 0.00 -0.78 2.10 -1.99 -3.23 116.57 113.49 2i96 h LYS 59 Ca 0.00 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2i96 h LYS 59 Cb 0.00 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.20 2i96 h LYS 59 CO 0.00 0.72 -0.01 0.35 -2.00 0.00 0.00 179.45 178.51 2i96 h PHE 60 N 0.80 0.00 -0.15 0.07 3.57 -0.96 -2.92 116.94 117.35 2i96 h PHE 60 Ca 0.18 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2i96 h PHE 60 Cb 0.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2i96 h PHE 60 CO 0.02 0.01 0.27 -0.07 -2.23 0.00 0.00 178.31 176.30 2i96 h LEU 61 N 0.00 0.00 0.00 0.59 3.38 -1.77 0.18 115.31 117.69 2i96 h LEU 61 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i96 h LEU 61 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2i96 h LEU 61 CO 0.00 0.00 -0.72 -0.33 0.09 0.00 0.00 178.44 177.48 2i96 h GLU 62 N 0.00 0.00 0.00 1.13 4.39 -1.80 -3.39 114.58 114.91 2i96 h GLU 62 Ca 0.07 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2i96 h GLU 62 Cb 0.61 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2i96 h GLU 62 CO -0.00 0.00 -1.35 0.39 -1.16 0.00 0.00 179.01 176.89 2i96 n GLU 63 N -2.54 2.10 -2.05 2.33 1.02 0.52 -5.00 120.64 117.03 2i96 n GLU 63 Ca 0.02 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2i96 n GLU 63 Cb 0.51 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 2i96 n GLU 63 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2i96 s HIS 64 N -2.23 2.67 0.24 -0.32 2.46 -0.41 -4.91 115.29 112.79 2i96 s HIS 64 Ca -0.03 0.56 -0.05 0.00 0.47 0.00 0.00 55.06 56.01 2i96 s HIS 64 Cb 0.02 -3.84 0.46 0.00 -0.13 0.00 0.00 32.58 29.09 2i96 s HIS 64 CO 0.24 -3.25 1.71 -1.35 -2.47 0.00 0.00 174.74 169.62 2i96 h PRO 65 N 7.94 0.34 -1.97 2.88 0.11 -1.94 -3.11 132.00 136.26 2i96 h PRO 65 Ca -0.41 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 2i96 h PRO 65 Cb 1.19 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 2i96 h PRO 65 CO 0.91 0.22 0.20 0.41 -0.21 0.00 0.00 178.00 179.54 2i96 n GLY 66 N -1.34 3.98 7.00 -0.55 0.00 -1.26 -4.97 105.19 108.05 2i96 n GLY 66 Ca 0.14 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2i96 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 67 N 1.24 -0.51 0.09 -0.02 0.00 -1.18 -4.69 105.19 100.12 2i96 n GLY 67 Ca 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2i96 n GLY 67 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2i96 n GLU 68 N -0.64 0.00 0.25 1.61 -0.00 -1.26 -4.74 120.64 115.87 2i96 n GLU 68 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.26 2i96 n GLU 68 Cb 0.00 -0.83 0.67 0.00 -0.00 0.00 0.00 31.44 31.28 2i96 n GLU 68 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2i96 h GLU 69 N 0.00 0.00 -0.01 3.44 4.11 -1.93 -0.79 114.58 119.40 2i96 h GLU 69 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2i96 h GLU 69 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2i96 h GLU 69 CO 0.00 0.12 -0.13 1.33 0.07 0.00 0.00 179.01 180.40 2i96 n VAL 70 N -3.97 0.00 -0.04 -1.06 0.24 -1.26 -3.57 118.33 108.67 2i96 n VAL 70 Ca -0.02 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2i96 n VAL 70 Cb 0.21 0.22 -0.09 0.00 -1.47 0.00 0.00 33.84 32.71 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 1.24 0.27 -2.17 1.34 -0.00 -1.44 -3.34 115.31 111.21 2i96 h LEU 71 Ca 0.00 -0.56 0.06 0.00 -0.00 0.00 0.00 57.88 57.38 2i96 h LEU 71 Cb 0.43 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2i96 h LEU 71 CO 0.00 0.79 0.27 0.08 -0.00 0.00 0.00 178.44 179.58 2i96 h ARG 72 N -0.23 0.00 -0.30 1.13 0.11 -1.66 0.17 114.38 113.60 2i96 h ARG 72 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2i96 h ARG 72 Cb 0.74 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 2i96 h ARG 72 CO 0.04 0.00 -0.20 1.49 0.10 0.00 0.00 179.97 181.40 2i96 h GLU 73 N 0.00 0.54 0.00 0.08 4.57 -1.77 -3.13 114.58 114.87 2i96 h GLU 73 Ca 0.10 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2i96 h GLU 73 Cb 0.64 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2i96 h GLU 73 CO -0.00 0.71 -1.25 1.04 -1.18 0.00 0.00 179.01 178.33 2i96 n GLN 74 N -4.15 1.11 -2.65 1.92 1.13 0.37 -4.97 117.38 110.15 2i96 n GLN 74 Ca 0.00 -0.07 -0.36 0.00 -1.94 0.00 0.00 57.00 54.63 2i96 n GLN 74 Cb 0.38 -1.32 -0.05 0.00 0.11 0.00 0.00 30.24 29.36 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 -2.83 3.11 0.00 -1.58 0.00 0.05 -3.77 121.76 116.75 2i96 s ALA 75 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2i96 s ALA 75 Cb 0.11 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2i96 s ALA 75 CO 0.67 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.78 2i96 n GLY 76 N 0.25 0.61 0.00 0.00 0.00 0.58 -4.64 105.19 101.99 2i96 n GLY 76 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.41 -0.95 3.65 -0.02 0.00 -1.25 -3.22 105.19 101.99 2i96 n GLY 77 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.00 6.48 0.00 1.61 1.01 -1.26 -0.22 116.67 120.29 2i96 s ASP 78 Ca 0.00 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.49 2i96 s ASP 78 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2i96 s ASP 78 CO 0.00 -1.09 0.58 0.00 0.21 0.00 0.00 175.17 174.87 2i96 n ALA 79 N 7.78 1.93 0.23 5.23 0.00 -1.04 -4.81 120.51 129.82 2i96 n ALA 79 Ca 0.19 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 53.08 2i96 n ALA 79 Cb 0.43 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.00 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 1.21 -0.02 0.00 5.66 -1.25 -2.90 114.28 116.85 2i96 n THR 80 Ca 0.00 0.30 -0.15 0.00 -3.05 0.00 0.00 64.05 61.16 2i96 n THR 80 Cb 0.14 -1.21 -0.09 0.00 -1.55 0.00 0.00 70.33 67.61 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 -0.54 0.00 1.09 4.39 -1.94 -2.08 114.58 115.50 2i96 h GLU 81 Ca 0.00 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2i96 h GLU 81 Cb 0.07 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2i96 h GLU 81 CO 0.00 -0.36 -0.11 -2.95 -1.16 0.00 0.00 179.01 174.43 2i96 h ASN 82 N -0.56 0.00 1.15 1.42 -1.07 -1.88 0.82 115.58 115.46 2i96 h ASN 82 Ca 0.04 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.29 2i96 h ASN 82 Cb 0.67 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.90 2i96 h ASN 82 CO -0.45 0.11 -0.58 0.15 0.07 0.00 0.00 177.43 176.74 2i96 h PHE 83 N 0.00 0.00 0.00 4.14 3.57 -1.58 -3.10 116.94 119.97 2i96 h PHE 83 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2i96 h PHE 83 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2i96 h PHE 83 CO 0.00 0.58 -0.09 0.39 -2.23 0.00 0.00 178.31 176.95 2i96 n GLU 84 N -3.38 6.36 0.00 1.11 1.02 -0.88 -4.78 120.64 120.09 2i96 n GLU 84 Ca 0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2i96 n GLU 84 Cb 0.70 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 2i96 n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2i96 n ASP 85 N -1.05 0.00 0.00 1.62 2.03 0.23 -5.03 116.55 114.35 2i96 n ASP 85 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2i96 n ASP 85 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 2i96 n ASP 85 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2i96 n VAL 86 N -0.42 0.00 -1.11 5.18 0.31 -1.25 -4.98 118.33 116.06 2i96 n VAL 86 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2i96 n VAL 86 Cb 0.00 -0.13 -0.05 0.00 -0.91 0.00 0.00 33.84 32.75 2i96 n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i96 n GLY 87 N 0.30 3.74 3.31 2.92 0.00 -1.17 -4.58 105.19 109.71 2i96 n GLY 87 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 44.76 2i96 n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i96 s HIS 88 N 2.25 -0.50 0.19 1.61 3.76 -1.21 -4.63 115.29 116.76 2i96 s HIS 88 Ca 0.62 0.82 -0.01 0.00 -0.15 0.00 0.00 55.06 56.34 2i96 s HIS 88 Cb 0.18 0.28 0.04 0.00 1.11 0.00 0.00 32.58 34.20 2i96 s HIS 88 CO -0.04 -0.25 0.27 -1.13 -0.85 0.00 0.00 174.74 172.73 2i96 n SER 89 N 4.93 0.26 0.26 1.40 3.41 -1.26 -4.93 113.62 117.68 2i96 n SER 89 Ca -0.08 -1.24 0.10 0.00 -0.26 0.00 0.00 58.87 57.39 2i96 n SER 89 Cb 0.53 -0.18 0.69 0.00 -0.26 0.00 0.00 64.21 64.99 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 -0.62 0.78 -0.20 6.66 2.02 -1.99 -3.08 112.91 116.48 2i96 h THR 90 Ca -0.09 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.72 2i96 h THR 90 Cb 0.30 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 2i96 h THR 90 CO 0.08 0.11 -0.47 -0.78 0.37 0.00 0.00 175.52 174.83 2i96 h ASP 91 N 0.00 -1.52 -0.01 4.18 1.82 -2.00 -1.21 116.42 117.69 2i96 h ASP 91 Ca -0.00 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 2i96 h ASP 91 Cb 0.24 0.62 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2i96 h ASP 91 CO 0.01 -0.44 0.00 0.00 -1.61 0.00 0.00 179.24 177.21 2i96 n ALA 92 N -2.99 2.58 1.02 -0.78 0.00 -1.16 -0.21 120.51 118.97 2i96 n ALA 92 Ca -0.04 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2i96 n ALA 92 Cb 0.37 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.62 2i96 n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i96 n ARG 93 N -0.68 0.29 -0.00 0.00 1.74 -0.48 -4.07 116.66 113.47 2i96 n ARG 93 Ca 0.11 -0.22 -0.01 0.00 -0.77 0.00 0.00 57.85 56.97 2i96 n ARG 93 Cb 0.07 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2i96 n ARG 93 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2i96 n GLU 94 N -1.16 0.02 0.15 5.56 4.07 -0.63 -4.76 120.64 123.88 2i96 n GLU 94 Ca 0.06 0.01 -0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2i96 n GLU 94 Cb 0.36 -0.91 0.20 0.00 -0.06 0.00 0.00 31.44 31.03 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 -0.01 0.00 0.00 5.31 4.05 -0.80 -3.27 114.93 120.21 2i96 h MET 95 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2i96 h MET 95 Cb 1.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 2i96 h MET 95 CO -0.01 0.57 0.00 -1.13 0.23 0.00 0.00 176.91 176.58 2i96 n SER 96 N -3.79 0.00 0.27 1.39 3.41 -1.26 -3.79 113.62 109.85 2i96 n SER 96 Ca -0.01 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2i96 n SER 96 Cb 0.59 -0.44 0.75 0.00 -0.26 0.00 0.00 64.21 64.85 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 0.00 -0.02 4.33 1.57 -1.91 0.06 116.57 120.61 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 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2i96 h LYS 97 CO 0.00 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.23 2i96 n THR 98 N -3.63 0.02 0.21 -0.16 -2.24 -1.25 -2.87 114.28 104.35 2i96 n THR 98 Ca -0.02 -0.04 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2i96 n THR 98 Cb 0.22 -0.22 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.68 0.02 -2.63 4.78 3.72 0.01 -4.96 117.46 117.72 2i96 n PHE 99 Ca 0.14 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 2i96 n PHE 99 Cb 0.09 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.49 4.08 -0.08 4.37 1.01 -1.14 -1.79 121.20 127.15 2i96 s ILE 100 Ca 0.07 0.78 0.15 0.00 0.00 0.00 0.00 60.65 61.64 2i96 s ILE 100 Cb 0.05 -4.70 -0.15 0.00 0.01 0.00 0.00 42.46 37.67 2i96 s ILE 100 CO 0.07 -1.31 0.89 0.16 0.00 0.00 0.00 174.94 174.75 2i96 h ILE 101 N 6.13 0.73 0.00 2.92 3.07 -1.78 -3.50 117.51 125.08 2i96 h ILE 101 Ca -0.25 -2.33 0.00 0.00 1.55 0.00 0.00 64.86 63.83 2i96 h ILE 101 Cb 1.06 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 39.86 2i96 h ILE 101 CO 1.17 0.42 0.00 0.61 -1.05 0.00 0.00 178.15 179.30 2i96 n GLY 102 N 1.42 -0.73 3.20 0.16 0.00 -1.22 -4.63 105.19 103.39 2i96 n GLY 102 Ca -0.09 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 0.66 -2.57 1.61 1.02 -0.33 -1.53 120.64 119.50 2i96 n GLU 103 Ca 0.00 -3.28 -0.25 0.00 -0.02 0.00 0.00 57.16 53.61 2i96 n GLU 103 Cb 0.00 1.57 0.03 0.00 -0.02 0.00 0.00 31.44 33.01 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 3.34 0.65 -4.62 1.43 -1.17 -1.57 118.68 116.74 2i96 s LEU 104 Ca 0.15 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.63 2i96 s LEU 104 Cb 0.01 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2i96 s LEU 104 CO 0.11 -0.98 0.84 1.57 0.23 0.00 0.00 176.35 178.11 2i96 n HIS 105 N -2.44 0.31 0.00 0.29 -0.00 0.10 -4.38 115.22 109.10 2i96 n HIS 105 Ca 0.04 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 2i96 n HIS 105 Cb 0.58 -2.06 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 2i96 n HIS 105 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2i96 n PRO 106 N -1.10 0.00 0.00 1.57 -0.02 -1.26 -1.31 135.00 132.88 2i96 n PRO 106 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2i96 n PRO 106 Cb 0.48 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 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 2.49 0.00 -0.06 2.55 2.03 -1.26 -4.84 116.55 117.46 2i96 n ASP 107 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2i96 n ASP 107 Cb 0.00 0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.62 1.88 -0.03 1.67 -0.08 -0.43 -3.77 116.55 114.17 2i96 n ASP 108 Ca 0.00 0.07 -0.09 0.00 -1.51 0.00 0.00 54.79 53.26 2i96 n ASP 108 Cb 0.00 -0.54 -0.02 0.00 2.34 0.00 0.00 41.12 42.90 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2i96 h ARG 109 N 0.04 -0.26 0.18 -0.67 2.43 -1.47 -2.34 114.38 112.29 2i96 h ARG 109 Ca -0.49 0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.39 2i96 h ARG 109 Cb 1.99 0.06 0.02 0.00 -0.42 0.00 0.00 29.97 31.62 2i96 h ARG 109 CO 0.01 -0.17 -1.43 -1.00 -1.51 0.00 0.00 179.97 175.86 2i96 h PRO 110 N -0.27 0.39 0.00 0.20 0.13 -1.83 -3.47 132.00 127.15 2i96 h PRO 110 Ca 0.13 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2i96 h PRO 110 Cb 0.46 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2i96 h PRO 110 CO -0.36 1.30 0.00 1.17 -0.23 0.00 0.00 178.00 179.88 2i96 n LYS 111 N -3.60 0.00 -1.99 0.86 4.81 -0.88 -4.67 118.16 112.68 2i96 n LYS 111 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2i96 n LYS 111 Cb 1.07 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 36.08 2i96 n LYS 111 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2i96 n LEU 112 N 0.00 0.00 0.00 3.14 7.94 -1.26 -4.92 117.00 121.89 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 0.00 0.59 -1.11 0.00 0.00 177.39 176.87 2i96 n ASN 113 N -2.08 -5.49 -4.74 1.96 5.03 -1.26 -4.93 115.26 103.75 2i96 n ASN 113 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 2i96 n ASN 113 Cb 0.00 -3.02 -0.08 0.00 -1.02 0.00 0.00 39.78 35.66 2i96 n ASN 113 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2i96 s LYS 114 N -1.68 3.99 -0.02 3.52 2.20 -1.26 -5.05 119.74 121.44 2i96 s LYS 114 Ca 0.00 -0.23 -0.35 0.00 -0.36 0.00 0.00 55.97 55.03 2i96 s LYS 114 Cb 0.00 -3.33 -0.13 0.00 -1.51 0.00 0.00 37.83 32.86 2i96 s LYS 114 CO 0.00 0.39 1.74 -2.30 -0.36 0.00 0.00 175.35 174.82 2i96 n PRO 115 N 3.22 2.02 -0.97 4.03 -0.02 -1.26 -4.94 135.00 137.07 2i96 n PRO 115 Ca -0.17 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2i96 n PRO 115 Cb 0.53 -2.53 0.18 0.00 -0.02 0.00 0.00 33.50 31.66 2i96 n PRO 115 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2i96 s PRO 116 N 2.82 0.36 0.04 0.52 0.02 -1.26 -4.97 135.00 132.53 2i96 s PRO 116 Ca 0.88 0.78 -0.19 0.00 0.02 0.00 0.00 61.00 62.49 2i96 s PRO 116 Cb -0.74 -1.71 -0.16 0.00 0.02 0.00 0.00 34.50 31.92 2i96 s PRO 116 CO 0.48 -2.84 1.29 1.49 -0.33 0.00 0.00 177.00 177.09 2i96 h GLU 117 N -1.99 0.42 -7.30 5.54 4.81 -1.96 -3.47 114.58 110.63 2i96 h GLU 117 Ca -0.54 -0.27 -0.51 0.00 -0.13 0.00 0.00 59.36 57.91 2i96 h GLU 117 Cb 1.31 0.03 0.15 0.00 0.63 0.00 0.00 28.75 30.88 2i96 h GLU 117 CO 0.53 0.87 0.28 0.95 -0.73 0.00 0.00 179.01 180.91 2i96 s THR 118 N -4.02 2.88 -0.63 0.32 -4.23 -1.26 -4.85 115.64 103.86 2i96 s THR 118 Ca -0.14 0.29 -0.26 0.00 -1.18 0.00 0.00 61.69 60.40 2i96 s THR 118 Cb 0.05 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 2i96 s THR 118 CO 0.78 -0.38 2.01 -0.22 -0.54 0.00 0.00 174.62 176.28 2i96 s LEU 119 N -6.17 3.28 -0.48 4.79 2.96 -1.26 -3.94 118.68 117.86 2i96 s LEU 119 Ca 0.63 0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 54.70 2i96 s LEU 119 Cb -0.19 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.00 2i96 s LEU 119 CO 0.57 -2.60 0.63 -0.38 -1.32 0.00 0.00 176.35 173.25 2i96 n ILE 120 N 7.53 -8.97 -4.89 6.68 2.08 -1.26 -4.71 119.36 115.82 2i96 n ILE 120 Ca 0.27 0.55 0.00 0.00 0.56 0.00 0.00 62.75 64.14 2i96 n ILE 120 Cb 0.52 -6.18 0.00 0.00 -0.75 0.00 0.00 39.64 33.22 2i96 n ILE 120 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2i96 n THR 121 N -0.50 0.00 -0.43 1.39 -2.24 -1.25 -4.76 114.28 106.49 2i96 n THR 121 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2i96 n THR 121 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2i96 n THR 121 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2i96 n THR 122 N 0.00 0.00 -1.66 4.28 -1.04 -1.26 -4.72 114.28 109.88 2i96 n THR 122 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2i96 n THR 122 Cb 0.00 0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 69.26 2i96 n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2i96 n ILE 123 N 0.00 0.00 0.00 12.58 3.06 -1.26 -5.05 119.36 128.69 2i96 n ILE 123 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2i96 n ILE 123 Cb 0.03 0.18 0.00 0.00 0.54 0.00 0.00 39.64 40.39 2i96 n ILE 123 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2i96 n ASP 124 N 0.00 0.00 -1.76 9.51 8.00 -1.26 -4.75 116.55 126.29 2i96 n ASP 124 Ca -0.10 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.40 2i96 n ASP 124 Cb 0.40 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.51 2i96 n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2i96 n SER 125 N 1.33 -0.43 0.00 -2.24 2.88 -1.26 -4.91 113.62 108.99 2i96 n SER 125 Ca 0.00 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 2i96 n SER 125 Cb 0.00 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 2i96 n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2i96 n SER 126 N -0.61 0.00 0.00 -3.46 2.88 -1.26 -4.97 113.62 106.20 2i96 n SER 126 Ca 0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2i96 n SER 126 Cb 0.17 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2i96 n SER 126 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2i96 n SER 127 N -0.98 0.00 0.00 -3.46 7.64 -1.26 -5.23 113.62 110.33 2i96 n SER 127 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2i96 n SER 127 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2i96 n SER 127 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79