#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 2.69 -2.90 -5.12 0.00 -1.26 -5.06 120.51 108.86 2i96 n ALA 22 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.22 2i96 n ALA 22 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.82 0.00 0.03 0.00 0.00 -1.26 -5.12 120.64 113.46 2i96 n GLU 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2i96 n GLU 23 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.27 2i96 n GLU 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i96 n GLN 24 N 0.00 0.00 -1.61 3.44 10.64 -1.26 -5.16 117.38 123.42 2i96 n GLN 24 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.10 2i96 n GLN 24 Cb 0.00 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.41 2i96 n GLN 24 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2i96 n SER 25 N -2.48 0.69 0.00 2.61 7.64 -1.26 -5.06 113.62 115.76 2i96 n SER 25 Ca 0.00 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2i96 n SER 25 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2i96 n SER 25 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2i96 n ASP 26 N -2.80 0.00 -4.35 6.43 2.03 -1.26 -4.75 116.55 111.85 2i96 n ASP 26 Ca 0.06 0.90 -0.28 0.00 0.52 0.00 0.00 54.79 55.99 2i96 n ASP 26 Cb 0.21 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.07 2i96 n ASP 26 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2i96 s GLU 27 N -2.62 1.50 0.13 -0.67 2.12 -1.26 -5.14 118.70 112.75 2i96 s GLU 27 Ca 0.00 -1.20 0.04 0.00 0.36 0.00 0.00 54.97 54.17 2i96 s GLU 27 Cb 0.00 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 2i96 s GLU 27 CO 0.00 0.45 0.10 0.00 -0.54 0.00 0.00 175.26 175.27 2i96 s ALA 28 N -0.96 3.53 -1.11 6.30 0.00 -1.26 -5.04 121.76 123.22 2i96 s ALA 28 Ca 0.12 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 2i96 s ALA 28 Cb -0.10 -1.37 0.13 0.00 0.00 0.00 0.00 23.12 21.78 2i96 s ALA 28 CO 0.04 0.62 1.39 0.08 0.00 0.00 0.00 175.76 177.88 2i96 s VAL 29 N -1.57 4.67 0.05 0.00 1.01 -1.26 -4.99 120.40 118.31 2i96 s VAL 29 Ca 0.30 -1.98 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 2i96 s VAL 29 Cb -0.11 -4.93 -0.07 0.00 0.00 0.00 0.00 36.38 31.26 2i96 s VAL 29 CO 0.22 -1.69 1.53 -0.75 0.00 0.00 0.00 175.10 174.42 2i96 s LYS 30 N 2.72 4.24 0.27 2.72 2.36 -1.26 -4.82 119.74 125.97 2i96 s LYS 30 Ca 0.42 2.18 0.06 0.00 -2.55 0.00 0.00 55.97 56.07 2i96 s LYS 30 Cb -0.02 -3.54 -0.02 0.00 -1.05 0.00 0.00 37.83 33.20 2i96 s LYS 30 CO -0.03 -0.65 0.39 0.71 1.55 0.00 0.00 175.35 177.32 2i96 s TYR 31 N 2.36 3.32 0.00 4.03 2.02 -1.26 -0.74 117.35 127.08 2i96 s TYR 31 Ca 0.69 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 2i96 s TYR 31 Cb -0.37 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2i96 s TYR 31 CO 0.30 0.30 0.00 0.66 -1.57 0.00 0.00 175.55 175.23 2i96 n TYR 32 N -1.47 0.00 -4.51 2.71 4.02 0.07 -4.86 117.16 113.11 2i96 n TYR 32 Ca -0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.55 2i96 n TYR 32 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.64 1.85 0.14 -0.72 -4.23 -1.26 -0.17 115.64 110.61 2i96 s THR 33 Ca 0.00 -1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 2i96 s THR 33 Cb 0.00 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.07 2i96 s THR 33 CO 0.00 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.06 2i96 h LEU 34 N 1.55 0.02 -0.64 4.79 5.85 -1.96 -2.93 115.31 121.99 2i96 h LEU 34 Ca -0.43 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.46 2i96 h LEU 34 Cb 1.26 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 2i96 h LEU 34 CO 0.76 0.04 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.64 2i96 h GLU 35 N 0.16 -0.02 -0.07 1.25 4.81 -1.95 0.32 114.58 119.08 2i96 h GLU 35 Ca 0.13 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2i96 h GLU 35 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2i96 h GLU 35 CO -0.17 -0.01 0.03 0.93 -0.73 0.00 0.00 179.01 179.05 2i96 h GLU 36 N -0.02 0.10 0.03 1.92 4.39 -1.91 -1.16 114.58 117.94 2i96 h GLU 36 Ca 0.30 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.66 2i96 h GLU 36 Cb 0.48 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 2i96 h GLU 36 CO -0.66 0.09 -1.96 -0.89 -1.16 0.00 0.00 179.01 174.42 2i96 n ILE 37 N -4.50 1.61 -0.20 3.13 5.41 -0.26 -4.00 119.36 120.54 2i96 n ILE 37 Ca -0.02 -0.75 -0.06 0.00 1.00 0.00 0.00 62.75 62.92 2i96 n ILE 37 Cb 0.10 -1.17 0.03 0.00 -0.71 0.00 0.00 39.64 37.90 2i96 n ILE 37 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2i96 h GLN 38 N 0.02 0.77 0.00 0.38 5.75 -0.06 -2.39 115.11 119.59 2i96 h GLN 38 Ca -0.39 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2i96 h GLN 38 Cb 2.05 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 30.43 2i96 h GLN 38 CO 0.06 0.53 0.00 0.36 -2.65 0.00 0.00 178.83 177.13 2i96 n LYS 39 N -4.66 0.27 -2.21 1.69 2.85 -0.47 -3.30 118.16 112.33 2i96 n LYS 39 Ca 0.04 0.09 -0.26 0.00 -1.05 0.00 0.00 58.31 57.13 2i96 n LYS 39 Cb 0.04 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 32.93 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 -1.30 3.06 0.20 5.58 8.25 -0.90 -4.61 115.22 125.50 2i96 n HIS 40 Ca 0.10 -2.63 0.08 0.00 -0.26 0.00 0.00 57.72 55.00 2i96 n HIS 40 Cb 0.17 -0.26 0.15 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.61 2.91 -3.55 0.41 6.94 -1.21 -0.58 115.26 119.58 2i96 n ASN 41 Ca 0.42 -1.85 -0.11 0.00 -0.02 0.00 0.00 54.58 53.02 2i96 n ASN 41 Cb 0.82 -0.18 0.03 0.00 -2.36 0.00 0.00 39.78 38.08 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 0.99 -2.22 -0.04 -2.53 1.44 -0.92 -4.82 115.22 107.12 2i96 n HIS 42 Ca 0.14 -1.15 -0.13 0.00 -2.01 0.00 0.00 57.72 54.57 2i96 n HIS 42 Cb 0.47 -0.28 -0.07 0.00 0.12 0.00 0.00 29.99 30.23 2i96 n HIS 42 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2i96 h SER 43 N 0.13 -1.53 0.40 4.39 4.64 -1.98 -2.42 113.55 117.17 2i96 h SER 43 Ca -0.15 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2i96 h SER 43 Cb 0.67 0.62 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2i96 h SER 43 CO 0.23 -0.43 0.00 0.29 -0.87 0.00 0.00 176.83 176.04 2i96 n LYS 44 N -5.43 0.02 -3.61 4.77 5.02 -1.26 -4.50 118.16 113.18 2i96 n LYS 44 Ca -0.04 0.28 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 2i96 n LYS 44 Cb 0.37 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 2i96 n LYS 44 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2i96 s SER 45 N -2.95 -1.02 -0.59 4.39 0.01 -0.91 -4.98 113.70 107.66 2i96 s SER 45 Ca 0.07 1.42 -0.04 0.00 1.31 0.00 0.00 55.95 58.71 2i96 s SER 45 Cb 0.08 2.07 0.15 0.00 0.21 0.00 0.00 66.02 68.53 2i96 s SER 45 CO 0.22 -0.20 0.40 -0.89 0.41 0.00 0.00 173.24 173.18 2i96 s THR 46 N 2.64 3.73 0.35 1.44 2.01 -1.25 -2.16 115.64 122.39 2i96 s THR 46 Ca -0.06 -2.72 0.02 0.00 0.31 0.00 0.00 61.69 59.24 2i96 s THR 46 Cb -0.10 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2i96 s THR 46 CO -0.19 -0.84 0.53 0.26 -0.69 0.00 0.00 174.62 173.69 2i96 s TRP 47 N 0.23 3.36 0.38 4.92 0.52 0.25 -0.94 118.94 127.67 2i96 s TRP 47 Ca 0.15 0.16 -0.11 0.00 0.02 0.00 0.00 56.10 56.32 2i96 s TRP 47 Cb -0.21 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2i96 s TRP 47 CO -0.04 0.05 0.69 -0.48 0.02 0.00 0.00 176.95 177.20 2i96 s LEU 48 N -4.28 0.37 0.01 2.99 2.34 -1.15 -1.34 118.68 117.62 2i96 s LEU 48 Ca 0.41 -1.30 0.04 0.00 0.06 0.00 0.00 54.13 53.34 2i96 s LEU 48 Cb -0.10 2.40 -0.01 0.00 -0.56 0.00 0.00 46.19 47.92 2i96 s LEU 48 CO 0.34 -1.58 -0.11 -0.63 -1.06 0.00 0.00 176.35 173.31 2i96 s ILE 49 N -2.46 0.87 -0.50 1.48 1.01 0.78 -0.50 121.20 121.87 2i96 s ILE 49 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2i96 s ILE 49 Cb -0.04 -0.77 0.14 0.00 0.01 0.00 0.00 42.46 41.81 2i96 s ILE 49 CO 0.15 0.09 0.29 -0.76 0.00 0.00 0.00 174.94 174.71 2i96 s LEU 50 N -0.67 3.40 0.00 2.97 1.43 -0.72 -0.77 118.68 124.31 2i96 s LEU 50 Ca 0.02 -2.95 0.00 0.00 -1.03 0.00 0.00 54.13 50.17 2i96 s LEU 50 Cb -0.06 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.90 2i96 s LEU 50 CO 0.00 -0.22 0.00 1.41 0.23 0.00 0.00 176.35 177.77 2i96 n HIS 51 N 3.14 0.00 0.00 0.29 8.25 -1.26 -3.48 115.22 122.16 2i96 n HIS 51 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2i96 n HIS 51 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -3.63 4.41 8.25 -1.26 -4.95 115.22 118.04 2i96 n HIS 52 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 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 -1.05 3.87 0.06 -0.41 1.02 -1.23 -2.28 119.74 119.71 2i96 s LYS 53 Ca 0.00 0.15 -0.21 0.00 0.02 0.00 0.00 55.97 55.93 2i96 s LYS 53 Cb 0.00 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 2i96 s LYS 53 CO 0.00 0.59 0.63 0.54 -0.92 0.00 0.00 175.35 176.19 2i96 s VAL 54 N -0.62 4.74 0.45 3.17 0.11 0.25 -1.76 120.40 126.74 2i96 s VAL 54 Ca 0.19 1.35 0.05 0.00 -2.93 0.00 0.00 61.98 60.64 2i96 s VAL 54 Cb -0.14 -3.97 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2i96 s VAL 54 CO 0.08 0.48 0.07 -0.31 -3.33 0.00 0.00 175.10 172.09 2i96 s TYR 55 N -0.67 2.25 -0.02 1.54 1.51 0.34 -1.79 117.35 120.50 2i96 s TYR 55 Ca 0.32 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2i96 s TYR 55 Cb -0.20 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 2i96 s TYR 55 CO 0.20 0.25 -0.02 0.34 -1.11 0.00 0.00 175.55 175.21 2i96 s ASP 56 N -3.85 0.46 -0.01 2.29 -1.08 -0.94 -2.93 116.67 110.62 2i96 s ASP 56 Ca 0.26 -0.05 -0.02 0.00 -0.52 0.00 0.00 52.55 52.22 2i96 s ASP 56 Cb 0.05 -0.17 -0.01 0.00 -1.46 0.00 0.00 42.92 41.34 2i96 s ASP 56 CO 0.14 -0.03 -0.03 0.18 0.52 0.00 0.00 175.17 175.95 2i96 n LEU 57 N 3.63 0.25 0.00 -1.34 4.77 -0.11 -4.83 117.00 119.37 2i96 n LEU 57 Ca -0.21 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2i96 n LEU 57 Cb 0.54 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2i96 n LEU 57 CO 0.24 -0.50 0.00 0.41 -1.33 0.00 0.00 177.39 176.21 2i96 n THR 58 N -2.74 0.00 0.03 -5.08 -1.04 -1.26 -1.55 114.28 102.64 2i96 n THR 58 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2i96 n THR 58 Cb 0.05 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.47 2i96 n THR 58 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2i96 n LYS 59 N 0.00 0.62 0.00 -2.82 5.02 -1.26 -4.20 118.16 115.52 2i96 n LYS 59 Ca 0.00 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 2i96 n LYS 59 Cb 0.00 -1.79 0.37 0.00 -0.02 0.00 0.00 35.03 33.59 2i96 n LYS 59 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i96 n PHE 60 N -2.86 0.00 -0.33 2.13 7.35 -0.59 -3.62 117.46 119.53 2i96 n PHE 60 Ca -0.10 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.65 2i96 n PHE 60 Cb 0.83 -0.39 0.25 0.00 0.35 0.00 0.00 39.48 40.52 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 0.91 0.06 -2.13 3.38 -1.81 -1.36 115.31 114.36 2i96 h LEU 61 Ca 0.00 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 2i96 h LEU 61 Cb 0.21 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2i96 h LEU 61 CO 0.00 0.54 -1.19 -0.33 0.09 0.00 0.00 178.44 177.55 2i96 h GLU 62 N 1.01 0.42 0.00 1.13 5.08 -1.79 -3.34 114.58 117.09 2i96 h GLU 62 Ca 0.44 -0.59 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 2i96 h GLU 62 Cb 0.34 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2i96 h GLU 62 CO -0.19 1.25 -1.14 0.93 -1.00 0.00 0.00 179.01 178.86 2i96 h GLU 63 N 0.17 0.00 -6.42 2.33 5.08 -1.69 -3.45 114.58 110.59 2i96 h GLU 63 Ca -0.15 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.68 2i96 h GLU 63 Cb 1.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.14 2i96 h GLU 63 CO 0.21 0.52 0.88 -1.58 -1.00 0.00 0.00 179.01 178.03 2i96 s HIS 64 N -2.84 2.76 0.29 4.33 2.46 -0.55 -4.88 115.29 116.85 2i96 s HIS 64 Ca -0.01 0.67 0.21 0.00 0.47 0.00 0.00 55.06 56.39 2i96 s HIS 64 Cb 0.08 -3.77 1.12 0.00 -0.13 0.00 0.00 32.58 29.88 2i96 s HIS 64 CO 0.80 -2.92 1.58 -1.35 -2.47 0.00 0.00 174.74 170.37 2i96 h PRO 65 N 7.87 0.00 -0.99 2.88 0.11 -1.90 -2.57 132.00 137.40 2i96 h PRO 65 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2i96 h PRO 65 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2i96 h PRO 65 CO 0.91 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 2i96 n GLY 66 N -1.26 1.58 6.06 -0.55 0.00 -1.26 -4.92 105.19 104.85 2i96 n GLY 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.24 1.57 0.00 -0.02 0.00 -0.97 -4.35 105.19 101.66 2i96 n GLY 67 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.33 1.61 0.00 -1.26 -4.50 120.64 116.16 2i96 n GLU 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.19 2i96 n GLU 68 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 31.44 31.62 2i96 n GLU 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2i96 h GLU 69 N 0.00 0.95 -0.11 5.31 4.81 -1.94 -1.37 114.58 122.23 2i96 h GLU 69 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2i96 h GLU 69 Cb 0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2i96 h GLU 69 CO 0.00 0.63 0.00 0.28 -0.73 0.00 0.00 179.01 179.19 2i96 n VAL 70 N -4.63 0.14 0.06 0.32 0.31 -1.26 -3.18 118.33 110.09 2i96 n VAL 70 Ca 0.15 -0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 2i96 n VAL 70 Cb 0.25 0.34 -0.15 0.00 -0.91 0.00 0.00 33.84 33.38 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 2.06 0.58 -1.81 7.52 3.38 -1.46 -3.39 115.31 122.19 2i96 h LEU 71 Ca 0.00 -0.91 0.09 0.00 0.09 0.00 0.00 57.88 57.15 2i96 h LEU 71 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2i96 h LEU 71 CO 0.00 1.68 0.31 0.03 0.09 0.00 0.00 178.44 180.56 2i96 h ARG 72 N -0.06 0.22 0.00 1.13 3.08 -1.57 -1.56 114.38 115.62 2i96 h ARG 72 Ca -0.30 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 2i96 h ARG 72 Cb 1.96 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.95 2i96 h ARG 72 CO 0.16 0.14 -0.52 1.49 -1.07 0.00 0.00 179.97 180.18 2i96 h GLU 73 N 0.22 0.00 0.00 0.04 4.81 -1.75 -3.09 114.58 114.81 2i96 h GLU 73 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2i96 h GLU 73 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2i96 h GLU 73 CO -0.04 0.52 -1.62 1.04 -0.73 0.00 0.00 179.01 178.18 2i96 n GLN 74 N -3.38 0.58 -2.13 1.92 3.00 -0.67 -4.95 117.38 111.74 2i96 n GLN 74 Ca 0.01 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.50 2i96 n GLN 74 Cb 0.67 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 29.29 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2i96 s ALA 75 N -3.43 3.41 0.00 -1.58 0.00 -0.70 -3.24 121.76 116.22 2i96 s ALA 75 Ca -0.04 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2i96 s ALA 75 Cb 0.13 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2i96 s ALA 75 CO 0.87 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.39 2i96 n GLY 76 N 0.77 1.97 0.00 0.00 0.00 -0.45 -4.69 105.19 102.80 2i96 n GLY 76 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2i96 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i96 n GLY 77 N -0.33 5.08 3.79 -0.02 0.00 -1.20 -2.74 105.19 109.77 2i96 n GLY 77 Ca 0.00 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 2i96 n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i96 s ASP 78 N 1.11 6.43 -0.04 1.61 -1.08 -1.26 -0.16 116.67 123.28 2i96 s ASP 78 Ca 0.00 1.97 0.06 0.00 -0.52 0.00 0.00 52.55 54.06 2i96 s ASP 78 Cb 0.00 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 38.99 2i96 s ASP 78 CO 0.00 -0.72 0.97 0.00 0.52 0.00 0.00 175.17 175.94 2i96 n ALA 79 N -0.74 1.92 0.31 3.66 0.00 0.05 -4.73 120.51 120.97 2i96 n ALA 79 Ca 0.08 -1.47 0.19 0.00 0.00 0.00 0.00 53.44 52.25 2i96 n ALA 79 Cb 0.52 -0.23 1.04 0.00 0.00 0.00 0.00 19.45 20.77 2i96 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i96 h THR 80 N 1.89 0.14 0.01 0.00 1.03 -1.93 -2.75 112.91 111.30 2i96 h THR 80 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.43 2i96 h THR 80 Cb 0.93 0.90 -0.05 0.00 -1.07 0.00 0.00 68.15 68.86 2i96 h THR 80 CO 0.00 0.00 -0.43 -0.08 -0.01 0.00 0.00 175.52 175.00 2i96 h GLU 81 N 0.00 -0.56 -0.44 0.00 4.57 -1.96 0.11 114.58 116.31 2i96 h GLU 81 Ca 0.02 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 2i96 h GLU 81 Cb 0.23 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2i96 h GLU 81 CO -0.00 -0.38 0.03 -0.91 -1.18 0.00 0.00 179.01 176.57 2i96 h ASN 82 N -0.58 0.66 0.15 1.04 4.21 -1.88 0.39 115.58 119.57 2i96 h ASN 82 Ca 0.04 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 2i96 h ASN 82 Cb 0.66 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2i96 h ASN 82 CO -0.32 0.71 -0.10 0.15 -1.29 0.00 0.00 177.43 176.59 2i96 h PHE 83 N 0.66 0.00 -0.00 1.19 3.57 -1.34 -1.55 116.94 119.48 2i96 h PHE 83 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2i96 h PHE 83 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2i96 h PHE 83 CO 0.02 0.10 -0.38 -0.85 -2.23 0.00 0.00 178.31 174.97 2i96 n GLU 84 N -4.10 3.01 -0.12 1.11 0.28 0.31 -3.56 120.64 117.57 2i96 n GLU 84 Ca -0.03 -0.25 -0.21 0.00 -0.16 0.00 0.00 57.16 56.51 2i96 n GLU 84 Cb 0.18 -1.03 -0.12 0.00 1.43 0.00 0.00 31.44 31.91 2i96 n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2i96 n ASP 85 N -0.84 1.98 0.00 -1.84 2.03 0.13 -4.77 116.55 113.24 2i96 n ASP 85 Ca 0.03 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2i96 n ASP 85 Cb 0.18 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 2i96 n ASP 85 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2i96 n VAL 86 N -3.55 0.00 0.00 5.18 0.24 -0.67 -5.06 118.33 114.47 2i96 n VAL 86 Ca -0.47 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 2i96 n VAL 86 Cb 0.96 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 2i96 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i96 n GLY 87 N 1.43 -1.16 0.00 7.63 0.00 -0.71 -5.04 105.19 107.34 2i96 n GLY 87 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2i96 n GLY 87 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2i96 n HIS 88 N -0.25 0.00 -3.87 1.61 -0.00 -1.26 -4.38 115.22 107.08 2i96 n HIS 88 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2i96 n HIS 88 Cb 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.75 2i96 n HIS 88 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2i96 s SER 89 N 2.00 -0.01 0.54 0.26 0.15 -1.26 -5.03 113.70 110.35 2i96 s SER 89 Ca 0.00 -0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.84 2i96 s SER 89 Cb 0.00 0.18 1.43 0.00 -1.71 0.00 0.00 66.02 65.92 2i96 s SER 89 CO 0.00 -0.15 2.17 0.74 1.20 0.00 0.00 173.24 177.20 2i96 h THR 90 N 4.78 0.85 -0.89 6.45 2.02 -2.02 -1.70 112.91 122.39 2i96 h THR 90 Ca -0.27 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.15 2i96 h THR 90 Cb 1.20 0.98 -0.14 0.00 -1.74 0.00 0.00 68.15 68.45 2i96 h THR 90 CO 0.43 0.00 0.25 -0.78 0.37 0.00 0.00 175.52 175.80 2i96 h ASP 91 N 0.00 0.02 0.24 4.18 1.82 -2.02 0.94 116.42 121.60 2i96 h ASP 91 Ca 0.02 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2i96 h ASP 91 Cb 0.07 0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2i96 h ASP 91 CO -0.00 -0.17 0.00 0.00 -1.61 0.00 0.00 179.24 177.46 2i96 n ALA 92 N -2.69 2.37 0.64 -0.78 0.00 -0.64 -2.30 120.51 117.11 2i96 n ALA 92 Ca 0.22 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2i96 n ALA 92 Cb 0.72 -1.42 0.25 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.14 0.24 -0.07 0.00 1.74 0.33 -2.94 116.66 114.81 2i96 n ARG 93 Ca 0.16 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 57.27 2i96 n ARG 93 Cb 0.14 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 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 -2.05 1.56 0.09 5.56 4.07 -0.97 -4.34 120.64 124.55 2i96 n GLU 94 Ca 0.04 -0.01 -0.07 0.00 -0.06 0.00 0.00 57.16 57.06 2i96 n GLU 94 Cb 0.42 -1.38 -0.03 0.00 -0.06 0.00 0.00 31.44 30.40 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 2i96 h MET 95 N 0.00 0.08 0.00 5.31 4.05 -1.65 -3.36 114.93 119.37 2i96 h MET 95 Ca -0.39 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2i96 h MET 95 Cb 1.87 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 2i96 h MET 95 CO 0.02 0.92 -0.29 -1.13 0.23 0.00 0.00 176.91 176.67 2i96 n SER 96 N -3.56 0.34 -0.36 1.39 3.41 -1.15 -4.03 113.62 109.66 2i96 n SER 96 Ca -0.02 0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 2i96 n SER 96 Cb 0.84 -0.11 0.23 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.99 0.00 4.33 1.57 -1.78 -0.60 116.57 121.08 2i96 h LYS 97 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2i96 h LYS 97 Cb 0.54 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2i96 h LYS 97 CO 0.00 0.65 0.00 2.41 -0.57 0.00 0.00 179.45 181.94 2i96 n THR 98 N -4.61 0.00 0.68 -0.16 -1.04 -1.26 -2.19 114.28 105.71 2i96 n THR 98 Ca 0.18 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.26 2i96 n THR 98 Cb 0.33 -0.41 -0.05 0.00 -1.82 0.00 0.00 70.33 68.38 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 -0.88 0.00 -2.57 -1.42 3.72 -0.24 -4.88 117.46 111.19 2i96 n PHE 99 Ca 0.18 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.16 2i96 n PHE 99 Cb 0.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.13 3.86 -0.60 4.37 1.01 -0.93 -2.20 121.20 124.57 2i96 s ILE 100 Ca 0.09 -0.22 0.25 0.00 0.00 0.00 0.00 60.65 60.76 2i96 s ILE 100 Cb 0.12 -4.98 0.23 0.00 0.01 0.00 0.00 42.46 37.84 2i96 s ILE 100 CO 0.50 -1.88 1.58 0.16 0.00 0.00 0.00 174.94 175.31 2i96 h ILE 101 N 6.39 0.00 0.00 2.92 3.07 -1.68 -3.49 117.51 124.72 2i96 h ILE 101 Ca -0.04 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.72 2i96 h ILE 101 Cb 1.03 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2i96 h ILE 101 CO 1.34 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 179.05 2i96 n GLY 102 N 1.25 -0.52 0.00 0.16 0.00 -1.22 -4.88 105.19 99.98 2i96 n GLY 102 Ca 0.04 -0.90 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 1.39 -2.95 1.61 1.02 0.08 -0.58 120.64 121.22 2i96 n GLU 103 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2i96 n GLU 103 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 2i96 n GLU 103 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2i96 s LEU 104 N 0.00 3.60 0.57 -4.62 2.96 -0.97 -0.75 118.68 119.47 2i96 s LEU 104 Ca 0.00 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 2i96 s LEU 104 Cb 0.00 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2i96 s LEU 104 CO 0.00 -0.77 1.20 -2.28 -1.32 0.00 0.00 176.35 173.18 2i96 s HIS 105 N -2.56 2.47 0.32 5.38 2.46 0.76 -4.39 115.29 119.73 2i96 s HIS 105 Ca 0.50 1.51 0.19 0.00 0.47 0.00 0.00 55.06 57.73 2i96 s HIS 105 Cb -0.10 -3.47 1.14 0.00 -0.13 0.00 0.00 32.58 30.03 2i96 s HIS 105 CO 0.37 -2.09 1.30 -2.30 -2.47 0.00 0.00 174.74 169.55 2i96 n PRO 106 N -1.39 -0.05 0.11 2.88 -0.02 -1.26 0.15 135.00 135.43 2i96 n PRO 106 Ca 0.12 1.12 -0.21 0.00 -2.02 0.00 0.00 63.50 62.51 2i96 n PRO 106 Cb 0.49 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.78 2i96 n PRO 106 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2i96 h ASP 107 N 0.00 0.63 0.52 2.55 3.32 -1.96 -3.36 116.42 118.11 2i96 h ASP 107 Ca 0.71 -0.73 -0.26 0.00 0.02 0.00 0.00 57.03 56.76 2i96 h ASP 107 Cb 1.97 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 41.27 2i96 h ASP 107 CO -0.58 1.58 -1.66 0.47 -1.72 0.00 0.00 179.24 177.33 2i96 n ASP 108 N -3.60 0.84 0.23 6.45 8.00 0.48 -3.43 116.55 125.51 2i96 n ASP 108 Ca -0.16 0.39 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 2i96 n ASP 108 Cb 1.07 0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 42.12 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2i96 h ARG 109 N 0.00 -0.78 0.00 -1.24 2.43 0.12 -3.20 114.38 111.71 2i96 h ARG 109 Ca -0.26 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2i96 h ARG 109 Cb 1.91 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 2i96 h ARG 109 CO 0.07 -0.52 -1.66 -0.35 -1.51 0.00 0.00 179.97 176.00 2i96 n PRO 110 N -5.50 0.48 0.00 0.20 -0.04 -1.26 -4.81 135.00 124.08 2i96 n PRO 110 Ca -0.10 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2i96 n PRO 110 Cb 0.40 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.08 0.00 -0.08 0.54 5.02 -1.21 -3.39 118.16 116.96 2i96 n LYS 111 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 2i96 n LYS 111 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 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 1.84 -3.83 -0.35 7.94 -1.26 -4.95 117.00 116.39 2i96 n LEU 112 Ca 0.00 0.56 -0.09 0.00 -1.11 0.00 0.00 56.01 55.36 2i96 n LEU 112 Cb 0.00 -0.84 -0.07 0.00 0.53 0.00 0.00 43.42 43.05 2i96 n LEU 112 CO 0.00 -0.41 -0.02 0.21 -1.11 0.00 0.00 177.39 176.06 2i96 s ASN 113 N -5.79 0.03 0.08 1.96 3.04 -1.22 -5.18 114.94 107.86 2i96 s ASN 113 Ca -0.19 -0.62 0.06 0.00 0.04 0.00 0.00 52.86 52.15 2i96 s ASN 113 Cb 0.03 0.39 -0.03 0.00 -1.54 0.00 0.00 41.25 40.10 2i96 s ASN 113 CO 0.28 -0.79 -0.16 -1.59 -3.04 0.00 0.00 177.10 171.80 2i96 s LYS 114 N -3.87 0.89 -0.11 0.43 -2.85 -1.26 -4.70 119.74 108.27 2i96 s LYS 114 Ca 0.07 -1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 53.73 2i96 s LYS 114 Cb 0.04 -0.95 -0.03 0.00 -2.06 0.00 0.00 37.83 34.83 2i96 s LYS 114 CO -0.09 0.21 1.35 -2.14 0.10 0.00 0.00 175.35 174.79 2i96 s PRO 115 N -1.82 4.24 0.13 1.78 0.02 -1.26 -4.96 135.00 133.14 2i96 s PRO 115 Ca 0.00 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 2i96 s PRO 115 Cb -0.10 -3.77 -0.05 0.00 0.02 0.00 0.00 34.50 30.60 2i96 s PRO 115 CO 0.03 -0.69 1.58 -1.00 -0.33 0.00 0.00 177.00 176.58 2i96 h PRO 116 N 8.36 -0.45 0.00 5.54 0.13 -2.07 -3.47 132.00 140.04 2i96 h PRO 116 Ca -0.31 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2i96 h PRO 116 Cb 1.13 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2i96 h PRO 116 CO 0.95 -0.30 0.00 -1.91 -0.23 0.00 0.00 178.00 176.51 2i96 n GLU 117 N -5.43 0.00 -4.06 0.86 2.13 -1.26 -5.16 120.64 107.72 2i96 n GLU 117 Ca -0.04 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 2i96 n GLU 117 Cb 0.36 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.96 2i96 n GLU 117 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2i96 s THR 118 N -0.72 0.35 0.07 6.31 2.01 -1.26 -5.17 115.64 117.22 2i96 s THR 118 Ca 0.00 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.65 2i96 s THR 118 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2i96 s THR 118 CO 0.00 -0.66 0.02 0.18 -0.69 0.00 0.00 174.62 173.47 2i96 n LEU 119 N 0.91 0.00 0.28 4.42 4.32 -1.26 -5.02 117.00 120.65 2i96 n LEU 119 Ca -0.19 -0.42 0.18 0.00 -0.02 0.00 0.00 56.01 55.56 2i96 n LEU 119 Cb 0.57 0.03 0.75 0.00 -1.62 0.00 0.00 43.42 43.16 2i96 n LEU 119 CO 0.24 -0.14 1.01 0.40 -1.22 0.00 0.00 177.39 177.68 2i96 h ILE 120 N 0.86 0.00 0.00 -0.08 2.04 -2.07 -3.46 117.51 114.81 2i96 h ILE 120 Ca -0.05 -0.41 -0.35 0.00 1.00 0.00 0.00 64.86 65.04 2i96 h ILE 120 Cb 0.17 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 2i96 h ILE 120 CO 0.09 0.00 1.26 0.35 0.00 0.00 0.00 178.15 179.84 2i96 n THR 121 N -3.02 0.00 -1.72 -0.27 -2.24 -1.26 -4.32 114.28 101.46 2i96 n THR 121 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2i96 n THR 121 Cb 0.26 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2i96 n THR 121 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2i96 n THR 122 N 5.32 -5.49 -3.17 4.28 5.66 -1.26 -4.90 114.28 114.71 2i96 n THR 122 Ca 0.47 2.50 -0.40 0.00 -3.05 0.00 0.00 64.05 63.57 2i96 n THR 122 Cb 0.02 -3.36 -0.07 0.00 -1.55 0.00 0.00 70.33 65.37 2i96 n THR 122 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2i96 s ILE 123 N -2.60 5.03 0.00 1.09 1.01 -1.26 -4.88 121.20 119.59 2i96 s ILE 123 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2i96 s ILE 123 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2i96 s ILE 123 CO 0.00 0.06 0.00 -0.67 0.00 0.00 0.00 174.94 174.33 2i96 n ASP 124 N 5.56 0.00 -2.32 3.58 2.03 -1.26 -4.83 116.55 119.31 2i96 n ASP 124 Ca -0.02 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.25 2i96 n ASP 124 Cb 0.49 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.92 2i96 n ASP 124 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2i96 n SER 125 N 0.16 0.07 0.00 1.67 7.64 -1.26 -5.08 113.62 116.82 2i96 n SER 125 Ca 0.00 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2i96 n SER 125 Cb 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 -3.08 0.00 0.00 6.43 2.88 -1.26 -5.01 113.62 113.58 2i96 n SER 126 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2i96 n SER 126 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2i96 n SER 126 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2i96 n SER 127 N -1.33 0.00 0.00 -3.46 2.88 -1.26 -5.22 113.62 105.24 2i96 n SER 127 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2i96 n SER 127 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2i96 n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57