#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 4.62 -0.82 -5.12 0.00 -1.26 -4.84 120.51 113.10 2i96 n ALA 22 Ca 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.99 2i96 n ALA 22 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 15.92 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 6.18 0.00 0.00 0.00 4.07 -1.26 -4.44 120.64 125.18 2i96 n GLU 23 Ca 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 2i96 n GLU 23 Cb 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.74 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 -3.01 5.31 7.27 -1.26 -5.03 117.38 120.66 2i96 n GLN 24 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 2i96 n GLN 24 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 2i96 n GLN 24 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2i96 n SER 25 N -2.55 3.58 -0.29 1.69 3.41 -1.26 -5.10 113.62 113.10 2i96 n SER 25 Ca 0.00 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 2i96 n SER 25 Cb 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2i96 n SER 25 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2i96 n ASP 26 N -0.09 -2.73 -4.07 4.04 2.03 -1.26 -4.87 116.55 109.61 2i96 n ASP 26 Ca 0.29 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.31 2i96 n ASP 26 Cb 0.46 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.07 2i96 n ASP 26 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2i96 s GLU 27 N 0.00 -0.36 -0.04 -0.67 2.02 -1.26 -4.91 118.70 113.47 2i96 s GLU 27 Ca 0.00 -0.07 -0.09 0.00 0.02 0.00 0.00 54.97 54.82 2i96 s GLU 27 Cb 0.00 -1.70 -0.05 0.00 0.10 0.00 0.00 34.13 32.49 2i96 s GLU 27 CO 0.00 -3.14 0.26 0.00 0.02 0.00 0.00 175.26 172.40 2i96 s ALA 28 N -3.26 3.82 -0.04 5.21 0.00 -1.26 -5.07 121.76 121.16 2i96 s ALA 28 Ca 0.70 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 2i96 s ALA 28 Cb -0.09 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2i96 s ALA 28 CO 0.55 0.59 1.20 0.08 0.00 0.00 0.00 175.76 178.18 2i96 s VAL 29 N -1.13 4.23 0.06 0.00 1.01 -1.26 -4.98 120.40 118.32 2i96 s VAL 29 Ca 0.22 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 2i96 s VAL 29 Cb -0.14 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2i96 s VAL 29 CO 0.10 0.02 1.29 -0.54 0.00 0.00 0.00 175.10 175.97 2i96 s LYS 30 N 2.06 4.36 0.22 2.72 3.01 -1.26 -4.84 119.74 126.01 2i96 s LYS 30 Ca 0.56 1.89 0.06 0.00 -1.01 0.00 0.00 55.97 57.47 2i96 s LYS 30 Cb -0.25 -3.38 -0.04 0.00 -1.01 0.00 0.00 37.83 33.15 2i96 s LYS 30 CO 0.23 -0.39 0.21 0.71 0.51 0.00 0.00 175.35 176.63 2i96 s TYR 31 N 1.42 3.21 0.13 3.18 2.02 -1.26 -1.56 117.35 124.49 2i96 s TYR 31 Ca 0.61 -0.05 0.06 0.00 -0.37 0.00 0.00 57.07 57.32 2i96 s TYR 31 Cb -0.32 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 2i96 s TYR 31 CO 0.28 0.51 -0.14 0.71 -1.57 0.00 0.00 175.55 175.34 2i96 s TYR 32 N -1.96 1.41 0.38 2.71 1.51 -0.48 -4.77 117.35 116.15 2i96 s TYR 32 Ca 0.33 -0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 55.62 2i96 s TYR 32 Cb -0.09 -0.73 -0.10 0.00 -0.11 0.00 0.00 41.96 40.93 2i96 s TYR 32 CO 0.25 0.15 0.89 0.95 -1.11 0.00 0.00 175.55 176.68 2i96 s THR 33 N -2.23 4.45 0.51 -0.71 -4.23 -1.26 0.58 115.64 112.74 2i96 s THR 33 Ca 0.10 1.39 0.23 0.00 -1.18 0.00 0.00 61.69 62.23 2i96 s THR 33 Cb -0.04 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.41 2i96 s THR 33 CO 0.03 -0.20 2.14 0.25 -0.54 0.00 0.00 174.62 176.30 2i96 h LEU 34 N 2.24 0.00 -0.10 4.79 5.85 -1.99 -2.78 115.31 123.32 2i96 h LEU 34 Ca -0.48 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2i96 h LEU 34 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2i96 h LEU 34 CO 0.63 0.06 0.06 -0.33 -0.34 0.00 0.00 178.44 178.52 2i96 h GLU 35 N 0.00 0.14 0.02 1.25 5.08 -1.96 -3.08 114.58 116.04 2i96 h GLU 35 Ca -0.00 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 2i96 h GLU 35 Cb 0.14 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2i96 h GLU 35 CO 0.01 0.17 -1.05 1.05 -1.00 0.00 0.00 179.01 178.18 2i96 h GLU 36 N 0.08 0.05 -0.29 2.33 4.11 -1.89 -2.54 114.58 116.43 2i96 h GLU 36 Ca 0.04 -0.08 -0.13 0.00 0.07 0.00 0.00 59.36 59.26 2i96 h GLU 36 Cb 0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2i96 h GLU 36 CO -0.01 1.03 -0.34 0.82 0.07 0.00 0.00 179.01 180.59 2i96 h ILE 37 N 0.01 1.29 -0.83 -1.06 2.04 -1.60 -0.04 117.51 117.32 2i96 h ILE 37 Ca -0.03 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.35 2i96 h ILE 37 Cb 1.81 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 39.27 2i96 h ILE 37 CO 0.14 0.47 0.52 1.56 0.00 0.00 0.00 178.15 180.85 2i96 h GLN 38 N 0.54 1.11 -0.01 2.37 1.08 -1.41 -2.81 115.11 115.99 2i96 h GLN 38 Ca 0.06 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2i96 h GLN 38 Cb 0.84 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2i96 h GLN 38 CO 0.07 0.77 0.00 1.17 -0.95 0.00 0.00 178.83 179.89 2i96 n LYS 39 N -4.47 1.04 -0.08 1.46 4.81 -0.43 -2.47 118.16 118.01 2i96 n LYS 39 Ca 0.09 -0.06 0.06 0.00 -0.87 0.00 0.00 58.31 57.52 2i96 n LYS 39 Cb 0.04 -1.39 0.10 0.00 0.02 0.00 0.00 35.03 33.79 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 -0.82 0.12 1.99 5.64 8.25 -0.16 -4.74 115.22 125.50 2i96 n HIS 40 Ca 0.19 -0.75 0.07 0.00 -0.26 0.00 0.00 57.72 56.97 2i96 n HIS 40 Cb 0.10 -0.12 0.44 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.83 0.01 -4.47 0.41 0.23 -1.03 -3.41 115.26 106.17 2i96 n ASN 41 Ca 0.10 -1.54 -0.24 0.00 -0.53 0.00 0.00 54.58 52.36 2i96 n ASN 41 Cb 0.49 -0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 2i96 n ASN 41 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2i96 s HIS 42 N -2.00 2.31 0.00 -2.53 -3.43 -1.25 -4.86 115.29 103.53 2i96 s HIS 42 Ca 0.22 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 2i96 s HIS 42 Cb 0.10 -1.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.23 2i96 s HIS 42 CO 0.17 0.68 0.00 -1.13 -2.00 0.00 0.00 174.74 172.46 2i96 n SER 43 N -0.49 0.00 0.15 7.38 3.41 -1.26 0.48 113.62 123.29 2i96 n SER 43 Ca -0.06 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.62 2i96 n SER 43 Cb 0.59 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.91 2i96 n SER 43 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2i96 n LYS 44 N -3.34 0.09 -3.93 4.33 5.02 -1.26 -4.68 118.16 114.39 2i96 n LYS 44 Ca 0.00 0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 56.77 2i96 n LYS 44 Cb 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 35.03 32.93 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 -3.45 -0.16 -0.32 4.39 0.01 0.18 -5.10 113.70 109.24 2i96 s SER 45 Ca -0.01 -0.78 0.04 0.00 1.31 0.00 0.00 55.95 56.51 2i96 s SER 45 Cb 0.04 0.63 0.17 0.00 0.21 0.00 0.00 66.02 67.07 2i96 s SER 45 CO 0.12 -1.20 0.47 -0.89 0.41 0.00 0.00 173.24 172.15 2i96 s THR 46 N -3.97 -0.70 0.23 1.44 2.01 -1.22 -3.84 115.64 109.59 2i96 s THR 46 Ca 0.17 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.95 2i96 s THR 46 Cb -0.03 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2i96 s THR 46 CO 0.07 -0.24 -0.06 0.26 -0.69 0.00 0.00 174.62 173.96 2i96 s TRP 47 N 2.29 2.64 0.31 4.92 0.52 -1.24 -1.17 118.94 127.21 2i96 s TRP 47 Ca 0.12 -0.23 -0.07 0.00 0.02 0.00 0.00 56.10 55.94 2i96 s TRP 47 Cb -0.11 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 2i96 s TRP 47 CO -0.21 0.59 0.49 -0.48 0.02 0.00 0.00 176.95 177.35 2i96 s LEU 48 N -3.34 0.69 -0.04 2.99 2.34 -0.89 -1.40 118.68 119.03 2i96 s LEU 48 Ca 0.29 -1.26 0.00 0.00 0.06 0.00 0.00 54.13 53.22 2i96 s LEU 48 Cb -0.07 1.64 0.03 0.00 -0.56 0.00 0.00 46.19 47.22 2i96 s LEU 48 CO 0.18 -1.26 -0.01 -0.63 -1.06 0.00 0.00 176.35 173.57 2i96 s ILE 49 N -3.37 0.30 -0.03 1.48 1.01 0.87 -0.74 121.20 120.72 2i96 s ILE 49 Ca 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 2i96 s ILE 49 Cb -0.01 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2i96 s ILE 49 CO 0.15 0.18 -0.04 -0.07 0.00 0.00 0.00 174.94 175.17 2i96 h LEU 50 N 7.39 0.00 0.00 2.97 3.38 -1.81 0.34 115.31 127.58 2i96 h LEU 50 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2i96 h LEU 50 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2i96 h LEU 50 CO 0.44 0.17 -0.84 1.41 0.09 0.00 0.00 178.44 179.71 2i96 n HIS 51 N -2.79 0.00 -0.64 1.13 8.25 -1.26 -3.78 115.22 116.14 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 0.06 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2i96 n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2i96 n HIS 52 N -2.57 0.00 -3.03 4.41 1.44 -1.26 -5.05 115.22 109.16 2i96 n HIS 52 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 2i96 n HIS 52 Cb 0.42 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.48 2i96 n HIS 52 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2i96 s LYS 53 N 0.00 4.45 0.15 -1.40 -0.14 -1.26 -2.88 119.74 118.65 2i96 s LYS 53 Ca 0.00 0.92 -0.18 0.00 -1.36 0.00 0.00 55.97 55.36 2i96 s LYS 53 Cb 0.00 -3.44 -0.07 0.00 -1.68 0.00 0.00 37.83 32.64 2i96 s LYS 53 CO 0.00 0.09 0.62 0.54 -0.76 0.00 0.00 175.35 175.83 2i96 s VAL 54 N 0.70 4.72 0.19 3.17 0.11 -0.33 -3.18 120.40 125.78 2i96 s VAL 54 Ca 0.38 1.11 0.11 0.00 -2.93 0.00 0.00 61.98 60.65 2i96 s VAL 54 Cb -0.18 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 2i96 s VAL 54 CO 0.19 0.33 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.76 2i96 s TYR 55 N -1.37 2.20 -0.14 1.54 1.51 0.08 -2.22 117.35 118.95 2i96 s TYR 55 Ca 0.37 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 2i96 s TYR 55 Cb -0.17 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 2i96 s TYR 55 CO 0.20 0.48 -0.19 0.34 -1.11 0.00 0.00 175.55 175.27 2i96 s ASP 56 N -2.72 3.36 -0.04 2.29 -1.08 -0.31 -2.09 116.67 116.07 2i96 s ASP 56 Ca 0.20 -0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 51.66 2i96 s ASP 56 Cb -0.07 -1.49 -0.01 0.00 -1.46 0.00 0.00 42.92 39.88 2i96 s ASP 56 CO 0.10 0.10 -0.08 0.18 0.52 0.00 0.00 175.17 175.99 2i96 n LEU 57 N 3.92 0.49 0.00 -1.34 4.77 -0.32 -4.77 117.00 119.76 2i96 n LEU 57 Ca -0.19 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2i96 n LEU 57 Cb 0.52 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2i96 n LEU 57 CO 0.28 -0.45 0.00 0.41 -1.33 0.00 0.00 177.39 176.30 2i96 n THR 58 N -3.00 0.00 0.08 -5.08 -1.04 -1.24 -1.65 114.28 102.36 2i96 n THR 58 Ca -0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 2i96 n THR 58 Cb 0.12 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.12 0.00 -2.82 1.79 -1.95 -3.32 116.57 110.38 2i96 h LYS 59 Ca 0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2i96 h LYS 59 Cb 0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2i96 h LYS 59 CO 0.00 1.09 0.00 0.35 -1.08 0.00 0.00 179.45 179.81 2i96 h PHE 60 N 0.03 0.00 -0.98 -1.35 3.57 -1.67 -3.15 116.94 113.39 2i96 h PHE 60 Ca -0.06 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.65 2i96 h PHE 60 Cb 1.85 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.50 2i96 h PHE 60 CO 0.03 0.00 0.62 -0.07 -2.23 0.00 0.00 178.31 176.66 2i96 h LEU 61 N 0.00 0.59 0.00 0.59 3.38 -1.81 -2.12 115.31 115.94 2i96 h LEU 61 Ca 0.00 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2i96 h LEU 61 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2i96 h LEU 61 CO 0.00 0.20 -1.01 1.05 0.09 0.00 0.00 178.44 178.78 2i96 h GLU 62 N 0.57 0.00 0.00 1.13 4.11 -1.86 -1.53 114.58 117.00 2i96 h GLU 62 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 2i96 h GLU 62 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2i96 h GLU 62 CO -0.29 0.22 -0.82 0.93 0.07 0.00 0.00 179.01 179.12 2i96 h GLU 63 N 0.00 0.00 -6.59 1.06 4.39 -1.62 -3.47 114.58 108.35 2i96 h GLU 63 Ca -0.07 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.11 2i96 h GLU 63 Cb 1.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2i96 h GLU 63 CO 0.03 0.00 0.41 -1.58 -1.16 0.00 0.00 179.01 176.71 2i96 s HIS 64 N -3.32 3.73 0.40 4.33 2.46 -1.05 -4.95 115.29 116.89 2i96 s HIS 64 Ca 0.01 1.72 0.13 0.00 0.47 0.00 0.00 55.06 57.39 2i96 s HIS 64 Cb 0.09 -3.14 0.96 0.00 -0.13 0.00 0.00 32.58 30.37 2i96 s HIS 64 CO 0.77 -0.11 1.91 -1.00 -2.47 0.00 0.00 174.74 173.83 2i96 h PRO 65 N 5.46 0.50 -2.36 2.88 0.13 -1.91 -1.76 132.00 134.94 2i96 h PRO 65 Ca -0.43 -0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 2i96 h PRO 65 Cb 1.21 -0.11 -0.39 0.00 0.13 0.00 0.00 31.00 31.84 2i96 h PRO 65 CO 0.72 0.33 -0.25 0.41 -0.23 0.00 0.00 178.00 178.99 2i96 n GLY 66 N -1.49 4.97 3.98 1.56 0.00 -1.26 -5.08 105.19 107.86 2i96 n GLY 66 Ca 0.15 -2.75 -0.22 0.00 0.00 0.00 0.00 46.02 43.20 2i96 n GLY 66 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i96 s GLY 67 N -2.36 1.80 0.00 -0.02 0.00 -0.67 -4.27 107.32 101.80 2i96 s GLY 67 Ca 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2i96 s GLY 67 CO 0.01 -1.06 0.00 -2.21 0.00 0.00 0.00 173.10 169.84 2i96 n GLU 68 N -2.48 0.00 -0.18 2.90 2.13 -0.57 -3.49 120.64 118.94 2i96 n GLU 68 Ca 0.10 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.88 2i96 n GLU 68 Cb 0.60 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.37 2i96 n GLU 68 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2i96 h GLU 69 N 0.00 0.53 0.00 5.31 4.11 -1.91 -2.81 114.58 119.81 2i96 h GLU 69 Ca 0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 2i96 h GLU 69 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2i96 h GLU 69 CO 0.00 0.35 -0.34 0.28 0.07 0.00 0.00 179.01 179.37 2i96 h VAL 70 N 0.55 0.78 -0.04 -1.06 2.07 -1.74 -2.91 116.25 113.90 2i96 h VAL 70 Ca 0.24 -1.46 -0.13 0.00 0.82 0.00 0.00 66.70 66.17 2i96 h VAL 70 Cb 0.15 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2i96 h VAL 70 CO -0.17 0.33 -0.58 -0.07 0.02 0.00 0.00 177.57 177.11 2i96 h LEU 71 N 0.00 0.14 -1.43 2.57 -0.00 -1.70 -3.29 115.31 111.60 2i96 h LEU 71 Ca -0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2i96 h LEU 71 Cb 0.90 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.48 2i96 h LEU 71 CO 0.04 0.68 0.40 0.03 -0.00 0.00 0.00 178.44 179.60 2i96 h ARG 72 N 0.09 0.74 -0.29 1.13 3.08 -1.57 -1.41 114.38 116.16 2i96 h ARG 72 Ca -0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2i96 h ARG 72 Cb 1.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2i96 h ARG 72 CO 0.08 0.49 0.21 1.49 -1.07 0.00 0.00 179.97 181.17 2i96 h GLU 73 N 0.76 0.02 0.00 0.04 4.81 -1.74 -2.84 114.58 115.63 2i96 h GLU 73 Ca 0.23 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2i96 h GLU 73 Cb -0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2i96 h GLU 73 CO -0.06 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.27 2i96 n GLN 74 N -4.46 3.59 -2.43 1.92 1.13 -1.05 -5.02 117.38 111.06 2i96 n GLN 74 Ca 0.04 -0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.56 2i96 n GLN 74 Cb 0.36 -0.53 -0.03 0.00 0.11 0.00 0.00 30.24 30.16 2i96 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2i96 s ALA 75 N -0.54 3.52 0.00 -1.58 0.00 -0.56 -3.09 121.76 119.51 2i96 s ALA 75 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2i96 s ALA 75 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2i96 s ALA 75 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2i96 n GLY 76 N 3.41 1.53 0.00 0.00 0.00 -0.49 -4.60 105.19 105.03 2i96 n GLY 76 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.10 3.77 -0.02 0.00 -1.18 -2.64 105.19 108.23 2i96 n GLY 77 Ca 0.00 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 2.00 6.84 0.00 1.61 -4.77 -1.25 -0.09 116.67 121.02 2i96 s ASP 78 Ca 0.00 2.33 0.00 0.00 -3.30 0.00 0.00 52.55 51.58 2i96 s ASP 78 Cb 0.00 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 2i96 s ASP 78 CO 0.00 -0.45 0.54 0.00 0.70 0.00 0.00 175.17 175.96 2i96 n ALA 79 N 0.54 1.22 0.16 2.11 0.00 0.12 -4.84 120.51 119.82 2i96 n ALA 79 Ca 0.02 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 52.98 2i96 n ALA 79 Cb 0.46 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.13 1.40 0.05 0.00 5.66 -1.25 -2.75 114.28 117.27 2i96 n THR 80 Ca 0.00 0.53 -0.13 0.00 -3.05 0.00 0.00 64.05 61.40 2i96 n THR 80 Cb 0.34 -1.50 -0.07 0.00 -1.55 0.00 0.00 70.33 67.56 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 -0.28 1.09 4.39 -1.91 -2.13 114.58 115.19 2i96 h GLU 81 Ca 0.00 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2i96 h GLU 81 Cb 0.07 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2i96 h GLU 81 CO 0.00 -0.36 0.03 -0.91 -1.16 0.00 0.00 179.01 176.61 2i96 h ASN 82 N -0.57 0.37 -0.13 1.42 4.21 -1.94 -0.52 115.58 118.43 2i96 h ASN 82 Ca 0.05 -0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2i96 h ASN 82 Cb 0.65 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 2i96 h ASN 82 CO -0.33 0.41 0.06 0.15 -1.29 0.00 0.00 177.43 176.43 2i96 h PHE 83 N 0.40 0.24 0.00 1.19 3.04 -1.53 -1.47 116.94 118.82 2i96 h PHE 83 Ca 0.09 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 2i96 h PHE 83 Cb 0.21 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.65 2i96 h PHE 83 CO 0.01 0.21 -0.93 0.39 -2.02 0.00 0.00 178.31 175.97 2i96 n GLU 84 N -4.45 1.53 -0.06 1.11 1.02 -0.67 -3.00 120.64 116.12 2i96 n GLU 84 Ca -0.00 -0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.06 2i96 n GLU 84 Cb 0.13 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.50 1.45 -0.03 1.62 2.03 -0.29 -4.66 116.55 115.17 2i96 n ASP 85 Ca 0.02 0.43 -0.09 0.00 0.52 0.00 0.00 54.79 55.66 2i96 n ASP 85 Cb 0.28 -0.75 -0.14 0.00 -0.72 0.00 0.00 41.12 39.79 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 -4.07 1.59 0.00 5.18 0.31 -0.59 -5.07 118.33 115.68 2i96 n VAL 86 Ca -0.08 -0.80 0.00 0.00 -0.01 0.00 0.00 64.34 63.45 2i96 n VAL 86 Cb 0.29 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 1.59 3.12 2.62 2.92 0.00 -1.09 -5.07 105.19 109.28 2i96 n GLY 87 Ca -0.19 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 2i96 n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2i96 s HIS 88 N -1.62 0.08 1.03 1.61 2.46 -1.16 -4.80 115.29 112.89 2i96 s HIS 88 Ca 0.00 -0.46 -0.16 0.00 0.47 0.00 0.00 55.06 54.91 2i96 s HIS 88 Cb 0.00 -0.70 0.21 0.00 -0.13 0.00 0.00 32.58 31.97 2i96 s HIS 88 CO 0.00 -0.73 1.20 -1.54 -2.47 0.00 0.00 174.74 171.20 2i96 s SER 89 N 2.18 2.44 0.25 9.88 1.04 -1.26 -4.91 113.70 123.33 2i96 s SER 89 Ca 0.07 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.05 2i96 s SER 89 Cb -0.16 -0.83 0.46 0.00 0.10 0.00 0.00 66.02 65.59 2i96 s SER 89 CO -0.26 -3.18 1.78 0.74 0.98 0.00 0.00 173.24 173.30 2i96 h THR 90 N -1.94 0.79 -0.70 2.02 2.02 -2.01 -2.75 112.91 110.35 2i96 h THR 90 Ca -0.46 -0.23 0.15 0.00 0.77 0.00 0.00 66.41 66.64 2i96 h THR 90 Cb 1.28 0.08 -0.13 0.00 -1.74 0.00 0.00 68.15 67.64 2i96 h THR 90 CO 0.43 0.12 -0.09 -0.78 0.37 0.00 0.00 175.52 175.57 2i96 h ASP 91 N 0.66 -0.49 0.00 4.18 1.82 -2.00 0.12 116.42 120.71 2i96 h ASP 91 Ca 0.43 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 57.26 2i96 h ASP 91 Cb 0.53 0.38 0.00 0.00 0.68 0.00 0.00 39.33 40.91 2i96 h ASP 91 CO -0.32 -0.20 0.00 0.00 -1.61 0.00 0.00 179.24 177.11 2i96 n ALA 92 N -3.03 2.19 0.61 -0.78 0.00 -1.04 -0.46 120.51 118.00 2i96 n ALA 92 Ca 0.11 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.57 2i96 n ALA 92 Cb 0.40 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.71 1.36 -0.00 0.00 1.74 0.41 -3.87 116.66 115.59 2i96 n ARG 93 Ca 0.06 -0.03 0.01 0.00 -0.77 0.00 0.00 57.85 57.12 2i96 n ARG 93 Cb 0.03 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.54 0.33 0.04 5.56 2.13 -0.03 -4.57 120.64 122.57 2i96 n GLU 94 Ca 0.02 -0.02 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2i96 n GLU 94 Cb 0.29 -1.04 -0.08 0.00 0.27 0.00 0.00 31.44 30.88 2i96 n GLU 94 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 2i96 h MET 95 N 0.00 0.00 -0.00 5.31 4.05 -0.99 -3.37 114.93 119.93 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 0.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2i96 h MET 95 CO 0.00 0.49 -0.05 -1.13 0.23 0.00 0.00 176.91 176.46 2i96 n SER 96 N -3.06 0.23 0.11 1.39 3.41 -1.25 -4.21 113.62 110.23 2i96 n SER 96 Ca -0.08 -0.49 0.12 0.00 -0.26 0.00 0.00 58.87 58.17 2i96 n SER 96 Cb 0.89 -0.15 0.62 0.00 -0.26 0.00 0.00 64.21 65.31 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 0.29 0.10 -0.16 4.33 1.79 -1.85 -0.16 116.57 120.91 2i96 h LYS 97 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2i96 h LYS 97 Cb 0.27 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2i96 h LYS 97 CO 0.00 0.07 0.00 0.25 -1.08 0.00 0.00 179.45 178.69 2i96 n THR 98 N -4.47 0.19 0.73 -0.16 -2.24 -1.26 -3.65 114.28 103.41 2i96 n THR 98 Ca 0.03 -0.43 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 2i96 n THR 98 Cb 0.29 0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.70 0.00 -2.38 4.78 3.72 -0.07 -4.90 117.46 119.30 2i96 n PHE 99 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 2i96 n PHE 99 Cb 0.44 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 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 -2.76 3.77 -0.46 4.37 1.01 -1.22 -1.16 121.20 124.76 2i96 s ILE 100 Ca 0.05 0.66 0.23 0.00 0.00 0.00 0.00 60.65 61.60 2i96 s ILE 100 Cb 0.13 -4.41 0.12 0.00 0.01 0.00 0.00 42.46 38.31 2i96 s ILE 100 CO 0.73 -1.14 1.32 0.16 0.00 0.00 0.00 174.94 176.02 2i96 h ILE 101 N 6.40 0.00 0.00 2.92 3.07 -1.78 -3.49 117.51 124.63 2i96 h ILE 101 Ca -0.27 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.35 2i96 h ILE 101 Cb 1.09 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 2i96 h ILE 101 CO 1.17 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.88 2i96 n GLY 102 N 1.22 -0.53 1.68 0.16 0.00 -1.23 -4.79 105.19 101.71 2i96 n GLY 102 Ca 0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 1.00 -2.73 1.61 1.02 -0.60 -1.19 120.64 119.75 2i96 n GLU 103 Ca 0.00 -1.73 -0.32 0.00 -0.02 0.00 0.00 57.16 55.09 2i96 n GLU 103 Cb 0.00 0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 32.13 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 3.84 0.70 -4.62 1.98 -1.14 -1.38 118.68 118.06 2i96 s LEU 104 Ca 0.06 1.52 -0.16 0.00 -2.89 0.00 0.00 54.13 52.66 2i96 s LEU 104 Cb 0.00 -4.40 -0.01 0.00 0.66 0.00 0.00 46.19 42.44 2i96 s LEU 104 CO 0.05 -0.42 0.87 1.57 -1.89 0.00 0.00 176.35 176.52 2i96 n HIS 105 N -0.99 0.36 0.00 5.38 -0.00 0.20 -4.51 115.22 115.66 2i96 n HIS 105 Ca 0.06 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 2i96 n HIS 105 Cb 0.54 -2.05 0.00 0.00 -0.00 0.00 0.00 29.99 28.48 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 -1.47 0.00 0.06 1.57 -0.02 -1.26 -2.45 135.00 131.43 2i96 n PRO 106 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2i96 n PRO 106 Cb 0.49 -0.99 0.18 0.00 -0.02 0.00 0.00 33.50 33.16 2i96 n PRO 106 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2i96 n ASP 107 N -0.26 0.68 0.00 2.55 8.00 -1.26 -4.46 116.55 121.80 2i96 n ASP 107 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2i96 n ASP 107 Cb 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2i96 n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2i96 n ASP 108 N -2.07 0.00 -0.24 -2.24 2.03 -1.02 -4.86 116.55 108.14 2i96 n ASP 108 Ca 0.03 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.37 2i96 n ASP 108 Cb 0.43 0.01 0.15 0.00 -0.72 0.00 0.00 41.12 40.99 2i96 n ASP 108 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2i96 h ARG 109 N 0.00 0.50 0.00 -0.67 1.12 -1.77 -1.76 114.38 111.79 2i96 h ARG 109 Ca 0.00 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.66 2i96 h ARG 109 Cb 0.00 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 29.83 2i96 h ARG 109 CO 0.00 0.33 -0.83 -1.35 -3.11 0.00 0.00 179.97 175.00 2i96 h PRO 110 N 0.51 0.05 0.00 0.20 0.11 -1.84 -3.47 132.00 127.55 2i96 h PRO 110 Ca 0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2i96 h PRO 110 Cb 0.47 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2i96 h PRO 110 CO -0.32 0.85 0.00 1.63 -0.21 0.00 0.00 178.00 179.95 2i96 n LYS 111 N -3.59 0.00 -0.02 1.05 4.76 -0.67 -3.00 118.16 116.69 2i96 n LYS 111 Ca -0.01 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.42 2i96 n LYS 111 Cb 0.79 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.93 2i96 n LYS 111 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2i96 n LEU 112 N 0.00 0.00 -1.76 -0.35 -0.00 -1.26 -4.60 117.00 109.03 2i96 n LEU 112 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 2i96 n LEU 112 Cb 0.00 0.11 0.25 0.00 -0.00 0.00 0.00 43.42 43.78 2i96 n LEU 112 CO 0.00 0.11 0.99 -0.46 -0.00 0.00 0.00 177.39 178.03 2i96 n ASN 113 N -2.08 4.02 -4.70 1.45 6.94 -1.16 -4.97 115.26 114.76 2i96 n ASN 113 Ca -0.08 -3.40 -0.41 0.00 -0.02 0.00 0.00 54.58 50.68 2i96 n ASN 113 Cb 0.54 -0.72 -0.04 0.00 -2.36 0.00 0.00 39.78 37.19 2i96 n ASN 113 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2i96 s LYS 114 N -3.10 4.41 0.56 -3.83 2.20 -1.26 -5.04 119.74 113.69 2i96 s LYS 114 Ca 0.52 1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 56.99 2i96 s LYS 114 Cb 0.43 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 33.19 2i96 s LYS 114 CO 0.10 -0.11 0.97 -0.35 -0.36 0.00 0.00 175.35 175.59 2i96 n PRO 115 N 4.37 1.01 0.00 4.03 -0.04 -1.26 -4.90 135.00 138.21 2i96 n PRO 115 Ca 0.03 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2i96 n PRO 115 Cb 0.50 -2.14 0.71 0.00 -0.04 0.00 0.00 33.50 32.53 2i96 n PRO 115 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2i96 n PRO 116 N -0.74 0.69 0.00 0.54 -0.04 -1.26 -4.92 135.00 129.28 2i96 n PRO 116 Ca 0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2i96 n PRO 116 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2i96 n PRO 116 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2i96 n GLU 117 N -1.05 0.00 -3.60 0.54 -0.58 -1.26 -4.69 120.64 110.00 2i96 n GLU 117 Ca 0.17 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.53 2i96 n GLU 117 Cb 0.10 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.86 2i96 n GLU 117 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2i96 s THR 118 N 0.00 5.16 0.03 2.62 -4.23 -1.26 -4.97 115.64 112.98 2i96 s THR 118 Ca 0.00 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.31 2i96 s THR 118 Cb 0.00 -3.49 -0.16 0.00 1.34 0.00 0.00 72.50 70.19 2i96 s THR 118 CO 0.00 0.21 1.42 -0.07 -0.54 0.00 0.00 174.62 175.64 2i96 h LEU 119 N 8.37 0.13 -7.11 4.79 4.07 -2.03 -3.43 115.31 120.10 2i96 h LEU 119 Ca -0.35 -0.35 -0.18 0.00 0.08 0.00 0.00 57.88 57.09 2i96 h LEU 119 Cb 1.18 -0.03 -0.31 0.00 1.08 0.00 0.00 40.66 42.58 2i96 h LEU 119 CO 0.57 0.45 -0.48 -0.51 -1.08 0.00 0.00 178.44 177.39 2i96 s ILE 120 N -4.81 -0.50 0.35 1.22 2.07 -1.26 -4.96 121.20 113.31 2i96 s ILE 120 Ca -0.15 0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.36 2i96 s ILE 120 Cb 0.04 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 2i96 s ILE 120 CO 0.69 0.07 0.23 0.28 -1.91 0.00 0.00 174.94 174.31 2i96 s THR 121 N 2.49 0.16 0.00 4.00 -1.32 -1.26 -5.04 115.64 114.67 2i96 s THR 121 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.49 2i96 s THR 121 Cb -0.12 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 2i96 s THR 121 CO -0.10 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.72 2i96 n THR 122 N -0.69 0.00 -4.52 5.08 -1.04 -1.26 -3.47 114.28 108.37 2i96 n THR 122 Ca 0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.71 2i96 n THR 122 Cb 0.63 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 69.01 2i96 n THR 122 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2i96 s ILE 123 N 0.00 3.63 0.00 12.58 2.07 -1.26 -4.80 121.20 133.42 2i96 s ILE 123 Ca 0.00 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 2i96 s ILE 123 Cb 0.00 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 40.02 2i96 s ILE 123 CO 0.00 0.51 0.00 -0.67 -1.91 0.00 0.00 174.94 172.87 2i96 n ASP 124 N 3.49 0.00 -4.14 4.50 -0.08 -1.26 -4.78 116.55 114.28 2i96 n ASP 124 Ca -0.18 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 52.99 2i96 n ASP 124 Cb 0.53 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 2i96 n ASP 124 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2i96 s SER 125 N -0.45 1.04 0.08 1.67 0.01 -1.26 -4.94 113.70 109.85 2i96 s SER 125 Ca 0.00 -0.90 -0.33 0.00 1.31 0.00 0.00 55.95 56.03 2i96 s SER 125 Cb 0.00 0.09 -0.17 0.00 0.21 0.00 0.00 66.02 66.15 2i96 s SER 125 CO 0.00 -0.41 1.60 0.77 0.41 0.00 0.00 173.24 175.61 2i96 h SER 126 N 3.33 -0.98 0.00 2.44 4.64 -1.86 -3.42 113.55 117.70 2i96 h SER 126 Ca -0.35 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2i96 h SER 126 Cb 1.17 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2i96 h SER 126 CO 0.59 -0.59 0.00 -0.24 -0.87 0.00 0.00 176.83 175.72 2i96 n SER 127 N -5.52 0.00 0.00 4.97 2.88 -1.26 -4.81 113.62 109.88 2i96 n SER 127 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2i96 n SER 127 Cb 0.41 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2i96 n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27