#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ij0 n ALA 2 N 0.00 -2.67 -2.85 4.61 0.00 -1.23 -5.06 120.51 113.32 2ij0 n ALA 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2ij0 n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2ij0 n ALA 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ij0 s VAL 3 N -0.69 5.37 -0.13 0.00 0.11 -1.26 -4.97 120.40 118.83 2ij0 s VAL 3 Ca 0.00 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2ij0 s VAL 3 Cb 0.00 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 2ij0 s VAL 3 CO 0.00 0.60 -0.20 0.54 -3.33 0.00 0.00 175.10 172.71 2ij0 s VAL 4 N -0.85 2.34 0.30 2.04 0.11 -1.26 -3.57 120.40 119.51 2ij0 s VAL 4 Ca 0.14 -0.90 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 2ij0 s VAL 4 Cb -0.12 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.76 2ij0 s VAL 4 CO 0.03 0.54 0.32 -0.44 -3.33 0.00 0.00 175.10 172.22 2ij0 s SER 5 N 0.63 5.61 0.06 3.54 0.01 0.13 -4.17 113.70 119.50 2ij0 s SER 5 Ca -0.10 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 2ij0 s SER 5 Cb -0.16 -1.23 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 2ij0 s SER 5 CO 0.03 -0.26 0.08 -1.10 0.41 0.00 0.00 173.24 172.39 2ij0 s GLN 6 N -3.99 0.66 -0.22 12.44 -0.21 -1.26 -1.28 119.66 125.80 2ij0 s GLN 6 Ca 0.39 -0.96 -0.09 0.00 0.02 0.00 0.00 55.36 54.71 2ij0 s GLN 6 Cb -0.07 0.25 0.08 0.00 1.00 0.00 0.00 33.01 34.27 2ij0 s GLN 6 CO 0.27 -0.17 0.49 -1.58 -2.12 0.00 0.00 175.29 172.19 2ij0 s HIS 7 N -3.37 -0.86 0.17 0.91 5.65 -0.65 -4.67 115.29 112.49 2ij0 s HIS 7 Ca 0.02 1.66 -0.02 0.00 0.25 0.00 0.00 55.06 56.96 2ij0 s HIS 7 Cb 0.03 0.42 0.04 0.00 -1.18 0.00 0.00 32.58 31.89 2ij0 s HIS 7 CO -0.08 -0.47 0.24 -0.35 -0.65 0.00 0.00 174.74 173.42 2ij0 n PRO 8 N 4.88 -0.05 -0.05 2.88 -0.04 -1.26 -0.32 135.00 141.04 2ij0 n PRO 8 Ca -0.15 -0.43 0.01 0.00 -0.04 0.00 0.00 63.50 62.88 2ij0 n PRO 8 Cb 0.53 -0.22 -0.16 0.00 -0.04 0.00 0.00 33.50 33.60 2ij0 n PRO 8 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ij0 n SER 9 N -3.11 0.19 -3.68 3.54 3.41 -1.26 -4.60 113.62 108.11 2ij0 n SER 9 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 2ij0 n SER 9 Cb 0.11 1.48 -0.08 0.00 -0.26 0.00 0.00 64.21 65.46 2ij0 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ij0 s MET 10 N -2.98 0.68 -0.00 4.33 0.23 -1.26 -2.02 119.30 118.28 2ij0 s MET 10 Ca -0.09 0.55 0.00 0.00 -1.03 0.00 0.00 55.69 55.13 2ij0 s MET 10 Cb 0.10 0.33 -0.00 0.00 -1.53 0.00 0.00 34.83 33.72 2ij0 s MET 10 CO 0.84 -0.12 -0.01 0.54 -2.03 0.00 0.00 175.02 174.23 2ij0 s VAL 11 N -0.12 0.09 -0.16 5.16 0.11 -0.40 -4.96 120.40 120.12 2ij0 s VAL 11 Ca -0.03 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2ij0 s VAL 11 Cb -0.03 -0.09 0.02 0.00 -1.53 0.00 0.00 36.38 34.74 2ij0 s VAL 11 CO 0.02 0.01 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.98 2ij0 s ILE 12 N -0.06 1.98 0.32 7.04 1.01 -1.26 -1.31 121.20 128.92 2ij0 s ILE 12 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.80 2ij0 s ILE 12 Cb -0.01 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 2ij0 s ILE 12 CO -0.00 0.53 -0.01 0.68 0.00 0.00 0.00 174.94 176.14 2ij0 s VAL 13 N 1.15 1.58 0.31 2.92 -7.23 -0.57 -4.99 120.40 113.58 2ij0 s VAL 13 Ca 0.01 -2.07 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 2ij0 s VAL 13 Cb -0.14 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 2ij0 s VAL 13 CO -0.09 -0.16 0.62 -0.54 -0.31 0.00 0.00 175.10 174.63 2ij0 s LYS 14 N -3.77 3.72 0.24 4.82 1.02 -1.26 -1.11 119.74 123.40 2ij0 s LYS 14 Ca 0.33 0.22 -0.27 0.00 0.02 0.00 0.00 55.97 56.26 2ij0 s LYS 14 Cb 0.06 -2.56 -0.16 0.00 -0.52 0.00 0.00 37.83 34.65 2ij0 s LYS 14 CO 0.14 0.16 0.61 0.43 -0.92 0.00 0.00 175.35 175.77 2ij0 n SER 15 N -0.88 -0.71 0.00 2.83 7.64 -1.26 -2.78 113.62 118.46 2ij0 n SER 15 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2ij0 n SER 15 Cb 0.54 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2ij0 n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ij0 n GLY 16 N 1.82 1.48 3.98 0.23 0.00 0.47 -4.83 105.19 108.34 2ij0 n GLY 16 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2ij0 n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ij0 s THR 17 N -3.49 2.18 -0.06 2.61 -1.32 -1.12 -4.23 115.64 110.21 2ij0 s THR 17 Ca 0.00 -0.52 0.04 0.00 -1.21 0.00 0.00 61.69 60.00 2ij0 s THR 17 Cb 0.00 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2ij0 s THR 17 CO 0.00 0.00 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.29 2ij0 s SER 18 N -4.71 2.32 -0.15 8.08 1.04 -1.26 -0.50 113.70 118.52 2ij0 s SER 18 Ca 0.66 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.72 2ij0 s SER 18 Cb -0.06 -0.81 0.01 0.00 0.10 0.00 0.00 66.02 65.26 2ij0 s SER 18 CO 0.45 0.14 -0.20 -0.69 0.98 0.00 0.00 173.24 173.91 2ij0 s VAL 19 N 0.21 2.21 -0.22 5.02 1.01 0.19 -4.94 120.40 123.87 2ij0 s VAL 19 Ca -0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2ij0 s VAL 19 Cb -0.14 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2ij0 s VAL 19 CO 0.04 0.54 0.04 -0.75 0.00 0.00 0.00 175.10 174.97 2ij0 s LYS 20 N 0.86 3.68 0.03 2.72 2.20 -1.26 -1.44 119.74 126.53 2ij0 s LYS 20 Ca -0.06 -0.48 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 2ij0 s LYS 20 Cb -0.15 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 2ij0 s LYS 20 CO -0.02 -0.04 -0.23 0.42 -0.36 0.00 0.00 175.35 175.12 2ij0 s ILE 21 N 1.18 1.86 0.03 5.43 1.01 0.12 -4.73 121.20 126.10 2ij0 s ILE 21 Ca 0.04 -1.23 0.07 0.00 0.00 0.00 0.00 60.65 59.53 2ij0 s ILE 21 Cb -0.14 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2ij0 s ILE 21 CO 0.02 0.32 -0.21 -1.61 0.00 0.00 0.00 174.94 173.46 2ij0 s GLU 22 N -1.09 1.50 -0.15 2.79 2.02 0.56 0.53 118.70 124.86 2ij0 s GLU 22 Ca 0.09 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2ij0 s GLU 22 Cb -0.09 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.59 2ij0 s GLU 22 CO 0.01 0.41 -0.17 0.00 0.02 0.00 0.00 175.26 175.53 2ij0 s ARG 24 N 1.28 1.44 -0.18 0.00 1.81 -0.40 -1.08 118.95 121.81 2ij0 s ARG 24 Ca 0.02 -1.33 -0.06 0.00 -1.72 0.00 0.00 55.73 52.64 2ij0 s ARG 24 Cb -0.13 -1.91 0.08 0.00 -0.45 0.00 0.00 34.95 32.54 2ij0 s ARG 24 CO -0.09 0.46 0.37 0.45 -0.68 0.00 0.00 175.30 175.80 2ij0 s SER 25 N -1.99 -0.06 0.00 0.23 0.15 -0.72 0.20 113.70 111.51 2ij0 s SER 25 Ca 0.14 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2ij0 s SER 25 Cb -0.10 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 2ij0 s SER 25 CO 0.06 -0.24 0.62 0.00 1.20 0.00 0.00 173.24 174.88 2ij0 n LEU 26 N 5.38 0.25 -4.74 3.45 -0.00 -1.23 -4.63 117.00 115.47 2ij0 n LEU 26 Ca -0.08 0.71 -0.36 0.00 -0.00 0.00 0.00 56.01 56.29 2ij0 n LEU 26 Cb 0.49 -0.34 -0.08 0.00 -0.00 0.00 0.00 43.42 43.49 2ij0 n LEU 26 CO 0.01 -0.34 -0.25 1.51 -0.00 0.00 0.00 177.39 178.31 2ij0 s ASP 27 N -2.10 5.68 0.16 1.45 1.47 -1.26 -4.90 116.67 117.18 2ij0 s ASP 27 Ca 0.00 0.25 0.00 0.00 1.18 0.00 0.00 52.55 53.98 2ij0 s ASP 27 Cb 0.00 -1.74 0.00 0.00 -0.34 0.00 0.00 42.92 40.84 2ij0 s ASP 27 CO 0.00 0.36 0.00 0.35 0.68 0.00 0.00 175.17 176.56 2ij0 n THR 27 N 2.26 0.00 0.00 2.11 -2.24 -1.26 -3.49 114.28 111.66 2ij0 n THR 27 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2ij0 n THR 27 Cb 0.54 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2ij0 n THR 27 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ij0 n ASN 28 N -2.88 0.00 -2.36 3.42 5.03 -1.26 -5.02 115.26 112.18 2ij0 n ASN 28 Ca 0.00 0.27 -0.01 0.00 0.87 0.00 0.00 54.58 55.71 2ij0 n ASN 28 Cb 0.00 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 38.57 2ij0 n ASN 28 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2ij0 n ILE 29 N -1.05 -9.48 0.56 2.41 5.41 -1.26 -4.96 119.36 110.99 2ij0 n ILE 29 Ca 0.00 2.19 0.06 0.00 1.00 0.00 0.00 62.75 66.00 2ij0 n ILE 29 Cb 0.00 -4.88 0.00 0.00 -0.71 0.00 0.00 39.64 34.06 2ij0 n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ij0 n HIS 30 N 1.92 0.00 -3.66 1.39 1.44 -1.14 -4.86 115.22 110.31 2ij0 n HIS 30 Ca -0.07 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.57 2ij0 n HIS 30 Cb 0.10 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.13 2ij0 n HIS 30 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2ij0 s THR 31 N -1.54 -0.26 -0.12 0.61 2.01 -1.26 -2.17 115.64 112.92 2ij0 s THR 31 Ca 0.11 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 2ij0 s THR 31 Cb 0.10 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 2ij0 s THR 31 CO 0.30 0.02 0.01 -0.04 -0.69 0.00 0.00 174.62 174.22 2ij0 s MET 32 N 1.91 3.32 0.10 4.92 -1.94 -0.78 -1.81 119.30 125.01 2ij0 s MET 32 Ca -0.08 -0.41 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 2ij0 s MET 32 Cb -0.08 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 2ij0 s MET 32 CO -0.17 0.54 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.29 2ij0 s PHE 33 N -0.42 2.90 -0.05 -0.03 0.40 0.10 -0.85 117.98 120.03 2ij0 s PHE 33 Ca 0.08 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 2ij0 s PHE 33 Cb -0.12 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 2ij0 s PHE 33 CO 0.02 0.47 -0.20 -1.58 0.70 0.00 0.00 175.22 174.63 2ij0 s TRP 34 N -1.31 1.94 0.07 0.36 0.52 0.17 -1.37 118.94 119.32 2ij0 s TRP 34 Ca 0.24 -0.56 0.05 0.00 0.02 0.00 0.00 56.10 55.86 2ij0 s TRP 34 Cb -0.11 -1.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 2ij0 s TRP 34 CO 0.17 -0.18 -0.15 0.71 0.02 0.00 0.00 176.95 177.53 2ij0 s TYR 35 N -0.05 1.25 -0.11 -1.98 2.02 0.15 -0.52 117.35 118.10 2ij0 s TYR 35 Ca -0.03 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2ij0 s TYR 35 Cb -0.12 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 2ij0 s TYR 35 CO 0.03 0.06 0.02 0.50 -1.57 0.00 0.00 175.55 174.59 2ij0 s ARG 36 N -1.67 0.57 -0.30 -0.62 3.52 0.26 -0.66 118.95 120.05 2ij0 s ARG 36 Ca -0.01 -0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.44 2ij0 s ARG 36 Cb -0.10 -1.35 -0.01 0.00 -1.56 0.00 0.00 34.95 31.93 2ij0 s ARG 36 CO 0.02 -0.43 0.14 -1.14 -0.81 0.00 0.00 175.30 173.08 2ij0 s GLN 37 N 1.96 3.42 0.67 5.12 0.74 -0.33 -1.95 119.66 129.28 2ij0 s GLN 37 Ca 0.03 -0.66 -0.12 0.00 0.05 0.00 0.00 55.36 54.67 2ij0 s GLN 37 Cb -0.14 -3.52 -0.00 0.00 1.10 0.00 0.00 33.01 30.45 2ij0 s GLN 37 CO -0.06 -0.36 1.05 -0.06 -0.55 0.00 0.00 175.29 175.31 2ij0 s PHE 38 N 1.62 3.15 0.39 1.67 0.08 -1.26 -1.95 117.98 121.68 2ij0 s PHE 38 Ca 0.05 1.42 -0.27 0.00 0.12 0.00 0.00 56.93 58.25 2ij0 s PHE 38 Cb -0.17 -2.88 -0.09 0.00 -0.57 0.00 0.00 43.02 39.31 2ij0 s PHE 38 CO 0.06 -1.15 1.33 -2.14 -0.10 0.00 0.00 175.22 173.22 2ij0 s PRO 39 N -4.90 4.05 -0.51 0.24 0.02 -1.26 -2.63 135.00 130.01 2ij0 s PRO 39 Ca 0.59 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2ij0 s PRO 39 Cb -0.14 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.53 2ij0 s PRO 39 CO 0.52 -0.45 0.00 1.63 -0.33 0.00 0.00 177.00 178.37 2ij0 n LYS 40 N 0.30 -0.92 -4.33 5.54 5.02 -1.26 -4.96 118.16 117.56 2ij0 n LYS 40 Ca 0.03 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.66 2ij0 n LYS 40 Cb 0.43 -4.40 -0.08 0.00 -0.02 0.00 0.00 35.03 30.95 2ij0 n LYS 40 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ij0 s GLN 41 N -1.88 1.72 0.42 1.97 -0.21 -1.08 -5.16 119.66 115.44 2ij0 s GLN 41 Ca 0.00 -2.00 -0.16 0.00 0.02 0.00 0.00 55.36 53.22 2ij0 s GLN 41 Cb 0.00 0.09 -0.08 0.00 1.00 0.00 0.00 33.01 34.01 2ij0 s GLN 41 CO 0.00 -0.57 0.86 -1.12 -2.12 0.00 0.00 175.29 172.34 2ij0 s SER 42 N -3.40 6.71 -0.05 5.90 0.01 -1.26 -4.51 113.70 117.10 2ij0 s SER 42 Ca 0.37 1.41 -0.30 0.00 1.31 0.00 0.00 55.95 58.73 2ij0 s SER 42 Cb 0.03 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2ij0 s SER 42 CO 0.22 -0.39 1.39 -0.22 0.41 0.00 0.00 173.24 174.66 2ij0 s LEU 43 N -3.52 4.28 -0.03 2.44 2.96 -1.26 -4.01 118.68 119.54 2ij0 s LEU 43 Ca 0.56 2.00 0.02 0.00 -0.22 0.00 0.00 54.13 56.49 2ij0 s LEU 43 Cb -0.10 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.05 2ij0 s LEU 43 CO 0.23 -0.75 -0.06 -0.04 -1.32 0.00 0.00 176.35 174.42 2ij0 s MET 44 N 2.89 0.77 0.20 1.98 -1.94 -0.82 -4.93 119.30 117.45 2ij0 s MET 44 Ca 0.62 -0.18 -0.31 0.00 -1.71 0.00 0.00 55.69 54.11 2ij0 s MET 44 Cb -0.29 -0.75 -0.10 0.00 2.01 0.00 0.00 34.83 35.70 2ij0 s MET 44 CO 0.24 0.03 1.54 -1.17 -0.01 0.00 0.00 175.02 175.64 2ij0 s LEU 45 N 0.45 4.37 -0.21 -0.03 2.96 -1.26 -0.57 118.68 124.38 2ij0 s LEU 45 Ca -0.06 2.66 0.03 0.00 -0.22 0.00 0.00 54.13 56.54 2ij0 s LEU 45 Cb -0.10 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 2ij0 s LEU 45 CO 0.00 -0.80 -0.16 1.15 -1.32 0.00 0.00 176.35 175.22 2ij0 n MET 46 N 3.36 0.62 -3.52 1.98 -0.00 0.32 -4.75 117.12 115.13 2ij0 n MET 46 Ca 0.11 0.11 -0.16 0.00 -0.00 0.00 0.00 57.70 57.77 2ij0 n MET 46 Cb 0.39 -1.43 -0.05 0.00 -0.00 0.00 0.00 33.22 32.13 2ij0 n MET 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ij0 s ALA 47 N -2.43 -1.60 -0.10 3.17 0.00 -1.05 -0.26 121.76 119.49 2ij0 s ALA 47 Ca -0.27 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.65 2ij0 s ALA 47 Cb 0.07 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.49 2ij0 s ALA 47 CO 0.52 -0.49 -0.16 -0.08 0.00 0.00 0.00 175.76 175.55 2ij0 s THR 48 N -2.05 1.56 -0.40 0.00 -1.32 -0.25 -0.65 115.64 112.53 2ij0 s THR 48 Ca -0.07 -0.69 -0.06 0.00 -1.21 0.00 0.00 61.69 59.66 2ij0 s THR 48 Cb -0.01 -1.40 0.09 0.00 -1.51 0.00 0.00 72.50 69.67 2ij0 s THR 48 CO 0.02 0.45 0.20 -0.55 -2.21 0.00 0.00 174.62 172.53 2ij0 s SER 49 N 0.82 5.39 0.51 8.08 0.15 -0.03 -0.58 113.70 128.04 2ij0 s SER 49 Ca -0.10 -1.67 -0.18 0.00 0.70 0.00 0.00 55.95 54.69 2ij0 s SER 49 Cb -0.16 -1.89 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 2ij0 s SER 49 CO 0.01 -0.50 1.02 -1.00 1.20 0.00 0.00 173.24 173.96 2ij0 s HIS 50 N 1.29 3.14 0.44 3.44 3.76 -1.26 -1.87 115.29 124.23 2ij0 s HIS 50 Ca 0.04 1.54 0.10 0.00 -0.15 0.00 0.00 55.06 56.58 2ij0 s HIS 50 Cb -0.23 -2.96 0.96 0.00 1.11 0.00 0.00 32.58 31.47 2ij0 s HIS 50 CO -0.01 -0.69 2.07 -0.56 -0.85 0.00 0.00 174.74 174.70 2ij0 h GLN 51 N 1.18 0.38 0.00 1.40 3.07 -1.77 -2.47 115.11 116.90 2ij0 h GLN 51 Ca -0.48 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.21 2ij0 h GLN 51 Cb 1.21 -0.08 -0.04 0.00 0.08 0.00 0.00 27.48 28.64 2ij0 h GLN 51 CO 0.59 0.27 -0.46 0.41 0.09 0.00 0.00 178.83 179.73 2ij0 n GLY 52 N -1.44 4.48 3.53 0.06 0.00 -1.26 -5.00 105.19 105.56 2ij0 n GLY 52 Ca 0.01 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 2ij0 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ij0 s PHE 52 N -2.70 2.23 0.68 1.61 0.40 -0.93 -5.14 117.98 114.13 2ij0 s PHE 52 Ca 0.35 -0.82 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 2ij0 s PHE 52 Cb 0.34 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.35 2ij0 s PHE 52 CO -0.06 0.22 1.06 -0.80 0.70 0.00 0.00 175.22 176.34 2ij0 s ASN 53 N -3.59 5.58 0.55 1.36 0.01 -1.26 -4.61 114.94 112.97 2ij0 s ASN 53 Ca 0.36 1.47 -0.17 0.00 -0.71 0.00 0.00 52.86 53.81 2ij0 s ASN 53 Cb 0.09 -2.39 -0.06 0.00 0.41 0.00 0.00 41.25 39.31 2ij0 s ASN 53 CO 0.17 -1.30 1.04 0.00 -1.51 0.00 0.00 177.10 175.50 2ij0 s ALA 54 N -3.13 2.82 -0.27 0.60 0.00 -1.26 -4.60 121.76 115.91 2ij0 s ALA 54 Ca 0.57 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 2ij0 s ALA 54 Cb -0.13 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2ij0 s ALA 54 CO 0.54 -0.58 0.05 0.42 0.00 0.00 0.00 175.76 176.19 2ij0 s ILE 55 N -2.30 3.83 -0.01 0.00 1.01 0.26 -4.93 121.20 119.05 2ij0 s ILE 55 Ca 0.64 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 2ij0 s ILE 55 Cb -0.16 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2ij0 s ILE 55 CO 0.30 0.17 0.38 -0.31 0.00 0.00 0.00 174.94 175.48 2ij0 s TYR 56 N 1.50 3.71 0.84 3.97 1.51 -1.26 -1.09 117.35 126.52 2ij0 s TYR 56 Ca 0.03 0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 56.92 2ij0 s TYR 56 Cb -0.16 -2.25 0.13 0.00 -0.11 0.00 0.00 41.96 39.57 2ij0 s TYR 56 CO 0.01 0.65 1.18 -1.21 -1.11 0.00 0.00 175.55 175.07 2ij0 s GLU 57 N -1.11 1.42 0.16 -0.62 0.41 0.64 -4.96 118.70 114.64 2ij0 s GLU 57 Ca 0.23 -0.37 -0.31 0.00 -0.41 0.00 0.00 54.97 54.12 2ij0 s GLU 57 Cb -0.16 -2.01 -0.08 0.00 -1.78 0.00 0.00 34.13 30.09 2ij0 s GLU 57 CO 0.13 -1.84 1.36 -1.14 -0.49 0.00 0.00 175.26 173.27 2ij0 s GLN 58 N -5.57 4.35 0.00 1.61 0.74 -1.26 -2.70 119.66 116.83 2ij0 s GLN 58 Ca 0.67 2.08 0.00 0.00 0.05 0.00 0.00 55.36 58.16 2ij0 s GLN 58 Cb -0.07 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.82 2ij0 s GLN 58 CO 0.49 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 2ij0 n GLY 59 N 2.90 0.61 3.69 2.59 0.00 -1.26 -5.04 105.19 108.67 2ij0 n GLY 59 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2ij0 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ij0 s VAL 60 N -2.17 5.19 -0.05 1.61 1.01 -1.10 -5.09 120.40 119.81 2ij0 s VAL 60 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2ij0 s VAL 60 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2ij0 s VAL 60 CO 0.00 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.73 2ij0 s VAL 61 N 0.44 3.25 0.44 2.92 1.01 -1.26 -4.69 120.40 122.51 2ij0 s VAL 61 Ca 0.06 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.48 2ij0 s VAL 61 Cb -0.12 -2.30 0.24 0.00 0.00 0.00 0.00 36.38 34.21 2ij0 s VAL 61 CO -0.01 0.58 2.05 0.07 0.00 0.00 0.00 175.10 177.79 2ij0 h LYS 62 N 5.27 0.30 0.00 2.72 2.10 -1.99 -0.92 116.57 124.04 2ij0 h LYS 62 Ca -0.47 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.09 2ij0 h LYS 62 Cb 1.16 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2ij0 h LYS 62 CO 0.51 0.25 -0.80 0.38 -2.00 0.00 0.00 179.45 177.80 2ij0 h ASP 63 N 0.30 0.00 0.09 7.07 2.03 -1.97 -2.80 116.42 121.15 2ij0 h ASP 63 Ca 0.08 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.18 2ij0 h ASP 63 Cb 0.07 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.59 2ij0 h ASP 63 CO -0.01 0.21 -0.82 0.50 -1.03 0.00 0.00 179.24 178.09 2ij0 h LYS 64 N 0.00 0.39 -3.16 4.15 1.63 -1.78 -3.41 116.57 114.39 2ij0 h LYS 64 Ca -0.04 -0.55 -0.63 0.00 -0.85 0.00 0.00 60.65 58.59 2ij0 h LYS 64 Cb 1.19 0.19 -0.41 0.00 -0.60 0.00 0.00 32.23 32.60 2ij0 h LYS 64 CO 0.02 1.22 -0.62 -0.06 -3.45 0.00 0.00 179.45 176.56 2ij0 s PHE 65 N -2.78 3.25 0.03 1.91 0.08 -0.40 -1.40 117.98 118.68 2ij0 s PHE 65 Ca -0.13 -3.20 -0.30 0.00 0.12 0.00 0.00 56.93 53.42 2ij0 s PHE 65 Cb 0.02 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2ij0 s PHE 65 CO 0.85 -0.64 1.10 -0.51 -0.10 0.00 0.00 175.22 175.92 2ij0 s LEU 66 N -0.89 4.37 -0.17 -0.37 1.43 -0.20 -4.64 118.68 118.22 2ij0 s LEU 66 Ca 0.22 1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 55.16 2ij0 s LEU 66 Cb -0.13 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2ij0 s LEU 66 CO -0.10 -0.38 -0.10 -0.63 0.23 0.00 0.00 176.35 175.38 2ij0 s ILE 67 N 1.05 3.17 -0.21 -0.59 1.01 -1.26 -0.75 121.20 123.62 2ij0 s ILE 67 Ca 0.56 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2ij0 s ILE 67 Cb -0.26 -2.38 0.05 0.00 0.01 0.00 0.00 42.46 39.89 2ij0 s ILE 67 CO 0.29 0.49 -0.07 0.21 0.00 0.00 0.00 174.94 175.85 2ij0 s ASN 68 N 0.79 3.59 -0.95 3.58 3.84 -0.33 -4.76 114.94 120.70 2ij0 s ASN 68 Ca -0.04 -1.02 -0.02 0.00 0.21 0.00 0.00 52.86 51.99 2ij0 s ASN 68 Cb -0.15 -1.17 0.26 0.00 -0.55 0.00 0.00 41.25 39.64 2ij0 s ASN 68 CO 0.01 -0.20 2.10 1.57 -2.79 0.00 0.00 177.10 177.80 2ij0 n HIS 69 N 4.70 2.66 0.00 0.43 -0.00 -1.26 -0.56 115.22 121.18 2ij0 n HIS 69 Ca -0.13 -2.45 0.00 0.00 -0.00 0.00 0.00 57.72 55.14 2ij0 n HIS 69 Cb 0.45 -1.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.12 2ij0 n HIS 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ij0 n ALA 70 N 0.19 0.00 -1.68 1.57 0.00 -1.17 -4.58 120.51 114.83 2ij0 n ALA 70 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 2ij0 n ALA 70 Cb 0.29 0.10 0.08 0.00 0.00 0.00 0.00 19.45 19.91 2ij0 n ALA 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ij0 s SER 71 N -2.51 4.79 0.57 0.00 1.04 -1.24 -4.96 113.70 111.39 2ij0 s SER 71 Ca 0.00 1.21 0.37 0.00 0.48 0.00 0.00 55.95 58.01 2ij0 s SER 71 Cb 0.00 -1.96 1.72 0.00 0.10 0.00 0.00 66.02 65.89 2ij0 s SER 71 CO 0.00 -1.77 2.10 1.55 0.98 0.00 0.00 173.24 176.10 2ij0 h PRO 72 N -0.95 0.00 0.00 4.02 0.13 -1.95 -3.12 132.00 130.14 2ij0 h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ij0 h PRO 72 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ij0 h PRO 72 CO 0.61 0.00 -1.29 0.25 -0.23 0.00 0.00 178.00 177.35 2ij0 n THR 73 N -3.00 0.00 -4.23 1.56 -2.24 -1.26 -4.94 114.28 100.18 2ij0 n THR 73 Ca -0.01 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2ij0 n THR 73 Cb 0.21 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 68.88 2ij0 n THR 73 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ij0 s LEU 74 N -3.48 2.46 -0.11 3.22 1.98 -1.18 -1.76 118.68 119.82 2ij0 s LEU 74 Ca 0.01 -0.51 0.02 0.00 -2.89 0.00 0.00 54.13 50.76 2ij0 s LEU 74 Cb 0.13 -1.58 -0.01 0.00 0.66 0.00 0.00 46.19 45.39 2ij0 s LEU 74 CO 0.75 0.03 -0.19 -0.55 -1.89 0.00 0.00 176.35 174.49 2ij0 s SER 75 N 1.15 3.50 -0.01 3.68 0.15 -0.25 -3.07 113.70 118.86 2ij0 s SER 75 Ca 0.01 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.24 2ij0 s SER 75 Cb -0.14 -1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 62.66 2ij0 s SER 75 CO -0.05 0.17 -0.09 0.42 1.20 0.00 0.00 173.24 174.88 2ij0 s THR 76 N 0.31 3.49 -0.11 6.45 -4.23 0.27 -0.31 115.64 121.51 2ij0 s THR 76 Ca -0.15 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2ij0 s THR 76 Cb -0.17 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 2ij0 s THR 76 CO 0.07 0.45 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.24 2ij0 s LEU 77 N -1.23 2.67 -0.17 4.79 2.96 0.19 -1.19 118.68 126.69 2ij0 s LEU 77 Ca 0.15 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2ij0 s LEU 77 Cb -0.11 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.02 2ij0 s LEU 77 CO 0.05 0.20 -0.17 0.42 -1.32 0.00 0.00 176.35 175.53 2ij0 s THR 78 N 0.15 1.85 -0.26 3.68 -4.23 0.07 0.16 115.64 117.06 2ij0 s THR 78 Ca -0.08 -0.85 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 2ij0 s THR 78 Cb -0.15 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 2ij0 s THR 78 CO 0.05 0.46 0.73 0.54 -0.54 0.00 0.00 174.62 175.86 2ij0 s VAL 79 N 1.37 4.89 0.37 2.29 0.11 -0.52 -1.03 120.40 127.88 2ij0 s VAL 79 Ca 0.04 1.29 0.07 0.00 -2.93 0.00 0.00 61.98 60.45 2ij0 s VAL 79 Cb -0.13 -4.04 -0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2ij0 s VAL 79 CO -0.11 -0.07 0.52 0.42 -3.33 0.00 0.00 175.10 172.52 2ij0 s THR 80 N 2.71 3.61 -1.48 5.04 -4.23 -0.49 -0.64 115.64 120.16 2ij0 s THR 80 Ca 0.30 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2ij0 s THR 80 Cb -0.15 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2ij0 s THR 80 CO 0.09 -0.09 0.17 -0.24 -0.54 0.00 0.00 174.62 174.01 2ij0 n SER 81 N -1.74 0.22 -4.68 3.99 2.88 -0.97 -4.77 113.62 108.55 2ij0 n SER 81 Ca 0.03 -1.20 -0.42 0.00 -1.33 0.00 0.00 58.87 55.96 2ij0 n SER 81 Cb 0.58 -2.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 2ij0 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ij0 n ALA 82 N -4.55 1.11 -2.67 -1.46 0.00 0.34 -4.38 120.51 108.89 2ij0 n ALA 82 Ca -0.31 0.31 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2ij0 n ALA 82 Cb 0.69 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.77 2ij0 n ALA 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ij0 s HIS 83 N -1.16 1.05 0.45 0.00 5.65 -1.26 0.18 115.29 120.20 2ij0 s HIS 83 Ca 0.59 -0.31 0.35 0.00 0.25 0.00 0.00 55.06 55.95 2ij0 s HIS 83 Cb -0.55 -0.64 1.51 0.00 -1.18 0.00 0.00 32.58 31.73 2ij0 s HIS 83 CO 0.60 0.01 1.53 -2.30 -0.65 0.00 0.00 174.74 173.92 2ij0 n PRO 84 N 2.16 -0.03 0.00 2.88 -0.02 -1.26 -0.41 135.00 138.32 2ij0 n PRO 84 Ca -0.17 1.20 0.08 0.00 -2.02 0.00 0.00 63.50 62.58 2ij0 n PRO 84 Cb 0.55 -2.43 0.35 0.00 -0.02 0.00 0.00 33.50 31.95 2ij0 n PRO 84 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ij0 n GLU 85 N -4.51 0.00 0.00 -0.52 0.28 -1.26 -2.17 120.64 112.46 2ij0 n GLU 85 Ca 0.40 0.22 0.12 0.00 -0.16 0.00 0.00 57.16 57.75 2ij0 n GLU 85 Cb 1.63 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 33.32 2ij0 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ij0 n ASP 86 N -1.50 0.41 -4.58 -1.84 8.00 0.45 -4.89 116.55 112.60 2ij0 n ASP 86 Ca 0.04 -0.07 -0.48 0.00 0.71 0.00 0.00 54.79 54.99 2ij0 n ASP 86 Cb 0.19 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 2ij0 n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2ij0 n SER 87 N -1.54 1.34 0.00 -2.24 7.64 -0.92 -4.89 113.62 113.01 2ij0 n SER 87 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2ij0 n SER 87 Cb 0.34 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2ij0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ij0 n GLY 88 N 1.92 -0.14 3.68 0.23 0.00 -0.28 -4.45 105.19 106.16 2ij0 n GLY 88 Ca 0.14 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 2ij0 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ij0 s PHE 89 N -2.00 3.42 -0.25 1.61 5.36 -0.82 -0.13 117.98 125.18 2ij0 s PHE 89 Ca 0.00 0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 56.75 2ij0 s PHE 89 Cb 0.00 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 2ij0 s PHE 89 CO 0.00 -0.01 -0.01 0.71 -1.46 0.00 0.00 175.22 174.46 2ij0 s TYR 90 N 1.28 3.04 -0.08 10.12 1.51 0.21 -1.19 117.35 132.23 2ij0 s TYR 90 Ca 0.25 -1.01 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 2ij0 s TYR 90 Cb -0.15 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 2ij0 s TYR 90 CO 0.10 -0.57 -0.16 0.54 -1.11 0.00 0.00 175.55 174.35 2ij0 s VAL 91 N 1.47 1.45 0.62 0.71 0.11 0.16 -1.55 120.40 123.37 2ij0 s VAL 91 Ca 0.04 -0.66 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2ij0 s VAL 91 Cb -0.15 -1.29 0.09 0.00 -1.53 0.00 0.00 36.38 33.49 2ij0 s VAL 91 CO -0.01 0.43 0.86 0.00 -3.33 0.00 0.00 175.10 173.04 2ij0 s SER 93 N -4.65 -0.36 0.12 0.00 1.04 -0.47 -1.56 113.70 107.83 2ij0 s SER 93 Ca 0.63 0.49 0.06 0.00 0.48 0.00 0.00 55.95 57.60 2ij0 s SER 93 Cb -0.06 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2ij0 s SER 93 CO 0.41 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 174.37 2ij0 s ALA 94 N -0.72 3.27 0.16 5.32 0.00 0.15 0.02 121.76 129.96 2ij0 s ALA 94 Ca 0.00 -1.20 0.10 0.00 0.00 0.00 0.00 51.96 50.86 2ij0 s ALA 94 Cb -0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2ij0 s ALA 94 CO -0.02 0.62 -0.23 -0.48 0.00 0.00 0.00 175.76 175.65 2ij0 s LEU 95 N -2.55 2.38 -0.23 0.00 0.05 -0.75 0.38 118.68 117.96 2ij0 s LEU 95 Ca 0.26 -0.80 -0.09 0.00 0.05 0.00 0.00 54.13 53.55 2ij0 s LEU 95 Cb -0.11 -1.07 -0.04 0.00 -2.05 0.00 0.00 46.19 42.91 2ij0 s LEU 95 CO 0.19 0.10 0.12 0.00 -0.55 0.00 0.00 176.35 176.21 2ij0 s ALA 96 N -1.48 3.48 0.83 1.48 0.00 -1.25 -2.89 121.76 121.94 2ij0 s ALA 96 Ca 0.16 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 2ij0 s ALA 96 Cb -0.08 -2.19 0.09 0.00 0.00 0.00 0.00 23.12 20.93 2ij0 s ALA 96 CO 0.07 -0.17 1.09 0.20 0.00 0.00 0.00 175.76 176.96 2ij0 s GLY 97 N 1.01 1.64 -0.09 0.00 0.00 -1.26 -4.67 107.32 103.94 2ij0 s GLY 97 Ca 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 2ij0 s GLY 97 CO 0.04 0.45 -0.16 1.44 0.00 0.00 0.00 173.10 174.87 2ij0 n SER 98 N -3.67 1.03 0.00 1.64 7.64 -1.26 -5.06 113.62 113.94 2ij0 n SER 98 Ca 0.08 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2ij0 n SER 98 Cb 0.55 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2ij0 n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ij0 n GLY 99 N 1.54 1.20 0.00 0.23 0.00 -1.26 -4.90 105.19 102.01 2ij0 n GLY 99 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2ij0 n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ij0 n SER 100 N -2.26 0.00 -1.77 1.61 7.64 -1.26 -5.04 113.62 112.54 2ij0 n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2ij0 n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2ij0 n SER 100 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ij0 n SER 101 N -0.35 -7.52 -3.51 6.43 7.64 -1.26 -4.91 113.62 110.13 2ij0 n SER 101 Ca 0.00 1.13 -0.16 0.00 1.01 0.00 0.00 58.87 60.85 2ij0 n SER 101 Cb 0.00 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 2ij0 n SER 101 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ij0 n THR 102 N 1.49 -6.05 -3.45 0.44 -2.24 -1.26 -5.03 114.28 98.19 2ij0 n THR 102 Ca 0.00 -0.15 0.01 0.00 -2.27 0.00 0.00 64.05 61.64 2ij0 n THR 102 Cb 0.00 -4.52 -0.05 0.00 -2.10 0.00 0.00 70.33 63.67 2ij0 n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ij0 s ASP 103 N -3.02 -0.48 0.28 3.42 3.68 -1.26 -4.88 116.67 114.41 2ij0 s ASP 103 Ca 0.03 0.68 -0.29 0.00 2.13 0.00 0.00 52.55 55.10 2ij0 s ASP 103 Cb -0.01 1.46 -0.09 0.00 -1.45 0.00 0.00 42.92 42.82 2ij0 s ASP 103 CO 0.84 -0.10 1.05 -0.89 0.13 0.00 0.00 175.17 176.21 2ij0 s THR 105 N 2.07 3.65 -0.18 1.71 2.01 -1.26 -4.97 115.64 118.67 2ij0 s THR 105 Ca -0.04 1.63 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 2ij0 s THR 105 Cb -0.05 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2ij0 s THR 105 CO -0.16 0.36 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.50 2ij0 s GLN 106 N -1.47 3.49 -0.21 4.92 0.74 -1.26 -3.77 119.66 122.11 2ij0 s GLN 106 Ca 0.45 -0.59 -0.09 0.00 0.05 0.00 0.00 55.36 55.18 2ij0 s GLN 106 Cb -0.30 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 2ij0 s GLN 106 CO 0.38 0.04 0.10 0.71 -0.55 0.00 0.00 175.29 175.97 2ij0 s TYR 107 N 0.86 3.26 0.15 1.67 1.51 0.16 -4.91 117.35 120.05 2ij0 s TYR 107 Ca -0.01 0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2ij0 s TYR 107 Cb -0.15 -2.17 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 2ij0 s TYR 107 CO 0.01 0.07 0.36 -0.06 -1.11 0.00 0.00 175.55 174.82 2ij0 s PHE 108 N 0.76 3.48 0.82 2.71 0.40 -1.26 0.30 117.98 125.19 2ij0 s PHE 108 Ca 0.05 0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 56.72 2ij0 s PHE 108 Cb -0.13 -1.93 0.09 0.00 0.51 0.00 0.00 43.02 41.55 2ij0 s PHE 108 CO 0.02 0.44 1.16 0.20 0.70 0.00 0.00 175.22 177.73 2ij0 s GLY 109 N -2.64 1.59 0.50 4.36 0.00 -0.60 -4.47 107.32 106.07 2ij0 s GLY 109 Ca 0.40 -0.56 0.31 0.00 0.00 0.00 0.00 44.72 44.87 2ij0 s GLY 109 CO 0.26 -0.07 1.90 -0.56 0.00 0.00 0.00 173.10 174.63 2ij0 h PRO 110 N -1.12 0.00 0.00 2.90 0.13 -1.88 -3.45 132.00 128.58 2ij0 h PRO 110 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ij0 h PRO 110 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2ij0 h PRO 110 CO 0.64 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 2ij0 n GLY 111 N 0.24 1.19 2.88 1.56 0.00 -1.26 -5.05 105.19 104.75 2ij0 n GLY 111 Ca 0.01 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 2ij0 n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ij0 s THR 112 N -2.90 -0.10 -0.13 2.61 -1.32 -0.60 -4.75 115.64 108.45 2ij0 s THR 112 Ca 0.00 0.23 -0.24 0.00 -1.21 0.00 0.00 61.69 60.47 2ij0 s THR 112 Cb 0.00 -0.24 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 2ij0 s THR 112 CO 0.00 0.10 0.77 -1.10 -2.21 0.00 0.00 174.62 172.18 2ij0 s GLN 113 N 1.47 4.35 -0.13 7.08 -1.52 -0.86 0.66 119.66 130.72 2ij0 s GLN 113 Ca -0.06 0.95 -0.02 0.00 -1.95 0.00 0.00 55.36 54.28 2ij0 s GLN 113 Cb -0.12 -3.53 -0.03 0.00 -0.22 0.00 0.00 33.01 29.12 2ij0 s GLN 113 CO -0.06 -0.17 -0.06 -1.17 -0.25 0.00 0.00 175.29 173.59 2ij0 s LEU 114 N 1.60 3.17 -0.11 2.90 2.96 0.81 -1.28 118.68 128.74 2ij0 s LEU 114 Ca 0.38 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 2ij0 s LEU 114 Cb -0.17 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.79 2ij0 s LEU 114 CO 0.15 0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.35 2ij0 s THR 115 N 0.03 1.59 -0.15 3.68 2.01 -0.43 -1.12 115.64 121.24 2ij0 s THR 115 Ca -0.00 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2ij0 s THR 115 Cb -0.14 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2ij0 s THR 115 CO 0.03 0.46 -0.12 0.54 -0.69 0.00 0.00 174.62 174.83 2ij0 s VAL 116 N 0.85 2.96 -2.20 3.82 0.11 -1.26 -1.50 120.40 123.17 2ij0 s VAL 116 Ca -0.09 -0.67 0.30 0.00 -2.93 0.00 0.00 61.98 58.59 2ij0 s VAL 116 Cb -0.15 -2.26 0.77 0.00 -1.53 0.00 0.00 36.38 33.20 2ij0 s VAL 116 CO 0.00 0.50 2.04 0.18 -3.33 0.00 0.00 175.10 174.49