#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 -2.87 -2.61 4.61 0.00 -1.26 -5.03 120.51 113.34 2ij0 n ALA 2 Ca 0.00 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 2ij0 n ALA 2 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.31 4.51 -0.31 0.00 0.11 -1.26 -4.95 120.40 117.20 2ij0 s VAL 3 Ca 0.02 1.31 -0.12 0.00 -2.93 0.00 0.00 61.98 60.27 2ij0 s VAL 3 Cb -0.01 -4.39 -0.03 0.00 -1.53 0.00 0.00 36.38 30.42 2ij0 s VAL 3 CO 0.07 -0.60 0.21 0.54 -3.33 0.00 0.00 175.10 171.99 2ij0 s VAL 4 N 3.66 5.24 0.32 2.04 0.11 -1.26 -3.83 120.40 126.67 2ij0 s VAL 4 Ca 0.41 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.44 2ij0 s VAL 4 Cb -0.11 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 2ij0 s VAL 4 CO 0.20 0.13 0.50 -0.44 -3.33 0.00 0.00 175.10 172.16 2ij0 s SER 5 N 1.73 6.31 0.12 3.54 0.01 -0.60 -4.06 113.70 120.75 2ij0 s SER 5 Ca 0.06 0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.81 2ij0 s SER 5 Cb -0.17 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 2ij0 s SER 5 CO 0.10 -0.23 -0.23 -1.10 0.41 0.00 0.00 173.24 172.19 2ij0 s GLN 6 N -4.16 1.25 -0.10 12.44 -0.21 -1.26 -1.36 119.66 126.26 2ij0 s GLN 6 Ca 0.39 -1.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.47 2ij0 s GLN 6 Cb -0.10 -1.60 0.05 0.00 1.00 0.00 0.00 33.01 32.36 2ij0 s GLN 6 CO 0.34 0.37 0.21 -1.58 -2.12 0.00 0.00 175.29 172.51 2ij0 s HIS 7 N -1.19 -0.28 0.77 0.91 5.65 -1.06 -4.48 115.29 115.62 2ij0 s HIS 7 Ca 0.10 0.71 -0.05 0.00 0.25 0.00 0.00 55.06 56.07 2ij0 s HIS 7 Cb -0.10 -0.04 0.13 0.00 -1.18 0.00 0.00 32.58 31.39 2ij0 s HIS 7 CO 0.05 -0.24 1.07 -1.25 -0.65 0.00 0.00 174.74 173.73 2ij0 s PRO 8 N 1.56 1.50 0.16 2.88 0.04 -1.26 -0.03 135.00 139.85 2ij0 s PRO 8 Ca -0.06 -0.82 0.05 0.00 0.04 0.00 0.00 61.00 60.21 2ij0 s PRO 8 Cb -0.11 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2ij0 s PRO 8 CO -0.07 -1.65 1.37 0.66 0.04 0.00 0.00 177.00 177.35 2ij0 h SER 9 N -0.80 0.14 -4.56 6.66 4.64 -1.84 -3.42 113.55 114.38 2ij0 h SER 9 Ca -0.40 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 60.70 2ij0 h SER 9 Cb 1.27 -0.04 -0.21 0.00 -0.31 0.00 0.00 62.40 63.10 2ij0 h SER 9 CO 0.42 0.96 -0.12 -0.32 -0.87 0.00 0.00 176.83 176.91 2ij0 s MET 10 N -3.09 0.71 -0.08 4.77 -2.45 -1.26 -1.02 119.30 116.89 2ij0 s MET 10 Ca -0.01 0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 54.64 2ij0 s MET 10 Cb 0.10 0.33 0.03 0.00 1.25 0.00 0.00 34.83 36.55 2ij0 s MET 10 CO 0.82 -0.17 0.18 0.54 1.05 0.00 0.00 175.02 177.44 2ij0 s VAL 11 N -0.66 -0.03 -0.12 10.11 0.11 -0.03 -4.94 120.40 124.84 2ij0 s VAL 11 Ca -0.08 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2ij0 s VAL 11 Cb -0.03 -0.28 -0.00 0.00 -1.53 0.00 0.00 36.38 34.54 2ij0 s VAL 11 CO 0.04 0.05 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.03 2ij0 s ILE 12 N 0.85 2.39 0.32 7.04 1.01 -1.26 -1.38 121.20 130.16 2ij0 s ILE 12 Ca -0.06 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2ij0 s ILE 12 Cb -0.08 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2ij0 s ILE 12 CO -0.05 0.54 0.18 0.68 0.00 0.00 0.00 174.94 176.29 2ij0 s VAL 13 N 0.50 0.30 0.07 2.92 -7.23 -0.28 -4.99 120.40 111.69 2ij0 s VAL 13 Ca -0.13 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 2ij0 s VAL 13 Cb -0.17 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2ij0 s VAL 13 CO 0.05 0.00 0.09 -0.54 -0.31 0.00 0.00 175.10 174.39 2ij0 s LYS 14 N -3.74 2.95 0.25 4.82 1.02 -1.26 -0.60 119.74 123.18 2ij0 s LYS 14 Ca 0.35 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 55.42 2ij0 s LYS 14 Cb 0.04 -2.77 -0.15 0.00 -0.52 0.00 0.00 37.83 34.43 2ij0 s LYS 14 CO 0.19 0.58 0.81 0.43 -0.92 0.00 0.00 175.35 176.44 2ij0 n SER 15 N 0.56 0.27 0.00 2.83 7.64 -0.15 -2.70 113.62 122.07 2ij0 n SER 15 Ca -0.09 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2ij0 n SER 15 Cb 0.52 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.54 1.54 3.90 0.23 0.00 0.38 -4.89 105.19 107.90 2ij0 n GLY 16 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.29 2.75 0.08 2.61 -1.32 -1.10 -4.12 115.64 111.25 2ij0 s THR 17 Ca 0.00 0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 2ij0 s THR 17 Cb 0.00 -3.21 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 2ij0 s THR 17 CO 0.00 -0.26 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.03 2ij0 s SER 18 N -4.46 3.87 -0.08 8.08 1.04 -1.26 -0.54 113.70 120.35 2ij0 s SER 18 Ca 0.59 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 2ij0 s SER 18 Cb -0.11 -0.59 0.03 0.00 0.10 0.00 0.00 66.02 65.45 2ij0 s SER 18 CO 0.48 0.22 -0.02 -0.69 0.98 0.00 0.00 173.24 174.21 2ij0 s VAL 19 N -1.04 0.53 -0.16 5.02 1.01 0.10 -4.97 120.40 120.88 2ij0 s VAL 19 Ca 0.16 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2ij0 s VAL 19 Cb -0.11 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2ij0 s VAL 19 CO 0.08 0.28 0.31 -0.75 0.00 0.00 0.00 175.10 175.02 2ij0 s LYS 20 N 1.91 4.25 -0.07 2.72 2.20 -1.26 -1.85 119.74 127.65 2ij0 s LYS 20 Ca 0.05 0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.83 2ij0 s LYS 20 Cb -0.12 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2ij0 s LYS 20 CO -0.06 0.20 -0.23 0.42 -0.36 0.00 0.00 175.35 175.32 2ij0 s ILE 21 N 0.59 1.89 0.07 5.43 1.01 0.13 -4.67 121.20 125.65 2ij0 s ILE 21 Ca 0.17 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2ij0 s ILE 21 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2ij0 s ILE 21 CO 0.05 0.53 0.10 -1.61 0.00 0.00 0.00 174.94 174.00 2ij0 s GLU 22 N 0.08 2.99 -0.19 2.79 2.02 0.95 0.08 118.70 127.42 2ij0 s GLU 22 Ca -0.09 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 2ij0 s GLU 22 Cb -0.15 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.35 2ij0 s GLU 22 CO 0.05 0.58 -0.01 0.00 0.02 0.00 0.00 175.26 175.90 2ij0 s ARG 24 N 1.67 2.55 0.00 0.00 1.81 -0.46 -1.68 118.95 122.84 2ij0 s ARG 24 Ca -0.02 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2ij0 s ARG 24 Cb -0.17 -2.51 -0.00 0.00 -0.45 0.00 0.00 34.95 31.82 2ij0 s ARG 24 CO -0.07 0.59 -0.02 0.45 -0.68 0.00 0.00 175.30 175.57 2ij0 s SER 25 N -1.56 0.18 0.00 0.23 0.15 -0.62 -1.56 113.70 110.53 2ij0 s SER 25 Ca 0.18 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2ij0 s SER 25 Cb -0.11 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2ij0 s SER 25 CO 0.09 -0.01 0.24 0.00 1.20 0.00 0.00 173.24 174.75 2ij0 n LEU 26 N 2.89 1.57 -4.80 3.45 -0.00 -1.25 -4.54 117.00 114.32 2ij0 n LEU 26 Ca -0.13 0.25 -0.37 0.00 -0.00 0.00 0.00 56.01 55.76 2ij0 n LEU 26 Cb 0.59 -0.02 -0.06 0.00 -0.00 0.00 0.00 43.42 43.93 2ij0 n LEU 26 CO 0.25 -0.02 0.51 1.51 -0.00 0.00 0.00 177.39 179.65 2ij0 s ASP 27 N -1.50 7.20 0.00 1.45 1.47 -1.26 -4.90 116.67 119.14 2ij0 s ASP 27 Ca 0.00 1.60 0.00 0.00 1.18 0.00 0.00 52.55 55.33 2ij0 s ASP 27 Cb 0.00 -2.49 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 2ij0 s ASP 27 CO 0.00 0.01 0.00 0.35 0.68 0.00 0.00 175.17 176.21 2ij0 n THR 27 N 0.75 0.00 0.00 2.11 -2.24 -1.26 -4.71 114.28 108.93 2ij0 n THR 27 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ij0 n THR 27 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.03 0.00 -1.67 3.42 3.02 -1.26 -5.03 115.26 113.72 2ij0 n ASN 28 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2ij0 n ASN 28 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2ij0 n ASN 28 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2ij0 n ILE 29 N 0.00 -7.74 0.05 2.41 5.41 -1.26 -4.76 119.36 113.47 2ij0 n ILE 29 Ca 0.00 1.59 0.11 0.00 1.00 0.00 0.00 62.75 65.45 2ij0 n ILE 29 Cb 0.00 -4.55 -0.14 0.00 -0.71 0.00 0.00 39.64 34.24 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 0.92 0.16 -3.71 1.39 1.44 -1.11 -4.81 115.22 109.49 2ij0 n HIS 30 Ca 0.00 0.05 -0.18 0.00 -2.01 0.00 0.00 57.72 55.58 2ij0 n HIS 30 Cb 0.00 -0.56 -0.17 0.00 0.12 0.00 0.00 29.99 29.39 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 -3.47 -0.10 -0.09 0.61 2.01 -1.23 -0.64 115.64 112.74 2ij0 s THR 31 Ca -0.06 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.29 2ij0 s THR 31 Cb 0.13 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 2ij0 s THR 31 CO 0.89 0.14 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.83 2ij0 s MET 32 N 1.75 2.94 -0.05 4.92 -1.94 -0.44 -2.45 119.30 124.03 2ij0 s MET 32 Ca -0.01 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.41 2ij0 s MET 32 Cb -0.12 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 2ij0 s MET 32 CO -0.03 0.52 -0.12 -0.06 -0.01 0.00 0.00 175.02 175.31 2ij0 s PHE 33 N -0.43 2.76 -0.09 -0.03 0.40 0.16 -0.48 117.98 120.26 2ij0 s PHE 33 Ca 0.06 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 2ij0 s PHE 33 Cb -0.12 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 2ij0 s PHE 33 CO 0.02 0.23 -0.06 -1.58 0.70 0.00 0.00 175.22 174.53 2ij0 s TRP 34 N -0.76 2.98 0.11 0.36 0.52 0.34 -1.25 118.94 121.24 2ij0 s TRP 34 Ca 0.12 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.23 2ij0 s TRP 34 Cb -0.11 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 2ij0 s TRP 34 CO 0.01 0.24 -0.14 0.71 0.02 0.00 0.00 176.95 177.79 2ij0 s TYR 35 N -0.49 1.34 0.02 -1.98 2.02 0.74 -1.52 117.35 117.48 2ij0 s TYR 35 Ca 0.07 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 2ij0 s TYR 35 Cb -0.12 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.71 2ij0 s TYR 35 CO 0.02 0.12 -0.14 0.50 -1.57 0.00 0.00 175.55 174.48 2ij0 s ARG 36 N -2.51 0.98 -0.19 -0.62 3.52 -0.26 -0.21 118.95 119.66 2ij0 s ARG 36 Ca 0.07 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2ij0 s ARG 36 Cb -0.06 -0.97 0.05 0.00 -1.56 0.00 0.00 34.95 32.42 2ij0 s ARG 36 CO 0.03 0.25 -0.01 -1.14 -0.81 0.00 0.00 175.30 173.61 2ij0 s GLN 37 N -0.85 1.10 0.47 5.12 0.74 0.10 -1.05 119.66 125.29 2ij0 s GLN 37 Ca 0.03 -0.54 -0.16 0.00 0.05 0.00 0.00 55.36 54.74 2ij0 s GLN 37 Cb -0.07 -2.11 -0.08 0.00 1.10 0.00 0.00 33.01 31.86 2ij0 s GLN 37 CO 0.01 -0.54 0.93 -0.06 -0.55 0.00 0.00 175.29 175.07 2ij0 s PHE 38 N 1.70 3.44 0.12 1.67 0.08 -1.26 -1.28 117.98 122.45 2ij0 s PHE 38 Ca -0.01 1.38 -0.35 0.00 0.12 0.00 0.00 56.93 58.07 2ij0 s PHE 38 Cb -0.17 -2.71 -0.15 0.00 -0.57 0.00 0.00 43.02 39.42 2ij0 s PHE 38 CO -0.07 -0.27 1.53 -2.30 -0.10 0.00 0.00 175.22 174.01 2ij0 n PRO 39 N -1.37 1.87 -0.89 0.24 -0.02 -1.26 -1.71 135.00 131.86 2ij0 n PRO 39 Ca 0.06 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2ij0 n PRO 39 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2ij0 n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ij0 n LYS 40 N 3.35 0.00 -4.47 -0.52 5.02 -1.26 -5.00 118.16 115.27 2ij0 n LYS 40 Ca 0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.24 2ij0 n LYS 40 Cb 0.26 -2.63 -0.10 0.00 -0.02 0.00 0.00 35.03 32.54 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 -0.11 1.72 0.59 1.97 -0.21 -0.70 -5.13 119.66 117.80 2ij0 s GLN 41 Ca 0.00 -1.97 -0.19 0.00 0.02 0.00 0.00 55.36 53.22 2ij0 s GLN 41 Cb 0.00 -0.85 -0.03 0.00 1.00 0.00 0.00 33.01 33.13 2ij0 s GLN 41 CO 0.00 -0.24 1.22 -1.12 -2.12 0.00 0.00 175.29 173.03 2ij0 s SER 42 N -3.52 5.14 -0.66 5.90 0.01 -1.26 -4.68 113.70 114.63 2ij0 s SER 42 Ca 0.33 2.43 -0.27 0.00 1.31 0.00 0.00 55.95 59.76 2ij0 s SER 42 Cb 0.08 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2ij0 s SER 42 CO 0.15 -1.63 1.61 -0.22 0.41 0.00 0.00 173.24 173.56 2ij0 s LEU 43 N -4.06 3.24 0.11 2.44 2.96 -1.26 -4.30 118.68 117.81 2ij0 s LEU 43 Ca 0.78 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2ij0 s LEU 43 Cb -0.32 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 2ij0 s LEU 43 CO 0.34 -2.14 0.16 -0.04 -1.32 0.00 0.00 176.35 173.36 2ij0 s MET 44 N 6.46 3.11 0.11 1.98 -1.94 -0.22 -4.92 119.30 123.88 2ij0 s MET 44 Ca 0.53 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 53.54 2ij0 s MET 44 Cb -0.11 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.86 2ij0 s MET 44 CO 0.18 0.54 1.01 -1.17 -0.01 0.00 0.00 175.02 175.58 2ij0 s LEU 45 N -2.79 4.47 -0.02 -0.03 2.96 -1.26 -1.10 118.68 120.92 2ij0 s LEU 45 Ca 0.32 1.86 0.03 0.00 -0.22 0.00 0.00 54.13 56.12 2ij0 s LEU 45 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2ij0 s LEU 45 CO 0.25 -0.16 0.03 1.15 -1.32 0.00 0.00 176.35 176.30 2ij0 n MET 46 N 2.93 2.44 -3.62 1.98 0.00 -0.58 -4.73 117.12 115.54 2ij0 n MET 46 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 57.70 57.58 2ij0 n MET 46 Cb 0.48 -1.07 -0.07 0.00 0.00 0.00 0.00 33.22 32.56 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 -2.11 -1.66 -0.13 3.17 0.00 -1.11 -1.36 121.76 118.57 2ij0 s ALA 47 Ca -0.01 1.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.64 2ij0 s ALA 47 Cb 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2ij0 s ALA 47 CO 0.12 -0.33 -0.08 -0.08 0.00 0.00 0.00 175.76 175.39 2ij0 s THR 48 N -0.07 3.51 -0.30 0.00 -1.32 -0.33 -0.51 115.64 116.63 2ij0 s THR 48 Ca -0.03 -0.51 -0.02 0.00 -1.21 0.00 0.00 61.69 59.93 2ij0 s THR 48 Cb -0.04 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.51 2ij0 s THR 48 CO 0.03 0.52 -0.00 -0.55 -2.21 0.00 0.00 174.62 172.42 2ij0 s SER 49 N 0.15 4.89 -0.14 8.08 0.15 0.37 -0.65 113.70 126.53 2ij0 s SER 49 Ca -0.04 -1.29 -0.19 0.00 0.70 0.00 0.00 55.95 55.14 2ij0 s SER 49 Cb -0.14 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2ij0 s SER 49 CO 0.04 -0.26 0.50 -1.00 1.20 0.00 0.00 173.24 173.72 2ij0 s HIS 50 N 1.25 3.47 0.03 3.44 3.76 -1.26 -1.33 115.29 124.65 2ij0 s HIS 50 Ca -0.05 0.87 -0.30 0.00 -0.15 0.00 0.00 55.06 55.43 2ij0 s HIS 50 Cb -0.20 -2.60 -0.08 0.00 1.11 0.00 0.00 32.58 30.81 2ij0 s HIS 50 CO -0.01 0.08 1.78 -1.14 -0.85 0.00 0.00 174.74 174.59 2ij0 s GLN 51 N 0.96 4.17 0.00 1.40 -0.44 0.19 -1.54 119.66 124.40 2ij0 s GLN 51 Ca 0.26 2.42 0.00 0.00 -2.50 0.00 0.00 55.36 55.54 2ij0 s GLN 51 Cb -0.15 -3.88 0.00 0.00 -1.64 0.00 0.00 33.01 27.34 2ij0 s GLN 51 CO 0.10 -0.85 0.00 0.41 0.50 0.00 0.00 175.29 175.46 2ij0 n GLY 52 N 4.24 1.41 3.58 2.59 0.00 -1.26 -5.07 105.19 110.67 2ij0 n GLY 52 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.21 2.50 0.46 1.61 0.40 -0.59 -5.12 117.98 115.03 2ij0 s PHE 52 Ca 0.00 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.77 2ij0 s PHE 52 Cb 0.00 -1.22 -0.07 0.00 0.51 0.00 0.00 43.02 42.24 2ij0 s PHE 52 CO 0.00 0.61 1.14 -0.80 0.70 0.00 0.00 175.22 176.87 2ij0 s ASN 53 N -3.63 6.21 0.61 1.36 0.01 -1.26 -4.63 114.94 113.61 2ij0 s ASN 53 Ca 0.32 2.23 -0.19 0.00 -0.71 0.00 0.00 52.86 54.51 2ij0 s ASN 53 Cb -0.04 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 2ij0 s ASN 53 CO 0.18 -0.88 1.31 0.00 -1.51 0.00 0.00 177.10 176.19 2ij0 s ALA 54 N -1.61 2.53 -0.18 0.60 0.00 -1.26 -4.68 121.76 117.15 2ij0 s ALA 54 Ca 0.64 1.24 -0.06 0.00 0.00 0.00 0.00 51.96 53.78 2ij0 s ALA 54 Cb -0.26 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 2ij0 s ALA 54 CO 0.32 -1.50 0.03 -1.50 0.00 0.00 0.00 175.76 173.12 2ij0 s ILE 55 N -1.38 4.44 -0.13 0.00 1.10 0.18 -4.96 121.20 120.45 2ij0 s ILE 55 Ca 0.79 -0.15 -0.05 0.00 -0.51 0.00 0.00 60.65 60.72 2ij0 s ILE 55 Cb -0.38 -3.00 -0.04 0.00 0.15 0.00 0.00 42.46 39.19 2ij0 s ILE 55 CO 0.42 0.45 0.05 -0.31 -2.11 0.00 0.00 174.94 173.44 2ij0 s TYR 56 N 0.57 3.29 0.83 3.50 1.51 -1.26 -1.18 117.35 124.60 2ij0 s TYR 56 Ca 0.01 0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.18 2ij0 s TYR 56 Cb -0.13 -1.93 0.09 0.00 -0.11 0.00 0.00 41.96 39.87 2ij0 s TYR 56 CO 0.02 0.40 1.10 -1.21 -1.11 0.00 0.00 175.55 174.74 2ij0 s GLU 57 N -0.43 1.80 0.34 -0.62 0.41 -0.46 -4.94 118.70 114.80 2ij0 s GLU 57 Ca 0.09 1.12 -0.26 0.00 -0.41 0.00 0.00 54.97 55.51 2ij0 s GLU 57 Cb -0.12 -1.85 -0.13 0.00 -1.78 0.00 0.00 34.13 30.25 2ij0 s GLU 57 CO 0.02 -1.95 0.95 0.94 -0.49 0.00 0.00 175.26 174.73 2ij0 n GLN 58 N -3.72 1.25 0.00 1.61 7.27 -1.26 -1.92 117.38 120.61 2ij0 n GLN 58 Ca 0.09 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.60 2ij0 n GLN 58 Cb 0.53 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.33 2ij0 n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ij0 n GLY 59 N 1.28 2.19 3.25 1.69 0.00 -1.26 -5.01 105.19 107.32 2ij0 n GLY 59 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.56 3.00 -0.05 1.61 1.01 -0.81 -5.11 120.40 117.49 2ij0 s VAL 60 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2ij0 s VAL 60 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2ij0 s VAL 60 CO 0.00 0.41 0.01 0.68 0.00 0.00 0.00 175.10 176.19 2ij0 s VAL 61 N 1.41 4.28 0.26 2.92 -7.23 -1.26 -4.66 120.40 116.12 2ij0 s VAL 61 Ca 0.05 -0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 59.82 2ij0 s VAL 61 Cb -0.14 -2.84 0.25 0.00 0.56 0.00 0.00 36.38 34.21 2ij0 s VAL 61 CO -0.06 0.52 1.69 0.07 -0.31 0.00 0.00 175.10 177.01 2ij0 h LYS 62 N 4.85 0.29 -0.25 4.82 2.10 -1.99 -1.09 116.57 125.30 2ij0 h LYS 62 Ca -0.50 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.10 2ij0 h LYS 62 Cb 1.19 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2ij0 h LYS 62 CO 0.56 0.19 0.05 -0.44 -2.00 0.00 0.00 179.45 177.81 2ij0 h ASP 63 N 0.30 0.38 0.89 7.07 5.19 -1.98 -2.61 116.42 125.66 2ij0 h ASP 63 Ca 0.46 -0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 2ij0 h ASP 63 Cb 0.80 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2ij0 h ASP 63 CO -0.52 0.53 -0.27 0.50 -3.12 0.00 0.00 179.24 176.35 2ij0 h LYS 64 N 0.22 0.00 -2.73 3.56 3.64 -1.79 -3.39 116.57 116.08 2ij0 h LYS 64 Ca 0.08 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.85 2ij0 h LYS 64 Cb 0.30 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.73 2ij0 h LYS 64 CO 0.00 0.27 -0.79 -0.06 -2.27 0.00 0.00 179.45 176.61 2ij0 s PHE 65 N -3.65 2.15 -0.04 1.91 0.08 -0.45 -1.78 117.98 116.19 2ij0 s PHE 65 Ca 0.00 -2.71 -0.30 0.00 0.12 0.00 0.00 56.93 54.04 2ij0 s PHE 65 Cb 0.11 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2ij0 s PHE 65 CO 0.65 -0.71 1.13 -0.51 -0.10 0.00 0.00 175.22 175.68 2ij0 s LEU 66 N -0.46 4.30 -0.22 -0.37 1.43 -0.18 -4.57 118.68 118.60 2ij0 s LEU 66 Ca 0.27 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 55.09 2ij0 s LEU 66 Cb -0.04 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 2ij0 s LEU 66 CO -0.15 -0.50 0.00 -0.63 0.23 0.00 0.00 176.35 175.30 2ij0 s ILE 67 N 1.82 3.83 -0.28 -0.59 1.01 -1.26 0.16 121.20 125.89 2ij0 s ILE 67 Ca 0.54 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 2ij0 s ILE 67 Cb -0.24 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 2ij0 s ILE 67 CO 0.23 0.40 0.07 0.20 0.00 0.00 0.00 174.94 175.84 2ij0 s ASN 68 N 1.38 5.09 -0.61 3.58 0.01 -0.53 -4.72 114.94 119.14 2ij0 s ASN 68 Ca 0.05 -0.57 0.05 0.00 -0.71 0.00 0.00 52.86 51.68 2ij0 s ASN 68 Cb -0.15 -1.89 0.19 0.00 0.41 0.00 0.00 41.25 39.82 2ij0 s ASN 68 CO 0.00 -0.15 0.52 1.57 -1.51 0.00 0.00 177.10 177.54 2ij0 n HIS 69 N 4.88 2.24 0.05 2.20 -0.00 -1.26 -0.78 115.22 122.55 2ij0 n HIS 69 Ca -0.15 -4.03 -0.02 0.00 0.46 0.00 0.00 57.72 53.98 2ij0 n HIS 69 Cb 0.49 -0.42 -0.01 0.00 -0.12 0.00 0.00 29.99 29.93 2ij0 n HIS 69 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ij0 h ALA 70 N 5.07 -0.47 -1.85 1.57 0.00 -1.96 -3.36 119.26 118.26 2ij0 h ALA 70 Ca 0.18 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.62 2ij0 h ALA 70 Cb 0.77 0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.65 2ij0 h ALA 70 CO 0.66 -0.46 -0.10 -1.54 0.00 0.00 0.00 179.25 177.81 2ij0 s SER 71 N -3.11 5.51 0.08 0.00 1.04 -1.26 -4.64 113.70 111.32 2ij0 s SER 71 Ca -0.02 0.01 0.27 0.00 0.48 0.00 0.00 55.95 56.69 2ij0 s SER 71 Cb 0.00 -1.04 0.98 0.00 0.10 0.00 0.00 66.02 66.06 2ij0 s SER 71 CO 0.06 -0.94 1.80 -0.81 0.98 0.00 0.00 173.24 174.33 2ij0 n PRO 72 N -2.17 0.11 -0.10 4.02 -0.04 -1.26 -3.06 135.00 132.51 2ij0 n PRO 72 Ca 0.06 0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2ij0 n PRO 72 Cb 0.59 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 2ij0 n PRO 72 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2ij0 h THR 73 N 0.00 1.28 -3.27 0.52 2.02 -1.87 -3.42 112.91 108.16 2ij0 h THR 73 Ca 0.00 -1.60 -0.53 0.00 0.77 0.00 0.00 66.41 65.05 2ij0 h THR 73 Cb 0.60 1.53 -0.40 0.00 -1.74 0.00 0.00 68.15 68.15 2ij0 h THR 73 CO 0.00 0.52 -0.77 -0.22 0.37 0.00 0.00 175.52 175.43 2ij0 s LEU 74 N -8.84 1.42 -0.17 2.58 2.96 -1.17 -1.59 118.68 113.87 2ij0 s LEU 74 Ca -0.11 -0.98 -0.10 0.00 -0.22 0.00 0.00 54.13 52.72 2ij0 s LEU 74 Cb 0.10 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 2ij0 s LEU 74 CO 0.87 -0.32 0.17 -0.55 -1.32 0.00 0.00 176.35 175.20 2ij0 s SER 75 N 1.79 6.30 -0.11 3.68 0.15 -0.67 -3.92 113.70 120.92 2ij0 s SER 75 Ca 0.00 0.34 0.04 0.00 0.70 0.00 0.00 55.95 57.03 2ij0 s SER 75 Cb -0.17 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2ij0 s SER 75 CO -0.11 0.20 -0.23 0.42 1.20 0.00 0.00 173.24 174.72 2ij0 s THR 76 N 0.13 2.02 -0.21 6.45 -4.23 0.04 0.83 115.64 120.67 2ij0 s THR 76 Ca 0.11 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.53 2ij0 s THR 76 Cb -0.12 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 2ij0 s THR 76 CO 0.00 0.55 0.13 -0.22 -0.54 0.00 0.00 174.62 174.55 2ij0 s LEU 77 N 0.47 4.17 -0.22 4.79 2.96 0.11 -1.45 118.68 129.51 2ij0 s LEU 77 Ca -0.16 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2ij0 s LEU 77 Cb -0.17 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.47 2ij0 s LEU 77 CO 0.06 0.15 -0.14 0.28 -1.32 0.00 0.00 176.35 175.38 2ij0 s THR 78 N 0.54 2.04 -0.26 3.68 -1.32 0.12 0.18 115.64 120.63 2ij0 s THR 78 Ca 0.08 -1.28 -0.23 0.00 -1.21 0.00 0.00 61.69 59.05 2ij0 s THR 78 Cb -0.12 -2.03 -0.01 0.00 -1.51 0.00 0.00 72.50 68.83 2ij0 s THR 78 CO -0.00 0.21 0.75 0.54 -2.21 0.00 0.00 174.62 173.91 2ij0 s VAL 79 N 1.22 4.88 0.25 5.08 0.11 -0.77 -1.01 120.40 130.16 2ij0 s VAL 79 Ca -0.03 1.36 0.05 0.00 -2.93 0.00 0.00 61.98 60.43 2ij0 s VAL 79 Cb -0.17 -4.06 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 2ij0 s VAL 79 CO -0.08 -0.06 0.37 0.42 -3.33 0.00 0.00 175.10 172.42 2ij0 s THR 80 N 2.74 5.20 -1.27 5.04 -4.23 -0.74 -0.72 115.64 121.65 2ij0 s THR 80 Ca 0.31 -0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 59.62 2ij0 s THR 80 Cb -0.15 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.87 2ij0 s THR 80 CO 0.08 -0.33 0.57 -0.24 -0.54 0.00 0.00 174.62 174.16 2ij0 n SER 81 N -1.44 -3.20 -4.68 3.99 2.88 -0.97 -4.79 113.62 105.42 2ij0 n SER 81 Ca -0.08 -1.22 -0.43 0.00 -1.33 0.00 0.00 58.87 55.81 2ij0 n SER 81 Cb 0.57 -2.12 -0.03 0.00 -0.75 0.00 0.00 64.21 61.88 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 -4.76 1.88 -2.48 -1.46 0.00 0.30 -4.55 120.51 109.45 2ij0 n ALA 82 Ca -0.16 0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 2ij0 n ALA 82 Cb 0.60 -2.61 -0.11 0.00 0.00 0.00 0.00 19.45 17.32 2ij0 n ALA 82 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2ij0 s HIS 83 N 3.37 2.49 0.45 0.00 3.76 -1.26 0.14 115.29 124.26 2ij0 s HIS 83 Ca 0.85 -0.28 0.32 0.00 -0.15 0.00 0.00 55.06 55.80 2ij0 s HIS 83 Cb -0.48 -1.31 1.44 0.00 1.11 0.00 0.00 32.58 33.34 2ij0 s HIS 83 CO 0.40 0.40 1.64 -1.35 -0.85 0.00 0.00 174.74 174.97 2ij0 h PRO 84 N 3.66 0.09 0.00 8.40 0.11 -1.80 0.13 132.00 142.60 2ij0 h PRO 84 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ij0 h PRO 84 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ij0 h PRO 84 CO 0.46 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 2ij0 n GLU 85 N -4.57 0.21 0.09 1.05 -0.58 -1.26 -1.84 120.64 113.74 2ij0 n GLU 85 Ca 0.36 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 57.37 2ij0 n GLU 85 Cb 1.44 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 31.08 2ij0 n GLU 85 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2ij0 h ASP 86 N 0.00 0.00 -2.31 1.62 3.32 -1.13 -3.47 116.42 114.45 2ij0 h ASP 86 Ca 0.00 -0.10 -0.57 0.00 0.02 0.00 0.00 57.03 56.38 2ij0 h ASP 86 Cb 0.15 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.74 2ij0 h ASP 86 CO 0.00 0.05 1.00 -1.20 -1.72 0.00 0.00 179.24 177.37 2ij0 n SER 87 N -2.25 3.58 -0.21 6.45 7.64 -0.76 -4.86 113.62 123.22 2ij0 n SER 87 Ca 0.04 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2ij0 n SER 87 Cb 0.44 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 3.99 0.76 3.38 0.23 0.00 -0.24 -4.68 105.19 108.62 2ij0 n GLY 88 Ca 0.19 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.13 2.89 -0.21 1.61 5.36 -0.40 -0.95 117.98 124.15 2ij0 s PHE 89 Ca 0.00 -0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 55.28 2ij0 s PHE 89 Cb 0.00 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 2ij0 s PHE 89 CO 0.00 -0.26 -0.05 0.71 -1.46 0.00 0.00 175.22 174.16 2ij0 s TYR 90 N 0.60 2.95 -0.06 10.12 1.51 0.13 0.00 117.35 132.60 2ij0 s TYR 90 Ca -0.06 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.13 2ij0 s TYR 90 Cb -0.15 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 2ij0 s TYR 90 CO 0.03 -0.50 -0.10 0.54 -1.11 0.00 0.00 175.55 174.41 2ij0 s VAL 91 N 1.32 0.98 0.40 0.71 0.11 0.71 -0.07 120.40 124.55 2ij0 s VAL 91 Ca 0.04 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.75 2ij0 s VAL 91 Cb -0.14 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2ij0 s VAL 91 CO -0.02 0.32 0.56 0.00 -3.33 0.00 0.00 175.10 172.62 2ij0 s SER 93 N -4.26 -0.13 -0.01 0.00 1.04 -0.38 -0.23 113.70 109.73 2ij0 s SER 93 Ca 0.50 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2ij0 s SER 93 Cb -0.10 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2ij0 s SER 93 CO 0.33 -0.76 0.01 0.00 0.98 0.00 0.00 173.24 173.80 2ij0 s ALA 94 N -3.48 0.04 0.14 5.32 0.00 0.79 -0.67 121.76 123.90 2ij0 s ALA 94 Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2ij0 s ALA 94 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2ij0 s ALA 94 CO -0.09 -0.05 -0.13 -0.48 0.00 0.00 0.00 175.76 175.00 2ij0 s LEU 95 N 0.52 2.46 0.00 0.00 0.05 -1.02 -2.17 118.68 118.52 2ij0 s LEU 95 Ca -0.04 -0.89 0.00 0.00 0.05 0.00 0.00 54.13 53.24 2ij0 s LEU 95 Cb -0.06 -0.51 0.00 0.00 -2.05 0.00 0.00 46.19 43.57 2ij0 s LEU 95 CO -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 176.35 175.59 2ij0 n ALA 96 N 0.21 0.00 -2.20 1.48 0.00 -1.26 -2.77 120.51 115.98 2ij0 n ALA 96 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 2ij0 n ALA 96 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 2ij0 n ALA 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ij0 s GLY 97 N -0.00 2.45 0.00 0.00 0.00 -1.26 -4.58 107.32 103.92 2ij0 s GLY 97 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2ij0 s GLY 97 CO 0.00 0.28 0.00 1.44 0.00 0.00 0.00 173.10 174.82 2ij0 n SER 98 N 0.26 0.00 -0.29 1.64 7.64 -1.26 -5.10 113.62 116.52 2ij0 n SER 98 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2ij0 n SER 98 Cb 0.52 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 2.15 0.22 1.15 0.23 0.00 -1.26 -5.02 105.19 102.65 2ij0 n GLY 99 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.31 0.00 -1.60 1.61 7.64 -1.26 -4.90 113.62 111.80 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 0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.86 -1.90 0.00 6.43 7.64 -1.26 -4.75 113.62 117.92 2ij0 n SER 101 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2ij0 n SER 101 Cb 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 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 0.15 0.00 -0.92 0.44 -2.24 -1.26 -4.96 114.28 105.48 2ij0 n THR 102 Ca -0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 2ij0 n THR 102 Cb 0.06 -0.50 0.22 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.21 1.58 -0.16 3.42 3.68 -1.26 -5.04 116.67 117.68 2ij0 s ASP 103 Ca 0.00 1.16 -0.07 0.00 2.13 0.00 0.00 52.55 55.77 2ij0 s ASP 103 Cb 0.00 -1.79 -0.04 0.00 -1.45 0.00 0.00 42.92 39.64 2ij0 s ASP 103 CO 0.00 -3.78 0.07 -0.89 0.13 0.00 0.00 175.17 170.70 2ij0 s THR 105 N -2.78 4.86 -0.16 1.71 2.01 -1.26 -4.93 115.64 115.08 2ij0 s THR 105 Ca 0.67 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.67 2ij0 s THR 105 Cb -0.19 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2ij0 s THR 105 CO 0.60 0.50 -0.20 -1.58 -0.69 0.00 0.00 174.62 173.25 2ij0 s GLN 106 N -0.01 2.92 -0.22 4.92 0.74 -1.26 -4.48 119.66 122.27 2ij0 s GLN 106 Ca 0.06 -0.81 -0.06 0.00 0.05 0.00 0.00 55.36 54.61 2ij0 s GLN 106 Cb -0.12 -2.46 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 2ij0 s GLN 106 CO 0.01 -0.14 0.01 0.71 -0.55 0.00 0.00 175.29 175.33 2ij0 s TYR 107 N 1.13 3.04 0.17 1.67 1.51 -0.92 -4.91 117.35 119.03 2ij0 s TYR 107 Ca 0.00 -0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 55.37 2ij0 s TYR 107 Cb -0.14 -2.14 -0.07 0.00 -0.11 0.00 0.00 41.96 39.50 2ij0 s TYR 107 CO -0.09 -0.35 0.57 -0.06 -1.11 0.00 0.00 175.55 174.52 2ij0 s PHE 108 N 1.31 3.58 0.96 2.71 0.40 -1.26 -0.15 117.98 125.53 2ij0 s PHE 108 Ca 0.04 1.08 -0.12 0.00 -0.60 0.00 0.00 56.93 57.34 2ij0 s PHE 108 Cb -0.15 -2.39 0.17 0.00 0.51 0.00 0.00 43.02 41.16 2ij0 s PHE 108 CO 0.01 0.39 1.09 0.20 0.70 0.00 0.00 175.22 177.61 2ij0 s GLY 109 N -1.79 1.59 0.00 4.36 0.00 0.68 -4.60 107.32 107.57 2ij0 s GLY 109 Ca 0.40 -0.17 0.24 0.00 0.00 0.00 0.00 44.72 45.19 2ij0 s GLY 109 CO 0.19 0.38 1.92 -1.55 0.00 0.00 0.00 173.10 174.04 2ij0 n PRO 110 N -4.09 1.02 0.00 2.90 -0.05 -1.26 -4.79 135.00 128.72 2ij0 n PRO 110 Ca 0.06 -0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.48 2ij0 n PRO 110 Cb 0.56 -1.38 0.00 0.00 -0.05 0.00 0.00 33.50 32.63 2ij0 n PRO 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2ij0 n GLY 111 N 0.88 -2.21 2.87 0.55 0.00 -1.26 -5.01 105.19 101.01 2ij0 n GLY 111 Ca 0.18 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 2ij0 n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ij0 s THR 112 N -2.82 0.26 -0.36 2.61 -4.23 0.90 -4.69 115.64 107.31 2ij0 s THR 112 Ca 0.00 -0.04 -0.23 0.00 -1.18 0.00 0.00 61.69 60.25 2ij0 s THR 112 Cb 0.00 -0.29 0.01 0.00 1.34 0.00 0.00 72.50 73.55 2ij0 s THR 112 CO 0.00 0.13 0.77 -1.58 -0.54 0.00 0.00 174.62 173.39 2ij0 s GLN 113 N 0.55 3.77 -0.23 3.99 2.00 -0.19 0.20 119.66 129.76 2ij0 s GLN 113 Ca -0.06 0.31 -0.08 0.00 -2.00 0.00 0.00 55.36 53.53 2ij0 s GLN 113 Cb -0.09 -3.80 -0.04 0.00 0.80 0.00 0.00 33.01 29.88 2ij0 s GLN 113 CO -0.01 -0.82 0.10 -1.17 -0.50 0.00 0.00 175.29 172.90 2ij0 s LEU 114 N 3.03 3.79 -0.16 3.68 2.96 -0.13 -0.85 118.68 131.01 2ij0 s LEU 114 Ca 0.31 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2ij0 s LEU 114 Cb -0.13 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2ij0 s LEU 114 CO 0.16 0.06 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.24 2ij0 s THR 115 N 1.06 2.96 -0.24 3.68 2.01 -0.48 -1.08 115.64 123.55 2ij0 s THR 115 Ca 0.05 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2ij0 s THR 115 Cb -0.14 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2ij0 s THR 115 CO 0.04 0.50 0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 2ij0 s VAL 116 N 0.85 4.62 -2.64 3.82 1.01 -1.26 -1.12 120.40 125.67 2ij0 s VAL 116 Ca -0.04 -0.07 0.27 0.00 0.00 0.00 0.00 61.98 62.14 2ij0 s VAL 116 Cb -0.15 -3.15 0.45 0.00 0.00 0.00 0.00 36.38 33.53 2ij0 s VAL 116 CO 0.00 0.35 1.61 0.18 0.00 0.00 0.00 175.10 177.24