#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ii8 s LYS 2 N 0.00 0.59 -0.03 2.12 2.20 -0.84 -5.02 119.74 118.75 1ii8 s LYS 2 Ca 0.00 1.43 -0.26 0.00 -0.36 0.00 0.00 55.97 56.78 1ii8 s LYS 2 Cb 0.00 0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 37.08 1ii8 s LYS 2 CO 0.00 -0.20 0.81 -0.51 -0.36 0.00 0.00 175.35 175.10 1ii8 s LEU 3 N 2.77 4.35 -0.17 5.43 1.43 -1.26 -1.24 118.68 130.00 1ii8 s LEU 3 Ca -0.06 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1ii8 s LEU 3 Cb -0.11 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 1ii8 s LEU 3 CO -0.19 -0.16 -0.17 1.21 0.23 0.00 0.00 176.35 177.28 1ii8 n GLU 4 N 3.73 0.40 -3.57 1.70 2.13 -0.49 -4.42 120.64 120.12 1ii8 n GLU 4 Ca 0.01 0.11 -0.00 0.00 0.66 0.00 0.00 57.16 57.94 1ii8 n GLU 4 Cb 0.51 -1.28 -0.04 0.00 0.27 0.00 0.00 31.44 30.90 1ii8 n GLU 4 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1ii8 s ARG 5 N -2.33 0.53 0.26 5.31 3.52 -0.64 -0.88 118.95 124.73 1ii8 s ARG 5 Ca -0.23 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1ii8 s ARG 5 Cb 0.07 0.78 -0.04 0.00 -1.56 0.00 0.00 34.95 34.20 1ii8 s ARG 5 CO 0.36 -0.21 0.45 0.54 -0.81 0.00 0.00 175.30 175.63 1ii8 s VAL 6 N 2.83 5.17 -0.28 7.11 0.11 -1.17 -0.76 120.40 133.40 1ii8 s VAL 6 Ca -0.03 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1ii8 s VAL 6 Cb -0.11 -3.80 0.17 0.00 -1.53 0.00 0.00 36.38 31.11 1ii8 s VAL 6 CO -0.19 -0.35 0.51 -0.89 -3.33 0.00 0.00 175.10 170.85 1ii8 s THR 7 N -2.06 -0.84 0.01 5.04 2.01 0.83 -2.65 115.64 117.99 1ii8 s THR 7 Ca 0.39 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.37 1ii8 s THR 7 Cb -0.10 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1ii8 s THR 7 CO 0.32 -0.08 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.32 1ii8 s VAL 8 N 2.72 2.95 -0.17 3.82 1.01 -0.81 -0.11 120.40 129.81 1ii8 s VAL 8 Ca 0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1ii8 s VAL 8 Cb -0.14 -2.22 0.08 0.00 0.00 0.00 0.00 36.38 34.10 1ii8 s VAL 8 CO -0.22 0.42 0.18 -0.54 0.00 0.00 0.00 175.10 174.94 1ii8 s LYS 9 N -1.22 0.13 -0.43 2.72 1.02 0.05 -0.90 119.74 121.12 1ii8 s LYS 9 Ca 0.14 0.20 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 1ii8 s LYS 9 Cb -0.11 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1ii8 s LYS 9 CO 0.04 -0.60 0.37 0.09 -0.92 0.00 0.00 175.35 174.33 1ii8 n ASN 10 N 5.31 -2.28 -3.79 2.83 4.13 0.14 -0.39 115.26 121.21 1ii8 n ASN 10 Ca -0.06 -0.21 -0.30 0.00 1.68 0.00 0.00 54.58 55.69 1ii8 n ASN 10 Cb 0.49 -2.13 -0.15 0.00 -1.54 0.00 0.00 39.78 36.45 1ii8 n ASN 10 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ii8 s PHE 11 N -3.12 1.91 0.00 3.10 5.36 -0.02 -4.63 117.98 120.57 1ii8 s PHE 11 Ca 0.04 -1.73 0.00 0.00 -0.96 0.00 0.00 56.93 54.27 1ii8 s PHE 11 Cb -0.02 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 1ii8 s PHE 11 CO 0.26 -0.83 0.00 0.54 -1.46 0.00 0.00 175.22 173.73 1ii8 n ARG 12 N 4.79 0.00 -0.07 10.12 1.74 -1.26 -2.89 116.66 129.09 1ii8 n ARG 12 Ca -0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 1ii8 n ARG 12 Cb 0.43 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.85 1ii8 n ARG 12 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ii8 n SER 13 N -2.60 -0.17 -4.71 0.55 7.64 -1.26 -4.51 113.62 108.56 1ii8 n SER 13 Ca 0.00 1.01 -0.64 0.00 1.01 0.00 0.00 58.87 60.25 1ii8 n SER 13 Cb 0.00 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.71 1ii8 n SER 13 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ii8 n HIS 14 N -3.28 1.74 -0.05 1.43 8.25 -1.14 -4.84 115.22 117.33 1ii8 n HIS 14 Ca 0.00 0.95 -0.08 0.00 -0.26 0.00 0.00 57.72 58.34 1ii8 n HIS 14 Cb 0.04 -2.29 -0.05 0.00 1.12 0.00 0.00 29.99 28.82 1ii8 n HIS 14 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ii8 n SER 15 N 4.14 2.87 -2.81 0.41 3.41 -1.26 -0.68 113.62 119.70 1ii8 n SER 15 Ca 0.28 -0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.76 1ii8 n SER 15 Cb 0.01 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 63.84 1ii8 n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ii8 n ASP 16 N -2.90 -1.91 -4.75 4.04 4.64 -1.24 -2.46 116.55 111.96 1ii8 n ASP 16 Ca -0.19 -3.53 -0.40 0.00 -1.38 0.00 0.00 54.79 49.30 1ii8 n ASP 16 Cb 0.69 1.49 -0.05 0.00 -1.04 0.00 0.00 41.12 42.21 1ii8 n ASP 16 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1ii8 s THR 17 N -0.09 4.44 -0.01 5.18 2.01 -0.07 -4.97 115.64 122.13 1ii8 s THR 17 Ca 0.26 1.81 0.00 0.00 0.31 0.00 0.00 61.69 64.08 1ii8 s THR 17 Cb 0.29 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1ii8 s THR 17 CO -0.08 0.44 0.01 -0.69 -0.69 0.00 0.00 174.62 173.61 1ii8 s VAL 18 N -0.64 -0.00 -0.01 3.82 1.01 -1.26 -1.93 120.40 121.39 1ii8 s VAL 18 Ca 0.39 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1ii8 s VAL 18 Cb -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1ii8 s VAL 18 CO 0.27 0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 174.68 1ii8 s VAL 19 N 0.67 0.57 -0.44 2.92 1.01 -1.08 -5.04 120.40 119.01 1ii8 s VAL 19 Ca -0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1ii8 s VAL 19 Cb -0.08 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.90 1ii8 s VAL 19 CO -0.02 0.18 0.27 -0.70 0.00 0.00 0.00 175.10 174.83 1ii8 s GLU 20 N 0.05 2.36 0.60 2.72 2.56 -1.26 -3.06 118.70 122.67 1ii8 s GLU 20 Ca -0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 54.97 53.12 1ii8 s GLU 20 Cb -0.05 -3.77 -0.03 0.00 2.00 0.00 0.00 34.13 32.27 1ii8 s GLU 20 CO -0.00 -1.09 1.05 -0.06 -0.56 0.00 0.00 175.26 174.60 1ii8 s PHE 21 N 1.31 3.05 0.30 5.30 0.40 -0.06 -5.01 117.98 123.26 1ii8 s PHE 21 Ca 0.05 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 1ii8 s PHE 21 Cb -0.24 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 1ii8 s PHE 21 CO -0.01 -1.07 0.32 0.15 0.70 0.00 0.00 175.22 175.31 1ii8 s LYS 22 N -4.24 1.66 0.99 0.44 3.01 -1.26 -4.74 119.74 115.59 1ii8 s LYS 22 Ca 0.62 -1.77 -0.12 0.00 -1.01 0.00 0.00 55.97 53.69 1ii8 s LYS 22 Cb -0.15 0.36 0.18 0.00 -1.01 0.00 0.00 37.83 37.21 1ii8 s LYS 22 CO 0.40 -0.63 1.09 -1.21 0.51 0.00 0.00 175.35 175.50 1ii8 s GLU 23 N -3.54 0.52 2.79 1.68 2.02 -1.26 -4.73 118.70 116.18 1ii8 s GLU 23 Ca 0.35 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.01 1ii8 s GLU 23 Cb 0.02 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1ii8 s GLU 23 CO 0.20 -2.70 0.00 0.41 0.02 0.00 0.00 175.26 173.18 1ii8 n GLY 24 N -0.86 0.08 3.29 -1.39 0.00 -1.26 -4.71 105.19 100.34 1ii8 n GLY 24 Ca 0.06 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1ii8 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ii8 s ILE 25 N 0.00 3.40 -0.45 -0.61 1.01 -1.26 -5.07 121.20 118.22 1ii8 s ILE 25 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1ii8 s ILE 25 Cb 0.00 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.86 1ii8 s ILE 25 CO 0.00 0.26 0.39 0.20 0.00 0.00 0.00 174.94 175.79 1ii8 s ASN 26 N 1.44 6.15 -0.06 3.58 0.02 -1.26 -5.05 114.94 119.76 1ii8 s ASN 26 Ca 0.03 -1.05 -0.21 0.00 -1.02 0.00 0.00 52.86 50.61 1ii8 s ASN 26 Cb -0.16 -2.19 -0.04 0.00 0.02 0.00 0.00 41.25 38.88 1ii8 s ASN 26 CO -0.02 -0.60 0.59 -0.22 0.02 0.00 0.00 177.10 176.87 1ii8 s LEU 27 N 1.82 4.35 -0.37 0.60 2.96 -1.26 -5.02 118.68 121.75 1ii8 s LEU 27 Ca 0.07 1.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.97 1ii8 s LEU 27 Cb -0.21 -2.89 0.07 0.00 0.50 0.00 0.00 46.19 43.65 1ii8 s LEU 27 CO 0.09 0.01 0.17 -0.63 -1.32 0.00 0.00 176.35 174.67 1ii8 s ILE 28 N 0.33 3.79 -0.20 6.68 1.01 -1.26 -5.07 121.20 126.48 1ii8 s ILE 28 Ca 0.31 -1.40 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 1ii8 s ILE 28 Cb -0.17 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1ii8 s ILE 28 CO 0.15 -0.37 0.09 -0.63 0.00 0.00 0.00 174.94 174.18 1ii8 s ILE 29 N 1.35 4.97 -0.14 2.92 1.01 -1.26 -5.08 121.20 124.98 1ii8 s ILE 29 Ca 0.01 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1ii8 s ILE 29 Cb -0.21 -3.26 0.11 0.00 0.01 0.00 0.00 42.46 39.10 1ii8 s ILE 29 CO 0.01 0.44 0.88 -0.83 0.00 0.00 0.00 174.94 175.44 1ii8 s GLY 30 N 0.51 -0.37 1.13 6.18 0.00 -1.26 -5.10 107.32 108.40 1ii8 s GLY 30 Ca 0.05 1.84 -0.12 0.00 0.00 0.00 0.00 44.72 46.48 1ii8 s GLY 30 CO 0.00 1.10 1.05 1.62 0.00 0.00 0.00 173.10 176.87 1ii8 s GLN 31 N -0.97 -0.62 0.80 2.90 0.74 -1.26 -4.92 119.66 116.33 1ii8 s GLN 31 Ca -0.04 0.89 -0.11 0.00 0.05 0.00 0.00 55.36 56.15 1ii8 s GLN 31 Cb -0.01 -1.58 0.07 0.00 1.10 0.00 0.00 33.01 32.59 1ii8 s GLN 31 CO 0.04 -3.54 1.11 1.21 -0.55 0.00 0.00 175.29 173.56 1ii8 s ASN 32 N -2.61 4.20 -1.37 6.67 3.84 -1.26 -3.16 114.94 121.25 1ii8 s ASN 32 Ca 0.68 1.91 -0.09 0.00 0.21 0.00 0.00 52.86 55.58 1ii8 s ASN 32 Cb -0.24 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 37.98 1ii8 s ASN 32 CO 0.63 -2.24 0.55 0.61 -2.79 0.00 0.00 177.10 173.86 1ii8 n GLY 33 N -0.87 -0.49 1.03 1.21 0.00 -1.26 -4.83 105.19 99.98 1ii8 n GLY 33 Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1ii8 n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ii8 n SER 34 N -2.38 3.95 0.00 1.61 3.41 -1.19 -4.97 113.62 114.04 1ii8 n SER 34 Ca -0.03 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1ii8 n SER 34 Cb 0.56 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1ii8 n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ii8 n GLY 35 N 0.16 2.98 0.11 5.00 0.00 -1.26 -4.96 105.19 107.22 1ii8 n GLY 35 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 1ii8 n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ii8 h LYS 36 N 0.68 -0.00 -1.05 1.61 2.10 -1.93 0.76 116.57 118.74 1ii8 h LYS 36 Ca 0.00 0.00 0.29 0.00 -2.00 0.00 0.00 60.65 58.94 1ii8 h LYS 36 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1ii8 h LYS 36 CO 0.00 -0.00 0.64 0.77 -2.00 0.00 0.00 179.45 178.86 1ii8 h SER 37 N -0.00 0.52 0.60 7.07 0.02 -1.97 0.27 113.55 120.05 1ii8 h SER 37 Ca 0.04 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1ii8 h SER 37 Cb 0.10 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1ii8 h SER 37 CO -0.23 0.03 -0.37 0.28 -1.14 0.00 0.00 176.83 175.39 1ii8 h SER 38 N 0.42 -0.94 -0.84 3.07 0.02 -0.09 -2.26 113.55 112.93 1ii8 h SER 38 Ca 0.66 0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.87 1ii8 h SER 38 Cb 1.55 0.28 -0.15 0.00 0.14 0.00 0.00 62.40 64.22 1ii8 h SER 38 CO -0.43 -0.58 -0.01 0.25 -1.14 0.00 0.00 176.83 174.93 1ii8 h LEU 39 N -0.92 -0.42 -0.73 5.07 6.46 0.32 0.65 115.31 125.73 1ii8 h LEU 39 Ca -0.07 0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1ii8 h LEU 39 Cb 0.75 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 1ii8 h LEU 39 CO 0.07 -0.23 0.42 -0.07 -0.62 0.00 0.00 178.44 178.01 1ii8 h LEU 40 N 0.07 0.63 -1.39 2.25 4.07 -1.04 -1.24 115.31 118.68 1ii8 h LEU 40 Ca 0.47 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.39 1ii8 h LEU 40 Cb 0.86 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 1ii8 h LEU 40 CO -0.76 0.40 -0.31 0.44 -1.08 0.00 0.00 178.44 177.14 1ii8 h ASP 41 N 0.77 0.00 0.12 -0.43 5.19 0.82 -1.03 116.42 121.85 1ii8 h ASP 41 Ca 0.33 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 1ii8 h ASP 41 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1ii8 h ASP 41 CO -0.19 0.31 -0.06 0.00 -3.12 0.00 0.00 179.24 176.18 1ii8 h ALA 42 N 1.69 -0.16 -0.27 3.45 0.00 -0.02 0.65 119.26 124.61 1ii8 h ALA 42 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ii8 h ALA 42 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ii8 h ALA 42 CO 0.04 -0.37 0.00 -0.89 0.00 0.00 0.00 179.25 178.03 1ii8 n ILE 43 N -4.97 0.00 -0.33 0.00 5.41 -0.72 0.18 119.36 118.94 1ii8 n ILE 43 Ca -0.09 1.45 0.09 0.00 1.00 0.00 0.00 62.75 65.21 1ii8 n ILE 43 Cb 0.24 -2.12 0.19 0.00 -0.71 0.00 0.00 39.64 37.24 1ii8 n ILE 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ii8 h LEU 44 N 0.00 -0.68 -0.24 1.39 3.38 -1.21 0.52 115.31 118.48 1ii8 h LEU 44 Ca 0.00 0.27 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1ii8 h LEU 44 Cb 0.00 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ii8 h LEU 44 CO 0.00 -0.32 -0.24 0.58 0.09 0.00 0.00 178.44 178.56 1ii8 h VAL 45 N 0.01 1.32 -0.74 1.22 2.07 -0.21 -1.82 116.25 118.10 1ii8 h VAL 45 Ca 0.50 -1.40 0.17 0.00 0.82 0.00 0.00 66.70 66.79 1ii8 h VAL 45 Cb 0.90 1.69 -0.12 0.00 -1.52 0.00 0.00 31.29 32.23 1ii8 h VAL 45 CO -0.92 0.44 0.05 1.23 0.02 0.00 0.00 177.57 178.38 1ii8 h GLY 46 N 0.28 0.89 1.14 2.17 0.00 0.68 0.13 103.07 108.36 1ii8 h GLY 46 Ca 0.04 0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 1ii8 h GLY 46 CO 0.06 -0.27 -0.49 1.41 0.00 0.00 0.00 176.54 177.26 1ii8 h LEU 47 N 0.14 0.99 -0.86 3.11 3.38 -0.78 -3.38 115.31 117.92 1ii8 h LEU 47 Ca 0.41 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ii8 h LEU 47 Cb 0.72 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ii8 h LEU 47 CO -0.62 1.31 -0.19 -1.22 0.09 0.00 0.00 178.44 177.80 1ii8 n TYR 48 N -4.03 0.00 -1.13 1.13 4.02 -0.70 -5.00 117.16 111.44 1ii8 n TYR 48 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.47 1ii8 n TYR 48 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.90 1ii8 n TYR 48 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1ii8 n TRP 49 N -0.11 -1.01 0.95 -0.72 -0.00 0.40 -1.44 117.44 115.51 1ii8 n TRP 49 Ca 0.05 0.68 0.11 0.00 -0.00 0.00 0.00 57.50 58.34 1ii8 n TRP 49 Cb 0.24 -1.57 0.31 0.00 -0.00 0.00 0.00 31.31 30.29 1ii8 n TRP 49 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1ii8 n PRO 50 N 0.96 1.95 -1.23 5.87 -0.04 -1.26 -4.73 135.00 136.52 1ii8 n PRO 50 Ca 0.13 -1.44 -0.36 0.00 -0.04 0.00 0.00 63.50 61.78 1ii8 n PRO 50 Cb 0.26 -1.42 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1ii8 n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ii8 n LEU 51 N 0.66 -0.21 -4.77 1.53 4.77 -0.52 -4.87 117.00 113.59 1ii8 n LEU 51 Ca 0.17 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.33 1ii8 n LEU 51 Cb 0.40 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 1ii8 n LEU 51 CO 0.13 -3.53 0.81 -0.60 -1.33 0.00 0.00 177.39 172.87 1ii8 s ARG 52 N -2.52 4.19 -0.05 3.23 3.52 -1.26 -4.94 118.95 121.12 1ii8 s ARG 52 Ca 0.62 1.75 0.01 0.00 -0.13 0.00 0.00 55.73 57.98 1ii8 s ARG 52 Cb -0.35 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1ii8 s ARG 52 CO 0.61 -0.17 -0.03 0.42 -0.81 0.00 0.00 175.30 175.31 1ii8 s ILE 53 N -1.43 0.49 0.00 4.11 1.01 -1.26 -5.03 121.20 119.09 1ii8 s ILE 53 Ca 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1ii8 s ILE 53 Cb -0.29 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1ii8 s ILE 53 CO 0.36 0.23 0.00 0.29 0.00 0.00 0.00 174.94 175.82 1ii8 n LYS 54 N 4.27 0.00 -1.86 2.79 4.76 -1.26 -1.67 118.16 125.19 1ii8 n LYS 54 Ca -0.22 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.21 1ii8 n LYS 54 Cb 0.51 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.72 1ii8 n LYS 54 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ii8 n ASP 55 N 8.30 0.03 -4.63 4.39 4.64 -1.26 -5.11 116.55 122.91 1ii8 n ASP 55 Ca 0.00 -2.05 -0.43 0.00 -1.38 0.00 0.00 54.79 50.93 1ii8 n ASP 55 Cb 0.00 0.04 -0.02 0.00 -1.04 0.00 0.00 41.12 40.10 1ii8 n ASP 55 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1ii8 s ILE 56 N -0.74 4.09 0.15 5.18 1.01 -0.67 -4.98 121.20 125.23 1ii8 s ILE 56 Ca 0.17 1.22 -0.33 0.00 0.00 0.00 0.00 60.65 61.71 1ii8 s ILE 56 Cb 0.27 -4.13 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 1ii8 s ILE 56 CO -0.09 -0.49 1.67 1.17 0.00 0.00 0.00 174.94 177.21 1ii8 n LYS 57 N 7.41 2.41 -0.31 2.79 4.81 -1.26 -4.79 118.16 129.21 1ii8 n LYS 57 Ca 0.15 0.87 0.12 0.00 -0.87 0.00 0.00 58.31 58.58 1ii8 n LYS 57 Cb 0.47 -2.68 0.30 0.00 0.02 0.00 0.00 35.03 33.13 1ii8 n LYS 57 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ii8 h LYS 58 N 6.74 0.51 -0.39 1.64 3.64 -1.99 0.22 116.57 126.94 1ii8 h LYS 58 Ca -0.45 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1ii8 h LYS 58 Cb 1.24 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1ii8 h LYS 58 CO 0.92 0.34 0.30 0.22 -2.27 0.00 0.00 179.45 178.96 1ii8 h ASP 59 N 0.53 0.00 -1.38 4.20 -0.00 -1.98 -2.28 116.42 115.51 1ii8 h ASP 59 Ca 0.55 0.00 0.40 0.00 -0.00 0.00 0.00 57.03 57.98 1ii8 h ASP 59 Cb 0.95 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.23 1ii8 h ASP 59 CO -0.46 0.00 1.08 -0.33 -0.00 0.00 0.00 179.24 179.53 1ii8 h GLU 60 N 0.00 0.00 0.00 0.28 5.08 -0.91 -2.51 114.58 116.52 1ii8 h GLU 60 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ii8 h GLU 60 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ii8 h GLU 60 CO -0.00 0.00 -0.13 1.19 -1.00 0.00 0.00 179.01 179.07 1ii8 n PHE 61 N -3.89 0.00 -0.05 4.33 3.01 -0.86 -4.52 117.46 115.47 1ii8 n PHE 61 Ca 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.75 1ii8 n PHE 61 Cb 1.52 -0.06 -0.01 0.00 -0.01 0.00 0.00 39.48 40.91 1ii8 n PHE 61 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ii8 n THR 62 N -2.78 -0.09 -0.05 4.37 -1.04 -1.08 -3.72 114.28 109.90 1ii8 n THR 62 Ca -0.02 0.77 -0.00 0.00 -2.04 0.00 0.00 64.05 62.76 1ii8 n THR 62 Cb 0.07 -0.99 -0.14 0.00 -1.82 0.00 0.00 70.33 67.45 1ii8 n THR 62 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ii8 n LYS 63 N -3.04 0.92 -1.94 -2.82 4.81 -0.97 -4.70 118.16 110.42 1ii8 n LYS 63 Ca 0.00 -0.08 -0.43 0.00 -0.87 0.00 0.00 58.31 56.93 1ii8 n LYS 63 Cb 0.03 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 1ii8 n LYS 63 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1ii8 s VAL 64 N -2.81 3.45 0.00 3.15 -7.23 -1.21 -4.83 120.40 110.92 1ii8 s VAL 64 Ca -0.07 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1ii8 s VAL 64 Cb 0.08 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1ii8 s VAL 64 CO 0.72 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 1ii8 n GLY 65 N 4.83 3.87 0.11 2.32 0.00 -1.26 -4.91 105.19 110.16 1ii8 n GLY 65 Ca 0.21 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1ii8 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii8 n ALA 66 N -1.45 1.14 -2.19 4.61 0.00 -1.26 -4.81 120.51 116.55 1ii8 n ALA 66 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1ii8 n ALA 66 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1ii8 n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ii8 n ARG 67 N -3.30 2.53 -3.19 0.00 3.00 -1.26 -4.82 116.66 109.63 1ii8 n ARG 67 Ca -0.25 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.25 1ii8 n ARG 67 Cb 1.05 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.45 1ii8 n ARG 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ii8 s ASP 68 N -1.00 6.92 -0.03 6.15 -0.00 -1.26 -4.44 116.67 123.01 1ii8 s ASP 68 Ca 0.00 1.28 -0.11 0.00 -0.00 0.00 0.00 52.55 53.71 1ii8 s ASP 68 Cb 0.00 -2.37 -0.05 0.00 -0.00 0.00 0.00 42.92 40.50 1ii8 s ASP 68 CO 0.00 -0.01 0.32 -0.89 -0.00 0.00 0.00 175.17 174.59 1ii8 s THR 69 N -1.63 5.20 -0.05 -1.27 2.01 -0.88 -4.58 115.64 114.45 1ii8 s THR 69 Ca 0.44 0.57 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 1ii8 s THR 69 Cb -0.15 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1ii8 s THR 69 CO 0.20 0.55 0.12 -0.47 -0.69 0.00 0.00 174.62 174.33 1ii8 s TYR 70 N -1.11 -0.13 -0.21 4.92 6.14 0.47 -1.52 117.35 125.92 1ii8 s TYR 70 Ca 0.22 0.35 -0.02 0.00 0.64 0.00 0.00 57.07 58.26 1ii8 s TYR 70 Cb -0.15 0.01 0.06 0.00 0.42 0.00 0.00 41.96 42.31 1ii8 s TYR 70 CO 0.11 -0.08 0.03 0.42 0.64 0.00 0.00 175.55 176.67 1ii8 s ILE 71 N 0.31 0.67 -0.17 3.14 1.01 0.31 -0.77 121.20 125.70 1ii8 s ILE 71 Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1ii8 s ILE 71 Cb -0.03 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1ii8 s ILE 71 CO -0.01 -0.23 -0.09 -0.62 0.00 0.00 0.00 174.94 173.98 1ii8 s ASP 72 N 1.78 4.10 -0.02 3.58 -1.08 0.84 -0.52 116.67 125.37 1ii8 s ASP 72 Ca -0.01 -0.37 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 1ii8 s ASP 72 Cb -0.17 -1.66 -0.01 0.00 -1.46 0.00 0.00 42.92 39.62 1ii8 s ASP 72 CO -0.09 0.08 -0.13 -0.22 0.52 0.00 0.00 175.17 175.32 1ii8 s LEU 73 N 0.90 1.98 -0.07 -1.34 2.96 -0.73 -0.12 118.68 122.25 1ii8 s LEU 73 Ca -0.02 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1ii8 s LEU 73 Cb -0.15 -0.70 0.02 0.00 0.50 0.00 0.00 46.19 45.86 1ii8 s LEU 73 CO 0.00 0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.44 1ii8 s ILE 74 N -0.20 1.03 0.34 6.68 1.01 0.06 -0.60 121.20 129.52 1ii8 s ILE 74 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1ii8 s ILE 74 Cb -0.06 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1ii8 s ILE 74 CO -0.00 0.34 0.46 2.22 0.00 0.00 0.00 174.94 177.96 1ii8 n PHE 75 N 4.02 -1.39 -3.80 3.97 1.16 0.12 -1.40 117.46 120.13 1ii8 n PHE 75 Ca -0.22 -2.27 -0.16 0.00 -1.87 0.00 0.00 57.45 52.93 1ii8 n PHE 75 Cb 0.51 0.52 -0.16 0.00 -1.61 0.00 0.00 39.48 38.74 1ii8 n PHE 75 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1ii8 s GLU 76 N -2.78 0.06 -0.07 3.97 2.12 -0.37 -0.04 118.70 121.59 1ii8 s GLU 76 Ca 0.28 0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 1ii8 s GLU 76 Cb -0.01 -0.36 0.03 0.00 0.26 0.00 0.00 34.13 34.05 1ii8 s GLU 76 CO 0.20 -0.18 -0.01 0.21 -0.54 0.00 0.00 175.26 174.94 1ii8 s LYS 77 N 1.21 0.66 -0.94 4.30 2.20 0.13 -1.99 119.74 125.30 1ii8 s LYS 77 Ca -0.07 0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1ii8 s LYS 77 Cb -0.13 -0.96 -0.03 0.00 -1.51 0.00 0.00 37.83 35.20 1ii8 s LYS 77 CO -0.03 -0.27 0.80 -0.25 -0.36 0.00 0.00 175.35 175.24 1ii8 n ASP 78 N 4.97 -6.70 0.00 1.43 8.00 -1.26 -2.45 116.55 120.54 1ii8 n ASP 78 Ca -0.10 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1ii8 n ASP 78 Cb 0.50 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1ii8 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ii8 n GLY 79 N -1.54 0.80 3.83 0.44 0.00 -1.26 -4.92 105.19 102.54 1ii8 n GLY 79 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1ii8 n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ii8 s THR 80 N -0.20 4.64 -0.29 2.61 2.01 -1.02 -5.06 115.64 118.34 1ii8 s THR 80 Ca 0.00 1.10 -0.03 0.00 0.31 0.00 0.00 61.69 63.07 1ii8 s THR 80 Cb 0.00 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.79 1ii8 s THR 80 CO 0.00 0.06 0.00 -0.75 -0.69 0.00 0.00 174.62 173.24 1ii8 s LYS 81 N -2.36 2.65 0.29 4.92 2.20 -1.26 0.19 119.74 126.36 1ii8 s LYS 81 Ca 0.47 -1.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.03 1ii8 s LYS 81 Cb -0.14 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1ii8 s LYS 81 CO 0.20 -0.54 0.19 0.71 -0.36 0.00 0.00 175.35 175.55 1ii8 s TYR 82 N 1.32 2.96 -0.11 4.03 1.51 0.94 -1.02 117.35 126.97 1ii8 s TYR 82 Ca -0.02 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1ii8 s TYR 82 Cb -0.18 -1.50 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1ii8 s TYR 82 CO -0.01 0.42 0.24 0.50 -1.11 0.00 0.00 175.55 175.59 1ii8 s ARG 83 N -3.86 0.16 0.16 -0.62 3.52 0.02 -0.70 118.95 117.62 1ii8 s ARG 83 Ca 0.35 0.62 0.05 0.00 -0.13 0.00 0.00 55.73 56.61 1ii8 s ARG 83 Cb -0.07 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.18 1ii8 s ARG 83 CO 0.24 -0.23 0.16 0.42 -0.81 0.00 0.00 175.30 175.08 1ii8 s ILE 84 N 1.83 4.62 -0.24 4.11 1.01 0.23 -1.71 121.20 131.05 1ii8 s ILE 84 Ca -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1ii8 s ILE 84 Cb -0.11 -3.35 0.10 0.00 0.01 0.00 0.00 42.46 39.10 1ii8 s ILE 84 CO -0.08 -0.09 0.20 -0.89 0.00 0.00 0.00 174.94 174.07 1ii8 s THR 85 N -1.73 -0.25 -0.33 2.92 2.01 -0.76 -1.78 115.64 115.72 1ii8 s THR 85 Ca 0.31 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 1ii8 s THR 85 Cb -0.10 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.64 1ii8 s THR 85 CO 0.24 -0.39 0.10 -0.13 -0.69 0.00 0.00 174.62 173.75 1ii8 s ARG 86 N 2.26 2.72 0.06 4.92 1.81 0.33 -3.50 118.95 127.54 1ii8 s ARG 86 Ca 0.07 -1.11 0.06 0.00 -1.72 0.00 0.00 55.73 53.03 1ii8 s ARG 86 Cb -0.15 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 30.88 1ii8 s ARG 86 CO -0.22 -0.61 -0.11 0.50 -0.68 0.00 0.00 175.30 174.18 1ii8 s ARG 87 N 1.42 2.25 -0.21 3.54 3.52 -1.02 -0.53 118.95 127.91 1ii8 s ARG 87 Ca -0.01 -0.92 -0.04 0.00 -0.13 0.00 0.00 55.73 54.64 1ii8 s ARG 87 Cb -0.19 -2.34 0.07 0.00 -1.56 0.00 0.00 34.95 30.93 1ii8 s ARG 87 CO 0.03 0.54 0.08 -0.06 -0.81 0.00 0.00 175.30 175.08 1ii8 s PHE 88 N -1.08 0.63 0.33 5.12 0.40 -0.57 -2.44 117.98 120.37 1ii8 s PHE 88 Ca 0.18 -0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 55.62 1ii8 s PHE 88 Cb -0.11 -0.93 -0.09 0.00 0.51 0.00 0.00 43.02 42.40 1ii8 s PHE 88 CO 0.10 -0.63 0.80 -0.51 0.70 0.00 0.00 175.22 175.68 1ii8 s LEU 89 N 1.99 4.09 0.35 -0.37 1.02 0.21 -2.06 118.68 123.90 1ii8 s LEU 89 Ca 0.03 1.43 0.07 0.00 0.02 0.00 0.00 54.13 55.68 1ii8 s LEU 89 Cb -0.16 -4.12 -0.07 0.00 0.02 0.00 0.00 46.19 41.86 1ii8 s LEU 89 CO -0.15 -0.20 -0.03 -0.54 0.02 0.00 0.00 176.35 175.46 1ii8 s LYS 90 N -2.83 1.78 2.37 1.70 1.02 -1.26 -1.14 119.74 121.38 1ii8 s LYS 90 Ca 0.54 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1ii8 s LYS 90 Cb -0.11 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 1ii8 s LYS 90 CO 0.17 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1ii8 n GLY 91 N -0.79 0.18 0.39 -3.33 0.00 -1.26 -3.70 105.19 96.68 1ii8 n GLY 91 Ca -0.05 -1.25 0.17 0.00 0.00 0.00 0.00 46.02 44.89 1ii8 n GLY 91 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ii8 h TYR 92 N 0.00 0.61 0.62 1.61 0.05 -2.00 -2.31 116.97 115.55 1ii8 h TYR 92 Ca 0.00 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1ii8 h TYR 92 Cb 0.00 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 37.56 1ii8 h TYR 92 CO 0.00 0.19 -0.30 0.77 -1.05 0.00 0.00 178.16 177.77 1ii8 h SER 93 N 0.48 -0.70 -5.84 3.88 0.02 -1.93 -3.49 113.55 105.97 1ii8 h SER 93 Ca 0.45 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1ii8 h SER 93 Cb 1.01 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ii8 h SER 93 CO -0.18 -0.32 -0.91 -1.20 -1.14 0.00 0.00 176.83 173.07 1ii8 n SER 94 N -5.23 -6.55 -3.55 3.07 7.64 -0.87 -4.94 113.62 103.19 1ii8 n SER 94 Ca -0.10 0.89 -0.13 0.00 1.01 0.00 0.00 58.87 60.53 1ii8 n SER 94 Cb 0.33 -3.05 -0.04 0.00 -1.01 0.00 0.00 64.21 60.44 1ii8 n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ii8 s GLY 95 N -1.00 -0.45 0.13 0.23 0.00 -0.29 -4.94 107.32 100.99 1ii8 s GLY 95 Ca -0.03 0.49 0.08 0.00 0.00 0.00 0.00 44.72 45.26 1ii8 s GLY 95 CO 0.31 0.18 -0.20 -0.54 0.00 0.00 0.00 173.10 172.86 1ii8 s GLU 96 N -2.93 1.18 -0.06 2.90 2.02 -1.26 0.64 118.70 121.20 1ii8 s GLU 96 Ca -0.03 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.68 1ii8 s GLU 96 Cb -0.00 -1.35 0.04 0.00 0.10 0.00 0.00 34.13 32.91 1ii8 s GLU 96 CO -0.06 0.30 0.11 0.42 0.02 0.00 0.00 175.26 176.05 1ii8 s ILE 97 N -1.56 -0.08 0.04 -1.63 1.01 -1.02 -4.98 121.20 112.98 1ii8 s ILE 97 Ca 0.10 0.23 0.05 0.00 0.00 0.00 0.00 60.65 61.02 1ii8 s ILE 97 Cb -0.08 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1ii8 s ILE 97 CO 0.05 0.09 -0.13 -1.00 0.00 0.00 0.00 174.94 173.95 1ii8 s HIS 98 N 1.35 1.15 -0.29 3.97 3.76 -1.26 -2.45 115.29 121.51 1ii8 s HIS 98 Ca -0.07 -0.37 -0.16 0.00 -0.15 0.00 0.00 55.06 54.31 1ii8 s HIS 98 Cb -0.12 -0.68 0.17 0.00 1.11 0.00 0.00 32.58 33.06 1ii8 s HIS 98 CO -0.05 0.03 1.09 0.00 -0.85 0.00 0.00 174.74 174.96 1ii8 s ALA 99 N -0.92 -2.42 -0.46 -1.40 0.00 -1.23 -4.24 121.76 111.09 1ii8 s ALA 99 Ca 0.00 2.11 0.03 0.00 0.00 0.00 0.00 51.96 54.10 1ii8 s ALA 99 Cb -0.08 -1.81 0.13 0.00 0.00 0.00 0.00 23.12 21.35 1ii8 s ALA 99 CO 0.01 -0.33 0.22 1.41 0.00 0.00 0.00 175.76 177.07 1ii8 s MET 100 N 1.19 1.60 0.45 0.00 1.75 -1.26 -1.82 119.30 121.22 1ii8 s MET 100 Ca -0.08 -2.23 -0.12 0.00 -1.25 0.00 0.00 55.69 52.01 1ii8 s MET 100 Cb -0.03 -2.87 -0.06 0.00 2.84 0.00 0.00 34.83 34.70 1ii8 s MET 100 CO -0.13 -1.10 0.85 0.15 -0.65 0.00 0.00 175.02 174.14 1ii8 s LYS 101 N 0.18 3.80 0.26 4.11 1.02 -0.69 -2.84 119.74 125.57 1ii8 s LYS 101 Ca 0.16 0.60 0.09 0.00 0.02 0.00 0.00 55.97 56.84 1ii8 s LYS 101 Cb -0.24 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1ii8 s LYS 101 CO -0.02 -0.15 0.04 -0.98 -0.92 0.00 0.00 175.35 173.32 1ii8 s ARG 102 N -4.06 2.43 -0.42 1.68 1.70 0.43 -0.80 118.95 119.91 1ii8 s ARG 102 Ca 0.53 -1.32 -0.10 0.00 -0.47 0.00 0.00 55.73 54.38 1ii8 s ARG 102 Cb -0.10 -2.26 0.07 0.00 -0.57 0.00 0.00 34.95 32.09 1ii8 s ARG 102 CO 0.34 0.38 0.27 -1.17 -1.08 0.00 0.00 175.30 174.03 1ii8 s LEU 103 N -3.64 5.15 -0.20 -1.89 2.96 -0.19 -1.11 118.68 119.76 1ii8 s LEU 103 Ca 0.31 -1.44 -0.06 0.00 -0.22 0.00 0.00 54.13 52.72 1ii8 s LEU 103 Cb -0.07 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1ii8 s LEU 103 CO 0.21 -0.53 0.03 0.68 -1.32 0.00 0.00 176.35 175.41 1ii8 s VAL 104 N 1.46 4.31 0.00 1.68 -7.23 -1.17 -4.66 120.40 114.78 1ii8 s VAL 104 Ca 0.03 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1ii8 s VAL 104 Cb -0.23 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1ii8 s VAL 104 CO 0.03 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 1ii8 n GLY 105 N 4.03 0.98 0.00 2.32 0.00 -1.26 -2.60 105.19 108.65 1ii8 n GLY 105 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ii8 n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ii8 n ASN 106 N 9.34 0.11 -4.70 1.61 5.15 -1.26 -5.07 115.26 120.44 1ii8 n ASN 106 Ca 0.00 -0.90 -0.28 0.00 -0.60 0.00 0.00 54.58 52.80 1ii8 n ASN 106 Cb 0.00 0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.19 1ii8 n ASN 106 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ii8 s GLU 107 N -0.01 2.56 -0.35 1.20 2.12 -1.07 -5.09 118.70 118.06 1ii8 s GLU 107 Ca 0.00 -0.94 -0.17 0.00 0.36 0.00 0.00 54.97 54.22 1ii8 s GLU 107 Cb 0.00 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.89 1ii8 s GLU 107 CO 0.00 0.50 0.44 -1.58 -0.54 0.00 0.00 175.26 174.08 1ii8 s TRP 108 N -1.55 3.19 0.01 5.30 0.52 -1.26 -3.07 118.94 122.08 1ii8 s TRP 108 Ca 0.27 0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.46 1ii8 s TRP 108 Cb -0.10 -2.80 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 1ii8 s TRP 108 CO 0.19 -0.49 0.12 0.15 0.02 0.00 0.00 176.95 176.94 1ii8 s LYS 109 N 2.21 3.18 1.29 4.98 1.02 -0.27 -4.84 119.74 127.31 1ii8 s LYS 109 Ca 0.15 -0.46 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 1ii8 s LYS 109 Cb -0.16 -2.93 0.30 0.00 -0.52 0.00 0.00 37.83 34.53 1ii8 s LYS 109 CO 0.12 0.64 0.77 0.72 -0.92 0.00 0.00 175.35 176.69 1ii8 n HIS 110 N 0.96 -2.48 -2.02 3.18 8.25 -1.26 0.16 115.22 122.01 1ii8 n HIS 110 Ca -0.11 -0.39 -0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1ii8 n HIS 110 Cb 0.52 -1.50 -0.00 0.00 1.12 0.00 0.00 29.99 30.13 1ii8 n HIS 110 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1ii8 n VAL 111 N -5.26 0.00 0.00 1.59 0.24 -1.13 -4.30 118.33 109.47 1ii8 n VAL 111 Ca 0.07 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1ii8 n VAL 111 Cb 0.56 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1ii8 n VAL 111 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1ii8 n THR 112 N 0.02 0.00 -1.45 3.34 5.66 -1.26 -4.99 114.28 115.60 1ii8 n THR 112 Ca -0.01 0.00 -0.56 0.00 -3.05 0.00 0.00 64.05 60.43 1ii8 n THR 112 Cb 0.64 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.34 1ii8 n THR 112 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ii8 n GLU 113 N -0.71 0.00 -0.09 1.09 2.13 -1.26 -4.59 120.64 117.21 1ii8 n GLU 113 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ii8 n GLU 113 Cb 0.00 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1ii8 n GLU 113 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1ii8 n PRO 114 N 2.71 0.20 -3.24 5.31 -0.04 -1.26 -4.15 135.00 134.53 1ii8 n PRO 114 Ca 0.24 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 1ii8 n PRO 114 Cb -0.01 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1ii8 n PRO 114 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ii8 s SER 115 N 1.87 5.02 -0.07 3.54 1.04 -1.26 -4.16 113.70 119.68 1ii8 s SER 115 Ca 0.00 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.41 1ii8 s SER 115 Cb 0.00 0.26 -0.29 0.00 0.10 0.00 0.00 66.02 66.09 1ii8 s SER 115 CO 0.00 -1.25 0.58 -1.28 0.98 0.00 0.00 173.24 172.27 1ii8 h SER 116 N 0.35 0.54 0.09 7.02 0.87 -1.88 -3.09 113.55 117.45 1ii8 h SER 116 Ca -0.32 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.31 1ii8 h SER 116 Cb 1.29 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1ii8 h SER 116 CO 0.45 1.79 -0.09 0.50 -0.53 0.00 0.00 176.83 178.95 1ii8 h LYS 117 N 0.04 -0.19 -0.02 2.24 3.64 -1.97 -2.43 116.57 117.88 1ii8 h LYS 117 Ca -0.36 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1ii8 h LYS 117 Cb 2.04 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1ii8 h LYS 117 CO 0.14 -0.13 -0.10 0.00 -2.27 0.00 0.00 179.45 177.09 1ii8 h ALA 118 N 0.70 -0.53 -0.77 5.00 0.00 -1.81 -1.58 119.26 120.26 1ii8 h ALA 118 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1ii8 h ALA 118 Cb 0.19 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 1ii8 h ALA 118 CO -0.02 -0.57 -0.09 0.82 0.00 0.00 0.00 179.25 179.39 1ii8 h ILE 119 N -0.12 0.27 -0.36 0.00 2.04 -1.58 0.14 117.51 117.91 1ii8 h ILE 119 Ca 0.00 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1ii8 h ILE 119 Cb 0.13 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1ii8 h ILE 119 CO -0.08 0.01 -0.04 -1.28 0.00 0.00 0.00 178.15 176.76 1ii8 h SER 120 N 0.05 -0.22 0.60 1.72 0.87 -1.04 0.19 113.55 115.71 1ii8 h SER 120 Ca 0.40 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 1ii8 h SER 120 Cb 0.68 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1ii8 h SER 120 CO -0.74 -0.07 -0.47 0.00 -0.53 0.00 0.00 176.83 175.02 1ii8 h ALA 121 N 1.33 -1.19 -0.83 6.23 0.00 0.17 -1.11 119.26 123.86 1ii8 h ALA 121 Ca 0.17 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.12 1ii8 h ALA 121 Cb 0.25 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1ii8 h ALA 121 CO -0.32 -1.19 0.81 0.35 0.00 0.00 0.00 179.25 178.90 1ii8 h PHE 122 N -1.04 0.00 0.06 0.00 3.04 -0.09 1.57 116.94 120.49 1ii8 h PHE 122 Ca -0.08 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.59 1ii8 h PHE 122 Cb 0.87 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.40 1ii8 h PHE 122 CO -0.17 0.00 -1.12 0.52 -2.02 0.00 0.00 178.31 175.51 1ii8 h MET 123 N 0.00 0.66 0.00 1.11 2.86 0.38 -2.71 114.93 117.22 1ii8 h MET 123 Ca 0.39 -0.79 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1ii8 h MET 123 Cb 2.01 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.92 1ii8 h MET 123 CO -0.00 1.35 0.00 -1.91 1.06 0.00 0.00 176.91 177.40 1ii8 n GLU 124 N -3.84 0.07 -0.14 1.72 4.07 0.53 -1.04 120.64 122.01 1ii8 n GLU 124 Ca -0.12 0.20 -0.28 0.00 -0.06 0.00 0.00 57.16 56.90 1ii8 n GLU 124 Cb 0.92 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 30.70 1ii8 n GLU 124 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ii8 n LYS 125 N -1.23 0.59 0.19 5.31 4.81 -1.04 -4.21 118.16 122.57 1ii8 n LYS 125 Ca 0.02 0.24 0.06 0.00 -0.87 0.00 0.00 58.31 57.76 1ii8 n LYS 125 Cb 0.03 -1.48 0.35 0.00 0.02 0.00 0.00 35.03 33.95 1ii8 n LYS 125 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1ii8 h LEU 126 N -0.83 0.00 -5.05 3.14 5.85 -1.01 -3.42 115.31 114.00 1ii8 h LEU 126 Ca -0.68 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.11 1ii8 h LEU 126 Cb 1.65 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.52 1ii8 h LEU 126 CO -0.37 0.36 -0.09 -0.51 -0.34 0.00 0.00 178.44 177.49 1ii8 s ILE 127 N -3.61 -0.13 0.17 4.05 2.07 -0.21 -5.09 121.20 118.45 1ii8 s ILE 127 Ca 0.00 -0.09 -0.28 0.00 -1.41 0.00 0.00 60.65 58.87 1ii8 s ILE 127 Cb 0.11 0.00 -0.17 0.00 0.13 0.00 0.00 42.46 42.53 1ii8 s ILE 127 CO 0.68 0.00 0.56 -0.81 -1.91 0.00 0.00 174.94 173.46 1ii8 n PRO 128 N 2.94 0.00 0.23 3.50 -0.04 -1.24 -4.70 135.00 135.69 1ii8 n PRO 128 Ca 0.09 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.71 1ii8 n PRO 128 Cb 0.65 -1.02 0.84 0.00 -0.04 0.00 0.00 33.50 33.93 1ii8 n PRO 128 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1ii8 h TYR 129 N 1.18 0.00 -0.00 0.54 5.03 -1.89 -2.10 116.97 119.72 1ii8 h TYR 129 Ca -0.29 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.02 1ii8 h TYR 129 Cb 1.39 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.67 1ii8 h TYR 129 CO 0.42 0.00 -0.31 -1.71 -1.32 0.00 0.00 178.16 175.24 1ii8 n ASN 130 N -3.86 0.71 -0.12 -2.11 5.15 -1.26 -3.53 115.26 110.24 1ii8 n ASN 130 Ca 0.00 -0.55 -0.15 0.00 -0.60 0.00 0.00 54.58 53.28 1ii8 n ASN 130 Cb 0.25 0.12 -0.13 0.00 -0.53 0.00 0.00 39.78 39.48 1ii8 n ASN 130 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1ii8 n ILE 131 N -1.03 1.44 0.00 -1.44 -0.00 -0.81 -4.07 119.36 113.45 1ii8 n ILE 131 Ca 0.10 -0.68 0.00 0.00 -0.00 0.00 0.00 62.75 62.17 1ii8 n ILE 131 Cb 0.33 -1.05 0.00 0.00 -0.00 0.00 0.00 39.64 38.92 1ii8 n ILE 131 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1ii8 n PHE 132 N -3.06 0.00 0.31 1.39 -0.00 -1.07 -2.81 117.46 112.22 1ii8 n PHE 132 Ca -0.41 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.13 1ii8 n PHE 132 Cb 1.05 -0.43 0.49 0.00 -0.00 0.00 0.00 39.48 40.59 1ii8 n PHE 132 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1ii8 h LEU 133 N 0.00 0.00 -4.98 -2.13 3.38 -1.83 -1.29 115.31 108.46 1ii8 h LEU 133 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1ii8 h LEU 133 Cb 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.35 1ii8 h LEU 133 CO 0.00 0.00 -1.11 0.59 0.09 0.00 0.00 178.44 178.01 1ii8 n ASN 134 N -2.63 2.04 0.00 -0.43 5.03 -1.23 -4.27 115.26 113.77 1ii8 n ASN 134 Ca -0.01 -2.73 0.00 0.00 0.87 0.00 0.00 54.58 52.71 1ii8 n ASN 134 Cb 0.57 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 1ii8 n ASN 134 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ii8 n ALA 135 N -0.27 0.00 -0.08 5.41 0.00 -1.08 -4.87 120.51 119.62 1ii8 n ALA 135 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 1ii8 n ALA 135 Cb 0.80 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.13 1ii8 n ALA 135 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ii8 n ILE 136 N -1.01 1.61 -3.00 0.00 5.41 -0.55 -4.69 119.36 117.12 1ii8 n ILE 136 Ca 0.00 -0.51 -0.44 0.00 1.00 0.00 0.00 62.75 62.80 1ii8 n ILE 136 Cb 0.00 -1.68 -0.01 0.00 -0.71 0.00 0.00 39.64 37.24 1ii8 n ILE 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1ii8 s TYR 137 N -2.51 3.50 -0.62 1.39 5.04 -0.84 -4.95 117.35 118.36 1ii8 s TYR 137 Ca -0.30 -2.01 -0.26 0.00 -2.44 0.00 0.00 57.07 52.06 1ii8 s TYR 137 Cb 0.09 -4.23 -0.02 0.00 0.35 0.00 0.00 41.96 38.14 1ii8 s TYR 137 CO 0.64 -1.35 1.85 0.42 -1.34 0.00 0.00 175.55 175.77 1ii8 s ILE 138 N 1.48 3.36 0.76 3.14 1.09 -1.26 -4.66 121.20 125.11 1ii8 s ILE 138 Ca 0.38 0.19 -0.12 0.00 -1.10 0.00 0.00 60.65 60.00 1ii8 s ILE 138 Cb -0.04 -3.96 0.05 0.00 -1.06 0.00 0.00 42.46 37.45 1ii8 s ILE 138 CO -0.04 -0.93 1.11 -0.60 -0.10 0.00 0.00 174.94 174.38 1ii8 s ARG 139 N 7.02 2.26 0.81 2.79 3.52 -1.26 -4.97 118.95 129.11 1ii8 s ARG 139 Ca 0.67 1.30 -0.14 0.00 -0.13 0.00 0.00 55.73 57.42 1ii8 s ARG 139 Cb -0.12 -1.89 0.02 0.00 -1.56 0.00 0.00 34.95 31.40 1ii8 s ARG 139 CO 0.20 -1.66 0.72 0.94 -0.81 0.00 0.00 175.30 174.69 1ii8 n GLN 140 N -3.27 0.13 -1.39 5.12 7.27 -1.26 -3.23 117.38 120.75 1ii8 n GLN 140 Ca 0.10 0.10 -0.07 0.00 0.07 0.00 0.00 57.00 57.20 1ii8 n GLN 140 Cb 0.52 -2.04 -0.03 0.00 2.41 0.00 0.00 30.24 31.11 1ii8 n GLN 140 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ii8 n GLY 141 N 1.25 0.48 0.13 1.69 0.00 -1.26 -4.76 105.19 102.73 1ii8 n GLY 141 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1ii8 n GLY 141 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ii8 h GLN 142 N 0.00 0.31 0.01 1.61 4.20 -1.94 -2.72 115.11 116.58 1ii8 h GLN 142 Ca -0.14 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.05 1ii8 h GLN 142 Cb 0.55 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1ii8 h GLN 142 CO 0.20 1.25 -0.07 0.82 -0.67 0.00 0.00 178.83 180.37 1ii8 h ILE 143 N -0.17 0.00 -1.00 2.54 2.04 -1.86 -1.26 117.51 117.80 1ii8 h ILE 143 Ca -0.30 0.00 0.30 0.00 1.00 0.00 0.00 64.86 65.85 1ii8 h ILE 143 Cb 1.87 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.81 1ii8 h ILE 143 CO 0.11 0.00 0.58 0.44 0.00 0.00 0.00 178.15 179.28 1ii8 h ASP 144 N -0.10 0.57 0.01 1.72 5.19 -1.95 1.10 116.42 122.97 1ii8 h ASP 144 Ca -0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1ii8 h ASP 144 Cb 0.10 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1ii8 h ASP 144 CO -0.04 -0.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.03 1ii8 n ALA 145 N -2.30 1.20 -0.04 3.45 0.00 -0.50 -0.14 120.51 122.19 1ii8 n ALA 145 Ca 0.30 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1ii8 n ALA 145 Cb 0.90 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 1ii8 n ALA 145 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ii8 n ILE 146 N -1.32 0.45 -0.40 0.00 5.41 0.38 -3.52 119.36 120.36 1ii8 n ILE 146 Ca 0.00 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 1ii8 n ILE 146 Cb 0.00 -0.19 0.12 0.00 -0.71 0.00 0.00 39.64 38.87 1ii8 n ILE 146 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ii8 n LEU 147 N -2.29 5.31 -3.48 1.39 4.77 0.81 -4.76 117.00 118.75 1ii8 n LEU 147 Ca -0.12 -2.80 0.01 0.00 -0.03 0.00 0.00 56.01 53.06 1ii8 n LEU 147 Cb 0.68 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1ii8 n LEU 147 CO 0.34 0.83 0.23 -0.70 -1.33 0.00 0.00 177.39 176.76 1ii8 s GLU 148 N -2.08 0.58 1.81 3.23 2.12 -1.12 -5.00 118.70 118.23 1ii8 s GLU 148 Ca 0.36 1.31 0.00 0.00 0.36 0.00 0.00 54.97 57.00 1ii8 s GLU 148 Cb 0.30 0.77 0.00 0.00 0.26 0.00 0.00 34.13 35.46 1ii8 s GLU 148 CO 0.07 -0.34 0.00 -1.13 -0.54 0.00 0.00 175.26 173.32 1ii8 n SER 149 N 5.44 -3.39 0.00 -1.70 3.41 -1.26 -4.38 113.62 111.73 1ii8 n SER 149 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1ii8 n SER 149 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1ii8 n SER 149 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ii8 n ASP 150 N -1.56 1.59 -0.00 4.04 8.00 -1.26 -4.66 116.55 122.70 1ii8 n ASP 150 Ca 0.00 -0.11 0.09 0.00 0.71 0.00 0.00 54.79 55.49 1ii8 n ASP 150 Cb 0.00 0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 41.52 1ii8 n ASP 150 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ii8 n GLU 151 N -0.69 0.53 0.20 -1.24 2.13 -1.26 -2.54 120.64 117.77 1ii8 n GLU 151 Ca 0.00 -0.02 0.04 0.00 0.66 0.00 0.00 57.16 57.84 1ii8 n GLU 151 Cb 0.00 -1.43 0.40 0.00 0.27 0.00 0.00 31.44 30.68 1ii8 n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ii8 h ALA 152 N 2.68 1.38 0.07 4.31 0.00 -1.81 0.35 119.26 126.23 1ii8 h ALA 152 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ii8 h ALA 152 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ii8 h ALA 152 CO 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 1ii8 h ARG 153 N 0.00 -0.09 -1.45 0.00 3.08 -1.60 -1.68 114.38 112.63 1ii8 h ARG 153 Ca -0.00 0.01 0.44 0.00 0.07 0.00 0.00 59.98 60.49 1ii8 h ARG 153 Cb 0.62 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 1ii8 h ARG 153 CO 0.04 0.19 1.00 1.49 -1.07 0.00 0.00 179.97 181.62 1ii8 h GLU 154 N -1.00 0.07 0.52 0.04 4.81 -1.32 0.87 114.58 118.57 1ii8 h GLU 154 Ca -0.01 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1ii8 h GLU 154 Cb 0.32 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1ii8 h GLU 154 CO 0.02 0.05 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.87 1ii8 h LYS 155 N 0.07 -0.67 0.03 1.92 3.64 -0.86 0.37 116.57 121.07 1ii8 h LYS 155 Ca 0.78 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 60.21 1ii8 h LYS 155 Cb 2.75 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 34.70 1ii8 h LYS 155 CO -0.20 -0.45 -0.26 0.28 -2.27 0.00 0.00 179.45 176.56 1ii8 h VAL 156 N -0.85 0.00 -0.74 2.00 2.07 0.13 -0.67 116.25 118.19 1ii8 h VAL 156 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 1ii8 h VAL 156 Cb 0.53 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.16 1ii8 h VAL 156 CO 0.12 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 178.09 1ii8 h VAL 157 N -0.34 0.25 -0.92 2.57 2.07 0.28 0.18 116.25 120.34 1ii8 h VAL 157 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1ii8 h VAL 157 Cb 0.35 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 1ii8 h VAL 157 CO -0.15 0.00 0.54 -0.09 0.02 0.00 0.00 177.57 177.89 1ii8 h ARG 158 N -0.01 0.80 0.00 1.57 2.43 0.63 0.22 114.38 120.03 1ii8 h ARG 158 Ca 0.35 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1ii8 h ARG 158 Cb 0.54 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ii8 h ARG 158 CO -0.76 0.53 0.00 0.39 -1.51 0.00 0.00 179.97 178.62 1ii8 n GLU 159 N -4.73 0.00 -0.37 0.20 -0.58 0.44 -0.23 120.64 115.37 1ii8 n GLU 159 Ca 0.18 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.86 1ii8 n GLU 159 Cb 0.38 -0.71 -0.03 0.00 -0.57 0.00 0.00 31.44 30.51 1ii8 n GLU 159 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ii8 n VAL 160 N -0.48 -0.56 1.04 2.62 0.31 0.00 0.11 118.33 121.38 1ii8 n VAL 160 Ca 0.00 2.17 0.07 0.00 -0.01 0.00 0.00 64.34 66.57 1ii8 n VAL 160 Cb 0.00 -2.76 0.41 0.00 -0.91 0.00 0.00 33.84 30.58 1ii8 n VAL 160 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ii8 n LEU 161 N -5.23 0.00 -3.19 7.52 0.00 0.75 -4.86 117.00 111.99 1ii8 n LEU 161 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.88 1ii8 n LEU 161 Cb 0.29 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.79 1ii8 n LEU 161 CO -0.14 0.00 0.16 -3.20 0.00 0.00 0.00 177.39 174.22 1ii8 n ASN 162 N -0.91 -4.13 -1.07 1.96 4.05 0.31 -4.93 115.26 110.53 1ii8 n ASN 162 Ca 0.10 -0.51 0.12 0.00 0.45 0.00 0.00 54.58 54.74 1ii8 n ASN 162 Cb 0.05 -4.54 0.23 0.00 1.23 0.00 0.00 39.78 36.75 1ii8 n ASN 162 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ii8 n LEU 163 N -4.15 3.22 0.00 1.20 4.77 0.68 -4.58 117.00 118.13 1ii8 n LEU 163 Ca -0.11 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1ii8 n LEU 163 Cb 0.60 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ii8 n LEU 163 CO 0.56 0.68 0.49 -0.67 -1.33 0.00 0.00 177.39 177.12 1ii8 n ASP 164 N 1.34 0.00 0.00 -1.43 4.64 -1.11 -3.81 116.55 116.18 1ii8 n ASP 164 Ca 0.19 0.97 0.00 0.00 -1.38 0.00 0.00 54.79 54.57 1ii8 n ASP 164 Cb 0.57 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 40.18 1ii8 n ASP 164 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1ii8 n LYS 165 N -2.08 0.00 0.00 -0.67 5.02 -1.26 -1.39 118.16 117.78 1ii8 n LYS 165 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1ii8 n LYS 165 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1ii8 n LYS 165 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ii8 n PHE 166 N -1.38 0.00 -0.39 2.13 0.99 -1.25 -1.20 117.46 116.36 1ii8 n PHE 166 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 1ii8 n PHE 166 Cb 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 39.48 38.26 1ii8 n PHE 166 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1ii8 n GLU 167 N -2.39 -0.27 0.23 -1.08 4.07 -0.48 0.88 120.64 121.59 1ii8 n GLU 167 Ca 0.00 1.51 0.06 0.00 -0.06 0.00 0.00 57.16 58.67 1ii8 n GLU 167 Cb 0.00 -2.24 0.53 0.00 -0.06 0.00 0.00 31.44 29.67 1ii8 n GLU 167 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ii8 h THR 168 N 0.00 1.10 -0.21 6.31 1.35 -1.05 0.26 112.91 120.66 1ii8 h THR 168 Ca 0.31 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1ii8 h THR 168 Cb 0.55 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1ii8 h THR 168 CO -0.97 0.15 0.14 0.00 -0.25 0.00 0.00 175.52 174.60 1ii8 h ALA 169 N 1.84 0.27 -0.24 6.62 0.00 0.14 -0.66 119.26 127.23 1ii8 h ALA 169 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ii8 h ALA 169 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ii8 h ALA 169 CO 0.02 -0.26 -0.15 -0.92 0.00 0.00 0.00 179.25 177.95 1ii8 h TYR 170 N 0.28 0.44 0.00 0.00 -0.00 -0.22 -2.21 116.97 115.26 1ii8 h TYR 170 Ca 0.08 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.73 58.69 1ii8 h TYR 170 Cb -0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 36.73 36.57 1ii8 h TYR 170 CO -0.07 0.54 -0.27 0.87 -0.00 0.00 0.00 178.16 179.23 1ii8 h LYS 171 N 0.38 0.00 0.02 1.82 6.56 0.61 -0.77 116.57 125.19 1ii8 h LYS 171 Ca 0.07 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.45 1ii8 h LYS 171 Cb 0.49 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1ii8 h LYS 171 CO 0.03 0.27 -1.14 0.87 -2.06 0.00 0.00 179.45 177.43 1ii8 h LYS 172 N 0.00 0.05 -0.80 3.15 1.79 -0.83 -2.66 116.57 117.28 1ii8 h LYS 172 Ca -0.00 -0.09 0.08 0.00 -2.18 0.00 0.00 60.65 58.46 1ii8 h LYS 172 Cb 0.58 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.21 1ii8 h LYS 172 CO 0.04 1.04 0.52 -0.07 -1.08 0.00 0.00 179.45 179.90 1ii8 h LEU 173 N -0.83 0.71 -0.42 2.94 3.38 -1.44 0.37 115.31 120.03 1ii8 h LEU 173 Ca -0.29 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1ii8 h LEU 173 Cb 1.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1ii8 h LEU 173 CO -0.12 0.44 0.10 -1.28 0.09 0.00 0.00 178.44 177.67 1ii8 h SER 174 N 0.80 0.64 0.22 -0.43 0.87 -1.25 -1.45 113.55 112.95 1ii8 h SER 174 Ca 0.36 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1ii8 h SER 174 Cb 0.36 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1ii8 h SER 174 CO -0.14 0.71 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.35 1ii8 h GLU 175 N 0.54 0.00 -0.02 2.24 5.08 -0.63 -1.85 114.58 119.94 1ii8 h GLU 175 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1ii8 h GLU 175 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ii8 h GLU 175 CO 0.00 0.19 -0.54 1.25 -1.00 0.00 0.00 179.01 178.91 1ii8 h LEU 176 N 0.00 0.05 0.00 1.33 6.46 0.52 -1.35 115.31 122.32 1ii8 h LEU 176 Ca -0.00 -0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.60 1ii8 h LEU 176 Cb 0.35 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1ii8 h LEU 176 CO 0.02 0.58 -0.52 0.50 -0.62 0.00 0.00 178.44 178.40 1ii8 h LYS 177 N 0.04 0.35 -0.69 1.25 3.64 -0.51 -2.70 116.57 117.95 1ii8 h LYS 177 Ca -0.00 -0.38 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1ii8 h LYS 177 Cb 0.97 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1ii8 h LYS 177 CO 0.07 1.06 0.42 -0.22 -2.27 0.00 0.00 179.45 178.52 1ii8 h LYS 178 N -0.20 0.78 0.00 1.90 3.11 -1.36 0.44 116.57 121.24 1ii8 h LYS 178 Ca -0.07 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1ii8 h LYS 178 Cb 1.25 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1ii8 h LYS 178 CO 0.10 0.52 0.00 -2.37 -2.81 0.00 0.00 179.45 174.89 1ii8 n THR 179 N -4.70 0.99 -0.06 1.00 5.66 -0.52 -1.79 114.28 114.87 1ii8 n THR 179 Ca 0.08 0.41 -0.03 0.00 -3.05 0.00 0.00 64.05 61.46 1ii8 n THR 179 Cb 0.11 -1.35 -0.01 0.00 -1.55 0.00 0.00 70.33 67.53 1ii8 n THR 179 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1ii8 h ILE 180 N 0.00 0.00 -0.92 1.09 2.04 0.11 -3.30 117.51 116.54 1ii8 h ILE 180 Ca 0.00 -0.95 0.26 0.00 1.00 0.00 0.00 64.86 65.17 1ii8 h ILE 180 Cb 0.21 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.14 1ii8 h ILE 180 CO 0.00 0.00 0.18 0.78 0.00 0.00 0.00 178.15 179.11 1ii8 h ASN 181 N -0.95 -0.16 0.10 1.72 2.35 -0.75 0.36 115.58 118.25 1ii8 h ASN 181 Ca 0.00 0.23 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1ii8 h ASN 181 Cb 0.28 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1ii8 h ASN 181 CO 0.00 -0.25 -0.22 0.78 -1.65 0.00 0.00 177.43 176.09 1ii8 h ASN 182 N 0.12 -0.62 -0.89 5.81 -0.26 -1.53 0.34 115.58 118.55 1ii8 h ASN 182 Ca 0.58 0.07 0.18 0.00 -0.56 0.00 0.00 56.30 56.58 1ii8 h ASN 182 Cb 1.22 0.24 -0.11 0.00 -1.06 0.00 0.00 38.32 38.61 1ii8 h ASN 182 CO -0.75 -0.30 0.45 0.03 -1.06 0.00 0.00 177.43 175.79 1ii8 h ARG 183 N -0.40 0.54 0.51 0.81 2.47 -0.44 0.29 114.38 118.16 1ii8 h ARG 183 Ca 0.03 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1ii8 h ARG 183 Cb 0.43 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1ii8 h ARG 183 CO -0.13 0.36 -0.25 0.82 0.56 0.00 0.00 179.97 181.33 1ii8 h ILE 184 N 0.56 0.00 -1.00 2.04 2.04 -0.00 -0.11 117.51 121.04 1ii8 h ILE 184 Ca 0.52 -0.01 0.35 0.00 1.00 0.00 0.00 64.86 66.72 1ii8 h ILE 184 Cb 0.86 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.76 1ii8 h ILE 184 CO -0.43 0.00 0.32 0.50 0.00 0.00 0.00 178.15 178.54 1ii8 h LYS 185 N -0.70 0.01 0.71 2.37 3.11 0.69 0.56 116.57 123.33 1ii8 h LYS 185 Ca -0.07 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.73 1ii8 h LYS 185 Cb 0.53 -0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1ii8 h LYS 185 CO 0.12 0.01 -0.34 0.93 -2.81 0.00 0.00 179.45 177.35 1ii8 h GLU 186 N 0.01 -0.92 0.00 1.90 4.39 -0.09 -1.89 114.58 117.98 1ii8 h GLU 186 Ca 0.74 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.50 1ii8 h GLU 186 Cb 1.80 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1ii8 h GLU 186 CO -0.83 -0.59 0.19 1.88 -1.16 0.00 0.00 179.01 178.49 1ii8 h TYR 187 N -1.15 0.00 0.01 4.33 -1.99 0.19 -1.66 116.97 116.70 1ii8 h TYR 187 Ca -0.10 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 1ii8 h TYR 187 Cb 0.76 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.49 1ii8 h TYR 187 CO -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.15 1ii8 h ARG 188 N 0.00 -0.02 -0.14 4.88 -0.00 -0.25 -3.14 114.38 115.72 1ii8 h ARG 188 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.52 1ii8 h ARG 188 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 1ii8 h ARG 188 CO 0.00 -0.01 0.40 -0.44 0.00 0.00 0.00 179.97 179.92 1ii8 h ASP 189 N -0.43 0.00 0.18 7.04 3.32 -0.54 0.14 116.42 126.13 1ii8 h ASP 189 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.76 1ii8 h ASP 189 Cb 0.01 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.59 1ii8 h ASP 189 CO 0.00 0.00 -1.22 0.40 -1.72 0.00 0.00 179.24 176.70 1ii8 h ILE 190 N 0.00 1.34 0.00 0.35 2.04 -1.46 -2.91 117.51 116.87 1ii8 h ILE 190 Ca 0.06 -2.56 -0.02 0.00 1.00 0.00 0.00 64.86 63.34 1ii8 h ILE 190 Cb 0.87 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1ii8 h ILE 190 CO -0.00 0.76 -0.08 0.25 0.00 0.00 0.00 178.15 179.08 1ii8 h LEU 191 N 0.05 0.00 0.00 1.44 6.46 -0.73 -0.62 115.31 121.92 1ii8 h LEU 191 Ca -0.20 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1ii8 h LEU 191 Cb 1.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.87 1ii8 h LEU 191 CO 0.23 0.08 -0.00 0.00 -0.62 0.00 0.00 178.44 178.13 1ii8 h ALA 192 N 1.92 -0.39 -0.49 1.25 0.00 -1.18 -1.04 119.26 119.33 1ii8 h ALA 192 Ca -0.00 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1ii8 h ALA 192 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 1ii8 h ALA 192 CO 0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 179.25 178.51 1ii8 h ARG 193 N -0.00 -0.22 0.38 0.00 3.08 -1.51 -3.07 114.38 113.04 1ii8 h ARG 193 Ca -0.00 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ii8 h ARG 193 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ii8 h ARG 193 CO 0.00 -0.15 -0.22 1.15 -1.07 0.00 0.00 179.97 179.68 1ii8 h THR 194 N -0.23 0.00 -0.02 2.04 2.02 -1.24 -3.52 112.91 111.96 1ii8 h THR 194 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1ii8 h THR 194 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1ii8 h THR 194 CO -0.61 0.00 0.00 1.21 0.37 0.00 0.00 175.52 176.49