#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 n GLY 2 N 0.00 0.74 3.31 3.03 0.00 -1.26 -5.03 105.19 105.98 2fe0 n GLY 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n GLY 4 N 0.42 0.00 0.25 0.00 0.00 -1.26 -5.03 105.19 99.57 2fe0 n GLY 4 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 h ALA 5 N 0.00 1.72 -1.44 4.61 0.00 -2.04 -3.45 119.26 118.66 2fe0 h ALA 5 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2fe0 h ALA 5 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2fe0 h ALA 5 CO 0.00 0.21 -0.07 0.43 0.00 0.00 0.00 179.25 179.82 2fe0 n SER 6 N -4.38 -1.32 -4.11 0.00 7.64 -1.26 -1.80 113.62 108.39 2fe0 n SER 6 Ca -0.01 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 2fe0 n SER 6 Cb 0.19 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 61.91 2fe0 n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2fe0 n SER 7 N 0.74 -2.82 -2.31 6.43 2.88 -1.26 -3.86 113.62 113.42 2fe0 n SER 7 Ca -0.04 -1.27 -0.00 0.00 -1.33 0.00 0.00 58.87 56.23 2fe0 n SER 7 Cb 0.15 -1.82 -0.00 0.00 -0.75 0.00 0.00 64.21 61.79 2fe0 n SER 7 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2fe0 n GLU 8 N -4.87 -3.87 -0.12 -1.46 -0.58 -0.75 -4.76 120.64 104.23 2fe0 n GLU 8 Ca -0.17 2.82 0.13 0.00 -0.42 0.00 0.00 57.16 59.52 2fe0 n GLU 8 Cb 0.60 -3.68 0.49 0.00 -0.57 0.00 0.00 31.44 28.28 2fe0 n GLU 8 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2fe0 h ASN 9 N 4.25 0.41 -6.02 1.62 2.35 -1.82 -3.47 115.58 112.90 2fe0 h ASN 9 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2fe0 h ASN 9 Cb 0.08 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2fe0 h ASN 9 CO 0.00 0.23 -0.62 -1.20 -1.65 0.00 0.00 177.43 174.19 2fe0 n SER 10 N -4.48 -6.50 0.00 5.81 7.64 -1.26 -5.01 113.62 109.82 2fe0 n SER 10 Ca 0.12 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2fe0 n SER 10 Cb 0.42 -2.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.33 2fe0 n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fe0 n SER 11 N 1.84 3.34 -3.79 6.43 3.41 -1.26 -5.17 113.62 118.41 2fe0 n SER 11 Ca -0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 2fe0 n SER 11 Cb 0.25 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.06 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2fe0 s VAL 12 N 0.43 -0.03 -0.01 -3.33 1.01 -1.26 -4.94 120.40 112.28 2fe0 s VAL 12 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2fe0 s VAL 12 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 2fe0 s VAL 12 CO 0.00 0.05 -0.23 -0.89 0.00 0.00 0.00 175.10 174.03 2fe0 s THR 13 N 0.70 1.83 0.45 3.92 2.01 -1.26 -5.14 115.64 118.14 2fe0 s THR 13 Ca -0.06 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 60.96 2fe0 s THR 13 Cb -0.08 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2fe0 s THR 13 CO -0.03 0.48 0.01 -0.31 -0.69 0.00 0.00 174.62 174.08 2fe0 s TYR 14 N -0.58 2.21 0.17 4.92 2.02 -1.26 -4.89 117.35 119.95 2fe0 s TYR 14 Ca 0.09 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 2fe0 s TYR 14 Cb -0.09 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 2fe0 s TYR 14 CO -0.00 0.33 0.00 1.55 -1.57 0.00 0.00 175.55 175.85 2fe0 n VAL 15 N -1.08 0.00 0.19 0.71 3.14 -1.26 -4.88 118.33 115.15 2fe0 n VAL 15 Ca -0.11 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.34 2fe0 n VAL 15 Cb 0.67 -0.45 0.23 0.00 -1.06 0.00 0.00 33.84 33.23 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2fe0 h ASN 16 N 0.00 0.00 -0.37 6.55 2.35 -1.98 -3.49 115.58 118.64 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.31 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 2fe0 n GLY 17 N 0.77 0.56 3.92 2.83 0.00 -1.26 -5.04 105.19 106.96 2fe0 n GLY 17 Ca 0.02 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 2fe0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe0 s ARG 18 N -1.95 3.55 0.31 1.61 3.00 -1.26 -4.82 118.95 119.40 2fe0 s ARG 18 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 55.73 55.39 2fe0 s ARG 18 Cb 0.00 -2.57 -0.09 0.00 0.00 0.00 0.00 34.95 32.29 2fe0 s ARG 18 CO 0.00 0.06 1.10 -2.14 0.00 0.00 0.00 175.30 174.32 2fe0 s PRO 19 N -4.20 4.49 0.23 3.54 0.02 -1.26 -4.93 135.00 132.88 2fe0 s PRO 19 Ca 0.44 1.77 0.25 0.00 0.02 0.00 0.00 61.00 63.47 2fe0 s PRO 19 Cb -0.10 -3.02 0.90 0.00 0.02 0.00 0.00 34.50 32.30 2fe0 s PRO 19 CO 0.37 0.09 1.74 0.25 -0.33 0.00 0.00 177.00 179.12 2fe0 n THR 20 N 0.84 0.70 -4.37 0.99 -2.24 -1.26 -4.75 114.28 104.19 2fe0 n THR 20 Ca 0.01 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 2fe0 n THR 20 Cb 0.46 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.69 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2fe0 s PHE 21 N -3.20 2.17 0.32 4.78 5.36 -1.26 -5.09 117.98 121.07 2fe0 s PHE 21 Ca 0.08 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.70 2fe0 s PHE 21 Cb 0.11 -1.15 -0.03 0.00 -0.34 0.00 0.00 43.02 41.60 2fe0 s PHE 21 CO 0.49 0.34 0.19 0.54 -1.46 0.00 0.00 175.22 175.33 2fe0 s VAL 22 N -1.26 0.23 0.00 3.12 0.11 -1.26 -5.03 120.40 116.31 2fe0 s VAL 22 Ca 0.14 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.19 2fe0 s VAL 22 Cb -0.09 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 2fe0 s VAL 22 CO 0.06 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2fe0 n GLY 23 N -0.63 1.34 2.04 6.54 0.00 -1.26 -4.70 105.19 108.51 2fe0 n GLY 23 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2fe0 n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fe0 n GLU 24 N 0.00 0.00 -3.35 1.61 1.02 0.88 -4.87 120.64 115.93 2fe0 n GLU 24 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2fe0 s GLU 25 N -2.00 4.27 -0.02 3.49 2.56 -1.10 -4.98 118.70 120.93 2fe0 s GLU 25 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 54.97 55.32 2fe0 s GLU 25 Cb 0.00 -3.47 0.01 0.00 2.00 0.00 0.00 34.13 32.67 2fe0 s GLU 25 CO 0.00 0.09 -0.02 0.08 -0.56 0.00 0.00 175.26 174.85 2fe0 s VAL 26 N 0.88 0.25 0.09 3.70 1.01 -1.26 -2.38 120.40 122.69 2fe0 s VAL 26 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2fe0 s VAL 26 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2fe0 s VAL 26 CO 0.09 0.12 0.22 0.28 0.00 0.00 0.00 175.10 175.81 2fe0 s THR 27 N 0.53 0.13 -0.19 3.92 -1.32 -1.23 -4.96 115.64 112.51 2fe0 s THR 27 Ca -0.05 -1.08 -0.29 0.00 -1.21 0.00 0.00 61.69 59.06 2fe0 s THR 27 Cb -0.08 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 2fe0 s THR 27 CO -0.01 -0.60 1.01 -1.59 -2.21 0.00 0.00 174.62 171.22 2fe0 s LYS 28 N -3.75 4.30 0.00 7.08 -2.85 -1.26 -1.40 119.74 121.86 2fe0 s LYS 28 Ca 0.04 1.33 0.00 0.00 -1.00 0.00 0.00 55.97 56.34 2fe0 s LYS 28 Cb 0.04 -3.61 0.00 0.00 -2.06 0.00 0.00 37.83 32.20 2fe0 s LYS 28 CO -0.11 -0.52 0.99 0.41 0.10 0.00 0.00 175.35 176.23 2fe0 n GLY 29 N 3.29 -2.63 0.00 0.59 0.00 -0.53 -4.72 105.19 101.19 2fe0 n GLY 29 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2fe0 n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2fe0 n PHE 30 N -2.23 0.00 -2.68 1.61 3.72 -1.26 -5.05 117.46 111.57 2fe0 n PHE 30 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2fe0 n PHE 30 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 2fe0 n PHE 30 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2fe0 n GLU 31 N 0.00 0.56 -3.65 -1.08 2.13 -1.26 -5.05 120.64 112.28 2fe0 n GLU 31 Ca 0.00 -1.13 -0.15 0.00 0.66 0.00 0.00 57.16 56.53 2fe0 n GLU 31 Cb 0.00 -0.07 -0.07 0.00 0.27 0.00 0.00 31.44 31.57 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2fe0 s LYS 32 N 0.10 0.85 6.84 5.31 2.47 -1.26 -5.04 119.74 129.00 2fe0 s LYS 32 Ca 0.12 -0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.51 2fe0 s LYS 32 Cb 0.20 0.39 0.00 0.00 -1.46 0.00 0.00 37.83 36.96 2fe0 s LYS 32 CO -0.05 -0.25 0.00 -3.47 0.16 0.00 0.00 175.35 171.73 2fe0 n ASP 33 N 1.07 0.00 -0.83 1.43 2.03 -1.26 -1.41 116.55 117.58 2fe0 n ASP 33 Ca -0.20 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.16 2fe0 n ASP 33 Cb 0.57 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.15 2fe0 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2fe0 n ASN 34 N 3.01 2.39 0.00 1.67 0.23 -1.26 -4.85 115.26 116.45 2fe0 n ASN 34 Ca 0.00 -2.11 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 2fe0 n ASN 34 Cb 0.00 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2fe0 n GLY 35 N 0.93 2.36 5.03 4.83 0.00 -0.50 -4.75 105.19 113.09 2fe0 n GLY 35 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.58 0.99 4.77 -1.26 -4.24 117.00 112.69 2fe0 n LEU 36 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2fe0 n LEU 36 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2fe0 n LEU 36 CO 0.00 0.00 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.51 2fe0 s LEU 37 N 0.00 3.42 -0.09 2.23 2.96 -1.26 -3.64 118.68 122.30 2fe0 s LEU 37 Ca 0.00 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2fe0 s LEU 37 Cb 0.00 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2fe0 s LEU 37 CO 0.00 0.26 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.86 2fe0 s PHE 38 N -0.15 2.95 -0.58 5.38 0.40 -1.24 -1.45 117.98 123.29 2fe0 s PHE 38 Ca 0.04 -0.07 -0.21 0.00 -0.60 0.00 0.00 56.93 56.08 2fe0 s PHE 38 Cb -0.13 -1.76 0.07 0.00 0.51 0.00 0.00 43.02 41.71 2fe0 s PHE 38 CO 0.02 0.24 0.82 0.50 0.70 0.00 0.00 175.22 177.50 2fe0 s ARG 39 N -0.54 3.15 -0.18 0.44 3.52 -0.49 -3.65 118.95 121.20 2fe0 s ARG 39 Ca 0.08 -0.81 -0.20 0.00 -0.13 0.00 0.00 55.73 54.66 2fe0 s ARG 39 Cb -0.12 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.08 2fe0 s ARG 39 CO 0.02 -1.54 0.60 0.42 -0.81 0.00 0.00 175.30 173.99 2fe0 s ILE 40 N 3.40 5.06 -0.06 4.11 1.01 -0.19 -3.58 121.20 130.96 2fe0 s ILE 40 Ca 0.20 1.14 0.01 0.00 0.00 0.00 0.00 60.65 62.00 2fe0 s ILE 40 Cb -0.18 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.39 2fe0 s ILE 40 CO 0.12 0.16 -0.07 -0.69 0.00 0.00 0.00 174.94 174.47 2fe0 s VAL 41 N 1.60 0.74 -0.41 2.92 1.01 -1.00 -0.22 120.40 125.04 2fe0 s VAL 41 Ca 0.28 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2fe0 s VAL 41 Cb -0.16 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.57 2fe0 s VAL 41 CO 0.11 0.28 0.22 0.21 0.00 0.00 0.00 175.10 175.92 2fe0 s ASN 42 N 1.01 5.47 0.49 3.32 3.04 -1.15 -0.08 114.94 127.04 2fe0 s ASN 42 Ca -0.09 -1.64 0.17 0.00 0.04 0.00 0.00 52.86 51.34 2fe0 s ASN 42 Cb -0.14 -1.92 1.20 0.00 -1.54 0.00 0.00 41.25 38.84 2fe0 s ASN 42 CO -0.00 -0.52 2.05 0.11 -3.04 0.00 0.00 177.10 175.70 2fe0 h LYS 43 N 8.28 0.16 0.16 0.43 1.57 -1.91 3.67 116.57 128.94 2fe0 h LYS 43 Ca -0.20 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2fe0 h LYS 43 Cb 1.07 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 2fe0 h LYS 43 CO 0.73 0.11 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.21 2fe0 h LYS 44 N 0.17 -0.51 -0.01 3.15 3.64 -1.97 -3.04 116.57 118.00 2fe0 h LYS 44 Ca 0.16 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2fe0 h LYS 44 Cb 0.42 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2fe0 h LYS 44 CO -0.02 -0.34 -0.40 1.63 -2.27 0.00 0.00 179.45 178.05 2fe0 n LYS 45 N -5.40 1.47 -2.74 1.90 4.76 -0.92 -4.97 118.16 112.26 2fe0 n LYS 45 Ca -0.07 -0.92 -0.18 0.00 -2.87 0.00 0.00 58.31 54.27 2fe0 n LYS 45 Cb 0.31 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fe0 n LYS 46 N -0.05 -2.89 -3.80 1.97 4.76 1.21 -4.49 118.16 114.87 2fe0 n LYS 46 Ca 0.08 0.71 -0.36 0.00 -2.87 0.00 0.00 58.31 55.87 2fe0 n LYS 46 Cb 0.40 -5.39 -0.10 0.00 -1.84 0.00 0.00 35.03 28.10 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -5.37 3.96 0.28 1.97 -2.07 -1.14 -2.05 119.66 115.25 2fe0 s GLN 47 Ca 0.14 -0.33 -0.20 0.00 -1.82 0.00 0.00 55.36 53.15 2fe0 s GLN 47 Cb -0.07 -3.39 -0.09 0.00 -1.09 0.00 0.00 33.01 28.37 2fe0 s GLN 47 CO 0.18 0.08 0.79 -1.58 -1.32 0.00 0.00 175.29 173.44 2fe0 s TRP 48 N 0.94 3.56 -0.01 9.60 0.52 0.15 -2.91 118.94 130.79 2fe0 s TRP 48 Ca 0.06 1.44 -0.08 0.00 0.02 0.00 0.00 56.10 57.53 2fe0 s TRP 48 Cb -0.13 -2.68 0.01 0.00 -1.15 0.00 0.00 33.47 29.52 2fe0 s TRP 48 CO 0.03 0.21 0.17 0.00 0.02 0.00 0.00 176.95 177.38 2fe0 s ALA 49 N -1.71 -0.41 0.07 0.98 0.00 0.69 -0.48 121.76 120.89 2fe0 s ALA 49 Ca 0.49 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.55 2fe0 s ALA 49 Cb -0.15 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2fe0 s ALA 49 CO 0.20 -0.20 -0.23 0.71 0.00 0.00 0.00 175.76 176.23 2fe0 s TYR 50 N -1.18 2.04 -0.09 0.00 2.02 -1.18 -1.02 117.35 117.94 2fe0 s TYR 50 Ca -0.13 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 2fe0 s TYR 50 Cb -0.06 -1.18 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2fe0 s TYR 50 CO 0.02 0.16 -0.06 -0.47 -1.57 0.00 0.00 175.55 173.63 2fe0 s TYR 51 N -0.90 1.15 -0.01 2.71 5.04 -1.24 -3.31 117.35 120.78 2fe0 s TYR 51 Ca 0.10 -0.48 -0.17 0.00 -2.44 0.00 0.00 57.07 54.08 2fe0 s TYR 51 Cb -0.10 -1.02 -0.06 0.00 0.35 0.00 0.00 41.96 41.14 2fe0 s TYR 51 CO 0.03 -0.39 0.46 1.21 -1.34 0.00 0.00 175.55 175.52 2fe0 s ASN 52 N 1.55 6.84 -0.09 4.32 3.84 -1.23 -3.65 114.94 126.51 2fe0 s ASN 52 Ca 0.01 0.99 0.03 0.00 0.21 0.00 0.00 52.86 54.09 2fe0 s ASN 52 Cb -0.13 -2.28 -0.08 0.00 -0.55 0.00 0.00 41.25 38.21 2fe0 s ASN 52 CO -0.05 0.23 -0.05 -0.90 -2.79 0.00 0.00 177.10 173.54 2fe0 n ASP 53 N 2.28 3.17 -4.68 -4.21 5.75 -1.24 -2.75 116.55 114.87 2fe0 n ASP 53 Ca -0.11 -0.04 -0.45 0.00 -0.01 0.00 0.00 54.79 54.18 2fe0 n ASP 53 Cb 0.52 0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.68 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fe0 n THR 54 N -2.63 0.45 -0.23 2.12 -2.24 -1.26 -4.66 114.28 105.83 2fe0 n THR 54 Ca -0.16 -0.08 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 2fe0 n THR 54 Cb 0.71 -2.00 0.30 0.00 -2.10 0.00 0.00 70.33 67.25 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 4.79 1.40 0.00 4.28 -2.24 -1.26 -3.97 114.28 117.28 2fe0 n THR 55 Ca 0.20 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2fe0 n THR 55 Cb 0.34 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2fe0 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fe0 n GLN 56 N 1.05 3.79 -3.99 -0.78 0.00 -1.26 -5.04 117.38 111.15 2fe0 n GLN 56 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 57.10 2fe0 n GLN 56 Cb 0.72 -0.52 -0.13 0.00 0.00 0.00 0.00 30.24 30.32 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2fe0 s TYR 57 N -0.92 0.28 0.13 2.61 2.02 -1.25 -3.55 117.35 116.66 2fe0 s TYR 57 Ca 0.00 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.32 2fe0 s TYR 57 Cb 0.00 -0.18 -0.06 0.00 -0.40 0.00 0.00 41.96 41.32 2fe0 s TYR 57 CO 0.00 -0.08 0.46 -1.83 -1.57 0.00 0.00 175.55 172.53 2fe0 s GLU 58 N -0.78 3.81 -0.31 -0.62 -1.05 0.46 -4.59 118.70 115.62 2fe0 s GLU 58 Ca -0.07 0.24 -0.16 0.00 -0.15 0.00 0.00 54.97 54.83 2fe0 s GLU 58 Cb -0.05 -2.91 -0.02 0.00 -0.44 0.00 0.00 34.13 30.71 2fe0 s GLU 58 CO -0.00 0.49 0.43 -1.64 0.95 0.00 0.00 175.26 175.48 2fe0 s MET 59 N -2.16 3.82 -0.22 -4.83 -1.94 -0.93 -1.77 119.30 111.28 2fe0 s MET 59 Ca 0.37 -0.07 -0.07 0.00 -1.71 0.00 0.00 55.69 54.21 2fe0 s MET 59 Cb -0.14 -3.73 -0.03 0.00 2.01 0.00 0.00 34.83 32.95 2fe0 s MET 59 CO 0.20 -0.44 0.06 -1.01 -0.01 0.00 0.00 175.02 173.82 2fe0 s HIS 60 N 2.18 3.12 -0.14 -0.03 3.76 -1.09 -0.57 115.29 122.52 2fe0 s HIS 60 Ca 0.16 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.75 2fe0 s HIS 60 Cb -0.16 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2fe0 s HIS 60 CO 0.11 -0.19 0.02 0.08 -0.85 0.00 0.00 174.74 173.91 2fe0 s VAL 61 N 1.17 4.47 -0.34 -0.90 1.01 -0.88 -2.88 120.40 122.04 2fe0 s VAL 61 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2fe0 s VAL 61 Cb -0.14 -2.96 0.14 0.00 0.00 0.00 0.00 36.38 33.42 2fe0 s VAL 61 CO 0.03 0.52 0.26 -0.22 0.00 0.00 0.00 175.10 175.69 2fe0 s LEU 62 N -0.09 0.48 -0.12 3.92 2.96 -0.66 -2.49 118.68 122.68 2fe0 s LEU 62 Ca 0.05 -1.75 -0.01 0.00 -0.22 0.00 0.00 54.13 52.21 2fe0 s LEU 62 Cb -0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.53 2fe0 s LEU 62 CO 0.02 -0.32 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.93 2fe0 s VAL 63 N 1.44 3.29 -0.13 1.68 1.01 -1.20 -1.24 120.40 125.25 2fe0 s VAL 63 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2fe0 s VAL 63 Cb -0.19 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2fe0 s VAL 63 CO -0.09 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.57 2fe0 s THR 64 N 0.16 3.45 0.27 3.92 2.01 0.10 -2.29 115.64 123.26 2fe0 s THR 64 Ca -0.06 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.52 2fe0 s THR 64 Cb -0.15 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2fe0 s THR 64 CO 0.04 0.52 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.06 2fe0 s PHE 65 N 0.23 2.56 0.59 4.92 0.40 0.17 -0.35 117.98 126.50 2fe0 s PHE 65 Ca -0.06 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 2fe0 s PHE 65 Cb -0.15 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 2fe0 s PHE 65 CO 0.04 0.65 1.04 1.21 0.70 0.00 0.00 175.22 178.87 2fe0 s ASN 66 N -3.62 5.89 0.25 1.36 2.47 -1.24 0.02 114.94 120.08 2fe0 s ASN 66 Ca 0.31 1.73 -0.03 0.00 0.42 0.00 0.00 52.86 55.29 2fe0 s ASN 66 Cb -0.06 -2.52 0.52 0.00 -1.45 0.00 0.00 41.25 37.74 2fe0 s ASN 66 CO 0.18 -1.09 1.69 -0.08 -3.72 0.00 0.00 177.10 174.08 2fe0 h GLU 67 N 0.35 0.30 -4.83 0.43 4.81 -1.80 -3.06 114.58 110.78 2fe0 h GLU 67 Ca -0.46 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.06 2fe0 h GLU 67 Cb 1.21 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2fe0 h GLU 67 CO 0.58 0.20 2.68 -3.47 -0.73 0.00 0.00 179.01 178.27 2fe0 n ASP 68 N -5.12 4.27 -3.47 1.04 2.03 -1.26 -4.81 116.55 109.23 2fe0 n ASP 68 Ca 0.16 -2.87 -0.06 0.00 0.52 0.00 0.00 54.79 52.55 2fe0 n ASP 68 Cb 0.50 -1.68 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 s ASP 70 N 2.67 6.26 0.17 0.00 1.01 -1.20 -4.91 116.67 120.66 2fe0 s ASP 70 Ca 0.06 -2.18 0.09 0.00 0.71 0.00 0.00 52.55 51.24 2fe0 s ASP 70 Cb -0.14 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 2fe0 s ASP 70 CO -0.16 -1.79 -0.20 0.27 0.21 0.00 0.00 175.17 173.51 2fe0 s ILE 71 N 6.41 1.95 0.33 0.77 -4.36 -1.25 0.20 121.20 125.24 2fe0 s ILE 71 Ca 0.58 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.08 2fe0 s ILE 71 Cb 0.02 -1.90 -0.06 0.00 1.25 0.00 0.00 42.46 41.77 2fe0 s ILE 71 CO 0.09 -0.25 0.06 -0.54 0.24 0.00 0.00 174.94 174.54 2fe0 s LYS 72 N -2.72 1.66 -0.07 0.37 1.02 0.82 -4.92 119.74 115.90 2fe0 s LYS 72 Ca 0.17 -1.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.22 2fe0 s LYS 72 Cb -0.07 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.33 2fe0 s LYS 72 CO 0.07 -0.18 0.01 0.00 -0.92 0.00 0.00 175.35 174.34 2fe0 s ALA 73 N -3.28 3.34 0.46 5.17 0.00 -1.26 -1.57 121.76 124.60 2fe0 s ALA 73 Ca 0.37 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2fe0 s ALA 73 Cb 0.09 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2fe0 s ALA 73 CO 0.16 0.61 0.01 -0.51 0.00 0.00 0.00 175.76 176.02 2fe0 s LEU 74 N -1.07 2.57 0.00 0.00 1.43 0.12 -4.87 118.68 116.86 2fe0 s LEU 74 Ca 0.15 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2fe0 s LEU 74 Cb -0.11 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2fe0 s LEU 74 CO 0.05 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2fe0 n GLY 75 N -1.10 1.45 0.19 -3.19 0.00 -1.26 -0.50 105.19 100.78 2fe0 n GLY 75 Ca -0.12 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2fe0 n GLY 75 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2fe0 n LYS 76 N 13.14 0.90 -1.62 1.61 2.85 -1.26 -4.90 118.16 128.87 2fe0 n LYS 76 Ca 0.00 -0.38 -0.59 0.00 -1.05 0.00 0.00 58.31 56.29 2fe0 n LYS 76 Cb 0.00 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N -0.72 0.18 -2.93 0.58 -1.04 0.35 -4.88 114.28 105.83 2fe0 n THR 77 Ca 0.16 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 2fe0 n THR 77 Cb 0.29 -1.02 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 2fe0 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fe0 s LYS 78 N 4.15 4.31 -0.09 -2.82 2.20 -1.17 -4.46 119.74 121.85 2fe0 s LYS 78 Ca 1.04 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 57.66 2fe0 s LYS 78 Cb -1.20 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 31.56 2fe0 s LYS 78 CO 0.67 -0.27 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.99 2fe0 s LEU 79 N 1.97 2.19 0.03 5.43 2.96 -1.26 -3.19 118.68 126.81 2fe0 s LEU 79 Ca 0.37 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.62 2fe0 s LEU 79 Cb -0.17 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.12 2fe0 s LEU 79 CO 0.13 0.19 0.36 -1.83 -1.32 0.00 0.00 176.35 173.88 2fe0 s GLU 80 N 0.18 0.84 0.09 1.98 -1.05 -1.14 -5.01 118.70 114.60 2fe0 s GLU 80 Ca -0.13 -0.38 0.03 0.00 -0.15 0.00 0.00 54.97 54.33 2fe0 s GLU 80 Cb -0.16 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2fe0 s GLU 80 CO 0.07 -0.27 0.10 -1.14 0.95 0.00 0.00 175.26 174.97 2fe0 s GLN 81 N -2.32 2.94 0.41 -4.83 0.74 -1.26 -2.35 119.66 112.99 2fe0 s GLN 81 Ca -0.06 -0.69 0.08 0.00 0.05 0.00 0.00 55.36 54.74 2fe0 s GLN 81 Cb -0.01 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.35 2fe0 s GLN 81 CO -0.02 0.56 0.51 -0.65 -0.55 0.00 0.00 175.29 175.15 2fe0 s GLN 82 N -2.50 2.78 0.28 1.67 -1.52 -0.64 -4.94 119.66 114.78 2fe0 s GLN 82 Ca 0.30 -1.29 0.02 0.00 -1.95 0.00 0.00 55.36 52.43 2fe0 s GLN 82 Cb -0.12 -2.67 0.40 0.00 -0.22 0.00 0.00 33.01 30.40 2fe0 s GLN 82 CO 0.23 -0.22 1.72 1.05 -0.25 0.00 0.00 175.29 177.82 2fe0 h GLU 83 N 0.76 0.53 0.00 2.91 4.11 -2.00 -2.36 114.58 118.52 2fe0 h GLU 83 Ca -0.41 -0.19 -0.03 0.00 0.07 0.00 0.00 59.36 58.80 2fe0 h GLU 83 Cb 1.27 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2fe0 h GLU 83 CO 0.49 0.72 -0.15 -2.95 0.07 0.00 0.00 179.01 177.18 2fe0 h ASN 84 N 0.47 0.00 0.00 3.06 -1.07 -2.05 -3.46 115.58 112.52 2fe0 h ASN 84 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.44 2fe0 h ASN 84 Cb 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 2fe0 h ASN 84 CO 0.05 0.15 0.00 0.61 0.07 0.00 0.00 177.43 178.31 2fe0 n GLY 85 N -0.44 0.85 3.08 9.14 0.00 -0.89 -5.02 105.19 111.91 2fe0 n GLY 85 Ca -0.01 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 2fe0 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fe0 s GLU 86 N -1.87 0.40 -0.12 1.61 2.02 -1.26 -2.32 118.70 117.15 2fe0 s GLU 86 Ca 0.00 -0.25 -0.06 0.00 0.02 0.00 0.00 54.97 54.68 2fe0 s GLU 86 Cb 0.00 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.36 2fe0 s GLU 86 CO 0.00 -0.09 0.08 -1.58 0.02 0.00 0.00 175.26 173.69 2fe0 s TRP 87 N -1.02 3.38 -0.04 1.61 0.52 0.10 -1.62 118.94 121.88 2fe0 s TRP 87 Ca -0.11 0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.36 2fe0 s TRP 87 Cb -0.06 -1.93 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 2fe0 s TRP 87 CO 0.01 0.52 -0.10 0.08 0.02 0.00 0.00 176.95 177.48 2fe0 s VAL 88 N -0.65 0.94 -0.22 4.03 1.01 -0.99 0.46 120.40 124.98 2fe0 s VAL 88 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2fe0 s VAL 88 Cb -0.12 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.48 2fe0 s VAL 88 CO 0.02 0.30 0.04 0.00 0.00 0.00 0.00 175.10 175.47 2fe0 s ALA 89 N 0.41 1.17 0.02 5.51 0.00 -0.97 -2.86 121.76 125.03 2fe0 s ALA 89 Ca -0.08 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2fe0 s ALA 89 Cb -0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2fe0 s ALA 89 CO 0.02 -1.30 -0.16 -1.54 0.00 0.00 0.00 175.76 172.78 2fe0 s SER 90 N 1.78 3.91 -0.27 0.00 1.04 -1.19 -3.22 113.70 115.75 2fe0 s SER 90 Ca 0.01 -0.35 -0.25 0.00 0.48 0.00 0.00 55.95 55.84 2fe0 s SER 90 Cb -0.17 -0.70 0.08 0.00 0.10 0.00 0.00 66.02 65.33 2fe0 s SER 90 CO -0.13 0.28 0.79 0.54 0.98 0.00 0.00 173.24 175.70 2fe0 s VAL 91 N -0.89 0.00 -0.12 5.02 0.11 -1.04 -3.02 120.40 120.46 2fe0 s VAL 91 Ca 0.14 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2fe0 s VAL 91 Cb -0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.05 0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.35 2fe0 s VAL 92 N 0.40 5.35 -0.09 2.04 1.01 -1.26 -2.07 120.40 125.77 2fe0 s VAL 92 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2fe0 s VAL 92 Cb -0.05 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2fe0 s VAL 92 CO -0.01 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 2fe0 s VAL 93 N -0.42 3.19 0.16 2.92 1.01 0.27 -5.02 120.40 122.51 2fe0 s VAL 93 Ca 0.16 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2fe0 s VAL 93 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2fe0 s VAL 93 CO 0.05 0.56 0.34 -0.31 0.00 0.00 0.00 175.10 175.73 2fe0 s TYR 94 N -0.21 3.49 0.70 5.22 2.02 -1.26 -2.18 117.35 125.13 2fe0 s TYR 94 Ca 0.01 0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.85 2fe0 s TYR 94 Cb -0.13 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2fe0 s TYR 94 CO 0.03 0.45 1.09 -2.30 -1.57 0.00 0.00 175.55 173.24 2fe0 n PRO 95 N -0.41 0.68 -3.96 -1.71 -0.02 -1.26 -2.89 135.00 125.43 2fe0 n PRO 95 Ca -0.05 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 2fe0 n PRO 95 Cb 0.53 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fe0 s GLU 97 N -6.61 1.08 0.02 0.00 2.12 -1.14 -5.09 118.70 109.08 2fe0 s GLU 97 Ca 0.55 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.51 2fe0 s GLU 97 Cb -0.28 0.49 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 2fe0 s GLU 97 CO 0.86 -0.41 -0.07 0.99 -0.54 0.00 0.00 175.26 176.08 2fe0 s THR 98 N -2.98 0.55 0.09 -1.70 2.01 -1.26 -3.52 115.64 108.82 2fe0 s THR 98 Ca -0.02 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2fe0 s THR 98 Cb -0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2fe0 s THR 98 CO -0.06 -0.10 0.02 -1.83 -0.69 0.00 0.00 174.62 171.96 2fe0 s GLU 99 N -0.84 0.76 0.14 4.92 4.04 -1.21 -5.03 118.70 121.49 2fe0 s GLU 99 Ca -0.03 -1.30 -0.19 0.00 0.04 0.00 0.00 54.97 53.50 2fe0 s GLU 99 Cb -0.06 0.23 -0.07 0.00 0.02 0.00 0.00 34.13 34.25 2fe0 s GLU 99 CO 0.00 -0.19 0.63 -1.64 -1.84 0.00 0.00 175.26 172.22 2fe0 s MET 100 N -3.97 4.20 0.00 -4.83 -1.94 -1.26 -3.13 119.30 108.36 2fe0 s MET 100 Ca 0.14 0.75 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 2fe0 s MET 100 Cb 0.08 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.85 2fe0 s MET 100 CO -0.05 0.53 0.00 0.34 -0.01 0.00 0.00 175.02 175.83 2fe0 n PHE 101 N 1.21 0.00 -4.35 -0.03 7.35 0.37 -4.05 117.46 117.96 2fe0 n PHE 101 Ca -0.06 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.40 2fe0 n PHE 101 Cb 0.51 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.23 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 1.26 1.91 0.11 -2.13 -5.25 -1.25 0.11 121.20 115.96 2fe0 s ILE 102 Ca 0.00 -1.92 0.04 0.00 -0.99 0.00 0.00 60.65 57.78 2fe0 s ILE 102 Cb 0.00 -1.88 -0.04 0.00 2.95 0.00 0.00 42.46 43.49 2fe0 s ILE 102 CO 0.00 -0.27 -0.11 -0.70 -1.79 0.00 0.00 174.94 172.07 2fe0 s GLU 103 N -2.73 0.94 0.00 0.37 2.12 -0.61 0.33 118.70 119.11 2fe0 s GLU 103 Ca 0.16 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.24 2fe0 s GLU 103 Cb -0.06 -0.63 0.00 0.00 0.26 0.00 0.00 34.13 33.70 2fe0 s GLU 103 CO 0.07 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 2fe0 n GLY 104 N 0.36 0.55 3.84 -1.50 0.00 -0.87 0.29 105.19 107.85 2fe0 n GLY 104 Ca -0.14 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.21 2fe0 n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fe0 s ARG 105 N -0.02 3.90 -0.05 1.61 3.52 0.53 -4.86 118.95 123.58 2fe0 s ARG 105 Ca 0.00 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 56.05 2fe0 s ARG 105 Cb 0.00 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2fe0 s ARG 105 CO 0.00 0.69 -0.23 0.08 -0.81 0.00 0.00 175.30 175.03 2fe0 s VAL 106 N -1.06 1.87 -0.18 7.11 1.01 -1.26 -3.24 120.40 124.65 2fe0 s VAL 106 Ca 0.23 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2fe0 s VAL 106 Cb -0.16 -1.58 0.09 0.00 0.00 0.00 0.00 36.38 34.72 2fe0 s VAL 106 CO 0.13 0.52 0.31 0.54 0.00 0.00 0.00 175.10 176.60 2fe0 s ASN 107 N -0.14 0.40 -0.17 3.32 4.22 -1.26 -5.03 114.94 116.27 2fe0 s ASN 107 Ca -0.03 0.44 -0.11 0.00 -2.14 0.00 0.00 52.86 51.03 2fe0 s ASN 107 Cb -0.13 0.85 0.04 0.00 1.28 0.00 0.00 41.25 43.29 2fe0 s ASN 107 CO 0.03 -0.27 0.22 0.61 -2.04 0.00 0.00 177.10 175.65 2fe0 n GLY 108 N 5.36 -4.73 3.28 0.45 0.00 -1.26 -4.54 105.19 103.73 2fe0 n GLY 108 Ca -0.06 1.62 -0.12 0.00 0.00 0.00 0.00 46.02 47.45 2fe0 n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fe0 s PHE 109 N -0.64 -0.17 -0.15 1.61 -0.71 -1.26 -3.58 117.98 113.06 2fe0 s PHE 109 Ca -0.25 0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.68 2fe0 s PHE 109 Cb 0.02 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 2fe0 s PHE 109 CO 0.72 -0.52 0.03 0.15 -1.34 0.00 0.00 175.22 174.27 2fe0 s LYS 110 N -2.38 3.69 -0.09 1.99 1.02 0.52 -4.96 119.74 119.53 2fe0 s LYS 110 Ca -0.06 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.58 2fe0 s LYS 110 Cb -0.01 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 2fe0 s LYS 110 CO -0.02 0.38 -0.19 -1.12 -0.92 0.00 0.00 175.35 173.47 2fe0 s SER 111 N 0.05 3.51 -0.07 2.83 0.01 -1.26 0.01 113.70 118.78 2fe0 s SER 111 Ca 0.04 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 2fe0 s SER 111 Cb -0.13 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 64.90 2fe0 s SER 111 CO 0.01 0.21 0.02 -0.75 0.41 0.00 0.00 173.24 173.15 2fe0 s LYS 112 N 0.05 0.42 0.27 12.44 2.20 -0.37 -5.00 119.74 129.75 2fe0 s LYS 112 Ca -0.08 0.16 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 2fe0 s LYS 112 Cb -0.15 -0.91 -0.06 0.00 -1.51 0.00 0.00 37.83 35.20 2fe0 s LYS 112 CO 0.05 -0.33 -0.09 -1.64 -0.36 0.00 0.00 175.35 172.98 2fe0 s MET 113 N 2.02 1.56 0.28 4.03 -1.94 -1.26 -1.65 119.30 122.35 2fe0 s MET 113 Ca 0.05 -1.77 -0.18 0.00 -1.71 0.00 0.00 55.69 52.08 2fe0 s MET 113 Cb -0.12 -1.29 0.02 0.00 2.01 0.00 0.00 34.83 35.44 2fe0 s MET 113 CO -0.05 0.11 0.66 0.34 -0.01 0.00 0.00 175.02 176.07 2fe0 s ASP 114 N -3.45 -0.17 -0.48 3.03 -1.08 -1.14 -5.03 116.67 108.35 2fe0 s ASP 114 Ca 0.29 -0.76 0.03 0.00 -0.52 0.00 0.00 52.55 51.59 2fe0 s ASP 114 Cb 0.02 0.70 0.14 0.00 -1.46 0.00 0.00 42.92 42.32 2fe0 s ASP 114 CO 0.12 -1.33 0.27 0.00 0.52 0.00 0.00 175.17 174.75 2fe0 s ALA 115 N -3.78 2.52 0.59 3.66 0.00 -1.26 -2.67 121.76 120.82 2fe0 s ALA 115 Ca 0.15 -2.85 -0.06 0.00 0.00 0.00 0.00 51.96 49.19 2fe0 s ALA 115 Cb -0.04 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.12 2fe0 s ALA 115 CO 0.08 -2.05 0.91 -0.51 0.00 0.00 0.00 175.76 174.19 2fe0 s LEU 116 N 0.04 3.23 0.53 0.00 1.43 -0.73 -4.77 118.68 118.41 2fe0 s LEU 116 Ca 0.19 0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 53.88 2fe0 s LEU 116 Cb -0.21 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 2fe0 s LEU 116 CO -0.02 -1.05 1.03 -2.84 0.23 0.00 0.00 176.35 173.69 2fe0 s PRO 117 N -5.01 3.65 -0.44 1.29 0.02 -1.26 0.18 135.00 133.42 2fe0 s PRO 117 Ca 0.54 1.21 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 2fe0 s PRO 117 Cb -0.11 -2.08 0.03 0.00 0.02 0.00 0.00 34.50 32.36 2fe0 s PRO 117 CO 0.46 -0.54 1.15 -0.51 -0.33 0.00 0.00 177.00 177.22 2fe0 s LEU 118 N -3.99 3.69 0.00 -5.54 1.43 -1.23 -4.50 118.68 108.53 2fe0 s LEU 118 Ca 0.64 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 2fe0 s LEU 118 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2fe0 s LEU 118 CO 0.29 -1.20 0.00 -0.24 0.23 0.00 0.00 176.35 175.43 2fe0 n SER 119 N 7.73 0.00 0.18 2.29 2.88 -1.26 -4.87 113.62 120.56 2fe0 n SER 119 Ca 0.12 -0.52 0.03 0.00 -1.33 0.00 0.00 58.87 57.17 2fe0 n SER 119 Cb 0.49 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.32 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2fe0 h GLU 120 N 0.00 0.05 -0.92 -1.46 4.11 -2.01 -2.66 114.58 111.70 2fe0 h GLU 120 Ca 0.00 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.53 2fe0 h GLU 120 Cb 0.00 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2fe0 h GLU 120 CO 0.00 0.36 0.59 1.05 0.07 0.00 0.00 179.01 181.07 2fe0 h GLU 121 N 0.05 0.82 -0.42 1.06 4.11 -2.00 -0.82 114.58 117.37 2fe0 h GLU 121 Ca 0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 2fe0 h GLU 121 Cb 0.57 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2fe0 h GLU 121 CO 0.04 0.54 0.06 -0.92 0.07 0.00 0.00 179.01 178.80 2fe0 h TYR 122 N 0.84 0.75 -0.97 2.06 3.20 -1.81 -1.72 116.97 119.33 2fe0 h TYR 122 Ca 0.45 -0.11 0.09 0.00 3.14 0.00 0.00 58.73 62.30 2fe0 h TYR 122 Cb 0.54 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 2fe0 h TYR 122 CO -0.00 0.73 0.61 0.00 -1.64 0.00 0.00 178.16 177.86 2fe0 h ARG 123 N 0.55 1.02 -0.38 1.82 3.08 -1.21 -0.91 114.38 118.36 2fe0 h ARG 123 Ca 0.13 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 2fe0 h ARG 123 Cb 0.39 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2fe0 h ARG 123 CO 0.01 0.67 -0.30 1.96 -1.07 0.00 0.00 179.97 181.24 2fe0 h GLN 124 N 1.05 0.83 -0.49 0.04 1.08 -1.15 -2.83 115.11 113.64 2fe0 h GLN 124 Ca 0.45 -0.38 0.09 0.00 -1.45 0.00 0.00 58.65 57.35 2fe0 h GLN 124 Cb 0.30 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 2fe0 h GLN 124 CO -0.21 1.02 0.33 1.25 -0.95 0.00 0.00 178.83 180.26 2fe0 h HIS 125 N 0.70 0.30 0.00 2.96 -0.00 -0.25 0.19 115.15 119.06 2fe0 h HIS 125 Ca 0.08 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2fe0 h HIS 125 Cb 0.85 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 2fe0 h HIS 125 CO 0.05 0.15 0.00 1.96 -0.00 0.00 0.00 177.93 180.09 2fe0 h GLN 126 N 0.29 0.00 0.00 5.26 4.20 -1.15 -1.57 115.11 122.14 2fe0 h GLN 126 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2fe0 h GLN 126 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2fe0 h GLN 126 CO -0.05 0.00 -0.26 0.00 -0.67 0.00 0.00 178.83 177.85 2fe0 h ALA 127 N 2.00 0.00 -0.99 3.87 0.00 -0.74 -3.11 119.26 120.28 2fe0 h ALA 127 Ca 0.00 -0.31 0.22 0.00 0.00 0.00 0.00 54.91 54.82 2fe0 h ALA 127 Cb 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2fe0 h ALA 127 CO 0.00 0.26 0.62 1.05 0.00 0.00 0.00 179.25 181.18 2fe0 h GLU 128 N -0.73 0.57 0.00 0.00 4.11 -1.44 1.44 114.58 118.53 2fe0 h GLU 128 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2fe0 h GLU 128 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2fe0 h GLU 128 CO 0.00 0.38 0.00 0.36 0.07 0.00 0.00 179.01 179.82 2fe0 n LYS 129 N -4.69 0.17 -4.03 1.06 -0.00 -0.60 -4.61 118.16 105.46 2fe0 n LYS 129 Ca 0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.24 2fe0 n LYS 129 Cb 0.69 -1.50 -0.16 0.00 -0.00 0.00 0.00 35.03 34.06 2fe0 n LYS 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2fe0 s ASP 130 N -2.82 3.61 0.00 -5.58 2.15 0.49 -5.06 116.67 109.46 2fe0 s ASP 130 Ca 0.20 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.20 2fe0 s ASP 130 Cb 0.19 -1.34 0.00 0.00 -0.30 0.00 0.00 42.92 41.48 2fe0 s ASP 130 CO 0.50 -0.14 0.00 1.17 -0.17 0.00 0.00 175.17 176.53