#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 -0.88 3.28 3.03 0.00 -1.26 -5.12 105.19 104.25 2fe0 n GLY 2 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.15 1.00 3.78 0.00 0.00 -1.26 -4.93 105.19 103.63 2fe0 n GLY 4 Ca -0.12 0.83 -0.35 0.00 0.00 0.00 0.00 46.02 46.38 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 s ALA 5 N 7.38 2.76 -1.90 4.61 0.00 -1.26 -4.91 121.76 128.44 2fe0 s ALA 5 Ca 1.01 0.81 0.30 0.00 0.00 0.00 0.00 51.96 54.09 2fe0 s ALA 5 Cb -0.51 -3.35 1.76 0.00 0.00 0.00 0.00 23.12 21.02 2fe0 s ALA 5 CO 0.41 -0.69 2.12 -1.13 0.00 0.00 0.00 175.76 176.47 2fe0 n SER 6 N -1.13 0.00 0.19 0.00 3.41 -1.26 -3.44 113.62 111.39 2fe0 n SER 6 Ca 0.11 -0.81 0.13 0.00 -0.26 0.00 0.00 58.87 58.04 2fe0 n SER 6 Cb 0.51 -0.05 0.68 0.00 -0.26 0.00 0.00 64.21 65.09 2fe0 n SER 6 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fe0 h SER 7 N 0.00 0.00 -0.38 4.04 4.64 -2.01 -1.92 113.55 117.93 2fe0 h SER 7 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2fe0 h SER 7 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2fe0 h SER 7 CO 0.00 0.00 0.26 -0.33 -0.87 0.00 0.00 176.83 175.89 2fe0 h GLU 8 N 0.00 0.24 -4.49 4.77 5.08 -1.97 -3.43 114.58 114.79 2fe0 h GLU 8 Ca 0.00 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 2fe0 h GLU 8 Cb 0.06 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 2fe0 h GLU 8 CO 0.00 0.16 -0.70 0.54 -1.00 0.00 0.00 179.01 178.01 2fe0 s ASN 9 N -6.57 0.85 0.00 1.42 4.22 -0.72 -5.01 114.94 109.13 2fe0 s ASN 9 Ca -0.07 -0.82 0.00 0.00 -2.14 0.00 0.00 52.86 49.83 2fe0 s ASN 9 Cb 0.18 0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.81 2fe0 s ASN 9 CO 0.72 -0.40 0.00 -1.54 -2.04 0.00 0.00 177.10 173.84 2fe0 n SER 10 N 0.58 0.00 -3.83 3.54 3.41 -1.26 -4.94 113.62 111.12 2fe0 n SER 10 Ca -0.17 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2fe0 n SER 10 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2fe0 n SER 10 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2fe0 n SER 11 N 0.00 -0.27 -3.84 4.04 2.88 -1.26 -5.05 113.62 110.13 2fe0 n SER 11 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2fe0 n SER 11 Cb 0.17 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2fe0 s VAL 12 N -0.13 0.02 -0.06 2.46 1.01 -1.26 -5.07 120.40 117.36 2fe0 s VAL 12 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2fe0 s VAL 12 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.31 2fe0 s VAL 12 CO 0.00 0.05 -0.15 -0.89 0.00 0.00 0.00 175.10 174.11 2fe0 s THR 13 N 0.47 1.34 0.39 3.92 2.01 -1.26 -5.14 115.64 117.36 2fe0 s THR 13 Ca -0.04 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.42 2fe0 s THR 13 Cb -0.06 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2fe0 s THR 13 CO -0.01 0.40 0.37 -0.31 -0.69 0.00 0.00 174.62 174.38 2fe0 s TYR 14 N 0.44 2.80 0.29 4.92 2.02 -1.26 -5.03 117.35 121.53 2fe0 s TYR 14 Ca -0.12 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2fe0 s TYR 14 Cb -0.15 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 2fe0 s TYR 14 CO 0.04 -0.05 0.00 1.55 -1.57 0.00 0.00 175.55 175.52 2fe0 n VAL 15 N -1.52 0.03 0.24 0.71 3.14 -1.26 -4.86 118.33 114.80 2fe0 n VAL 15 Ca 0.02 0.01 0.08 0.00 -2.96 0.00 0.00 64.34 61.49 2fe0 n VAL 15 Cb 0.61 -0.52 0.58 0.00 -1.06 0.00 0.00 33.84 33.45 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 0.00 6.55 2.35 -1.97 -3.46 115.58 119.04 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 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.55 2fe0 n GLY 17 N -0.96 2.01 3.88 2.83 0.00 -1.26 -4.97 105.19 106.72 2fe0 n GLY 17 Ca -0.02 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 3.75 0.26 1.61 1.81 -1.26 -4.84 118.95 118.28 2fe0 s ARG 18 Ca 0.00 0.15 -0.29 0.00 -1.72 0.00 0.00 55.73 53.87 2fe0 s ARG 18 Cb 0.00 -2.77 -0.09 0.00 -0.45 0.00 0.00 34.95 31.64 2fe0 s ARG 18 CO 0.00 0.40 1.13 -1.25 -0.68 0.00 0.00 175.30 174.90 2fe0 s PRO 19 N -2.61 4.60 0.00 3.54 0.04 -1.26 -4.93 135.00 134.38 2fe0 s PRO 19 Ca 0.43 1.84 0.09 0.00 0.04 0.00 0.00 61.00 63.39 2fe0 s PRO 19 Cb -0.12 -3.19 0.30 0.00 0.04 0.00 0.00 34.50 31.53 2fe0 s PRO 19 CO 0.22 0.13 1.23 -2.37 0.04 0.00 0.00 177.00 176.25 2fe0 n THR 20 N 1.42 0.25 -3.98 1.26 5.66 -1.26 -4.74 114.28 112.89 2fe0 n THR 20 Ca -0.00 -0.26 -0.19 0.00 -3.05 0.00 0.00 64.05 60.55 2fe0 n THR 20 Cb 0.45 0.13 -0.16 0.00 -1.55 0.00 0.00 70.33 69.19 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2fe0 s PHE 21 N -1.75 0.51 -0.08 1.09 5.36 -1.26 -5.14 117.98 116.71 2fe0 s PHE 21 Ca 0.16 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 2fe0 s PHE 21 Cb 0.08 -0.56 0.01 0.00 -0.34 0.00 0.00 43.02 42.22 2fe0 s PHE 21 CO 0.12 -0.18 -0.13 0.08 -1.46 0.00 0.00 175.22 173.65 2fe0 s VAL 22 N 1.16 1.20 0.00 3.12 1.01 -1.26 -5.02 120.40 120.61 2fe0 s VAL 22 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2fe0 s VAL 22 Cb -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2fe0 s VAL 22 CO -0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2fe0 n GLY 23 N 3.95 1.02 1.83 4.51 0.00 -1.26 -4.91 105.19 110.34 2fe0 n GLY 23 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.08 1.61 -0.58 0.19 -4.86 120.64 113.92 2fe0 n GLU 24 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2fe0 n GLU 24 Cb 0.00 -0.09 -0.06 0.00 -0.57 0.00 0.00 31.44 30.72 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2fe0 s GLU 25 N -2.00 3.88 -0.09 3.49 2.12 -1.08 -4.95 118.70 120.07 2fe0 s GLU 25 Ca 0.00 0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.68 2fe0 s GLU 25 Cb 0.00 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 2fe0 s GLU 25 CO 0.00 -0.62 -0.23 0.08 -0.54 0.00 0.00 175.26 173.95 2fe0 s VAL 26 N 2.69 2.17 0.22 3.70 1.01 -1.26 -2.12 120.40 126.81 2fe0 s VAL 26 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2fe0 s VAL 26 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2fe0 s VAL 26 CO 0.12 0.56 0.15 0.42 0.00 0.00 0.00 175.10 176.35 2fe0 s THR 27 N 0.16 0.00 -0.45 3.92 -4.23 -0.77 -4.96 115.64 109.32 2fe0 s THR 27 Ca -0.13 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 2fe0 s THR 27 Cb -0.16 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.30 2fe0 s THR 27 CO 0.07 0.00 0.23 -0.54 -0.54 0.00 0.00 174.62 173.84 2fe0 s LYS 28 N -4.07 2.02 0.00 3.99 1.02 -1.26 0.68 119.74 122.12 2fe0 s LYS 28 Ca 0.39 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.33 2fe0 s LYS 28 Cb 0.06 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 2fe0 s LYS 28 CO 0.14 -1.07 0.43 0.41 -0.92 0.00 0.00 175.35 174.33 2fe0 n GLY 29 N 4.16 -2.41 3.76 -3.33 0.00 -0.99 -4.23 105.19 102.15 2fe0 n GLY 29 Ca 0.02 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 2fe0 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fe0 s PHE 30 N -1.51 3.06 -0.36 1.61 0.08 -1.26 -4.91 117.98 114.69 2fe0 s PHE 30 Ca 0.00 1.24 0.02 0.00 0.12 0.00 0.00 56.93 58.31 2fe0 s PHE 30 Cb 0.00 -3.73 0.48 0.00 -0.57 0.00 0.00 43.02 39.20 2fe0 s PHE 30 CO 0.00 -2.18 1.74 -0.85 -0.10 0.00 0.00 175.22 173.83 2fe0 n GLU 31 N 1.62 1.98 -4.23 0.44 0.00 -1.26 -4.49 120.64 114.70 2fe0 n GLU 31 Ca 0.03 -2.28 -0.14 0.00 0.00 0.00 0.00 57.16 54.77 2fe0 n GLU 31 Cb 0.41 -1.89 -0.10 0.00 0.00 0.00 0.00 31.44 29.86 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2fe0 s LYS 32 N -2.53 1.00 3.80 3.44 2.20 -1.26 -5.01 119.74 121.39 2fe0 s LYS 32 Ca 0.44 -1.39 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 2fe0 s LYS 32 Cb 0.36 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 2fe0 s LYS 32 CO 0.07 0.07 0.00 -0.25 -0.36 0.00 0.00 175.35 174.88 2fe0 n ASP 33 N -0.04 0.00 -0.82 1.43 8.00 -1.26 -1.89 116.55 121.97 2fe0 n ASP 33 Ca -0.11 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.40 2fe0 n ASP 33 Cb 0.60 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.78 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2fe0 n ASN 34 N -2.77 2.06 0.00 -2.24 3.02 -1.26 -4.79 115.26 109.28 2fe0 n ASN 34 Ca 0.00 -2.20 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 2fe0 n ASN 34 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 35 N 0.13 3.19 5.00 7.41 0.00 -0.79 -4.86 105.19 115.28 2fe0 n GLY 35 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.63 0.99 4.77 -1.26 -4.00 117.00 112.86 2fe0 n LEU 36 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2fe0 n LEU 36 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2fe0 n LEU 36 CO 0.00 0.00 -0.29 -0.22 -1.33 0.00 0.00 177.39 175.55 2fe0 s LEU 37 N 0.00 3.63 -0.17 2.23 2.96 -1.26 -3.42 118.68 122.65 2fe0 s LEU 37 Ca 0.00 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2fe0 s LEU 37 Cb 0.00 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2fe0 s LEU 37 CO 0.00 0.26 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.90 2fe0 s PHE 38 N -0.15 3.03 -0.45 5.38 0.40 -1.22 -2.33 117.98 122.64 2fe0 s PHE 38 Ca 0.05 -0.34 -0.25 0.00 -0.60 0.00 0.00 56.93 55.79 2fe0 s PHE 38 Cb -0.12 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.43 2fe0 s PHE 38 CO 0.02 -0.10 0.89 0.50 0.70 0.00 0.00 175.22 177.23 2fe0 s ARG 39 N 0.56 3.55 -0.17 0.44 3.52 0.21 -3.56 118.95 123.50 2fe0 s ARG 39 Ca -0.02 0.15 -0.07 0.00 -0.13 0.00 0.00 55.73 55.66 2fe0 s ARG 39 Cb -0.14 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 2fe0 s ARG 39 CO 0.02 -1.16 0.06 0.42 -0.81 0.00 0.00 175.30 173.83 2fe0 s ILE 40 N 3.61 4.79 -0.07 4.11 1.01 -0.48 -1.85 121.20 132.33 2fe0 s ILE 40 Ca 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.98 2fe0 s ILE 40 Cb -0.11 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2fe0 s ILE 40 CO 0.25 0.48 -0.06 -0.69 0.00 0.00 0.00 174.94 174.91 2fe0 s VAL 41 N 0.24 0.72 -0.46 2.92 1.01 -0.90 -0.55 120.40 123.38 2fe0 s VAL 41 Ca 0.04 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 2fe0 s VAL 41 Cb -0.12 -0.74 0.08 0.00 0.00 0.00 0.00 36.38 35.60 2fe0 s VAL 41 CO 0.00 0.28 0.35 0.21 0.00 0.00 0.00 175.10 175.95 2fe0 s ASN 42 N 1.18 5.94 0.45 3.32 3.84 -1.05 0.53 114.94 129.16 2fe0 s ASN 42 Ca -0.06 -1.47 0.11 0.00 0.21 0.00 0.00 52.86 51.65 2fe0 s ASN 42 Cb -0.14 -2.10 1.03 0.00 -0.55 0.00 0.00 41.25 39.48 2fe0 s ASN 42 CO -0.02 -0.63 2.09 0.11 -2.79 0.00 0.00 177.10 175.87 2fe0 h LYS 43 N 8.62 0.32 0.20 0.43 1.57 -1.90 4.34 116.57 130.15 2fe0 h LYS 43 Ca -0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2fe0 h LYS 43 Cb 1.10 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2fe0 h LYS 43 CO 0.85 0.21 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.60 2fe0 h LYS 44 N 0.32 -0.30 -0.01 3.15 3.64 -1.96 -3.09 116.57 118.32 2fe0 h LYS 44 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2fe0 h LYS 44 Cb -0.03 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2fe0 h LYS 44 CO -0.02 -0.20 -0.58 1.17 -2.27 0.00 0.00 179.45 177.54 2fe0 n LYS 45 N -5.24 1.03 -1.71 1.90 3.00 -1.00 -4.95 118.16 111.19 2fe0 n LYS 45 Ca -0.09 -0.73 -0.17 0.00 -0.00 0.00 0.00 58.31 57.33 2fe0 n LYS 45 Cb 0.16 -1.45 -0.06 0.00 0.00 0.00 0.00 35.03 33.68 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fe0 n LYS 46 N -0.39 -1.51 -3.57 1.64 4.76 1.42 -4.50 118.16 116.02 2fe0 n LYS 46 Ca 0.08 0.93 -0.37 0.00 -2.87 0.00 0.00 58.31 56.08 2fe0 n LYS 46 Cb 0.42 -5.32 -0.08 0.00 -1.84 0.00 0.00 35.03 28.21 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 -3.80 4.19 0.44 1.97 -2.07 -1.10 -1.96 119.66 117.33 2fe0 s GLN 47 Ca 0.00 -0.02 -0.14 0.00 -1.82 0.00 0.00 55.36 53.38 2fe0 s GLN 47 Cb 0.00 -3.47 -0.08 0.00 -1.09 0.00 0.00 33.01 28.37 2fe0 s GLN 47 CO 0.00 0.15 0.85 -1.58 -1.32 0.00 0.00 175.29 173.39 2fe0 s TRP 48 N 0.76 3.44 -0.06 9.60 0.52 0.16 -2.52 118.94 130.84 2fe0 s TRP 48 Ca 0.14 1.25 -0.13 0.00 0.02 0.00 0.00 56.10 57.38 2fe0 s TRP 48 Cb -0.13 -2.60 0.03 0.00 -1.15 0.00 0.00 33.47 29.61 2fe0 s TRP 48 CO 0.04 -0.18 0.30 0.00 0.02 0.00 0.00 176.95 177.13 2fe0 s ALA 49 N -2.41 -0.76 -0.03 0.98 0.00 0.29 -2.34 121.76 117.49 2fe0 s ALA 49 Ca 0.55 0.58 0.05 0.00 0.00 0.00 0.00 51.96 53.14 2fe0 s ALA 49 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2fe0 s ALA 49 CO 0.29 -0.21 -0.20 0.71 0.00 0.00 0.00 175.76 176.35 2fe0 s TYR 50 N -0.61 1.87 -0.15 0.00 2.02 -1.23 -1.38 117.35 117.87 2fe0 s TYR 50 Ca -0.07 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 2fe0 s TYR 50 Cb -0.04 -1.23 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 2fe0 s TYR 50 CO 0.02 -0.12 -0.19 -0.47 -1.57 0.00 0.00 175.55 173.22 2fe0 s TYR 51 N -0.19 2.53 -0.12 2.71 5.04 -1.23 -3.72 117.35 122.36 2fe0 s TYR 51 Ca 0.01 -1.37 -0.16 0.00 -2.44 0.00 0.00 57.07 53.11 2fe0 s TYR 51 Cb -0.10 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 2fe0 s TYR 51 CO 0.01 -0.66 0.41 1.21 -1.34 0.00 0.00 175.55 175.18 2fe0 s ASN 52 N 1.09 6.61 -0.15 4.32 3.84 -1.26 -3.44 114.94 125.95 2fe0 s ASN 52 Ca -0.01 0.73 0.06 0.00 0.21 0.00 0.00 52.86 53.85 2fe0 s ASN 52 Cb -0.14 -2.25 -0.14 0.00 -0.55 0.00 0.00 41.25 38.17 2fe0 s ASN 52 CO -0.07 0.06 -0.06 -0.90 -2.79 0.00 0.00 177.10 173.34 2fe0 n ASP 53 N 3.48 2.22 -4.67 -4.21 5.75 -1.22 -3.29 116.55 114.61 2fe0 n ASP 53 Ca -0.09 -0.05 -0.44 0.00 -0.01 0.00 0.00 54.79 54.20 2fe0 n ASP 53 Cb 0.52 0.24 -0.04 0.00 -1.03 0.00 0.00 41.12 40.81 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 -2.77 0.69 -0.06 2.12 -2.24 -1.26 -4.65 114.28 106.10 2fe0 n THR 54 Ca -0.26 -0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 2fe0 n THR 54 Cb 0.87 -2.16 0.28 0.00 -2.10 0.00 0.00 70.33 67.23 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 5.37 1.24 0.00 4.28 -2.24 -1.26 -3.93 114.28 117.74 2fe0 n THR 55 Ca 0.21 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2fe0 n THR 55 Cb 0.37 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.96 3.09 -4.10 -0.78 0.00 -1.26 -5.05 117.38 110.25 2fe0 n GLN 56 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.06 2fe0 n GLN 56 Cb 0.66 -0.64 -0.13 0.00 0.00 0.00 0.00 30.24 30.13 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 -1.11 0.56 0.10 2.61 2.02 -1.25 -3.39 117.35 116.88 2fe0 s TYR 57 Ca 0.00 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.28 2fe0 s TYR 57 Cb 0.00 -0.35 -0.06 0.00 -0.40 0.00 0.00 41.96 41.15 2fe0 s TYR 57 CO 0.00 -0.05 0.44 -1.83 -1.57 0.00 0.00 175.55 172.54 2fe0 s GLU 58 N -0.91 3.81 -0.24 -0.62 -1.05 0.26 -4.60 118.70 115.36 2fe0 s GLU 58 Ca -0.05 0.25 -0.17 0.00 -0.15 0.00 0.00 54.97 54.85 2fe0 s GLU 58 Cb -0.06 -2.98 -0.03 0.00 -0.44 0.00 0.00 34.13 30.62 2fe0 s GLU 58 CO 0.00 0.54 0.47 -1.64 0.95 0.00 0.00 175.26 175.58 2fe0 s MET 59 N -1.93 4.11 -0.23 -4.83 -1.94 -1.00 -2.26 119.30 111.21 2fe0 s MET 59 Ca 0.34 0.28 -0.06 0.00 -1.71 0.00 0.00 55.69 54.55 2fe0 s MET 59 Cb -0.14 -3.61 -0.02 0.00 2.01 0.00 0.00 34.83 33.07 2fe0 s MET 59 CO 0.18 -0.24 0.02 -1.01 -0.01 0.00 0.00 175.02 173.97 2fe0 s HIS 60 N 1.94 3.04 -0.18 -0.03 3.76 -1.18 -1.11 115.29 121.53 2fe0 s HIS 60 Ca 0.21 -0.55 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 2fe0 s HIS 60 Cb -0.15 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2fe0 s HIS 60 CO 0.09 -0.37 0.10 0.08 -0.85 0.00 0.00 174.74 173.79 2fe0 s VAL 61 N 1.40 5.12 -0.34 -0.90 1.01 -0.79 -3.19 120.40 122.72 2fe0 s VAL 61 Ca 0.05 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2fe0 s VAL 61 Cb -0.15 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.06 2fe0 s VAL 61 CO 0.01 0.47 0.24 -0.22 0.00 0.00 0.00 175.10 175.60 2fe0 s LEU 62 N 0.20 0.61 -0.11 3.92 2.96 -0.43 -2.42 118.68 123.40 2fe0 s LEU 62 Ca 0.07 -1.82 0.01 0.00 -0.22 0.00 0.00 54.13 52.16 2fe0 s LEU 62 Cb -0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 2fe0 s LEU 62 CO -0.00 -0.33 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.86 2fe0 s VAL 63 N 1.40 2.91 -0.11 1.68 1.01 -1.19 -0.76 120.40 125.34 2fe0 s VAL 63 Ca 0.16 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2fe0 s VAL 63 Cb -0.20 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2fe0 s VAL 63 CO -0.08 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.61 2fe0 s THR 64 N 0.16 3.74 0.25 3.92 2.01 0.72 -2.46 115.64 123.99 2fe0 s THR 64 Ca -0.08 -0.44 0.11 0.00 0.31 0.00 0.00 61.69 61.59 2fe0 s THR 64 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2fe0 s THR 64 CO 0.05 0.55 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.01 2fe0 s PHE 65 N -0.26 2.40 0.61 4.92 0.40 0.21 -0.81 117.98 125.45 2fe0 s PHE 65 Ca 0.04 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 2fe0 s PHE 65 Cb -0.13 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 2fe0 s PHE 65 CO 0.02 0.63 1.04 1.21 0.70 0.00 0.00 175.22 178.82 2fe0 s ASN 66 N -3.27 5.93 0.26 1.36 2.47 -1.25 0.23 114.94 120.67 2fe0 s ASN 66 Ca 0.28 1.63 -0.04 0.00 0.42 0.00 0.00 52.86 55.15 2fe0 s ASN 66 Cb -0.06 -2.50 0.53 0.00 -1.45 0.00 0.00 41.25 37.76 2fe0 s ASN 66 CO 0.15 -1.07 1.66 -0.08 -3.72 0.00 0.00 177.10 174.03 2fe0 h GLU 67 N 0.06 0.19 -5.26 0.43 4.81 -1.71 -3.04 114.58 110.06 2fe0 h GLU 67 Ca -0.45 -0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 58.07 2fe0 h GLU 67 Cb 1.20 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 2fe0 h GLU 67 CO 0.59 0.13 2.39 -3.47 -0.73 0.00 0.00 179.01 177.92 2fe0 n ASP 68 N -5.23 4.69 -3.36 1.04 2.03 -1.26 -4.82 116.55 109.63 2fe0 n ASP 68 Ca 0.16 -2.91 -0.04 0.00 0.52 0.00 0.00 54.79 52.52 2fe0 n ASP 68 Cb 0.53 -1.71 -0.06 0.00 -0.72 0.00 0.00 41.12 39.16 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 2.68 6.17 0.23 0.00 2.15 -1.17 -4.91 116.67 121.81 2fe0 s ASP 70 Ca 0.11 -2.10 0.09 0.00 0.43 0.00 0.00 52.55 51.09 2fe0 s ASP 70 Cb -0.14 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2fe0 s ASP 70 CO -0.17 -1.88 -0.17 0.27 -0.17 0.00 0.00 175.17 173.05 2fe0 s ILE 71 N 6.73 2.03 0.30 4.11 -4.36 -1.25 0.21 121.20 128.97 2fe0 s ILE 71 Ca 0.59 -2.25 0.03 0.00 -0.26 0.00 0.00 60.65 58.75 2fe0 s ILE 71 Cb 0.02 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 2fe0 s ILE 71 CO 0.09 -0.48 0.09 -0.54 0.24 0.00 0.00 174.94 174.34 2fe0 s LYS 72 N -3.48 1.56 -0.10 0.37 1.02 0.82 -4.91 119.74 115.01 2fe0 s LYS 72 Ca 0.24 -1.87 -0.01 0.00 0.02 0.00 0.00 55.97 54.35 2fe0 s LYS 72 Cb -0.03 -0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 2fe0 s LYS 72 CO 0.10 -0.29 -0.05 0.00 -0.92 0.00 0.00 175.35 174.19 2fe0 s ALA 73 N -3.54 3.04 0.46 5.17 0.00 -1.26 -1.73 121.76 123.90 2fe0 s ALA 73 Ca 0.36 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2fe0 s ALA 73 Cb 0.07 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2fe0 s ALA 73 CO 0.15 0.45 0.22 -0.51 0.00 0.00 0.00 175.76 176.06 2fe0 s LEU 74 N -0.40 2.91 0.00 0.00 1.43 0.24 -4.89 118.68 117.96 2fe0 s LEU 74 Ca 0.06 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 2fe0 s LEU 74 Cb -0.12 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2fe0 s LEU 74 CO 0.02 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.48 2fe0 n GLY 75 N -1.38 1.49 0.25 -3.19 0.00 -1.26 -0.61 105.19 100.48 2fe0 n GLY 75 Ca -0.04 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 13.91 1.06 -1.61 1.61 2.85 -1.26 -4.91 118.16 129.80 2fe0 n LYS 76 Ca 0.00 -0.50 -0.60 0.00 -1.05 0.00 0.00 58.31 56.16 2fe0 n LYS 76 Cb 0.00 -1.49 -0.09 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 -0.54 0.15 -2.79 0.58 -1.04 0.22 -4.87 114.28 106.00 2fe0 n THR 77 Ca 0.16 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 2fe0 n THR 77 Cb 0.30 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.84 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 4.13 4.44 -0.12 -2.82 2.47 -1.20 -4.51 119.74 122.13 2fe0 s LYS 78 Ca 1.05 1.25 0.03 0.00 -1.56 0.00 0.00 55.97 56.74 2fe0 s LYS 78 Cb -1.25 -3.51 0.01 0.00 -1.46 0.00 0.00 37.83 31.61 2fe0 s LYS 78 CO 0.69 -0.19 -0.21 -1.17 0.16 0.00 0.00 175.35 174.63 2fe0 s LEU 79 N 1.60 2.01 0.03 5.43 2.96 -1.26 -3.29 118.68 126.16 2fe0 s LEU 79 Ca 0.46 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 2fe0 s LEU 79 Cb -0.19 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.18 2fe0 s LEU 79 CO 0.19 0.10 0.24 -1.83 -1.32 0.00 0.00 176.35 173.73 2fe0 s GLU 80 N 0.66 0.71 0.12 1.98 -1.05 -1.10 -5.01 118.70 115.00 2fe0 s GLU 80 Ca -0.12 -0.53 0.04 0.00 -0.15 0.00 0.00 54.97 54.21 2fe0 s GLU 80 Cb -0.16 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.79 2fe0 s GLU 80 CO 0.03 -0.21 0.07 -1.14 0.95 0.00 0.00 175.26 174.95 2fe0 s GLN 81 N -2.36 2.76 0.35 -4.83 0.74 -1.26 -1.90 119.66 113.16 2fe0 s GLN 81 Ca -0.07 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.60 2fe0 s GLN 81 Cb -0.02 -2.62 -0.02 0.00 1.10 0.00 0.00 33.01 31.45 2fe0 s GLN 81 CO -0.03 0.53 0.40 -0.65 -0.55 0.00 0.00 175.29 174.99 2fe0 s GLN 82 N -2.63 2.88 0.30 1.67 -1.52 -0.44 -4.94 119.66 114.99 2fe0 s GLN 82 Ca 0.29 -1.19 0.01 0.00 -1.95 0.00 0.00 55.36 52.52 2fe0 s GLN 82 Cb -0.11 -2.63 0.49 0.00 -0.22 0.00 0.00 33.01 30.53 2fe0 s GLN 82 CO 0.21 0.03 1.84 1.49 -0.25 0.00 0.00 175.29 178.61 2fe0 h GLU 83 N 1.03 0.68 0.00 2.91 4.81 -2.00 -1.78 114.58 120.23 2fe0 h GLU 83 Ca -0.44 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 2fe0 h GLU 83 Cb 1.26 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2fe0 h GLU 83 CO 0.55 0.66 -0.09 -2.95 -0.73 0.00 0.00 179.01 176.45 2fe0 h ASN 84 N 0.66 0.00 0.00 1.04 -0.00 -2.06 -3.46 115.58 111.76 2fe0 h ASN 84 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.44 2fe0 h ASN 84 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 2fe0 h ASN 84 CO 0.01 0.09 0.00 0.61 -0.00 0.00 0.00 177.43 178.14 2fe0 n GLY 85 N -0.86 0.85 3.08 9.14 0.00 -0.67 -5.01 105.19 111.72 2fe0 n GLY 85 Ca -0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.83 0.38 -0.14 1.61 2.02 -1.25 -1.87 118.70 117.61 2fe0 s GLU 86 Ca 0.00 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 54.75 2fe0 s GLU 86 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 2fe0 s GLU 86 CO 0.00 -0.08 0.09 -1.58 0.02 0.00 0.00 175.26 173.71 2fe0 s TRP 87 N -0.86 3.40 -0.02 1.61 0.52 0.14 -1.32 118.94 122.40 2fe0 s TRP 87 Ca -0.09 0.32 0.06 0.00 0.02 0.00 0.00 56.10 56.40 2fe0 s TRP 87 Cb -0.05 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2fe0 s TRP 87 CO 0.01 0.49 -0.18 0.08 0.02 0.00 0.00 176.95 177.37 2fe0 s VAL 88 N -0.49 1.43 -0.20 4.03 1.01 -0.80 0.67 120.40 126.05 2fe0 s VAL 88 Ca 0.11 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 2fe0 s VAL 88 Cb -0.12 -1.19 0.07 0.00 0.00 0.00 0.00 36.38 35.14 2fe0 s VAL 88 CO 0.02 0.41 0.12 0.00 0.00 0.00 0.00 175.10 175.65 2fe0 s ALA 89 N -0.40 0.31 0.03 5.51 0.00 -1.03 -2.73 121.76 123.46 2fe0 s ALA 89 Ca 0.06 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.77 2fe0 s ALA 89 Cb -0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2fe0 s ALA 89 CO -0.01 -1.27 -0.24 -1.54 0.00 0.00 0.00 175.76 172.71 2fe0 s SER 90 N 2.17 3.37 -0.18 0.00 1.04 -1.21 -3.19 113.70 115.70 2fe0 s SER 90 Ca 0.04 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 55.68 2fe0 s SER 90 Cb -0.16 -0.41 0.08 0.00 0.10 0.00 0.00 66.02 65.63 2fe0 s SER 90 CO -0.15 0.27 0.77 0.54 0.98 0.00 0.00 173.24 175.65 2fe0 s VAL 91 N -0.81 0.00 -0.14 5.02 0.11 -1.02 -3.21 120.40 120.35 2fe0 s VAL 91 Ca 0.12 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.11 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2fe0 s VAL 91 CO 0.03 0.00 0.07 -0.69 -3.33 0.00 0.00 175.10 171.18 2fe0 s VAL 92 N -0.39 4.91 -0.13 2.04 1.01 -1.26 -1.88 120.40 124.70 2fe0 s VAL 92 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2fe0 s VAL 92 Cb -0.03 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2fe0 s VAL 92 CO 0.04 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 2fe0 s VAL 93 N -0.31 2.91 0.36 2.92 1.01 -0.27 -5.02 120.40 122.00 2fe0 s VAL 93 Ca 0.09 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2fe0 s VAL 93 Cb -0.12 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2fe0 s VAL 93 CO 0.02 0.52 0.65 -0.31 0.00 0.00 0.00 175.10 175.98 2fe0 s TYR 94 N 0.47 3.50 0.77 5.22 2.02 -1.26 -2.38 117.35 125.68 2fe0 s TYR 94 Ca -0.10 0.73 -0.14 0.00 -0.37 0.00 0.00 57.07 57.19 2fe0 s TYR 94 Cb -0.16 -2.19 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2fe0 s TYR 94 CO 0.05 0.01 1.18 -2.14 -1.57 0.00 0.00 175.55 173.08 2fe0 s PRO 95 N -3.98 1.96 -1.63 -1.71 0.02 -1.26 -2.68 135.00 125.73 2fe0 s PRO 95 Ca 0.46 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.14 2fe0 s PRO 95 Cb -0.10 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2fe0 s PRO 95 CO 0.34 -1.95 0.00 0.00 -0.33 0.00 0.00 177.00 175.06 2fe0 s GLU 97 N -3.84 0.35 -0.02 0.00 2.02 -1.09 -5.11 118.70 111.00 2fe0 s GLU 97 Ca 0.00 -0.11 0.06 0.00 0.02 0.00 0.00 54.97 54.93 2fe0 s GLU 97 Cb 0.00 0.15 -0.01 0.00 0.10 0.00 0.00 34.13 34.37 2fe0 s GLU 97 CO 0.00 -0.07 -0.20 0.99 0.02 0.00 0.00 175.26 176.00 2fe0 s THR 98 N -0.72 1.58 0.17 3.63 2.01 -1.26 -3.98 115.64 117.08 2fe0 s THR 98 Ca -0.08 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.11 2fe0 s THR 98 Cb -0.05 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 2fe0 s THR 98 CO 0.01 0.45 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.75 2fe0 s GLU 99 N -0.33 1.11 0.40 4.92 0.41 -1.24 -5.07 118.70 118.90 2fe0 s GLU 99 Ca 0.04 -1.52 -0.09 0.00 -0.41 0.00 0.00 54.97 52.98 2fe0 s GLU 99 Cb -0.09 -0.38 -0.06 0.00 -1.78 0.00 0.00 34.13 31.82 2fe0 s GLU 99 CO 0.00 -0.08 0.75 -1.64 -0.49 0.00 0.00 175.26 173.80 2fe0 s MET 100 N -3.87 3.74 0.00 1.61 -1.94 -1.26 -3.49 119.30 114.09 2fe0 s MET 100 Ca 0.22 0.40 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 2fe0 s MET 100 Cb 0.05 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.48 2fe0 s MET 100 CO 0.03 -0.02 0.00 0.34 -0.01 0.00 0.00 175.02 175.36 2fe0 n PHE 101 N -1.33 0.00 -4.45 -0.03 7.35 -0.99 -4.37 117.46 113.64 2fe0 n PHE 101 Ca 0.02 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 2fe0 n PHE 101 Cb 0.54 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.27 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 1.25 2.21 0.03 -2.13 -5.25 -1.26 0.82 121.20 116.86 2fe0 s ILE 102 Ca 0.00 -2.31 -0.00 0.00 -0.99 0.00 0.00 60.65 57.35 2fe0 s ILE 102 Cb 0.00 -2.32 -0.03 0.00 2.95 0.00 0.00 42.46 43.06 2fe0 s ILE 102 CO 0.00 -0.40 -0.03 -0.70 -1.79 0.00 0.00 174.94 172.02 2fe0 s GLU 103 N -3.58 0.42 0.00 0.37 2.12 -0.71 0.39 118.70 117.71 2fe0 s GLU 103 Ca 0.29 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2fe0 s GLU 103 Cb -0.02 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2fe0 s GLU 103 CO 0.13 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 2fe0 n GLY 104 N 1.08 0.55 3.85 -1.50 0.00 -0.83 0.28 105.19 108.63 2fe0 n GLY 104 Ca -0.21 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.09 3.76 -0.08 1.61 3.52 0.56 -4.84 118.95 123.39 2fe0 s ARG 105 Ca 0.00 0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.84 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 0.70 -0.24 0.08 -0.81 0.00 0.00 175.30 175.02 2fe0 s VAL 106 N -0.97 2.08 -0.06 7.11 1.01 -1.26 -3.07 120.40 125.24 2fe0 s VAL 106 Ca 0.20 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2fe0 s VAL 106 Cb -0.15 -1.77 0.03 0.00 0.00 0.00 0.00 36.38 34.50 2fe0 s VAL 106 CO 0.09 0.56 0.05 0.54 0.00 0.00 0.00 175.10 176.35 2fe0 s ASN 107 N 0.11 1.38 -0.12 3.32 4.22 -1.26 -5.00 114.94 117.58 2fe0 s ASN 107 Ca -0.12 -0.04 -0.05 0.00 -2.14 0.00 0.00 52.86 50.51 2fe0 s ASN 107 Cb -0.16 -0.20 0.02 0.00 1.28 0.00 0.00 41.25 42.19 2fe0 s ASN 107 CO 0.07 -0.25 0.11 0.61 -2.04 0.00 0.00 177.10 175.59 2fe0 n GLY 108 N 5.27 -2.87 3.17 0.45 0.00 -1.26 -4.50 105.19 105.45 2fe0 n GLY 108 Ca -0.04 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.63 0.16 -0.18 1.61 -0.71 -1.26 -3.79 117.98 113.18 2fe0 s PHE 109 Ca -0.12 -0.50 -0.04 0.00 -1.04 0.00 0.00 56.93 55.22 2fe0 s PHE 109 Cb 0.01 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 2fe0 s PHE 109 CO 0.45 -0.46 -0.02 0.21 -1.34 0.00 0.00 175.22 174.06 2fe0 s LYS 110 N -3.22 3.66 -0.11 1.99 2.20 0.01 -4.98 119.74 119.30 2fe0 s LYS 110 Ca 0.00 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 2fe0 s LYS 110 Cb 0.02 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2fe0 s LYS 110 CO -0.07 0.14 -0.08 -1.12 -0.36 0.00 0.00 175.35 173.86 2fe0 s SER 111 N 0.64 4.52 -0.05 1.43 0.01 -1.26 -0.20 113.70 118.79 2fe0 s SER 111 Ca -0.01 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 2fe0 s SER 111 Cb -0.14 -1.42 0.03 0.00 0.21 0.00 0.00 66.02 64.69 2fe0 s SER 111 CO 0.02 0.26 0.01 -0.75 0.41 0.00 0.00 173.24 173.19 2fe0 s LYS 112 N -0.21 0.42 0.20 12.44 2.20 0.06 -4.99 119.74 129.85 2fe0 s LYS 112 Ca 0.02 0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.81 2fe0 s LYS 112 Cb -0.13 -0.74 -0.05 0.00 -1.51 0.00 0.00 37.83 35.41 2fe0 s LYS 112 CO 0.03 -0.24 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.07 2fe0 s MET 113 N 1.64 1.24 0.29 4.03 -1.94 -1.26 -1.31 119.30 121.99 2fe0 s MET 113 Ca -0.01 -1.58 -0.16 0.00 -1.71 0.00 0.00 55.69 52.23 2fe0 s MET 113 Cb -0.13 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 35.99 2fe0 s MET 113 CO -0.03 0.03 0.64 0.34 -0.01 0.00 0.00 175.02 175.98 2fe0 s ASP 114 N -3.26 -0.08 -0.53 3.03 2.15 -1.19 -5.04 116.67 111.75 2fe0 s ASP 114 Ca 0.23 -0.87 0.04 0.00 0.43 0.00 0.00 52.55 52.38 2fe0 s ASP 114 Cb 0.03 0.70 0.14 0.00 -0.30 0.00 0.00 42.92 43.50 2fe0 s ASP 114 CO 0.05 -1.34 0.31 0.00 -0.17 0.00 0.00 175.17 174.02 2fe0 s ALA 115 N -3.60 2.90 0.33 3.66 0.00 -1.26 -3.10 121.76 120.69 2fe0 s ALA 115 Ca 0.17 -3.11 -0.15 0.00 0.00 0.00 0.00 51.96 48.87 2fe0 s ALA 115 Cb -0.04 -2.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 2fe0 s ALA 115 CO 0.09 -2.05 0.74 -0.51 0.00 0.00 0.00 175.76 174.04 2fe0 s LEU 116 N -0.30 4.03 0.44 0.00 1.43 -0.96 -4.83 118.68 118.49 2fe0 s LEU 116 Ca 0.20 1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 2fe0 s LEU 116 Cb -0.19 -4.08 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 2fe0 s LEU 116 CO -0.05 -0.23 1.12 -2.16 0.23 0.00 0.00 176.35 175.27 2fe0 s PRO 117 N -3.08 3.89 -0.28 1.29 0.04 -1.26 0.92 135.00 136.51 2fe0 s PRO 117 Ca 0.54 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 2fe0 s PRO 117 Cb -0.10 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 2fe0 s PRO 117 CO 0.19 -0.42 1.75 -0.51 0.04 0.00 0.00 177.00 178.05 2fe0 s LEU 118 N -2.92 3.65 0.00 -3.56 1.43 -1.22 -4.63 118.68 111.43 2fe0 s LEU 118 Ca 0.62 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2fe0 s LEU 118 Cb -0.26 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2fe0 s LEU 118 CO 0.32 -1.55 0.00 -1.20 0.23 0.00 0.00 176.35 174.15 2fe0 n SER 119 N 9.63 0.00 0.21 2.29 7.64 -1.26 -4.88 113.62 127.25 2fe0 n SER 119 Ca 0.22 -0.81 0.08 0.00 1.01 0.00 0.00 58.87 59.36 2fe0 n SER 119 Cb 0.46 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.26 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2fe0 h GLU 120 N 0.00 0.09 -0.89 1.43 4.11 -2.00 -1.78 114.58 115.54 2fe0 h GLU 120 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.52 2fe0 h GLU 120 Cb 0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 2fe0 h GLU 120 CO 0.00 0.06 0.53 1.05 0.07 0.00 0.00 179.01 180.72 2fe0 h GLU 121 N 0.10 0.86 -0.49 1.06 4.11 -1.99 -0.73 114.58 117.50 2fe0 h GLU 121 Ca 0.03 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.34 2fe0 h GLU 121 Cb 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2fe0 h GLU 121 CO -0.01 0.57 0.02 -0.92 0.07 0.00 0.00 179.01 178.74 2fe0 h TYR 122 N 0.89 0.92 -0.78 2.06 3.20 -1.66 -0.45 116.97 121.14 2fe0 h TYR 122 Ca 0.43 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 62.19 2fe0 h TYR 122 Cb 0.37 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 2fe0 h TYR 122 CO -0.04 0.86 0.49 0.00 -1.64 0.00 0.00 178.16 177.83 2fe0 h ARG 123 N 0.71 0.90 -0.30 1.82 3.08 -1.15 -1.63 114.38 117.81 2fe0 h ARG 123 Ca 0.14 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 2fe0 h ARG 123 Cb 0.48 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2fe0 h ARG 123 CO 0.02 0.60 -0.44 1.96 -1.07 0.00 0.00 179.97 181.04 2fe0 h GLN 124 N 0.93 0.76 -0.55 0.04 4.20 -0.99 -2.16 115.11 117.34 2fe0 h GLN 124 Ca 0.32 -0.42 0.07 0.00 0.06 0.00 0.00 58.65 58.69 2fe0 h GLN 124 Cb 0.07 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 2fe0 h GLN 124 CO -0.13 1.04 0.22 1.25 -0.67 0.00 0.00 178.83 180.54 2fe0 h HIS 125 N 0.61 0.40 -0.19 2.96 2.76 -0.27 0.85 115.15 122.27 2fe0 h HIS 125 Ca 0.04 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 2fe0 h HIS 125 Cb 1.00 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2fe0 h HIS 125 CO 0.05 0.14 -0.43 1.96 -1.30 0.00 0.00 177.93 178.35 2fe0 h GLN 126 N 0.43 0.45 0.25 5.26 1.08 -1.27 -0.07 115.11 121.24 2fe0 h GLN 126 Ca 0.26 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2fe0 h GLN 126 Cb 0.26 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2fe0 h GLN 126 CO -0.24 0.80 -0.12 0.00 -0.95 0.00 0.00 178.83 178.32 2fe0 h ALA 127 N 1.17 -0.34 0.00 3.87 0.00 -0.56 -3.10 119.26 120.29 2fe0 h ALA 127 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2fe0 h ALA 127 Cb 0.91 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2fe0 h ALA 127 CO 0.08 -0.43 0.00 1.05 0.00 0.00 0.00 179.25 179.95 2fe0 h GLU 128 N -0.87 0.00 -0.91 0.00 -0.00 0.63 -3.17 114.58 110.26 2fe0 h GLU 128 Ca -0.03 0.00 0.15 0.00 -0.00 0.00 0.00 59.36 59.47 2fe0 h GLU 128 Cb 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.11 2fe0 h GLU 128 CO 0.06 0.00 -0.36 -0.22 -0.00 0.00 0.00 179.01 178.48 2fe0 h LYS 129 N 0.00 -0.03 -7.04 1.06 3.64 -0.92 -3.44 116.57 109.84 2fe0 h LYS 129 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 2fe0 h LYS 129 Cb 0.29 0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 31.81 2fe0 h LYS 129 CO 0.00 -0.02 -0.89 -3.47 -2.27 0.00 0.00 179.45 172.80 2fe0 n ASP 130 N -5.48 -1.90 0.00 4.20 2.03 -1.20 -5.10 116.55 109.11 2fe0 n ASP 130 Ca 0.09 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2fe0 n ASP 130 Cb 0.40 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.82 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45