#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 s GLY 2 N 0.00 2.84 0.01 3.03 0.00 -1.26 -5.02 107.32 106.91 2fe0 s GLY 2 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.13 2fe0 s GLY 2 CO 0.00 2.13 -0.01 0.00 0.00 0.00 0.00 173.10 175.22 2fe0 n GLY 4 N 2.71 0.45 3.20 0.00 0.00 -1.26 -5.04 105.19 105.25 2fe0 n GLY 4 Ca -0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 -0.41 0.44 4.61 0.00 -1.26 -5.12 121.76 118.02 2fe0 s ALA 5 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2fe0 s ALA 5 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2fe0 s ALA 5 CO 0.00 -0.39 0.00 0.45 0.00 0.00 0.00 175.76 175.82 2fe0 n SER 6 N 0.56 -6.18 -1.02 0.00 2.88 -1.26 -4.94 113.62 103.66 2fe0 n SER 6 Ca -0.18 1.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.47 2fe0 n SER 6 Cb 0.59 -4.10 -0.04 0.00 -0.75 0.00 0.00 64.21 59.92 2fe0 n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2fe0 n SER 7 N -4.12 -5.14 -4.37 -3.46 2.88 -1.26 -4.75 113.62 93.40 2fe0 n SER 7 Ca -0.06 0.55 -0.32 0.00 -1.33 0.00 0.00 58.87 57.72 2fe0 n SER 7 Cb 0.56 -3.27 -0.15 0.00 -0.75 0.00 0.00 64.21 60.60 2fe0 n SER 7 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2fe0 s GLU 8 N -2.85 2.31 -1.40 -1.46 0.41 -1.26 -4.66 118.70 109.78 2fe0 s GLU 8 Ca 0.00 -0.84 -0.09 0.00 -0.41 0.00 0.00 54.97 53.63 2fe0 s GLU 8 Cb 0.00 -2.19 0.04 0.00 -1.78 0.00 0.00 34.13 30.20 2fe0 s GLU 8 CO 0.00 0.56 1.06 0.09 -0.49 0.00 0.00 175.26 176.48 2fe0 n ASN 9 N 2.45 -4.98 -3.10 -0.19 5.03 -1.26 -3.85 115.26 109.36 2fe0 n ASN 9 Ca -0.17 -0.66 -0.00 0.00 0.87 0.00 0.00 54.58 54.62 2fe0 n ASN 9 Cb 0.52 -4.55 -0.00 0.00 -1.02 0.00 0.00 39.78 34.72 2fe0 n ASN 9 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2fe0 n SER 10 N -2.97 -6.80 0.00 6.41 7.64 -1.26 -4.99 113.62 111.66 2fe0 n SER 10 Ca -0.03 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2fe0 n SER 10 Cb 0.57 -1.94 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 2fe0 n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2fe0 n SER 11 N 1.75 2.05 -3.83 6.43 7.64 -1.25 -5.16 113.62 121.25 2fe0 n SER 11 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 2fe0 n SER 11 Cb 0.29 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.34 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fe0 s VAL 12 N -0.43 -0.02 -0.05 0.44 1.01 -1.26 -4.87 120.40 115.21 2fe0 s VAL 12 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2fe0 s VAL 12 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.33 2fe0 s VAL 12 CO 0.00 0.04 -0.17 -0.89 0.00 0.00 0.00 175.10 174.08 2fe0 s THR 13 N 0.45 1.42 0.47 3.92 2.01 -1.26 -5.01 115.64 117.64 2fe0 s THR 13 Ca -0.04 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2fe0 s THR 13 Cb -0.05 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2fe0 s THR 13 CO -0.01 0.41 0.25 -0.31 -0.69 0.00 0.00 174.62 174.26 2fe0 s TYR 14 N 0.16 2.16 0.20 4.92 2.02 -1.26 -5.01 117.35 120.53 2fe0 s TYR 14 Ca -0.06 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 2fe0 s TYR 14 Cb -0.13 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2fe0 s TYR 14 CO 0.03 -0.06 0.00 1.55 -1.57 0.00 0.00 175.55 175.50 2fe0 n VAL 15 N -1.45 0.06 0.22 0.71 3.14 -1.26 -4.86 118.33 114.89 2fe0 n VAL 15 Ca -0.04 0.02 0.07 0.00 -2.96 0.00 0.00 64.34 61.43 2fe0 n VAL 15 Cb 0.65 -0.58 0.50 0.00 -1.06 0.00 0.00 33.84 33.34 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 -1.98 -3.47 115.58 119.03 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 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2fe0 h ASN 16 CO 0.00 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.65 2fe0 n GLY 17 N -0.44 1.34 3.88 2.83 0.00 -1.26 -5.03 105.19 106.50 2fe0 n GLY 17 Ca -0.02 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 0.25 1.61 1.81 -1.26 -4.80 118.95 118.31 2fe0 s ARG 18 Ca 0.00 0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 53.88 2fe0 s ARG 18 Cb 0.00 -2.78 -0.09 0.00 -0.45 0.00 0.00 34.95 31.62 2fe0 s ARG 18 CO 0.00 0.41 1.21 -1.25 -0.68 0.00 0.00 175.30 175.00 2fe0 s PRO 19 N -2.56 4.49 0.04 3.54 0.04 -1.26 -4.92 135.00 134.36 2fe0 s PRO 19 Ca 0.42 1.97 0.22 0.00 0.04 0.00 0.00 61.00 63.66 2fe0 s PRO 19 Cb -0.12 -3.17 0.93 0.00 0.04 0.00 0.00 34.50 32.17 2fe0 s PRO 19 CO 0.22 -0.05 1.71 0.25 0.04 0.00 0.00 177.00 179.17 2fe0 n THR 20 N 1.70 0.53 -5.25 1.26 -2.24 -1.26 -4.69 114.28 104.33 2fe0 n THR 20 Ca 0.02 0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 2fe0 n THR 20 Cb 0.44 -0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.04 2.31 -0.03 4.78 5.36 -1.26 -5.12 117.98 120.98 2fe0 s PHE 21 Ca 0.10 -0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 2fe0 s PHE 21 Cb 0.14 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 41.34 2fe0 s PHE 21 CO 0.42 -0.12 0.03 0.08 -1.46 0.00 0.00 175.22 174.16 2fe0 s VAL 22 N -0.37 0.04 0.00 3.12 1.01 -1.26 -5.05 120.40 117.88 2fe0 s VAL 22 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2fe0 s VAL 22 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2fe0 s VAL 22 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2fe0 n GLY 23 N 4.59 0.52 2.06 4.51 0.00 -1.26 -4.98 105.19 110.63 2fe0 n GLY 23 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2fe0 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fe0 n GLU 24 N 0.00 0.00 -3.45 1.61 4.07 -0.48 -4.87 120.64 117.52 2fe0 n GLU 24 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2fe0 s GLU 25 N -2.00 4.24 -0.05 5.31 2.56 -0.66 -4.95 118.70 123.14 2fe0 s GLU 25 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.97 55.20 2fe0 s GLU 25 Cb 0.00 -3.47 -0.01 0.00 2.00 0.00 0.00 34.13 32.65 2fe0 s GLU 25 CO 0.00 0.12 -0.22 0.08 -0.56 0.00 0.00 175.26 174.68 2fe0 s VAL 26 N 0.82 1.83 -0.02 3.70 1.01 -1.26 -0.89 120.40 125.59 2fe0 s VAL 26 Ca 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2fe0 s VAL 26 Cb -0.14 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2fe0 s VAL 26 CO 0.06 0.51 -0.00 -0.89 0.00 0.00 0.00 175.10 174.79 2fe0 s THR 27 N -0.10 0.15 -0.27 3.92 2.01 -0.49 -4.92 115.64 115.94 2fe0 s THR 27 Ca -0.03 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 2fe0 s THR 27 Cb -0.13 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 2fe0 s THR 27 CO 0.03 0.12 0.81 -0.54 -0.69 0.00 0.00 174.62 174.35 2fe0 s LYS 28 N 0.83 4.08 0.00 4.92 1.02 -1.26 0.26 119.74 129.59 2fe0 s LYS 28 Ca -0.08 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.68 2fe0 s LYS 28 Cb -0.11 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 2fe0 s LYS 28 CO -0.02 -0.60 0.52 0.41 -0.92 0.00 0.00 175.35 174.75 2fe0 n GLY 29 N 3.97 -3.33 3.66 -3.33 0.00 -0.73 -4.40 105.19 101.04 2fe0 n GLY 29 Ca 0.05 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.07 3.38 0.48 1.61 0.08 -1.25 -4.92 117.98 116.29 2fe0 s PHE 30 Ca 0.00 1.30 0.18 0.00 0.12 0.00 0.00 56.93 58.53 2fe0 s PHE 30 Cb 0.00 -3.09 1.24 0.00 -0.57 0.00 0.00 43.02 40.60 2fe0 s PHE 30 CO 0.00 -0.33 2.08 1.49 -0.10 0.00 0.00 175.22 178.36 2fe0 h GLU 31 N 7.43 0.00 -7.22 0.44 4.57 -1.88 -3.35 114.58 114.57 2fe0 h GLU 31 Ca -0.26 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.40 2fe0 h GLU 31 Cb 1.11 0.00 0.16 0.00 -0.16 0.00 0.00 28.75 29.85 2fe0 h GLU 31 CO 0.88 0.10 0.34 0.21 -1.18 0.00 0.00 179.01 179.35 2fe0 s LYS 32 N -4.72 1.96 2.97 1.92 2.20 -1.26 -4.50 119.74 118.31 2fe0 s LYS 32 Ca -0.04 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 2fe0 s LYS 32 Cb 0.16 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2fe0 s LYS 32 CO 0.66 -1.93 0.00 -0.25 -0.36 0.00 0.00 175.35 173.47 2fe0 n ASP 33 N -3.16 -2.79 -0.64 1.43 8.00 -1.26 -2.67 116.55 115.46 2fe0 n ASP 33 Ca 0.12 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.63 2fe0 n ASP 33 Cb 0.51 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.85 1.49 0.00 -2.24 3.02 -1.26 -4.76 115.26 108.65 2fe0 n ASN 34 Ca 0.00 -2.10 0.00 0.00 -0.03 0.00 0.00 54.58 52.45 2fe0 n ASN 34 Cb 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 0.06 3.41 5.01 7.41 0.00 -1.09 -4.87 105.19 115.12 2fe0 n GLY 35 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.46 0.99 4.77 -1.26 -3.92 117.00 113.12 2fe0 n LEU 36 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2fe0 n LEU 36 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2fe0 n LEU 36 CO 0.00 0.00 -0.41 -0.22 -1.33 0.00 0.00 177.39 175.43 2fe0 s LEU 37 N 0.00 2.93 -0.19 2.23 2.96 -1.26 -3.67 118.68 121.67 2fe0 s LEU 37 Ca 0.00 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2fe0 s LEU 37 Cb 0.00 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2fe0 s LEU 37 CO 0.00 0.24 0.06 -0.36 -1.32 0.00 0.00 176.35 174.96 2fe0 s PHE 38 N -0.06 3.19 -0.74 5.38 0.40 -1.25 -1.77 117.98 123.12 2fe0 s PHE 38 Ca -0.01 -0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.02 2fe0 s PHE 38 Cb -0.14 -2.10 0.07 0.00 0.51 0.00 0.00 43.02 41.36 2fe0 s PHE 38 CO 0.03 0.02 1.11 0.50 0.70 0.00 0.00 175.22 177.58 2fe0 s ARG 39 N 0.65 3.23 -0.06 0.44 3.52 0.74 -3.74 118.95 123.75 2fe0 s ARG 39 Ca 0.03 -0.83 -0.22 0.00 -0.13 0.00 0.00 55.73 54.58 2fe0 s ARG 39 Cb -0.13 -4.40 -0.04 0.00 -1.56 0.00 0.00 34.95 28.81 2fe0 s ARG 39 CO 0.02 -1.93 0.65 0.42 -0.81 0.00 0.00 175.30 173.64 2fe0 s ILE 40 N 4.39 5.03 -0.05 4.11 1.01 -0.62 -1.39 121.20 133.68 2fe0 s ILE 40 Ca 0.29 1.33 -0.00 0.00 0.00 0.00 0.00 60.65 62.27 2fe0 s ILE 40 Cb -0.12 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.39 2fe0 s ILE 40 CO 0.07 0.30 -0.01 -0.69 0.00 0.00 0.00 174.94 174.61 2fe0 s VAL 41 N 0.53 0.36 -0.48 2.92 1.01 -0.06 -1.02 120.40 123.66 2fe0 s VAL 41 Ca 0.34 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2fe0 s VAL 41 Cb -0.18 -0.46 0.12 0.00 0.00 0.00 0.00 36.38 35.87 2fe0 s VAL 41 CO 0.17 0.21 0.38 0.21 0.00 0.00 0.00 175.10 176.07 2fe0 s ASN 42 N 1.34 5.84 0.54 3.32 3.84 -1.15 -1.38 114.94 127.28 2fe0 s ASN 42 Ca -0.05 -1.82 0.27 0.00 0.21 0.00 0.00 52.86 51.47 2fe0 s ASN 42 Cb -0.13 -2.07 1.43 0.00 -0.55 0.00 0.00 41.25 39.93 2fe0 s ASN 42 CO -0.02 -0.72 1.98 0.11 -2.79 0.00 0.00 177.10 175.66 2fe0 h LYS 43 N 8.57 0.00 0.00 0.43 1.57 -1.92 2.82 116.57 128.04 2fe0 h LYS 43 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2fe0 h LYS 43 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2fe0 h LYS 43 CO 0.90 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.95 2fe0 n LYS 44 N -4.30 0.00 0.00 3.15 4.81 -1.26 -3.28 118.16 117.28 2fe0 n LYS 44 Ca 0.10 0.60 0.13 0.00 -0.87 0.00 0.00 58.31 58.27 2fe0 n LYS 44 Cb 0.65 -1.49 0.38 0.00 0.02 0.00 0.00 35.03 34.58 2fe0 n LYS 44 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2fe0 n LYS 45 N -2.18 1.00 -2.81 1.64 5.02 -1.07 -4.93 118.16 114.82 2fe0 n LYS 45 Ca 0.00 -0.60 -0.20 0.00 -2.02 0.00 0.00 58.31 55.48 2fe0 n LYS 45 Cb 0.00 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.53 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fe0 n LYS 46 N -0.47 -3.29 -3.65 1.97 4.76 0.94 -4.40 118.16 114.01 2fe0 n LYS 46 Ca 0.13 0.79 -0.37 0.00 -2.87 0.00 0.00 58.31 56.00 2fe0 n LYS 46 Cb 0.36 -5.53 -0.10 0.00 -1.84 0.00 0.00 35.03 27.92 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 -5.46 4.05 0.26 1.97 -2.07 -1.16 -2.19 119.66 115.05 2fe0 s GLN 47 Ca 0.18 -0.28 -0.20 0.00 -1.82 0.00 0.00 55.36 53.24 2fe0 s GLN 47 Cb -0.09 -3.55 -0.09 0.00 -1.09 0.00 0.00 33.01 28.19 2fe0 s GLN 47 CO 0.23 0.02 0.76 -1.58 -1.32 0.00 0.00 175.29 173.40 2fe0 s TRP 48 N 1.18 3.61 0.01 9.60 0.52 0.19 -2.96 118.94 131.09 2fe0 s TRP 48 Ca 0.07 1.43 -0.06 0.00 0.02 0.00 0.00 56.10 57.56 2fe0 s TRP 48 Cb -0.14 -2.66 -0.00 0.00 -1.15 0.00 0.00 33.47 29.52 2fe0 s TRP 48 CO 0.06 0.27 0.10 0.00 0.02 0.00 0.00 176.95 177.40 2fe0 s ALA 49 N -1.62 -0.20 -0.02 0.98 0.00 -0.19 -1.20 121.76 119.51 2fe0 s ALA 49 Ca 0.46 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.17 2fe0 s ALA 49 Cb -0.16 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2fe0 s ALA 49 CO 0.21 -0.22 -0.16 0.71 0.00 0.00 0.00 175.76 176.29 2fe0 s TYR 50 N -1.66 1.47 -0.17 0.00 2.02 -1.20 -1.58 117.35 116.23 2fe0 s TYR 50 Ca -0.13 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2fe0 s TYR 50 Cb -0.07 -0.97 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 2fe0 s TYR 50 CO -0.00 -0.07 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.26 2fe0 s TYR 51 N -0.23 2.56 -0.03 2.71 5.04 -1.25 -3.58 117.35 122.57 2fe0 s TYR 51 Ca 0.03 -1.48 -0.22 0.00 -2.44 0.00 0.00 57.07 52.96 2fe0 s TYR 51 Cb -0.08 -1.80 -0.05 0.00 0.35 0.00 0.00 41.96 40.39 2fe0 s TYR 51 CO 0.00 -0.75 0.64 1.21 -1.34 0.00 0.00 175.55 175.31 2fe0 s ASN 52 N 1.33 6.98 -0.13 4.32 3.84 -1.25 -3.76 114.94 126.26 2fe0 s ASN 52 Ca 0.04 1.17 0.03 0.00 0.21 0.00 0.00 52.86 54.31 2fe0 s ASN 52 Cb -0.13 -2.39 -0.10 0.00 -0.55 0.00 0.00 41.25 38.08 2fe0 s ASN 52 CO -0.12 0.00 -0.09 -0.90 -2.79 0.00 0.00 177.10 173.20 2fe0 n ASP 53 N 3.22 2.81 -4.68 -4.21 5.75 -1.24 -3.64 116.55 114.55 2fe0 n ASP 53 Ca -0.04 -0.06 -0.45 0.00 -0.01 0.00 0.00 54.79 54.23 2fe0 n ASP 53 Cb 0.51 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.52 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 -2.81 0.44 0.02 2.12 -2.24 -1.26 -4.72 114.28 105.82 2fe0 n THR 54 Ca -0.23 -0.08 0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2fe0 n THR 54 Cb 0.78 -1.98 0.28 0.00 -2.10 0.00 0.00 70.33 67.31 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 4.77 0.82 0.00 4.28 -2.24 -1.26 -4.01 114.28 116.64 2fe0 n THR 55 Ca 0.20 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2fe0 n THR 55 Cb 0.34 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.35 3.27 -4.10 -0.78 0.00 -1.26 -5.04 117.38 110.81 2fe0 n GLN 56 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.07 2fe0 n GLN 56 Cb 0.53 -0.69 -0.12 0.00 0.00 0.00 0.00 30.24 29.96 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 -1.29 0.62 0.12 2.61 2.02 -1.26 -3.46 117.35 116.71 2fe0 s TYR 57 Ca 0.00 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 2fe0 s TYR 57 Cb 0.00 -0.38 -0.06 0.00 -0.40 0.00 0.00 41.96 41.12 2fe0 s TYR 57 CO 0.00 -0.05 0.45 -1.83 -1.57 0.00 0.00 175.55 172.54 2fe0 s GLU 58 N -1.06 3.79 -0.29 -0.62 -1.05 0.22 -4.58 118.70 115.10 2fe0 s GLU 58 Ca -0.06 0.21 -0.17 0.00 -0.15 0.00 0.00 54.97 54.80 2fe0 s GLU 58 Cb -0.07 -2.91 -0.02 0.00 -0.44 0.00 0.00 34.13 30.68 2fe0 s GLU 58 CO 0.00 0.50 0.49 -1.64 0.95 0.00 0.00 175.26 175.56 2fe0 s MET 59 N -2.15 3.91 -0.24 -4.83 -1.94 -1.02 -2.45 119.30 110.58 2fe0 s MET 59 Ca 0.37 0.12 -0.07 0.00 -1.71 0.00 0.00 55.69 54.40 2fe0 s MET 59 Cb -0.13 -3.70 -0.03 0.00 2.01 0.00 0.00 34.83 32.97 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 2.30 3.09 -0.15 -0.03 3.76 -1.20 -1.23 115.29 121.83 2fe0 s HIS 60 Ca 0.19 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.65 2fe0 s HIS 60 Cb -0.16 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 2fe0 s HIS 60 CO 0.11 -0.32 0.04 0.08 -0.85 0.00 0.00 174.74 173.80 2fe0 s VAL 61 N 1.48 4.62 -0.34 -0.90 1.01 -0.90 -3.17 120.40 122.20 2fe0 s VAL 61 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2fe0 s VAL 61 Cb -0.15 -3.04 0.14 0.00 0.00 0.00 0.00 36.38 33.33 2fe0 s VAL 61 CO 0.03 0.51 0.25 -0.22 0.00 0.00 0.00 175.10 175.67 2fe0 s LEU 62 N -0.04 0.56 -0.10 3.92 2.96 -0.30 -2.53 118.68 123.14 2fe0 s LEU 62 Ca 0.05 -1.81 0.00 0.00 -0.22 0.00 0.00 54.13 52.15 2fe0 s LEU 62 Cb -0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 2fe0 s LEU 62 CO 0.01 -0.32 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.93 2fe0 s VAL 63 N 1.39 3.34 -0.09 1.68 1.01 -1.20 -0.76 120.40 125.76 2fe0 s VAL 63 Ca 0.16 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2fe0 s VAL 63 Cb -0.19 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2fe0 s VAL 63 CO -0.07 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.58 2fe0 s THR 64 N -0.16 3.33 0.33 3.92 2.01 0.51 -2.72 115.64 122.86 2fe0 s THR 64 Ca 0.01 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2fe0 s THR 64 Cb -0.13 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.95 2fe0 s THR 64 CO 0.03 0.56 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.07 2fe0 s PHE 65 N -0.26 2.42 0.52 4.92 0.40 -0.03 -1.36 117.98 124.60 2fe0 s PHE 65 Ca 0.02 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 2fe0 s PHE 65 Cb -0.13 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 2fe0 s PHE 65 CO 0.03 0.59 0.96 1.21 0.70 0.00 0.00 175.22 178.71 2fe0 s ASN 66 N -3.62 6.52 0.24 1.36 2.47 -1.26 -1.11 114.94 119.55 2fe0 s ASN 66 Ca 0.32 1.47 -0.06 0.00 0.42 0.00 0.00 52.86 55.02 2fe0 s ASN 66 Cb 0.00 -2.47 0.43 0.00 -1.45 0.00 0.00 41.25 37.76 2fe0 s ASN 66 CO 0.17 -0.62 1.68 -0.08 -3.72 0.00 0.00 177.10 174.53 2fe0 h GLU 67 N 0.69 0.24 -4.49 0.43 4.81 -1.76 -3.03 114.58 111.47 2fe0 h GLU 67 Ca -0.46 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.08 2fe0 h GLU 67 Cb 1.19 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2fe0 h GLU 67 CO 0.62 0.16 2.71 -0.25 -0.73 0.00 0.00 179.01 181.52 2fe0 n ASP 68 N -5.18 3.76 -3.47 1.04 8.00 -1.26 -4.79 116.55 114.66 2fe0 n ASP 68 Ca 0.13 -2.82 -0.07 0.00 0.71 0.00 0.00 54.79 52.75 2fe0 n ASP 68 Cb 0.44 -1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 39.89 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe0 s ASP 70 N 2.64 6.03 0.21 0.00 2.15 -1.19 -4.91 116.67 121.60 2fe0 s ASP 70 Ca 0.07 -1.94 0.06 0.00 0.43 0.00 0.00 52.55 51.17 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 -0.15 -2.01 -0.10 0.27 -0.17 0.00 0.00 175.17 173.01 2fe0 s ILE 71 N 7.17 1.49 0.11 4.11 -4.36 -1.26 0.10 121.20 128.57 2fe0 s ILE 71 Ca 0.59 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 2fe0 s ILE 71 Cb 0.01 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 2fe0 s ILE 71 CO 0.07 -0.53 0.12 2.29 0.24 0.00 0.00 174.94 177.14 2fe0 n LYS 72 N -0.39 0.17 -4.79 0.37 2.85 -0.39 -4.98 118.16 111.00 2fe0 n LYS 72 Ca -0.07 -1.05 -0.33 0.00 -1.05 0.00 0.00 58.31 55.81 2fe0 n LYS 72 Cb 0.62 0.90 -0.13 0.00 -0.65 0.00 0.00 35.03 35.77 2fe0 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2fe0 s ALA 73 N -2.29 2.74 0.00 0.58 0.00 -1.26 -3.44 121.76 118.09 2fe0 s ALA 73 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2fe0 s ALA 73 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2fe0 s ALA 73 CO 0.09 0.47 0.00 1.28 0.00 0.00 0.00 175.76 177.60 2fe0 n LEU 74 N 2.62 0.00 0.00 0.00 4.77 -0.57 -4.92 117.00 118.89 2fe0 n LEU 74 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2fe0 n LEU 74 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2fe0 n LEU 74 CO 0.27 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2fe0 n GLY 75 N 3.73 -2.77 0.00 -0.72 0.00 -1.24 -4.62 105.19 99.57 2fe0 n GLY 75 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.47 -1.68 1.61 2.85 -1.26 -4.80 118.16 115.35 2fe0 n LYS 76 Ca 0.00 0.00 -0.56 0.00 -1.05 0.00 0.00 58.31 56.70 2fe0 n LYS 76 Cb 0.00 -1.46 -0.07 0.00 -0.65 0.00 0.00 35.03 32.85 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 -0.96 0.34 -2.72 0.58 -1.04 -1.26 -4.88 114.28 104.34 2fe0 n THR 77 Ca 0.10 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.61 2fe0 n THR 77 Cb 0.05 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.18 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 3.88 4.30 -0.12 -2.82 2.20 -1.16 -4.63 119.74 121.39 2fe0 s LYS 78 Ca 0.99 1.29 0.01 0.00 -0.36 0.00 0.00 55.97 57.90 2fe0 s LYS 78 Cb -1.01 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 31.70 2fe0 s LYS 78 CO 0.63 -0.50 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.78 2fe0 s LEU 79 N 2.73 2.49 0.02 5.43 2.96 -1.26 -3.32 118.68 127.72 2fe0 s LEU 79 Ca 0.44 -0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 2fe0 s LEU 79 Cb -0.16 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.02 2fe0 s LEU 79 CO 0.10 0.15 0.38 -1.83 -1.32 0.00 0.00 176.35 173.84 2fe0 s GLU 80 N 0.40 0.84 0.11 1.98 -1.05 -1.08 -5.01 118.70 114.88 2fe0 s GLU 80 Ca -0.13 -0.28 0.05 0.00 -0.15 0.00 0.00 54.97 54.46 2fe0 s GLU 80 Cb -0.17 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2fe0 s GLU 80 CO 0.06 -0.27 0.02 -1.14 0.95 0.00 0.00 175.26 174.89 2fe0 s GLN 81 N -2.03 2.61 0.37 -4.83 0.74 -1.26 -1.73 119.66 113.52 2fe0 s GLN 81 Ca -0.08 -0.85 0.08 0.00 0.05 0.00 0.00 55.36 54.55 2fe0 s GLN 81 Cb -0.02 -2.56 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 2fe0 s GLN 81 CO 0.01 0.53 0.34 -0.65 -0.55 0.00 0.00 175.29 174.96 2fe0 s GLN 82 N -2.47 2.67 0.31 1.67 -1.52 -0.74 -4.95 119.66 114.64 2fe0 s GLN 82 Ca 0.27 -1.37 0.00 0.00 -1.95 0.00 0.00 55.36 52.31 2fe0 s GLN 82 Cb -0.11 -2.46 0.51 0.00 -0.22 0.00 0.00 33.01 30.73 2fe0 s GLN 82 CO 0.19 -0.02 1.92 1.49 -0.25 0.00 0.00 175.29 178.62 2fe0 h GLU 83 N 1.14 0.84 0.00 2.91 4.81 -2.00 -1.24 114.58 121.03 2fe0 h GLU 83 Ca -0.43 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2fe0 h GLU 83 Cb 1.26 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2fe0 h GLU 83 CO 0.57 0.65 -0.04 -2.95 -0.73 0.00 0.00 179.01 176.52 2fe0 h ASN 84 N 0.84 0.00 -0.14 1.04 -0.00 -2.05 -3.46 115.58 111.81 2fe0 h ASN 84 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 2fe0 h ASN 84 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2fe0 h ASN 84 CO -0.03 0.04 0.00 0.61 -0.00 0.00 0.00 177.43 178.05 2fe0 n GLY 85 N -1.14 0.68 2.98 9.14 0.00 -0.47 -5.01 105.19 111.37 2fe0 n GLY 85 Ca -0.03 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.50 0.47 -0.16 1.61 0.41 -1.25 -2.01 118.70 117.27 2fe0 s GLU 86 Ca 0.00 -0.29 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 2fe0 s GLU 86 Cb 0.00 -0.43 -0.05 0.00 -1.78 0.00 0.00 34.13 31.88 2fe0 s GLU 86 CO 0.00 0.11 0.20 -1.58 -0.49 0.00 0.00 175.26 173.50 2fe0 s TRP 87 N -0.33 3.47 -0.07 1.61 0.52 -0.26 -1.79 118.94 122.08 2fe0 s TRP 87 Ca 0.00 0.48 0.05 0.00 0.02 0.00 0.00 56.10 56.66 2fe0 s TRP 87 Cb -0.03 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.08 2fe0 s TRP 87 CO -0.00 0.35 -0.24 0.08 0.02 0.00 0.00 176.95 177.16 2fe0 s VAL 88 N 0.13 2.09 -0.24 4.03 1.01 -0.71 -0.85 120.40 125.87 2fe0 s VAL 88 Ca 0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2fe0 s VAL 88 Cb -0.12 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.57 2fe0 s VAL 88 CO 0.02 0.57 0.10 0.00 0.00 0.00 0.00 175.10 175.79 2fe0 s ALA 89 N -0.03 0.71 0.03 5.51 0.00 -1.10 -2.64 121.76 124.24 2fe0 s ALA 89 Ca -0.08 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2fe0 s ALA 89 Cb -0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2fe0 s ALA 89 CO 0.05 -1.45 -0.19 -1.54 0.00 0.00 0.00 175.76 172.64 2fe0 s SER 90 N 2.03 3.74 -0.23 0.00 1.04 -1.21 -3.25 113.70 115.82 2fe0 s SER 90 Ca 0.06 -0.43 -0.26 0.00 0.48 0.00 0.00 55.95 55.80 2fe0 s SER 90 Cb -0.16 -0.59 0.08 0.00 0.10 0.00 0.00 66.02 65.44 2fe0 s SER 90 CO -0.24 0.26 0.77 0.54 0.98 0.00 0.00 173.24 175.55 2fe0 s VAL 91 N -0.89 0.00 -0.16 5.02 0.11 -1.05 -2.97 120.40 120.46 2fe0 s VAL 91 Ca 0.14 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.04 0.00 0.09 -0.69 -3.33 0.00 0.00 175.10 171.21 2fe0 s VAL 92 N 0.05 5.02 -0.14 2.04 1.01 -1.26 -2.11 120.40 125.00 2fe0 s VAL 92 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2fe0 s VAL 92 Cb -0.04 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2fe0 s VAL 92 CO 0.02 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.83 2fe0 s VAL 93 N -0.12 3.24 0.37 2.92 1.01 -0.36 -5.01 120.40 122.45 2fe0 s VAL 93 Ca 0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2fe0 s VAL 93 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2fe0 s VAL 93 CO 0.01 0.52 0.64 -0.31 0.00 0.00 0.00 175.10 175.95 2fe0 s TYR 94 N 0.36 3.51 0.69 5.22 2.02 -1.26 -2.44 117.35 125.44 2fe0 s TYR 94 Ca -0.09 0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 57.11 2fe0 s TYR 94 Cb -0.16 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 2fe0 s TYR 94 CO 0.05 0.00 1.16 -2.14 -1.57 0.00 0.00 175.55 173.06 2fe0 s PRO 95 N -4.12 2.49 -1.63 -1.71 0.02 -1.26 -2.76 135.00 126.02 2fe0 s PRO 95 Ca 0.45 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.07 2fe0 s PRO 95 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2fe0 s PRO 95 CO 0.36 -1.53 0.00 0.00 -0.33 0.00 0.00 177.00 175.49 2fe0 s GLU 97 N -3.30 0.31 -0.02 0.00 2.02 -1.11 -5.09 118.70 111.50 2fe0 s GLU 97 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 54.97 54.84 2fe0 s GLU 97 Cb 0.00 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.35 2fe0 s GLU 97 CO 0.00 -0.06 -0.20 0.99 0.02 0.00 0.00 175.26 176.01 2fe0 s THR 98 N -0.81 1.56 0.12 3.63 2.01 -1.26 -3.97 115.64 116.92 2fe0 s THR 98 Ca -0.09 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2fe0 s THR 98 Cb -0.05 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2fe0 s THR 98 CO 0.01 0.44 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.67 2fe0 s GLU 99 N -0.35 0.96 0.46 4.92 0.41 -1.23 -5.04 118.70 118.82 2fe0 s GLU 99 Ca 0.05 -1.33 -0.13 0.00 -0.41 0.00 0.00 54.97 53.14 2fe0 s GLU 99 Cb -0.09 -0.54 -0.07 0.00 -1.78 0.00 0.00 34.13 31.65 2fe0 s GLU 99 CO 0.00 0.07 0.87 -1.64 -0.49 0.00 0.00 175.26 174.07 2fe0 s MET 100 N -3.42 3.86 0.00 1.61 -1.94 -1.26 -3.25 119.30 114.90 2fe0 s MET 100 Ca 0.12 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 54.80 2fe0 s MET 100 Cb 0.01 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.58 2fe0 s MET 100 CO -0.00 -0.15 0.00 0.34 -0.01 0.00 0.00 175.02 175.20 2fe0 n PHE 101 N -1.42 0.00 -4.31 -0.03 7.35 -0.34 -3.69 117.46 115.01 2fe0 n PHE 101 Ca 0.04 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.56 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 1.14 1.56 0.04 -2.13 -5.25 -1.24 -1.51 121.20 113.80 2fe0 s ILE 102 Ca 0.00 -2.14 0.01 0.00 -0.99 0.00 0.00 60.65 57.52 2fe0 s ILE 102 Cb 0.00 -1.96 -0.03 0.00 2.95 0.00 0.00 42.46 43.42 2fe0 s ILE 102 CO 0.00 -0.63 -0.05 -0.70 -1.79 0.00 0.00 174.94 171.77 2fe0 s GLU 103 N -3.62 0.49 0.00 0.37 2.12 -1.22 0.55 118.70 117.39 2fe0 s GLU 103 Ca 0.20 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2fe0 s GLU 103 Cb -0.00 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.37 2fe0 s GLU 103 CO 0.05 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2fe0 n GLY 104 N 1.06 0.71 3.80 -1.50 0.00 -0.93 -1.26 105.19 107.06 2fe0 n GLY 104 Ca -0.20 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.73 4.06 -0.03 1.61 3.52 0.29 -4.85 118.95 122.82 2fe0 s ARG 105 Ca 0.00 0.43 0.04 0.00 -0.13 0.00 0.00 55.73 56.08 2fe0 s ARG 105 Cb 0.00 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2fe0 s ARG 105 CO 0.00 0.54 -0.17 0.08 -0.81 0.00 0.00 175.30 174.94 2fe0 s VAL 106 N -0.60 1.39 -0.04 7.11 1.01 -1.26 -3.16 120.40 124.84 2fe0 s VAL 106 Ca 0.24 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2fe0 s VAL 106 Cb -0.16 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2fe0 s VAL 106 CO 0.13 0.40 0.06 0.54 0.00 0.00 0.00 175.10 176.22 2fe0 s ASN 107 N -0.06 0.95 -0.06 3.32 2.20 -1.26 -5.00 114.94 115.02 2fe0 s ASN 107 Ca -0.01 0.07 -0.03 0.00 -0.94 0.00 0.00 52.86 51.95 2fe0 s ASN 107 Cb -0.10 -0.13 0.01 0.00 -2.00 0.00 0.00 41.25 39.03 2fe0 s ASN 107 CO 0.01 -0.23 0.06 0.61 -2.94 0.00 0.00 177.10 174.61 2fe0 n GLY 108 N 5.11 -1.43 3.10 0.45 0.00 -1.26 -4.58 105.19 106.57 2fe0 n GLY 108 Ca -0.07 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.40 0.67 -0.21 1.61 -0.71 -1.26 -4.29 117.98 113.40 2fe0 s PHE 109 Ca -0.07 -0.77 -0.06 0.00 -1.04 0.00 0.00 56.93 54.99 2fe0 s PHE 109 Cb 0.00 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 2fe0 s PHE 109 CO 0.22 -0.18 0.04 0.21 -1.34 0.00 0.00 175.22 174.17 2fe0 s LYS 110 N -2.85 3.74 -0.10 1.99 2.20 -0.47 -4.98 119.74 119.27 2fe0 s LYS 110 Ca 0.01 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2fe0 s LYS 110 Cb -0.01 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2fe0 s LYS 110 CO -0.04 0.04 -0.04 -1.12 -0.36 0.00 0.00 175.35 173.83 2fe0 s SER 111 N 0.96 4.83 -0.09 1.43 0.01 -1.26 -0.36 113.70 119.22 2fe0 s SER 111 Ca 0.03 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 2fe0 s SER 111 Cb -0.14 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.70 2fe0 s SER 111 CO 0.02 0.31 0.02 -0.75 0.41 0.00 0.00 173.24 173.26 2fe0 s LYS 112 N -0.47 0.44 0.37 12.44 2.20 0.06 -4.99 119.74 129.79 2fe0 s LYS 112 Ca 0.07 0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 2fe0 s LYS 112 Cb -0.12 -1.07 -0.06 0.00 -1.51 0.00 0.00 37.83 35.07 2fe0 s LYS 112 CO 0.02 -0.37 0.04 -1.64 -0.36 0.00 0.00 175.35 173.04 2fe0 s MET 113 N 2.01 1.81 0.18 4.03 -1.94 -1.26 -1.15 119.30 122.97 2fe0 s MET 113 Ca 0.04 -2.03 -0.24 0.00 -1.71 0.00 0.00 55.69 51.75 2fe0 s MET 113 Cb -0.13 -1.15 0.07 0.00 2.01 0.00 0.00 34.83 35.63 2fe0 s MET 113 CO -0.05 -0.17 0.97 0.34 -0.01 0.00 0.00 175.02 176.09 2fe0 s ASP 114 N -3.59 -0.12 -0.52 3.03 2.15 -1.19 -5.03 116.67 111.38 2fe0 s ASP 114 Ca 0.33 -0.52 0.04 0.00 0.43 0.00 0.00 52.55 52.83 2fe0 s ASP 114 Cb 0.08 0.51 0.14 0.00 -0.30 0.00 0.00 42.92 43.36 2fe0 s ASP 114 CO 0.15 -0.97 0.30 0.00 -0.17 0.00 0.00 175.17 174.49 2fe0 s ALA 115 N -2.97 2.92 0.32 3.66 0.00 -1.26 -3.27 121.76 121.17 2fe0 s ALA 115 Ca 0.15 -3.12 -0.14 0.00 0.00 0.00 0.00 51.96 48.85 2fe0 s ALA 115 Cb -0.02 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 2fe0 s ALA 115 CO 0.04 -2.05 0.72 -0.51 0.00 0.00 0.00 175.76 173.96 2fe0 s LEU 116 N -0.30 4.04 0.52 0.00 1.43 -1.03 -4.85 118.68 118.50 2fe0 s LEU 116 Ca 0.20 1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 54.31 2fe0 s LEU 116 Cb -0.19 -4.02 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 2fe0 s LEU 116 CO -0.04 -0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.27 2fe0 s PRO 117 N -3.08 3.52 -0.13 1.29 0.04 -1.26 0.73 135.00 136.10 2fe0 s PRO 117 Ca 0.53 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 2fe0 s PRO 117 Cb -0.10 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2fe0 s PRO 117 CO 0.20 -0.70 1.42 -0.51 0.04 0.00 0.00 177.00 177.45 2fe0 s LEU 118 N -3.61 4.22 0.00 -3.56 1.43 -1.22 -4.60 118.68 111.33 2fe0 s LEU 118 Ca 0.70 1.88 -0.06 0.00 -1.03 0.00 0.00 54.13 55.62 2fe0 s LEU 118 Cb -0.23 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.60 2fe0 s LEU 118 CO 0.26 -0.85 0.87 -1.20 0.23 0.00 0.00 176.35 175.67 2fe0 n SER 119 N 6.90 0.59 0.28 2.29 7.64 -1.26 -4.91 113.62 125.14 2fe0 n SER 119 Ca 0.15 -1.63 0.14 0.00 1.01 0.00 0.00 58.87 58.55 2fe0 n SER 119 Cb 0.44 -0.62 0.87 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.00 -0.85 1.43 4.11 -2.00 -1.54 114.58 115.74 2fe0 h GLU 120 Ca -0.29 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.18 2fe0 h GLU 120 Cb 0.91 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 2fe0 h GLU 120 CO 0.25 0.00 0.55 0.93 0.07 0.00 0.00 179.01 180.81 2fe0 h GLU 121 N 0.00 1.03 -0.53 1.06 5.08 -2.00 -1.96 114.58 117.27 2fe0 h GLU 121 Ca 0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2fe0 h GLU 121 Cb 0.08 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2fe0 h GLU 121 CO -0.00 0.68 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.73 2fe0 h TYR 122 N 1.06 1.06 -1.01 4.33 3.20 -1.63 -2.02 116.97 121.98 2fe0 h TYR 122 Ca 0.34 -0.20 0.09 0.00 3.14 0.00 0.00 58.73 62.10 2fe0 h TYR 122 Cb -0.00 -0.27 -0.08 0.00 1.54 0.00 0.00 36.73 37.92 2fe0 h TYR 122 CO -0.02 0.98 0.64 0.00 -1.64 0.00 0.00 178.16 178.12 2fe0 h ARG 123 N 0.84 1.05 -0.17 1.82 3.08 -1.31 -0.59 114.38 119.10 2fe0 h ARG 123 Ca 0.14 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 2fe0 h ARG 123 Cb 0.59 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2fe0 h ARG 123 CO 0.04 0.70 -0.54 0.37 -1.07 0.00 0.00 179.97 179.46 2fe0 h GLN 124 N 1.09 0.49 -0.00 0.04 5.75 -1.14 -2.86 115.11 118.47 2fe0 h GLN 124 Ca 0.47 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2fe0 h GLN 124 Cb 0.33 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 2fe0 h GLN 124 CO -0.22 0.91 0.00 1.25 -2.65 0.00 0.00 178.83 178.12 2fe0 h HIS 125 N 0.38 0.00 -0.36 3.99 2.76 -0.38 -0.81 115.15 120.73 2fe0 h HIS 125 Ca 0.01 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2fe0 h HIS 125 Cb 1.07 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 2fe0 h HIS 125 CO 0.04 0.00 0.07 1.96 -1.30 0.00 0.00 177.93 178.70 2fe0 h GLN 126 N 0.00 0.54 0.46 5.26 4.20 -1.17 0.72 115.11 125.12 2fe0 h GLN 126 Ca 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2fe0 h GLN 126 Cb 0.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2fe0 h GLN 126 CO -0.00 0.51 -0.22 0.00 -0.67 0.00 0.00 178.83 178.45 2fe0 h ALA 127 N 1.56 -0.73 0.00 3.87 0.00 -1.26 -3.05 119.26 119.65 2fe0 h ALA 127 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fe0 h ALA 127 Cb 0.23 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2fe0 h ALA 127 CO -0.00 -0.69 0.00 -0.85 0.00 0.00 0.00 179.25 177.71 2fe0 n GLU 128 N -4.65 0.13 -0.29 0.00 -0.00 -1.19 -2.65 120.64 111.99 2fe0 n GLU 128 Ca -0.08 0.56 0.12 0.00 -0.00 0.00 0.00 57.16 57.77 2fe0 n GLU 128 Cb 0.25 -1.87 0.29 0.00 -0.00 0.00 0.00 31.44 30.10 2fe0 n GLU 128 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2fe0 h LYS 129 N 0.00 0.27 -6.44 3.44 3.64 -0.73 -3.41 116.57 113.35 2fe0 h LYS 129 Ca 0.00 -0.02 -0.43 0.00 -1.27 0.00 0.00 60.65 58.94 2fe0 h LYS 129 Cb 0.09 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2fe0 h LYS 129 CO 0.00 0.18 -0.26 0.16 -2.27 0.00 0.00 179.45 177.26 2fe0 s ASP 130 N -5.13 5.61 0.00 4.20 1.47 -1.08 -5.10 116.67 116.64 2fe0 s ASP 130 Ca -0.12 -0.45 0.00 0.00 1.18 0.00 0.00 52.55 53.16 2fe0 s ASP 130 Cb 0.25 -0.62 0.00 0.00 -0.34 0.00 0.00 42.92 42.21 2fe0 s ASP 130 CO 0.77 -0.78 0.00 0.29 0.68 0.00 0.00 175.17 176.14