#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 0.98 3.67 3.03 0.00 -1.26 -5.11 105.19 106.51 2fe0 n GLY 2 Ca 0.00 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 3.70 -0.69 3.23 0.00 0.00 -1.26 -5.12 105.19 105.05 2fe0 n GLY 4 Ca -0.01 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.67 -0.70 -2.09 4.61 0.00 -1.26 -5.02 121.76 113.63 2fe0 s ALA 5 Ca 0.42 0.18 0.18 0.00 0.00 0.00 0.00 51.96 52.74 2fe0 s ALA 5 Cb -0.01 0.15 0.91 0.00 0.00 0.00 0.00 23.12 24.16 2fe0 s ALA 5 CO 0.29 -0.30 1.60 0.43 0.00 0.00 0.00 175.76 177.78 2fe0 n SER 6 N 1.08 0.57 0.26 0.00 7.64 -1.26 -3.75 113.62 118.16 2fe0 n SER 6 Ca -0.21 -1.56 0.09 0.00 1.01 0.00 0.00 58.87 58.20 2fe0 n SER 6 Cb 0.57 -0.04 0.67 0.00 -1.01 0.00 0.00 64.21 64.40 2fe0 n SER 6 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2fe0 h SER 7 N 0.75 0.00 -3.77 6.43 4.64 -2.05 -3.43 113.55 116.12 2fe0 h SER 7 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2fe0 h SER 7 Cb 0.16 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.37 2fe0 h SER 7 CO 0.00 0.07 0.68 -0.62 -0.87 0.00 0.00 176.83 176.09 2fe0 n GLU 8 N -4.20 2.40 -4.81 4.77 -0.58 -1.25 -5.00 120.64 111.98 2fe0 n GLU 8 Ca -0.03 0.85 -0.33 0.00 -0.42 0.00 0.00 57.16 57.23 2fe0 n GLU 8 Cb 0.16 -2.57 -0.14 0.00 -0.57 0.00 0.00 31.44 28.32 2fe0 n GLU 8 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2fe0 s ASN 9 N -0.28 4.05 0.21 1.62 0.01 -1.26 -5.02 114.94 114.27 2fe0 s ASN 9 Ca 0.56 -0.27 -0.10 0.00 -0.71 0.00 0.00 52.86 52.34 2fe0 s ASN 9 Cb -0.49 -1.33 0.20 0.00 0.41 0.00 0.00 41.25 40.03 2fe0 s ASN 9 CO 0.62 0.23 1.84 -1.28 -1.51 0.00 0.00 177.10 177.00 2fe0 h SER 10 N 6.18 0.70 0.00 -1.22 0.87 -1.97 -3.46 113.55 114.65 2fe0 h SER 10 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2fe0 h SER 10 Cb 1.19 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2fe0 h SER 10 CO 0.54 0.48 0.00 -1.20 -0.53 0.00 0.00 176.83 176.12 2fe0 n SER 11 N -4.68 0.00 -3.80 6.23 7.64 -1.26 -4.69 113.62 113.05 2fe0 n SER 11 Ca 0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 2fe0 n SER 11 Cb 0.10 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.00 -0.03 -0.08 0.44 1.01 -1.26 -5.05 120.40 115.43 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 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2fe0 s VAL 12 CO 0.00 0.04 -0.20 -0.89 0.00 0.00 0.00 175.10 174.05 2fe0 s THR 13 N 0.56 1.72 0.48 3.92 2.01 -1.26 -5.14 115.64 117.92 2fe0 s THR 13 Ca -0.04 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.21 2fe0 s THR 13 Cb -0.06 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.97 2fe0 s THR 13 CO -0.02 0.49 0.57 -0.31 -0.69 0.00 0.00 174.62 174.66 2fe0 s TYR 14 N 0.38 2.27 0.26 4.92 2.02 -1.26 -4.86 117.35 121.07 2fe0 s TYR 14 Ca -0.15 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 2fe0 s TYR 14 Cb -0.16 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.16 2fe0 s TYR 14 CO 0.06 -0.57 0.00 1.55 -1.57 0.00 0.00 175.55 175.03 2fe0 n VAL 15 N -1.88 0.00 0.23 0.71 3.14 -1.26 -4.89 118.33 114.38 2fe0 n VAL 15 Ca 0.08 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.54 2fe0 n VAL 15 Cb 0.61 -0.33 0.57 0.00 -1.06 0.00 0.00 33.84 33.63 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 -3.47 115.58 119.04 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 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.58 2fe0 n GLY 17 N -0.71 1.33 3.90 2.83 0.00 -1.26 -4.98 105.19 106.30 2fe0 n GLY 17 Ca -0.02 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 3.59 0.20 1.61 1.81 -1.26 -4.82 118.95 118.08 2fe0 s ARG 18 Ca 0.00 -0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 53.56 2fe0 s ARG 18 Cb 0.00 -2.86 -0.08 0.00 -0.45 0.00 0.00 34.95 31.56 2fe0 s ARG 18 CO 0.00 0.46 1.07 -1.25 -0.68 0.00 0.00 175.30 174.90 2fe0 s PRO 19 N -2.78 4.64 0.00 3.54 0.04 -1.26 -4.93 135.00 134.26 2fe0 s PRO 19 Ca 0.40 1.69 0.31 0.00 0.04 0.00 0.00 61.00 63.44 2fe0 s PRO 19 Cb -0.12 -3.26 1.80 0.00 0.04 0.00 0.00 34.50 32.95 2fe0 s PRO 19 CO 0.26 0.17 2.16 -2.37 0.04 0.00 0.00 177.00 177.26 2fe0 n THR 20 N 2.03 0.00 -4.58 1.26 5.66 -1.26 -4.73 114.28 112.66 2fe0 n THR 20 Ca 0.01 -0.01 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 2fe0 n THR 20 Cb 0.46 -0.43 -0.16 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.00 1.29 -0.05 1.09 5.36 -1.26 -5.13 117.98 117.28 2fe0 s PHE 21 Ca 0.46 -0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.06 2fe0 s PHE 21 Cb 0.21 -0.90 0.03 0.00 -0.34 0.00 0.00 43.02 42.02 2fe0 s PHE 21 CO 0.36 -0.14 -0.00 0.08 -1.46 0.00 0.00 175.22 174.05 2fe0 s VAL 22 N 0.19 0.27 0.00 3.12 1.01 -1.26 -5.05 120.40 118.68 2fe0 s VAL 22 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2fe0 s VAL 22 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2fe0 s VAL 22 CO 0.01 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2fe0 n GLY 23 N 4.57 0.58 2.07 4.51 0.00 -1.26 -4.93 105.19 110.73 2fe0 n GLY 23 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.99 1.61 4.07 0.66 -4.86 120.64 119.13 2fe0 n GLU 24 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 2fe0 n GLU 24 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 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 3.24 -0.05 5.31 2.12 -1.08 -4.96 118.70 121.29 2fe0 s GLU 25 Ca 0.00 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.79 2fe0 s GLU 25 Cb 0.00 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 2fe0 s GLU 25 CO 0.00 -1.34 0.03 0.08 -0.54 0.00 0.00 175.26 173.49 2fe0 s VAL 26 N 3.33 4.50 0.24 3.70 1.01 -1.26 -2.46 120.40 129.46 2fe0 s VAL 26 Ca 0.24 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2fe0 s VAL 26 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2fe0 s VAL 26 CO 0.16 0.50 0.32 0.42 0.00 0.00 0.00 175.10 176.50 2fe0 s THR 27 N -1.02 0.00 -0.26 3.92 -4.23 -0.15 -4.96 115.64 108.95 2fe0 s THR 27 Ca 0.17 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2fe0 s THR 27 Cb -0.12 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.41 2fe0 s THR 27 CO 0.07 0.00 0.07 -1.59 -0.54 0.00 0.00 174.62 172.63 2fe0 s LYS 28 N -3.93 0.64 0.01 3.99 -2.85 -1.26 0.11 119.74 116.45 2fe0 s LYS 28 Ca 0.31 -0.73 -0.01 0.00 -1.00 0.00 0.00 55.97 54.54 2fe0 s LYS 28 Cb 0.03 -1.94 -0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2fe0 s LYS 28 CO 0.13 -0.84 1.02 0.78 0.10 0.00 0.00 175.35 176.54 2fe0 h GLY 29 N 8.19 -2.58 -5.81 0.59 0.00 -1.76 -3.34 103.07 98.36 2fe0 h GLY 29 Ca -0.16 1.12 -0.59 0.00 0.00 0.00 0.00 47.33 47.71 2fe0 h GLY 29 CO 0.41 -0.97 0.65 -1.36 0.00 0.00 0.00 176.54 175.27 2fe0 s PHE 30 N -3.10 3.21 0.32 5.60 0.08 -1.26 -4.91 117.98 117.91 2fe0 s PHE 30 Ca -0.00 1.10 0.10 0.00 0.12 0.00 0.00 56.93 58.24 2fe0 s PHE 30 Cb 0.00 -3.42 0.53 0.00 -0.57 0.00 0.00 43.02 39.57 2fe0 s PHE 30 CO 0.02 -0.63 1.72 0.93 -0.10 0.00 0.00 175.22 177.17 2fe0 h GLU 31 N 7.98 0.07 -7.17 0.44 5.08 -1.87 -3.40 114.58 115.71 2fe0 h GLU 31 Ca -0.22 -0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.58 2fe0 h GLU 31 Cb 1.08 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.52 2fe0 h GLU 31 CO 0.96 0.52 0.12 1.17 -1.00 0.00 0.00 179.01 180.78 2fe0 n LYS 32 N -3.99 -0.29 -0.41 2.33 4.81 -1.26 -4.64 118.16 114.71 2fe0 n LYS 32 Ca -0.02 -0.02 0.06 0.00 -0.87 0.00 0.00 58.31 57.46 2fe0 n LYS 32 Cb 0.49 -2.31 -0.01 0.00 0.02 0.00 0.00 35.03 33.22 2fe0 n LYS 32 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2fe0 n ASP 33 N -3.55 -5.31 -0.14 3.14 8.00 -1.26 -3.26 116.55 114.16 2fe0 n ASP 33 Ca 0.12 0.44 0.18 0.00 0.71 0.00 0.00 54.79 56.24 2fe0 n ASP 33 Cb 0.52 -1.29 0.56 0.00 -0.02 0.00 0.00 41.12 40.89 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2fe0 h ASN 34 N -0.38 0.28 0.00 -2.24 -0.26 -1.93 -3.44 115.58 107.61 2fe0 h ASN 34 Ca 0.01 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2fe0 h ASN 34 Cb 0.38 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2fe0 h ASN 34 CO 0.00 0.14 0.00 0.61 -1.06 0.00 0.00 177.43 177.12 2fe0 n GLY 35 N -1.56 0.47 5.02 2.83 0.00 -1.20 -4.80 105.19 105.95 2fe0 n GLY 35 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.42 0.99 4.77 -1.26 -4.20 117.00 112.88 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 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2fe0 n LEU 36 CO 0.00 0.00 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.48 2fe0 s LEU 37 N 0.00 3.11 -0.18 2.23 2.96 -1.26 -3.39 118.68 122.14 2fe0 s LEU 37 Ca 0.00 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2fe0 s LEU 37 Cb 0.00 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2fe0 s LEU 37 CO 0.00 0.08 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.70 2fe0 s PHE 38 N 0.90 2.97 -0.34 5.38 0.08 -1.25 -2.68 117.98 123.04 2fe0 s PHE 38 Ca -0.00 -0.54 -0.20 0.00 0.12 0.00 0.00 56.93 56.31 2fe0 s PHE 38 Cb -0.15 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2fe0 s PHE 38 CO 0.01 -0.23 0.64 0.50 -0.10 0.00 0.00 175.22 176.05 2fe0 s ARG 39 N 0.75 3.75 -0.14 0.44 3.52 0.30 -3.40 118.95 124.17 2fe0 s ARG 39 Ca -0.02 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 2fe0 s ARG 39 Cb -0.15 -3.78 -0.03 0.00 -1.56 0.00 0.00 34.95 29.43 2fe0 s ARG 39 CO 0.02 -0.69 0.00 0.42 -0.81 0.00 0.00 175.30 174.24 2fe0 s ILE 40 N 2.69 4.29 -0.05 4.11 1.01 0.10 -0.97 121.20 132.38 2fe0 s ILE 40 Ca 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2fe0 s ILE 40 Cb -0.15 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.48 2fe0 s ILE 40 CO 0.14 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.87 2fe0 s VAL 41 N -0.07 0.54 -0.45 2.92 1.01 -1.03 -0.50 120.40 122.82 2fe0 s VAL 41 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 2fe0 s VAL 41 Cb -0.13 -0.58 0.12 0.00 0.00 0.00 0.00 36.38 35.79 2fe0 s VAL 41 CO 0.02 0.23 0.30 0.21 0.00 0.00 0.00 175.10 175.86 2fe0 s ASN 42 N 1.06 5.56 0.49 3.32 3.04 -1.08 -0.25 114.94 127.08 2fe0 s ASN 42 Ca -0.09 -1.93 0.21 0.00 0.04 0.00 0.00 52.86 51.09 2fe0 s ASN 42 Cb -0.14 -1.95 1.25 0.00 -1.54 0.00 0.00 41.25 38.87 2fe0 s ASN 42 CO -0.01 -0.64 1.96 0.11 -3.04 0.00 0.00 177.10 175.48 2fe0 h LYS 43 N 8.33 0.17 -0.14 0.43 1.57 -1.91 3.85 116.57 128.88 2fe0 h LYS 43 Ca -0.19 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2fe0 h LYS 43 Cb 1.07 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 2fe0 h LYS 43 CO 0.81 0.11 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.49 2fe0 h LYS 44 N 0.18 -0.09 -0.01 3.15 3.64 -1.97 -3.00 116.57 118.46 2fe0 h LYS 44 Ca 0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2fe0 h LYS 44 Cb 0.96 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2fe0 h LYS 44 CO -0.05 -0.06 -0.20 1.63 -2.27 0.00 0.00 179.45 178.50 2fe0 n LYS 45 N -5.24 1.56 -2.04 1.90 5.02 -0.58 -4.96 118.16 113.82 2fe0 n LYS 45 Ca -0.03 -0.99 -0.15 0.00 -2.02 0.00 0.00 58.31 55.12 2fe0 n LYS 45 Cb 0.16 -1.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.19 -1.78 -3.69 1.97 4.76 1.26 -4.50 118.16 116.38 2fe0 n LYS 46 Ca 0.07 0.77 -0.35 0.00 -2.87 0.00 0.00 58.31 55.93 2fe0 n LYS 46 Cb 0.34 -5.26 -0.08 0.00 -1.84 0.00 0.00 35.03 28.19 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 -4.35 4.21 0.32 1.97 -2.07 -1.16 -2.04 119.66 116.54 2fe0 s GLN 47 Ca 0.00 -0.15 -0.12 0.00 -1.82 0.00 0.00 55.36 53.27 2fe0 s GLN 47 Cb 0.00 -3.42 -0.08 0.00 -1.09 0.00 0.00 33.01 28.42 2fe0 s GLN 47 CO 0.00 0.28 0.70 -1.58 -1.32 0.00 0.00 175.29 173.37 2fe0 s TRP 48 N 0.39 3.41 -0.03 9.60 0.52 0.20 -2.62 118.94 130.40 2fe0 s TRP 48 Ca 0.10 1.08 -0.12 0.00 0.02 0.00 0.00 56.10 57.18 2fe0 s TRP 48 Cb -0.11 -2.44 0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2fe0 s TRP 48 CO -0.01 0.09 0.27 0.00 0.02 0.00 0.00 176.95 177.33 2fe0 s ALA 49 N -2.03 -0.68 -0.00 0.98 0.00 0.35 -1.98 121.76 118.39 2fe0 s ALA 49 Ca 0.52 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.90 2fe0 s ALA 49 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2fe0 s ALA 49 CO 0.22 -0.22 -0.19 0.71 0.00 0.00 0.00 175.76 176.27 2fe0 s TYR 50 N -0.98 1.71 -0.19 0.00 2.02 -1.23 -0.72 117.35 117.96 2fe0 s TYR 50 Ca -0.11 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 2fe0 s TYR 50 Cb -0.05 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2fe0 s TYR 50 CO 0.03 -0.01 -0.12 -0.47 -1.57 0.00 0.00 175.55 173.42 2fe0 s TYR 51 N -0.52 2.39 -0.04 2.71 5.04 -1.22 -3.76 117.35 121.95 2fe0 s TYR 51 Ca 0.07 -1.53 -0.23 0.00 -2.44 0.00 0.00 57.07 52.95 2fe0 s TYR 51 Cb -0.08 -1.65 -0.04 0.00 0.35 0.00 0.00 41.96 40.55 2fe0 s TYR 51 CO -0.00 -0.73 0.67 1.21 -1.34 0.00 0.00 175.55 175.36 2fe0 s ASN 52 N 1.41 6.99 -0.14 4.32 3.84 -1.25 -3.74 114.94 126.36 2fe0 s ASN 52 Ca 0.00 1.19 0.06 0.00 0.21 0.00 0.00 52.86 54.32 2fe0 s ASN 52 Cb -0.15 -2.40 -0.13 0.00 -0.55 0.00 0.00 41.25 38.02 2fe0 s ASN 52 CO -0.09 -0.05 -0.06 -0.90 -2.79 0.00 0.00 177.10 173.22 2fe0 n ASP 53 N 3.43 2.38 -4.65 -4.21 5.68 -1.22 -3.23 116.55 114.73 2fe0 n ASP 53 Ca -0.03 -0.05 -0.44 0.00 -0.50 0.00 0.00 54.79 53.77 2fe0 n ASP 53 Cb 0.51 0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 40.68 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2fe0 n THR 54 N -2.74 0.63 1.44 2.12 -2.24 -1.26 -4.63 114.28 107.60 2fe0 n THR 54 Ca -0.25 -0.18 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2fe0 n THR 54 Cb 0.85 -2.20 0.49 0.00 -2.10 0.00 0.00 70.33 67.37 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 5.84 0.03 -0.10 4.28 -2.24 -1.26 -4.11 114.28 116.71 2fe0 n THR 55 Ca 0.23 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 2fe0 n THR 55 Cb 0.37 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 69.05 2fe0 n THR 55 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2fe0 n GLN 56 N 0.26 0.48 -4.25 -0.78 7.27 -1.26 -5.01 117.38 114.09 2fe0 n GLN 56 Ca 0.18 0.16 -0.28 0.00 0.07 0.00 0.00 57.00 57.13 2fe0 n GLN 56 Cb 0.37 -1.34 -0.10 0.00 2.41 0.00 0.00 30.24 31.58 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2fe0 s TYR 57 N -2.40 2.70 0.16 3.69 2.02 -1.26 -3.01 117.35 119.25 2fe0 s TYR 57 Ca -0.29 -0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 2fe0 s TYR 57 Cb 0.09 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 40.21 2fe0 s TYR 57 CO 0.43 0.46 0.49 -1.83 -1.57 0.00 0.00 175.55 173.52 2fe0 s GLU 58 N -2.48 3.81 -0.23 -0.62 -1.05 0.27 -4.60 118.70 113.79 2fe0 s GLU 58 Ca 0.23 0.25 -0.17 0.00 -0.15 0.00 0.00 54.97 55.12 2fe0 s GLU 58 Cb -0.10 -2.83 -0.03 0.00 -0.44 0.00 0.00 34.13 30.73 2fe0 s GLU 58 CO 0.14 0.44 0.47 -1.64 0.95 0.00 0.00 175.26 175.62 2fe0 s MET 59 N -2.37 4.13 -0.14 -4.83 -1.94 -1.05 -2.45 119.30 110.65 2fe0 s MET 59 Ca 0.41 0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 54.65 2fe0 s MET 59 Cb -0.13 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.09 2fe0 s MET 59 CO 0.20 -0.20 -0.05 -1.01 -0.01 0.00 0.00 175.02 173.95 2fe0 s HIS 60 N 1.81 2.99 -0.11 -0.03 3.76 -1.13 -1.41 115.29 121.17 2fe0 s HIS 60 Ca 0.21 -0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2fe0 s HIS 60 Cb -0.15 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 2fe0 s HIS 60 CO 0.09 -0.00 -0.11 0.08 -0.85 0.00 0.00 174.74 173.95 2fe0 s VAL 61 N 0.18 3.29 -0.33 -0.90 1.01 -0.81 -3.00 120.40 119.84 2fe0 s VAL 61 Ca -0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 2fe0 s VAL 61 Cb -0.14 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 34.00 2fe0 s VAL 61 CO 0.03 0.54 0.24 -0.22 0.00 0.00 0.00 175.10 175.69 2fe0 s LEU 62 N 0.02 0.51 -0.10 3.92 2.96 -0.35 -2.56 118.68 123.08 2fe0 s LEU 62 Ca -0.03 -1.70 0.01 0.00 -0.22 0.00 0.00 54.13 52.20 2fe0 s LEU 62 Cb -0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.45 2fe0 s LEU 62 CO 0.04 -0.34 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.90 2fe0 s VAL 63 N 1.52 3.04 -0.10 1.68 1.01 -1.20 -0.72 120.40 125.64 2fe0 s VAL 63 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2fe0 s VAL 63 Cb -0.19 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2fe0 s VAL 63 CO -0.12 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.54 2fe0 s THR 64 N -0.03 3.44 0.34 3.92 2.01 0.91 -2.56 115.64 123.67 2fe0 s THR 64 Ca -0.03 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.51 2fe0 s THR 64 Cb -0.14 -2.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 2fe0 s THR 64 CO 0.04 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.11 2fe0 s PHE 65 N -0.24 2.45 0.49 4.92 0.40 0.82 -0.66 117.98 126.17 2fe0 s PHE 65 Ca 0.02 -0.48 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 2fe0 s PHE 65 Cb -0.13 -1.42 -0.07 0.00 0.51 0.00 0.00 43.02 41.92 2fe0 s PHE 65 CO 0.03 0.55 0.90 1.21 0.70 0.00 0.00 175.22 178.61 2fe0 s ASN 66 N -3.65 6.51 0.23 1.36 2.47 -1.25 -0.39 114.94 120.22 2fe0 s ASN 66 Ca 0.33 1.35 -0.09 0.00 0.42 0.00 0.00 52.86 54.87 2fe0 s ASN 66 Cb 0.02 -2.42 0.37 0.00 -1.45 0.00 0.00 41.25 37.77 2fe0 s ASN 66 CO 0.17 -0.56 1.66 -0.08 -3.72 0.00 0.00 177.10 174.58 2fe0 h GLU 67 N 0.83 0.14 -4.57 0.43 4.81 -1.74 -3.02 114.58 111.44 2fe0 h GLU 67 Ca -0.47 -0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.11 2fe0 h GLU 67 Cb 1.19 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2fe0 h GLU 67 CO 0.62 0.09 2.52 -3.47 -0.73 0.00 0.00 179.01 178.05 2fe0 n ASP 68 N -5.28 3.51 -3.44 1.04 2.03 -1.26 -4.77 116.55 108.37 2fe0 n ASP 68 Ca 0.11 -2.79 -0.05 0.00 0.52 0.00 0.00 54.79 52.58 2fe0 n ASP 68 Cb 0.41 -1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 39.24 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 5.91 0.14 0.00 2.15 -1.21 -4.90 116.67 121.44 2fe0 s ASP 70 Ca 0.08 -1.87 0.05 0.00 0.43 0.00 0.00 52.55 51.23 2fe0 s ASP 70 Cb -0.14 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2fe0 s ASP 70 CO -0.16 -2.13 -0.11 0.27 -0.17 0.00 0.00 175.17 172.88 2fe0 s ILE 71 N 7.60 1.20 0.02 4.11 -4.36 -1.26 0.13 121.20 128.64 2fe0 s ILE 71 Ca 0.60 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 2fe0 s ILE 71 Cb 0.01 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 2fe0 s ILE 71 CO 0.08 -0.70 0.02 2.29 0.24 0.00 0.00 174.94 176.87 2fe0 n LYS 72 N -0.09 0.03 -4.75 0.37 2.85 -0.45 -4.99 118.16 111.14 2fe0 n LYS 72 Ca -0.11 -0.20 -0.33 0.00 -1.05 0.00 0.00 58.31 56.62 2fe0 n LYS 72 Cb 0.60 0.17 -0.12 0.00 -0.65 0.00 0.00 35.03 35.03 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 -1.96 2.81 0.00 0.58 0.00 -1.26 -3.36 121.76 118.57 2fe0 s ALA 73 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2fe0 s ALA 73 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.04 2fe0 s ALA 73 CO 0.02 0.57 0.00 1.28 0.00 0.00 0.00 175.76 177.62 2fe0 n LEU 74 N 2.21 0.00 0.00 0.00 4.77 -0.54 -4.91 117.00 118.53 2fe0 n LEU 74 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 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 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2fe0 n GLY 75 N 4.06 -3.27 0.00 -0.72 0.00 -1.25 -4.59 105.19 99.42 2fe0 n GLY 75 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 0.13 -1.57 1.61 2.85 -1.26 -4.77 118.16 115.16 2fe0 n LYS 76 Ca 0.00 0.18 -0.58 0.00 -1.05 0.00 0.00 58.31 56.86 2fe0 n LYS 76 Cb 0.00 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 32.79 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 -1.25 0.17 -2.82 0.58 -1.04 -1.26 -4.87 114.28 103.79 2fe0 n THR 77 Ca 0.04 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 2fe0 n THR 77 Cb 0.06 -1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 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 4.53 4.27 -0.12 -2.82 2.47 -1.18 -4.55 119.74 122.35 2fe0 s LYS 78 Ca 1.06 1.12 0.01 0.00 -1.56 0.00 0.00 55.97 56.60 2fe0 s LYS 78 Cb -1.19 -3.60 -0.01 0.00 -1.46 0.00 0.00 37.83 31.57 2fe0 s LYS 78 CO 0.65 -0.44 -0.15 -1.17 0.16 0.00 0.00 175.35 174.40 2fe0 s LEU 79 N 2.54 2.62 0.01 5.43 2.96 -1.26 -3.31 118.68 127.67 2fe0 s LEU 79 Ca 0.40 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 2fe0 s LEU 79 Cb -0.16 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 44.98 2fe0 s LEU 79 CO 0.10 0.17 0.39 -1.83 -1.32 0.00 0.00 176.35 173.86 2fe0 s GLU 80 N 0.33 0.83 0.10 1.98 -1.05 -1.06 -5.01 118.70 114.83 2fe0 s GLU 80 Ca -0.12 -0.26 0.03 0.00 -0.15 0.00 0.00 54.97 54.47 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 0.06 -0.26 0.11 -1.14 0.95 0.00 0.00 175.26 174.98 2fe0 s GLN 81 N -1.96 2.95 0.48 -4.83 0.74 -1.26 -1.67 119.66 114.11 2fe0 s GLN 81 Ca -0.09 -0.71 0.08 0.00 0.05 0.00 0.00 55.36 54.70 2fe0 s GLN 81 Cb -0.02 -2.74 0.04 0.00 1.10 0.00 0.00 33.01 31.38 2fe0 s GLN 81 CO 0.01 0.55 0.63 -0.65 -0.55 0.00 0.00 175.29 175.28 2fe0 s GLN 82 N -2.60 2.60 0.23 1.67 -1.52 -0.25 -4.95 119.66 114.83 2fe0 s GLN 82 Ca 0.30 -1.44 0.03 0.00 -1.95 0.00 0.00 55.36 52.30 2fe0 s GLN 82 Cb -0.12 -2.66 0.24 0.00 -0.22 0.00 0.00 33.01 30.25 2fe0 s GLN 82 CO 0.23 -0.49 1.56 1.05 -0.25 0.00 0.00 175.29 177.40 2fe0 h GLU 83 N 0.51 0.33 0.00 2.91 4.11 -2.00 -2.83 114.58 117.60 2fe0 h GLU 83 Ca -0.36 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 58.83 2fe0 h GLU 83 Cb 1.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2fe0 h GLU 83 CO 0.45 0.80 -0.12 -2.95 0.07 0.00 0.00 179.01 177.26 2fe0 h ASN 84 N 0.25 0.00 0.00 3.06 -0.00 -2.05 -3.46 115.58 113.38 2fe0 h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2fe0 h ASN 84 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 2fe0 h ASN 84 CO 0.09 0.12 0.00 0.61 -0.00 0.00 0.00 177.43 178.25 2fe0 n GLY 85 N -0.79 0.74 3.05 9.14 0.00 -1.07 -5.03 105.19 111.24 2fe0 n GLY 85 Ca -0.02 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.85 0.44 -0.10 1.61 2.02 -1.26 -2.01 118.70 118.55 2fe0 s GLU 86 Ca 0.00 -0.69 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 2fe0 s GLU 86 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 2fe0 s GLU 86 CO 0.00 -0.09 0.03 -1.58 0.02 0.00 0.00 175.26 173.64 2fe0 s TRP 87 N -2.03 3.24 -0.03 1.61 0.52 0.48 -1.09 118.94 121.64 2fe0 s TRP 87 Ca -0.10 0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.29 2fe0 s TRP 87 Cb -0.05 -1.84 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 2fe0 s TRP 87 CO -0.03 0.48 -0.16 0.08 0.02 0.00 0.00 176.95 177.35 2fe0 s VAL 88 N -0.78 1.28 -0.20 4.03 1.01 -0.67 -0.13 120.40 124.94 2fe0 s VAL 88 Ca 0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2fe0 s VAL 88 Cb -0.12 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.24 2fe0 s VAL 88 CO 0.02 0.37 0.09 0.00 0.00 0.00 0.00 175.10 175.59 2fe0 s ALA 89 N -0.05 0.57 0.04 5.51 0.00 -1.06 -2.56 121.76 124.21 2fe0 s ALA 89 Ca -0.01 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2fe0 s ALA 89 Cb -0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2fe0 s ALA 89 CO 0.01 -1.29 -0.20 -1.54 0.00 0.00 0.00 175.76 172.74 2fe0 s SER 90 N 2.08 3.67 -0.06 0.00 1.04 -1.21 -3.22 113.70 116.00 2fe0 s SER 90 Ca 0.03 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 2fe0 s SER 90 Cb -0.16 -0.55 0.08 0.00 0.10 0.00 0.00 66.02 65.49 2fe0 s SER 90 CO -0.15 0.26 0.74 0.54 0.98 0.00 0.00 173.24 175.61 2fe0 s VAL 91 N -0.90 0.00 -0.11 5.02 0.11 -1.06 -3.08 120.40 120.38 2fe0 s VAL 91 Ca 0.14 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2fe0 s VAL 91 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2fe0 s VAL 91 CO 0.04 0.00 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.06 2fe0 s VAL 92 N -1.32 3.71 -0.14 2.04 1.01 -1.26 -1.93 120.40 122.50 2fe0 s VAL 92 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2fe0 s VAL 92 Cb -0.00 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2fe0 s VAL 92 CO 0.07 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 2fe0 s VAL 93 N -0.17 2.50 0.51 2.92 1.01 -0.50 -5.03 120.40 121.65 2fe0 s VAL 93 Ca 0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2fe0 s VAL 93 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2fe0 s VAL 93 CO 0.03 0.53 0.85 -0.31 0.00 0.00 0.00 175.10 176.20 2fe0 s TYR 94 N 0.74 3.57 0.69 5.22 2.02 -1.26 -2.52 117.35 125.82 2fe0 s TYR 94 Ca -0.07 0.96 -0.15 0.00 -0.37 0.00 0.00 57.07 57.44 2fe0 s TYR 94 Cb -0.16 -2.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.00 2fe0 s TYR 94 CO 0.01 -0.38 1.15 -2.14 -1.57 0.00 0.00 175.55 172.63 2fe0 s PRO 95 N -4.78 2.48 -1.21 -1.71 0.02 -1.26 -2.74 135.00 125.80 2fe0 s PRO 95 Ca 0.50 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2fe0 s PRO 95 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2fe0 s PRO 95 CO 0.46 -1.53 0.00 0.00 -0.33 0.00 0.00 177.00 175.60 2fe0 s GLU 97 N -2.92 0.60 -0.03 0.00 0.41 -1.11 -5.11 118.70 110.55 2fe0 s GLU 97 Ca 0.00 -0.90 0.03 0.00 -0.41 0.00 0.00 54.97 53.69 2fe0 s GLU 97 Cb 0.00 -0.25 -0.00 0.00 -1.78 0.00 0.00 34.13 32.10 2fe0 s GLU 97 CO 0.00 0.03 -0.12 0.99 -0.49 0.00 0.00 175.26 175.67 2fe0 s THR 98 N -1.98 0.98 0.12 3.63 2.01 -1.26 -3.94 115.64 115.21 2fe0 s THR 98 Ca -0.05 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2fe0 s THR 98 Cb -0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2fe0 s THR 98 CO -0.01 0.29 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.51 2fe0 s GLU 99 N 0.09 0.96 0.40 4.92 2.02 -1.25 -5.07 118.70 120.77 2fe0 s GLU 99 Ca -0.02 -1.35 -0.15 0.00 0.02 0.00 0.00 54.97 53.46 2fe0 s GLU 99 Cb -0.09 -0.52 -0.09 0.00 0.10 0.00 0.00 34.13 33.53 2fe0 s GLU 99 CO 0.01 0.06 0.84 -1.64 0.02 0.00 0.00 175.26 174.54 2fe0 s MET 100 N -3.51 3.98 0.00 1.61 -1.94 -1.26 -3.49 119.30 114.70 2fe0 s MET 100 Ca 0.13 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 2fe0 s MET 100 Cb 0.02 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.54 2fe0 s MET 100 CO -0.01 -0.01 0.00 0.34 -0.01 0.00 0.00 175.02 175.33 2fe0 n PHE 101 N -0.89 0.00 -4.39 -0.03 7.35 -0.84 -3.78 117.46 114.88 2fe0 n PHE 101 Ca 0.05 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.54 2fe0 n PHE 101 Cb 0.54 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.26 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 1.05 1.61 0.03 -2.13 -5.25 -1.26 -1.46 121.20 113.79 2fe0 s ILE 102 Ca 0.00 -2.14 -0.05 0.00 -0.99 0.00 0.00 60.65 57.47 2fe0 s ILE 102 Cb 0.00 -2.32 -0.01 0.00 2.95 0.00 0.00 42.46 43.08 2fe0 s ILE 102 CO 0.00 -0.39 0.07 -0.70 -1.79 0.00 0.00 174.94 172.13 2fe0 s GLU 103 N -3.72 0.51 0.00 0.37 2.12 -1.21 0.59 118.70 117.36 2fe0 s GLU 103 Ca 0.27 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.93 2fe0 s GLU 103 Cb 0.03 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2fe0 s GLU 103 CO 0.10 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2fe0 n GLY 104 N 1.04 0.60 3.83 -1.50 0.00 -0.87 -1.34 105.19 106.95 2fe0 n GLY 104 Ca -0.20 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.63 3.86 -0.04 1.61 3.52 0.34 -4.84 118.95 122.76 2fe0 s ARG 105 Ca 0.00 0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 2fe0 s ARG 105 Cb 0.00 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 2fe0 s ARG 105 CO 0.00 0.62 -0.21 0.08 -0.81 0.00 0.00 175.30 174.98 2fe0 s VAL 106 N -0.76 1.72 -0.18 7.11 1.01 -1.26 -3.30 120.40 124.74 2fe0 s VAL 106 Ca 0.20 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 2fe0 s VAL 106 Cb -0.15 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 34.86 2fe0 s VAL 106 CO 0.09 0.49 0.34 0.54 0.00 0.00 0.00 175.10 176.56 2fe0 s ASN 107 N -0.13 0.17 -0.19 3.32 4.22 -1.26 -5.03 114.94 116.03 2fe0 s ASN 107 Ca -0.02 0.62 -0.08 0.00 -2.14 0.00 0.00 52.86 51.25 2fe0 s ASN 107 Cb -0.12 1.01 0.03 0.00 1.28 0.00 0.00 41.25 43.45 2fe0 s ASN 107 CO 0.02 -0.25 0.16 0.61 -2.04 0.00 0.00 177.10 175.60 2fe0 n GLY 108 N 5.37 -4.33 3.24 0.45 0.00 -1.26 -4.53 105.19 104.14 2fe0 n GLY 108 Ca -0.07 1.26 -0.09 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.86 0.26 -0.14 1.61 -0.71 -1.26 -3.77 117.98 113.11 2fe0 s PHE 109 Ca -0.18 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.04 2fe0 s PHE 109 Cb 0.01 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.74 2fe0 s PHE 109 CO 0.69 -0.60 -0.14 0.21 -1.34 0.00 0.00 175.22 174.04 2fe0 s LYS 110 N -3.90 3.33 -0.12 1.99 2.20 0.17 -4.98 119.74 118.43 2fe0 s LYS 110 Ca 0.09 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2fe0 s LYS 110 Cb 0.04 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 2fe0 s LYS 110 CO -0.07 0.15 -0.09 -1.12 -0.36 0.00 0.00 175.35 173.86 2fe0 s SER 111 N 0.50 4.39 -0.04 1.43 0.01 -1.26 -0.06 113.70 118.67 2fe0 s SER 111 Ca -0.09 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 2fe0 s SER 111 Cb -0.16 -1.48 0.03 0.00 0.21 0.00 0.00 66.02 64.62 2fe0 s SER 111 CO 0.04 0.23 0.04 -0.75 0.41 0.00 0.00 173.24 173.21 2fe0 s LYS 112 N -0.02 0.04 0.29 12.44 2.20 0.11 -4.99 119.74 129.80 2fe0 s LYS 112 Ca -0.01 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 2fe0 s LYS 112 Cb -0.14 -0.48 -0.06 0.00 -1.51 0.00 0.00 37.83 35.64 2fe0 s LYS 112 CO 0.03 -0.26 0.06 -1.64 -0.36 0.00 0.00 175.35 173.18 2fe0 s MET 113 N 1.74 1.54 0.30 4.03 -1.94 -1.26 -1.22 119.30 122.49 2fe0 s MET 113 Ca -0.00 -1.84 -0.18 0.00 -1.71 0.00 0.00 55.69 51.95 2fe0 s MET 113 Cb -0.12 -0.66 0.02 0.00 2.01 0.00 0.00 34.83 36.08 2fe0 s MET 113 CO -0.03 -0.21 0.69 0.34 -0.01 0.00 0.00 175.02 175.80 2fe0 s ASP 114 N -3.41 -0.15 -0.53 3.03 2.15 -1.16 -5.04 116.67 111.56 2fe0 s ASP 114 Ca 0.36 -0.78 0.04 0.00 0.43 0.00 0.00 52.55 52.59 2fe0 s ASP 114 Cb 0.08 0.73 0.14 0.00 -0.30 0.00 0.00 42.92 43.57 2fe0 s ASP 114 CO 0.14 -1.38 0.30 0.00 -0.17 0.00 0.00 175.17 174.07 2fe0 s ALA 115 N -3.61 2.98 0.33 3.66 0.00 -1.26 -2.83 121.76 121.03 2fe0 s ALA 115 Ca 0.14 -3.15 -0.15 0.00 0.00 0.00 0.00 51.96 48.80 2fe0 s ALA 115 Cb -0.05 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.93 2fe0 s ALA 115 CO 0.09 -2.05 0.74 -0.51 0.00 0.00 0.00 175.76 174.03 2fe0 s LEU 116 N -0.32 4.05 0.44 0.00 1.43 -1.03 -4.82 118.68 118.43 2fe0 s LEU 116 Ca 0.20 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 2fe0 s LEU 116 Cb -0.20 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 2fe0 s LEU 116 CO -0.04 -0.22 1.12 -2.16 0.23 0.00 0.00 176.35 175.28 2fe0 s PRO 117 N -3.04 3.90 0.32 1.29 0.04 -1.26 0.94 135.00 137.18 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 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 2fe0 s PRO 117 CO 0.18 -0.41 1.30 -0.51 0.04 0.00 0.00 177.00 177.60 2fe0 s LEU 118 N -2.91 4.43 0.00 -3.56 1.43 -1.17 -4.65 118.68 112.26 2fe0 s LEU 118 Ca 0.62 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.36 2fe0 s LEU 118 Cb -0.26 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.32 2fe0 s LEU 118 CO 0.32 -0.51 0.00 -0.24 0.23 0.00 0.00 176.35 176.14 2fe0 n SER 119 N 1.02 1.68 0.06 2.29 2.88 -1.26 -4.96 113.62 115.34 2fe0 n SER 119 Ca 0.01 -0.14 0.07 0.00 -1.33 0.00 0.00 58.87 57.48 2fe0 n SER 119 Cb 0.42 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.34 -1.00 -1.46 4.11 -2.00 -1.33 114.58 113.25 2fe0 h GLU 120 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.45 2fe0 h GLU 120 Cb 0.00 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2fe0 h GLU 120 CO 0.00 0.22 0.65 0.93 0.07 0.00 0.00 179.01 180.89 2fe0 h GLU 121 N 0.35 1.23 -0.37 1.06 5.08 -1.99 -0.48 114.58 119.44 2fe0 h GLU 121 Ca 0.13 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2fe0 h GLU 121 Cb 0.10 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2fe0 h GLU 121 CO -0.03 0.81 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.70 2fe0 h TYR 122 N 1.26 0.89 -0.86 4.33 3.20 -1.62 -1.89 116.97 122.29 2fe0 h TYR 122 Ca 0.40 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2fe0 h TYR 122 Cb -0.00 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 2fe0 h TYR 122 CO -0.00 0.96 0.57 0.00 -1.64 0.00 0.00 178.16 178.04 2fe0 h ARG 123 N 0.57 1.13 -0.47 1.82 2.47 -1.06 -2.08 114.38 116.77 2fe0 h ARG 123 Ca 0.08 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 2fe0 h ARG 123 Cb 0.72 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2fe0 h ARG 123 CO 0.05 0.75 -0.10 0.37 0.56 0.00 0.00 179.97 181.60 2fe0 h GLN 124 N 1.17 0.84 0.00 0.04 4.15 -1.01 -2.09 115.11 118.21 2fe0 h GLN 124 Ca 0.31 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2fe0 h GLN 124 Cb -0.13 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.49 2fe0 h GLN 124 CO -0.07 0.91 0.10 1.58 -1.93 0.00 0.00 178.83 179.42 2fe0 n HIS 125 N -4.16 0.22 0.07 3.99 -0.00 -0.72 0.64 115.22 115.26 2fe0 n HIS 125 Ca 0.02 0.12 0.07 0.00 0.46 0.00 0.00 57.72 58.38 2fe0 n HIS 125 Cb 0.37 -0.60 -0.04 0.00 -0.12 0.00 0.00 29.99 29.60 2fe0 n HIS 125 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2fe0 n GLN 126 N -1.69 0.61 -0.04 1.57 6.02 -0.79 -4.05 117.38 119.02 2fe0 n GLN 126 Ca -0.00 0.17 -0.14 0.00 -0.01 0.00 0.00 57.00 57.01 2fe0 n GLN 126 Cb 0.11 -1.82 -0.09 0.00 1.02 0.00 0.00 30.24 29.46 2fe0 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fe0 h ALA 127 N 1.76 0.14 -0.33 -1.58 0.00 0.12 -3.12 119.26 116.25 2fe0 h ALA 127 Ca -0.07 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2fe0 h ALA 127 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2fe0 h ALA 127 CO 0.02 0.15 0.24 1.05 0.00 0.00 0.00 179.25 180.71 2fe0 h GLU 128 N -0.16 0.00 -0.19 0.00 4.11 -1.70 0.86 114.58 117.50 2fe0 h GLU 128 Ca -0.01 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.47 2fe0 h GLU 128 Cb 0.89 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2fe0 h GLU 128 CO 0.06 0.00 0.22 0.87 0.07 0.00 0.00 179.01 180.22 2fe0 h LYS 129 N 0.00 0.00 -4.73 1.06 1.57 -1.68 -3.43 116.57 109.36 2fe0 h LYS 129 Ca 0.16 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.60 2fe0 h LYS 129 Cb 0.64 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.80 2fe0 h LYS 129 CO -0.00 0.00 -0.57 0.16 -0.57 0.00 0.00 179.45 178.47 2fe0 s ASP 130 N -5.70 0.84 0.00 0.86 1.47 0.30 -5.15 116.67 109.29 2fe0 s ASP 130 Ca -0.05 -1.54 0.25 0.00 1.18 0.00 0.00 52.55 52.39 2fe0 s ASP 130 Cb 0.15 0.45 1.48 0.00 -0.34 0.00 0.00 42.92 44.66 2fe0 s ASP 130 CO 0.54 -0.93 1.84 2.29 0.68 0.00 0.00 175.17 179.59