#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 h GLY 2 N 0.00 0.62 0.00 -5.12 0.00 -2.03 0.72 103.07 97.26 2fe0 h GLY 2 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2fe0 h GLY 2 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.62 2fe0 h GLY 4 N 0.00 1.01 -1.71 0.00 0.00 -2.00 -3.44 103.07 96.93 2fe0 h GLY 4 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 2fe0 h GLY 4 CO 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 176.54 176.61 2fe0 n ALA 5 N -2.45 -0.07 -0.12 3.60 0.00 0.23 -4.71 120.51 116.99 2fe0 n ALA 5 Ca 0.14 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.73 2fe0 n ALA 5 Cb 0.36 -0.67 0.42 0.00 0.00 0.00 0.00 19.45 19.56 2fe0 n ALA 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fe0 h SER 6 N 0.00 0.52 -4.13 0.00 0.02 -1.86 -3.43 113.55 104.67 2fe0 h SER 6 Ca -0.10 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.31 2fe0 h SER 6 Cb 0.32 -0.11 0.16 0.00 0.14 0.00 0.00 62.40 62.91 2fe0 h SER 6 CO 0.14 0.34 0.47 -0.44 -1.14 0.00 0.00 176.83 176.20 2fe0 s SER 7 N -6.30 4.43 0.42 3.07 0.01 -1.26 -4.89 113.70 109.18 2fe0 s SER 7 Ca -0.09 2.53 0.10 0.00 1.31 0.00 0.00 55.95 59.80 2fe0 s SER 7 Cb 0.19 -2.61 0.94 0.00 0.21 0.00 0.00 66.02 64.75 2fe0 s SER 7 CO 0.76 -2.12 2.02 -0.08 0.41 0.00 0.00 173.24 174.23 2fe0 h GLU 8 N 0.22 0.47 -5.92 12.44 4.81 -2.02 -3.46 114.58 121.12 2fe0 h GLU 8 Ca -0.50 -0.03 -0.39 0.00 -0.13 0.00 0.00 59.36 58.31 2fe0 h GLU 8 Cb 1.32 -0.11 0.10 0.00 0.63 0.00 0.00 28.75 30.70 2fe0 h GLU 8 CO 0.52 0.31 -0.76 -1.71 -0.73 0.00 0.00 179.01 176.64 2fe0 n ASN 9 N -4.48 -3.50 -4.83 1.04 2.85 -1.26 -4.96 115.26 100.13 2fe0 n ASN 9 Ca 0.06 -0.67 -0.36 0.00 -0.11 0.00 0.00 54.58 53.50 2fe0 n ASN 9 Cb 0.20 -4.64 -0.06 0.00 1.24 0.00 0.00 39.78 36.52 2fe0 n ASN 9 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2fe0 s SER 10 N -3.90 6.97 -0.04 1.20 0.15 -1.26 -4.97 113.70 111.85 2fe0 s SER 10 Ca 0.27 1.32 0.06 0.00 0.70 0.00 0.00 55.95 58.30 2fe0 s SER 10 Cb -0.13 -2.38 0.10 0.00 -1.71 0.00 0.00 66.02 61.90 2fe0 s SER 10 CO 0.77 0.03 1.02 -0.24 1.20 0.00 0.00 173.24 176.02 2fe0 n SER 11 N 0.67 0.88 -3.85 5.45 2.88 -1.26 -5.06 113.62 113.33 2fe0 n SER 11 Ca -0.03 -2.30 -0.12 0.00 -1.33 0.00 0.00 58.87 55.10 2fe0 n SER 11 Cb 0.51 -0.26 -0.12 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.01 0.02 0.09 2.46 1.01 -1.26 -4.85 120.40 116.85 2fe0 s VAL 12 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2fe0 s VAL 12 Cb 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 2fe0 s VAL 12 CO 0.01 -0.10 -0.10 0.28 0.00 0.00 0.00 175.10 175.20 2fe0 s THR 13 N -0.28 0.88 0.27 3.92 -1.32 -1.26 -5.17 115.64 112.69 2fe0 s THR 13 Ca -0.04 -1.62 0.07 0.00 -1.21 0.00 0.00 61.69 58.90 2fe0 s THR 13 Cb -0.03 -1.32 -0.06 0.00 -1.51 0.00 0.00 72.50 69.59 2fe0 s THR 13 CO 0.00 -0.57 -0.07 -0.31 -2.21 0.00 0.00 174.62 171.47 2fe0 s TYR 14 N -2.45 1.93 0.22 9.09 2.02 -1.26 -4.83 117.35 122.07 2fe0 s TYR 14 Ca 0.05 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 2fe0 s TYR 14 Cb -0.03 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 2fe0 s TYR 14 CO -0.00 0.29 0.00 1.55 -1.57 0.00 0.00 175.55 175.81 2fe0 n VAL 15 N -0.56 0.00 0.23 0.71 3.14 -1.26 -4.87 118.33 115.72 2fe0 n VAL 15 Ca -0.06 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.43 2fe0 n VAL 15 Cb 0.63 -0.45 0.50 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 -1.83 6.55 2.35 -1.98 -3.48 115.58 117.19 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 0.20 0.00 0.61 -1.65 0.00 0.00 177.43 176.59 2fe0 n GLY 17 N 0.09 3.43 3.86 2.83 0.00 -1.26 -5.09 105.19 109.06 2fe0 n GLY 17 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.33 3.84 0.69 1.61 3.00 -1.26 -4.92 118.95 119.57 2fe0 s ARG 18 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 55.73 55.85 2fe0 s ARG 18 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 34.95 31.97 2fe0 s ARG 18 CO 0.00 0.51 0.62 -2.30 0.00 0.00 0.00 175.30 174.13 2fe0 n PRO 19 N 0.75 0.41 0.15 3.54 -0.02 -1.26 -4.91 135.00 133.66 2fe0 n PRO 19 Ca -0.06 0.18 0.08 0.00 -2.02 0.00 0.00 63.50 61.68 2fe0 n PRO 19 Cb 0.52 -1.88 0.07 0.00 -0.02 0.00 0.00 33.50 32.18 2fe0 n PRO 19 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2fe0 h THR 20 N -0.19 0.26 -2.89 3.45 2.02 -1.95 -3.45 112.91 110.16 2fe0 h THR 20 Ca -0.46 -1.40 -0.63 0.00 0.77 0.00 0.00 66.41 64.69 2fe0 h THR 20 Cb 1.36 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 69.70 2fe0 h THR 20 CO 0.44 0.15 -0.32 0.12 0.37 0.00 0.00 175.52 176.28 2fe0 s PHE 21 N -3.16 3.65 0.26 3.16 5.36 -1.26 -5.10 117.98 120.89 2fe0 s PHE 21 Ca 0.03 0.75 0.06 0.00 -0.96 0.00 0.00 56.93 56.82 2fe0 s PHE 21 Cb 0.07 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 2fe0 s PHE 21 CO 0.73 0.65 0.32 0.14 -1.46 0.00 0.00 175.22 175.61 2fe0 s VAL 22 N -1.14 4.76 0.00 3.12 -7.23 -1.26 -5.09 120.40 113.56 2fe0 s VAL 22 Ca 0.23 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2fe0 s VAL 22 Cb -0.14 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2fe0 s VAL 22 CO 0.12 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2fe0 n GLY 23 N -1.37 2.98 1.03 2.32 0.00 -1.26 -4.70 105.19 104.19 2fe0 n GLY 23 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.46 1.61 4.07 0.19 -4.91 120.64 119.14 2fe0 n GLU 24 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2fe0 n GLU 24 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 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 -0.65 4.33 -0.07 5.31 2.12 -1.20 -4.92 118.70 123.63 2fe0 s GLU 25 Ca 0.00 1.67 0.02 0.00 0.36 0.00 0.00 54.97 57.01 2fe0 s GLU 25 Cb 0.00 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.81 2fe0 s GLU 25 CO 0.00 -0.49 -0.11 0.08 -0.54 0.00 0.00 175.26 174.20 2fe0 s VAL 26 N 2.45 1.06 0.11 3.70 1.01 -1.26 -2.46 120.40 125.01 2fe0 s VAL 26 Ca 0.55 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2fe0 s VAL 26 Cb -0.24 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2fe0 s VAL 26 CO 0.20 0.34 0.26 0.28 0.00 0.00 0.00 175.10 176.18 2fe0 s THR 27 N 0.75 0.11 -0.12 3.92 -1.32 -1.10 -4.83 115.64 113.05 2fe0 s THR 27 Ca -0.13 -1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 59.11 2fe0 s THR 27 Cb -0.15 -1.43 -0.05 0.00 -1.51 0.00 0.00 72.50 69.35 2fe0 s THR 27 CO 0.03 -0.50 0.27 -1.59 -2.21 0.00 0.00 174.62 170.62 2fe0 s LYS 28 N -3.88 4.02 -0.02 7.08 -2.85 -1.26 0.11 119.74 122.94 2fe0 s LYS 28 Ca 0.08 0.09 -0.17 0.00 -1.00 0.00 0.00 55.97 54.96 2fe0 s LYS 28 Cb 0.04 -3.34 -0.09 0.00 -2.06 0.00 0.00 37.83 32.38 2fe0 s LYS 28 CO -0.08 0.44 0.73 0.78 0.10 0.00 0.00 175.35 177.31 2fe0 h GLY 29 N 5.95 -0.63 -2.88 0.59 0.00 -0.78 -3.45 103.07 101.87 2fe0 h GLY 29 Ca -0.46 0.23 -0.47 0.00 0.00 0.00 0.00 47.33 46.64 2fe0 h GLY 29 CO 0.69 -0.23 0.37 -1.36 0.00 0.00 0.00 176.54 176.01 2fe0 s PHE 30 N -3.54 3.54 -0.37 5.60 0.40 -1.24 -4.95 117.98 117.42 2fe0 s PHE 30 Ca -0.09 1.73 0.06 0.00 -0.60 0.00 0.00 56.93 58.03 2fe0 s PHE 30 Cb 0.01 -2.98 0.55 0.00 0.51 0.00 0.00 43.02 41.12 2fe0 s PHE 30 CO 0.27 -0.05 1.60 -0.85 0.70 0.00 0.00 175.22 176.89 2fe0 n GLU 31 N 0.30 2.73 -4.39 0.44 0.28 -1.26 -4.65 120.64 114.09 2fe0 n GLU 31 Ca 0.03 -2.33 -0.25 0.00 -0.16 0.00 0.00 57.16 54.45 2fe0 n GLU 31 Cb 0.50 -1.97 -0.12 0.00 1.43 0.00 0.00 31.44 31.29 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2fe0 s LYS 32 N -2.44 1.43 2.98 3.44 -0.14 -1.26 -5.05 119.74 118.70 2fe0 s LYS 32 Ca 0.43 -1.48 0.00 0.00 -1.36 0.00 0.00 55.97 53.56 2fe0 s LYS 32 Cb 0.35 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.83 2fe0 s LYS 32 CO 0.10 0.35 0.00 -3.47 -0.76 0.00 0.00 175.35 171.57 2fe0 n ASP 33 N 0.29 -1.31 0.06 2.83 -0.08 -1.26 -2.86 116.55 114.22 2fe0 n ASP 33 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 2fe0 n ASP 33 Cb 0.56 0.00 0.31 0.00 2.34 0.00 0.00 41.12 44.34 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2fe0 h ASN 34 N 3.74 0.36 0.00 1.67 -0.26 -1.95 -3.45 115.58 115.69 2fe0 h ASN 34 Ca 0.00 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 2fe0 h ASN 34 Cb 0.00 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 2fe0 h ASN 34 CO 0.00 0.52 0.00 0.61 -1.06 0.00 0.00 177.43 177.50 2fe0 n GLY 35 N -0.74 0.17 5.05 2.83 0.00 -1.13 -4.67 105.19 106.69 2fe0 n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.59 0.99 4.77 -1.26 -3.73 117.00 113.19 2fe0 n LEU 36 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2fe0 n LEU 36 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2fe0 n LEU 36 CO 0.00 0.00 -0.30 -0.22 -1.33 0.00 0.00 177.39 175.54 2fe0 s LEU 37 N 0.00 3.53 -0.12 2.23 2.96 -1.26 -3.30 118.68 122.71 2fe0 s LEU 37 Ca 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2fe0 s LEU 37 Cb 0.00 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2fe0 s LEU 37 CO 0.00 0.21 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.75 2fe0 s PHE 38 N 0.12 2.81 -0.34 5.38 0.08 -1.24 -0.24 117.98 124.55 2fe0 s PHE 38 Ca 0.02 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.27 2fe0 s PHE 38 Cb -0.13 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 2fe0 s PHE 38 CO 0.02 -0.17 0.69 0.50 -0.10 0.00 0.00 175.22 176.16 2fe0 s ARG 39 N 0.24 3.78 -0.18 0.44 3.52 0.31 -3.54 118.95 123.52 2fe0 s ARG 39 Ca -0.09 0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.69 2fe0 s ARG 39 Cb -0.15 -3.78 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 2fe0 s ARG 39 CO 0.05 -0.71 0.02 0.42 -0.81 0.00 0.00 175.30 174.27 2fe0 s ILE 40 N 2.80 4.40 -0.05 4.11 1.01 -0.12 -2.70 121.20 130.65 2fe0 s ILE 40 Ca 0.27 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2fe0 s ILE 40 Cb -0.14 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.37 2fe0 s ILE 40 CO 0.14 0.46 -0.10 -0.69 0.00 0.00 0.00 174.94 174.76 2fe0 s VAL 41 N 0.48 0.92 -0.43 2.92 1.01 -1.03 0.04 120.40 124.31 2fe0 s VAL 41 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2fe0 s VAL 41 Cb -0.13 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.49 2fe0 s VAL 41 CO 0.02 0.30 0.28 0.21 0.00 0.00 0.00 175.10 175.91 2fe0 s ASN 42 N 0.62 5.59 0.56 3.32 3.84 -1.05 0.55 114.94 128.37 2fe0 s ASN 42 Ca -0.11 -1.72 0.25 0.00 0.21 0.00 0.00 52.86 51.49 2fe0 s ASN 42 Cb -0.14 -1.97 1.51 0.00 -0.55 0.00 0.00 41.25 40.10 2fe0 s ASN 42 CO 0.02 -0.59 2.08 0.11 -2.79 0.00 0.00 177.10 175.93 2fe0 h LYS 43 N 8.36 0.00 0.37 0.43 1.57 -1.92 2.76 116.57 128.15 2fe0 h LYS 43 Ca -0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2fe0 h LYS 43 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2fe0 h LYS 43 CO 0.78 0.00 -0.45 -0.22 -0.57 0.00 0.00 179.45 179.00 2fe0 h LYS 44 N 0.00 -0.82 -0.07 3.15 3.64 -1.97 -3.15 116.57 117.34 2fe0 h LYS 44 Ca 0.12 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2fe0 h LYS 44 Cb 0.55 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2fe0 h LYS 44 CO -0.00 -0.55 0.00 1.63 -2.27 0.00 0.00 179.45 178.26 2fe0 n LYS 45 N -5.51 1.34 -2.48 1.90 5.02 -0.95 -4.96 118.16 112.51 2fe0 n LYS 45 Ca -0.10 -1.52 -0.16 0.00 -2.02 0.00 0.00 58.31 54.50 2fe0 n LYS 45 Cb 0.42 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.87 -2.16 -3.60 1.97 4.76 0.92 -4.45 118.16 116.47 2fe0 n LYS 46 Ca 0.10 0.77 -0.36 0.00 -2.87 0.00 0.00 58.31 55.94 2fe0 n LYS 46 Cb 0.40 -5.41 -0.08 0.00 -1.84 0.00 0.00 35.03 28.10 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -5.09 4.16 0.43 1.97 -2.07 -1.13 -2.16 119.66 115.76 2fe0 s GLN 47 Ca 0.02 -0.10 -0.16 0.00 -1.82 0.00 0.00 55.36 53.30 2fe0 s GLN 47 Cb -0.01 -3.49 -0.09 0.00 -1.09 0.00 0.00 33.01 28.33 2fe0 s GLN 47 CO 0.03 0.14 0.88 -1.58 -1.32 0.00 0.00 175.29 173.44 2fe0 s TRP 48 N 0.82 3.40 -0.06 9.60 0.52 0.18 -2.53 118.94 130.86 2fe0 s TRP 48 Ca 0.11 1.37 -0.12 0.00 0.02 0.00 0.00 56.10 57.49 2fe0 s TRP 48 Cb -0.13 -2.69 0.02 0.00 -1.15 0.00 0.00 33.47 29.53 2fe0 s TRP 48 CO 0.03 -0.14 0.28 0.00 0.02 0.00 0.00 176.95 177.14 2fe0 s ALA 49 N -2.30 -0.69 0.02 0.98 0.00 0.11 -2.03 121.76 117.84 2fe0 s ALA 49 Ca 0.57 0.50 0.09 0.00 0.00 0.00 0.00 51.96 53.12 2fe0 s ALA 49 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2fe0 s ALA 49 CO 0.23 -0.19 -0.26 0.71 0.00 0.00 0.00 175.76 176.25 2fe0 s TYR 50 N -0.62 2.29 -0.09 0.00 2.02 -1.21 -0.94 117.35 118.80 2fe0 s TYR 50 Ca -0.07 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2fe0 s TYR 50 Cb -0.04 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 2fe0 s TYR 50 CO 0.02 0.05 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.50 2fe0 s TYR 51 N -0.71 1.35 -0.01 2.71 5.04 -1.23 -3.44 117.35 121.05 2fe0 s TYR 51 Ca 0.11 -0.59 -0.20 0.00 -2.44 0.00 0.00 57.07 53.94 2fe0 s TYR 51 Cb -0.10 -1.10 -0.05 0.00 0.35 0.00 0.00 41.96 41.06 2fe0 s TYR 51 CO 0.01 -0.40 0.59 1.21 -1.34 0.00 0.00 175.55 175.61 2fe0 s ASN 52 N 1.35 6.95 -0.16 4.32 3.84 -1.25 -3.63 114.94 126.37 2fe0 s ASN 52 Ca -0.02 1.14 0.05 0.00 0.21 0.00 0.00 52.86 54.24 2fe0 s ASN 52 Cb -0.14 -2.36 -0.14 0.00 -0.55 0.00 0.00 41.25 38.07 2fe0 s ASN 52 CO -0.04 0.10 -0.08 -0.90 -2.79 0.00 0.00 177.10 173.39 2fe0 n ASP 53 N 2.78 2.26 -4.65 -4.21 5.75 -1.21 -3.54 116.55 113.73 2fe0 n ASP 53 Ca -0.07 -0.06 -0.42 0.00 -0.01 0.00 0.00 54.79 54.23 2fe0 n ASP 53 Cb 0.51 0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.72 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2fe0 s THR 54 N -2.34 3.28 -1.68 2.12 -4.23 -1.26 -4.74 115.64 106.78 2fe0 s THR 54 Ca -0.17 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 60.78 2fe0 s THR 54 Cb 0.05 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 71.01 2fe0 s THR 54 CO 0.46 -0.05 1.25 0.35 -0.54 0.00 0.00 174.62 176.09 2fe0 n THR 55 N 5.82 0.72 0.00 3.99 -2.24 -1.26 -3.70 114.28 117.60 2fe0 n THR 55 Ca 0.20 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2fe0 n THR 55 Cb 0.42 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.55 1.70 -4.20 -0.78 0.00 -1.26 -5.04 117.38 108.34 2fe0 n GLN 56 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.97 2fe0 n GLN 56 Cb 0.42 -0.85 -0.14 0.00 0.00 0.00 0.00 30.24 29.67 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 -1.47 0.65 0.07 2.61 2.02 -1.24 -3.24 117.35 116.74 2fe0 s TYR 57 Ca 0.00 -0.20 -0.14 0.00 -0.37 0.00 0.00 57.07 56.35 2fe0 s TYR 57 Cb 0.00 -0.40 -0.06 0.00 -0.40 0.00 0.00 41.96 41.09 2fe0 s TYR 57 CO 0.00 -0.02 0.48 -1.83 -1.57 0.00 0.00 175.55 172.61 2fe0 s GLU 58 N -0.50 3.95 -0.32 -0.62 1.03 0.28 -4.51 118.70 118.02 2fe0 s GLU 58 Ca 0.00 0.45 -0.18 0.00 0.03 0.00 0.00 54.97 55.26 2fe0 s GLU 58 Cb -0.04 -3.09 -0.01 0.00 -0.80 0.00 0.00 34.13 30.18 2fe0 s GLU 58 CO -0.00 0.59 0.53 -1.64 -1.33 0.00 0.00 175.26 173.41 2fe0 s MET 59 N -1.52 3.81 -0.17 -4.83 -1.94 -1.20 -1.91 119.30 111.54 2fe0 s MET 59 Ca 0.31 0.06 -0.15 0.00 -1.71 0.00 0.00 55.69 54.20 2fe0 s MET 59 Cb -0.16 -3.75 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 2fe0 s MET 59 CO 0.17 -0.54 0.35 -1.01 -0.01 0.00 0.00 175.02 173.98 2fe0 s HIS 60 N 2.41 3.43 -0.19 -0.03 3.76 -0.99 -2.64 115.29 121.04 2fe0 s HIS 60 Ca 0.20 0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 55.65 2fe0 s HIS 60 Cb -0.15 -2.43 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 2fe0 s HIS 60 CO 0.12 0.13 0.10 0.08 -0.85 0.00 0.00 174.74 174.32 2fe0 s VAL 61 N 0.81 5.12 -0.35 -0.90 1.01 -0.98 -3.00 120.40 122.11 2fe0 s VAL 61 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2fe0 s VAL 61 Cb -0.14 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.06 2fe0 s VAL 61 CO 0.06 0.45 0.29 -0.22 0.00 0.00 0.00 175.10 175.68 2fe0 s LEU 62 N 0.37 0.39 -0.09 3.92 2.96 -0.24 -2.55 118.68 123.44 2fe0 s LEU 62 Ca 0.06 -1.76 0.02 0.00 -0.22 0.00 0.00 54.13 52.22 2fe0 s LEU 62 Cb -0.12 0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 2fe0 s LEU 62 CO -0.01 -0.30 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.89 2fe0 s VAL 63 N 1.39 3.04 -0.09 1.68 1.01 -1.17 -0.60 120.40 125.65 2fe0 s VAL 63 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2fe0 s VAL 63 Cb -0.18 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2fe0 s VAL 63 CO -0.06 0.56 -0.09 -0.89 0.00 0.00 0.00 175.10 174.62 2fe0 s THR 64 N -0.17 3.44 0.36 3.92 2.01 0.59 -2.43 115.64 123.36 2fe0 s THR 64 Ca -0.00 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.53 2fe0 s THR 64 Cb -0.13 -2.42 -0.07 0.00 0.01 0.00 0.00 72.50 69.89 2fe0 s THR 64 CO 0.03 0.56 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.09 2fe0 s PHE 65 N -0.34 2.43 0.52 4.92 0.40 0.13 -1.29 117.98 124.75 2fe0 s PHE 65 Ca 0.04 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 2fe0 s PHE 65 Cb -0.13 -1.46 -0.06 0.00 0.51 0.00 0.00 43.02 41.89 2fe0 s PHE 65 CO 0.02 0.56 0.93 1.21 0.70 0.00 0.00 175.22 178.64 2fe0 s ASN 66 N -3.63 6.43 0.20 1.36 2.47 -1.26 -0.57 114.94 119.94 2fe0 s ASN 66 Ca 0.33 1.35 -0.12 0.00 0.42 0.00 0.00 52.86 54.84 2fe0 s ASN 66 Cb 0.04 -2.42 0.24 0.00 -1.45 0.00 0.00 41.25 37.66 2fe0 s ASN 66 CO 0.17 -0.64 1.66 -0.08 -3.72 0.00 0.00 177.10 174.49 2fe0 h GLU 67 N 0.49 0.09 -5.43 0.43 4.81 -1.75 -3.15 114.58 110.07 2fe0 h GLU 67 Ca -0.46 -0.01 -0.66 0.00 -0.13 0.00 0.00 59.36 58.10 2fe0 h GLU 67 Cb 1.19 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 2fe0 h GLU 67 CO 0.62 0.06 2.32 -0.40 -0.73 0.00 0.00 179.01 180.88 2fe0 n ASP 68 N -5.29 4.55 -3.51 1.04 5.68 -1.26 -4.83 116.55 112.93 2fe0 n ASP 68 Ca 0.07 -2.88 -0.06 0.00 -0.50 0.00 0.00 54.79 51.41 2fe0 n ASP 68 Cb 0.32 -1.72 -0.07 0.00 -1.14 0.00 0.00 41.12 38.50 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fe0 s ASP 70 N 2.65 6.11 0.19 0.00 1.01 -1.20 -4.91 116.67 120.52 2fe0 s ASP 70 Ca 0.04 -2.08 0.09 0.00 0.71 0.00 0.00 52.55 51.31 2fe0 s ASP 70 Cb -0.13 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 2fe0 s ASP 70 CO -0.15 -1.94 -0.18 0.27 0.21 0.00 0.00 175.17 173.38 2fe0 s ILE 71 N 6.96 1.91 0.18 0.77 -4.36 -1.25 0.20 121.20 125.60 2fe0 s ILE 71 Ca 0.59 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2fe0 s ILE 71 Cb 0.02 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.71 2fe0 s ILE 71 CO 0.09 -0.39 -0.04 -0.75 0.24 0.00 0.00 174.94 174.08 2fe0 s LYS 72 N -3.11 1.16 -0.14 0.37 2.20 0.73 -4.92 119.74 116.03 2fe0 s LYS 72 Ca 0.20 -1.54 -0.07 0.00 -0.36 0.00 0.00 55.97 54.19 2fe0 s LYS 72 Cb -0.04 -0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 35.70 2fe0 s LYS 72 CO 0.08 -0.03 0.11 0.00 -0.36 0.00 0.00 175.35 175.15 2fe0 s ALA 73 N -3.44 3.72 0.45 3.13 0.00 -1.26 -1.06 121.76 123.30 2fe0 s ALA 73 Ca 0.22 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.57 2fe0 s ALA 73 Cb 0.04 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2fe0 s ALA 73 CO 0.04 0.47 0.26 -0.51 0.00 0.00 0.00 175.76 176.02 2fe0 s LEU 74 N -0.56 3.03 0.00 0.00 1.43 0.16 -4.90 118.68 117.85 2fe0 s LEU 74 Ca 0.12 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2fe0 s LEU 74 Cb -0.12 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2fe0 s LEU 74 CO 0.02 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.50 2fe0 n GLY 75 N -1.42 1.59 0.51 -3.19 0.00 -1.26 -0.93 105.19 100.49 2fe0 n GLY 75 Ca -0.01 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 14.00 1.69 -1.70 1.61 2.85 -1.26 -4.94 118.16 130.41 2fe0 n LYS 76 Ca 0.00 -1.02 -0.61 0.00 -1.05 0.00 0.00 58.31 55.63 2fe0 n LYS 76 Cb 0.00 -1.48 -0.08 0.00 -0.65 0.00 0.00 35.03 32.82 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 0.24 0.17 -2.77 0.58 -1.04 -0.11 -4.87 114.28 106.49 2fe0 n THR 77 Ca 0.18 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.75 2fe0 n THR 77 Cb 0.37 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 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 2.96 4.47 -0.07 -2.82 2.20 -1.19 -4.59 119.74 120.69 2fe0 s LYS 78 Ca 0.99 1.29 0.03 0.00 -0.36 0.00 0.00 55.97 57.92 2fe0 s LYS 78 Cb -1.21 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 31.62 2fe0 s LYS 78 CO 0.69 -0.16 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.18 2fe0 s LEU 79 N 1.46 1.85 0.08 5.43 2.96 -1.26 -3.23 118.68 125.97 2fe0 s LEU 79 Ca 0.47 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.82 2fe0 s LEU 79 Cb -0.19 -1.06 0.03 0.00 0.50 0.00 0.00 46.19 45.47 2fe0 s LEU 79 CO 0.21 0.10 0.38 -1.83 -1.32 0.00 0.00 176.35 173.89 2fe0 s GLU 80 N 0.45 0.96 0.11 1.98 -1.05 -1.14 -5.01 118.70 115.00 2fe0 s GLU 80 Ca -0.15 -0.56 0.05 0.00 -0.15 0.00 0.00 54.97 54.17 2fe0 s GLU 80 Cb -0.16 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2fe0 s GLU 80 CO 0.05 -0.35 0.02 -1.14 0.95 0.00 0.00 175.26 174.80 2fe0 s GLN 81 N -3.11 2.59 0.37 -4.83 0.74 -1.26 -2.05 119.66 112.10 2fe0 s GLN 81 Ca -0.01 -0.87 0.07 0.00 0.05 0.00 0.00 55.36 54.60 2fe0 s GLN 81 Cb 0.01 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 2fe0 s GLN 81 CO -0.07 0.52 0.38 -0.65 -0.55 0.00 0.00 175.29 174.92 2fe0 s GLN 82 N -2.50 2.74 0.31 1.67 -1.52 -0.64 -4.95 119.66 114.77 2fe0 s GLN 82 Ca 0.27 -1.32 0.01 0.00 -1.95 0.00 0.00 55.36 52.37 2fe0 s GLN 82 Cb -0.11 -2.53 0.51 0.00 -0.22 0.00 0.00 33.01 30.65 2fe0 s GLN 82 CO 0.19 -0.04 1.88 1.49 -0.25 0.00 0.00 175.29 178.56 2fe0 h GLU 83 N 1.06 0.75 0.00 2.91 4.57 -2.00 -1.56 114.58 120.31 2fe0 h GLU 83 Ca -0.43 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 2fe0 h GLU 83 Cb 1.26 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2fe0 h GLU 83 CO 0.56 0.65 -0.05 -2.95 -1.18 0.00 0.00 179.01 176.04 2fe0 h ASN 84 N 0.74 0.00 -0.11 1.04 -0.00 -2.05 -3.46 115.58 111.73 2fe0 h ASN 84 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 2fe0 h ASN 84 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 2fe0 h ASN 84 CO -0.01 0.05 0.00 0.61 -0.00 0.00 0.00 177.43 178.08 2fe0 n GLY 85 N -1.10 0.88 3.04 9.14 0.00 -0.58 -5.02 105.19 111.55 2fe0 n GLY 85 Ca -0.03 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.81 0.36 -0.13 1.61 2.02 -1.25 -2.06 118.70 117.44 2fe0 s GLU 86 Ca 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.58 2fe0 s GLU 86 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 2fe0 s GLU 86 CO 0.00 -0.08 0.09 -1.58 0.02 0.00 0.00 175.26 173.72 2fe0 s TRP 87 N -1.12 3.42 -0.05 1.61 0.52 0.27 -1.62 118.94 121.97 2fe0 s TRP 87 Ca -0.12 0.35 0.04 0.00 0.02 0.00 0.00 56.10 56.39 2fe0 s TRP 87 Cb -0.07 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 2fe0 s TRP 87 CO 0.01 0.53 -0.16 0.08 0.02 0.00 0.00 176.95 177.43 2fe0 s VAL 88 N -0.63 1.34 -0.14 4.03 1.01 -0.87 0.20 120.40 125.35 2fe0 s VAL 88 Ca 0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2fe0 s VAL 88 Cb -0.12 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.15 2fe0 s VAL 88 CO 0.02 0.39 0.04 0.00 0.00 0.00 0.00 175.10 175.55 2fe0 s ALA 89 N 0.16 0.76 0.03 5.51 0.00 -1.02 -2.87 121.76 124.34 2fe0 s ALA 89 Ca -0.06 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.58 2fe0 s ALA 89 Cb -0.12 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2fe0 s ALA 89 CO 0.02 -0.90 -0.21 -1.54 0.00 0.00 0.00 175.76 173.14 2fe0 s SER 90 N 1.96 2.50 -0.27 0.00 1.04 -1.20 -3.02 113.70 114.71 2fe0 s SER 90 Ca 0.02 -0.50 -0.25 0.00 0.48 0.00 0.00 55.95 55.70 2fe0 s SER 90 Cb -0.15 -0.22 0.08 0.00 0.10 0.00 0.00 66.02 65.83 2fe0 s SER 90 CO -0.07 0.18 0.79 0.54 0.98 0.00 0.00 173.24 175.66 2fe0 s VAL 91 N -0.74 0.00 -0.03 5.02 0.11 -1.06 -3.17 120.40 120.54 2fe0 s VAL 91 Ca 0.08 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.99 2fe0 s VAL 91 Cb -0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 2fe0 s VAL 91 CO 0.01 0.00 0.37 -0.69 -3.33 0.00 0.00 175.10 171.46 2fe0 s VAL 92 N 0.35 5.11 -0.08 2.04 1.01 -1.26 -2.32 120.40 125.25 2fe0 s VAL 92 Ca 0.01 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.78 2fe0 s VAL 92 Cb -0.05 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2fe0 s VAL 92 CO -0.01 0.56 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 2fe0 s VAL 93 N -0.91 2.29 0.23 2.92 1.01 -1.08 -5.02 120.40 119.84 2fe0 s VAL 93 Ca 0.22 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2fe0 s VAL 93 Cb -0.16 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2fe0 s VAL 93 CO 0.12 0.56 0.49 -0.31 0.00 0.00 0.00 175.10 175.95 2fe0 s TYR 94 N 0.07 3.47 0.67 5.22 2.02 -1.26 -3.27 117.35 124.27 2fe0 s TYR 94 Ca -0.10 0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 57.04 2fe0 s TYR 94 Cb -0.15 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 2fe0 s TYR 94 CO 0.06 0.28 1.27 -1.25 -1.57 0.00 0.00 175.55 174.34 2fe0 s PRO 95 N -3.20 2.42 -1.74 -1.71 0.04 -1.26 -2.78 135.00 126.76 2fe0 s PRO 95 Ca 0.43 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 2fe0 s PRO 95 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2fe0 s PRO 95 CO 0.27 -1.68 0.14 0.00 0.04 0.00 0.00 177.00 175.78 2fe0 s GLU 97 N -5.20 0.85 -0.11 0.00 2.56 -1.12 -5.08 118.70 110.59 2fe0 s GLU 97 Ca 0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 54.97 54.46 2fe0 s GLU 97 Cb -0.03 0.37 0.04 0.00 2.00 0.00 0.00 34.13 36.50 2fe0 s GLU 97 CO 0.09 -0.28 0.01 0.99 -0.56 0.00 0.00 175.26 175.51 2fe0 s THR 98 N -2.82 0.42 0.34 -1.70 2.01 -1.26 -3.81 115.64 108.83 2fe0 s THR 98 Ca -0.03 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 61.95 2fe0 s THR 98 Cb 0.00 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2fe0 s THR 98 CO -0.05 0.11 0.19 -1.61 -0.69 0.00 0.00 174.62 172.57 2fe0 s GLU 99 N 1.94 2.47 0.42 4.92 2.02 -1.22 -4.96 118.70 124.28 2fe0 s GLU 99 Ca 0.03 -1.48 -0.10 0.00 0.02 0.00 0.00 54.97 53.44 2fe0 s GLU 99 Cb -0.14 -2.26 -0.06 0.00 0.10 0.00 0.00 34.13 31.77 2fe0 s GLU 99 CO -0.06 0.10 0.77 -1.64 0.02 0.00 0.00 175.26 174.44 2fe0 s MET 100 N -3.89 3.74 0.00 1.61 -1.94 -1.26 -3.28 119.30 114.27 2fe0 s MET 100 Ca 0.39 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.79 2fe0 s MET 100 Cb -0.03 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.42 2fe0 s MET 100 CO 0.24 -0.06 0.00 0.34 -0.01 0.00 0.00 175.02 175.53 2fe0 n PHE 101 N -1.45 0.00 -4.43 -0.03 7.35 -0.86 -4.53 117.46 113.52 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 1.35 2.24 0.05 -2.13 -5.25 -1.26 0.40 121.20 116.60 2fe0 s ILE 102 Ca 0.00 -2.30 0.01 0.00 -0.99 0.00 0.00 60.65 57.37 2fe0 s ILE 102 Cb 0.00 -2.19 -0.03 0.00 2.95 0.00 0.00 42.46 43.19 2fe0 s ILE 102 CO 0.00 -0.42 -0.05 -0.70 -1.79 0.00 0.00 174.94 171.97 2fe0 s GLU 103 N -3.43 0.53 0.00 0.37 2.12 -0.23 0.51 118.70 118.58 2fe0 s GLU 103 Ca 0.26 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.72 2fe0 s GLU 103 Cb -0.04 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.26 2fe0 s GLU 103 CO 0.12 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2fe0 n GLY 104 N 1.06 0.56 3.86 -1.50 0.00 -0.92 0.26 105.19 108.50 2fe0 n GLY 104 Ca -0.20 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.21 2fe0 n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fe0 s ARG 105 N -0.17 3.72 -0.03 1.61 3.52 0.55 -4.86 118.95 123.29 2fe0 s ARG 105 Ca 0.00 0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.84 2fe0 s ARG 105 Cb 0.00 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 2fe0 s ARG 105 CO 0.00 0.72 -0.20 0.08 -0.81 0.00 0.00 175.30 175.08 2fe0 s VAL 106 N -1.08 1.65 -0.05 7.11 1.01 -1.26 -3.23 120.40 124.55 2fe0 s VAL 106 Ca 0.21 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2fe0 s VAL 106 Cb -0.15 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.87 2fe0 s VAL 106 CO 0.10 0.47 0.03 0.54 0.00 0.00 0.00 175.10 176.24 2fe0 s ASN 107 N -0.25 1.13 -0.04 3.32 2.20 -1.26 -5.00 114.94 115.04 2fe0 s ASN 107 Ca 0.02 -0.00 -0.02 0.00 -0.94 0.00 0.00 52.86 51.92 2fe0 s ASN 107 Cb -0.10 -0.26 0.01 0.00 -2.00 0.00 0.00 41.25 38.89 2fe0 s ASN 107 CO 0.01 -0.20 0.04 0.61 -2.94 0.00 0.00 177.10 174.62 2fe0 n GLY 108 N 4.98 -0.96 3.07 0.45 0.00 -1.26 -4.55 105.19 106.92 2fe0 n GLY 108 Ca -0.10 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.37 0.53 -0.16 1.61 -0.71 -1.26 -4.25 117.98 113.36 2fe0 s PHE 109 Ca -0.04 -0.83 -0.05 0.00 -1.04 0.00 0.00 56.93 54.97 2fe0 s PHE 109 Cb 0.00 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.43 2fe0 s PHE 109 CO 0.15 -0.26 -0.01 0.21 -1.34 0.00 0.00 175.22 173.98 2fe0 s LYS 110 N -2.97 3.76 -0.08 1.99 2.20 -0.42 -4.98 119.74 119.24 2fe0 s LYS 110 Ca -0.00 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2fe0 s LYS 110 Cb 0.01 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2fe0 s LYS 110 CO -0.05 0.24 -0.11 -1.12 -0.36 0.00 0.00 175.35 173.95 2fe0 s SER 111 N 0.38 4.27 -0.03 1.43 0.01 -1.26 -0.30 113.70 118.19 2fe0 s SER 111 Ca -0.02 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 2fe0 s SER 111 Cb -0.14 -1.22 0.03 0.00 0.21 0.00 0.00 66.02 64.91 2fe0 s SER 111 CO 0.02 0.29 0.05 -0.75 0.41 0.00 0.00 173.24 173.26 2fe0 s LYS 112 N -0.38 -0.04 0.16 12.44 2.20 0.23 -4.99 119.74 129.36 2fe0 s LYS 112 Ca 0.05 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 2fe0 s LYS 112 Cb -0.12 -0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 2fe0 s LYS 112 CO 0.02 -0.23 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.12 2fe0 s MET 113 N 1.53 1.07 0.26 4.03 -1.94 -1.26 -1.08 119.30 121.90 2fe0 s MET 113 Ca -0.04 -1.50 -0.10 0.00 -1.71 0.00 0.00 55.69 52.35 2fe0 s MET 113 Cb -0.13 -0.29 -0.01 0.00 2.01 0.00 0.00 34.83 36.42 2fe0 s MET 113 CO -0.03 -0.10 0.44 0.34 -0.01 0.00 0.00 175.02 175.66 2fe0 s ASP 114 N -3.15 0.10 -0.45 3.03 2.15 -1.16 -5.00 116.67 112.19 2fe0 s ASP 114 Ca 0.21 -1.09 0.03 0.00 0.43 0.00 0.00 52.55 52.14 2fe0 s ASP 114 Cb 0.06 0.58 0.12 0.00 -0.30 0.00 0.00 42.92 43.38 2fe0 s ASP 114 CO 0.02 -1.14 0.20 0.00 -0.17 0.00 0.00 175.17 174.09 2fe0 s ALA 115 N -3.84 2.73 0.22 3.66 0.00 -1.26 -2.35 121.76 120.92 2fe0 s ALA 115 Ca 0.26 -2.80 -0.08 0.00 0.00 0.00 0.00 51.96 49.34 2fe0 s ALA 115 Cb 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 2fe0 s ALA 115 CO 0.11 -1.95 0.52 -0.51 0.00 0.00 0.00 175.76 173.93 2fe0 s LEU 116 N 0.27 4.17 0.17 0.00 1.43 -0.80 -4.83 118.68 119.08 2fe0 s LEU 116 Ca 0.16 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.78 2fe0 s LEU 116 Cb -0.24 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 2fe0 s LEU 116 CO -0.03 -0.07 1.13 -2.16 0.23 0.00 0.00 176.35 175.45 2fe0 s PRO 117 N -2.91 4.55 0.31 1.29 0.04 -1.26 1.00 135.00 138.02 2fe0 s PRO 117 Ca 0.46 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 2fe0 s PRO 117 Cb -0.11 -3.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.02 2fe0 s PRO 117 CO 0.23 0.00 1.28 1.28 0.04 0.00 0.00 177.00 179.84 2fe0 n LEU 118 N 2.56 3.23 0.00 -3.56 4.77 -1.20 -4.78 117.00 118.01 2fe0 n LEU 118 Ca 0.04 1.19 -0.10 0.00 -0.03 0.00 0.00 56.01 57.11 2fe0 n LEU 118 Cb 0.46 -1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2fe0 n LEU 118 CO 0.54 -0.60 0.02 -1.20 -1.33 0.00 0.00 177.39 174.82 2fe0 n SER 119 N 1.14 1.72 -0.08 -1.43 7.64 -1.26 -4.95 113.62 116.40 2fe0 n SER 119 Ca 0.07 -1.73 0.17 0.00 1.01 0.00 0.00 58.87 58.39 2fe0 n SER 119 Cb 0.34 -0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.13 2fe0 n SER 119 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2fe0 h GLU 120 N 0.00 0.22 -0.86 1.43 4.57 -2.01 0.32 114.58 118.26 2fe0 h GLU 120 Ca -0.13 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2fe0 h GLU 120 Cb 0.48 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 2fe0 h GLU 120 CO 0.21 0.15 0.56 0.93 -1.18 0.00 0.00 179.01 179.68 2fe0 h GLU 121 N 0.23 1.02 -0.39 1.92 5.08 -1.99 -1.89 114.58 118.56 2fe0 h GLU 121 Ca 0.30 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2fe0 h GLU 121 Cb 0.87 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2fe0 h GLU 121 CO -0.06 0.68 0.13 -0.92 -1.00 0.00 0.00 179.01 177.84 2fe0 h TYR 122 N 1.05 0.61 -1.01 4.33 3.20 -1.30 -0.98 116.97 122.89 2fe0 h TYR 122 Ca 0.34 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.20 2fe0 h TYR 122 Cb 0.05 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 2fe0 h TYR 122 CO -0.00 0.57 0.66 0.00 -1.64 0.00 0.00 178.16 177.75 2fe0 h ARG 123 N 0.48 1.21 -0.35 1.82 3.08 -1.29 -1.32 114.38 118.01 2fe0 h ARG 123 Ca 0.13 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2fe0 h ARG 123 Cb 0.24 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2fe0 h ARG 123 CO -0.01 0.80 -0.26 0.37 -1.07 0.00 0.00 179.97 179.80 2fe0 h GLN 124 N 1.25 0.70 -0.08 0.04 4.15 -1.06 -2.52 115.11 117.59 2fe0 h GLN 124 Ca 0.41 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.56 2fe0 h GLN 124 Cb 0.05 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2fe0 h GLN 124 CO -0.14 0.89 0.10 1.25 -1.93 0.00 0.00 178.83 179.00 2fe0 h HIS 125 N 0.61 0.00 0.00 3.99 2.76 -0.01 0.26 115.15 122.76 2fe0 h HIS 125 Ca 0.08 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2fe0 h HIS 125 Cb 0.76 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 2fe0 h HIS 125 CO 0.04 0.00 -0.00 1.96 -1.30 0.00 0.00 177.93 178.62 2fe0 h GLN 126 N 0.00 0.00 0.07 5.26 4.20 -1.12 -3.24 115.11 120.28 2fe0 h GLN 126 Ca 0.04 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.77 2fe0 h GLN 126 Cb 0.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2fe0 h GLN 126 CO -0.00 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.94 2fe0 h ALA 127 N 2.00 -0.34 -0.01 3.87 0.00 -0.54 0.28 119.26 124.51 2fe0 h ALA 127 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2fe0 h ALA 127 Cb 0.64 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2fe0 h ALA 127 CO 0.00 -0.74 -0.06 1.05 0.00 0.00 0.00 179.25 179.50 2fe0 h GLU 128 N -0.39 0.01 -0.01 0.00 4.11 -1.70 0.97 114.58 117.57 2fe0 h GLU 128 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2fe0 h GLU 128 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2fe0 h GLU 128 CO -0.15 0.08 -0.10 1.63 0.07 0.00 0.00 179.01 180.54 2fe0 n LYS 129 N -4.46 0.87 -3.76 1.06 5.02 -0.46 -4.93 118.16 111.51 2fe0 n LYS 129 Ca -0.03 -0.33 -0.25 0.00 -2.02 0.00 0.00 58.31 55.68 2fe0 n LYS 129 Cb 0.15 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 2fe0 n LYS 129 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2fe0 n ASP 130 N -0.77 -3.06 0.00 4.39 2.03 0.88 -5.07 116.55 114.94 2fe0 n ASP 130 Ca 0.16 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.70 2fe0 n ASP 130 Cb 0.28 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.53 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45