#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 1.15 1.23 3.03 0.00 -2.09 -0.35 103.07 106.03 2fe0 h GLY 2 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2fe0 h GLY 2 CO 0.00 0.15 0.29 0.00 0.00 0.00 0.00 176.54 176.98 2fe0 n GLY 4 N -1.01 4.08 3.76 0.00 0.00 -0.14 -5.12 105.19 106.75 2fe0 n GLY 4 Ca 0.06 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 2.89 0.08 4.61 0.00 -1.25 -4.88 121.76 123.20 2fe0 s ALA 5 Ca 0.00 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.25 2fe0 s ALA 5 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2fe0 s ALA 5 CO 0.00 -1.12 -0.20 -1.12 0.00 0.00 0.00 175.76 173.31 2fe0 s SER 6 N -1.08 3.69 0.54 0.00 0.01 -1.26 -5.01 113.70 110.59 2fe0 s SER 6 Ca 0.68 -0.53 0.28 0.00 1.31 0.00 0.00 55.95 57.69 2fe0 s SER 6 Cb -0.36 -0.50 1.54 0.00 0.21 0.00 0.00 66.02 66.90 2fe0 s SER 6 CO 0.44 0.22 2.11 0.77 0.41 0.00 0.00 173.24 177.19 2fe0 h SER 7 N 4.22 0.00 -0.19 2.44 4.64 -2.00 -1.89 113.55 120.77 2fe0 h SER 7 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 2fe0 h SER 7 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2fe0 h SER 7 CO 0.45 0.09 0.01 -0.33 -0.87 0.00 0.00 176.83 176.18 2fe0 h GLU 8 N 0.00 0.44 -0.88 4.77 5.08 -1.95 -1.97 114.58 120.08 2fe0 h GLU 8 Ca -0.00 -0.08 -0.41 0.00 -1.00 0.00 0.00 59.36 57.87 2fe0 h GLU 8 Cb 0.26 -0.07 -0.24 0.00 0.50 0.00 0.00 28.75 29.20 2fe0 h GLU 8 CO 0.01 0.47 0.49 0.09 -1.00 0.00 0.00 179.01 179.07 2fe0 n ASN 9 N -4.31 3.99 -0.10 1.42 3.02 -0.72 -4.60 115.26 113.96 2fe0 n ASN 9 Ca 0.01 -3.51 -0.06 0.00 -0.03 0.00 0.00 54.58 51.00 2fe0 n ASN 9 Cb 0.22 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 38.61 2fe0 n ASN 9 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2fe0 h SER 10 N 1.50 -0.00 0.00 6.41 0.87 -1.33 -3.47 113.55 117.53 2fe0 h SER 10 Ca 0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 2fe0 h SER 10 Cb 2.63 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.68 2fe0 h SER 10 CO 0.95 0.04 0.00 -1.20 -0.53 0.00 0.00 176.83 176.08 2fe0 n SER 11 N -5.10 2.24 -4.19 6.23 7.64 -1.26 -5.12 113.62 114.05 2fe0 n SER 11 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.63 2fe0 n SER 11 Cb 0.16 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.33 1.58 0.05 0.44 1.01 -1.26 -4.97 120.40 116.93 2fe0 s VAL 12 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2fe0 s VAL 12 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2fe0 s VAL 12 CO 0.00 0.45 -0.07 0.28 0.00 0.00 0.00 175.10 175.75 2fe0 s THR 13 N -0.32 0.57 0.19 3.92 -1.32 -1.26 -5.17 115.64 112.25 2fe0 s THR 13 Ca 0.04 -1.28 0.08 0.00 -1.21 0.00 0.00 61.69 59.31 2fe0 s THR 13 Cb -0.09 -0.86 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 2fe0 s THR 13 CO 0.00 -0.50 -0.15 -0.31 -2.21 0.00 0.00 174.62 171.46 2fe0 s TYR 14 N -1.91 1.67 0.21 9.09 1.51 -1.26 -4.88 117.35 121.79 2fe0 s TYR 14 Ca -0.05 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2fe0 s TYR 14 Cb -0.06 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 2fe0 s TYR 14 CO -0.01 0.32 0.00 1.55 -1.11 0.00 0.00 175.55 176.30 2fe0 n VAL 15 N -0.17 0.00 0.25 0.71 3.14 -1.26 -4.86 118.33 116.14 2fe0 n VAL 15 Ca -0.10 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.39 2fe0 n VAL 15 Cb 0.59 -0.50 0.65 0.00 -1.06 0.00 0.00 33.84 33.52 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 -0.66 6.55 2.35 -1.97 -3.47 115.58 118.37 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.55 2fe0 n GLY 17 N -0.63 1.01 3.84 2.83 0.00 -1.26 -5.05 105.19 105.93 2fe0 n GLY 17 Ca -0.02 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 2fe0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe0 s ARG 18 N -1.93 3.63 0.51 1.61 1.81 -1.26 -4.86 118.95 118.46 2fe0 s ARG 18 Ca 0.00 -0.12 -0.20 0.00 -1.72 0.00 0.00 55.73 53.69 2fe0 s ARG 18 Cb 0.00 -3.24 -0.11 0.00 -0.45 0.00 0.00 34.95 31.15 2fe0 s ARG 18 CO 0.00 0.67 0.48 -2.30 -0.68 0.00 0.00 175.30 173.47 2fe0 n PRO 19 N 2.32 0.51 0.00 3.54 -0.02 -1.26 -4.86 135.00 135.23 2fe0 n PRO 19 Ca -0.19 0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 2fe0 n PRO 19 Cb 0.54 -1.58 0.75 0.00 -0.02 0.00 0.00 33.50 33.19 2fe0 n PRO 19 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fe0 n THR 20 N -1.38 0.00 -4.75 3.45 -2.24 -1.26 -4.78 114.28 103.31 2fe0 n THR 20 Ca 0.11 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 2fe0 n THR 20 Cb 0.45 -0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.07 1.48 -0.07 4.78 5.36 -1.26 -5.04 117.98 121.16 2fe0 s PHE 21 Ca 0.42 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 2fe0 s PHE 21 Cb 0.21 -0.97 0.01 0.00 -0.34 0.00 0.00 43.02 41.94 2fe0 s PHE 21 CO 0.37 -0.07 -0.12 0.08 -1.46 0.00 0.00 175.22 174.02 2fe0 s VAL 22 N -0.22 1.13 0.00 3.12 1.01 -1.26 -5.05 120.40 119.13 2fe0 s VAL 22 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2fe0 s VAL 22 Cb -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2fe0 s VAL 22 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2fe0 n GLY 23 N 3.82 0.97 2.10 4.51 0.00 -1.26 -4.94 105.19 110.40 2fe0 n GLY 23 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.52 1.61 4.07 0.13 -4.83 120.64 118.11 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 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 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 4.15 -0.03 5.31 2.12 -0.77 -4.96 118.70 122.52 2fe0 s GLU 25 Ca 0.00 0.00 0.05 0.00 0.36 0.00 0.00 54.97 55.39 2fe0 s GLU 25 Cb 0.00 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 2fe0 s GLU 25 CO 0.00 0.04 -0.19 0.08 -0.54 0.00 0.00 175.26 174.66 2fe0 s VAL 26 N 1.08 2.70 0.22 3.70 1.01 -1.26 -1.32 120.40 126.54 2fe0 s VAL 26 Ca 0.14 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2fe0 s VAL 26 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2fe0 s VAL 26 CO 0.06 0.55 0.26 0.42 0.00 0.00 0.00 175.10 176.39 2fe0 s THR 27 N -0.72 0.00 -0.23 3.92 -4.23 0.26 -4.95 115.64 109.69 2fe0 s THR 27 Ca 0.11 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2fe0 s THR 27 Cb -0.10 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.39 2fe0 s THR 27 CO 0.01 0.00 0.01 -1.59 -0.54 0.00 0.00 174.62 172.51 2fe0 s LYS 28 N -4.05 1.04 0.00 3.99 0.00 -1.26 0.20 119.74 119.66 2fe0 s LYS 28 Ca 0.33 -0.74 0.00 0.00 0.00 0.00 0.00 55.97 55.56 2fe0 s LYS 28 Cb 0.04 -2.30 0.00 0.00 0.00 0.00 0.00 37.83 35.57 2fe0 s LYS 28 CO 0.12 -0.67 0.93 0.41 0.00 0.00 0.00 175.35 176.14 2fe0 n GLY 29 N 4.87 -3.12 3.69 0.59 0.00 -0.99 -4.23 105.19 106.00 2fe0 n GLY 29 Ca -0.09 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.73 3.50 0.15 1.61 0.08 -1.26 -4.93 117.98 114.41 2fe0 s PHE 30 Ca 0.00 1.50 0.14 0.00 0.12 0.00 0.00 56.93 58.69 2fe0 s PHE 30 Cb 0.00 -3.12 0.40 0.00 -0.57 0.00 0.00 43.02 39.73 2fe0 s PHE 30 CO 0.00 -0.20 1.61 0.93 -0.10 0.00 0.00 175.22 177.45 2fe0 h GLU 31 N 7.12 0.00 -7.29 0.44 3.07 -1.87 -3.37 114.58 112.69 2fe0 h GLU 31 Ca -0.31 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.03 2fe0 h GLU 31 Cb 1.15 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 29.23 2fe0 h GLU 31 CO 0.84 0.54 0.25 0.21 -1.40 0.00 0.00 179.01 179.45 2fe0 s LYS 32 N -3.42 1.44 2.78 2.33 2.20 -1.26 -4.53 119.74 119.28 2fe0 s LYS 32 Ca 0.00 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 2fe0 s LYS 32 Cb 0.11 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 2fe0 s LYS 32 CO 0.73 -2.28 0.00 -0.25 -0.36 0.00 0.00 175.35 173.19 2fe0 n ASP 33 N -3.98 -2.25 0.00 1.43 8.00 -1.26 -2.41 116.55 116.09 2fe0 n ASP 33 Ca 0.11 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.62 2fe0 n ASP 33 Cb 0.53 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.73 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 -3.12 0.00 0.00 -2.24 3.02 -1.26 -4.80 115.26 106.86 2fe0 n ASN 34 Ca 0.00 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 2fe0 n ASN 34 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.54 1.63 5.01 7.41 0.00 -1.01 -4.54 105.19 114.23 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 -4.64 0.99 4.77 -1.26 -4.00 117.00 112.86 2fe0 n LEU 36 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2fe0 n LEU 36 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2fe0 n LEU 36 CO 0.00 0.00 -0.20 -0.22 -1.33 0.00 0.00 177.39 175.64 2fe0 s LEU 37 N 0.00 4.00 -0.20 2.23 2.96 -1.26 -3.51 118.68 122.90 2fe0 s LEU 37 Ca 0.00 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 2fe0 s LEU 37 Cb 0.00 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2fe0 s LEU 37 CO 0.00 0.09 0.01 -0.36 -1.32 0.00 0.00 176.35 174.77 2fe0 s PHE 38 N 0.91 3.06 -0.35 5.38 0.08 -1.23 -2.34 117.98 123.49 2fe0 s PHE 38 Ca 0.06 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.52 2fe0 s PHE 38 Cb -0.13 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 2fe0 s PHE 38 CO 0.03 -0.19 0.71 0.50 -0.10 0.00 0.00 175.22 176.18 2fe0 s ARG 39 N 0.93 3.77 -0.18 0.44 3.52 0.54 -3.33 118.95 124.64 2fe0 s ARG 39 Ca 0.02 0.25 -0.07 0.00 -0.13 0.00 0.00 55.73 55.80 2fe0 s ARG 39 Cb -0.14 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 2fe0 s ARG 39 CO 0.02 -0.76 0.04 0.42 -0.81 0.00 0.00 175.30 174.21 2fe0 s ILE 40 N 2.89 4.59 -0.06 4.11 1.01 0.42 -0.58 121.20 133.58 2fe0 s ILE 40 Ca 0.28 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.84 2fe0 s ILE 40 Cb -0.14 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.29 2fe0 s ILE 40 CO 0.15 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.77 2fe0 s VAL 41 N 0.35 0.97 -0.45 2.92 1.01 -0.43 0.19 120.40 124.96 2fe0 s VAL 41 Ca 0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 2fe0 s VAL 41 Cb -0.13 -0.91 0.10 0.00 0.00 0.00 0.00 36.38 35.45 2fe0 s VAL 41 CO 0.01 0.32 0.32 0.21 0.00 0.00 0.00 175.10 175.95 2fe0 s ASN 42 N 0.79 5.70 0.53 3.32 3.84 -1.08 0.18 114.94 128.22 2fe0 s ASN 42 Ca -0.13 -1.74 0.26 0.00 0.21 0.00 0.00 52.86 51.47 2fe0 s ASN 42 Cb -0.15 -2.01 1.42 0.00 -0.55 0.00 0.00 41.25 39.96 2fe0 s ASN 42 CO 0.02 -0.64 1.98 0.11 -2.79 0.00 0.00 177.10 175.78 2fe0 h LYS 43 N 8.45 0.00 0.00 0.43 1.57 -1.90 2.56 116.57 127.68 2fe0 h LYS 43 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 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 0.83 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.88 2fe0 n LYS 44 N -4.33 0.00 0.00 3.15 4.81 -1.26 -3.10 118.16 117.43 2fe0 n LYS 44 Ca 0.11 0.66 0.13 0.00 -0.87 0.00 0.00 58.31 58.34 2fe0 n LYS 44 Cb 0.66 -1.45 0.31 0.00 0.02 0.00 0.00 35.03 34.56 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 -2.25 1.51 -2.53 1.64 4.76 -1.08 -4.94 118.16 115.28 2fe0 n LYS 45 Ca 0.00 -1.05 -0.20 0.00 -2.87 0.00 0.00 58.31 54.19 2fe0 n LYS 45 Cb 0.00 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fe0 n LYS 46 N 0.17 -2.33 -3.56 1.97 4.76 0.86 -4.24 118.16 115.80 2fe0 n LYS 46 Ca 0.14 0.90 -0.36 0.00 -2.87 0.00 0.00 58.31 56.12 2fe0 n LYS 46 Cb 0.42 -5.59 -0.07 0.00 -1.84 0.00 0.00 35.03 27.95 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 -5.17 4.22 0.21 1.97 -2.07 -1.14 -2.69 119.66 114.99 2fe0 s GLN 47 Ca 0.06 0.03 -0.23 0.00 -1.82 0.00 0.00 55.36 53.39 2fe0 s GLN 47 Cb -0.03 -3.45 -0.08 0.00 -1.09 0.00 0.00 33.01 28.36 2fe0 s GLN 47 CO 0.07 0.19 0.79 -1.58 -1.32 0.00 0.00 175.29 173.44 2fe0 s TRP 48 N 0.62 3.78 0.01 9.60 0.52 0.31 -2.64 118.94 131.14 2fe0 s TRP 48 Ca 0.15 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.84 2fe0 s TRP 48 Cb -0.13 -2.74 -0.01 0.00 -1.15 0.00 0.00 33.47 29.44 2fe0 s TRP 48 CO 0.03 0.40 -0.03 0.00 0.02 0.00 0.00 176.95 177.38 2fe0 s ALA 49 N -1.37 0.16 -0.02 0.98 0.00 0.13 -1.08 121.76 120.56 2fe0 s ALA 49 Ca 0.41 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.12 2fe0 s ALA 49 Cb -0.20 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2fe0 s ALA 49 CO 0.24 -0.04 -0.22 0.71 0.00 0.00 0.00 175.76 176.45 2fe0 s TYR 50 N -0.67 1.93 -0.09 0.00 2.02 -1.20 -0.44 117.35 118.91 2fe0 s TYR 50 Ca -0.06 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2fe0 s TYR 50 Cb -0.05 -1.24 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2fe0 s TYR 50 CO -0.00 -0.03 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.31 2fe0 s TYR 51 N -0.51 1.93 -0.13 2.71 5.04 -1.21 -3.44 117.35 121.74 2fe0 s TYR 51 Ca 0.08 -0.79 -0.18 0.00 -2.44 0.00 0.00 57.07 53.75 2fe0 s TYR 51 Cb -0.08 -1.35 -0.04 0.00 0.35 0.00 0.00 41.96 40.83 2fe0 s TYR 51 CO -0.01 -0.36 0.46 1.21 -1.34 0.00 0.00 175.55 175.51 2fe0 s ASN 52 N 0.62 6.65 -0.21 4.32 3.84 -1.25 -3.56 114.94 125.35 2fe0 s ASN 52 Ca -0.14 0.77 0.03 0.00 0.21 0.00 0.00 52.86 53.73 2fe0 s ASN 52 Cb -0.16 -2.28 -0.15 0.00 -0.55 0.00 0.00 41.25 38.11 2fe0 s ASN 52 CO 0.04 -0.01 -0.17 -0.90 -2.79 0.00 0.00 177.10 173.28 2fe0 n ASP 53 N 3.78 2.15 -4.64 -4.21 5.75 -1.23 -3.43 116.55 114.72 2fe0 n ASP 53 Ca -0.07 -0.10 -0.43 0.00 -0.01 0.00 0.00 54.79 54.17 2fe0 n ASP 53 Cb 0.51 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 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 -3.08 0.63 1.51 2.12 -2.24 -1.26 -4.74 114.28 107.21 2fe0 n THR 54 Ca -0.37 -0.22 0.14 0.00 -2.27 0.00 0.00 64.05 61.32 2fe0 n THR 54 Cb 0.93 -2.32 0.54 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 6.12 0.03 0.13 4.28 -2.24 -1.26 -3.67 114.28 117.67 2fe0 n THR 55 Ca 0.23 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 2fe0 n THR 55 Cb 0.40 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.09 1.89 -4.08 -0.78 0.00 -1.26 -5.02 117.38 108.22 2fe0 n GLN 56 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 57.00 57.01 2fe0 n GLN 56 Cb 0.33 -1.05 -0.12 0.00 0.00 0.00 0.00 30.24 29.40 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 -2.20 0.69 0.04 2.61 2.02 -1.24 -3.59 117.35 115.68 2fe0 s TYR 57 Ca -0.01 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 2fe0 s TYR 57 Cb 0.05 -0.41 -0.06 0.00 -0.40 0.00 0.00 41.96 41.14 2fe0 s TYR 57 CO 0.30 -0.07 0.40 -1.83 -1.57 0.00 0.00 175.55 172.78 2fe0 s GLU 58 N -1.46 3.81 -0.24 -0.62 -1.05 0.37 -4.52 118.70 114.99 2fe0 s GLU 58 Ca -0.08 0.26 -0.18 0.00 -0.15 0.00 0.00 54.97 54.82 2fe0 s GLU 58 Cb -0.09 -3.09 -0.03 0.00 -0.44 0.00 0.00 34.13 30.48 2fe0 s GLU 58 CO 0.00 0.62 0.49 -1.64 0.95 0.00 0.00 175.26 175.68 2fe0 s MET 59 N -1.56 4.11 -0.16 -4.83 -1.94 -0.98 -2.23 119.30 111.71 2fe0 s MET 59 Ca 0.29 0.31 -0.05 0.00 -1.71 0.00 0.00 55.69 54.53 2fe0 s MET 59 Cb -0.15 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 2fe0 s MET 59 CO 0.16 -0.25 0.01 -1.01 -0.01 0.00 0.00 175.02 173.91 2fe0 s HIS 60 N 1.99 3.14 -0.12 -0.03 3.76 -1.13 -0.98 115.29 121.92 2fe0 s HIS 60 Ca 0.21 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 55.05 2fe0 s HIS 60 Cb -0.15 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 2fe0 s HIS 60 CO 0.09 0.13 -0.09 0.08 -0.85 0.00 0.00 174.74 174.10 2fe0 s VAL 61 N 0.16 3.49 -0.32 -0.90 1.01 -0.92 -3.10 120.40 119.81 2fe0 s VAL 61 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2fe0 s VAL 61 Cb -0.13 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 33.90 2fe0 s VAL 61 CO 0.02 0.53 0.24 -0.22 0.00 0.00 0.00 175.10 175.67 2fe0 s LEU 62 N 0.07 0.36 -0.11 3.92 2.96 -0.51 -2.55 118.68 122.81 2fe0 s LEU 62 Ca -0.03 -1.47 0.01 0.00 -0.22 0.00 0.00 54.13 52.42 2fe0 s LEU 62 Cb -0.14 0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 2fe0 s LEU 62 CO 0.04 -0.36 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.86 2fe0 s VAL 63 N 1.74 2.75 -0.13 1.68 1.01 -1.19 -0.53 120.40 125.74 2fe0 s VAL 63 Ca 0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2fe0 s VAL 63 Cb -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2fe0 s VAL 63 CO -0.19 0.54 -0.02 -0.89 0.00 0.00 0.00 175.10 174.54 2fe0 s THR 64 N 0.25 4.04 0.28 3.92 2.01 0.19 -2.80 115.64 123.53 2fe0 s THR 64 Ca -0.11 -0.32 0.10 0.00 0.31 0.00 0.00 61.69 61.67 2fe0 s THR 64 Cb -0.16 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2fe0 s THR 64 CO 0.06 0.53 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.08 2fe0 s PHE 65 N -0.03 2.52 0.51 4.92 0.40 -0.07 0.82 117.98 127.06 2fe0 s PHE 65 Ca 0.02 -0.28 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 2fe0 s PHE 65 Cb -0.13 -1.14 -0.08 0.00 0.51 0.00 0.00 43.02 42.18 2fe0 s PHE 65 CO 0.02 0.65 0.99 1.21 0.70 0.00 0.00 175.22 178.79 2fe0 s ASN 66 N -3.61 6.56 0.28 1.36 2.47 -0.82 -0.96 114.94 120.23 2fe0 s ASN 66 Ca 0.31 1.63 0.02 0.00 0.42 0.00 0.00 52.86 55.24 2fe0 s ASN 66 Cb -0.05 -2.52 0.69 0.00 -1.45 0.00 0.00 41.25 37.92 2fe0 s ASN 66 CO 0.18 -0.63 1.68 -0.08 -3.72 0.00 0.00 177.10 174.53 2fe0 h GLU 67 N 1.04 0.31 -4.41 0.43 4.81 -1.75 -2.92 114.58 112.07 2fe0 h GLU 67 Ca -0.47 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.04 2fe0 h GLU 67 Cb 1.19 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2fe0 h GLU 67 CO 0.61 0.20 2.88 -0.25 -0.73 0.00 0.00 179.01 181.72 2fe0 n ASP 68 N -5.12 3.99 -3.37 1.04 8.00 -1.26 -4.79 116.55 115.04 2fe0 n ASP 68 Ca 0.21 -2.84 -0.06 0.00 0.71 0.00 0.00 54.79 52.81 2fe0 n ASP 68 Cb 0.64 -1.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 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 2.65 6.37 0.24 0.00 2.15 -1.22 -4.92 116.67 121.94 2fe0 s ASP 70 Ca 0.11 -2.21 0.10 0.00 0.43 0.00 0.00 52.55 50.99 2fe0 s ASP 70 Cb -0.15 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.84 2fe0 s ASP 70 CO -0.17 -1.66 -0.18 0.27 -0.17 0.00 0.00 175.17 173.26 2fe0 s ILE 71 N 5.95 2.17 0.17 4.11 -4.36 -1.26 -0.58 121.20 127.41 2fe0 s ILE 71 Ca 0.57 -2.26 0.04 0.00 -0.26 0.00 0.00 60.65 58.73 2fe0 s ILE 71 Cb 0.03 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 2fe0 s ILE 71 CO 0.09 -0.43 -0.05 -0.75 0.24 0.00 0.00 174.94 174.04 2fe0 s LYS 72 N -3.40 1.14 -0.07 0.37 2.20 -0.77 -4.96 119.74 114.24 2fe0 s LYS 72 Ca 0.25 -1.53 -0.11 0.00 -0.36 0.00 0.00 55.97 54.22 2fe0 s LYS 72 Cb -0.04 -0.53 -0.05 0.00 -1.51 0.00 0.00 37.83 35.70 2fe0 s LYS 72 CO 0.11 -0.02 0.28 0.00 -0.36 0.00 0.00 175.35 175.36 2fe0 s ALA 73 N -3.44 3.77 0.38 3.13 0.00 -1.26 -2.58 121.76 121.76 2fe0 s ALA 73 Ca 0.21 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.83 2fe0 s ALA 73 Cb 0.04 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 2fe0 s ALA 73 CO 0.03 0.50 0.06 -0.51 0.00 0.00 0.00 175.76 175.84 2fe0 s LEU 74 N -0.90 2.99 0.00 0.00 1.43 0.82 -4.96 118.68 118.06 2fe0 s LEU 74 Ca 0.19 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2fe0 s LEU 74 Cb -0.14 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.83 2fe0 s LEU 74 CO 0.08 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 176.88 2fe0 n GLY 75 N -1.04 2.28 0.47 -3.19 0.00 -1.26 -1.04 105.19 101.41 2fe0 n GLY 75 Ca -0.03 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 1.44 -1.68 1.61 2.85 -1.26 -4.94 118.16 130.18 2fe0 n LYS 76 Ca 0.00 -0.95 -0.57 0.00 -1.05 0.00 0.00 58.31 55.74 2fe0 n LYS 76 Cb 0.00 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 32.83 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 0.05 0.20 -2.96 0.58 -1.04 -0.21 -4.89 114.28 106.02 2fe0 n THR 77 Ca 0.15 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 2fe0 n THR 77 Cb 0.40 -1.06 -0.04 0.00 -1.82 0.00 0.00 70.33 67.81 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 2.62 4.40 -0.09 -2.82 2.47 -1.18 -4.52 119.74 120.63 2fe0 s LYS 78 Ca 0.95 0.98 0.04 0.00 -1.56 0.00 0.00 55.97 56.38 2fe0 s LYS 78 Cb -1.06 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 31.82 2fe0 s LYS 78 CO 0.61 -0.08 -0.21 -1.17 0.16 0.00 0.00 175.35 174.66 2fe0 s LEU 79 N 1.27 1.98 0.01 5.43 2.96 -1.26 -3.25 118.68 125.82 2fe0 s LEU 79 Ca 0.39 -0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 2fe0 s LEU 79 Cb -0.18 -1.25 0.03 0.00 0.50 0.00 0.00 46.19 45.29 2fe0 s LEU 79 CO 0.18 0.14 0.36 -1.83 -1.32 0.00 0.00 176.35 173.87 2fe0 s GLU 80 N 0.35 0.79 0.11 1.98 -1.05 -1.10 -5.00 118.70 114.78 2fe0 s GLU 80 Ca -0.16 -0.30 0.05 0.00 -0.15 0.00 0.00 54.97 54.41 2fe0 s GLU 80 Cb -0.17 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 2fe0 s GLU 80 CO 0.07 -0.25 0.03 -1.14 0.95 0.00 0.00 175.26 174.93 2fe0 s GLN 81 N -1.95 2.65 0.41 -4.83 0.74 -1.26 -1.78 119.66 113.64 2fe0 s GLN 81 Ca -0.09 -0.83 0.08 0.00 0.05 0.00 0.00 55.36 54.56 2fe0 s GLN 81 Cb -0.03 -2.58 -0.01 0.00 1.10 0.00 0.00 33.01 31.49 2fe0 s GLN 81 CO 0.01 0.53 0.42 -0.65 -0.55 0.00 0.00 175.29 175.05 2fe0 s GLN 82 N -2.49 2.62 0.32 1.67 -1.52 -0.75 -4.95 119.66 114.56 2fe0 s GLN 82 Ca 0.27 -1.45 0.04 0.00 -1.95 0.00 0.00 55.36 52.27 2fe0 s GLN 82 Cb -0.11 -2.48 0.53 0.00 -0.22 0.00 0.00 33.01 30.73 2fe0 s GLN 82 CO 0.20 -0.20 1.82 1.05 -0.25 0.00 0.00 175.29 177.91 2fe0 h GLU 83 N 0.94 0.50 0.00 2.91 4.11 -2.00 -2.01 114.58 119.03 2fe0 h GLU 83 Ca -0.41 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 58.86 2fe0 h GLU 83 Cb 1.27 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2fe0 h GLU 83 CO 0.54 0.60 -0.11 -2.95 0.07 0.00 0.00 179.01 177.16 2fe0 h ASN 84 N 0.47 0.00 -0.02 3.06 -0.00 -2.05 -3.46 115.58 113.58 2fe0 h ASN 84 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 2fe0 h ASN 84 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 2fe0 h ASN 84 CO 0.03 0.11 0.00 0.61 -0.00 0.00 0.00 177.43 178.18 2fe0 n GLY 85 N -0.77 0.71 2.97 9.14 0.00 -0.75 -5.01 105.19 111.48 2fe0 n GLY 85 Ca -0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.57 0.43 -0.15 1.61 0.41 -1.26 -1.97 118.70 117.20 2fe0 s GLU 86 Ca 0.00 -0.27 -0.10 0.00 -0.41 0.00 0.00 54.97 54.18 2fe0 s GLU 86 Cb 0.00 -0.38 -0.05 0.00 -1.78 0.00 0.00 34.13 31.93 2fe0 s GLU 86 CO 0.00 0.10 0.20 -1.58 -0.49 0.00 0.00 175.26 173.49 2fe0 s TRP 87 N -0.32 3.51 -0.10 1.61 0.52 -0.13 -1.80 118.94 122.23 2fe0 s TRP 87 Ca 0.00 0.51 0.04 0.00 0.02 0.00 0.00 56.10 56.67 2fe0 s TRP 87 Cb -0.03 -2.15 0.00 0.00 -1.15 0.00 0.00 33.47 30.14 2fe0 s TRP 87 CO -0.00 0.44 -0.22 0.08 0.02 0.00 0.00 176.95 177.27 2fe0 s VAL 88 N -0.15 1.92 -0.22 4.03 1.01 -0.74 -0.89 120.40 125.36 2fe0 s VAL 88 Ca 0.14 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2fe0 s VAL 88 Cb -0.12 -1.67 0.07 0.00 0.00 0.00 0.00 36.38 34.66 2fe0 s VAL 88 CO 0.03 0.53 0.05 0.00 0.00 0.00 0.00 175.10 175.70 2fe0 s ALA 89 N 0.42 1.11 0.05 5.51 0.00 -1.12 -2.70 121.76 125.02 2fe0 s ALA 89 Ca -0.18 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 50.97 2fe0 s ALA 89 Cb -0.18 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2fe0 s ALA 89 CO 0.08 -1.28 -0.26 -1.54 0.00 0.00 0.00 175.76 172.76 2fe0 s SER 90 N 1.81 3.23 -0.27 0.00 1.04 -1.20 -3.16 113.70 115.16 2fe0 s SER 90 Ca 0.01 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 2fe0 s SER 90 Cb -0.17 -0.32 0.08 0.00 0.10 0.00 0.00 66.02 65.71 2fe0 s SER 90 CO -0.12 0.26 0.79 0.54 0.98 0.00 0.00 173.24 175.69 2fe0 s VAL 91 N -0.82 0.00 -0.14 5.02 0.11 -1.06 -3.11 120.40 120.41 2fe0 s VAL 91 Ca 0.12 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 2fe0 s VAL 91 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.02 0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.33 2fe0 s VAL 92 N 0.38 5.35 -0.13 2.04 1.01 -1.26 -2.17 120.40 125.61 2fe0 s VAL 92 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 2fe0 s VAL 92 Cb -0.05 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2fe0 s VAL 92 CO -0.01 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.77 2fe0 s VAL 93 N -0.13 3.27 0.20 2.92 1.01 -0.15 -5.01 120.40 122.50 2fe0 s VAL 93 Ca 0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2fe0 s VAL 93 Cb -0.13 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2fe0 s VAL 93 CO 0.04 0.52 0.42 -0.31 0.00 0.00 0.00 175.10 175.77 2fe0 s TYR 94 N 0.31 3.48 0.69 5.22 2.02 -1.26 -2.31 117.35 125.50 2fe0 s TYR 94 Ca -0.09 0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 56.94 2fe0 s TYR 94 Cb -0.15 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2fe0 s TYR 94 CO 0.05 0.35 1.27 -0.35 -1.57 0.00 0.00 175.55 175.30 2fe0 n PRO 95 N -0.43 0.88 -2.01 -1.71 -0.04 -1.26 -2.62 135.00 127.81 2fe0 n PRO 95 Ca -0.03 0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 63.61 2fe0 n PRO 95 Cb 0.53 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fe0 s GLU 97 N -4.35 0.82 -0.05 0.00 2.12 -1.08 -5.05 118.70 111.11 2fe0 s GLU 97 Ca 0.00 -0.64 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 2fe0 s GLU 97 Cb 0.00 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.77 2fe0 s GLU 97 CO 0.00 -0.26 0.03 0.99 -0.54 0.00 0.00 175.26 175.48 2fe0 s THR 98 N -2.94 0.12 0.28 -1.70 2.01 -1.26 -3.75 115.64 108.40 2fe0 s THR 98 Ca -0.02 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.35 2fe0 s THR 98 Cb 0.01 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2fe0 s THR 98 CO -0.06 0.22 0.01 -1.61 -0.69 0.00 0.00 174.62 172.49 2fe0 s GLU 99 N 2.05 2.30 0.44 4.92 0.41 -1.22 -4.97 118.70 122.63 2fe0 s GLU 99 Ca 0.05 -1.44 -0.12 0.00 -0.41 0.00 0.00 54.97 53.04 2fe0 s GLU 99 Cb -0.12 -2.15 -0.07 0.00 -1.78 0.00 0.00 34.13 30.01 2fe0 s GLU 99 CO -0.04 0.33 0.83 -1.64 -0.49 0.00 0.00 175.26 174.25 2fe0 s MET 100 N -3.70 3.82 0.00 1.61 -1.94 -1.26 -3.24 119.30 114.59 2fe0 s MET 100 Ca 0.32 0.61 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 2fe0 s MET 100 Cb -0.06 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.47 2fe0 s MET 100 CO 0.20 -0.11 0.00 0.34 -0.01 0.00 0.00 175.02 175.44 2fe0 n PHE 101 N -1.41 0.00 -4.28 -0.03 7.35 -0.25 -4.44 117.46 114.40 2fe0 n PHE 101 Ca 0.04 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.55 2fe0 n PHE 101 Cb 0.54 0.00 -0.11 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 1.37 1.48 0.29 -2.13 -5.25 -1.25 -0.13 121.20 115.58 2fe0 s ILE 102 Ca 0.00 -1.94 0.04 0.00 -0.99 0.00 0.00 60.65 57.76 2fe0 s ILE 102 Cb 0.00 -1.77 -0.02 0.00 2.95 0.00 0.00 42.46 43.62 2fe0 s ILE 102 CO 0.00 -0.51 0.15 -1.84 -1.79 0.00 0.00 174.94 170.95 2fe0 n GLU 103 N 0.12 0.52 0.00 0.37 0.28 -1.07 0.11 120.64 120.97 2fe0 n GLU 103 Ca -0.12 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.29 2fe0 n GLU 103 Cb 0.59 1.69 0.00 0.00 1.43 0.00 0.00 31.44 35.14 2fe0 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fe0 n GLY 104 N -0.23 -1.04 3.86 -1.84 0.00 -1.10 -1.85 105.19 102.99 2fe0 n GLY 104 Ca -0.00 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 3.67 -0.12 1.61 3.52 0.26 -4.87 118.95 123.02 2fe0 s ARG 105 Ca 0.00 0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2fe0 s ARG 105 Cb 0.00 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2fe0 s ARG 105 CO 0.00 0.74 -0.09 0.08 -0.81 0.00 0.00 175.30 175.22 2fe0 s VAL 106 N -1.05 3.43 -0.05 7.11 1.01 -1.26 -3.41 120.40 126.17 2fe0 s VAL 106 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2fe0 s VAL 106 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.82 2fe0 s VAL 106 CO 0.09 0.53 0.02 0.21 0.00 0.00 0.00 175.10 175.95 2fe0 s ASN 107 N 0.08 1.27 -0.04 3.32 2.47 -1.26 -5.00 114.94 115.78 2fe0 s ASN 107 Ca -0.03 -0.02 -0.02 0.00 0.42 0.00 0.00 52.86 53.21 2fe0 s ASN 107 Cb -0.14 -0.30 0.01 0.00 -1.45 0.00 0.00 41.25 39.36 2fe0 s ASN 107 CO 0.04 -0.20 0.04 0.61 -3.72 0.00 0.00 177.10 173.87 2fe0 n GLY 108 N 5.06 -0.94 3.17 1.21 0.00 -1.26 -3.65 105.19 108.77 2fe0 n GLY 108 Ca -0.08 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.24 0.13 -0.08 1.61 -0.71 -1.26 -1.95 117.98 115.48 2fe0 s PHE 109 Ca -0.05 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2fe0 s PHE 109 Cb 0.00 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 2fe0 s PHE 109 CO 0.15 -0.45 -0.17 0.15 -1.34 0.00 0.00 175.22 173.56 2fe0 s LYS 110 N -3.05 2.80 -0.10 1.99 1.02 0.24 -4.95 119.74 117.69 2fe0 s LYS 110 Ca -0.01 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.23 2fe0 s LYS 110 Cb 0.01 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2fe0 s LYS 110 CO -0.07 0.43 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.55 2fe0 s SER 111 N -0.23 4.18 -0.06 2.83 0.01 -1.26 0.54 113.70 119.70 2fe0 s SER 111 Ca 0.00 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 2fe0 s SER 111 Cb -0.13 -1.36 0.04 0.00 0.21 0.00 0.00 66.02 64.78 2fe0 s SER 111 CO 0.03 0.24 0.12 -0.75 0.41 0.00 0.00 173.24 173.29 2fe0 s LYS 112 N -0.09 0.01 0.35 12.44 2.20 0.31 -4.99 119.74 129.97 2fe0 s LYS 112 Ca -0.01 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 56.08 2fe0 s LYS 112 Cb -0.14 -0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 35.83 2fe0 s LYS 112 CO 0.03 -0.27 0.08 -1.64 -0.36 0.00 0.00 175.35 173.19 2fe0 s MET 113 N 1.91 1.74 0.27 4.03 -1.94 -1.26 -1.43 119.30 122.62 2fe0 s MET 113 Ca -0.00 -2.00 -0.21 0.00 -1.71 0.00 0.00 55.69 51.77 2fe0 s MET 113 Cb -0.12 -0.79 0.03 0.00 2.01 0.00 0.00 34.83 35.96 2fe0 s MET 113 CO -0.05 -0.28 0.78 0.34 -0.01 0.00 0.00 175.02 175.80 2fe0 s ASP 114 N -3.53 -0.21 -0.52 3.03 -1.08 -1.18 -5.03 116.67 108.15 2fe0 s ASP 114 Ca 0.32 -0.63 0.04 0.00 -0.52 0.00 0.00 52.55 51.76 2fe0 s ASP 114 Cb 0.07 0.69 0.13 0.00 -1.46 0.00 0.00 42.92 42.36 2fe0 s ASP 114 CO 0.15 -1.30 0.28 0.00 0.52 0.00 0.00 175.17 174.82 2fe0 s ALA 115 N -3.62 3.06 0.28 3.66 0.00 -1.26 -2.85 121.76 121.03 2fe0 s ALA 115 Ca 0.12 -3.16 -0.09 0.00 0.00 0.00 0.00 51.96 48.83 2fe0 s ALA 115 Cb -0.05 -2.09 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 2fe0 s ALA 115 CO 0.07 -2.04 0.60 -0.51 0.00 0.00 0.00 175.76 173.88 2fe0 s LEU 116 N -0.24 4.08 0.36 0.00 1.43 -0.95 -4.85 118.68 118.52 2fe0 s LEU 116 Ca 0.18 0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 53.94 2fe0 s LEU 116 Cb -0.23 -3.72 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 2fe0 s LEU 116 CO -0.02 -0.16 1.21 -2.16 0.23 0.00 0.00 176.35 175.45 2fe0 s PRO 117 N -3.16 4.21 -0.51 1.29 0.04 -1.26 0.14 135.00 135.74 2fe0 s PRO 117 Ca 0.48 1.96 -0.33 0.00 0.04 0.00 0.00 61.00 63.15 2fe0 s PRO 117 Cb -0.11 -2.86 -0.13 0.00 0.04 0.00 0.00 34.50 31.44 2fe0 s PRO 117 CO 0.24 -0.22 2.34 1.28 0.04 0.00 0.00 177.00 180.68 2fe0 n LEU 118 N 0.44 1.73 -4.65 -3.56 4.77 -1.24 -4.59 117.00 109.90 2fe0 n LEU 118 Ca 0.02 0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.90 2fe0 n LEU 118 Cb 0.45 -1.24 0.18 0.00 -2.33 0.00 0.00 43.42 40.47 2fe0 n LEU 118 CO 0.54 -0.90 0.63 -0.44 -1.33 0.00 0.00 177.39 175.88 2fe0 s SER 119 N 8.59 2.64 0.56 -1.43 0.01 -1.26 -4.79 113.70 118.02 2fe0 s SER 119 Ca 1.13 1.44 0.30 0.00 1.31 0.00 0.00 55.95 60.13 2fe0 s SER 119 Cb -0.83 -2.12 1.46 0.00 0.21 0.00 0.00 66.02 64.74 2fe0 s SER 119 CO 0.45 -3.16 1.88 1.05 0.41 0.00 0.00 173.24 173.88 2fe0 h GLU 120 N -1.91 0.00 -0.32 12.44 4.11 -2.03 0.46 114.58 127.34 2fe0 h GLU 120 Ca -0.53 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.87 2fe0 h GLU 120 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2fe0 h GLU 120 CO 0.54 0.00 0.09 0.93 0.07 0.00 0.00 179.01 180.64 2fe0 h GLU 121 N 0.00 0.46 -0.60 1.06 5.08 -1.99 -2.44 114.58 116.15 2fe0 h GLU 121 Ca 0.33 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 2fe0 h GLU 121 Cb 1.49 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 2fe0 h GLU 121 CO -0.00 0.42 0.31 -0.92 -1.00 0.00 0.00 179.01 177.82 2fe0 h TYR 122 N 0.46 0.57 -0.91 4.33 3.20 -0.37 0.58 116.97 124.84 2fe0 h TYR 122 Ca 0.11 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.08 2fe0 h TYR 122 Cb 0.16 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 2fe0 h TYR 122 CO 0.01 0.26 0.56 0.00 -1.64 0.00 0.00 178.16 177.35 2fe0 h ARG 123 N 0.59 0.97 -0.38 1.82 3.08 -1.52 -1.20 114.38 117.74 2fe0 h ARG 123 Ca 0.27 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 2fe0 h ARG 123 Cb 0.19 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2fe0 h ARG 123 CO -0.19 0.64 -0.33 1.96 -1.07 0.00 0.00 179.97 180.98 2fe0 h GLN 124 N 1.00 0.86 -0.59 0.04 4.20 -1.25 -2.91 115.11 116.45 2fe0 h GLN 124 Ca 0.41 -0.41 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2fe0 h GLN 124 Cb 0.24 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2fe0 h GLN 124 CO -0.20 1.05 0.40 1.25 -0.67 0.00 0.00 178.83 180.67 2fe0 h HIS 125 N 0.72 0.51 -0.41 2.96 2.76 0.25 0.18 115.15 122.12 2fe0 h HIS 125 Ca 0.07 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.37 2fe0 h HIS 125 Cb 0.89 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 2fe0 h HIS 125 CO 0.05 0.26 0.29 1.96 -1.30 0.00 0.00 177.93 179.19 2fe0 h GLN 126 N 0.49 0.04 -0.14 5.26 4.20 -1.16 0.76 115.11 124.56 2fe0 h GLN 126 Ca 0.27 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.83 2fe0 h GLN 126 Cb 0.41 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2fe0 h GLN 126 CO -0.08 0.03 -0.54 0.00 -0.67 0.00 0.00 178.83 177.57 2fe0 h ALA 127 N 1.80 0.81 -0.43 3.87 0.00 -1.07 -3.03 119.26 121.21 2fe0 h ALA 127 Ca 0.19 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2fe0 h ALA 127 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2fe0 h ALA 127 CO -0.01 0.69 -0.15 0.93 0.00 0.00 0.00 179.25 180.71 2fe0 h GLU 128 N 0.32 0.80 -0.19 0.00 3.07 -0.87 -2.62 114.58 115.09 2fe0 h GLU 128 Ca 0.01 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 2fe0 h GLU 128 Cb 1.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2fe0 h GLU 128 CO 0.09 0.90 0.06 0.87 -1.40 0.00 0.00 179.01 179.53 2fe0 h LYS 129 N 0.71 0.26 -6.23 2.33 1.57 -1.33 -3.41 116.57 110.48 2fe0 h LYS 129 Ca 0.11 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.29 2fe0 h LYS 129 Cb 0.65 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2fe0 h LYS 129 CO 0.05 0.24 -0.13 -0.51 -0.57 0.00 0.00 179.45 178.53 2fe0 s ASP 130 N -6.88 6.82 0.00 0.86 1.01 -0.99 -5.14 116.67 112.36 2fe0 s ASP 130 Ca -0.06 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.22 2fe0 s ASP 130 Cb 0.17 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.83 2fe0 s ASP 130 CO 0.71 0.17 0.00 1.17 0.21 0.00 0.00 175.17 177.43