#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 1.78 0.34 3.17 0.00 -1.26 -4.97 105.19 104.25 2fe0 n GLY 2 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.97 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 s GLY 4 N -3.66 -1.23 0.48 0.00 0.00 -1.26 -5.00 107.32 96.65 2fe0 s GLY 4 Ca -0.09 0.22 0.18 0.00 0.00 0.00 0.00 44.72 45.03 2fe0 s GLY 4 CO 0.75 3.64 2.05 0.00 0.00 0.00 0.00 173.10 179.55 2fe0 h ALA 5 N 7.04 1.69 -1.39 3.20 0.00 -1.96 -3.43 119.26 124.40 2fe0 h ALA 5 Ca 0.05 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2fe0 h ALA 5 Cb 1.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2fe0 h ALA 5 CO 0.11 0.16 -0.14 0.45 0.00 0.00 0.00 179.25 179.82 2fe0 n SER 6 N -4.24 -3.89 -3.56 0.00 2.88 -1.26 -4.87 113.62 98.68 2fe0 n SER 6 Ca -0.03 0.41 -0.24 0.00 -1.33 0.00 0.00 58.87 57.69 2fe0 n SER 6 Cb 0.20 -1.28 0.01 0.00 -0.75 0.00 0.00 64.21 62.39 2fe0 n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2fe0 n SER 7 N -3.93 -5.61 0.13 -3.46 3.41 -1.26 -4.82 113.62 98.07 2fe0 n SER 7 Ca 0.00 -0.55 0.04 0.00 -0.26 0.00 0.00 58.87 58.10 2fe0 n SER 7 Cb 0.18 -2.41 0.46 0.00 -0.26 0.00 0.00 64.21 62.17 2fe0 n SER 7 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2fe0 h GLU 8 N 0.55 0.25 -6.04 4.33 4.39 -2.03 -3.46 114.58 112.57 2fe0 h GLU 8 Ca -0.49 -0.04 -0.42 0.00 0.34 0.00 0.00 59.36 58.75 2fe0 h GLU 8 Cb 1.32 -0.05 0.06 0.00 -0.10 0.00 0.00 28.75 29.99 2fe0 h GLU 8 CO 0.31 0.28 -0.77 0.09 -1.16 0.00 0.00 179.01 177.77 2fe0 n ASN 9 N -4.38 -3.59 -4.77 1.42 3.02 -1.26 -4.95 115.26 100.75 2fe0 n ASN 9 Ca -0.00 -0.72 -0.31 0.00 -0.03 0.00 0.00 54.58 53.52 2fe0 n ASN 9 Cb 0.18 -4.38 0.09 0.00 -0.61 0.00 0.00 39.78 35.05 2fe0 n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2fe0 s SER 10 N -3.80 4.62 0.15 6.41 1.04 -1.26 -5.07 113.70 115.78 2fe0 s SER 10 Ca 0.34 1.80 -0.10 0.00 0.48 0.00 0.00 55.95 58.48 2fe0 s SER 10 Cb -0.16 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.44 2fe0 s SER 10 CO 0.79 -1.96 0.28 -0.44 0.98 0.00 0.00 173.24 172.89 2fe0 s SER 11 N -3.43 0.04 -0.03 7.02 0.01 -1.26 -5.16 113.70 110.89 2fe0 s SER 11 Ca 0.61 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 57.15 2fe0 s SER 11 Cb -0.17 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 2fe0 s SER 11 CO 0.56 -0.86 -0.22 -0.69 0.41 0.00 0.00 173.24 172.43 2fe0 s VAL 12 N -3.93 1.78 0.01 3.43 1.01 -1.26 -5.00 120.40 116.44 2fe0 s VAL 12 Ca 0.13 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2fe0 s VAL 12 Cb 0.03 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2fe0 s VAL 12 CO -0.03 0.50 -0.05 0.28 0.00 0.00 0.00 175.10 175.80 2fe0 s THR 13 N -0.39 0.33 0.13 3.92 -1.32 -1.26 -5.16 115.64 111.88 2fe0 s THR 13 Ca 0.05 -0.54 0.04 0.00 -1.21 0.00 0.00 61.69 60.03 2fe0 s THR 13 Cb -0.10 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2fe0 s THR 13 CO 0.00 -0.15 -0.10 -0.31 -2.21 0.00 0.00 174.62 171.86 2fe0 s TYR 14 N -0.67 1.18 0.24 9.09 2.02 -1.26 -4.94 117.35 123.01 2fe0 s TYR 14 Ca -0.05 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2fe0 s TYR 14 Cb -0.05 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 2fe0 s TYR 14 CO -0.00 0.04 0.00 1.55 -1.57 0.00 0.00 175.55 175.57 2fe0 n VAL 15 N 0.07 0.05 0.25 0.71 3.14 -1.26 -4.86 118.33 116.44 2fe0 n VAL 15 Ca -0.12 0.02 0.10 0.00 -2.96 0.00 0.00 64.34 61.37 2fe0 n VAL 15 Cb 0.60 -0.56 0.64 0.00 -1.06 0.00 0.00 33.84 33.46 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2fe0 h ASN 16 N 0.00 0.00 0.00 6.55 2.35 -1.97 -3.46 115.58 119.05 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 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2fe0 h ASN 16 CO 0.00 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 2fe0 n GLY 17 N -0.82 2.38 3.89 2.83 0.00 -1.26 -5.00 105.19 107.22 2fe0 n GLY 17 Ca -0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 3.70 0.09 1.61 3.00 -1.26 -4.86 118.95 119.24 2fe0 s ARG 18 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 55.73 55.63 2fe0 s ARG 18 Cb 0.00 -2.56 -0.06 0.00 0.00 0.00 0.00 34.95 32.34 2fe0 s ARG 18 CO 0.00 0.14 1.09 -1.25 0.00 0.00 0.00 175.30 175.27 2fe0 s PRO 19 N -3.58 4.55 0.35 3.54 0.04 -1.26 -4.94 135.00 133.71 2fe0 s PRO 19 Ca 0.47 1.63 0.11 0.00 0.04 0.00 0.00 61.00 63.25 2fe0 s PRO 19 Cb -0.11 -3.35 0.66 0.00 0.04 0.00 0.00 34.50 31.74 2fe0 s PRO 19 CO 0.29 -0.04 1.80 1.15 0.04 0.00 0.00 177.00 180.25 2fe0 h THR 20 N 4.24 1.27 -3.28 1.26 2.02 -1.96 -3.41 112.91 113.05 2fe0 h THR 20 Ca -0.43 -1.30 -0.63 0.00 0.77 0.00 0.00 66.41 64.82 2fe0 h THR 20 Cb 1.21 1.65 -0.18 0.00 -1.74 0.00 0.00 68.15 69.10 2fe0 h THR 20 CO 0.76 0.38 -0.60 0.12 0.37 0.00 0.00 175.52 176.54 2fe0 s PHE 21 N -4.22 3.18 -0.07 3.16 5.36 -1.26 -5.09 117.98 119.03 2fe0 s PHE 21 Ca -0.03 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 2fe0 s PHE 21 Cb 0.14 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.83 2fe0 s PHE 21 CO 0.74 0.13 -0.07 0.08 -1.46 0.00 0.00 175.22 174.63 2fe0 s VAL 22 N 0.24 0.84 0.00 3.12 1.01 -1.26 -5.00 120.40 119.34 2fe0 s VAL 22 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2fe0 s VAL 22 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2fe0 s VAL 22 CO 0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2fe0 n GLY 23 N 4.27 0.64 2.03 4.51 0.00 -1.26 -4.94 105.19 110.44 2fe0 n GLY 23 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.81 1.61 2.13 0.25 -4.89 120.64 116.93 2fe0 n GLU 24 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2fe0 n GLU 24 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2fe0 s GLU 25 N -2.00 3.54 0.03 5.31 2.12 -1.11 -4.96 118.70 121.64 2fe0 s GLU 25 Ca 0.00 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.55 2fe0 s GLU 25 Cb 0.00 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 2fe0 s GLU 25 CO 0.00 -1.22 -0.06 0.08 -0.54 0.00 0.00 175.26 173.52 2fe0 s VAL 26 N 3.77 3.68 0.25 3.70 1.01 -1.26 -2.50 120.40 129.06 2fe0 s VAL 26 Ca 0.37 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2fe0 s VAL 26 Cb -0.10 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2fe0 s VAL 26 CO 0.26 0.32 0.37 0.42 0.00 0.00 0.00 175.10 176.47 2fe0 s THR 27 N -1.07 0.00 -0.31 3.92 -4.23 -0.71 -4.97 115.64 108.27 2fe0 s THR 27 Ca 0.19 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2fe0 s THR 27 Cb -0.11 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.45 2fe0 s THR 27 CO 0.10 0.00 0.06 -1.59 -0.54 0.00 0.00 174.62 172.65 2fe0 s LYS 28 N -3.88 1.06 0.02 3.99 -2.85 -1.26 -0.12 119.74 116.70 2fe0 s LYS 28 Ca 0.29 -1.29 -0.04 0.00 -1.00 0.00 0.00 55.97 53.93 2fe0 s LYS 28 Cb 0.02 -2.45 -0.01 0.00 -2.06 0.00 0.00 37.83 33.33 2fe0 s LYS 28 CO 0.12 -0.91 1.07 0.78 0.10 0.00 0.00 175.35 176.51 2fe0 h GLY 29 N 7.93 -2.37 -4.51 0.59 0.00 -1.64 -3.37 103.07 99.69 2fe0 h GLY 29 Ca -0.11 1.07 -0.54 0.00 0.00 0.00 0.00 47.33 47.75 2fe0 h GLY 29 CO 0.47 -0.86 0.56 -1.36 0.00 0.00 0.00 176.54 175.36 2fe0 s PHE 30 N -3.34 3.43 -2.08 5.60 0.08 -1.26 -4.90 117.98 115.50 2fe0 s PHE 30 Ca -0.02 1.32 0.13 0.00 0.12 0.00 0.00 56.93 58.49 2fe0 s PHE 30 Cb 0.01 -3.40 0.53 0.00 -0.57 0.00 0.00 43.02 39.60 2fe0 s PHE 30 CO 0.08 -1.19 1.38 0.39 -0.10 0.00 0.00 175.22 175.79 2fe0 n GLU 31 N 4.07 1.49 -4.07 0.44 -0.58 -1.26 -4.59 120.64 116.14 2fe0 n GLU 31 Ca 0.09 -0.75 -0.24 0.00 -0.42 0.00 0.00 57.16 55.84 2fe0 n GLU 31 Cb 0.47 -1.26 -0.04 0.00 -0.57 0.00 0.00 31.44 30.03 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2fe0 s LYS 32 N -1.78 3.01 1.48 3.49 2.20 -1.26 -4.98 119.74 121.90 2fe0 s LYS 32 Ca 0.23 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2fe0 s LYS 32 Cb 0.12 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 2fe0 s LYS 32 CO 0.17 0.44 0.00 -0.25 -0.36 0.00 0.00 175.35 175.36 2fe0 n ASP 33 N -0.86 -5.46 -0.24 1.43 8.00 -1.26 -3.08 116.55 115.08 2fe0 n ASP 33 Ca -0.08 0.21 0.25 0.00 0.71 0.00 0.00 54.79 55.88 2fe0 n ASP 33 Cb 0.56 -0.60 0.61 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.18 0.23 0.00 -2.24 -0.26 -1.95 -3.43 115.58 107.75 2fe0 h ASN 34 Ca 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2fe0 h ASN 34 Cb 0.18 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 2fe0 h ASN 34 CO 0.00 0.07 0.00 0.61 -1.06 0.00 0.00 177.43 177.06 2fe0 n GLY 35 N -1.60 0.41 5.06 2.83 0.00 -1.18 -4.89 105.19 105.82 2fe0 n GLY 35 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.48 0.99 4.77 -1.26 -3.99 117.00 113.03 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 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2fe0 n LEU 36 CO 0.00 0.00 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.51 2fe0 s LEU 37 N 0.00 3.31 -0.17 2.23 2.96 -1.26 -3.28 118.68 122.47 2fe0 s LEU 37 Ca 0.00 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2fe0 s LEU 37 Cb 0.00 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 2fe0 s LEU 37 CO 0.00 0.11 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.70 2fe0 s PHE 38 N 0.75 2.91 -0.14 5.38 0.08 -1.21 -2.02 117.98 123.72 2fe0 s PHE 38 Ca -0.00 -0.70 -0.22 0.00 0.12 0.00 0.00 56.93 56.12 2fe0 s PHE 38 Cb -0.14 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2fe0 s PHE 38 CO 0.02 -0.31 0.68 0.50 -0.10 0.00 0.00 175.22 176.01 2fe0 s ARG 39 N 0.79 4.32 -0.14 0.44 3.52 0.82 -3.08 118.95 125.63 2fe0 s ARG 39 Ca -0.03 0.77 -0.00 0.00 -0.13 0.00 0.00 55.73 56.34 2fe0 s ARG 39 Cb -0.15 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2fe0 s ARG 39 CO 0.01 -0.11 -0.14 0.42 -0.81 0.00 0.00 175.30 174.67 2fe0 s ILE 40 N 1.45 2.92 -0.06 4.11 1.01 0.14 -1.74 121.20 129.03 2fe0 s ILE 40 Ca 0.33 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2fe0 s ILE 40 Cb -0.17 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2fe0 s ILE 40 CO 0.13 0.52 -0.08 -0.69 0.00 0.00 0.00 174.94 174.82 2fe0 s VAL 41 N 0.54 0.87 -0.44 2.92 1.01 -1.04 -0.17 120.40 124.09 2fe0 s VAL 41 Ca -0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2fe0 s VAL 41 Cb -0.16 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.47 2fe0 s VAL 41 CO 0.04 0.31 0.29 0.21 0.00 0.00 0.00 175.10 175.95 2fe0 s ASN 42 N 0.96 5.65 0.53 3.32 3.04 -1.15 -0.59 114.94 126.71 2fe0 s ASN 42 Ca -0.10 -1.68 0.25 0.00 0.04 0.00 0.00 52.86 51.37 2fe0 s ASN 42 Cb -0.15 -1.99 1.40 0.00 -1.54 0.00 0.00 41.25 38.97 2fe0 s ASN 42 CO 0.00 -0.60 2.00 0.11 -3.04 0.00 0.00 177.10 175.57 2fe0 h LYS 43 N 8.41 0.00 0.02 0.43 1.57 -1.92 2.67 116.57 127.75 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 0.80 0.00 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.44 2fe0 h LYS 44 N 0.00 -0.04 -0.01 3.15 3.11 -1.98 -3.15 116.57 117.66 2fe0 h LYS 44 Ca 0.24 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 2fe0 h LYS 44 Cb 0.99 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 2fe0 h LYS 44 CO -0.00 -0.02 -0.22 1.63 -2.81 0.00 0.00 179.45 178.02 2fe0 n LYS 45 N -2.37 0.99 -3.08 1.90 5.02 -1.07 -4.93 118.16 114.61 2fe0 n LYS 45 Ca -0.00 -0.59 -0.22 0.00 -2.02 0.00 0.00 58.31 55.47 2fe0 n LYS 45 Cb 0.02 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.49 -4.01 -3.87 1.97 4.76 0.89 -4.48 118.16 112.93 2fe0 n LYS 46 Ca 0.13 0.73 -0.35 0.00 -2.87 0.00 0.00 58.31 55.95 2fe0 n LYS 46 Cb 0.36 -5.51 -0.10 0.00 -1.84 0.00 0.00 35.03 27.93 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 -5.74 3.94 0.27 1.97 -2.07 -1.16 -1.92 119.66 114.96 2fe0 s GLN 47 Ca 0.30 -0.35 -0.21 0.00 -1.82 0.00 0.00 55.36 53.29 2fe0 s GLN 47 Cb -0.15 -3.33 -0.09 0.00 -1.09 0.00 0.00 33.01 28.36 2fe0 s GLN 47 CO 0.37 0.12 0.79 -1.58 -1.32 0.00 0.00 175.29 173.68 2fe0 s TRP 48 N 0.81 3.60 0.02 9.60 0.52 0.39 -2.92 118.94 130.96 2fe0 s TRP 48 Ca 0.05 1.47 -0.07 0.00 0.02 0.00 0.00 56.10 57.57 2fe0 s TRP 48 Cb -0.13 -2.70 -0.00 0.00 -1.15 0.00 0.00 33.47 29.49 2fe0 s TRP 48 CO 0.02 0.24 0.13 0.00 0.02 0.00 0.00 176.95 177.37 2fe0 s ALA 49 N -1.65 -0.22 0.02 0.98 0.00 0.76 -1.38 121.76 120.26 2fe0 s ALA 49 Ca 0.47 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.16 2fe0 s ALA 49 Cb -0.16 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2fe0 s ALA 49 CO 0.21 -0.28 -0.16 0.71 0.00 0.00 0.00 175.76 176.24 2fe0 s TYR 50 N -2.08 1.43 -0.09 0.00 2.02 -1.22 -0.68 117.35 116.74 2fe0 s TYR 50 Ca -0.09 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2fe0 s TYR 50 Cb -0.04 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2fe0 s TYR 50 CO -0.02 0.03 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.36 2fe0 s TYR 51 N -0.64 1.85 -0.05 2.71 5.04 -1.18 -3.76 117.35 121.32 2fe0 s TYR 51 Ca 0.05 -0.76 -0.12 0.00 -2.44 0.00 0.00 57.07 53.79 2fe0 s TYR 51 Cb -0.07 -1.32 -0.05 0.00 0.35 0.00 0.00 41.96 40.87 2fe0 s TYR 51 CO 0.01 -0.36 0.32 1.21 -1.34 0.00 0.00 175.55 175.38 2fe0 s ASN 52 N 0.68 6.66 -0.09 4.32 3.84 -1.26 -3.36 114.94 125.73 2fe0 s ASN 52 Ca -0.13 0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.72 2fe0 s ASN 52 Cb -0.16 -2.19 -0.05 0.00 -0.55 0.00 0.00 41.25 38.29 2fe0 s ASN 52 CO 0.04 0.33 -0.08 -0.90 -2.79 0.00 0.00 177.10 173.69 2fe0 n ASP 53 N 2.04 3.18 -4.64 -4.21 5.75 -1.21 -4.08 116.55 113.39 2fe0 n ASP 53 Ca -0.15 -0.04 -0.43 0.00 -0.01 0.00 0.00 54.79 54.16 2fe0 n ASP 53 Cb 0.53 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fe0 n THR 54 N -2.79 0.64 0.88 2.12 -2.24 -1.26 -4.64 114.28 107.00 2fe0 n THR 54 Ca -0.15 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2fe0 n THR 54 Cb 0.66 -2.32 0.24 0.00 -2.10 0.00 0.00 70.33 66.81 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 6.07 0.42 0.00 4.28 -2.24 -1.26 -3.76 114.28 117.79 2fe0 n THR 55 Ca 0.23 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2fe0 n THR 55 Cb 0.40 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.59 0.27 -4.26 -0.78 0.00 -1.26 -5.03 117.38 106.92 2fe0 n GLN 56 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 56.97 2fe0 n GLN 56 Cb 0.35 -0.98 -0.14 0.00 0.00 0.00 0.00 30.24 29.47 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 -1.93 0.70 0.14 2.61 2.02 -1.25 -3.20 117.35 116.44 2fe0 s TYR 57 Ca 0.00 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.40 2fe0 s TYR 57 Cb 0.00 -0.44 -0.07 0.00 -0.40 0.00 0.00 41.96 41.05 2fe0 s TYR 57 CO 0.00 -0.02 0.50 -1.83 -1.57 0.00 0.00 175.55 172.63 2fe0 s GLU 58 N -0.40 3.88 -0.32 -0.62 1.03 0.32 -4.50 118.70 118.10 2fe0 s GLU 58 Ca 0.01 0.36 -0.16 0.00 0.03 0.00 0.00 54.97 55.21 2fe0 s GLU 58 Cb -0.04 -2.91 -0.02 0.00 -0.80 0.00 0.00 34.13 30.36 2fe0 s GLU 58 CO -0.00 0.48 0.39 -1.64 -1.33 0.00 0.00 175.26 173.17 2fe0 s MET 59 N -2.06 3.74 -0.19 -4.83 -1.94 -1.20 -1.61 119.30 111.20 2fe0 s MET 59 Ca 0.38 -0.20 -0.15 0.00 -1.71 0.00 0.00 55.69 54.00 2fe0 s MET 59 Cb -0.14 -3.75 -0.04 0.00 2.01 0.00 0.00 34.83 32.91 2fe0 s MET 59 CO 0.19 -0.46 0.36 -1.01 -0.01 0.00 0.00 175.02 174.10 2fe0 s HIS 60 N 2.11 3.40 -0.19 -0.03 3.76 -0.93 -2.50 115.29 120.90 2fe0 s HIS 60 Ca 0.14 0.60 -0.08 0.00 -0.15 0.00 0.00 55.06 55.57 2fe0 s HIS 60 Cb -0.16 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 2fe0 s HIS 60 CO 0.11 0.06 0.08 0.08 -0.85 0.00 0.00 174.74 174.22 2fe0 s VAL 61 N 1.07 4.97 -0.35 -0.90 1.01 -0.88 -2.92 120.40 122.41 2fe0 s VAL 61 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2fe0 s VAL 61 Cb -0.14 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 33.13 2fe0 s VAL 61 CO 0.07 0.45 0.25 -0.22 0.00 0.00 0.00 175.10 175.65 2fe0 s LEU 62 N 0.37 0.57 -0.10 3.92 2.96 0.01 -2.45 118.68 123.97 2fe0 s LEU 62 Ca 0.04 -1.84 0.01 0.00 -0.22 0.00 0.00 54.13 52.12 2fe0 s LEU 62 Cb -0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 2fe0 s LEU 62 CO -0.00 -0.32 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.90 2fe0 s VAL 63 N 1.36 3.21 -0.08 1.68 1.01 -1.22 -0.57 120.40 125.80 2fe0 s VAL 63 Ca 0.16 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2fe0 s VAL 63 Cb -0.20 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2fe0 s VAL 63 CO -0.06 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.62 2fe0 s THR 64 N -0.15 3.62 0.35 3.92 2.01 0.12 -2.67 115.64 122.84 2fe0 s THR 64 Ca -0.00 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.58 2fe0 s THR 64 Cb -0.13 -2.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.82 2fe0 s THR 64 CO 0.03 0.58 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.12 2fe0 s PHE 65 N -0.60 2.36 0.48 4.92 0.40 0.71 -0.98 117.98 125.27 2fe0 s PHE 65 Ca 0.09 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.74 2fe0 s PHE 65 Cb -0.12 -1.44 -0.06 0.00 0.51 0.00 0.00 43.02 41.92 2fe0 s PHE 65 CO 0.02 0.50 0.85 1.21 0.70 0.00 0.00 175.22 178.50 2fe0 s ASN 66 N -3.61 6.44 0.18 1.36 2.47 -1.26 -1.06 114.94 119.46 2fe0 s ASN 66 Ca 0.33 1.21 -0.18 0.00 0.42 0.00 0.00 52.86 54.64 2fe0 s ASN 66 Cb 0.05 -2.36 0.12 0.00 -1.45 0.00 0.00 41.25 37.61 2fe0 s ASN 66 CO 0.16 -0.55 1.63 -0.08 -3.72 0.00 0.00 177.10 174.54 2fe0 h GLU 67 N 0.71 -0.10 -4.96 0.43 4.81 -1.74 -3.11 114.58 110.62 2fe0 h GLU 67 Ca -0.47 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.18 2fe0 h GLU 67 Cb 1.19 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2fe0 h GLU 67 CO 0.63 -0.07 2.16 -0.40 -0.73 0.00 0.00 179.01 180.60 2fe0 n ASP 68 N -5.39 3.56 -3.46 1.04 5.68 -1.26 -4.78 116.55 111.94 2fe0 n ASP 68 Ca 0.03 -2.78 -0.06 0.00 -0.50 0.00 0.00 54.79 51.48 2fe0 n ASP 68 Cb 0.30 -1.55 -0.07 0.00 -1.14 0.00 0.00 41.12 38.66 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 2.64 6.27 0.15 0.00 2.15 -1.24 -4.92 116.67 121.73 2fe0 s ASP 70 Ca 0.07 -2.15 0.09 0.00 0.43 0.00 0.00 52.55 51.00 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 -1.77 -0.21 0.27 -0.17 0.00 0.00 175.17 173.14 2fe0 s ILE 71 N 6.33 1.95 0.37 4.11 -4.36 -1.26 0.05 121.20 128.39 2fe0 s ILE 71 Ca 0.58 -1.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 2fe0 s ILE 71 Cb 0.02 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 2fe0 s ILE 71 CO 0.09 -0.16 0.11 -0.54 0.24 0.00 0.00 174.94 174.67 2fe0 s LYS 72 N -2.46 1.81 -0.11 0.37 1.02 -0.72 -4.97 119.74 114.68 2fe0 s LYS 72 Ca 0.14 -2.07 -0.02 0.00 0.02 0.00 0.00 55.97 54.04 2fe0 s LYS 72 Cb -0.08 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 2fe0 s LYS 72 CO 0.07 -0.39 -0.04 0.00 -0.92 0.00 0.00 175.35 174.06 2fe0 s ALA 73 N -3.29 3.04 0.00 5.17 0.00 -1.26 -3.05 121.76 122.38 2fe0 s ALA 73 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2fe0 s ALA 73 Cb 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2fe0 s ALA 73 CO 0.15 0.42 0.00 1.28 0.00 0.00 0.00 175.76 177.61 2fe0 n LEU 74 N 2.77 0.00 0.00 0.00 4.77 -0.73 -4.96 117.00 118.84 2fe0 n LEU 74 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2fe0 n LEU 74 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2fe0 n LEU 74 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2fe0 n GLY 75 N 3.91 -2.57 0.00 -0.72 0.00 -1.25 -4.57 105.19 99.99 2fe0 n GLY 75 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 0.17 -1.59 1.61 2.85 -1.26 -4.75 118.16 115.18 2fe0 n LYS 76 Ca 0.00 0.00 -0.54 0.00 -1.05 0.00 0.00 58.31 56.72 2fe0 n LYS 76 Cb 0.00 -1.37 -0.07 0.00 -0.65 0.00 0.00 35.03 32.94 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 -0.87 0.30 -2.55 0.58 -1.04 -1.26 -4.87 114.28 104.57 2fe0 n THR 77 Ca 0.03 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 2fe0 n THR 77 Cb 0.01 -1.46 -0.02 0.00 -1.82 0.00 0.00 70.33 67.04 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 4.71 4.26 -0.12 -2.82 2.20 -1.17 -4.66 119.74 122.14 2fe0 s LYS 78 Ca 1.02 1.50 0.01 0.00 -0.36 0.00 0.00 55.97 58.15 2fe0 s LYS 78 Cb -0.95 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 31.67 2fe0 s LYS 78 CO 0.58 -0.64 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.60 2fe0 s LEU 79 N 3.24 2.60 0.08 5.43 2.96 -1.26 -3.34 118.68 128.40 2fe0 s LEU 79 Ca 0.49 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.84 2fe0 s LEU 79 Cb -0.18 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 44.98 2fe0 s LEU 79 CO 0.11 0.18 0.48 -1.83 -1.32 0.00 0.00 176.35 173.96 2fe0 s GLU 80 N 0.28 1.05 0.11 1.98 -1.05 -1.08 -5.01 118.70 114.99 2fe0 s GLU 80 Ca -0.11 -0.42 0.05 0.00 -0.15 0.00 0.00 54.97 54.34 2fe0 s GLU 80 Cb -0.16 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 2fe0 s GLU 80 CO 0.06 -0.40 0.02 -1.14 0.95 0.00 0.00 175.26 174.76 2fe0 s GLN 81 N -2.99 2.61 0.39 -4.83 0.74 -1.26 -1.43 119.66 112.89 2fe0 s GLN 81 Ca -0.02 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 54.60 2fe0 s GLN 81 Cb 0.00 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 2fe0 s GLN 81 CO -0.06 0.52 0.42 -0.65 -0.55 0.00 0.00 175.29 174.98 2fe0 s GLN 82 N -2.51 2.72 0.30 1.67 -1.52 -0.28 -4.95 119.66 115.09 2fe0 s GLN 82 Ca 0.27 -1.34 0.02 0.00 -1.95 0.00 0.00 55.36 52.36 2fe0 s GLN 82 Cb -0.11 -2.55 0.48 0.00 -0.22 0.00 0.00 33.01 30.60 2fe0 s GLN 82 CO 0.19 -0.12 1.80 1.49 -0.25 0.00 0.00 175.29 178.41 2fe0 h GLU 83 N 0.95 0.59 0.00 2.91 4.81 -2.00 -2.07 114.58 119.77 2fe0 h GLU 83 Ca -0.42 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2fe0 h GLU 83 Cb 1.27 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2fe0 h GLU 83 CO 0.54 0.66 -0.02 -2.95 -0.73 0.00 0.00 179.01 176.50 2fe0 h ASN 84 N 0.56 0.00 0.00 1.04 -0.00 -2.05 -3.46 115.58 111.67 2fe0 h ASN 84 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 2fe0 h ASN 84 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 2fe0 h ASN 84 CO 0.02 0.02 0.00 0.61 -0.00 0.00 0.00 177.43 178.09 2fe0 n GLY 85 N -1.22 0.76 3.09 9.14 0.00 -0.78 -5.02 105.19 111.16 2fe0 n GLY 85 Ca -0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.94 0.46 -0.13 1.61 2.02 -1.25 -1.99 118.70 118.48 2fe0 s GLU 86 Ca 0.00 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 2fe0 s GLU 86 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 2fe0 s GLU 86 CO 0.00 -0.11 0.06 -1.58 0.02 0.00 0.00 175.26 173.66 2fe0 s TRP 87 N -1.41 3.32 -0.02 1.61 0.52 -0.22 -1.13 118.94 121.60 2fe0 s TRP 87 Ca -0.15 0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.28 2fe0 s TRP 87 Cb -0.08 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.29 2fe0 s TRP 87 CO 0.01 0.44 -0.23 0.08 0.02 0.00 0.00 176.95 177.27 2fe0 s VAL 88 N -0.49 1.80 -0.25 4.03 1.01 -0.51 -0.21 120.40 125.78 2fe0 s VAL 88 Ca 0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2fe0 s VAL 88 Cb -0.12 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.86 2fe0 s VAL 88 CO 0.02 0.51 0.15 0.00 0.00 0.00 0.00 175.10 175.78 2fe0 s ALA 89 N -0.51 0.34 0.02 5.51 0.00 -1.09 -2.62 121.76 123.41 2fe0 s ALA 89 Ca 0.08 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.42 2fe0 s ALA 89 Cb -0.09 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2fe0 s ALA 89 CO -0.01 -1.51 -0.15 -1.54 0.00 0.00 0.00 175.76 172.56 2fe0 s SER 90 N 2.17 4.01 -0.21 0.00 1.04 -1.21 -3.37 113.70 116.14 2fe0 s SER 90 Ca 0.07 -0.33 -0.27 0.00 0.48 0.00 0.00 55.95 55.91 2fe0 s SER 90 Cb -0.16 -0.75 0.08 0.00 0.10 0.00 0.00 66.02 65.29 2fe0 s SER 90 CO -0.28 0.28 0.77 0.54 0.98 0.00 0.00 173.24 175.53 2fe0 s VAL 91 N -0.91 0.00 -0.15 5.02 0.11 -1.02 -3.04 120.40 120.41 2fe0 s VAL 91 Ca 0.15 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 2fe0 s VAL 91 Cb -0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.05 0.00 0.16 -0.69 -3.33 0.00 0.00 175.10 171.29 2fe0 s VAL 92 N -0.15 5.44 -0.13 2.04 1.01 -1.26 -2.07 120.40 125.27 2fe0 s VAL 92 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 2fe0 s VAL 92 Cb -0.03 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2fe0 s VAL 92 CO 0.02 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.86 2fe0 s VAL 93 N -0.40 3.24 0.18 2.92 1.01 -1.04 -5.03 120.40 121.27 2fe0 s VAL 93 Ca 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2fe0 s VAL 93 Cb -0.12 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 2fe0 s VAL 93 CO 0.02 0.52 0.42 -0.31 0.00 0.00 0.00 175.10 175.75 2fe0 s TYR 94 N 0.31 3.47 0.62 5.22 2.02 -1.26 -3.25 117.35 124.47 2fe0 s TYR 94 Ca -0.09 0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 57.01 2fe0 s TYR 94 Cb -0.15 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2fe0 s TYR 94 CO 0.05 0.37 1.26 -1.25 -1.57 0.00 0.00 175.55 174.42 2fe0 s PRO 95 N -2.85 2.77 -1.83 -1.71 0.04 -1.26 -2.51 135.00 127.64 2fe0 s PRO 95 Ca 0.42 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2fe0 s PRO 95 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2fe0 s PRO 95 CO 0.25 -1.41 0.00 0.00 0.04 0.00 0.00 177.00 175.88 2fe0 s GLU 97 N -3.47 0.23 -0.10 0.00 2.02 -1.05 -5.13 118.70 111.21 2fe0 s GLU 97 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.44 2fe0 s GLU 97 Cb 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 2fe0 s GLU 97 CO 0.00 -0.11 -0.09 0.99 0.02 0.00 0.00 175.26 176.07 2fe0 s THR 98 N 0.80 3.43 0.16 3.63 2.01 -1.26 -4.34 115.64 120.06 2fe0 s THR 98 Ca -0.06 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2fe0 s THR 98 Cb -0.07 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2fe0 s THR 98 CO -0.05 0.56 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.69 2fe0 s GLU 99 N -0.23 1.15 0.46 4.92 0.41 -1.25 -5.05 118.70 119.12 2fe0 s GLU 99 Ca 0.02 -1.41 -0.14 0.00 -0.41 0.00 0.00 54.97 53.03 2fe0 s GLU 99 Cb -0.13 -0.96 -0.07 0.00 -1.78 0.00 0.00 34.13 31.19 2fe0 s GLU 99 CO 0.03 0.17 0.89 -1.64 -0.49 0.00 0.00 175.26 174.22 2fe0 s MET 100 N -3.21 3.88 0.00 1.61 -1.94 -1.26 -3.41 119.30 114.97 2fe0 s MET 100 Ca 0.15 0.75 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 2fe0 s MET 100 Cb -0.02 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.57 2fe0 s MET 100 CO 0.04 -0.16 0.00 0.34 -0.01 0.00 0.00 175.02 175.23 2fe0 n PHE 101 N -1.42 0.00 -4.26 -0.03 7.35 -0.48 -3.76 117.46 114.86 2fe0 n PHE 101 Ca 0.05 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.59 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 1.19 1.15 0.30 -2.13 -5.25 -1.24 -1.77 121.20 113.45 2fe0 s ILE 102 Ca 0.00 -2.06 0.04 0.00 -0.99 0.00 0.00 60.65 57.64 2fe0 s ILE 102 Cb 0.00 -1.93 -0.02 0.00 2.95 0.00 0.00 42.46 43.47 2fe0 s ILE 102 CO 0.00 -0.68 0.15 -1.84 -1.79 0.00 0.00 174.94 170.78 2fe0 n GLU 103 N -0.23 0.54 0.00 0.37 0.28 -1.17 0.15 120.64 120.57 2fe0 n GLU 103 Ca -0.09 -2.71 0.00 0.00 -0.16 0.00 0.00 57.16 54.20 2fe0 n GLU 103 Cb 0.61 1.72 0.00 0.00 1.43 0.00 0.00 31.44 35.20 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 -0.28 -1.52 3.89 -1.84 0.00 -0.81 -1.76 105.19 102.87 2fe0 n GLY 104 Ca -0.01 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 3.59 -0.02 1.61 6.06 0.11 -4.86 118.95 125.45 2fe0 s ARG 105 Ca 0.00 -0.10 0.02 0.00 -2.50 0.00 0.00 55.73 53.15 2fe0 s ARG 105 Cb 0.00 -3.00 -0.00 0.00 0.06 0.00 0.00 34.95 32.01 2fe0 s ARG 105 CO 0.00 0.58 -0.09 0.08 -2.50 0.00 0.00 175.30 173.38 2fe0 s VAL 106 N -1.44 0.71 -0.04 7.11 1.01 -1.26 -3.60 120.40 122.89 2fe0 s VAL 106 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2fe0 s VAL 106 Cb -0.13 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2fe0 s VAL 106 CO 0.20 0.22 0.05 0.54 0.00 0.00 0.00 175.10 176.11 2fe0 s ASN 107 N 0.03 0.92 -0.06 3.32 2.20 -1.26 -5.00 114.94 115.08 2fe0 s ASN 107 Ca -0.00 0.06 -0.03 0.00 -0.94 0.00 0.00 52.86 51.95 2fe0 s ASN 107 Cb -0.06 -0.14 0.01 0.00 -2.00 0.00 0.00 41.25 39.06 2fe0 s ASN 107 CO 0.00 -0.22 0.06 0.61 -2.94 0.00 0.00 177.10 174.61 2fe0 n GLY 108 N 5.03 -1.42 3.09 0.45 0.00 -1.26 -4.49 105.19 106.59 2fe0 n GLY 108 Ca -0.09 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 2fe0 n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fe0 s PHE 109 N -0.39 0.60 -0.16 1.61 -0.71 -1.26 -4.18 117.98 113.49 2fe0 s PHE 109 Ca -0.07 -0.90 -0.04 0.00 -1.04 0.00 0.00 56.93 54.88 2fe0 s PHE 109 Cb 0.00 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.39 2fe0 s PHE 109 CO 0.22 -0.27 -0.02 0.15 -1.34 0.00 0.00 175.22 173.96 2fe0 s LYS 110 N -3.36 3.69 -0.11 1.99 3.01 -0.15 -4.97 119.74 119.85 2fe0 s LYS 110 Ca 0.04 -0.49 0.01 0.00 -1.01 0.00 0.00 55.97 54.52 2fe0 s LYS 110 Cb 0.03 -2.95 -0.02 0.00 -1.01 0.00 0.00 37.83 33.88 2fe0 s LYS 110 CO -0.06 0.27 -0.14 -1.12 0.51 0.00 0.00 175.35 174.80 2fe0 s SER 111 N 0.30 3.96 -0.04 2.83 0.01 -1.26 0.12 113.70 119.62 2fe0 s SER 111 Ca -0.02 -0.31 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 2fe0 s SER 111 Cb -0.14 -1.40 0.03 0.00 0.21 0.00 0.00 66.02 64.72 2fe0 s SER 111 CO 0.02 0.21 0.01 -0.75 0.41 0.00 0.00 173.24 173.14 2fe0 s LYS 112 N 0.07 0.34 0.20 12.44 2.20 0.27 -4.99 119.74 130.27 2fe0 s LYS 112 Ca -0.06 0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2fe0 s LYS 112 Cb -0.15 -0.61 -0.05 0.00 -1.51 0.00 0.00 37.83 35.51 2fe0 s LYS 112 CO 0.05 -0.20 0.04 -1.64 -0.36 0.00 0.00 175.35 173.24 2fe0 s MET 113 N 1.39 1.19 0.26 4.03 -1.94 -1.26 -0.81 119.30 122.16 2fe0 s MET 113 Ca -0.05 -1.60 -0.17 0.00 -1.71 0.00 0.00 55.69 52.16 2fe0 s MET 113 Cb -0.13 -0.20 0.01 0.00 2.01 0.00 0.00 34.83 36.51 2fe0 s MET 113 CO -0.03 -0.20 0.61 0.34 -0.01 0.00 0.00 175.02 175.73 2fe0 s ASP 114 N -3.21 -0.19 -0.45 3.03 -1.08 -1.15 -5.00 116.67 108.63 2fe0 s ASP 114 Ca 0.29 -0.75 0.04 0.00 -0.52 0.00 0.00 52.55 51.61 2fe0 s ASP 114 Cb 0.07 0.66 0.12 0.00 -1.46 0.00 0.00 42.92 42.31 2fe0 s ASP 114 CO 0.07 -1.25 0.19 0.00 0.52 0.00 0.00 175.17 174.70 2fe0 s ALA 115 N -3.96 3.06 0.24 3.66 0.00 -1.26 -2.19 121.76 121.30 2fe0 s ALA 115 Ca 0.16 -2.96 -0.07 0.00 0.00 0.00 0.00 51.96 49.08 2fe0 s ALA 115 Cb -0.04 -2.07 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 2fe0 s ALA 115 CO 0.08 -1.91 0.53 -0.51 0.00 0.00 0.00 175.76 173.94 2fe0 s LEU 116 N 0.16 4.15 0.12 0.00 1.43 -0.63 -4.83 118.68 119.08 2fe0 s LEU 116 Ca 0.15 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 2fe0 s LEU 116 Cb -0.24 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.34 2fe0 s LEU 116 CO -0.03 -0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.44 2fe0 s PRO 117 N -3.03 4.51 -0.26 1.29 0.04 -1.26 0.12 135.00 136.41 2fe0 s PRO 117 Ca 0.45 1.73 -0.36 0.00 0.04 0.00 0.00 61.00 62.87 2fe0 s PRO 117 Cb -0.11 -3.31 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 2fe0 s PRO 117 CO 0.25 -0.09 2.01 1.28 0.04 0.00 0.00 177.00 180.49 2fe0 n LEU 118 N 3.13 2.57 0.00 -3.56 4.77 -1.19 -4.79 117.00 117.93 2fe0 n LEU 118 Ca 0.06 0.70 -0.04 0.00 -0.03 0.00 0.00 56.01 56.70 2fe0 n LEU 118 Cb 0.46 -1.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.31 2fe0 n LEU 118 CO 0.55 -0.48 0.12 -1.20 -1.33 0.00 0.00 177.39 175.05 2fe0 n SER 119 N 8.06 0.07 0.15 -1.43 7.64 -1.26 -4.88 113.62 121.96 2fe0 n SER 119 Ca 0.33 -1.11 0.05 0.00 1.01 0.00 0.00 58.87 59.15 2fe0 n SER 119 Cb 0.23 -0.14 0.52 0.00 -1.01 0.00 0.00 64.21 63.80 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2fe0 h GLU 120 N 0.00 0.23 -0.93 1.43 4.11 -2.01 -1.96 114.58 115.45 2fe0 h GLU 120 Ca -0.06 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.45 2fe0 h GLU 120 Cb 0.19 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 2fe0 h GLU 120 CO 0.05 0.20 0.57 1.49 0.07 0.00 0.00 179.01 181.38 2fe0 h GLU 121 N 0.23 0.89 -0.72 1.06 4.57 -1.99 -0.54 114.58 118.07 2fe0 h GLU 121 Ca 0.06 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2fe0 h GLU 121 Cb 0.06 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 2fe0 h GLU 121 CO -0.01 0.59 0.28 -0.92 -1.18 0.00 0.00 179.01 177.78 2fe0 h TYR 122 N 0.92 1.11 -0.71 0.92 3.20 -1.69 0.04 116.97 120.76 2fe0 h TYR 122 Ca 0.45 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.26 2fe0 h TYR 122 Cb 0.42 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2fe0 h TYR 122 CO -0.03 0.86 0.45 0.00 -1.64 0.00 0.00 178.16 177.80 2fe0 h ARG 123 N 1.04 0.85 -0.35 1.82 2.47 -1.11 -2.00 114.38 117.12 2fe0 h ARG 123 Ca 0.24 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.75 2fe0 h ARG 123 Cb 0.23 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2fe0 h ARG 123 CO -0.02 0.56 -0.41 0.37 0.56 0.00 0.00 179.97 181.03 2fe0 h GLN 124 N 0.88 0.86 -0.41 0.04 4.15 -1.01 -2.81 115.11 116.81 2fe0 h GLN 124 Ca 0.28 -0.47 0.08 0.00 0.77 0.00 0.00 58.65 59.32 2fe0 h GLN 124 Cb 0.01 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.65 2fe0 h GLN 124 CO -0.11 1.11 -0.02 1.25 -1.93 0.00 0.00 178.83 179.13 2fe0 h HIS 125 N 0.70 -0.07 -0.39 3.99 2.76 -0.38 0.83 115.15 122.59 2fe0 h HIS 125 Ca 0.05 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2fe0 h HIS 125 Cb 0.99 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 2fe0 h HIS 125 CO 0.06 -0.11 0.07 1.96 -1.30 0.00 0.00 177.93 178.61 2fe0 h GLN 126 N 0.08 0.58 -0.49 5.26 1.08 -1.35 -2.21 115.11 118.06 2fe0 h GLN 126 Ca 0.20 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2fe0 h GLN 126 Cb 0.29 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2fe0 h GLN 126 CO -0.36 0.56 -0.02 0.00 -0.95 0.00 0.00 178.83 178.06 2fe0 h ALA 127 N 1.51 1.04 -0.38 3.87 0.00 -0.78 -2.61 119.26 121.92 2fe0 h ALA 127 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2fe0 h ALA 127 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2fe0 h ALA 127 CO 0.00 0.59 0.03 0.93 0.00 0.00 0.00 179.25 180.81 2fe0 h GLU 128 N 0.77 0.58 -0.25 0.00 4.39 -0.31 -2.03 114.58 117.72 2fe0 h GLU 128 Ca 0.14 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2fe0 h GLU 128 Cb 0.50 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2fe0 h GLU 128 CO 0.03 0.58 0.17 0.87 -1.16 0.00 0.00 179.01 179.50 2fe0 h LYS 129 N 0.56 0.21 -3.58 2.33 1.57 -1.17 -3.48 116.57 112.99 2fe0 h LYS 129 Ca 0.12 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.08 2fe0 h LYS 129 Cb 0.31 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 2fe0 h LYS 129 CO 0.01 0.14 -1.11 -3.47 -0.57 0.00 0.00 179.45 174.44 2fe0 n ASP 130 N -4.49 -7.84 0.00 0.86 2.03 -0.77 -5.14 116.55 101.19 2fe0 n ASP 130 Ca 0.02 1.60 0.00 0.00 0.52 0.00 0.00 54.79 56.93 2fe0 n ASP 130 Cb 0.17 -4.97 0.00 0.00 -0.72 0.00 0.00 41.12 35.61 2fe0 n ASP 130 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57