#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 2.68 3.28 3.03 0.00 -1.26 -4.81 105.19 108.12 2fe0 n GLY 2 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n GLY 4 N 0.67 0.32 0.27 0.00 0.00 -1.26 -5.03 105.19 100.15 2fe0 n GLY 4 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 h ALA 5 N 0.00 1.68 -3.14 4.61 0.00 -1.97 -3.42 119.26 117.02 2fe0 h ALA 5 Ca 0.00 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.16 2fe0 h ALA 5 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 2fe0 h ALA 5 CO 0.00 0.25 -0.59 -1.54 0.00 0.00 0.00 179.25 177.37 2fe0 s SER 6 N -6.86 5.61 0.47 0.00 1.04 -1.26 -4.99 113.70 107.70 2fe0 s SER 6 Ca -0.06 0.09 0.30 0.00 0.48 0.00 0.00 55.95 56.76 2fe0 s SER 6 Cb 0.16 -1.57 1.12 0.00 0.10 0.00 0.00 66.02 65.83 2fe0 s SER 6 CO 0.72 0.24 1.87 0.77 0.98 0.00 0.00 173.24 177.81 2fe0 h SER 7 N 3.81 0.00 0.00 7.02 4.64 -2.04 -3.46 113.55 123.52 2fe0 h SER 7 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2fe0 h SER 7 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2fe0 h SER 7 CO 0.64 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.81 2fe0 n GLU 8 N -2.91 0.00 -3.67 4.77 2.13 -1.26 -4.79 120.64 114.91 2fe0 n GLU 8 Ca 0.02 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 2fe0 n GLU 8 Cb 0.33 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.10 2fe0 n GLU 8 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2fe0 n ASN 9 N 5.13 -3.98 -4.70 4.31 3.02 -1.26 -4.94 115.26 112.83 2fe0 n ASN 9 Ca 0.00 -0.68 -0.40 0.00 -0.03 0.00 0.00 54.58 53.47 2fe0 n ASN 9 Cb 0.00 -4.53 -0.05 0.00 -0.61 0.00 0.00 39.78 34.59 2fe0 n ASN 9 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2fe0 s SER 10 N -3.75 6.95 0.00 6.41 0.15 -1.26 -4.70 113.70 117.50 2fe0 s SER 10 Ca 0.37 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2fe0 s SER 10 Cb -0.17 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2fe0 s SER 10 CO 0.78 -0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.79 2fe0 n SER 11 N 4.17 0.00 -3.77 5.45 2.88 -1.26 -5.15 113.62 115.94 2fe0 n SER 11 Ca -0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2fe0 n SER 11 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 -0.02 -0.02 2.46 1.01 -1.26 -4.90 120.40 117.67 2fe0 s VAL 12 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2fe0 s VAL 12 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2fe0 s VAL 12 CO 0.00 0.03 -0.14 -0.89 0.00 0.00 0.00 175.10 174.09 2fe0 s THR 13 N 0.59 1.16 0.32 3.92 2.01 -1.26 -5.15 115.64 117.23 2fe0 s THR 13 Ca -0.04 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.46 2fe0 s THR 13 Cb -0.05 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 2fe0 s THR 13 CO -0.03 0.33 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.87 2fe0 s TYR 14 N -0.16 2.49 0.08 4.92 2.02 -1.26 -4.84 117.35 120.61 2fe0 s TYR 14 Ca 0.02 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2fe0 s TYR 14 Cb -0.08 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 2fe0 s TYR 14 CO 0.00 0.57 0.00 1.55 -1.57 0.00 0.00 175.55 176.10 2fe0 n VAL 15 N -0.85 0.00 1.85 0.71 3.14 -1.26 -4.86 118.33 117.06 2fe0 n VAL 15 Ca -0.05 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.42 2fe0 n VAL 15 Cb 0.62 -0.31 0.48 0.00 -1.06 0.00 0.00 33.84 33.57 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2fe0 n ASN 16 N -2.72 0.32 0.00 6.55 3.02 -1.26 -4.95 115.26 116.21 2fe0 n ASN 16 Ca 0.00 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 2fe0 n ASN 16 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2fe0 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 17 N 0.84 3.65 3.85 7.41 0.00 -1.26 -4.93 105.19 114.75 2fe0 n GLY 17 Ca 0.13 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.41 4.02 0.56 1.61 3.00 -1.26 -4.92 118.95 118.56 2fe0 s ARG 18 Ca 0.00 0.68 -0.19 0.00 0.00 0.00 0.00 55.73 56.22 2fe0 s ARG 18 Cb 0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 34.95 32.39 2fe0 s ARG 18 CO 0.00 0.19 0.76 -2.30 0.00 0.00 0.00 175.30 173.95 2fe0 n PRO 19 N -0.24 0.76 0.22 3.54 -0.02 -1.26 -4.90 135.00 133.10 2fe0 n PRO 19 Ca 0.03 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 2fe0 n PRO 19 Cb 0.53 -1.92 0.24 0.00 -0.02 0.00 0.00 33.50 32.33 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 0.50 0.00 -3.90 3.45 2.02 -1.93 -3.44 112.91 109.61 2fe0 h THR 20 Ca -0.46 -0.91 -0.69 0.00 0.77 0.00 0.00 66.41 65.12 2fe0 h THR 20 Cb 1.38 1.91 -0.22 0.00 -1.74 0.00 0.00 68.15 69.48 2fe0 h THR 20 CO 0.50 0.00 -0.75 0.12 0.37 0.00 0.00 175.52 175.76 2fe0 s PHE 21 N -3.24 2.77 -0.07 3.16 5.36 -1.26 -5.06 117.98 119.62 2fe0 s PHE 21 Ca 0.07 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.96 2fe0 s PHE 21 Cb 0.06 -1.64 0.01 0.00 -0.34 0.00 0.00 43.02 41.11 2fe0 s PHE 21 CO 0.65 0.24 -0.15 0.08 -1.46 0.00 0.00 175.22 174.59 2fe0 s VAL 22 N -0.78 1.34 0.00 3.12 1.01 -1.26 -5.04 120.40 118.79 2fe0 s VAL 22 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2fe0 s VAL 22 Cb -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2fe0 s VAL 22 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2fe0 n GLY 23 N 3.77 1.47 1.85 4.51 0.00 -1.26 -4.92 105.19 110.61 2fe0 n GLY 23 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2fe0 n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fe0 n GLU 24 N 0.00 0.00 -3.32 1.61 -0.58 0.18 -4.86 120.64 113.68 2fe0 n GLU 24 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2fe0 n GLU 24 Cb 0.00 -0.06 -0.06 0.00 -0.57 0.00 0.00 31.44 30.75 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2fe0 s GLU 25 N -1.74 4.31 -0.09 3.49 2.56 -0.86 -4.94 118.70 121.43 2fe0 s GLU 25 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 54.97 55.43 2fe0 s GLU 25 Cb 0.00 -3.45 -0.01 0.00 2.00 0.00 0.00 34.13 32.67 2fe0 s GLU 25 CO 0.00 0.12 -0.20 0.08 -0.56 0.00 0.00 175.26 174.70 2fe0 s VAL 26 N 0.75 2.45 -0.01 3.70 1.01 -1.26 -1.63 120.40 125.41 2fe0 s VAL 26 Ca 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2fe0 s VAL 26 Cb -0.15 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2fe0 s VAL 26 CO 0.10 0.56 0.02 -0.89 0.00 0.00 0.00 175.10 174.88 2fe0 s THR 27 N 0.05 -0.03 -0.10 3.92 2.01 -0.16 -4.94 115.64 116.39 2fe0 s THR 27 Ca -0.08 0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 2fe0 s THR 27 Cb -0.15 -0.06 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 2fe0 s THR 27 CO 0.05 0.06 0.40 -1.59 -0.69 0.00 0.00 174.62 172.85 2fe0 s LYS 28 N 0.70 4.19 0.00 4.92 -2.85 -1.26 0.29 119.74 125.73 2fe0 s LYS 28 Ca -0.06 0.32 -0.01 0.00 -1.00 0.00 0.00 55.97 55.22 2fe0 s LYS 28 Cb -0.08 -3.37 -0.01 0.00 -2.06 0.00 0.00 37.83 32.31 2fe0 s LYS 28 CO -0.02 0.33 0.80 0.78 0.10 0.00 0.00 175.35 177.35 2fe0 h GLY 29 N 6.15 -0.05 -5.04 0.59 0.00 -1.68 -3.43 103.07 99.61 2fe0 h GLY 29 Ca -0.44 0.02 -0.56 0.00 0.00 0.00 0.00 47.33 46.34 2fe0 h GLY 29 CO 0.72 -0.02 0.02 -1.36 0.00 0.00 0.00 176.54 175.90 2fe0 s PHE 30 N -2.67 3.61 -2.08 5.60 0.08 -1.26 -4.94 117.98 116.33 2fe0 s PHE 30 Ca -0.01 1.18 0.19 0.00 0.12 0.00 0.00 56.93 58.42 2fe0 s PHE 30 Cb 0.00 -2.69 1.01 0.00 -0.57 0.00 0.00 43.02 40.76 2fe0 s PHE 30 CO 0.02 0.20 1.67 0.39 -0.10 0.00 0.00 175.22 177.40 2fe0 n GLU 31 N 3.33 1.21 -3.32 0.44 1.02 -1.26 -4.16 120.64 117.90 2fe0 n GLU 31 Ca -0.04 -0.32 -0.29 0.00 -0.02 0.00 0.00 57.16 56.49 2fe0 n GLU 31 Cb 0.51 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2fe0 s LYS 32 N -1.94 3.66 5.55 3.49 2.20 -1.26 -4.81 119.74 126.63 2fe0 s LYS 32 Ca 0.29 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2fe0 s LYS 32 Cb 0.14 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 2fe0 s LYS 32 CO 0.23 0.21 0.00 -3.47 -0.36 0.00 0.00 175.35 171.96 2fe0 n ASP 33 N -0.87 0.00 -1.02 1.43 2.03 -1.26 -2.05 116.55 114.81 2fe0 n ASP 33 Ca -0.01 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.36 2fe0 n ASP 33 Cb 0.54 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.16 2fe0 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2fe0 n ASN 34 N 0.68 2.94 0.00 1.67 6.94 -1.26 -4.85 115.26 121.38 2fe0 n ASN 34 Ca 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 2fe0 n ASN 34 Cb 0.00 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2fe0 n GLY 35 N 0.96 3.09 5.00 4.83 0.00 -0.87 -4.49 105.19 113.72 2fe0 n GLY 35 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.42 0.99 4.77 -1.26 -4.05 117.00 113.04 2fe0 n LEU 36 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2fe0 n LEU 36 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2fe0 n LEU 36 CO 0.00 0.00 -0.43 -0.22 -1.33 0.00 0.00 177.39 175.41 2fe0 s LEU 37 N 0.00 2.85 -0.20 2.23 2.96 -1.26 -3.34 118.68 121.92 2fe0 s LEU 37 Ca 0.00 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2fe0 s LEU 37 Cb 0.00 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2fe0 s LEU 37 CO 0.00 0.19 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.86 2fe0 s PHE 38 N 0.18 3.04 -0.42 5.38 0.08 -1.23 -2.45 117.98 122.56 2fe0 s PHE 38 Ca -0.06 -0.43 -0.28 0.00 0.12 0.00 0.00 56.93 56.28 2fe0 s PHE 38 Cb -0.15 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 2fe0 s PHE 38 CO 0.04 -0.21 1.05 0.50 -0.10 0.00 0.00 175.22 176.50 2fe0 s ARG 39 N 0.92 3.77 -0.19 0.44 3.52 0.83 -3.61 118.95 124.63 2fe0 s ARG 39 Ca 0.01 0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 56.09 2fe0 s ARG 39 Cb -0.14 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 2fe0 s ARG 39 CO 0.02 -1.18 0.15 0.42 -0.81 0.00 0.00 175.30 173.89 2fe0 s ILE 40 N 3.99 5.40 -0.06 4.11 1.01 -0.07 -0.98 121.20 134.60 2fe0 s ILE 40 Ca 0.43 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.32 2fe0 s ILE 40 Cb -0.10 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2fe0 s ILE 40 CO 0.25 0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 174.88 2fe0 s VAL 41 N 0.32 0.76 -0.44 2.92 1.01 -0.64 -0.45 120.40 123.87 2fe0 s VAL 41 Ca 0.09 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 2fe0 s VAL 41 Cb -0.11 -0.76 0.09 0.00 0.00 0.00 0.00 36.38 35.60 2fe0 s VAL 41 CO -0.01 0.28 0.30 0.21 0.00 0.00 0.00 175.10 175.88 2fe0 s ASN 42 N 1.06 5.71 0.51 3.32 3.04 -1.11 0.50 114.94 127.97 2fe0 s ASN 42 Ca -0.08 -1.58 0.20 0.00 0.04 0.00 0.00 52.86 51.43 2fe0 s ASN 42 Cb -0.14 -2.02 1.28 0.00 -1.54 0.00 0.00 41.25 38.83 2fe0 s ASN 42 CO -0.01 -0.59 2.05 0.11 -3.04 0.00 0.00 177.10 175.63 2fe0 h LYS 43 N 8.46 0.08 0.65 0.43 1.57 -1.91 3.70 116.57 129.55 2fe0 h LYS 43 Ca -0.23 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2fe0 h LYS 43 Cb 1.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2fe0 h LYS 43 CO 0.80 0.05 -0.40 -0.22 -0.57 0.00 0.00 179.45 179.11 2fe0 h LYS 44 N 0.08 -0.96 -0.02 3.15 3.64 -1.97 -3.14 116.57 117.36 2fe0 h LYS 44 Ca 0.16 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2fe0 h LYS 44 Cb 0.55 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2fe0 h LYS 44 CO -0.01 -0.64 -0.39 1.63 -2.27 0.00 0.00 179.45 177.77 2fe0 n LYS 45 N -5.54 1.35 -2.25 1.90 5.02 -0.96 -4.95 118.16 112.73 2fe0 n LYS 45 Ca -0.13 -1.10 -0.15 0.00 -2.02 0.00 0.00 58.31 54.91 2fe0 n LYS 45 Cb 0.42 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.13 -1.94 -3.65 1.97 4.76 1.22 -4.53 118.16 116.13 2fe0 n LYS 46 Ca 0.10 0.74 -0.36 0.00 -2.87 0.00 0.00 58.31 55.92 2fe0 n LYS 46 Cb 0.48 -5.30 -0.08 0.00 -1.84 0.00 0.00 35.03 28.29 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -4.71 4.16 0.27 1.97 -2.07 -1.15 -2.29 119.66 115.83 2fe0 s GLN 47 Ca 0.00 -0.16 -0.17 0.00 -1.82 0.00 0.00 55.36 53.21 2fe0 s GLN 47 Cb 0.00 -3.47 -0.09 0.00 -1.09 0.00 0.00 33.01 28.36 2fe0 s GLN 47 CO 0.00 0.17 0.73 -1.58 -1.32 0.00 0.00 175.29 173.29 2fe0 s TRP 48 N 0.71 3.51 -0.02 9.60 0.52 0.15 -2.76 118.94 130.65 2fe0 s TRP 48 Ca 0.10 1.29 -0.07 0.00 0.02 0.00 0.00 56.10 57.44 2fe0 s TRP 48 Cb -0.12 -2.57 0.01 0.00 -1.15 0.00 0.00 33.47 29.63 2fe0 s TRP 48 CO 0.02 0.21 0.15 0.00 0.02 0.00 0.00 176.95 177.36 2fe0 s ALA 49 N -1.76 -0.37 -0.02 0.98 0.00 0.40 -0.91 121.76 120.08 2fe0 s ALA 49 Ca 0.49 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.57 2fe0 s ALA 49 Cb -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2fe0 s ALA 49 CO 0.19 -0.17 -0.21 0.71 0.00 0.00 0.00 175.76 176.28 2fe0 s TYR 50 N -0.96 1.92 -0.10 0.00 2.02 -1.19 -0.89 117.35 118.16 2fe0 s TYR 50 Ca -0.10 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2fe0 s TYR 50 Cb -0.06 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 2fe0 s TYR 50 CO 0.01 -0.07 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.30 2fe0 s TYR 51 N -0.38 1.92 -0.15 2.71 5.04 -1.24 -3.39 117.35 121.86 2fe0 s TYR 51 Ca 0.05 -0.85 -0.13 0.00 -2.44 0.00 0.00 57.07 53.70 2fe0 s TYR 51 Cb -0.09 -1.37 -0.05 0.00 0.35 0.00 0.00 41.96 40.80 2fe0 s TYR 51 CO 0.00 -0.42 0.29 1.21 -1.34 0.00 0.00 175.55 175.29 2fe0 s ASN 52 N 0.83 6.46 -0.21 4.32 2.47 -1.25 -3.53 114.94 124.03 2fe0 s ASN 52 Ca -0.10 0.53 0.08 0.00 0.42 0.00 0.00 52.86 53.80 2fe0 s ASN 52 Cb -0.15 -2.18 -0.18 0.00 -1.45 0.00 0.00 41.25 37.28 2fe0 s ASN 52 CO 0.01 0.13 -0.08 -0.90 -3.72 0.00 0.00 177.10 172.54 2fe0 n ASP 53 N 3.36 1.45 -4.68 -4.21 5.75 -1.21 -2.53 116.55 114.49 2fe0 n ASP 53 Ca -0.12 -0.07 -0.44 0.00 -0.01 0.00 0.00 54.79 54.15 2fe0 n ASP 53 Cb 0.52 0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 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 -2.95 0.55 -0.36 2.12 -2.24 -1.26 -4.68 114.28 105.47 2fe0 n THR 54 Ca -0.36 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.40 2fe0 n THR 54 Cb 1.00 -2.13 0.32 0.00 -2.10 0.00 0.00 70.33 67.43 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 5.06 1.69 0.00 4.28 -2.24 -1.26 -4.00 114.28 117.81 2fe0 n THR 55 Ca 0.20 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2fe0 n THR 55 Cb 0.37 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.91 3.20 -4.11 -0.78 0.00 -1.26 -5.05 117.38 110.28 2fe0 n GLN 56 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.08 2fe0 n GLN 56 Cb 0.83 -0.57 -0.13 0.00 0.00 0.00 0.00 30.24 30.37 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 -0.92 0.61 0.11 2.61 2.02 -1.26 -3.45 117.35 117.08 2fe0 s TYR 57 Ca 0.00 -0.33 -0.10 0.00 -0.37 0.00 0.00 57.07 56.27 2fe0 s TYR 57 Cb 0.00 -0.38 -0.06 0.00 -0.40 0.00 0.00 41.96 41.12 2fe0 s TYR 57 CO 0.00 -0.05 0.44 -1.83 -1.57 0.00 0.00 175.55 172.54 2fe0 s GLU 58 N -0.98 3.79 -0.23 -0.62 -1.05 0.31 -4.62 118.70 115.30 2fe0 s GLU 58 Ca -0.05 0.22 -0.17 0.00 -0.15 0.00 0.00 54.97 54.82 2fe0 s GLU 58 Cb -0.07 -2.95 -0.03 0.00 -0.44 0.00 0.00 34.13 30.64 2fe0 s GLU 58 CO 0.00 0.52 0.45 -1.64 0.95 0.00 0.00 175.26 175.54 2fe0 s MET 59 N -2.05 4.11 -0.26 -4.83 -1.94 -1.11 -2.18 119.30 111.04 2fe0 s MET 59 Ca 0.36 0.24 -0.06 0.00 -1.71 0.00 0.00 55.69 54.51 2fe0 s MET 59 Cb -0.14 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.09 2fe0 s MET 59 CO 0.19 -0.20 0.05 -1.01 -0.01 0.00 0.00 175.02 174.04 2fe0 s HIS 60 N 1.83 3.09 -0.16 -0.03 3.76 -1.15 -1.65 115.29 120.98 2fe0 s HIS 60 Ca 0.20 -0.81 -0.09 0.00 -0.15 0.00 0.00 55.06 54.21 2fe0 s HIS 60 Cb -0.15 -2.21 -0.05 0.00 1.11 0.00 0.00 32.58 31.28 2fe0 s HIS 60 CO 0.09 -0.51 0.16 0.08 -0.85 0.00 0.00 174.74 173.71 2fe0 s VAL 61 N 1.53 5.43 -0.35 -0.90 1.01 -0.81 -2.87 120.40 123.44 2fe0 s VAL 61 Ca 0.04 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2fe0 s VAL 61 Cb -0.16 -3.47 0.14 0.00 0.00 0.00 0.00 36.38 32.90 2fe0 s VAL 61 CO 0.01 0.51 0.26 -0.22 0.00 0.00 0.00 175.10 175.67 2fe0 s LEU 62 N -0.25 0.55 -0.10 3.92 2.96 0.46 -2.54 118.68 123.67 2fe0 s LEU 62 Ca 0.12 -1.86 -0.00 0.00 -0.22 0.00 0.00 54.13 52.17 2fe0 s LEU 62 Cb -0.12 -0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.50 2fe0 s LEU 62 CO 0.02 -0.31 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.97 2fe0 s VAL 63 N 1.32 3.54 -0.09 1.68 1.01 -1.22 -0.57 120.40 126.07 2fe0 s VAL 63 Ca 0.17 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2fe0 s VAL 63 Cb -0.20 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2fe0 s VAL 63 CO -0.05 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.60 2fe0 s THR 64 N -0.23 3.23 0.33 3.92 2.01 0.62 -2.58 115.64 122.95 2fe0 s THR 64 Ca 0.03 -0.63 0.10 0.00 0.31 0.00 0.00 61.69 61.49 2fe0 s THR 64 Cb -0.13 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 2fe0 s THR 64 CO 0.03 0.56 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.08 2fe0 s PHE 65 N -0.20 2.44 0.46 4.92 0.40 0.58 -1.28 117.98 125.30 2fe0 s PHE 65 Ca 0.01 -0.46 -0.14 0.00 -0.60 0.00 0.00 56.93 55.75 2fe0 s PHE 65 Cb -0.13 -1.36 -0.07 0.00 0.51 0.00 0.00 43.02 41.96 2fe0 s PHE 65 CO 0.03 0.57 0.88 1.21 0.70 0.00 0.00 175.22 178.61 2fe0 s ASN 66 N -3.63 6.57 0.26 1.36 2.47 -1.26 -0.84 114.94 119.87 2fe0 s ASN 66 Ca 0.33 1.36 -0.02 0.00 0.42 0.00 0.00 52.86 54.95 2fe0 s ASN 66 Cb 0.01 -2.42 0.56 0.00 -1.45 0.00 0.00 41.25 37.95 2fe0 s ASN 66 CO 0.17 -0.50 1.69 -0.08 -3.72 0.00 0.00 177.10 174.66 2fe0 h GLU 67 N 1.06 0.30 -4.53 0.43 4.81 -1.73 -3.00 114.58 111.92 2fe0 h GLU 67 Ca -0.47 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.05 2fe0 h GLU 67 Cb 1.19 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 2fe0 h GLU 67 CO 0.63 0.20 2.84 -0.25 -0.73 0.00 0.00 179.01 181.69 2fe0 n ASP 68 N -5.13 4.10 -3.54 1.04 8.00 -1.26 -4.80 116.55 114.95 2fe0 n ASP 68 Ca 0.17 -2.85 -0.07 0.00 0.71 0.00 0.00 54.79 52.75 2fe0 n ASP 68 Cb 0.53 -1.67 -0.08 0.00 -0.02 0.00 0.00 41.12 39.89 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe0 s ASP 70 N 2.65 6.42 0.19 0.00 2.15 -1.20 -4.92 116.67 121.96 2fe0 s ASP 70 Ca 0.03 -2.26 0.10 0.00 0.43 0.00 0.00 52.55 50.85 2fe0 s ASP 70 Cb -0.13 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2fe0 s ASP 70 CO -0.15 -1.61 -0.21 0.27 -0.17 0.00 0.00 175.17 173.30 2fe0 s ILE 71 N 5.81 2.14 0.13 4.11 -4.36 -1.25 0.21 121.20 127.98 2fe0 s ILE 71 Ca 0.57 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 2fe0 s ILE 71 Cb 0.03 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 2fe0 s ILE 71 CO 0.09 -0.24 -0.03 -0.75 0.24 0.00 0.00 174.94 174.25 2fe0 s LYS 72 N -2.86 0.93 0.06 0.37 2.20 0.45 -4.95 119.74 115.95 2fe0 s LYS 72 Ca 0.20 -1.41 -0.08 0.00 -0.36 0.00 0.00 55.97 54.32 2fe0 s LYS 72 Cb -0.06 -0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 2fe0 s LYS 72 CO 0.09 -0.08 0.35 0.00 -0.36 0.00 0.00 175.35 175.35 2fe0 s ALA 73 N -3.69 3.78 0.00 3.13 0.00 -1.26 -1.10 121.76 122.62 2fe0 s ALA 73 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2fe0 s ALA 73 Cb 0.06 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.99 2fe0 s ALA 73 CO -0.01 0.61 0.00 1.28 0.00 0.00 0.00 175.76 177.63 2fe0 n LEU 74 N 0.86 0.00 0.00 0.00 4.77 -0.72 -4.85 117.00 117.07 2fe0 n LEU 74 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2fe0 n LEU 74 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2fe0 n LEU 74 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2fe0 n GLY 75 N 4.76 -2.72 0.00 -0.72 0.00 -1.25 -4.51 105.19 100.75 2fe0 n GLY 75 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -1.41 1.61 2.85 -1.26 -4.66 118.16 115.29 2fe0 n LYS 76 Ca 0.00 0.20 -0.57 0.00 -1.05 0.00 0.00 58.31 56.89 2fe0 n LYS 76 Cb 0.00 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 32.68 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N -1.14 0.10 -2.70 0.58 -1.04 -1.26 -4.85 114.28 103.97 2fe0 n THR 77 Ca 0.00 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 2fe0 n THR 77 Cb 0.10 -1.00 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 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 5.56 4.29 -0.12 -2.82 2.20 -1.18 -4.55 119.74 123.12 2fe0 s LYS 78 Ca 1.13 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2fe0 s LYS 78 Cb -1.22 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 31.47 2fe0 s LYS 78 CO 0.61 -0.54 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.77 2fe0 s LEU 79 N 2.87 2.77 0.03 5.43 2.96 -1.26 -3.39 118.68 128.09 2fe0 s LEU 79 Ca 0.44 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.87 2fe0 s LEU 79 Cb -0.16 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.95 2fe0 s LEU 79 CO 0.09 0.20 0.43 -1.83 -1.32 0.00 0.00 176.35 173.92 2fe0 s GLU 80 N 0.16 0.91 0.12 1.98 -1.05 -1.07 -5.01 118.70 114.74 2fe0 s GLU 80 Ca -0.07 -0.28 0.05 0.00 -0.15 0.00 0.00 54.97 54.53 2fe0 s GLU 80 Cb -0.15 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2fe0 s GLU 80 CO 0.05 -0.31 0.03 -1.14 0.95 0.00 0.00 175.26 174.85 2fe0 s GLN 81 N -2.23 2.62 0.39 -4.83 0.74 -1.26 -1.68 119.66 113.41 2fe0 s GLN 81 Ca -0.07 -0.89 0.08 0.00 0.05 0.00 0.00 55.36 54.53 2fe0 s GLN 81 Cb -0.01 -2.54 -0.02 0.00 1.10 0.00 0.00 33.01 31.53 2fe0 s GLN 81 CO -0.00 0.51 0.35 -0.65 -0.55 0.00 0.00 175.29 174.95 2fe0 s GLN 82 N -2.61 2.59 0.28 1.67 -1.52 -0.61 -4.95 119.66 114.51 2fe0 s GLN 82 Ca 0.28 -1.46 -0.01 0.00 -1.95 0.00 0.00 55.36 52.21 2fe0 s GLN 82 Cb -0.11 -2.41 0.39 0.00 -0.22 0.00 0.00 33.01 30.66 2fe0 s GLN 82 CO 0.20 -0.10 1.83 0.93 -0.25 0.00 0.00 175.29 177.90 2fe0 h GLU 83 N 1.10 0.86 -0.01 2.91 4.39 -2.00 -1.73 114.58 120.08 2fe0 h GLU 83 Ca -0.42 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2fe0 h GLU 83 Cb 1.26 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2fe0 h GLU 83 CO 0.57 0.75 0.02 -2.95 -1.16 0.00 0.00 179.01 176.24 2fe0 h ASN 84 N 0.83 0.00 -0.15 1.42 -0.00 -2.05 -3.45 115.58 112.17 2fe0 h ASN 84 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 2fe0 h ASN 84 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 2fe0 h ASN 84 CO -0.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.03 2fe0 n GLY 85 N -1.32 0.76 2.97 9.14 0.00 -0.65 -5.01 105.19 111.08 2fe0 n GLY 85 Ca -0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.06 0.25 -0.13 1.61 2.02 -1.25 -1.93 118.70 118.19 2fe0 s GLU 86 Ca 0.00 -0.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 2fe0 s GLU 86 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 2fe0 s GLU 86 CO 0.00 -0.04 0.12 -1.58 0.02 0.00 0.00 175.26 173.77 2fe0 s TRP 87 N -0.98 3.49 -0.04 1.61 0.52 -0.02 -1.57 118.94 121.96 2fe0 s TRP 87 Ca -0.11 0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.48 2fe0 s TRP 87 Cb -0.07 -1.96 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 2fe0 s TRP 87 CO -0.00 0.59 -0.17 0.08 0.02 0.00 0.00 176.95 177.47 2fe0 s VAL 88 N -0.70 1.42 -0.25 4.03 1.01 -0.68 -0.31 120.40 124.92 2fe0 s VAL 88 Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2fe0 s VAL 88 Cb -0.12 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.13 2fe0 s VAL 88 CO 0.03 0.41 0.10 0.00 0.00 0.00 0.00 175.10 175.64 2fe0 s ALA 89 N 0.03 0.77 0.03 5.51 0.00 -1.06 -2.61 121.76 124.43 2fe0 s ALA 89 Ca -0.04 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2fe0 s ALA 89 Cb -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2fe0 s ALA 89 CO 0.02 -1.48 -0.13 -1.54 0.00 0.00 0.00 175.76 172.63 2fe0 s SER 90 N 2.00 4.17 -0.12 0.00 1.04 -1.22 -3.38 113.70 116.20 2fe0 s SER 90 Ca 0.06 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 55.90 2fe0 s SER 90 Cb -0.16 -0.82 0.08 0.00 0.10 0.00 0.00 66.02 65.22 2fe0 s SER 90 CO -0.25 0.27 0.75 0.54 0.98 0.00 0.00 173.24 175.52 2fe0 s VAL 91 N -0.96 0.00 -0.13 5.02 0.11 -1.05 -3.13 120.40 120.26 2fe0 s VAL 91 Ca 0.16 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 2fe0 s VAL 91 Cb -0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2fe0 s VAL 91 CO 0.06 0.00 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.14 2fe0 s VAL 92 N -0.81 4.23 -0.10 2.04 1.01 -1.26 -1.91 120.40 123.59 2fe0 s VAL 92 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2fe0 s VAL 92 Cb -0.01 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2fe0 s VAL 92 CO 0.06 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.85 2fe0 s VAL 93 N -0.20 2.82 0.32 2.92 1.01 -0.66 -5.02 120.40 121.59 2fe0 s VAL 93 Ca 0.05 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2fe0 s VAL 93 Cb -0.13 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 2fe0 s VAL 93 CO 0.02 0.55 0.63 -0.31 0.00 0.00 0.00 175.10 175.99 2fe0 s TYR 94 N 0.03 3.47 0.59 5.22 2.02 -1.26 -2.74 117.35 124.67 2fe0 s TYR 94 Ca -0.06 0.80 -0.20 0.00 -0.37 0.00 0.00 57.07 57.25 2fe0 s TYR 94 Cb -0.15 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2fe0 s TYR 94 CO 0.05 0.08 1.26 -2.30 -1.57 0.00 0.00 175.55 173.06 2fe0 n PRO 95 N -0.99 1.34 -2.50 -1.71 -0.02 -1.26 -2.57 135.00 127.29 2fe0 n PRO 95 Ca -0.00 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.78 2fe0 n PRO 95 Cb 0.54 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fe0 s GLU 97 N -5.15 0.35 -0.16 0.00 2.02 -1.06 -5.04 118.70 109.65 2fe0 s GLU 97 Ca 0.05 0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2fe0 s GLU 97 Cb -0.02 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.28 2fe0 s GLU 97 CO 0.06 -0.10 -0.16 0.99 0.02 0.00 0.00 175.26 176.07 2fe0 s THR 98 N 0.72 2.52 0.32 3.63 2.01 -1.26 -3.93 115.64 119.65 2fe0 s THR 98 Ca -0.04 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.25 2fe0 s THR 98 Cb -0.06 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 2fe0 s THR 98 CO -0.05 0.52 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.68 2fe0 s GLU 99 N 0.95 1.82 0.48 4.92 0.41 -1.22 -4.92 118.70 121.14 2fe0 s GLU 99 Ca -0.03 -1.86 -0.16 0.00 -0.41 0.00 0.00 54.97 52.51 2fe0 s GLU 99 Cb -0.15 -1.76 -0.08 0.00 -1.78 0.00 0.00 34.13 30.36 2fe0 s GLU 99 CO -0.03 0.20 0.94 -1.64 -0.49 0.00 0.00 175.26 174.24 2fe0 s MET 100 N -3.60 3.96 0.00 1.61 -1.94 -1.26 -3.18 119.30 114.90 2fe0 s MET 100 Ca 0.32 0.89 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 2fe0 s MET 100 Cb -0.00 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.64 2fe0 s MET 100 CO 0.16 -0.18 0.00 0.34 -0.01 0.00 0.00 175.02 175.33 2fe0 n PHE 101 N -1.35 0.00 -4.16 -0.03 7.35 -0.09 -3.77 117.46 115.41 2fe0 n PHE 101 Ca 0.06 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.61 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 0.42 0.83 0.10 -2.13 -5.25 -1.25 -1.75 121.20 112.18 2fe0 s ILE 102 Ca 0.00 -1.62 0.04 0.00 -0.99 0.00 0.00 60.65 58.09 2fe0 s ILE 102 Cb 0.00 -1.31 -0.04 0.00 2.95 0.00 0.00 42.46 44.06 2fe0 s ILE 102 CO 0.00 -0.60 -0.11 -0.70 -1.79 0.00 0.00 174.94 171.74 2fe0 s GLU 103 N -2.83 0.89 0.00 0.37 2.12 -0.26 0.32 118.70 119.31 2fe0 s GLU 103 Ca 0.04 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.19 2fe0 s GLU 103 Cb -0.02 -0.63 0.00 0.00 0.26 0.00 0.00 34.13 33.74 2fe0 s GLU 103 CO -0.01 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 2fe0 n GLY 104 N 0.55 0.62 3.85 -1.50 0.00 -0.97 0.17 105.19 107.91 2fe0 n GLY 104 Ca -0.16 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.37 3.79 -0.04 1.61 3.52 0.55 -4.87 118.95 123.15 2fe0 s ARG 105 Ca 0.00 0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 2fe0 s ARG 105 Cb 0.00 -3.15 -0.00 0.00 -1.56 0.00 0.00 34.95 30.24 2fe0 s ARG 105 CO 0.00 0.66 -0.16 0.08 -0.81 0.00 0.00 175.30 175.07 2fe0 s VAL 106 N -1.18 1.33 -0.04 7.11 1.01 -1.26 -3.26 120.40 124.11 2fe0 s VAL 106 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2fe0 s VAL 106 Cb -0.15 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2fe0 s VAL 106 CO 0.14 0.39 0.07 0.54 0.00 0.00 0.00 175.10 176.23 2fe0 s ASN 107 N 0.01 0.89 -0.06 3.32 2.20 -1.26 -5.01 114.94 115.03 2fe0 s ASN 107 Ca -0.02 0.11 -0.03 0.00 -0.94 0.00 0.00 52.86 51.98 2fe0 s ASN 107 Cb -0.10 -0.07 0.01 0.00 -2.00 0.00 0.00 41.25 39.09 2fe0 s ASN 107 CO 0.02 -0.23 0.06 0.61 -2.94 0.00 0.00 177.10 174.62 2fe0 n GLY 108 N 5.10 -1.51 3.05 0.45 0.00 -1.26 -4.59 105.19 106.44 2fe0 n GLY 108 Ca -0.08 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.36 0.45 -0.17 1.61 -0.71 -1.26 -4.27 117.98 113.27 2fe0 s PHE 109 Ca -0.07 -0.86 -0.05 0.00 -1.04 0.00 0.00 56.93 54.90 2fe0 s PHE 109 Cb 0.00 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 2fe0 s PHE 109 CO 0.23 -0.30 0.01 0.15 -1.34 0.00 0.00 175.22 173.97 2fe0 s LYS 110 N -3.01 3.78 -0.11 1.99 1.02 -0.40 -4.98 119.74 118.03 2fe0 s LYS 110 Ca -0.01 -0.45 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 2fe0 s LYS 110 Cb 0.01 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2fe0 s LYS 110 CO -0.06 0.23 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.38 2fe0 s SER 111 N 0.44 4.38 -0.05 2.83 0.01 -1.26 -0.28 113.70 119.78 2fe0 s SER 111 Ca -0.01 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 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 0.25 0.03 -0.75 0.41 0.00 0.00 173.24 173.20 2fe0 s LYS 112 N -0.15 0.19 0.29 12.44 2.20 0.27 -4.98 119.74 129.99 2fe0 s LYS 112 Ca 0.01 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2fe0 s LYS 112 Cb -0.13 -0.64 -0.05 0.00 -1.51 0.00 0.00 37.83 35.49 2fe0 s LYS 112 CO 0.03 -0.29 0.10 -1.64 -0.36 0.00 0.00 175.35 173.19 2fe0 s MET 113 N 1.91 1.52 0.30 4.03 -1.94 -1.26 -0.41 119.30 123.46 2fe0 s MET 113 Ca 0.02 -1.84 -0.20 0.00 -1.71 0.00 0.00 55.69 51.96 2fe0 s MET 113 Cb -0.12 -0.37 0.03 0.00 2.01 0.00 0.00 34.83 36.38 2fe0 s MET 113 CO -0.04 -0.31 0.75 0.34 -0.01 0.00 0.00 175.02 175.75 2fe0 s ASP 114 N -3.38 -0.18 -0.56 3.03 2.15 -1.14 -5.03 116.67 111.57 2fe0 s ASP 114 Ca 0.36 -0.75 0.04 0.00 0.43 0.00 0.00 52.55 52.63 2fe0 s ASP 114 Cb 0.07 0.75 0.14 0.00 -0.30 0.00 0.00 42.92 43.58 2fe0 s ASP 114 CO 0.15 -1.42 0.32 0.00 -0.17 0.00 0.00 175.17 174.04 2fe0 s ALA 115 N -3.43 3.29 0.30 3.66 0.00 -1.26 -2.95 121.76 121.36 2fe0 s ALA 115 Ca 0.12 -3.34 -0.13 0.00 0.00 0.00 0.00 51.96 48.62 2fe0 s ALA 115 Cb -0.06 -2.13 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 2fe0 s ALA 115 CO 0.08 -2.04 0.68 -0.51 0.00 0.00 0.00 175.76 173.97 2fe0 s LEU 116 N -0.51 4.09 0.52 0.00 1.43 -0.93 -4.84 118.68 118.43 2fe0 s LEU 116 Ca 0.19 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.25 2fe0 s LEU 116 Cb -0.20 -3.96 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 2fe0 s LEU 116 CO -0.04 -0.17 1.12 -2.16 0.23 0.00 0.00 176.35 175.32 2fe0 s PRO 117 N -2.97 3.50 0.06 1.29 0.04 -1.26 0.12 135.00 135.78 2fe0 s PRO 117 Ca 0.52 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2fe0 s PRO 117 Cb -0.10 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2fe0 s PRO 117 CO 0.19 -0.72 1.31 -0.51 0.04 0.00 0.00 177.00 177.31 2fe0 s LEU 118 N -3.62 4.35 0.00 -3.56 1.43 -1.22 -4.60 118.68 111.47 2fe0 s LEU 118 Ca 0.70 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 2fe0 s LEU 118 Cb -0.23 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.42 2fe0 s LEU 118 CO 0.27 -0.60 0.06 -1.20 0.23 0.00 0.00 176.35 175.11 2fe0 n SER 119 N 4.33 0.10 0.18 2.29 7.64 -1.26 -4.94 113.62 121.96 2fe0 n SER 119 Ca 0.11 -1.08 0.05 0.00 1.01 0.00 0.00 58.87 58.96 2fe0 n SER 119 Cb 0.44 -0.04 0.50 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.12 -0.98 1.43 4.11 -2.00 -2.16 114.58 115.10 2fe0 h GLU 120 Ca -0.02 -0.02 0.09 0.00 0.07 0.00 0.00 59.36 59.48 2fe0 h GLU 120 Cb 0.08 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2fe0 h GLU 120 CO 0.02 0.21 0.63 0.93 0.07 0.00 0.00 179.01 180.87 2fe0 h GLU 121 N 0.12 1.03 -0.52 1.06 5.08 -2.00 -1.07 114.58 118.29 2fe0 h GLU 121 Ca 0.03 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2fe0 h GLU 121 Cb 0.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2fe0 h GLU 121 CO 0.01 0.68 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.73 2fe0 h TYR 122 N 1.07 1.07 -0.83 4.33 3.20 -1.75 -1.66 116.97 122.39 2fe0 h TYR 122 Ca 0.45 -0.21 0.08 0.00 3.14 0.00 0.00 58.73 62.19 2fe0 h TYR 122 Cb 0.31 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 2fe0 h TYR 122 CO -0.00 1.00 0.49 0.00 -1.64 0.00 0.00 178.16 178.00 2fe0 h ARG 123 N 0.83 0.83 -0.35 1.82 2.47 -1.15 -1.30 114.38 117.53 2fe0 h ARG 123 Ca 0.14 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 58.66 2fe0 h ARG 123 Cb 0.61 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2fe0 h ARG 123 CO 0.04 0.55 -0.39 0.37 0.56 0.00 0.00 179.97 181.10 2fe0 h GLN 124 N 0.85 0.85 -0.34 0.04 4.15 -1.19 0.11 115.11 119.58 2fe0 h GLN 124 Ca 0.38 -0.45 0.10 0.00 0.77 0.00 0.00 58.65 59.46 2fe0 h GLN 124 Cb 0.28 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2fe0 h GLN 124 CO -0.22 1.09 0.27 1.25 -1.93 0.00 0.00 178.83 179.29 2fe0 h HIS 125 N 0.70 0.00 0.04 3.99 2.76 -0.28 0.25 115.15 122.60 2fe0 h HIS 125 Ca 0.06 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.87 2fe0 h HIS 125 Cb 0.96 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 2fe0 h HIS 125 CO 0.06 0.00 -2.14 1.04 -1.30 0.00 0.00 177.93 175.59 2fe0 n GLN 126 N -4.21 0.69 -0.04 5.26 1.13 -0.84 -4.06 117.38 115.31 2fe0 n GLN 126 Ca 0.05 0.18 -0.03 0.00 -1.94 0.00 0.00 57.00 55.27 2fe0 n GLN 126 Cb 0.44 -1.64 0.21 0.00 0.11 0.00 0.00 30.24 29.37 2fe0 n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fe0 h ALA 127 N 0.47 1.18 -0.01 -1.58 0.00 0.09 -2.35 119.26 117.06 2fe0 h ALA 127 Ca -0.46 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 2fe0 h ALA 127 Cb 2.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 2fe0 h ALA 127 CO 0.03 0.53 -0.28 1.05 0.00 0.00 0.00 179.25 180.58 2fe0 h GLU 128 N 0.57 0.02 -0.81 0.00 4.11 -0.71 -2.53 114.58 115.23 2fe0 h GLU 128 Ca 0.11 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.61 2fe0 h GLU 128 Cb 0.49 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2fe0 h GLU 128 CO 0.03 0.30 0.53 0.87 0.07 0.00 0.00 179.01 180.81 2fe0 h LYS 129 N 0.02 0.80 -6.07 1.06 1.79 -1.56 -3.46 116.57 109.15 2fe0 h LYS 129 Ca 0.00 -0.05 -0.42 0.00 -2.18 0.00 0.00 60.65 58.00 2fe0 h LYS 129 Cb 0.51 -0.18 0.05 0.00 -1.58 0.00 0.00 32.23 31.03 2fe0 h LYS 129 CO 0.04 0.53 -0.78 -0.25 -1.08 0.00 0.00 179.45 177.91 2fe0 n ASP 130 N -4.50 -3.13 0.00 0.86 8.00 -0.95 -5.15 116.55 111.68 2fe0 n ASP 130 Ca 0.13 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2fe0 n ASP 130 Cb 0.27 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98