#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 -1.79 0.00 -5.12 0.00 -1.26 -3.76 105.19 93.26 2fe0 n GLY 2 Ca 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.07 0.53 0.26 0.00 0.00 -1.25 -4.94 105.19 99.73 2fe0 n GLY 4 Ca 0.02 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 1.66 -2.62 4.61 0.00 -1.85 -3.48 119.26 117.58 2fe0 h ALA 5 Ca 0.00 -0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.15 2fe0 h ALA 5 Cb 0.32 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2fe0 h ALA 5 CO 0.00 0.10 -0.42 0.43 0.00 0.00 0.00 179.25 179.36 2fe0 n SER 6 N -4.14 -7.02 -4.72 0.00 7.64 -1.26 -4.78 113.62 99.33 2fe0 n SER 6 Ca -0.03 1.24 -0.30 0.00 1.01 0.00 0.00 58.87 60.79 2fe0 n SER 6 Cb 0.16 -3.58 0.13 0.00 -1.01 0.00 0.00 64.21 59.91 2fe0 n SER 6 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2fe0 s SER 7 N -6.01 3.74 0.08 6.43 1.04 -1.26 -5.07 113.70 112.66 2fe0 s SER 7 Ca 0.00 1.76 -0.03 0.00 0.48 0.00 0.00 55.95 58.16 2fe0 s SER 7 Cb 0.00 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 2fe0 s SER 7 CO 0.00 -2.51 0.05 -1.83 0.98 0.00 0.00 173.24 169.93 2fe0 s GLU 8 N -4.85 0.76 0.57 4.02 -1.05 -1.26 -5.16 118.70 111.73 2fe0 s GLU 8 Ca 0.63 -1.22 -0.14 0.00 -0.15 0.00 0.00 54.97 54.10 2fe0 s GLU 8 Cb -0.19 0.25 -0.06 0.00 -0.44 0.00 0.00 34.13 33.70 2fe0 s GLU 8 CO 0.57 -0.19 1.01 -0.80 0.95 0.00 0.00 175.26 176.80 2fe0 s ASN 9 N -2.94 6.39 0.08 0.83 0.01 -1.26 -5.09 114.94 112.97 2fe0 s ASN 9 Ca 0.11 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 53.79 2fe0 s ASN 9 Cb 0.07 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 2fe0 s ASN 9 CO -0.07 -0.75 -0.09 -0.94 -1.51 0.00 0.00 177.10 173.74 2fe0 s SER 10 N -3.62 1.19 0.00 -1.22 1.04 -1.26 -5.16 113.70 104.67 2fe0 s SER 10 Ca 0.57 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2fe0 s SER 10 Cb -0.11 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2fe0 s SER 10 CO 0.43 -0.30 0.00 -1.54 0.98 0.00 0.00 173.24 172.81 2fe0 n SER 11 N 0.68 0.00 -4.07 7.02 3.41 -1.26 -5.12 113.62 114.29 2fe0 n SER 11 Ca -0.17 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.23 2fe0 n SER 11 Cb 0.58 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2fe0 s VAL 12 N 4.01 0.94 0.03 -3.33 1.01 -1.26 -5.03 120.40 116.77 2fe0 s VAL 12 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2fe0 s VAL 12 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2fe0 s VAL 12 CO 0.00 0.27 -0.06 0.28 0.00 0.00 0.00 175.10 175.58 2fe0 s THR 13 N -0.26 0.43 0.23 3.92 -1.32 -1.26 -5.16 115.64 112.21 2fe0 s THR 13 Ca 0.04 -0.86 0.03 0.00 -1.21 0.00 0.00 61.69 59.69 2fe0 s THR 13 Cb -0.05 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2fe0 s THR 13 CO -0.00 -0.30 0.01 -0.31 -2.21 0.00 0.00 174.62 171.80 2fe0 s TYR 14 N -1.12 1.52 0.24 9.09 2.02 -1.26 -5.02 117.35 122.81 2fe0 s TYR 14 Ca -0.09 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 2fe0 s TYR 14 Cb -0.08 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 2fe0 s TYR 14 CO 0.00 -0.08 0.00 1.55 -1.57 0.00 0.00 175.55 175.45 2fe0 n VAL 15 N -0.40 0.00 0.26 0.71 3.14 -1.26 -4.87 118.33 115.90 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 0.64 -0.34 0.65 0.00 -1.06 0.00 0.00 33.84 33.73 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 -1.98 -3.46 115.58 119.04 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 2fe0 n GLY 17 N -1.38 1.63 3.91 2.83 0.00 -1.26 -4.96 105.19 105.96 2fe0 n GLY 17 Ca -0.03 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2fe0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe0 s ARG 18 N -2.00 3.59 0.08 1.61 3.00 -1.26 -4.84 118.95 119.14 2fe0 s ARG 18 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 55.73 55.29 2fe0 s ARG 18 Cb 0.00 -2.73 -0.06 0.00 0.00 0.00 0.00 34.95 32.16 2fe0 s ARG 18 CO 0.00 0.30 1.08 -1.25 0.00 0.00 0.00 175.30 175.43 2fe0 s PRO 19 N -3.42 4.54 0.39 3.54 0.04 -1.26 -4.94 135.00 133.90 2fe0 s PRO 19 Ca 0.42 1.62 0.12 0.00 0.04 0.00 0.00 61.00 63.20 2fe0 s PRO 19 Cb -0.11 -3.36 0.81 0.00 0.04 0.00 0.00 34.50 31.88 2fe0 s PRO 19 CO 0.29 -0.05 1.89 1.15 0.04 0.00 0.00 177.00 180.32 2fe0 h THR 20 N 4.31 1.21 -3.46 1.26 2.02 -1.95 -3.41 112.91 112.87 2fe0 h THR 20 Ca -0.42 -0.97 -0.67 0.00 0.77 0.00 0.00 66.41 65.12 2fe0 h THR 20 Cb 1.21 1.47 -0.19 0.00 -1.74 0.00 0.00 68.15 68.90 2fe0 h THR 20 CO 0.76 0.28 -0.67 0.12 0.37 0.00 0.00 175.52 176.38 2fe0 s PHE 21 N -4.45 3.01 -0.05 3.16 5.36 -1.26 -5.11 117.98 118.64 2fe0 s PHE 21 Ca -0.04 -0.06 -0.00 0.00 -0.96 0.00 0.00 56.93 55.87 2fe0 s PHE 21 Cb 0.15 -1.81 0.03 0.00 -0.34 0.00 0.00 43.02 41.04 2fe0 s PHE 21 CO 0.72 0.23 -0.01 0.08 -1.46 0.00 0.00 175.22 174.78 2fe0 s VAL 22 N -0.41 0.37 0.00 3.12 1.01 -1.26 -5.00 120.40 118.23 2fe0 s VAL 22 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2fe0 s VAL 22 Cb -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2fe0 s VAL 22 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2fe0 n GLY 23 N 4.58 0.41 0.00 4.51 0.00 -1.26 -4.96 105.19 108.48 2fe0 n GLY 23 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2fe0 n GLY 23 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fe0 n GLU 24 N 0.00 0.00 -3.82 1.61 -0.00 -0.58 -4.91 120.64 112.94 2fe0 n GLU 24 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.16 56.80 2fe0 n GLU 24 Cb 0.00 -0.40 -0.10 0.00 -0.00 0.00 0.00 31.44 30.94 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2fe0 s GLU 25 N -1.00 3.99 -0.04 3.44 2.56 -1.13 -5.01 118.70 121.51 2fe0 s GLU 25 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.97 54.66 2fe0 s GLU 25 Cb 0.00 -3.37 0.02 0.00 2.00 0.00 0.00 34.13 32.78 2fe0 s GLU 25 CO 0.00 0.13 -0.05 0.08 -0.56 0.00 0.00 175.26 174.86 2fe0 s VAL 26 N 0.80 0.59 -0.07 3.70 1.01 -1.25 -2.24 120.40 122.94 2fe0 s VAL 26 Ca 0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2fe0 s VAL 26 Cb -0.13 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2fe0 s VAL 26 CO 0.02 0.23 0.29 0.28 0.00 0.00 0.00 175.10 175.92 2fe0 s THR 27 N 0.75 0.03 -0.03 3.92 -1.32 -1.19 -4.93 115.64 112.86 2fe0 s THR 27 Ca -0.11 -0.22 -0.22 0.00 -1.21 0.00 0.00 61.69 59.93 2fe0 s THR 27 Cb -0.13 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 2fe0 s THR 27 CO 0.01 -0.12 0.64 -1.59 -2.21 0.00 0.00 174.62 171.34 2fe0 s LYS 28 N -0.48 4.38 0.01 7.08 -2.85 -1.26 0.04 119.74 126.66 2fe0 s LYS 28 Ca -0.06 0.79 -0.07 0.00 -1.00 0.00 0.00 55.97 55.64 2fe0 s LYS 28 Cb -0.04 -3.39 -0.04 0.00 -2.06 0.00 0.00 37.83 32.31 2fe0 s LYS 28 CO 0.02 0.23 1.00 0.78 0.10 0.00 0.00 175.35 177.48 2fe0 h GLY 29 N 6.13 -0.25 -5.51 0.59 0.00 -1.59 -3.42 103.07 99.02 2fe0 h GLY 29 Ca -0.43 0.09 -0.58 0.00 0.00 0.00 0.00 47.33 46.41 2fe0 h GLY 29 CO 0.72 -0.09 0.05 -1.36 0.00 0.00 0.00 176.54 175.87 2fe0 s PHE 30 N -3.33 3.48 0.40 5.60 0.08 -1.26 -4.95 117.98 118.01 2fe0 s PHE 30 Ca -0.03 1.04 0.12 0.00 0.12 0.00 0.00 56.93 58.18 2fe0 s PHE 30 Cb 0.00 -2.75 0.83 0.00 -0.57 0.00 0.00 43.02 40.54 2fe0 s PHE 30 CO 0.10 0.00 1.91 0.93 -0.10 0.00 0.00 175.22 178.07 2fe0 h GLU 31 N 7.03 0.10 -6.97 0.44 5.08 -1.90 -3.40 114.58 114.96 2fe0 h GLU 31 Ca -0.37 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.43 2fe0 h GLU 31 Cb 1.17 -0.01 0.09 0.00 0.50 0.00 0.00 28.75 30.50 2fe0 h GLU 31 CO 0.76 0.32 0.62 0.21 -1.00 0.00 0.00 179.01 179.92 2fe0 s LYS 32 N -4.54 3.83 0.17 2.33 2.47 -1.26 -4.73 119.74 118.01 2fe0 s LYS 32 Ca -0.04 2.17 0.00 0.00 -1.56 0.00 0.00 55.97 56.54 2fe0 s LYS 32 Cb 0.15 -2.66 0.00 0.00 -1.46 0.00 0.00 37.83 33.86 2fe0 s LYS 32 CO 0.72 -0.61 0.00 -0.25 0.16 0.00 0.00 175.35 175.37 2fe0 n ASP 33 N -0.08 -4.27 -0.20 1.43 8.00 -1.26 -3.86 116.55 116.31 2fe0 n ASP 33 Ca 0.05 0.29 0.24 0.00 0.71 0.00 0.00 54.79 56.08 2fe0 n ASP 33 Cb 0.44 -2.18 0.62 0.00 -0.02 0.00 0.00 41.12 39.98 2fe0 n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2fe0 h ASN 34 N -0.67 0.19 0.00 -2.24 7.08 -1.92 -3.43 115.58 114.60 2fe0 h ASN 34 Ca 0.01 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2fe0 h ASN 34 Cb 0.66 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 2fe0 h ASN 34 CO 0.01 0.07 0.00 0.61 -2.08 0.00 0.00 177.43 176.04 2fe0 n GLY 35 N -1.61 0.28 5.00 9.14 0.00 -1.25 -5.00 105.19 111.74 2fe0 n GLY 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.02 0.99 4.77 -1.26 -4.10 117.00 113.37 2fe0 n LEU 36 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2fe0 n LEU 36 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2fe0 n LEU 36 CO 0.00 0.00 -0.45 -0.22 -1.33 0.00 0.00 177.39 175.39 2fe0 s LEU 37 N 0.00 1.74 -0.11 2.23 2.96 -1.26 -2.82 118.68 121.41 2fe0 s LEU 37 Ca 0.00 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2fe0 s LEU 37 Cb 0.00 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2fe0 s LEU 37 CO 0.00 0.07 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.70 2fe0 s PHE 38 N 0.33 3.03 -0.57 5.38 0.40 -1.21 -2.10 117.98 123.23 2fe0 s PHE 38 Ca -0.07 -0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 55.96 2fe0 s PHE 38 Cb -0.11 -1.84 0.06 0.00 0.51 0.00 0.00 43.02 41.63 2fe0 s PHE 38 CO 0.02 0.20 0.87 0.50 0.70 0.00 0.00 175.22 177.50 2fe0 s ARG 39 N -0.29 3.21 -0.26 0.44 3.52 0.11 -3.41 118.95 122.27 2fe0 s ARG 39 Ca 0.05 -0.60 -0.16 0.00 -0.13 0.00 0.00 55.73 54.90 2fe0 s ARG 39 Cb -0.13 -4.12 -0.03 0.00 -1.56 0.00 0.00 34.95 29.11 2fe0 s ARG 39 CO 0.02 -1.52 0.41 0.42 -0.81 0.00 0.00 175.30 173.82 2fe0 s ILE 40 N 3.64 5.15 -0.06 4.11 1.01 -0.29 -3.15 121.20 131.61 2fe0 s ILE 40 Ca 0.24 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.58 2fe0 s ILE 40 Cb -0.16 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2fe0 s ILE 40 CO 0.15 0.15 -0.13 -0.69 0.00 0.00 0.00 174.94 174.42 2fe0 s VAL 41 N 2.04 1.15 -0.41 2.92 1.01 -0.95 -0.15 120.40 126.01 2fe0 s VAL 41 Ca 0.17 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 2fe0 s VAL 41 Cb -0.16 -1.05 0.10 0.00 0.00 0.00 0.00 36.38 35.28 2fe0 s VAL 41 CO 0.09 0.36 0.22 0.21 0.00 0.00 0.00 175.10 175.98 2fe0 s ASN 42 N 0.60 5.37 0.45 3.32 3.04 -1.12 -1.53 114.94 125.07 2fe0 s ASN 42 Ca -0.14 -1.86 0.19 0.00 0.04 0.00 0.00 52.86 51.09 2fe0 s ASN 42 Cb -0.15 -1.88 1.15 0.00 -1.54 0.00 0.00 41.25 38.83 2fe0 s ASN 42 CO 0.04 -0.55 1.93 0.11 -3.04 0.00 0.00 177.10 175.59 2fe0 h LYS 43 N 8.18 0.30 0.00 0.43 1.57 -1.93 2.51 116.57 127.62 2fe0 h LYS 43 Ca -0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2fe0 h LYS 43 Cb 1.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2fe0 h LYS 43 CO 0.72 0.20 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.48 2fe0 h LYS 44 N 0.31 -0.12 -0.01 3.15 3.64 -1.98 -2.86 116.57 118.70 2fe0 h LYS 44 Ca 0.36 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2fe0 h LYS 44 Cb 0.96 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2fe0 h LYS 44 CO -0.10 -0.08 -0.21 1.63 -2.27 0.00 0.00 179.45 178.42 2fe0 n LYS 45 N -3.04 1.16 -2.76 1.90 4.76 -1.04 -4.93 118.16 114.20 2fe0 n LYS 45 Ca -0.01 -0.75 -0.19 0.00 -2.87 0.00 0.00 58.31 54.48 2fe0 n LYS 45 Cb 0.07 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 -0.26 -3.04 -3.74 1.97 4.76 0.84 -4.45 118.16 114.24 2fe0 n LYS 46 Ca 0.13 0.76 -0.36 0.00 -2.87 0.00 0.00 58.31 55.98 2fe0 n LYS 46 Cb 0.38 -5.47 -0.09 0.00 -1.84 0.00 0.00 35.03 28.01 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 -5.40 4.09 0.27 1.97 -2.07 -1.13 -1.97 119.66 115.42 2fe0 s GLN 47 Ca 0.16 -0.27 -0.16 0.00 -1.82 0.00 0.00 55.36 53.27 2fe0 s GLN 47 Cb -0.08 -3.44 -0.08 0.00 -1.09 0.00 0.00 33.01 28.32 2fe0 s GLN 47 CO 0.19 0.18 0.70 -1.58 -1.32 0.00 0.00 175.29 173.47 2fe0 s TRP 48 N 0.70 3.49 -0.01 9.60 0.52 0.21 -2.80 118.94 130.66 2fe0 s TRP 48 Ca 0.07 1.24 -0.10 0.00 0.02 0.00 0.00 56.10 57.34 2fe0 s TRP 48 Cb -0.12 -2.53 0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2fe0 s TRP 48 CO 0.01 0.22 0.20 0.00 0.02 0.00 0.00 176.95 177.40 2fe0 s ALA 49 N -1.77 -0.49 0.01 0.98 0.00 0.79 -1.29 121.76 120.01 2fe0 s ALA 49 Ca 0.48 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.57 2fe0 s ALA 49 Cb -0.13 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2fe0 s ALA 49 CO 0.19 -0.22 -0.21 0.71 0.00 0.00 0.00 175.76 176.23 2fe0 s TYR 50 N -1.29 1.87 -0.12 0.00 2.02 -1.20 -1.14 117.35 117.48 2fe0 s TYR 50 Ca -0.14 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2fe0 s TYR 50 Cb -0.07 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 2fe0 s TYR 50 CO 0.02 0.03 -0.15 -0.47 -1.57 0.00 0.00 175.55 173.42 2fe0 s TYR 51 N -0.65 2.03 -0.12 2.71 5.04 -1.22 -3.62 117.35 121.52 2fe0 s TYR 51 Ca 0.08 -1.02 -0.14 0.00 -2.44 0.00 0.00 57.07 53.55 2fe0 s TYR 51 Cb -0.08 -1.48 -0.05 0.00 0.35 0.00 0.00 41.96 40.70 2fe0 s TYR 51 CO 0.01 -0.54 0.33 1.21 -1.34 0.00 0.00 175.55 175.21 2fe0 s ASN 52 N 1.18 6.55 -0.08 4.32 2.47 -1.25 -3.35 114.94 124.77 2fe0 s ASN 52 Ca -0.02 0.65 0.08 0.00 0.42 0.00 0.00 52.86 53.99 2fe0 s ASN 52 Cb -0.14 -2.20 -0.12 0.00 -1.45 0.00 0.00 41.25 37.34 2fe0 s ASN 52 CO -0.05 0.16 0.05 -0.90 -3.72 0.00 0.00 177.10 172.64 2fe0 n ASP 53 N 3.09 2.73 -4.66 -4.21 5.68 -1.13 -3.41 116.55 114.65 2fe0 n ASP 53 Ca -0.12 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.75 2fe0 n ASP 53 Cb 0.52 0.80 -0.03 0.00 -1.14 0.00 0.00 41.12 41.27 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2fe0 s THR 54 N -2.27 3.21 -1.31 2.12 -4.23 -1.26 -4.66 115.64 107.24 2fe0 s THR 54 Ca -0.04 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.86 2fe0 s THR 54 Cb 0.03 -3.17 0.56 0.00 1.34 0.00 0.00 72.50 71.26 2fe0 s THR 54 CO 0.38 -0.03 1.44 0.35 -0.54 0.00 0.00 174.62 176.22 2fe0 n THR 55 N 5.70 1.36 0.00 3.99 -2.24 -1.26 -3.91 114.28 117.92 2fe0 n THR 55 Ca 0.20 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2fe0 n THR 55 Cb 0.42 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.88 3.43 -4.09 -0.78 0.00 -1.26 -5.06 117.38 110.50 2fe0 n GLN 56 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.06 2fe0 n GLN 56 Cb 0.70 -0.48 -0.12 0.00 0.00 0.00 0.00 30.24 30.34 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 -0.79 0.62 0.12 2.61 2.02 -1.25 -3.68 117.35 117.01 2fe0 s TYR 57 Ca 0.00 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 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 -0.06 0.46 -1.83 -1.57 0.00 0.00 175.55 172.55 2fe0 s GLU 58 N -1.19 3.82 -0.27 -0.62 -1.05 0.14 -4.62 118.70 114.90 2fe0 s GLU 58 Ca -0.07 0.26 -0.16 0.00 -0.15 0.00 0.00 54.97 54.85 2fe0 s GLU 58 Cb -0.08 -2.92 -0.03 0.00 -0.44 0.00 0.00 34.13 30.66 2fe0 s GLU 58 CO 0.00 0.50 0.44 -1.64 0.95 0.00 0.00 175.26 175.51 2fe0 s MET 59 N -2.10 4.02 -0.23 -4.83 -1.94 -0.96 -2.48 119.30 110.78 2fe0 s MET 59 Ca 0.37 0.16 -0.05 0.00 -1.71 0.00 0.00 55.69 54.46 2fe0 s MET 59 Cb -0.14 -3.66 -0.01 0.00 2.01 0.00 0.00 34.83 33.03 2fe0 s MET 59 CO 0.19 -0.32 -0.00 -1.01 -0.01 0.00 0.00 175.02 173.87 2fe0 s HIS 60 N 2.19 3.01 -0.16 -0.03 3.76 -1.19 -0.91 115.29 121.96 2fe0 s HIS 60 Ca 0.18 -0.79 -0.07 0.00 -0.15 0.00 0.00 55.06 54.23 2fe0 s HIS 60 Cb -0.16 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2fe0 s HIS 60 CO 0.10 -0.49 0.08 0.08 -0.85 0.00 0.00 174.74 173.65 2fe0 s VAL 61 N 1.52 4.94 -0.34 -0.90 1.01 -0.62 -3.00 120.40 123.01 2fe0 s VAL 61 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2fe0 s VAL 61 Cb -0.15 -3.19 0.14 0.00 0.00 0.00 0.00 36.38 33.18 2fe0 s VAL 61 CO -0.01 0.52 0.24 -0.22 0.00 0.00 0.00 175.10 175.62 2fe0 s LEU 62 N -0.14 0.66 -0.12 3.92 2.96 -0.50 -2.43 118.68 123.03 2fe0 s LEU 62 Ca 0.08 -1.90 -0.01 0.00 -0.22 0.00 0.00 54.13 52.08 2fe0 s LEU 62 Cb -0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 2fe0 s LEU 62 CO 0.01 -0.32 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.93 2fe0 s VAL 63 N 1.32 3.34 -0.13 1.68 1.01 -1.21 -0.70 120.40 125.71 2fe0 s VAL 63 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2fe0 s VAL 63 Cb -0.20 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2fe0 s VAL 63 CO -0.06 0.53 -0.04 -0.89 0.00 0.00 0.00 175.10 174.64 2fe0 s THR 64 N 0.16 3.87 0.23 3.92 2.01 0.21 -2.73 115.64 123.30 2fe0 s THR 64 Ca -0.05 -0.38 0.10 0.00 0.31 0.00 0.00 61.69 61.67 2fe0 s THR 64 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 2fe0 s THR 64 CO 0.04 0.53 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.00 2fe0 s PHE 65 N -0.06 2.47 0.56 4.92 0.40 0.32 0.77 117.98 127.36 2fe0 s PHE 65 Ca 0.01 -0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 2fe0 s PHE 65 Cb -0.13 -1.15 -0.06 0.00 0.51 0.00 0.00 43.02 42.19 2fe0 s PHE 65 CO 0.03 0.59 1.01 1.21 0.70 0.00 0.00 175.22 178.75 2fe0 s ASN 66 N -3.13 6.35 0.27 1.36 2.47 -1.04 -0.08 114.94 121.14 2fe0 s ASN 66 Ca 0.26 1.57 -0.00 0.00 0.42 0.00 0.00 52.86 55.11 2fe0 s ASN 66 Cb -0.07 -2.50 0.62 0.00 -1.45 0.00 0.00 41.25 37.85 2fe0 s ASN 66 CO 0.15 -0.78 1.68 -0.08 -3.72 0.00 0.00 177.10 174.35 2fe0 h GLU 67 N 0.46 0.31 -4.18 0.43 4.81 -1.68 -2.92 114.58 111.80 2fe0 h GLU 67 Ca -0.46 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.06 2fe0 h GLU 67 Cb 1.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2fe0 h GLU 67 CO 0.61 0.21 2.86 -0.25 -0.73 0.00 0.00 179.01 181.70 2fe0 n ASP 68 N -5.12 3.46 -3.44 1.04 8.00 -1.26 -4.77 116.55 114.46 2fe0 n ASP 68 Ca 0.19 -2.79 -0.06 0.00 0.71 0.00 0.00 54.79 52.84 2fe0 n ASP 68 Cb 0.58 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.12 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fe0 n ASP 70 N 5.39 4.59 -4.45 0.00 2.03 -1.13 -4.92 116.55 118.06 2fe0 n ASP 70 Ca -0.05 -2.89 -0.26 0.00 0.52 0.00 0.00 54.79 52.11 2fe0 n ASP 70 Cb 0.50 -1.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.07 2fe0 n ASP 70 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2fe0 s ILE 71 N 4.41 2.47 0.16 5.18 -4.36 -1.24 0.15 121.20 127.97 2fe0 s ILE 71 Ca 0.53 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 2fe0 s ILE 71 Cb 0.06 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 2fe0 s ILE 71 CO 0.05 -0.19 0.00 -0.75 0.24 0.00 0.00 174.94 174.29 2fe0 s LYS 72 N -2.92 1.07 -0.05 0.37 2.20 0.37 -4.95 119.74 115.83 2fe0 s LYS 72 Ca 0.24 -1.51 -0.12 0.00 -0.36 0.00 0.00 55.97 54.22 2fe0 s LYS 72 Cb -0.07 -0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.00 2fe0 s LYS 72 CO 0.12 -0.14 0.31 0.00 -0.36 0.00 0.00 175.35 175.28 2fe0 s ALA 73 N -3.70 3.75 0.00 3.13 0.00 -1.26 -1.32 121.76 122.35 2fe0 s ALA 73 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2fe0 s ALA 73 Cb 0.06 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2fe0 s ALA 73 CO 0.03 0.49 0.00 1.28 0.00 0.00 0.00 175.76 177.56 2fe0 n LEU 74 N 2.04 0.00 0.00 0.00 4.77 -0.52 -4.88 117.00 118.41 2fe0 n LEU 74 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 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 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2fe0 n GLY 75 N 4.33 -2.83 0.00 -0.72 0.00 -1.25 -4.55 105.19 100.18 2fe0 n GLY 75 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.35 1.61 2.85 -1.26 -4.71 118.16 115.30 2fe0 n LYS 76 Ca 0.00 0.20 -0.55 0.00 -1.05 0.00 0.00 58.31 56.91 2fe0 n LYS 76 Cb 0.00 -1.51 -0.10 0.00 -0.65 0.00 0.00 35.03 32.77 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 -1.19 0.08 -2.55 0.58 -1.04 -1.26 -4.84 114.28 104.05 2fe0 n THR 77 Ca 0.00 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 2fe0 n THR 77 Cb 0.01 -1.03 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 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 6.24 4.24 -0.12 -2.82 2.20 -1.19 -4.56 119.74 123.74 2fe0 s LYS 78 Ca 1.16 1.49 -0.00 0.00 -0.36 0.00 0.00 55.97 58.26 2fe0 s LYS 78 Cb -1.19 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 31.41 2fe0 s LYS 78 CO 0.57 -0.67 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.60 2fe0 s LEU 79 N 3.35 2.77 -0.01 5.43 2.96 -1.26 -3.34 118.68 128.57 2fe0 s LEU 79 Ca 0.49 -0.29 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 2fe0 s LEU 79 Cb -0.18 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.93 2fe0 s LEU 79 CO 0.10 0.19 0.43 -1.83 -1.32 0.00 0.00 176.35 173.91 2fe0 s GLU 80 N 0.23 0.82 0.13 1.98 -1.05 -1.02 -5.00 118.70 114.79 2fe0 s GLU 80 Ca -0.08 -0.11 0.05 0.00 -0.15 0.00 0.00 54.97 54.69 2fe0 s GLU 80 Cb -0.15 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 2fe0 s GLU 80 CO 0.05 -0.25 0.04 -1.14 0.95 0.00 0.00 175.26 174.92 2fe0 s GLN 81 N -1.51 2.63 0.40 -4.83 0.74 -1.26 -1.38 119.66 114.46 2fe0 s GLN 81 Ca -0.11 -0.91 0.08 0.00 0.05 0.00 0.00 55.36 54.47 2fe0 s GLN 81 Cb -0.03 -2.54 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 2fe0 s GLN 81 CO 0.05 0.50 0.34 -0.65 -0.55 0.00 0.00 175.29 174.98 2fe0 s GLN 82 N -2.70 2.51 0.27 1.67 -1.52 -0.53 -4.96 119.66 114.39 2fe0 s GLN 82 Ca 0.28 -1.55 -0.02 0.00 -1.95 0.00 0.00 55.36 52.12 2fe0 s GLN 82 Cb -0.11 -2.33 0.35 0.00 -0.22 0.00 0.00 33.01 30.70 2fe0 s GLN 82 CO 0.20 -0.14 1.80 0.93 -0.25 0.00 0.00 175.29 177.83 2fe0 h GLU 83 N 1.12 0.86 -0.08 2.91 5.08 -2.01 -1.92 114.58 120.55 2fe0 h GLU 83 Ca -0.42 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2fe0 h GLU 83 Cb 1.26 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2fe0 h GLU 83 CO 0.59 0.79 0.10 -2.95 -1.00 0.00 0.00 179.01 176.54 2fe0 h ASN 84 N 0.83 0.00 -0.17 1.42 -0.00 -2.05 -3.45 115.58 112.15 2fe0 h ASN 84 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 2fe0 h ASN 84 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 2fe0 h ASN 84 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 2fe0 n GLY 85 N -1.34 0.65 2.96 9.14 0.00 -0.72 -5.01 105.19 110.87 2fe0 n GLY 85 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.35 0.27 -0.11 1.61 2.02 -1.25 -1.72 118.70 119.17 2fe0 s GLU 86 Ca 0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 54.97 54.50 2fe0 s GLU 86 Cb 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 2fe0 s GLU 86 CO 0.00 -0.00 0.11 -1.58 0.02 0.00 0.00 175.26 173.81 2fe0 s TRP 87 N -0.92 3.51 -0.05 1.61 0.52 0.89 -1.45 118.94 123.05 2fe0 s TRP 87 Ca -0.09 0.46 0.04 0.00 0.02 0.00 0.00 56.10 56.53 2fe0 s TRP 87 Cb -0.07 -1.91 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 2fe0 s TRP 87 CO -0.00 0.69 -0.16 0.08 0.02 0.00 0.00 176.95 177.57 2fe0 s VAL 88 N -1.00 1.38 -0.26 4.03 1.01 -0.48 -0.52 120.40 124.57 2fe0 s VAL 88 Ca 0.15 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2fe0 s VAL 88 Cb -0.12 -1.21 0.09 0.00 0.00 0.00 0.00 36.38 35.14 2fe0 s VAL 88 CO 0.04 0.40 0.11 0.00 0.00 0.00 0.00 175.10 175.65 2fe0 s ALA 89 N 0.22 0.79 0.05 5.51 0.00 -1.11 -2.43 121.76 124.80 2fe0 s ALA 89 Ca -0.08 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.95 2fe0 s ALA 89 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2fe0 s ALA 89 CO 0.03 -1.50 -0.15 -1.54 0.00 0.00 0.00 175.76 172.60 2fe0 s SER 90 N 1.99 4.06 -0.03 0.00 1.04 -1.21 -3.35 113.70 116.19 2fe0 s SER 90 Ca 0.07 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.83 2fe0 s SER 90 Cb -0.16 -0.73 0.08 0.00 0.10 0.00 0.00 66.02 65.31 2fe0 s SER 90 CO -0.26 0.24 0.74 0.54 0.98 0.00 0.00 173.24 175.48 2fe0 s VAL 91 N -1.00 0.00 -0.09 5.02 0.11 -1.02 -3.15 120.40 120.28 2fe0 s VAL 91 Ca 0.16 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2fe0 s VAL 91 Cb -0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2fe0 s VAL 91 CO 0.07 0.00 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.06 2fe0 s VAL 92 N -1.71 3.48 -0.10 2.04 1.01 -1.26 -1.58 120.40 122.27 2fe0 s VAL 92 Ca -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2fe0 s VAL 92 Cb -0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2fe0 s VAL 92 CO 0.04 0.57 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 2fe0 s VAL 93 N -0.38 2.52 0.36 2.92 1.01 -0.09 -5.01 120.40 121.73 2fe0 s VAL 93 Ca 0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2fe0 s VAL 93 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 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 0.17 3.51 0.73 5.22 2.02 -1.26 -2.26 117.35 125.48 2fe0 s TYR 94 Ca -0.11 0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 57.06 2fe0 s TYR 94 Cb -0.16 -2.11 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2fe0 s TYR 94 CO 0.06 0.02 1.17 -2.14 -1.57 0.00 0.00 175.55 173.10 2fe0 s PRO 95 N -4.12 2.23 -1.63 -1.71 0.02 -1.26 -2.88 135.00 125.65 2fe0 s PRO 95 Ca 0.44 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2fe0 s PRO 95 Cb -0.10 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2fe0 s PRO 95 CO 0.36 -1.74 0.00 0.00 -0.33 0.00 0.00 177.00 175.29 2fe0 s GLU 97 N -4.39 0.75 -0.03 0.00 2.12 -1.14 -5.11 118.70 110.90 2fe0 s GLU 97 Ca 0.00 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2fe0 s GLU 97 Cb 0.00 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.70 2fe0 s GLU 97 CO 0.00 -0.22 -0.09 0.99 -0.54 0.00 0.00 175.26 175.40 2fe0 s THR 98 N -2.95 0.78 0.12 -1.70 2.01 -1.26 -3.88 115.64 108.75 2fe0 s THR 98 Ca -0.02 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.69 2fe0 s THR 98 Cb 0.01 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2fe0 s THR 98 CO -0.06 0.25 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.37 2fe0 s GLU 99 N 0.26 1.01 0.48 4.92 2.02 -1.24 -5.03 118.70 121.12 2fe0 s GLU 99 Ca -0.04 -1.23 -0.17 0.00 0.02 0.00 0.00 54.97 53.55 2fe0 s GLU 99 Cb -0.09 -0.86 -0.08 0.00 0.10 0.00 0.00 34.13 33.19 2fe0 s GLU 99 CO 0.01 0.16 0.94 -1.64 0.02 0.00 0.00 175.26 174.75 2fe0 s MET 100 N -2.69 3.98 0.00 1.61 -1.94 -1.26 -3.23 119.30 115.77 2fe0 s MET 100 Ca 0.09 0.91 0.00 0.00 -1.71 0.00 0.00 55.69 54.98 2fe0 s MET 100 Cb -0.05 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.61 2fe0 s MET 100 CO 0.03 -0.19 0.00 0.34 -0.01 0.00 0.00 175.02 175.19 2fe0 n PHE 101 N -1.34 0.00 -4.33 -0.03 7.35 -0.41 -3.87 117.46 114.82 2fe0 n PHE 101 Ca 0.06 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.57 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 1.17 1.51 0.07 -2.13 -5.25 -1.25 -1.44 121.20 113.89 2fe0 s ILE 102 Ca 0.00 -2.14 0.01 0.00 -0.99 0.00 0.00 60.65 57.53 2fe0 s ILE 102 Cb 0.00 -2.09 -0.04 0.00 2.95 0.00 0.00 42.46 43.28 2fe0 s ILE 102 CO 0.00 -0.56 -0.06 -0.70 -1.79 0.00 0.00 174.94 171.84 2fe0 s GLU 103 N -3.71 0.69 0.00 0.37 -6.30 -0.44 0.67 118.70 109.99 2fe0 s GLU 103 Ca 0.23 -1.15 0.00 0.00 -2.50 0.00 0.00 54.97 51.55 2fe0 s GLU 103 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 34.13 34.04 2fe0 s GLU 103 CO 0.06 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2fe0 n GLY 104 N 0.39 0.48 3.79 -1.50 0.00 -0.83 0.14 105.19 107.66 2fe0 n GLY 104 Ca -0.15 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.19 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 4.13 -0.16 1.61 3.52 0.40 -4.86 118.95 123.60 2fe0 s ARG 105 Ca 0.00 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 2fe0 s ARG 105 Cb 0.00 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2fe0 s ARG 105 CO 0.00 0.50 -0.06 0.08 -0.81 0.00 0.00 175.30 175.01 2fe0 s VAL 106 N -0.52 3.64 -0.07 7.11 1.01 -1.26 -2.82 120.40 127.48 2fe0 s VAL 106 Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2fe0 s VAL 106 Cb -0.17 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2fe0 s VAL 106 CO 0.14 0.49 0.01 0.21 0.00 0.00 0.00 175.10 175.95 2fe0 s ASN 107 N 0.48 1.51 -0.05 3.32 2.47 -1.26 -4.99 114.94 116.41 2fe0 s ASN 107 Ca -0.05 -0.07 -0.03 0.00 0.42 0.00 0.00 52.86 53.13 2fe0 s ASN 107 Cb -0.15 -0.41 0.01 0.00 -1.45 0.00 0.00 41.25 39.26 2fe0 s ASN 107 CO 0.03 -0.19 0.06 0.61 -3.72 0.00 0.00 177.10 173.89 2fe0 n GLY 108 N 5.12 -1.38 3.15 1.21 0.00 -1.26 -3.97 105.19 108.06 2fe0 n GLY 108 Ca -0.07 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.21 0.05 -0.13 1.61 -0.71 -1.26 -2.51 117.98 114.82 2fe0 s PHE 109 Ca -0.07 -0.20 -0.03 0.00 -1.04 0.00 0.00 56.93 55.59 2fe0 s PHE 109 Cb 0.00 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 2fe0 s PHE 109 CO 0.21 -0.36 -0.03 0.15 -1.34 0.00 0.00 175.22 173.85 2fe0 s LYS 110 N -1.98 3.41 -0.11 1.99 1.02 0.23 -4.94 119.74 119.37 2fe0 s LYS 110 Ca -0.10 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 55.39 2fe0 s LYS 110 Cb -0.04 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 2fe0 s LYS 110 CO -0.01 0.39 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.61 2fe0 s SER 111 N -0.05 4.47 -0.12 2.83 0.01 -1.26 0.65 113.70 120.23 2fe0 s SER 111 Ca 0.02 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 2fe0 s SER 111 Cb -0.13 -1.41 0.05 0.00 0.21 0.00 0.00 66.02 64.73 2fe0 s SER 111 CO 0.02 0.26 0.08 -0.75 0.41 0.00 0.00 173.24 173.26 2fe0 s LYS 112 N -0.19 0.02 0.39 12.44 2.20 0.12 -4.99 119.74 129.73 2fe0 s LYS 112 Ca 0.02 0.09 0.08 0.00 -0.36 0.00 0.00 55.97 55.80 2fe0 s LYS 112 Cb -0.13 -1.32 -0.08 0.00 -1.51 0.00 0.00 37.83 34.79 2fe0 s LYS 112 CO 0.03 -0.54 -0.02 -1.64 -0.36 0.00 0.00 175.35 172.82 2fe0 s MET 113 N 2.15 1.92 0.25 4.03 -1.94 -1.26 -1.41 119.30 123.04 2fe0 s MET 113 Ca 0.03 -2.06 -0.22 0.00 -1.71 0.00 0.00 55.69 51.74 2fe0 s MET 113 Cb -0.14 -1.66 0.04 0.00 2.01 0.00 0.00 34.83 35.08 2fe0 s MET 113 CO -0.07 0.00 0.82 0.34 -0.01 0.00 0.00 175.02 176.11 2fe0 s ASP 114 N -3.68 -0.18 -0.47 3.03 -1.08 -1.16 -5.03 116.67 108.09 2fe0 s ASP 114 Ca 0.34 -0.62 0.03 0.00 -0.52 0.00 0.00 52.55 51.78 2fe0 s ASP 114 Cb 0.08 0.66 0.14 0.00 -1.46 0.00 0.00 42.92 42.34 2fe0 s ASP 114 CO 0.18 -1.24 0.27 0.00 0.52 0.00 0.00 175.17 174.89 2fe0 s ALA 115 N -3.42 2.41 0.60 3.66 0.00 -1.26 -3.14 121.76 120.61 2fe0 s ALA 115 Ca 0.13 -2.78 -0.06 0.00 0.00 0.00 0.00 51.96 49.25 2fe0 s ALA 115 Cb -0.04 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2fe0 s ALA 115 CO 0.06 -2.06 0.91 -0.51 0.00 0.00 0.00 175.76 174.16 2fe0 s LEU 116 N 0.11 3.21 0.46 0.00 1.43 -1.04 -4.83 118.68 118.02 2fe0 s LEU 116 Ca 0.19 0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 53.78 2fe0 s LEU 116 Cb -0.21 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 2fe0 s LEU 116 CO -0.02 -1.10 0.97 -2.84 0.23 0.00 0.00 176.35 173.59 2fe0 s PRO 117 N -5.01 4.08 -0.19 1.29 0.02 -1.26 0.25 135.00 134.18 2fe0 s PRO 117 Ca 0.54 1.11 -0.29 0.00 0.02 0.00 0.00 61.00 62.39 2fe0 s PRO 117 Cb -0.11 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 2fe0 s PRO 117 CO 0.45 -0.16 1.21 -0.51 -0.33 0.00 0.00 177.00 177.66 2fe0 s LEU 118 N -3.47 4.13 0.00 -5.54 1.43 -1.24 -4.56 118.68 109.44 2fe0 s LEU 118 Ca 0.62 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2fe0 s LEU 118 Cb -0.10 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.67 2fe0 s LEU 118 CO 0.19 -0.77 0.61 -1.20 0.23 0.00 0.00 176.35 175.41 2fe0 n SER 119 N 6.65 0.57 0.20 2.29 7.64 -1.26 -4.91 113.62 124.79 2fe0 n SER 119 Ca 0.14 -1.54 0.12 0.00 1.01 0.00 0.00 58.87 58.59 2fe0 n SER 119 Cb 0.45 -0.42 0.68 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.00 -0.89 1.43 -0.00 -2.00 -1.43 114.58 111.68 2fe0 h GLU 120 Ca -0.20 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.25 2fe0 h GLU 120 Cb 0.68 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.36 2fe0 h GLU 120 CO 0.19 0.00 0.54 1.49 -0.00 0.00 0.00 179.01 181.23 2fe0 h GLU 121 N 0.00 0.90 -0.61 1.06 4.57 -2.00 -1.16 114.58 117.34 2fe0 h GLU 121 Ca 0.06 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2fe0 h GLU 121 Cb 0.26 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2fe0 h GLU 121 CO -0.00 0.60 0.14 -0.92 -1.18 0.00 0.00 179.01 177.64 2fe0 h TYR 122 N 0.93 1.04 -0.94 0.92 3.20 -1.61 -2.21 116.97 118.30 2fe0 h TYR 122 Ca 0.42 -0.13 0.10 0.00 3.14 0.00 0.00 58.73 62.25 2fe0 h TYR 122 Cb 0.31 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.22 2fe0 h TYR 122 CO -0.03 0.88 0.60 0.00 -1.64 0.00 0.00 178.16 177.97 2fe0 h ARG 123 N 0.90 0.93 -0.37 1.82 3.08 -1.20 -0.77 114.38 118.77 2fe0 h ARG 123 Ca 0.19 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2fe0 h ARG 123 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2fe0 h ARG 123 CO 0.00 0.62 -0.36 0.37 -1.07 0.00 0.00 179.97 179.53 2fe0 h GLN 124 N 0.96 0.87 -0.52 0.04 5.75 -1.04 -2.90 115.11 118.26 2fe0 h GLN 124 Ca 0.44 -0.44 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2fe0 h GLN 124 Cb 0.38 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 2fe0 h GLN 124 CO -0.20 1.08 0.35 1.25 -2.65 0.00 0.00 178.83 178.67 2fe0 h HIS 125 N 0.71 0.39 -0.84 3.99 2.76 -0.55 -0.61 115.15 121.00 2fe0 h HIS 125 Ca 0.07 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2fe0 h HIS 125 Cb 0.93 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 2fe0 h HIS 125 CO 0.05 0.20 0.55 1.96 -1.30 0.00 0.00 177.93 179.39 2fe0 h GLN 126 N 0.38 0.94 -0.49 5.26 4.20 -1.20 -0.96 115.11 123.24 2fe0 h GLN 126 Ca 0.24 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 2fe0 h GLN 126 Cb 0.44 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2fe0 h GLN 126 CO -0.06 0.62 0.08 0.00 -0.67 0.00 0.00 178.83 178.81 2fe0 h ALA 127 N 1.53 1.23 -0.52 3.87 0.00 -1.20 -2.48 119.26 121.69 2fe0 h ALA 127 Ca 0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2fe0 h ALA 127 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2fe0 h ALA 127 CO -0.12 0.53 0.04 0.93 0.00 0.00 0.00 179.25 180.63 2fe0 h GLU 128 N 0.73 0.86 -0.78 0.00 4.39 -1.14 2.17 114.58 120.80 2fe0 h GLU 128 Ca 0.16 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2fe0 h GLU 128 Cb 0.32 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 2fe0 h GLU 128 CO 0.00 0.83 0.46 0.87 -1.16 0.00 0.00 179.01 180.01 2fe0 h LYS 129 N 0.81 1.07 0.00 2.33 1.57 -0.97 -3.28 116.57 118.09 2fe0 h LYS 129 Ca 0.16 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 2fe0 h LYS 129 Cb 0.42 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2fe0 h LYS 129 CO 0.01 0.76 -1.33 -0.40 -0.57 0.00 0.00 179.45 177.93 2fe0 n ASP 130 N -4.37 1.88 0.00 0.86 5.68 -1.00 -5.14 116.55 114.47 2fe0 n ASP 130 Ca 0.08 0.45 0.13 0.00 -0.50 0.00 0.00 54.79 54.95 2fe0 n ASP 130 Cb 0.08 -0.88 0.77 0.00 -1.14 0.00 0.00 41.12 39.94 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04