#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 s GLY 2 N 0.00 2.71 0.40 3.03 0.00 -1.26 -4.93 107.32 107.28 2fe0 s GLY 2 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 44.72 45.66 2fe0 s GLY 2 CO 0.00 1.27 2.01 0.00 0.00 0.00 0.00 173.10 176.38 2fe0 n GLY 4 N -1.26 1.58 0.24 0.00 0.00 -1.26 -4.10 105.19 100.40 2fe0 n GLY 4 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 1.97 1.76 -3.89 4.61 0.00 -1.82 -3.42 119.26 118.47 2fe0 h ALA 5 Ca 0.00 -0.12 -0.68 0.00 0.00 0.00 0.00 54.91 54.11 2fe0 h ALA 5 Cb 0.70 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.24 2fe0 h ALA 5 CO 0.00 0.18 -0.82 -1.12 0.00 0.00 0.00 179.25 177.49 2fe0 s SER 6 N -6.99 3.67 0.14 0.00 0.01 -1.26 -5.13 113.70 104.15 2fe0 s SER 6 Ca -0.05 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.53 2fe0 s SER 6 Cb 0.16 -0.47 -0.07 0.00 0.21 0.00 0.00 66.02 65.85 2fe0 s SER 6 CO 0.70 0.21 0.51 -0.55 0.41 0.00 0.00 173.24 174.51 2fe0 s SER 7 N -1.83 6.74 0.29 2.44 0.15 -1.26 -5.09 113.70 115.13 2fe0 s SER 7 Ca 0.16 0.97 0.07 0.00 0.70 0.00 0.00 55.95 57.84 2fe0 s SER 7 Cb -0.10 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2fe0 s SER 7 CO 0.07 0.09 0.32 -1.83 1.20 0.00 0.00 173.24 173.09 2fe0 s GLU 8 N -2.11 3.04 0.48 5.44 1.03 -1.26 -5.10 118.70 120.22 2fe0 s GLU 8 Ca 0.38 -1.04 -0.18 0.00 0.03 0.00 0.00 54.97 54.17 2fe0 s GLU 8 Cb -0.14 -2.68 -0.09 0.00 -0.80 0.00 0.00 34.13 30.42 2fe0 s GLU 8 CO 0.19 0.26 0.97 0.54 -1.33 0.00 0.00 175.26 175.89 2fe0 s ASN 9 N -3.99 6.73 0.52 0.83 4.22 -1.26 -4.95 114.94 117.05 2fe0 s ASN 9 Ca 0.38 1.62 0.23 0.00 -2.14 0.00 0.00 52.86 52.94 2fe0 s ASN 9 Cb -0.08 -2.52 1.39 0.00 1.28 0.00 0.00 41.25 41.32 2fe0 s ASN 9 CO 0.28 -0.51 2.10 0.77 -2.04 0.00 0.00 177.10 177.70 2fe0 h SER 10 N 1.29 0.00 -0.32 3.54 4.64 -2.02 -3.47 113.55 117.21 2fe0 h SER 10 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2fe0 h SER 10 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2fe0 h SER 10 CO 0.61 0.09 0.00 -1.20 -0.87 0.00 0.00 176.83 175.47 2fe0 n SER 11 N -4.01 -1.96 -4.03 4.97 7.64 -1.26 -4.84 113.62 110.13 2fe0 n SER 11 Ca -0.02 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.69 2fe0 n SER 11 Cb 0.18 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.25 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fe0 s VAL 12 N 0.00 0.64 0.06 0.44 1.01 -1.26 -5.08 120.40 116.21 2fe0 s VAL 12 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2fe0 s VAL 12 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2fe0 s VAL 12 CO 0.00 0.01 -0.12 0.28 0.00 0.00 0.00 175.10 175.27 2fe0 s THR 13 N -0.54 0.94 0.31 3.92 -1.32 -1.26 -5.16 115.64 112.53 2fe0 s THR 13 Ca -0.00 -1.22 0.03 0.00 -1.21 0.00 0.00 61.69 59.29 2fe0 s THR 13 Cb -0.05 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.95 2fe0 s THR 13 CO 0.00 -0.26 0.08 -0.31 -2.21 0.00 0.00 174.62 171.93 2fe0 s TYR 14 N -1.27 1.77 0.22 9.09 2.02 -1.26 -5.06 117.35 122.86 2fe0 s TYR 14 Ca -0.04 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.57 2fe0 s TYR 14 Cb -0.10 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 2fe0 s TYR 14 CO 0.02 -0.17 0.00 1.55 -1.57 0.00 0.00 175.55 175.38 2fe0 n VAL 15 N -0.61 0.00 0.22 0.71 3.14 -1.26 -4.87 118.33 115.66 2fe0 n VAL 15 Ca -0.02 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.43 2fe0 n VAL 15 Cb 0.66 -0.50 0.51 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 -1.98 -3.47 115.58 119.02 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 0.25 0.00 0.61 -1.65 0.00 0.00 177.43 176.64 2fe0 n GLY 17 N -0.57 1.50 3.87 2.83 0.00 -1.26 -5.03 105.19 106.54 2fe0 n GLY 17 Ca -0.02 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 3.79 0.17 1.61 1.81 -1.26 -4.82 118.95 118.25 2fe0 s ARG 18 Ca 0.00 0.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.95 2fe0 s ARG 18 Cb 0.00 -2.70 -0.08 0.00 -0.45 0.00 0.00 34.95 31.72 2fe0 s ARG 18 CO 0.00 0.35 1.27 -1.25 -0.68 0.00 0.00 175.30 174.99 2fe0 s PRO 19 N -2.72 4.42 0.35 3.54 0.04 -1.26 -4.91 135.00 134.45 2fe0 s PRO 19 Ca 0.46 1.97 0.27 0.00 0.04 0.00 0.00 61.00 63.74 2fe0 s PRO 19 Cb -0.12 -3.23 1.06 0.00 0.04 0.00 0.00 34.50 32.26 2fe0 s PRO 19 CO 0.21 -0.22 1.80 1.79 0.04 0.00 0.00 177.00 180.62 2fe0 h THR 20 N 3.88 0.00 -4.12 1.26 1.35 -1.97 -3.43 112.91 109.89 2fe0 h THR 20 Ca -0.44 -0.36 -0.69 0.00 -0.55 0.00 0.00 66.41 64.37 2fe0 h THR 20 Cb 1.21 1.21 -0.24 0.00 -1.73 0.00 0.00 68.15 68.60 2fe0 h THR 20 CO 0.78 0.00 -0.85 0.12 -0.25 0.00 0.00 175.52 175.32 2fe0 s PHE 21 N -3.40 2.41 0.31 4.73 5.36 -1.26 -5.13 117.98 121.00 2fe0 s PHE 21 Ca 0.04 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.70 2fe0 s PHE 21 Cb 0.09 -1.39 -0.03 0.00 -0.34 0.00 0.00 43.02 41.35 2fe0 s PHE 21 CO 0.46 0.21 0.20 0.54 -1.46 0.00 0.00 175.22 175.17 2fe0 s VAL 22 N -0.89 0.17 0.00 3.12 0.11 -1.26 -5.03 120.40 116.61 2fe0 s VAL 22 Ca 0.13 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.18 2fe0 s VAL 22 Cb -0.10 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 2fe0 s VAL 22 CO 0.04 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 2fe0 n GLY 23 N -0.59 0.90 2.10 6.54 0.00 -1.26 -4.76 105.19 108.12 2fe0 n GLY 23 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.99 1.61 2.13 -0.67 -4.90 120.64 115.82 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 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 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 -1.83 3.45 -0.08 5.31 2.12 -1.05 -4.96 118.70 121.65 2fe0 s GLU 25 Ca 0.00 -0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 2fe0 s GLU 25 Cb 0.00 -3.92 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2fe0 s GLU 25 CO 0.00 -1.05 -0.06 0.08 -0.54 0.00 0.00 175.26 173.69 2fe0 s VAL 26 N 3.18 3.78 0.16 3.70 1.01 -1.26 -2.10 120.40 128.87 2fe0 s VAL 26 Ca 0.29 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 2fe0 s VAL 26 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2fe0 s VAL 26 CO 0.21 0.58 0.06 0.42 0.00 0.00 0.00 175.10 176.37 2fe0 s THR 27 N -0.61 0.24 -0.27 3.92 -4.23 -0.03 -4.93 115.64 109.73 2fe0 s THR 27 Ca 0.09 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2fe0 s THR 27 Cb -0.12 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.62 2fe0 s THR 27 CO 0.02 -0.37 -0.06 -1.59 -0.54 0.00 0.00 174.62 172.08 2fe0 s LYS 28 N -4.04 1.93 0.00 3.99 -2.85 -1.26 0.27 119.74 117.78 2fe0 s LYS 28 Ca 0.27 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 2fe0 s LYS 28 Cb 0.07 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 2fe0 s LYS 28 CO 0.05 -0.66 1.00 0.41 0.10 0.00 0.00 175.35 176.25 2fe0 n GLY 29 N 4.46 -3.06 3.65 0.59 0.00 -1.05 -4.15 105.19 105.63 2fe0 n GLY 29 Ca -0.10 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 2fe0 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fe0 s PHE 30 N -3.00 3.34 0.27 1.61 0.08 -1.25 -4.93 117.98 114.10 2fe0 s PHE 30 Ca 0.00 1.03 0.18 0.00 0.12 0.00 0.00 56.93 58.26 2fe0 s PHE 30 Cb 0.00 -2.92 0.83 0.00 -0.57 0.00 0.00 43.02 40.35 2fe0 s PHE 30 CO 0.00 -0.29 1.82 0.93 -0.10 0.00 0.00 175.22 177.58 2fe0 h GLU 31 N 7.61 0.00 -7.31 0.44 5.08 -1.88 -3.36 114.58 115.16 2fe0 h GLU 31 Ca -0.27 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.58 2fe0 h GLU 31 Cb 1.12 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.51 2fe0 h GLU 31 CO 0.81 0.34 0.28 0.21 -1.00 0.00 0.00 179.01 179.65 2fe0 s LYS 32 N -3.87 1.74 2.60 2.33 2.20 -1.26 -4.58 119.74 118.90 2fe0 s LYS 32 Ca -0.01 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 2fe0 s LYS 32 Cb 0.12 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2fe0 s LYS 32 CO 0.68 -1.98 0.00 -0.25 -0.36 0.00 0.00 175.35 173.44 2fe0 n ASP 33 N -3.74 -3.28 -0.42 1.43 8.00 -1.26 -2.54 116.55 114.74 2fe0 n ASP 33 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2fe0 n ASP 33 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2fe0 n ASP 33 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2fe0 n ASN 34 N -3.08 0.83 0.00 -2.24 6.94 -1.26 -4.76 115.26 111.69 2fe0 n ASN 34 Ca 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 2fe0 n ASN 34 Cb 0.00 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 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 0.08 2.99 5.00 4.83 0.00 -1.05 -4.85 105.19 112.19 2fe0 n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.20 0.99 4.77 -1.26 -3.96 117.00 113.34 2fe0 n LEU 36 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2fe0 n LEU 36 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2fe0 n LEU 36 CO 0.00 0.00 -0.54 -0.22 -1.33 0.00 0.00 177.39 175.30 2fe0 s LEU 37 N 0.00 2.00 -0.16 2.23 2.96 -1.26 -3.35 118.68 121.09 2fe0 s LEU 37 Ca 0.00 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 2fe0 s LEU 37 Cb 0.00 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 2fe0 s LEU 37 CO 0.00 0.18 0.02 -0.36 -1.32 0.00 0.00 176.35 174.87 2fe0 s PHE 38 N 0.10 3.15 -0.46 5.38 0.40 -1.21 -2.51 117.98 122.82 2fe0 s PHE 38 Ca -0.09 -0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 55.94 2fe0 s PHE 38 Cb -0.14 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.41 2fe0 s PHE 38 CO 0.05 0.10 0.78 0.50 0.70 0.00 0.00 175.22 177.34 2fe0 s ARG 39 N 0.26 3.37 -0.14 0.44 3.52 0.77 -3.39 118.95 123.79 2fe0 s ARG 39 Ca 0.01 -0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.32 2fe0 s ARG 39 Cb -0.13 -3.96 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 2fe0 s ARG 39 CO 0.01 -1.14 0.22 0.42 -0.81 0.00 0.00 175.30 174.01 2fe0 s ILE 40 N 3.27 5.35 -0.05 4.11 1.01 -0.25 -0.85 121.20 133.79 2fe0 s ILE 40 Ca 0.29 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 2fe0 s ILE 40 Cb -0.13 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.83 2fe0 s ILE 40 CO 0.22 0.49 0.01 -0.69 0.00 0.00 0.00 174.94 174.97 2fe0 s VAL 41 N -0.17 0.21 -0.45 2.92 1.01 -0.89 -0.91 120.40 122.11 2fe0 s VAL 41 Ca 0.15 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 2fe0 s VAL 41 Cb -0.13 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 35.98 2fe0 s VAL 41 CO 0.04 0.20 0.32 0.21 0.00 0.00 0.00 175.10 175.87 2fe0 s ASN 42 N 1.65 5.79 0.48 3.32 3.84 -1.11 -1.67 114.94 127.24 2fe0 s ASN 42 Ca -0.01 -1.56 0.18 0.00 0.21 0.00 0.00 52.86 51.69 2fe0 s ASN 42 Cb -0.13 -2.05 1.21 0.00 -0.55 0.00 0.00 41.25 39.73 2fe0 s ASN 42 CO -0.03 -0.61 2.01 0.11 -2.79 0.00 0.00 177.10 175.79 2fe0 h LYS 43 N 8.52 0.18 0.10 0.43 1.57 -1.92 2.68 116.57 128.14 2fe0 h LYS 43 Ca -0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2fe0 h LYS 43 Cb 1.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2fe0 h LYS 43 CO 0.82 0.12 -0.18 0.87 -0.57 0.00 0.00 179.45 180.51 2fe0 h LYS 44 N 0.19 -0.29 -0.02 3.15 1.57 -1.97 -3.06 116.57 116.14 2fe0 h LYS 44 Ca 0.22 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2fe0 h LYS 44 Cb 0.62 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2fe0 h LYS 44 CO -0.04 -0.19 -0.18 1.63 -0.57 0.00 0.00 179.45 180.10 2fe0 n LYS 45 N -3.43 1.53 -2.97 3.15 5.02 -1.09 -4.94 118.16 115.42 2fe0 n LYS 45 Ca -0.03 -1.11 -0.21 0.00 -2.02 0.00 0.00 58.31 54.94 2fe0 n LYS 45 Cb 0.15 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.23 -3.58 -3.76 1.97 4.76 0.90 -4.45 118.16 114.22 2fe0 n LYS 46 Ca 0.14 0.71 -0.36 0.00 -2.87 0.00 0.00 58.31 55.94 2fe0 n LYS 46 Cb 0.45 -5.46 -0.09 0.00 -1.84 0.00 0.00 35.03 28.09 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 -5.62 4.08 0.18 1.97 -2.07 -1.13 -1.92 119.66 115.15 2fe0 s GLN 47 Ca 0.25 -0.28 -0.18 0.00 -1.82 0.00 0.00 55.36 53.33 2fe0 s GLN 47 Cb -0.12 -3.42 -0.08 0.00 -1.09 0.00 0.00 33.01 28.30 2fe0 s GLN 47 CO 0.31 0.18 0.66 -1.58 -1.32 0.00 0.00 175.29 173.54 2fe0 s TRP 48 N 0.69 3.67 0.03 9.60 0.52 0.31 -2.75 118.94 131.01 2fe0 s TRP 48 Ca 0.07 1.30 -0.04 0.00 0.02 0.00 0.00 56.10 57.44 2fe0 s TRP 48 Cb -0.12 -2.55 -0.01 0.00 -1.15 0.00 0.00 33.47 29.64 2fe0 s TRP 48 CO 0.01 0.40 0.06 0.00 0.02 0.00 0.00 176.95 177.44 2fe0 s ALA 49 N -1.45 0.01 0.00 0.98 0.00 -0.09 -1.37 121.76 119.84 2fe0 s ALA 49 Ca 0.40 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2fe0 s ALA 49 Cb -0.17 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 2fe0 s ALA 49 CO 0.21 -0.28 -0.14 0.71 0.00 0.00 0.00 175.76 176.25 2fe0 s TYR 50 N -2.42 1.25 -0.11 0.00 2.02 -1.22 -1.09 117.35 115.78 2fe0 s TYR 50 Ca -0.07 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 2fe0 s TYR 50 Cb -0.02 -0.79 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2fe0 s TYR 50 CO -0.04 -0.01 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.30 2fe0 s TYR 51 N -0.45 2.08 -0.21 2.71 5.04 -1.22 -3.74 117.35 121.55 2fe0 s TYR 51 Ca 0.05 -0.99 -0.11 0.00 -2.44 0.00 0.00 57.07 53.58 2fe0 s TYR 51 Cb -0.06 -1.48 -0.05 0.00 0.35 0.00 0.00 41.96 40.72 2fe0 s TYR 51 CO -0.00 -0.50 0.17 1.21 -1.34 0.00 0.00 175.55 175.10 2fe0 s ASN 52 N 0.97 6.20 -0.19 4.32 2.47 -1.25 -3.36 114.94 124.10 2fe0 s ASN 52 Ca -0.07 0.22 0.11 0.00 0.42 0.00 0.00 52.86 53.54 2fe0 s ASN 52 Cb -0.15 -2.11 -0.19 0.00 -1.45 0.00 0.00 41.25 37.34 2fe0 s ASN 52 CO -0.02 0.11 -0.03 -0.90 -3.72 0.00 0.00 177.10 172.54 2fe0 n ASP 53 N 3.92 1.22 -4.65 -4.21 5.68 -1.21 -3.18 116.55 114.12 2fe0 n ASP 53 Ca -0.15 -0.04 -0.46 0.00 -0.50 0.00 0.00 54.79 53.65 2fe0 n ASP 53 Cb 0.52 0.50 -0.04 0.00 -1.14 0.00 0.00 41.12 40.96 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2fe0 n THR 54 N -2.81 0.60 -0.52 2.12 -2.24 -1.26 -4.71 114.28 105.46 2fe0 n THR 54 Ca -0.32 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.36 2fe0 n THR 54 Cb 1.02 -2.11 0.34 0.00 -2.10 0.00 0.00 70.33 67.47 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 5.75 2.10 0.00 4.28 -2.24 -1.26 -3.97 114.28 118.94 2fe0 n THR 55 Ca 0.24 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2fe0 n THR 55 Cb 0.35 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.69 3.15 -4.07 -0.78 0.00 -1.26 -5.06 117.38 110.04 2fe0 n GLN 56 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 57.10 2fe0 n GLN 56 Cb 0.97 -0.58 -0.11 0.00 0.00 0.00 0.00 30.24 30.52 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 -0.89 0.72 0.09 2.61 2.02 -1.26 -3.57 117.35 117.08 2fe0 s TYR 57 Ca 0.00 -0.50 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2fe0 s TYR 57 Cb 0.00 -0.43 -0.06 0.00 -0.40 0.00 0.00 41.96 41.07 2fe0 s TYR 57 CO 0.00 -0.07 0.43 -1.83 -1.57 0.00 0.00 175.55 172.51 2fe0 s GLU 58 N -1.59 3.80 -0.20 -0.62 -1.05 0.30 -4.68 118.70 114.65 2fe0 s GLU 58 Ca -0.09 0.23 -0.17 0.00 -0.15 0.00 0.00 54.97 54.78 2fe0 s GLU 58 Cb -0.10 -2.98 -0.04 0.00 -0.44 0.00 0.00 34.13 30.58 2fe0 s GLU 58 CO 0.01 0.54 0.46 -1.64 0.95 0.00 0.00 175.26 175.57 2fe0 s MET 59 N -1.95 4.18 -0.19 -4.83 -1.94 -0.80 -2.56 119.30 111.20 2fe0 s MET 59 Ca 0.34 0.30 -0.03 0.00 -1.71 0.00 0.00 55.69 54.60 2fe0 s MET 59 Cb -0.14 -3.55 -0.01 0.00 2.01 0.00 0.00 34.83 33.14 2fe0 s MET 59 CO 0.18 -0.10 -0.07 -1.01 -0.01 0.00 0.00 175.02 174.01 2fe0 s HIS 60 N 1.50 2.92 -0.15 -0.03 3.76 -1.19 -0.67 115.29 121.44 2fe0 s HIS 60 Ca 0.21 -0.85 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 2fe0 s HIS 60 Cb -0.15 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 2fe0 s HIS 60 CO 0.09 -0.44 -0.00 0.08 -0.85 0.00 0.00 174.74 173.62 2fe0 s VAL 61 N 1.10 4.23 -0.34 -0.90 1.01 -0.83 -3.03 120.40 121.64 2fe0 s VAL 61 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2fe0 s VAL 61 Cb -0.15 -2.86 0.14 0.00 0.00 0.00 0.00 36.38 33.52 2fe0 s VAL 61 CO -0.01 0.51 0.25 -0.22 0.00 0.00 0.00 175.10 175.62 2fe0 s LEU 62 N 0.11 0.52 -0.10 3.92 2.96 -0.42 -2.62 118.68 123.04 2fe0 s LEU 62 Ca 0.01 -1.74 0.01 0.00 -0.22 0.00 0.00 54.13 52.19 2fe0 s LEU 62 Cb -0.13 -0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 2fe0 s LEU 62 CO 0.02 -0.33 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.91 2fe0 s VAL 63 N 1.46 3.12 -0.12 1.68 1.01 -1.21 -0.96 120.40 125.38 2fe0 s VAL 63 Ca 0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2fe0 s VAL 63 Cb -0.19 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2fe0 s VAL 63 CO -0.10 0.55 -0.04 -0.89 0.00 0.00 0.00 175.10 174.62 2fe0 s THR 64 N -0.10 3.88 0.32 3.92 2.01 0.10 -2.83 115.64 122.94 2fe0 s THR 64 Ca -0.01 -0.39 0.10 0.00 0.31 0.00 0.00 61.69 61.70 2fe0 s THR 64 Cb -0.14 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2fe0 s THR 64 CO 0.04 0.54 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.09 2fe0 s PHE 65 N -0.19 2.47 0.40 4.92 0.40 -0.02 -0.88 117.98 125.09 2fe0 s PHE 65 Ca 0.03 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 2fe0 s PHE 65 Cb -0.13 -1.32 -0.08 0.00 0.51 0.00 0.00 43.02 42.00 2fe0 s PHE 65 CO 0.02 0.57 0.80 1.21 0.70 0.00 0.00 175.22 178.53 2fe0 s ASN 66 N -3.64 6.63 0.27 1.36 2.47 -1.25 -0.85 114.94 119.93 2fe0 s ASN 66 Ca 0.33 1.27 -0.01 0.00 0.42 0.00 0.00 52.86 54.86 2fe0 s ASN 66 Cb -0.01 -2.38 0.59 0.00 -1.45 0.00 0.00 41.25 38.00 2fe0 s ASN 66 CO 0.18 -0.37 1.67 -0.08 -3.72 0.00 0.00 177.10 174.78 2fe0 h GLU 67 N 1.52 0.25 -4.30 0.43 4.81 -1.68 -2.92 114.58 112.70 2fe0 h GLU 67 Ca -0.47 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.05 2fe0 h GLU 67 Cb 1.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2fe0 h GLU 67 CO 0.64 0.17 2.85 -0.25 -0.73 0.00 0.00 179.01 181.69 2fe0 n ASP 68 N -5.18 3.73 -3.51 1.04 8.00 -1.26 -4.79 116.55 114.58 2fe0 n ASP 68 Ca 0.18 -2.82 -0.06 0.00 0.71 0.00 0.00 54.79 52.80 2fe0 n ASP 68 Cb 0.57 -1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.02 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 2.66 6.27 0.22 0.00 2.15 -1.21 -4.92 116.67 121.84 2fe0 s ASP 70 Ca 0.04 -2.17 0.10 0.00 0.43 0.00 0.00 52.55 50.95 2fe0 s ASP 70 Cb -0.13 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.86 2fe0 s ASP 70 CO -0.15 -1.78 -0.18 0.27 -0.17 0.00 0.00 175.17 173.16 2fe0 s ILE 71 N 6.37 2.08 0.08 4.11 -4.36 -1.25 0.17 121.20 128.40 2fe0 s ILE 71 Ca 0.58 -2.20 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 2fe0 s ILE 71 Cb 0.02 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 2fe0 s ILE 71 CO 0.09 -0.42 0.08 -0.75 0.24 0.00 0.00 174.94 174.18 2fe0 s LYS 72 N -3.31 0.78 0.06 0.37 2.20 -0.06 -4.96 119.74 114.82 2fe0 s LYS 72 Ca 0.23 -1.17 -0.15 0.00 -0.36 0.00 0.00 55.97 54.52 2fe0 s LYS 72 Cb -0.04 0.27 -0.06 0.00 -1.51 0.00 0.00 37.83 36.49 2fe0 s LYS 72 CO 0.10 -0.21 0.48 0.00 -0.36 0.00 0.00 175.35 175.37 2fe0 s ALA 73 N -3.93 3.64 0.00 3.13 0.00 -1.26 -1.33 121.76 122.01 2fe0 s ALA 73 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2fe0 s ALA 73 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2fe0 s ALA 73 CO -0.08 0.46 0.00 1.28 0.00 0.00 0.00 175.76 177.43 2fe0 n LEU 74 N 1.46 0.00 0.00 0.00 4.77 -0.67 -4.88 117.00 117.68 2fe0 n LEU 74 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 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 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2fe0 n GLY 75 N 4.03 -3.07 0.00 -0.72 0.00 -1.25 -4.62 105.19 99.55 2fe0 n GLY 75 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 0.35 -1.53 1.61 2.85 -1.26 -4.79 118.16 115.39 2fe0 n LYS 76 Ca 0.00 0.05 -0.57 0.00 -1.05 0.00 0.00 58.31 56.74 2fe0 n LYS 76 Cb 0.00 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 32.79 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 -1.09 0.16 -2.51 0.58 -1.04 -1.26 -4.85 114.28 104.28 2fe0 n THR 77 Ca 0.09 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2fe0 n THR 77 Cb 0.06 -1.09 -0.02 0.00 -1.82 0.00 0.00 70.33 67.47 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 4.86 4.15 -0.15 -2.82 2.20 -1.17 -4.63 119.74 122.18 2fe0 s LYS 78 Ca 1.08 1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 58.10 2fe0 s LYS 78 Cb -1.17 -3.76 -0.01 0.00 -1.51 0.00 0.00 37.83 31.38 2fe0 s LYS 78 CO 0.63 -0.81 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.53 2fe0 s LEU 79 N 3.65 2.75 -0.04 5.43 2.96 -1.26 -3.25 118.68 128.92 2fe0 s LEU 79 Ca 0.51 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.91 2fe0 s LEU 79 Cb -0.18 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.91 2fe0 s LEU 79 CO 0.15 0.13 0.39 -0.70 -1.32 0.00 0.00 176.35 174.99 2fe0 s GLU 80 N 0.58 0.71 0.02 1.98 2.56 -1.03 -5.00 118.70 118.53 2fe0 s GLU 80 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.97 54.89 2fe0 s GLU 80 Cb -0.15 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 2fe0 s GLU 80 CO 0.03 -0.19 0.13 -1.14 -0.56 0.00 0.00 175.26 173.53 2fe0 s GLN 81 N -1.09 3.21 0.47 4.30 0.74 -1.26 -1.26 119.66 124.77 2fe0 s GLN 81 Ca -0.11 -0.47 0.07 0.00 0.05 0.00 0.00 55.36 54.90 2fe0 s GLN 81 Cb -0.04 -2.94 0.03 0.00 1.10 0.00 0.00 33.01 31.16 2fe0 s GLN 81 CO 0.05 0.63 0.65 -0.65 -0.55 0.00 0.00 175.29 175.42 2fe0 s GLN 82 N -2.05 2.66 0.29 1.67 -1.52 0.19 -4.95 119.66 115.95 2fe0 s GLN 82 Ca 0.27 -1.24 0.05 0.00 -1.95 0.00 0.00 55.36 52.50 2fe0 s GLN 82 Cb -0.12 -2.69 0.43 0.00 -0.22 0.00 0.00 33.01 30.41 2fe0 s GLN 82 CO 0.19 -0.47 1.69 1.05 -0.25 0.00 0.00 175.29 177.51 2fe0 h GLU 83 N 0.45 0.29 0.00 2.91 -0.00 -2.00 -2.56 114.58 113.67 2fe0 h GLU 83 Ca -0.38 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.36 58.83 2fe0 h GLU 83 Cb 1.28 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.03 2fe0 h GLU 83 CO 0.45 0.65 -0.05 -2.95 -0.00 0.00 0.00 179.01 177.11 2fe0 h ASN 84 N 0.25 0.00 0.00 3.06 -0.00 -2.05 -3.46 115.58 113.38 2fe0 h ASN 84 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 2fe0 h ASN 84 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 2fe0 h ASN 84 CO 0.06 0.05 0.00 0.61 -0.00 0.00 0.00 177.43 178.15 2fe0 n GLY 85 N -1.08 0.61 3.04 9.14 0.00 -0.96 -5.03 105.19 110.91 2fe0 n GLY 85 Ca -0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 0.40 0.44 -0.06 1.61 2.02 -1.26 -1.74 118.70 120.12 2fe0 s GLU 86 Ca 0.00 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.23 2fe0 s GLU 86 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.36 2fe0 s GLU 86 CO 0.00 -0.09 0.05 -1.58 0.02 0.00 0.00 175.26 173.66 2fe0 s TRP 87 N -2.18 3.27 -0.05 1.61 0.52 -0.03 -0.64 118.94 121.44 2fe0 s TRP 87 Ca -0.09 0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.31 2fe0 s TRP 87 Cb -0.04 -1.79 -0.00 0.00 -1.15 0.00 0.00 33.47 30.49 2fe0 s TRP 87 CO -0.03 0.54 -0.16 0.08 0.02 0.00 0.00 176.95 177.40 2fe0 s VAL 88 N -1.03 1.35 -0.24 4.03 1.01 -0.39 -0.84 120.40 124.29 2fe0 s VAL 88 Ca 0.17 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2fe0 s VAL 88 Cb -0.12 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.17 2fe0 s VAL 88 CO 0.07 0.39 0.07 0.00 0.00 0.00 0.00 175.10 175.64 2fe0 s ALA 89 N 0.16 1.03 -0.02 5.51 0.00 -1.13 -2.47 121.76 124.84 2fe0 s ALA 89 Ca -0.06 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.95 2fe0 s ALA 89 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2fe0 s ALA 89 CO 0.03 -1.40 -0.16 -1.54 0.00 0.00 0.00 175.76 172.69 2fe0 s SER 90 N 1.86 3.90 -0.20 0.00 1.04 -1.20 -3.36 113.70 115.75 2fe0 s SER 90 Ca 0.04 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 55.91 2fe0 s SER 90 Cb -0.17 -0.74 0.09 0.00 0.10 0.00 0.00 66.02 65.29 2fe0 s SER 90 CO -0.18 0.31 0.79 0.54 0.98 0.00 0.00 173.24 175.68 2fe0 s VAL 91 N -0.79 0.00 -0.16 5.02 0.11 -1.08 -3.05 120.40 120.45 2fe0 s VAL 91 Ca 0.13 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.12 2fe0 s VAL 91 Cb -0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2fe0 s VAL 91 CO 0.02 0.00 0.04 -0.69 -3.33 0.00 0.00 175.10 171.15 2fe0 s VAL 92 N -0.26 4.64 -0.14 2.04 1.01 -1.26 -1.97 120.40 124.47 2fe0 s VAL 92 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2fe0 s VAL 92 Cb -0.03 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2fe0 s VAL 92 CO 0.02 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 2fe0 s VAL 93 N 0.08 3.15 0.42 2.92 1.01 0.16 -5.01 120.40 123.13 2fe0 s VAL 93 Ca 0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2fe0 s VAL 93 Cb -0.12 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2fe0 s VAL 93 CO 0.01 0.51 0.71 -0.31 0.00 0.00 0.00 175.10 176.02 2fe0 s TYR 94 N 0.47 3.53 1.11 5.22 2.02 -1.26 -1.91 117.35 126.53 2fe0 s TYR 94 Ca -0.09 0.73 -0.12 0.00 -0.37 0.00 0.00 57.07 57.22 2fe0 s TYR 94 Cb -0.16 -2.21 0.25 0.00 -0.40 0.00 0.00 41.96 39.44 2fe0 s TYR 94 CO 0.04 -0.12 1.05 -2.14 -1.57 0.00 0.00 175.55 172.81 2fe0 s PRO 95 N -4.40 -0.49 -0.17 -1.71 0.02 -1.26 -2.73 135.00 124.26 2fe0 s PRO 95 Ca 0.46 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.39 2fe0 s PRO 95 Cb -0.10 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.82 2fe0 s PRO 95 CO 0.40 -3.46 0.00 0.00 -0.33 0.00 0.00 177.00 173.61 2fe0 s GLU 97 N -2.48 0.38 -0.02 0.00 0.41 -1.11 -5.08 118.70 110.80 2fe0 s GLU 97 Ca 0.00 -0.67 0.04 0.00 -0.41 0.00 0.00 54.97 53.93 2fe0 s GLU 97 Cb 0.00 -0.02 -0.01 0.00 -1.78 0.00 0.00 34.13 32.33 2fe0 s GLU 97 CO 0.00 -0.02 -0.13 0.99 -0.49 0.00 0.00 175.26 175.61 2fe0 s THR 98 N -1.47 1.09 0.12 3.63 2.01 -1.26 -3.95 115.64 115.81 2fe0 s THR 98 Ca -0.14 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2fe0 s THR 98 Cb -0.10 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2fe0 s THR 98 CO -0.01 0.32 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.55 2fe0 s GLU 99 N -0.09 0.94 0.38 4.92 2.02 -1.25 -5.05 118.70 120.58 2fe0 s GLU 99 Ca 0.01 -1.38 -0.16 0.00 0.02 0.00 0.00 54.97 53.46 2fe0 s GLU 99 Cb -0.08 -0.43 -0.09 0.00 0.10 0.00 0.00 34.13 33.63 2fe0 s GLU 99 CO 0.00 0.04 0.82 -1.64 0.02 0.00 0.00 175.26 174.49 2fe0 s MET 100 N -3.70 4.01 0.00 1.61 -1.94 -1.26 -3.42 119.30 114.59 2fe0 s MET 100 Ca 0.14 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 2fe0 s MET 100 Cb 0.03 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.54 2fe0 s MET 100 CO -0.02 0.04 0.00 0.34 -0.01 0.00 0.00 175.02 175.37 2fe0 n PHE 101 N -0.71 0.00 -4.28 -0.03 7.35 -0.48 -3.91 117.46 115.41 2fe0 n PHE 101 Ca 0.04 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.58 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 1.25 0.34 -2.13 -5.25 -1.24 -1.67 121.20 113.69 2fe0 s ILE 102 Ca 0.00 -2.08 0.04 0.00 -0.99 0.00 0.00 60.65 57.62 2fe0 s ILE 102 Cb 0.00 -1.97 -0.02 0.00 2.95 0.00 0.00 42.46 43.43 2fe0 s ILE 102 CO 0.00 -0.65 0.15 -1.84 -1.79 0.00 0.00 174.94 170.81 2fe0 n GLU 103 N -0.27 0.57 0.00 0.37 0.28 -0.44 0.11 120.64 121.26 2fe0 n GLU 103 Ca -0.09 -2.99 0.00 0.00 -0.16 0.00 0.00 57.16 53.92 2fe0 n GLU 103 Cb 0.61 1.77 0.00 0.00 1.43 0.00 0.00 31.44 35.26 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 -0.44 -1.86 3.86 -1.84 0.00 -0.81 -0.88 105.19 103.22 2fe0 n GLY 104 Ca -0.03 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 3.71 -0.05 1.61 3.52 0.44 -4.83 118.95 123.36 2fe0 s ARG 105 Ca 0.00 0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.78 2fe0 s ARG 105 Cb 0.00 -3.12 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 2fe0 s ARG 105 CO 0.00 0.66 -0.19 0.08 -0.81 0.00 0.00 175.30 175.05 2fe0 s VAL 106 N -1.20 1.55 -0.14 7.11 1.01 -1.26 -3.32 120.40 124.15 2fe0 s VAL 106 Ca 0.25 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2fe0 s VAL 106 Cb -0.14 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 34.98 2fe0 s VAL 106 CO 0.14 0.44 0.27 0.54 0.00 0.00 0.00 175.10 176.49 2fe0 s ASN 107 N -0.02 0.41 -0.11 3.32 4.22 -1.26 -5.04 114.94 116.47 2fe0 s ASN 107 Ca -0.03 0.52 -0.08 0.00 -2.14 0.00 0.00 52.86 51.13 2fe0 s ASN 107 Cb -0.12 0.72 0.03 0.00 1.28 0.00 0.00 41.25 43.16 2fe0 s ASN 107 CO 0.02 -0.25 0.16 0.61 -2.04 0.00 0.00 177.10 175.60 2fe0 n GLY 108 N 5.35 -4.51 3.33 0.45 0.00 -1.26 -4.57 105.19 103.99 2fe0 n GLY 108 Ca -0.06 1.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.99 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 -0.54 -0.28 -0.16 1.61 -0.71 -1.26 -3.82 117.98 112.82 2fe0 s PHE 109 Ca -0.18 0.22 -0.05 0.00 -1.04 0.00 0.00 56.93 55.88 2fe0 s PHE 109 Cb 0.01 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 2fe0 s PHE 109 CO 0.49 -0.60 0.02 0.15 -1.34 0.00 0.00 175.22 173.94 2fe0 s LYS 110 N -2.63 3.71 -0.08 1.99 1.02 -0.05 -4.97 119.74 118.73 2fe0 s LYS 110 Ca -0.04 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.55 2fe0 s LYS 110 Cb -0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2fe0 s LYS 110 CO -0.03 0.34 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.49 2fe0 s SER 111 N 0.15 4.18 -0.07 2.83 0.01 -1.26 0.01 113.70 119.54 2fe0 s SER 111 Ca 0.02 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.05 2fe0 s SER 111 Cb -0.13 -1.18 0.04 0.00 0.21 0.00 0.00 66.02 64.97 2fe0 s SER 111 CO 0.02 0.29 0.14 -0.75 0.41 0.00 0.00 173.24 173.34 2fe0 s LYS 112 N -0.37 0.03 0.34 12.44 2.20 -0.13 -4.99 119.74 129.25 2fe0 s LYS 112 Ca 0.04 0.49 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 2fe0 s LYS 112 Cb -0.12 -0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 35.87 2fe0 s LYS 112 CO 0.02 -0.27 0.09 -1.64 -0.36 0.00 0.00 175.35 173.19 2fe0 s MET 113 N 1.99 1.70 0.30 4.03 -1.94 -1.26 -1.31 119.30 122.81 2fe0 s MET 113 Ca 0.00 -1.98 -0.20 0.00 -1.71 0.00 0.00 55.69 51.81 2fe0 s MET 113 Cb -0.12 -0.63 0.04 0.00 2.01 0.00 0.00 34.83 36.13 2fe0 s MET 113 CO -0.05 -0.32 0.77 0.34 -0.01 0.00 0.00 175.02 175.75 2fe0 s ASP 114 N -3.49 -0.17 -0.50 3.03 2.15 -1.17 -5.03 116.67 111.49 2fe0 s ASP 114 Ca 0.32 -0.75 0.03 0.00 0.43 0.00 0.00 52.55 52.59 2fe0 s ASP 114 Cb 0.06 0.74 0.14 0.00 -0.30 0.00 0.00 42.92 43.56 2fe0 s ASP 114 CO 0.15 -1.40 0.29 0.00 -0.17 0.00 0.00 175.17 174.04 2fe0 s ALA 115 N -3.35 2.71 0.30 3.66 0.00 -1.26 -3.16 121.76 120.65 2fe0 s ALA 115 Ca 0.13 -2.98 -0.11 0.00 0.00 0.00 0.00 51.96 49.00 2fe0 s ALA 115 Cb -0.05 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 2fe0 s ALA 115 CO 0.08 -2.05 0.65 -0.51 0.00 0.00 0.00 175.76 173.92 2fe0 s LEU 116 N -0.13 4.05 0.29 0.00 1.43 -1.06 -4.85 118.68 118.41 2fe0 s LEU 116 Ca 0.19 1.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.03 2fe0 s LEU 116 Cb -0.20 -3.84 -0.10 0.00 0.03 0.00 0.00 46.19 42.08 2fe0 s LEU 116 CO -0.04 -0.19 1.20 -2.16 0.23 0.00 0.00 176.35 175.39 2fe0 s PRO 117 N -3.18 4.50 -0.66 1.29 0.04 -1.26 0.11 135.00 135.85 2fe0 s PRO 117 Ca 0.50 1.98 -0.33 0.00 0.04 0.00 0.00 61.00 63.18 2fe0 s PRO 117 Cb -0.11 -3.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.12 2fe0 s PRO 117 CO 0.23 0.01 2.42 1.28 0.04 0.00 0.00 177.00 180.98 2fe0 n LEU 118 N 1.26 1.20 0.00 -3.56 4.77 -1.23 -4.64 117.00 114.80 2fe0 n LEU 118 Ca 0.00 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 2fe0 n LEU 118 Cb 0.43 -1.12 0.14 0.00 -2.33 0.00 0.00 43.42 40.54 2fe0 n LEU 118 CO 0.56 -0.89 0.42 -1.20 -1.33 0.00 0.00 177.39 174.95 2fe0 n SER 119 N 10.83 -0.95 0.14 -1.43 7.64 -1.26 -4.83 113.62 123.77 2fe0 n SER 119 Ca 0.53 -1.05 0.07 0.00 1.01 0.00 0.00 58.87 59.43 2fe0 n SER 119 Cb 0.16 -0.59 0.56 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.20 -0.84 1.43 4.11 -2.02 -1.33 114.58 116.13 2fe0 h GLU 120 Ca -0.24 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.24 2fe0 h GLU 120 Cb 0.71 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2fe0 h GLU 120 CO 0.16 0.13 0.55 1.05 0.07 0.00 0.00 179.01 180.98 2fe0 h GLU 121 N 0.21 0.89 -0.86 1.06 4.11 -1.99 -1.04 114.58 116.96 2fe0 h GLU 121 Ca 0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2fe0 h GLU 121 Cb 0.05 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2fe0 h GLU 121 CO -0.01 0.59 0.51 -0.92 0.07 0.00 0.00 179.01 179.25 2fe0 h TYR 122 N 0.92 1.14 -0.83 2.06 3.20 -1.56 -0.70 116.97 121.20 2fe0 h TYR 122 Ca 0.37 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.27 2fe0 h TYR 122 Cb 0.25 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2fe0 h TYR 122 CO -0.00 0.76 0.53 0.00 -1.64 0.00 0.00 178.16 177.81 2fe0 h ARG 123 N 1.18 0.98 -0.32 1.82 3.08 -1.23 -1.84 114.38 118.05 2fe0 h ARG 123 Ca 0.31 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 2fe0 h ARG 123 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 2fe0 h ARG 123 CO -0.06 0.65 -0.36 0.37 -1.07 0.00 0.00 179.97 179.50 2fe0 h GLN 124 N 1.01 0.74 -0.63 0.04 4.15 -1.12 0.11 115.11 119.40 2fe0 h GLN 124 Ca 0.34 -0.36 0.11 0.00 0.77 0.00 0.00 58.65 59.50 2fe0 h GLN 124 Cb 0.05 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2fe0 h GLN 124 CO -0.13 0.98 0.42 1.25 -1.93 0.00 0.00 178.83 179.43 2fe0 h HIS 125 N 0.61 0.45 0.00 3.99 2.76 -0.32 0.39 115.15 123.04 2fe0 h HIS 125 Ca 0.06 0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 57.94 2fe0 h HIS 125 Cb 0.90 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 2fe0 h HIS 125 CO 0.05 0.21 -1.85 1.04 -1.30 0.00 0.00 177.93 176.08 2fe0 n GLN 126 N -4.47 0.64 -0.17 5.26 1.13 -0.96 -3.96 117.38 114.86 2fe0 n GLN 126 Ca 0.11 0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 55.34 2fe0 n GLN 126 Cb 0.40 -1.73 0.12 0.00 0.11 0.00 0.00 30.24 29.13 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 1.02 1.04 -0.37 -1.58 0.00 0.17 -2.60 119.26 116.95 2fe0 h ALA 127 Ca -0.34 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2fe0 h ALA 127 Cb 2.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2fe0 h ALA 127 CO 0.07 0.61 -0.07 1.05 0.00 0.00 0.00 179.25 180.90 2fe0 h GLU 128 N 0.88 0.62 0.00 0.00 -0.00 -1.12 -2.14 114.58 112.81 2fe0 h GLU 128 Ca 0.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2fe0 h GLU 128 Cb 0.42 -0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 29.10 2fe0 h GLU 128 CO 0.01 0.69 -0.04 0.87 -0.00 0.00 0.00 179.01 180.54 2fe0 h LYS 129 N 0.57 0.00 0.00 1.06 1.57 -1.59 -3.44 116.57 114.74 2fe0 h LYS 129 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2fe0 h LYS 129 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2fe0 h LYS 129 CO 0.03 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.70 2fe0 n ASP 130 N -4.15 0.00 0.00 0.86 8.00 -0.81 -5.14 116.55 115.31 2fe0 n ASP 130 Ca -0.03 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.62 2fe0 n ASP 130 Cb 0.13 0.00 0.85 0.00 -0.02 0.00 0.00 41.12 42.08 2fe0 n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10