#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 0.38 3.01 3.03 0.00 -1.26 -3.34 105.19 107.01 2fe0 n GLY 2 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 s GLY 4 N -1.50 -0.27 0.42 0.00 0.00 -1.21 -5.15 107.32 99.60 2fe0 s GLY 4 Ca 0.00 2.92 -0.25 0.00 0.00 0.00 0.00 44.72 47.39 2fe0 s GLY 4 CO 0.00 3.33 1.25 0.00 0.00 0.00 0.00 173.10 177.68 2fe0 s ALA 5 N 2.56 3.16 0.42 3.20 0.00 -1.26 -4.91 121.76 124.93 2fe0 s ALA 5 Ca -0.01 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.17 2fe0 s ALA 5 Cb -0.07 -3.45 0.91 0.00 0.00 0.00 0.00 23.12 20.50 2fe0 s ALA 5 CO -0.17 -0.77 2.03 1.03 0.00 0.00 0.00 175.76 177.89 2fe0 h SER 6 N 2.50 0.45 -2.98 0.00 0.87 -1.99 -3.41 113.55 109.00 2fe0 h SER 6 Ca -0.49 -0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.40 2fe0 h SER 6 Cb 1.25 -0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 63.01 2fe0 h SER 6 CO 0.62 0.31 -0.55 -0.55 -0.53 0.00 0.00 176.83 176.13 2fe0 s SER 7 N -6.54 5.90 0.07 6.23 0.15 -1.26 -5.11 113.70 113.14 2fe0 s SER 7 Ca -0.08 0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 2fe0 s SER 7 Cb 0.18 -1.78 -0.01 0.00 -1.71 0.00 0.00 66.02 62.71 2fe0 s SER 7 CO 0.74 0.32 0.13 -1.83 1.20 0.00 0.00 173.24 173.79 2fe0 s GLU 8 N -1.50 0.75 0.84 5.44 -1.05 -1.26 -5.16 118.70 116.75 2fe0 s GLU 8 Ca 0.21 -0.96 -0.12 0.00 -0.15 0.00 0.00 54.97 53.94 2fe0 s GLU 8 Cb -0.12 0.30 0.10 0.00 -0.44 0.00 0.00 34.13 33.96 2fe0 s GLU 8 CO 0.11 -0.21 1.18 0.54 0.95 0.00 0.00 175.26 177.83 2fe0 s ASN 9 N -2.71 4.25 0.12 0.83 4.22 -1.26 -5.10 114.94 115.28 2fe0 s ASN 9 Ca 0.03 0.77 -0.10 0.00 -2.14 0.00 0.00 52.86 51.42 2fe0 s ASN 9 Cb 0.04 -1.23 0.00 0.00 1.28 0.00 0.00 41.25 41.34 2fe0 s ASN 9 CO -0.09 -2.07 0.26 -0.94 -2.04 0.00 0.00 177.10 172.22 2fe0 s SER 10 N -4.53 0.03 0.28 3.54 1.04 -1.26 -5.18 113.70 107.62 2fe0 s SER 10 Ca 0.63 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 56.30 2fe0 s SER 10 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2fe0 s SER 10 CO 0.50 -0.80 0.49 -0.55 0.98 0.00 0.00 173.24 173.86 2fe0 s SER 11 N -2.88 0.14 -0.07 7.02 0.15 -1.26 -5.15 113.70 111.64 2fe0 s SER 11 Ca 0.08 -1.08 -0.06 0.00 0.70 0.00 0.00 55.95 55.60 2fe0 s SER 11 Cb 0.04 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 2fe0 s SER 11 CO -0.08 -1.21 0.19 -0.69 1.20 0.00 0.00 173.24 172.65 2fe0 s VAL 12 N -3.69 -0.01 -0.06 4.45 1.01 -1.26 -5.01 120.40 115.83 2fe0 s VAL 12 Ca 0.24 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2fe0 s VAL 12 Cb -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2fe0 s VAL 12 CO 0.12 0.02 -0.09 -0.89 0.00 0.00 0.00 175.10 174.26 2fe0 s THR 13 N 0.37 0.87 0.40 3.92 2.01 -1.26 -5.15 115.64 116.80 2fe0 s THR 13 Ca -0.02 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 61.73 2fe0 s THR 13 Cb -0.04 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 2fe0 s THR 13 CO -0.02 0.30 0.29 -0.31 -0.69 0.00 0.00 174.62 174.19 2fe0 s TYR 14 N 0.77 2.71 0.19 4.92 2.02 -1.26 -4.95 117.35 121.75 2fe0 s TYR 14 Ca -0.13 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 2fe0 s TYR 14 Cb -0.15 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 2fe0 s TYR 14 CO 0.02 0.04 0.00 1.55 -1.57 0.00 0.00 175.55 175.59 2fe0 n VAL 15 N -1.41 0.21 0.21 0.71 3.14 -1.26 -4.85 118.33 115.09 2fe0 n VAL 15 Ca 0.01 0.07 0.06 0.00 -2.96 0.00 0.00 64.34 61.52 2fe0 n VAL 15 Cb 0.62 -0.74 0.48 0.00 -1.06 0.00 0.00 33.84 33.13 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 -3.47 115.58 119.03 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 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2fe0 h ASN 16 CO 0.00 0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.67 2fe0 n GLY 17 N -0.43 1.64 3.86 2.83 0.00 -1.26 -5.05 105.19 106.78 2fe0 n GLY 17 Ca -0.02 -1.06 -0.33 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 3.89 0.20 1.61 1.81 -1.26 -4.81 118.95 118.38 2fe0 s ARG 18 Ca 0.00 0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 54.13 2fe0 s ARG 18 Cb 0.00 -2.63 -0.08 0.00 -0.45 0.00 0.00 34.95 31.79 2fe0 s ARG 18 CO 0.00 0.30 1.17 -1.25 -0.68 0.00 0.00 175.30 174.84 2fe0 s PRO 19 N -2.74 4.52 0.36 3.54 0.04 -1.26 -4.94 135.00 134.53 2fe0 s PRO 19 Ca 0.48 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.45 2fe0 s PRO 19 Cb -0.12 -3.24 0.69 0.00 0.04 0.00 0.00 34.50 31.88 2fe0 s PRO 19 CO 0.20 -0.02 1.85 1.15 0.04 0.00 0.00 177.00 180.22 2fe0 h THR 20 N 3.65 1.22 -3.29 1.26 2.02 -1.96 -3.42 112.91 112.39 2fe0 h THR 20 Ca -0.45 -1.00 -0.67 0.00 0.77 0.00 0.00 66.41 65.06 2fe0 h THR 20 Cb 1.21 1.36 -0.15 0.00 -1.74 0.00 0.00 68.15 68.83 2fe0 h THR 20 CO 0.73 0.31 -0.62 0.12 0.37 0.00 0.00 175.52 176.43 2fe0 s PHE 21 N -4.54 3.17 -0.03 3.16 5.36 -1.26 -5.11 117.98 118.73 2fe0 s PHE 21 Ca -0.05 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.10 2fe0 s PHE 21 Cb 0.15 -1.82 0.01 0.00 -0.34 0.00 0.00 43.02 41.02 2fe0 s PHE 21 CO 0.74 0.42 -0.05 0.08 -1.46 0.00 0.00 175.22 174.96 2fe0 s VAL 22 N -0.72 0.47 0.00 3.12 1.01 -1.26 -5.02 120.40 117.99 2fe0 s VAL 22 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2fe0 s VAL 22 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2fe0 s VAL 22 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2fe0 n GLY 23 N 3.60 1.38 1.85 4.51 0.00 -1.26 -4.91 105.19 110.36 2fe0 n GLY 23 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2fe0 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fe0 n GLU 24 N 0.00 0.00 -3.03 1.61 4.07 0.86 -4.88 120.64 119.28 2fe0 n GLU 24 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 2fe0 n GLU 24 Cb 0.00 -0.07 -0.05 0.00 -0.06 0.00 0.00 31.44 31.27 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2fe0 s GLU 25 N -1.86 4.38 -0.02 5.31 2.56 -1.03 -4.94 118.70 123.10 2fe0 s GLU 25 Ca 0.00 0.86 0.04 0.00 0.00 0.00 0.00 54.97 55.87 2fe0 s GLU 25 Cb 0.00 -3.49 -0.01 0.00 2.00 0.00 0.00 34.13 32.64 2fe0 s GLU 25 CO 0.00 -0.04 -0.14 0.08 -0.56 0.00 0.00 175.26 174.60 2fe0 s VAL 26 N 1.18 1.15 0.29 3.70 1.01 -1.26 -2.00 120.40 124.47 2fe0 s VAL 26 Ca 0.36 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2fe0 s VAL 26 Cb -0.17 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 2fe0 s VAL 26 CO 0.16 0.33 0.11 0.42 0.00 0.00 0.00 175.10 176.12 2fe0 s THR 27 N -0.12 0.61 -0.46 3.92 -4.23 -1.12 -4.94 115.64 109.29 2fe0 s THR 27 Ca 0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2fe0 s THR 27 Cb -0.08 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.27 2fe0 s THR 27 CO 0.00 0.00 0.22 -1.59 -0.54 0.00 0.00 174.62 172.71 2fe0 s LYS 28 N -3.95 1.94 0.05 3.99 -2.85 -1.26 -1.41 119.74 116.25 2fe0 s LYS 28 Ca 0.36 -2.20 -0.10 0.00 -1.00 0.00 0.00 55.97 53.03 2fe0 s LYS 28 Cb 0.07 -3.43 -0.03 0.00 -2.06 0.00 0.00 37.83 32.39 2fe0 s LYS 28 CO 0.15 -1.06 1.18 0.78 0.10 0.00 0.00 175.35 176.50 2fe0 h GLY 29 N 7.29 -2.00 -4.66 0.59 0.00 -1.73 -3.37 103.07 99.20 2fe0 h GLY 29 Ca -0.07 0.99 -0.55 0.00 0.00 0.00 0.00 47.33 47.70 2fe0 h GLY 29 CO 0.64 -0.65 0.45 -1.36 0.00 0.00 0.00 176.54 175.62 2fe0 s PHE 30 N -3.84 3.57 -0.28 5.60 0.08 -1.25 -4.92 117.98 116.94 2fe0 s PHE 30 Ca -0.04 1.59 0.28 0.00 0.12 0.00 0.00 56.93 58.88 2fe0 s PHE 30 Cb 0.03 -3.13 0.92 0.00 -0.57 0.00 0.00 43.02 40.27 2fe0 s PHE 30 CO 0.21 -0.12 1.80 1.05 -0.10 0.00 0.00 175.22 178.05 2fe0 h GLU 31 N 6.97 0.00 -7.25 0.44 4.11 -1.89 -3.39 114.58 113.57 2fe0 h GLU 31 Ca -0.35 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.58 2fe0 h GLU 31 Cb 1.18 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.49 2fe0 h GLU 31 CO 0.81 0.00 0.38 0.21 0.07 0.00 0.00 179.01 180.48 2fe0 s LYS 32 N -3.39 3.43 1.20 1.06 2.20 -1.26 -4.85 119.74 118.13 2fe0 s LYS 32 Ca 0.05 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2fe0 s LYS 32 Cb 0.08 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2fe0 s LYS 32 CO 0.56 -0.71 0.00 -0.25 -0.36 0.00 0.00 175.35 174.60 2fe0 n ASP 33 N -2.28 -4.40 -0.21 1.43 8.00 -1.26 -3.22 116.55 114.60 2fe0 n ASP 33 Ca 0.07 0.17 0.14 0.00 0.71 0.00 0.00 54.79 55.88 2fe0 n ASP 33 Cb 0.53 -0.49 0.45 0.00 -0.02 0.00 0.00 41.12 41.60 2fe0 n ASP 33 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2fe0 h ASN 34 N -0.14 0.50 0.00 -2.24 -0.73 -1.92 -3.44 115.58 107.61 2fe0 h ASN 34 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2fe0 h ASN 34 Cb 0.14 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.66 2fe0 h ASN 34 CO 0.00 0.25 0.00 0.61 -0.37 0.00 0.00 177.43 177.92 2fe0 n GLY 35 N -1.48 0.08 5.05 1.57 0.00 -1.20 -5.01 105.19 104.20 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 -4.57 0.99 4.77 -1.26 -3.87 117.00 113.06 2fe0 n LEU 36 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2fe0 n LEU 36 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2fe0 n LEU 36 CO 0.00 0.00 -0.31 -0.22 -1.33 0.00 0.00 177.39 175.53 2fe0 s LEU 37 N 0.00 3.49 -0.19 2.23 2.96 -1.26 -3.76 118.68 122.14 2fe0 s LEU 37 Ca 0.00 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2fe0 s LEU 37 Cb 0.00 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2fe0 s LEU 37 CO 0.00 0.20 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.86 2fe0 s PHE 38 N 0.17 3.02 -0.69 5.38 0.40 -1.25 -2.73 117.98 122.28 2fe0 s PHE 38 Ca 0.01 -0.48 -0.27 0.00 -0.60 0.00 0.00 56.93 55.59 2fe0 s PHE 38 Cb -0.13 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.37 2fe0 s PHE 38 CO 0.02 -0.23 1.22 0.50 0.70 0.00 0.00 175.22 177.42 2fe0 s ARG 39 N 0.93 3.27 -0.09 0.44 3.52 -0.50 -3.79 118.95 122.72 2fe0 s ARG 39 Ca 0.01 -0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 55.23 2fe0 s ARG 39 Cb -0.14 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.07 2fe0 s ARG 39 CO 0.02 -1.98 0.57 0.42 -0.81 0.00 0.00 175.30 173.51 2fe0 s ILE 40 N 5.32 5.11 -0.04 4.11 1.01 -0.52 -2.79 121.20 133.40 2fe0 s ILE 40 Ca 0.36 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2fe0 s ILE 40 Cb -0.09 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2fe0 s ILE 40 CO 0.17 0.31 -0.02 -0.69 0.00 0.00 0.00 174.94 174.71 2fe0 s VAL 41 N 0.60 0.35 -0.46 2.92 1.01 -0.84 -0.77 120.40 123.20 2fe0 s VAL 41 Ca 0.30 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2fe0 s VAL 41 Cb -0.16 -0.43 0.10 0.00 0.00 0.00 0.00 36.38 35.89 2fe0 s VAL 41 CO 0.14 0.19 0.34 0.21 0.00 0.00 0.00 175.10 175.98 2fe0 s ASN 42 N 1.11 5.79 0.48 3.32 3.04 -1.18 -0.10 114.94 127.41 2fe0 s ASN 42 Ca -0.08 -1.70 0.22 0.00 0.04 0.00 0.00 52.86 51.33 2fe0 s ASN 42 Cb -0.14 -2.05 1.25 0.00 -1.54 0.00 0.00 41.25 38.77 2fe0 s ASN 42 CO -0.01 -0.66 1.92 0.11 -3.04 0.00 0.00 177.10 175.42 2fe0 h LYS 43 N 8.53 0.20 0.04 0.43 1.57 -1.92 3.10 116.57 128.51 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 1.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2fe0 h LYS 43 CO 0.85 0.13 -0.07 0.87 -0.57 0.00 0.00 179.45 180.66 2fe0 h LYS 44 N 0.21 -0.11 -0.01 3.15 1.57 -1.99 -3.13 116.57 116.25 2fe0 h LYS 44 Ca 0.37 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2fe0 h LYS 44 Cb 1.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2fe0 h LYS 44 CO -0.07 -0.08 -0.45 1.63 -0.57 0.00 0.00 179.45 179.91 2fe0 n LYS 45 N -2.81 0.68 -2.77 3.15 4.76 -1.04 -4.95 118.16 115.18 2fe0 n LYS 45 Ca -0.01 -0.47 -0.21 0.00 -2.87 0.00 0.00 58.31 54.74 2fe0 n LYS 45 Cb 0.06 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 31.77 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 -0.75 -3.41 -3.45 1.97 4.76 1.03 -4.35 118.16 113.96 2fe0 n LYS 46 Ca 0.09 0.90 -0.38 0.00 -2.87 0.00 0.00 58.31 56.05 2fe0 n LYS 46 Cb 0.37 -5.67 -0.09 0.00 -1.84 0.00 0.00 35.03 27.80 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 -5.43 4.04 0.31 1.97 -2.07 -1.18 -2.45 119.66 114.85 2fe0 s GLN 47 Ca 0.17 -0.03 -0.23 0.00 -1.82 0.00 0.00 55.36 53.46 2fe0 s GLN 47 Cb -0.08 -3.62 -0.09 0.00 -1.09 0.00 0.00 33.01 28.12 2fe0 s GLN 47 CO 0.21 -0.19 0.87 -1.58 -1.32 0.00 0.00 175.29 173.28 2fe0 s TRP 48 N 1.79 3.60 0.01 9.60 0.52 0.25 -3.10 118.94 131.61 2fe0 s TRP 48 Ca 0.13 1.60 -0.08 0.00 0.02 0.00 0.00 56.10 57.78 2fe0 s TRP 48 Cb -0.15 -2.79 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 2fe0 s TRP 48 CO 0.09 0.19 0.15 0.00 0.02 0.00 0.00 176.95 177.41 2fe0 s ALA 49 N -1.70 -0.34 -0.03 0.98 0.00 0.05 -0.86 121.76 119.87 2fe0 s ALA 49 Ca 0.50 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.36 2fe0 s ALA 49 Cb -0.16 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2fe0 s ALA 49 CO 0.21 -0.24 -0.17 0.71 0.00 0.00 0.00 175.76 176.27 2fe0 s TYR 50 N -1.61 1.63 -0.21 0.00 2.02 -1.21 -1.44 117.35 116.53 2fe0 s TYR 50 Ca -0.13 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2fe0 s TYR 50 Cb -0.06 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 2fe0 s TYR 50 CO 0.01 -0.08 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.26 2fe0 s TYR 51 N -0.23 2.93 -0.16 2.71 5.04 -1.25 -3.73 117.35 122.66 2fe0 s TYR 51 Ca 0.03 -1.86 -0.25 0.00 -2.44 0.00 0.00 57.07 52.55 2fe0 s TYR 51 Cb -0.09 -1.92 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 2fe0 s TYR 51 CO 0.00 -0.83 0.81 1.21 -1.34 0.00 0.00 175.55 175.40 2fe0 s ASN 52 N 1.23 6.94 -0.19 4.32 3.84 -1.26 -3.92 114.94 125.90 2fe0 s ASN 52 Ca 0.01 1.15 0.06 0.00 0.21 0.00 0.00 52.86 54.29 2fe0 s ASN 52 Cb -0.15 -2.44 -0.16 0.00 -0.55 0.00 0.00 41.25 37.94 2fe0 s ASN 52 CO -0.10 -0.36 -0.10 -0.90 -2.79 0.00 0.00 177.10 172.84 2fe0 n ASP 53 N 5.08 1.88 -4.63 -4.21 5.75 -1.25 -3.54 116.55 115.63 2fe0 n ASP 53 Ca 0.03 -0.07 -0.42 0.00 -0.01 0.00 0.00 54.79 54.32 2fe0 n ASP 53 Cb 0.49 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.65 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2fe0 s THR 54 N -2.41 3.05 -1.65 2.12 -4.23 -1.26 -4.71 115.64 106.55 2fe0 s THR 54 Ca -0.21 0.06 0.28 0.00 -1.18 0.00 0.00 61.69 60.64 2fe0 s THR 54 Cb 0.06 -3.05 0.41 0.00 1.34 0.00 0.00 72.50 71.26 2fe0 s THR 54 CO 0.55 -0.02 1.80 0.35 -0.54 0.00 0.00 174.62 176.76 2fe0 n THR 55 N 6.54 0.00 -0.13 3.99 -2.24 -1.26 -3.94 114.28 117.24 2fe0 n THR 55 Ca 0.24 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 2fe0 n THR 55 Cb 0.43 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 2fe0 n THR 55 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2fe0 n GLN 56 N -0.91 0.62 -4.48 -0.78 7.27 -1.26 -4.96 117.38 112.89 2fe0 n GLN 56 Ca 0.14 0.19 -0.31 0.00 0.07 0.00 0.00 57.00 57.09 2fe0 n GLN 56 Cb 0.29 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.33 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2fe0 s TYR 57 N -2.51 2.66 0.16 3.69 2.02 -1.25 -2.07 117.35 120.04 2fe0 s TYR 57 Ca -0.36 -0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 2fe0 s TYR 57 Cb 0.11 -1.47 -0.07 0.00 -0.40 0.00 0.00 41.96 40.14 2fe0 s TYR 57 CO 0.55 0.33 0.51 -1.83 -1.57 0.00 0.00 175.55 173.54 2fe0 s GLU 58 N -1.71 3.86 -0.27 -0.62 1.03 0.35 -4.53 118.70 116.83 2fe0 s GLU 58 Ca 0.17 0.33 -0.19 0.00 0.03 0.00 0.00 54.97 55.31 2fe0 s GLU 58 Cb -0.11 -2.86 -0.02 0.00 -0.80 0.00 0.00 34.13 30.34 2fe0 s GLU 58 CO 0.08 0.45 0.57 -1.64 -1.33 0.00 0.00 175.26 173.39 2fe0 s MET 59 N -2.24 4.05 -0.24 -4.83 -1.94 -1.15 -2.36 119.30 110.60 2fe0 s MET 59 Ca 0.40 0.40 -0.09 0.00 -1.71 0.00 0.00 55.69 54.68 2fe0 s MET 59 Cb -0.13 -3.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 2fe0 s MET 59 CO 0.20 -0.41 0.11 -1.01 -0.01 0.00 0.00 175.02 173.90 2fe0 s HIS 60 N 2.42 3.19 -0.20 -0.03 3.76 -1.14 -1.96 115.29 121.32 2fe0 s HIS 60 Ca 0.23 -0.07 -0.08 0.00 -0.15 0.00 0.00 55.06 55.00 2fe0 s HIS 60 Cb -0.15 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2fe0 s HIS 60 CO 0.09 -0.12 0.08 0.08 -0.85 0.00 0.00 174.74 174.02 2fe0 s VAL 61 N 1.29 4.76 -0.35 -0.90 1.01 -0.87 -3.36 120.40 121.98 2fe0 s VAL 61 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2fe0 s VAL 61 Cb -0.14 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 33.20 2fe0 s VAL 61 CO 0.05 0.42 0.25 -0.22 0.00 0.00 0.00 175.10 175.59 2fe0 s LEU 62 N 0.74 0.61 -0.11 3.92 2.96 -0.87 -2.32 118.68 123.62 2fe0 s LEU 62 Ca 0.04 -1.88 0.01 0.00 -0.22 0.00 0.00 54.13 52.08 2fe0 s LEU 62 Cb -0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 2fe0 s LEU 62 CO 0.02 -0.31 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.90 2fe0 s VAL 63 N 1.33 2.93 -0.11 1.68 1.01 -1.20 -1.13 120.40 124.91 2fe0 s VAL 63 Ca 0.16 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2fe0 s VAL 63 Cb -0.20 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2fe0 s VAL 63 CO -0.05 0.54 -0.05 -0.89 0.00 0.00 0.00 175.10 174.65 2fe0 s THR 64 N 0.09 3.82 0.29 3.92 2.01 0.16 -2.69 115.64 123.24 2fe0 s THR 64 Ca -0.06 -0.41 0.11 0.00 0.31 0.00 0.00 61.69 61.64 2fe0 s THR 64 Cb -0.15 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2fe0 s THR 64 CO 0.05 0.56 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.02 2fe0 s PHE 65 N -0.32 2.36 0.55 4.92 0.40 0.83 -0.37 117.98 126.35 2fe0 s PHE 65 Ca 0.05 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.95 2fe0 s PHE 65 Cb -0.12 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 2fe0 s PHE 65 CO 0.02 0.67 0.90 1.21 0.70 0.00 0.00 175.22 178.73 2fe0 s ASN 66 N -3.55 6.17 0.24 1.36 2.47 -1.25 0.22 114.94 120.59 2fe0 s ASN 66 Ca 0.31 1.11 -0.05 0.00 0.42 0.00 0.00 52.86 54.64 2fe0 s ASN 66 Cb -0.04 -2.28 0.45 0.00 -1.45 0.00 0.00 41.25 37.93 2fe0 s ASN 66 CO 0.16 -0.75 1.69 -0.08 -3.72 0.00 0.00 177.10 174.40 2fe0 h GLU 67 N -0.05 0.28 -4.10 0.43 4.81 -1.39 -3.00 114.58 111.56 2fe0 h GLU 67 Ca -0.46 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.14 2fe0 h GLU 67 Cb 1.20 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.55 2fe0 h GLU 67 CO 0.62 0.18 2.62 -3.47 -0.73 0.00 0.00 179.01 178.23 2fe0 n ASP 68 N -5.14 3.58 -3.28 1.04 2.03 -1.26 -4.70 116.55 108.83 2fe0 n ASP 68 Ca 0.14 -2.64 -0.05 0.00 0.52 0.00 0.00 54.79 52.76 2fe0 n ASP 68 Cb 0.44 -1.24 -0.05 0.00 -0.72 0.00 0.00 41.12 39.55 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 n ASP 70 N 5.38 3.92 -4.42 0.00 2.03 -1.21 -4.90 116.55 117.34 2fe0 n ASP 70 Ca -0.01 -2.81 -0.21 0.00 0.52 0.00 0.00 54.79 52.28 2fe0 n ASP 70 Cb 0.50 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.11 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 7.04 1.87 0.03 5.18 -4.36 -1.26 -0.50 121.20 129.19 2fe0 s ILE 71 Ca 0.60 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2fe0 s ILE 71 Cb 0.04 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.42 2fe0 s ILE 71 CO 0.09 -0.39 0.03 2.29 0.24 0.00 0.00 174.94 177.20 2fe0 n LYS 72 N -0.55 0.04 -4.71 0.37 2.85 -0.34 -4.98 118.16 110.84 2fe0 n LYS 72 Ca -0.06 -0.25 -0.34 0.00 -1.05 0.00 0.00 58.31 56.62 2fe0 n LYS 72 Cb 0.62 0.22 -0.12 0.00 -0.65 0.00 0.00 35.03 35.10 2fe0 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2fe0 s ALA 73 N -1.94 2.88 0.00 0.58 0.00 -1.26 -3.33 121.76 118.69 2fe0 s ALA 73 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2fe0 s ALA 73 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2fe0 s ALA 73 CO 0.02 0.56 0.00 1.28 0.00 0.00 0.00 175.76 177.62 2fe0 n LEU 74 N 2.27 0.00 0.00 0.00 4.77 -0.66 -4.90 117.00 118.48 2fe0 n LEU 74 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2fe0 n LEU 74 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2fe0 n LEU 74 CO 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2fe0 n GLY 75 N 3.72 -3.47 0.00 -0.72 0.00 -1.24 -4.66 105.19 98.83 2fe0 n GLY 75 Ca 0.00 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 0.57 -1.71 1.61 2.85 -1.26 -4.84 118.16 115.38 2fe0 n LYS 76 Ca 0.00 0.03 -0.58 0.00 -1.05 0.00 0.00 58.31 56.71 2fe0 n LYS 76 Cb 0.00 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.81 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 -1.12 0.28 -2.79 0.58 -1.04 -1.26 -4.88 114.28 104.06 2fe0 n THR 77 Ca 0.15 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 2fe0 n THR 77 Cb 0.12 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 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 3.40 4.26 -0.13 -2.82 2.20 -1.19 -4.61 119.74 120.86 2fe0 s LYS 78 Ca 0.98 1.16 -0.00 0.00 -0.36 0.00 0.00 55.97 57.75 2fe0 s LYS 78 Cb -1.10 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 31.59 2fe0 s LYS 78 CO 0.66 -0.49 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.87 2fe0 s LEU 79 N 2.71 2.74 -0.05 5.43 2.96 -1.26 -3.33 118.68 127.88 2fe0 s LEU 79 Ca 0.40 -0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 53.81 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 0.16 0.40 -0.70 -1.32 0.00 0.00 176.35 174.98 2fe0 s GLU 80 N 0.38 0.71 0.08 1.98 2.56 -0.98 -5.00 118.70 118.44 2fe0 s GLU 80 Ca -0.10 0.04 0.03 0.00 0.00 0.00 0.00 54.97 54.94 2fe0 s GLU 80 Cb -0.16 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 2fe0 s GLU 80 CO 0.05 -0.19 0.10 -1.14 -0.56 0.00 0.00 175.26 173.53 2fe0 s GLN 81 N -1.00 2.98 0.40 4.30 0.74 -1.26 -1.09 119.66 124.73 2fe0 s GLN 81 Ca -0.10 -0.65 0.08 0.00 0.05 0.00 0.00 55.36 54.73 2fe0 s GLN 81 Cb -0.04 -2.78 -0.01 0.00 1.10 0.00 0.00 33.01 31.28 2fe0 s GLN 81 CO 0.05 0.57 0.45 -0.65 -0.55 0.00 0.00 175.29 175.16 2fe0 s GLN 82 N -2.43 2.71 0.24 1.67 -1.52 0.13 -4.95 119.66 115.52 2fe0 s GLN 82 Ca 0.30 -1.35 -0.04 0.00 -1.95 0.00 0.00 55.36 52.32 2fe0 s GLN 82 Cb -0.12 -2.57 0.27 0.00 -0.22 0.00 0.00 33.01 30.36 2fe0 s GLN 82 CO 0.23 -0.18 1.74 0.93 -0.25 0.00 0.00 175.29 177.77 2fe0 h GLU 83 N 0.88 0.90 -0.14 2.91 5.08 -2.00 -2.11 114.58 120.10 2fe0 h GLU 83 Ca -0.41 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 57.75 2fe0 h GLU 83 Cb 1.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2fe0 h GLU 83 CO 0.52 0.86 0.19 -2.95 -1.00 0.00 0.00 179.01 176.63 2fe0 h ASN 84 N 0.84 0.00 0.00 1.42 -0.00 -2.05 -3.45 115.58 112.34 2fe0 h ASN 84 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 2fe0 h ASN 84 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 2fe0 h ASN 84 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.06 2fe0 n GLY 85 N -1.35 0.57 3.01 9.14 0.00 -0.79 -5.00 105.19 110.76 2fe0 n GLY 85 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 0.52 0.38 -0.06 1.61 2.02 -1.25 -0.97 118.70 120.95 2fe0 s GLU 86 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.26 2fe0 s GLU 86 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 2fe0 s GLU 86 CO 0.00 -0.04 0.06 -1.58 0.02 0.00 0.00 175.26 173.72 2fe0 s TRP 87 N -1.75 3.29 -0.04 1.61 0.52 0.13 -0.69 118.94 122.02 2fe0 s TRP 87 Ca -0.12 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.31 2fe0 s TRP 87 Cb -0.08 -1.80 -0.00 0.00 -1.15 0.00 0.00 33.47 30.44 2fe0 s TRP 87 CO -0.02 0.55 -0.16 0.08 0.02 0.00 0.00 176.95 177.43 2fe0 s VAL 88 N -1.02 1.34 -0.22 4.03 1.01 -0.25 -0.12 120.40 125.18 2fe0 s VAL 88 Ca 0.17 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2fe0 s VAL 88 Cb -0.12 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.18 2fe0 s VAL 88 CO 0.07 0.39 0.10 0.00 0.00 0.00 0.00 175.10 175.66 2fe0 s ALA 89 N 0.06 0.55 0.01 5.51 0.00 -1.10 -2.31 121.76 124.49 2fe0 s ALA 89 Ca -0.04 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.37 2fe0 s ALA 89 Cb -0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2fe0 s ALA 89 CO 0.02 -1.35 -0.21 -1.54 0.00 0.00 0.00 175.76 172.69 2fe0 s SER 90 N 2.09 3.57 -0.24 0.00 1.04 -1.21 -3.25 113.70 115.70 2fe0 s SER 90 Ca 0.04 -0.42 -0.26 0.00 0.48 0.00 0.00 55.95 55.79 2fe0 s SER 90 Cb -0.16 -0.54 0.09 0.00 0.10 0.00 0.00 66.02 65.51 2fe0 s SER 90 CO -0.19 0.29 0.80 0.54 0.98 0.00 0.00 173.24 175.66 2fe0 s VAL 91 N -0.80 0.00 -0.15 5.02 0.11 -0.98 -3.14 120.40 120.46 2fe0 s VAL 91 Ca 0.13 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.11 2fe0 s VAL 91 Cb -0.10 -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 0.08 -0.69 -3.33 0.00 0.00 175.10 171.18 2fe0 s VAL 92 N 0.06 4.95 -0.13 2.04 1.01 -1.26 -2.05 120.40 125.02 2fe0 s VAL 92 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 2fe0 s VAL 92 Cb -0.04 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2fe0 s VAL 92 CO 0.01 0.52 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 2fe0 s VAL 93 N -0.21 3.01 0.22 2.92 1.01 -0.83 -5.03 120.40 121.48 2fe0 s VAL 93 Ca 0.08 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2fe0 s VAL 93 Cb -0.12 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 2fe0 s VAL 93 CO 0.01 0.52 0.48 -0.31 0.00 0.00 0.00 175.10 175.81 2fe0 s TYR 94 N 0.37 3.46 0.71 5.22 2.02 -1.26 -2.93 117.35 124.95 2fe0 s TYR 94 Ca -0.11 0.65 -0.16 0.00 -0.37 0.00 0.00 57.07 57.08 2fe0 s TYR 94 Cb -0.16 -2.09 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 2fe0 s TYR 94 CO 0.06 0.30 1.26 -1.25 -1.57 0.00 0.00 175.55 174.34 2fe0 s PRO 95 N -3.05 2.17 0.00 -1.71 0.04 -1.26 -2.16 135.00 129.03 2fe0 s PRO 95 Ca 0.43 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2fe0 s PRO 95 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2fe0 s PRO 95 CO 0.26 -1.86 0.00 0.00 0.04 0.00 0.00 177.00 175.44 2fe0 s GLU 97 N -1.40 0.38 -0.04 0.00 0.41 -0.92 -5.09 118.70 112.05 2fe0 s GLU 97 Ca 0.00 -0.34 0.05 0.00 -0.41 0.00 0.00 54.97 54.27 2fe0 s GLU 97 Cb 0.00 -0.28 -0.01 0.00 -1.78 0.00 0.00 34.13 32.06 2fe0 s GLU 97 CO 0.00 0.07 -0.20 0.99 -0.49 0.00 0.00 175.26 175.63 2fe0 s THR 98 N -0.54 1.60 0.15 3.63 2.01 -1.26 -4.08 115.64 117.14 2fe0 s THR 98 Ca -0.03 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.19 2fe0 s THR 98 Cb -0.04 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2fe0 s THR 98 CO -0.00 0.45 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.66 2fe0 s GLU 99 N -0.18 1.07 0.38 4.92 2.02 -1.24 -5.02 118.70 120.65 2fe0 s GLU 99 Ca 0.00 -1.42 -0.16 0.00 0.02 0.00 0.00 54.97 53.41 2fe0 s GLU 99 Cb -0.11 -0.70 -0.09 0.00 0.10 0.00 0.00 34.13 33.34 2fe0 s GLU 99 CO 0.01 0.10 0.83 -1.64 0.02 0.00 0.00 175.26 174.58 2fe0 s MET 100 N -3.55 4.04 0.00 1.61 -1.94 -1.26 -3.36 119.30 114.84 2fe0 s MET 100 Ca 0.16 0.80 0.00 0.00 -1.71 0.00 0.00 55.69 54.94 2fe0 s MET 100 Cb 0.01 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.53 2fe0 s MET 100 CO 0.01 0.04 0.00 0.34 -0.01 0.00 0.00 175.02 175.40 2fe0 n PHE 101 N -0.67 0.00 -4.31 -0.03 7.35 -0.04 -3.68 117.46 116.08 2fe0 n PHE 101 Ca 0.05 0.00 -0.17 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 40.26 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 1.11 1.33 0.07 -2.13 -5.25 -1.24 -1.65 121.20 113.45 2fe0 s ILE 102 Ca 0.00 -2.10 0.01 0.00 -0.99 0.00 0.00 60.65 57.57 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 -0.55 -0.06 -0.70 -1.79 0.00 0.00 174.94 171.84 2fe0 s GLU 103 N -3.75 0.67 0.00 0.37 2.12 -1.21 0.87 118.70 117.77 2fe0 s GLU 103 Ca 0.23 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.43 2fe0 s GLU 103 Cb 0.03 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2fe0 s GLU 103 CO 0.05 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2fe0 n GLY 104 N 0.45 0.47 3.81 -1.50 0.00 -1.03 -1.20 105.19 106.19 2fe0 n GLY 104 Ca -0.16 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.17 4.21 -0.04 1.61 3.52 0.34 -4.87 118.95 123.56 2fe0 s ARG 105 Ca 0.00 0.75 0.04 0.00 -0.13 0.00 0.00 55.73 56.39 2fe0 s ARG 105 Cb 0.00 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2fe0 s ARG 105 CO 0.00 0.60 -0.16 0.08 -0.81 0.00 0.00 175.30 175.02 2fe0 s VAL 106 N -1.18 1.30 -0.15 7.11 1.01 -1.26 -3.36 120.40 123.87 2fe0 s VAL 106 Ca 0.31 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 2fe0 s VAL 106 Cb -0.19 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.14 2fe0 s VAL 106 CO 0.20 0.38 0.28 0.54 0.00 0.00 0.00 175.10 176.49 2fe0 s ASN 107 N 0.04 0.42 -0.09 3.32 4.22 -1.26 -5.04 114.94 116.56 2fe0 s ASN 107 Ca -0.03 0.51 -0.06 0.00 -2.14 0.00 0.00 52.86 51.14 2fe0 s ASN 107 Cb -0.11 0.73 0.02 0.00 1.28 0.00 0.00 41.25 43.18 2fe0 s ASN 107 CO 0.02 -0.25 0.13 0.61 -2.04 0.00 0.00 177.10 175.56 2fe0 n GLY 108 N 5.35 -3.76 3.24 0.45 0.00 -1.26 -4.59 105.19 104.62 2fe0 n GLY 108 Ca -0.06 0.92 -0.10 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.44 0.03 -0.17 1.61 -0.71 -1.26 -3.94 117.98 113.09 2fe0 s PHE 109 Ca -0.14 -0.39 -0.05 0.00 -1.04 0.00 0.00 56.93 55.30 2fe0 s PHE 109 Cb 0.01 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 2fe0 s PHE 109 CO 0.39 -0.57 0.01 0.21 -1.34 0.00 0.00 175.22 173.92 2fe0 s LYS 110 N -3.62 3.79 -0.09 1.99 2.20 0.50 -4.96 119.74 119.56 2fe0 s LYS 110 Ca 0.03 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.22 2fe0 s LYS 110 Cb 0.03 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2fe0 s LYS 110 CO -0.10 0.24 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.81 2fe0 s SER 111 N 0.42 3.49 -0.05 1.43 0.01 -1.26 0.40 113.70 118.14 2fe0 s SER 111 Ca -0.01 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 2fe0 s SER 111 Cb -0.13 -1.19 0.03 0.00 0.21 0.00 0.00 66.02 64.94 2fe0 s SER 111 CO 0.02 0.22 0.02 -0.75 0.41 0.00 0.00 173.24 173.16 2fe0 s LYS 112 N 0.01 0.25 0.23 12.44 2.20 -0.28 -5.00 119.74 129.58 2fe0 s LYS 112 Ca -0.07 0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.79 2fe0 s LYS 112 Cb -0.15 -0.64 -0.05 0.00 -1.51 0.00 0.00 37.83 35.48 2fe0 s LYS 112 CO 0.05 -0.26 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.09 2fe0 s MET 113 N 1.74 1.34 0.27 4.03 -1.94 -1.26 -2.05 119.30 121.43 2fe0 s MET 113 Ca 0.00 -1.66 -0.17 0.00 -1.71 0.00 0.00 55.69 52.16 2fe0 s MET 113 Cb -0.13 -0.81 0.01 0.00 2.01 0.00 0.00 34.83 35.92 2fe0 s MET 113 CO -0.03 -0.00 0.61 0.34 -0.01 0.00 0.00 175.02 175.92 2fe0 s ASP 114 N -3.32 -0.16 -0.43 3.03 -1.08 -1.21 -5.03 116.67 108.47 2fe0 s ASP 114 Ca 0.26 -0.79 0.03 0.00 -0.52 0.00 0.00 52.55 51.53 2fe0 s ASP 114 Cb 0.04 0.67 0.12 0.00 -1.46 0.00 0.00 42.92 42.29 2fe0 s ASP 114 CO 0.08 -1.27 0.19 0.00 0.52 0.00 0.00 175.17 174.69 2fe0 s ALA 115 N -3.90 2.70 0.27 3.66 0.00 -1.26 -2.90 121.76 120.33 2fe0 s ALA 115 Ca 0.17 -2.75 -0.09 0.00 0.00 0.00 0.00 51.96 49.29 2fe0 s ALA 115 Cb -0.03 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 2fe0 s ALA 115 CO 0.08 -1.92 0.59 -0.51 0.00 0.00 0.00 175.76 174.00 2fe0 s LEU 116 N 0.36 4.10 0.08 0.00 1.43 -0.99 -4.82 118.68 118.84 2fe0 s LEU 116 Ca 0.15 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 2fe0 s LEU 116 Cb -0.23 -3.73 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 2fe0 s LEU 116 CO -0.04 -0.14 1.17 -2.16 0.23 0.00 0.00 176.35 175.40 2fe0 s PRO 117 N -3.08 4.47 -0.47 1.29 0.04 -1.26 0.13 135.00 136.12 2fe0 s PRO 117 Ca 0.48 1.74 -0.32 0.00 0.04 0.00 0.00 61.00 62.94 2fe0 s PRO 117 Cb -0.11 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 2fe0 s PRO 117 CO 0.23 -0.18 2.33 1.28 0.04 0.00 0.00 177.00 180.70 2fe0 n LEU 118 N 3.59 1.99 0.00 -3.56 4.77 -0.88 -4.78 117.00 118.14 2fe0 n LEU 118 Ca 0.07 0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 2fe0 n LEU 118 Cb 0.47 -1.32 0.15 0.00 -2.33 0.00 0.00 43.42 40.39 2fe0 n LEU 118 CO 0.55 -0.94 0.67 -1.20 -1.33 0.00 0.00 177.39 175.14 2fe0 n SER 119 N 11.65 0.22 0.04 -1.43 7.64 -1.26 -4.84 113.62 125.63 2fe0 n SER 119 Ca 0.43 -1.46 0.20 0.00 1.01 0.00 0.00 58.87 59.05 2fe0 n SER 119 Cb 0.30 -0.77 0.71 0.00 -1.01 0.00 0.00 64.21 63.44 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 4.11 -2.01 0.63 114.58 117.85 2fe0 h GLU 120 Ca -0.33 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.14 2fe0 h GLU 120 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 2fe0 h GLU 120 CO 0.25 0.00 0.58 1.05 0.07 0.00 0.00 179.01 180.96 2fe0 h GLU 121 N 0.00 1.07 -0.68 1.06 -0.00 -1.98 -1.61 114.58 112.44 2fe0 h GLU 121 Ca 0.22 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.36 59.46 2fe0 h GLU 121 Cb 0.95 -0.24 -0.03 0.00 -0.00 0.00 0.00 28.75 29.43 2fe0 h GLU 121 CO -0.00 0.71 0.19 -0.92 -0.00 0.00 0.00 179.01 178.99 2fe0 h TYR 122 N 1.10 1.11 -1.00 2.06 3.20 -1.19 -2.58 116.97 119.67 2fe0 h TYR 122 Ca 0.36 -0.12 0.10 0.00 3.14 0.00 0.00 58.73 62.20 2fe0 h TYR 122 Cb 0.04 -0.32 -0.08 0.00 1.54 0.00 0.00 36.73 37.92 2fe0 h TYR 122 CO -0.00 0.90 0.64 0.00 -1.64 0.00 0.00 178.16 178.05 2fe0 h ARG 123 N 1.00 1.04 -0.54 1.82 2.47 -1.28 -0.13 114.38 118.75 2fe0 h ARG 123 Ca 0.22 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.82 2fe0 h ARG 123 Cb 0.32 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2fe0 h ARG 123 CO -0.00 0.69 0.11 0.37 0.56 0.00 0.00 179.97 181.69 2fe0 h GLN 124 N 1.07 0.83 0.00 0.04 5.75 -1.14 -1.24 115.11 120.42 2fe0 h GLN 124 Ca 0.46 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 2fe0 h GLN 124 Cb 0.35 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.78 2fe0 h GLN 124 CO -0.22 0.76 0.00 1.25 -2.65 0.00 0.00 178.83 177.97 2fe0 h HIS 125 N 0.80 0.00 0.00 3.99 2.76 -0.76 -1.53 115.15 120.41 2fe0 h HIS 125 Ca 0.17 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.05 2fe0 h HIS 125 Cb 0.32 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 2fe0 h HIS 125 CO 0.02 0.00 -1.68 1.96 -1.30 0.00 0.00 177.93 176.92 2fe0 h GLN 126 N 0.00 0.01 -0.34 5.26 4.20 -0.92 -3.32 115.11 120.00 2fe0 h GLN 126 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2fe0 h GLN 126 Cb 0.18 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2fe0 h GLN 126 CO 0.00 0.54 0.05 0.00 -0.67 0.00 0.00 178.83 178.74 2fe0 h ALA 127 N 0.97 0.46 -0.81 3.87 0.00 -0.91 -2.45 119.26 120.38 2fe0 h ALA 127 Ca -0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2fe0 h ALA 127 Cb 2.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 2fe0 h ALA 127 CO 0.08 0.17 0.45 1.05 0.00 0.00 0.00 179.25 181.00 2fe0 h GLU 128 N 0.41 1.12 -0.25 0.00 4.11 -1.68 -1.71 114.58 116.59 2fe0 h GLU 128 Ca 0.10 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2fe0 h GLU 128 Cb 0.37 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2fe0 h GLU 128 CO 0.01 0.82 -0.02 0.87 0.07 0.00 0.00 179.01 180.76 2fe0 h LYS 129 N 1.13 0.37 -7.01 1.06 1.57 -1.60 -3.42 116.57 108.67 2fe0 h LYS 129 Ca 0.29 -0.07 -0.50 0.00 -1.87 0.00 0.00 60.65 58.50 2fe0 h LYS 129 Cb 0.02 -0.06 0.05 0.00 0.08 0.00 0.00 32.23 32.32 2fe0 h LYS 129 CO -0.05 0.42 0.46 -0.51 -0.57 0.00 0.00 179.45 179.20 2fe0 s ASP 130 N -6.81 6.23 0.00 0.86 1.01 -0.64 -5.12 116.67 112.19 2fe0 s ASP 130 Ca -0.07 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.43 2fe0 s ASP 130 Cb 0.16 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2fe0 s ASP 130 CO 0.74 -0.87 0.04 0.29 0.21 0.00 0.00 175.17 175.58