#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 -0.86 3.02 -5.12 0.00 -1.26 -5.11 105.19 95.87 2fe0 n GLY 2 Ca 0.00 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 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 2.91 0.98 0.00 0.00 0.00 -1.26 -4.91 105.19 102.92 2fe0 n GLY 4 Ca -0.14 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n ALA 5 N 1.82 0.00 -1.21 4.61 0.00 -1.26 -5.15 120.51 119.32 2fe0 n ALA 5 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 2fe0 n ALA 5 Cb 0.34 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.91 2fe0 n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2fe0 s SER 6 N 2.00 3.76 0.12 0.00 0.01 -1.26 -5.02 113.70 113.30 2fe0 s SER 6 Ca 0.00 2.41 0.07 0.00 1.31 0.00 0.00 55.95 59.74 2fe0 s SER 6 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2fe0 s SER 6 CO 0.00 -2.56 -0.07 -0.94 0.41 0.00 0.00 173.24 170.08 2fe0 s SER 7 N -2.03 4.55 0.00 2.44 1.04 -1.26 -5.02 113.70 113.42 2fe0 s SER 7 Ca 0.75 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2fe0 s SER 7 Cb -0.30 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2fe0 s SER 7 CO 0.49 0.16 0.00 1.21 0.98 0.00 0.00 173.24 176.08 2fe0 n GLU 8 N 0.51 0.00 -3.63 4.02 2.13 -1.26 -5.04 120.64 117.37 2fe0 n GLU 8 Ca -0.12 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.48 2fe0 n GLU 8 Cb 0.53 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.30 2fe0 n GLU 8 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2fe0 n ASN 9 N 0.00 -3.23 0.00 4.31 5.03 -1.26 -4.95 115.26 115.16 2fe0 n ASN 9 Ca 0.00 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.76 2fe0 n ASN 9 Cb 0.00 -4.60 0.00 0.00 -1.02 0.00 0.00 39.78 34.16 2fe0 n ASN 9 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2fe0 n SER 10 N -3.04 0.00 0.00 6.41 2.88 -1.26 -4.78 113.62 113.83 2fe0 n SER 10 Ca -0.17 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2fe0 n SER 10 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2fe0 n SER 10 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2fe0 n SER 11 N -0.19 0.00 -3.91 -3.46 2.88 -1.26 -4.66 113.62 103.02 2fe0 n SER 11 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2fe0 n SER 11 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2fe0 s VAL 12 N 0.00 0.22 -0.19 2.46 1.01 -1.26 -4.99 120.40 117.65 2fe0 s VAL 12 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2fe0 s VAL 12 Cb 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 36.38 36.23 2fe0 s VAL 12 CO 0.00 0.08 0.03 -0.89 0.00 0.00 0.00 175.10 174.32 2fe0 s THR 13 N 0.08 0.56 0.82 3.92 2.01 -1.26 -5.14 115.64 116.62 2fe0 s THR 13 Ca -0.00 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 2fe0 s THR 13 Cb -0.03 -1.03 0.08 0.00 0.01 0.00 0.00 72.50 71.53 2fe0 s THR 13 CO -0.00 -0.17 1.11 -0.31 -0.69 0.00 0.00 174.62 174.56 2fe0 s TYR 14 N 1.85 2.81 0.28 4.92 1.51 -1.26 -4.92 117.35 122.54 2fe0 s TYR 14 Ca -0.01 1.03 0.00 0.00 -1.01 0.00 0.00 57.07 57.08 2fe0 s TYR 14 Cb -0.17 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.46 2fe0 s TYR 14 CO -0.08 -1.86 0.00 1.55 -1.11 0.00 0.00 175.55 174.05 2fe0 n VAL 15 N -3.46 0.00 0.19 0.71 3.14 -1.26 -4.88 118.33 112.78 2fe0 n VAL 15 Ca 0.07 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.51 2fe0 n VAL 15 Cb 0.58 -0.49 0.38 0.00 -1.06 0.00 0.00 33.84 33.24 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 -1.95 -3.48 115.58 119.05 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.75 2fe0 n GLY 17 N 0.05 -0.43 3.90 2.83 0.00 -1.26 -5.13 105.19 105.16 2fe0 n GLY 17 Ca -0.01 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 3.52 0.38 1.61 1.81 -1.26 -4.83 118.95 118.18 2fe0 s ARG 18 Ca 0.00 -0.24 -0.26 0.00 -1.72 0.00 0.00 55.73 53.51 2fe0 s ARG 18 Cb 0.00 -3.01 -0.09 0.00 -0.45 0.00 0.00 34.95 31.40 2fe0 s ARG 18 CO 0.00 0.59 1.18 -1.25 -0.68 0.00 0.00 175.30 175.15 2fe0 s PRO 19 N -2.27 4.15 0.00 3.54 0.04 -1.26 -4.92 135.00 134.28 2fe0 s PRO 19 Ca 0.33 1.90 0.25 0.00 0.04 0.00 0.00 61.00 63.52 2fe0 s PRO 19 Cb -0.13 -2.78 1.09 0.00 0.04 0.00 0.00 34.50 32.72 2fe0 s PRO 19 CO 0.23 -0.25 1.81 0.25 0.04 0.00 0.00 177.00 179.07 2fe0 n THR 20 N 0.29 0.27 -5.11 1.26 -2.24 -1.26 -4.73 114.28 102.76 2fe0 n THR 20 Ca 0.03 0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 2fe0 n THR 20 Cb 0.46 -0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 67.90 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2fe0 s PHE 21 N -2.96 2.50 -0.04 4.78 5.36 -1.26 -5.12 117.98 121.24 2fe0 s PHE 21 Ca 0.13 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.79 2fe0 s PHE 21 Cb 0.16 -1.56 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 2fe0 s PHE 21 CO 0.45 0.07 0.01 0.08 -1.46 0.00 0.00 175.22 174.36 2fe0 s VAL 22 N -0.67 0.18 0.00 3.12 1.01 -1.26 -5.03 120.40 117.75 2fe0 s VAL 22 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2fe0 s VAL 22 Cb -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2fe0 s VAL 22 CO -0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2fe0 n GLY 23 N 4.37 0.67 2.07 4.51 0.00 -1.26 -4.92 105.19 110.63 2fe0 n GLY 23 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2fe0 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fe0 n GLU 24 N 0.00 0.00 -3.45 1.61 2.13 0.32 -4.79 120.64 116.46 2fe0 n GLU 24 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2fe0 s GLU 25 N -2.00 4.22 -0.07 5.31 2.56 -0.67 -4.96 118.70 123.09 2fe0 s GLU 25 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.97 55.17 2fe0 s GLU 25 Cb 0.00 -3.49 -0.02 0.00 2.00 0.00 0.00 34.13 32.62 2fe0 s GLU 25 CO 0.00 0.08 -0.17 0.08 -0.56 0.00 0.00 175.26 174.69 2fe0 s VAL 26 N 0.94 2.79 -0.09 3.70 1.01 -1.26 -1.74 120.40 125.74 2fe0 s VAL 26 Ca 0.18 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2fe0 s VAL 26 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2fe0 s VAL 26 CO 0.07 0.57 0.25 -0.89 0.00 0.00 0.00 175.10 175.09 2fe0 s THR 27 N -0.27 0.00 0.02 3.92 2.01 -0.39 -4.96 115.64 115.97 2fe0 s THR 27 Ca 0.01 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2fe0 s THR 27 Cb -0.13 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 71.97 2fe0 s THR 27 CO 0.03 -0.01 0.58 -1.59 -0.69 0.00 0.00 174.62 172.94 2fe0 s LYS 28 N 0.10 4.27 -0.09 4.92 -2.85 -1.26 0.29 119.74 125.12 2fe0 s LYS 28 Ca -0.00 0.72 -0.03 0.00 -1.00 0.00 0.00 55.97 55.65 2fe0 s LYS 28 Cb -0.02 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.42 2fe0 s LYS 28 CO 0.00 0.46 0.12 0.78 0.10 0.00 0.00 175.35 176.81 2fe0 h GLY 29 N 5.29 -0.07 -4.71 0.59 0.00 -1.62 -3.45 103.07 99.10 2fe0 h GLY 29 Ca -0.47 0.03 -0.56 0.00 0.00 0.00 0.00 47.33 46.33 2fe0 h GLY 29 CO 0.68 -0.03 0.56 -1.36 0.00 0.00 0.00 176.54 176.39 2fe0 s PHE 30 N -1.82 3.52 0.27 5.60 0.08 -1.25 -4.93 117.98 119.46 2fe0 s PHE 30 Ca -0.02 1.60 0.09 0.00 0.12 0.00 0.00 56.93 58.72 2fe0 s PHE 30 Cb -0.00 -3.19 0.36 0.00 -0.57 0.00 0.00 43.02 39.62 2fe0 s PHE 30 CO 0.06 -0.22 1.62 1.49 -0.10 0.00 0.00 175.22 178.07 2fe0 h GLU 31 N 7.09 0.05 -7.11 0.44 4.81 -1.87 -3.38 114.58 114.61 2fe0 h GLU 31 Ca -0.31 -0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.36 2fe0 h GLU 31 Cb 1.15 0.01 0.11 0.00 0.63 0.00 0.00 28.75 30.64 2fe0 h GLU 31 CO 0.85 0.63 0.45 0.21 -0.73 0.00 0.00 179.01 180.43 2fe0 s LYS 32 N -3.69 2.98 1.14 1.92 2.47 -1.26 -4.75 119.74 118.55 2fe0 s LYS 32 Ca -0.02 1.76 0.00 0.00 -1.56 0.00 0.00 55.97 56.15 2fe0 s LYS 32 Cb 0.13 -1.94 0.00 0.00 -1.46 0.00 0.00 37.83 34.56 2fe0 s LYS 32 CO 0.77 -1.18 0.00 -0.25 0.16 0.00 0.00 175.35 174.85 2fe0 n ASP 33 N -1.66 -6.38 -0.28 1.43 8.00 -1.26 -3.35 116.55 113.05 2fe0 n ASP 33 Ca 0.13 0.61 0.20 0.00 0.71 0.00 0.00 54.79 56.43 2fe0 n ASP 33 Cb 0.50 -1.73 0.50 0.00 -0.02 0.00 0.00 41.12 40.37 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 -0.52 0.45 0.00 -2.24 -1.24 -1.91 -3.44 115.58 106.68 2fe0 h ASN 34 Ca 0.01 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2fe0 h ASN 34 Cb 0.51 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.54 2fe0 h ASN 34 CO 0.00 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 2fe0 n GLY 35 N -1.49 0.24 5.04 1.57 0.00 -1.21 -4.87 105.19 104.46 2fe0 n GLY 35 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.59 0.99 4.77 -1.26 -3.74 117.00 113.17 2fe0 n LEU 36 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2fe0 n LEU 36 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2fe0 n LEU 36 CO 0.00 0.00 -0.24 -0.22 -1.33 0.00 0.00 177.39 175.60 2fe0 s LEU 37 N 0.00 3.77 -0.25 2.23 2.96 -1.26 -3.92 118.68 122.22 2fe0 s LEU 37 Ca 0.00 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 2fe0 s LEU 37 Cb 0.00 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2fe0 s LEU 37 CO 0.00 0.10 0.08 -0.36 -1.32 0.00 0.00 176.35 174.86 2fe0 s PHE 38 N 0.79 3.11 -0.13 5.38 0.08 -1.25 -2.08 117.98 123.88 2fe0 s PHE 38 Ca 0.04 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 2fe0 s PHE 38 Cb -0.13 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2fe0 s PHE 38 CO 0.02 -0.30 1.17 0.50 -0.10 0.00 0.00 175.22 176.52 2fe0 s ARG 39 N 1.53 4.30 -0.16 0.44 3.52 0.84 -3.86 118.95 125.55 2fe0 s ARG 39 Ca 0.06 1.58 -0.05 0.00 -0.13 0.00 0.00 55.73 57.20 2fe0 s ARG 39 Cb -0.15 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2fe0 s ARG 39 CO 0.04 -0.55 -0.01 0.42 -0.81 0.00 0.00 175.30 174.39 2fe0 s ILE 40 N 2.82 4.12 -0.04 4.11 1.01 -0.48 -1.27 121.20 131.47 2fe0 s ILE 40 Ca 0.53 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2fe0 s ILE 40 Cb -0.21 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.45 2fe0 s ILE 40 CO 0.16 0.48 -0.06 -0.69 0.00 0.00 0.00 174.94 174.84 2fe0 s VAL 41 N 0.39 0.62 -0.41 2.92 1.01 -0.71 -1.10 120.40 123.13 2fe0 s VAL 41 Ca -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2fe0 s VAL 41 Cb -0.14 -0.62 0.11 0.00 0.00 0.00 0.00 36.38 35.73 2fe0 s VAL 41 CO 0.02 0.24 0.20 0.21 0.00 0.00 0.00 175.10 175.77 2fe0 s ASN 42 N 0.78 5.27 0.53 3.32 3.04 -1.20 0.12 114.94 126.80 2fe0 s ASN 42 Ca -0.11 -1.97 0.28 0.00 0.04 0.00 0.00 52.86 51.10 2fe0 s ASN 42 Cb -0.14 -1.84 1.43 0.00 -1.54 0.00 0.00 41.25 39.16 2fe0 s ASN 42 CO 0.01 -0.54 1.94 0.11 -3.04 0.00 0.00 177.10 175.58 2fe0 h LYS 43 N 8.08 0.02 -0.07 0.43 1.57 -1.92 3.16 116.57 127.84 2fe0 h LYS 43 Ca -0.14 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2fe0 h LYS 43 Cb 1.05 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 2fe0 h LYS 43 CO 0.70 0.01 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.96 2fe0 h LYS 44 N 0.02 -0.50 -0.01 3.15 3.64 -1.95 -3.06 116.57 117.84 2fe0 h LYS 44 Ca 0.35 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2fe0 h LYS 44 Cb 1.37 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2fe0 h LYS 44 CO -0.01 -0.34 -0.14 1.63 -2.27 0.00 0.00 179.45 178.32 2fe0 n LYS 45 N -5.44 1.43 -3.08 1.90 5.02 -0.70 -4.98 118.16 112.30 2fe0 n LYS 45 Ca -0.05 -0.94 -0.22 0.00 -2.02 0.00 0.00 58.31 55.08 2fe0 n LYS 45 Cb 0.36 -1.19 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.21 -4.12 -3.48 1.97 4.76 1.04 -4.25 118.16 114.29 2fe0 n LYS 46 Ca 0.06 0.75 -0.38 0.00 -2.87 0.00 0.00 58.31 55.87 2fe0 n LYS 46 Cb 0.29 -5.54 -0.09 0.00 -1.84 0.00 0.00 35.03 27.85 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 -5.75 4.07 0.23 1.97 -2.07 -1.19 -2.49 119.66 114.43 2fe0 s GLN 47 Ca 0.31 -0.04 -0.23 0.00 -1.82 0.00 0.00 55.36 53.58 2fe0 s GLN 47 Cb -0.15 -3.59 -0.09 0.00 -1.09 0.00 0.00 33.01 28.09 2fe0 s GLN 47 CO 0.38 -0.12 0.80 -1.58 -1.32 0.00 0.00 175.29 173.46 2fe0 s TRP 48 N 1.57 3.74 0.02 9.60 0.52 0.40 -3.24 118.94 131.56 2fe0 s TRP 48 Ca 0.13 1.57 -0.07 0.00 0.02 0.00 0.00 56.10 57.75 2fe0 s TRP 48 Cb -0.15 -2.75 -0.00 0.00 -1.15 0.00 0.00 33.47 29.42 2fe0 s TRP 48 CO 0.08 0.36 0.14 0.00 0.02 0.00 0.00 176.95 177.55 2fe0 s ALA 49 N -1.43 -0.26 -0.01 0.98 0.00 -0.26 -0.40 121.76 120.38 2fe0 s ALA 49 Ca 0.43 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2fe0 s ALA 49 Cb -0.19 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2fe0 s ALA 49 CO 0.23 -0.28 -0.12 0.71 0.00 0.00 0.00 175.76 176.30 2fe0 s TYR 50 N -2.05 1.13 -0.18 0.00 2.02 -1.22 -1.38 117.35 115.69 2fe0 s TYR 50 Ca -0.09 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 2fe0 s TYR 50 Cb -0.04 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 2fe0 s TYR 50 CO -0.02 -0.04 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.29 2fe0 s TYR 51 N -0.22 2.59 0.09 2.71 5.04 -1.25 -3.72 117.35 122.59 2fe0 s TYR 51 Ca 0.03 -1.54 -0.29 0.00 -2.44 0.00 0.00 57.07 52.83 2fe0 s TYR 51 Cb -0.06 -1.80 -0.06 0.00 0.35 0.00 0.00 41.96 40.40 2fe0 s TYR 51 CO -0.00 -0.76 0.91 1.21 -1.34 0.00 0.00 175.55 175.56 2fe0 s ASN 52 N 1.35 7.42 -0.09 4.32 3.84 -1.26 -3.95 114.94 126.57 2fe0 s ASN 52 Ca 0.04 1.70 -0.00 0.00 0.21 0.00 0.00 52.86 54.81 2fe0 s ASN 52 Cb -0.14 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 37.95 2fe0 s ASN 52 CO -0.12 -0.04 -0.09 -0.90 -2.79 0.00 0.00 177.10 173.16 2fe0 n ASP 53 N 2.77 2.86 -4.58 -4.21 5.75 -1.25 -4.38 116.55 113.52 2fe0 n ASP 53 Ca 0.01 -0.02 -0.45 0.00 -0.01 0.00 0.00 54.79 54.32 2fe0 n ASP 53 Cb 0.49 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fe0 n THR 54 N -2.88 0.36 1.42 2.12 -2.24 -1.26 -4.75 114.28 107.05 2fe0 n THR 54 Ca -0.17 -0.37 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 2fe0 n THR 54 Cb 0.67 -2.32 0.72 0.00 -2.10 0.00 0.00 70.33 67.30 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 7.30 0.00 -0.10 4.28 -2.24 -1.26 -3.68 114.28 118.58 2fe0 n THR 55 Ca 0.31 -0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.84 2fe0 n THR 55 Cb 0.39 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.21 0.63 -4.29 -0.78 7.27 -1.26 -4.97 117.38 112.77 2fe0 n GLN 56 Ca 0.14 0.31 -0.28 0.00 0.07 0.00 0.00 57.00 57.24 2fe0 n GLN 56 Cb 0.25 -1.60 -0.10 0.00 2.41 0.00 0.00 30.24 31.20 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 -2.49 2.61 0.21 3.69 2.02 -1.24 -2.68 117.35 119.47 2fe0 s TYR 57 Ca -0.33 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.07 2fe0 s TYR 57 Cb 0.10 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.29 2fe0 s TYR 57 CO 0.59 0.48 0.49 -1.83 -1.57 0.00 0.00 175.55 173.71 2fe0 s GLU 58 N -2.63 3.71 -0.26 -0.62 -1.05 0.30 -4.52 118.70 113.63 2fe0 s GLU 58 Ca 0.23 0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 54.99 2fe0 s GLU 58 Cb -0.09 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.85 2fe0 s GLU 58 CO 0.14 0.35 0.47 -1.64 0.95 0.00 0.00 175.26 175.53 2fe0 s MET 59 N -2.87 4.05 -0.21 -4.83 -1.94 -1.13 -2.48 119.30 109.89 2fe0 s MET 59 Ca 0.45 0.23 -0.05 0.00 -1.71 0.00 0.00 55.69 54.61 2fe0 s MET 59 Cb -0.11 -3.65 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 2fe0 s MET 59 CO 0.24 -0.33 -0.00 -1.01 -0.01 0.00 0.00 175.02 173.90 2fe0 s HIS 60 N 2.24 3.02 -0.15 -0.03 3.76 -1.00 -1.67 115.29 121.45 2fe0 s HIS 60 Ca 0.19 -0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 54.48 2fe0 s HIS 60 Cb -0.16 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2fe0 s HIS 60 CO 0.09 -0.32 0.06 0.08 -0.85 0.00 0.00 174.74 173.80 2fe0 s VAL 61 N 1.17 4.77 -0.34 -0.90 1.01 -0.87 -2.67 120.40 122.56 2fe0 s VAL 61 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2fe0 s VAL 61 Cb -0.14 -3.11 0.14 0.00 0.00 0.00 0.00 36.38 33.27 2fe0 s VAL 61 CO 0.01 0.51 0.27 -0.22 0.00 0.00 0.00 175.10 175.67 2fe0 s LEU 62 N -0.09 0.44 -0.09 3.92 2.96 -0.14 -2.63 118.68 123.05 2fe0 s LEU 62 Ca 0.07 -1.73 0.01 0.00 -0.22 0.00 0.00 54.13 52.26 2fe0 s LEU 62 Cb -0.12 0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.58 2fe0 s LEU 62 CO 0.01 -0.32 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.93 2fe0 s VAL 63 N 1.45 3.29 -0.08 1.68 1.01 -1.20 -0.70 120.40 125.85 2fe0 s VAL 63 Ca 0.16 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2fe0 s VAL 63 Cb -0.19 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2fe0 s VAL 63 CO -0.08 0.56 -0.09 -0.89 0.00 0.00 0.00 175.10 174.60 2fe0 s THR 64 N -0.30 3.51 0.36 3.92 2.01 0.14 -2.83 115.64 122.46 2fe0 s THR 64 Ca 0.03 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.57 2fe0 s THR 64 Cb -0.13 -2.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.87 2fe0 s THR 64 CO 0.03 0.58 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.12 2fe0 s PHE 65 N -0.51 2.40 0.36 4.92 0.40 0.08 -0.96 117.98 124.67 2fe0 s PHE 65 Ca 0.07 -0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 2fe0 s PHE 65 Cb -0.12 -1.50 -0.08 0.00 0.51 0.00 0.00 43.02 41.83 2fe0 s PHE 65 CO 0.02 0.50 0.74 1.21 0.70 0.00 0.00 175.22 178.39 2fe0 s ASN 66 N -3.63 6.63 0.28 1.36 2.47 -1.26 -1.29 114.94 119.50 2fe0 s ASN 66 Ca 0.33 1.18 0.01 0.00 0.42 0.00 0.00 52.86 54.81 2fe0 s ASN 66 Cb 0.05 -2.34 0.66 0.00 -1.45 0.00 0.00 41.25 38.18 2fe0 s ASN 66 CO 0.17 -0.30 1.68 -0.08 -3.72 0.00 0.00 177.10 174.85 2fe0 h GLU 67 N 1.75 0.30 -4.63 0.43 4.81 -1.68 -2.95 114.58 112.61 2fe0 h GLU 67 Ca -0.47 -0.02 -0.71 0.00 -0.13 0.00 0.00 59.36 58.03 2fe0 h GLU 67 Cb 1.18 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 2fe0 h GLU 67 CO 0.65 0.20 2.62 -0.25 -0.73 0.00 0.00 179.01 181.49 2fe0 n ASP 68 N -5.13 4.43 -3.55 1.04 8.00 -1.26 -4.82 116.55 115.26 2fe0 n ASP 68 Ca 0.20 -2.90 -0.07 0.00 0.71 0.00 0.00 54.79 52.73 2fe0 n ASP 68 Cb 0.62 -1.67 -0.08 0.00 -0.02 0.00 0.00 41.12 39.97 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 6.19 0.22 0.00 2.15 -1.22 -4.91 116.67 121.75 2fe0 s ASP 70 Ca 0.03 -2.04 0.09 0.00 0.43 0.00 0.00 52.55 51.05 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 -1.85 -0.16 0.27 -0.17 0.00 0.00 175.17 173.12 2fe0 s ILE 71 N 6.60 1.91 0.13 4.11 -4.36 -1.25 0.12 121.20 128.47 2fe0 s ILE 71 Ca 0.58 -2.26 -0.04 0.00 -0.26 0.00 0.00 60.65 58.67 2fe0 s ILE 71 Cb 0.02 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.60 2fe0 s ILE 71 CO 0.08 -0.55 0.14 -0.75 0.24 0.00 0.00 174.94 174.09 2fe0 s LYS 72 N -3.61 0.98 -0.01 0.37 2.20 -0.46 -4.97 119.74 114.24 2fe0 s LYS 72 Ca 0.24 -1.30 -0.13 0.00 -0.36 0.00 0.00 55.97 54.42 2fe0 s LYS 72 Cb -0.02 0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.54 2fe0 s LYS 72 CO 0.09 -0.31 0.36 0.00 -0.36 0.00 0.00 175.35 175.13 2fe0 s ALA 73 N -4.00 3.74 0.00 3.13 0.00 -1.26 -2.03 121.76 121.34 2fe0 s ALA 73 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2fe0 s ALA 73 Cb 0.06 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2fe0 s ALA 73 CO -0.00 0.52 0.00 1.28 0.00 0.00 0.00 175.76 177.55 2fe0 n LEU 74 N 1.75 0.00 0.00 0.00 4.77 -0.56 -4.91 117.00 118.04 2fe0 n LEU 74 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 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 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2fe0 n GLY 75 N 4.25 -2.81 0.00 -0.72 0.00 -1.19 -4.57 105.19 100.15 2fe0 n GLY 75 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 0.12 -1.54 1.61 2.85 -1.26 -4.75 118.16 115.19 2fe0 n LYS 76 Ca 0.00 0.02 -0.56 0.00 -1.05 0.00 0.00 58.31 56.72 2fe0 n LYS 76 Cb 0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 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 -1.02 0.20 -2.60 0.58 -1.04 -1.26 -4.86 114.28 104.29 2fe0 n THR 77 Ca 0.03 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 2fe0 n THR 77 Cb 0.01 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 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 4.88 4.25 -0.13 -2.82 2.47 -1.18 -4.62 119.74 122.59 2fe0 s LYS 78 Ca 1.06 1.43 -0.00 0.00 -1.56 0.00 0.00 55.97 56.90 2fe0 s LYS 78 Cb -1.09 -3.68 -0.01 0.00 -1.46 0.00 0.00 37.83 31.59 2fe0 s LYS 78 CO 0.61 -0.66 -0.13 -1.17 0.16 0.00 0.00 175.35 174.15 2fe0 s LEU 79 N 3.30 2.69 0.05 5.43 2.96 -1.26 -3.35 118.68 128.49 2fe0 s LEU 79 Ca 0.47 -0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 53.86 2fe0 s LEU 79 Cb -0.17 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 44.96 2fe0 s LEU 79 CO 0.09 0.17 0.42 -1.83 -1.32 0.00 0.00 176.35 173.87 2fe0 s GLU 80 N 0.35 0.93 0.09 1.98 -1.05 -1.03 -5.00 118.70 114.96 2fe0 s GLU 80 Ca -0.11 -0.37 0.04 0.00 -0.15 0.00 0.00 54.97 54.38 2fe0 s GLU 80 Cb -0.16 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2fe0 s GLU 80 CO 0.06 -0.32 0.04 -1.14 0.95 0.00 0.00 175.26 174.85 2fe0 s GLN 81 N -2.51 2.71 0.58 -4.83 0.74 -1.26 -1.23 119.66 113.86 2fe0 s GLN 81 Ca -0.05 -0.77 0.09 0.00 0.05 0.00 0.00 55.36 54.68 2fe0 s GLN 81 Cb -0.01 -2.63 0.09 0.00 1.10 0.00 0.00 33.01 31.56 2fe0 s GLN 81 CO -0.03 0.55 0.76 -0.65 -0.55 0.00 0.00 175.29 175.37 2fe0 s GLN 82 N -2.37 2.27 0.08 1.67 -1.52 -0.26 -4.96 119.66 114.58 2fe0 s GLN 82 Ca 0.28 -1.71 -0.15 0.00 -1.95 0.00 0.00 55.36 51.83 2fe0 s GLN 82 Cb -0.12 -2.57 -0.16 0.00 -0.22 0.00 0.00 33.01 29.94 2fe0 s GLN 82 CO 0.20 -0.86 1.29 0.93 -0.25 0.00 0.00 175.29 176.60 2fe0 h GLU 83 N 0.22 0.70 -0.10 2.91 4.39 -2.00 -3.05 114.58 117.65 2fe0 h GLU 83 Ca -0.30 -0.55 0.03 0.00 0.34 0.00 0.00 59.36 58.88 2fe0 h GLU 83 Cb 1.29 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2fe0 h GLU 83 CO 0.43 1.17 0.11 -2.95 -1.16 0.00 0.00 179.01 176.60 2fe0 h ASN 84 N 0.39 0.00 0.00 1.42 -1.07 -2.06 -3.45 115.58 110.82 2fe0 h ASN 84 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.33 2fe0 h ASN 84 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2fe0 h ASN 84 CO 0.13 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.24 2fe0 n GLY 85 N -1.38 0.70 3.04 9.14 0.00 -1.15 -5.02 105.19 110.52 2fe0 n GLY 85 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.41 0.46 -0.15 1.61 8.01 -1.26 -1.73 118.70 125.24 2fe0 s GLU 86 Ca 0.00 -0.73 -0.06 0.00 0.01 0.00 0.00 54.97 54.19 2fe0 s GLU 86 Cb 0.00 -0.14 -0.04 0.00 -4.31 0.00 0.00 34.13 29.64 2fe0 s GLU 86 CO 0.00 0.01 0.07 -1.58 0.01 0.00 0.00 175.26 173.77 2fe0 s TRP 87 N -1.50 3.31 -0.03 1.61 0.52 -0.41 -1.10 118.94 121.33 2fe0 s TRP 87 Ca -0.11 0.20 0.07 0.00 0.02 0.00 0.00 56.10 56.28 2fe0 s TRP 87 Cb -0.09 -1.99 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2fe0 s TRP 87 CO -0.00 0.35 -0.24 0.08 0.02 0.00 0.00 176.95 177.16 2fe0 s VAL 88 N -0.19 2.23 -0.23 4.03 1.01 -0.37 -0.74 120.40 126.14 2fe0 s VAL 88 Ca 0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 2fe0 s VAL 88 Cb -0.12 -1.79 0.09 0.00 0.00 0.00 0.00 36.38 34.56 2fe0 s VAL 88 CO 0.01 0.58 0.19 0.00 0.00 0.00 0.00 175.10 175.88 2fe0 s ALA 89 N -0.54 0.03 0.06 5.51 0.00 -1.13 -2.48 121.76 123.22 2fe0 s ALA 89 Ca 0.08 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.89 2fe0 s ALA 89 Cb -0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2fe0 s ALA 89 CO 0.00 -1.37 -0.25 -1.54 0.00 0.00 0.00 175.76 172.60 2fe0 s SER 90 N 2.24 3.34 -0.14 0.00 1.04 -1.21 -3.27 113.70 115.70 2fe0 s SER 90 Ca 0.07 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 2fe0 s SER 90 Cb -0.16 -0.34 0.08 0.00 0.10 0.00 0.00 66.02 65.70 2fe0 s SER 90 CO -0.20 0.24 0.76 0.54 0.98 0.00 0.00 173.24 175.56 2fe0 s VAL 91 N -0.89 0.00 -0.13 5.02 0.11 -1.08 -3.07 120.40 120.36 2fe0 s VAL 91 Ca 0.13 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.14 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 0.04 0.00 0.03 -0.69 -3.33 0.00 0.00 175.10 171.15 2fe0 s VAL 92 N -0.67 4.52 -0.09 2.04 1.01 -1.26 -2.05 120.40 123.91 2fe0 s VAL 92 Ca -0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2fe0 s VAL 92 Cb -0.02 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2fe0 s VAL 92 CO 0.05 0.55 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 2fe0 s VAL 93 N -0.37 2.44 0.24 2.92 1.01 -0.67 -4.97 120.40 121.00 2fe0 s VAL 93 Ca 0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2fe0 s VAL 93 Cb -0.12 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 2fe0 s VAL 93 CO 0.02 0.56 0.61 -0.31 0.00 0.00 0.00 175.10 175.97 2fe0 s TYR 94 N 0.04 3.44 0.00 5.22 2.02 -1.26 -2.83 117.35 123.98 2fe0 s TYR 94 Ca -0.08 1.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.63 2fe0 s TYR 94 Cb -0.15 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.05 2fe0 s TYR 94 CO 0.05 0.24 0.83 -2.30 -1.57 0.00 0.00 175.55 172.80 2fe0 n PRO 95 N -0.05 0.00 -0.90 -1.71 -0.02 -1.26 -1.10 135.00 129.97 2fe0 n PRO 95 Ca 0.00 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2fe0 n PRO 95 Cb 0.52 -1.33 -0.12 0.00 -0.02 0.00 0.00 33.50 32.55 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fe0 s GLU 97 N 0.64 0.93 -0.04 0.00 -6.30 -0.25 -5.08 118.70 108.59 2fe0 s GLU 97 Ca 0.50 0.41 0.02 0.00 -2.50 0.00 0.00 54.97 53.41 2fe0 s GLU 97 Cb 0.25 0.44 0.01 0.00 0.00 0.00 0.00 34.13 34.82 2fe0 s GLU 97 CO -0.01 -0.24 -0.10 0.99 0.02 0.00 0.00 175.26 175.92 2fe0 s THR 98 N -0.74 0.90 0.16 -1.70 2.01 -1.26 -4.03 115.64 110.97 2fe0 s THR 98 Ca -0.08 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.59 2fe0 s THR 98 Cb -0.02 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 2fe0 s THR 98 CO 0.07 0.29 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.53 2fe0 s GLU 99 N 0.38 1.16 0.29 4.92 2.02 -1.24 -5.05 118.70 121.18 2fe0 s GLU 99 Ca -0.07 -1.39 -0.21 0.00 0.02 0.00 0.00 54.97 53.32 2fe0 s GLU 99 Cb -0.11 -1.02 -0.09 0.00 0.10 0.00 0.00 34.13 33.00 2fe0 s GLU 99 CO 0.01 0.19 0.81 -1.64 0.02 0.00 0.00 175.26 174.65 2fe0 s MET 100 N -3.08 4.31 0.00 1.61 -1.94 -1.26 -3.37 119.30 115.57 2fe0 s MET 100 Ca 0.15 1.00 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 2fe0 s MET 100 Cb -0.03 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 34.09 2fe0 s MET 100 CO 0.04 0.28 0.00 0.34 -0.01 0.00 0.00 175.02 175.68 2fe0 n PHE 101 N 0.38 0.00 -4.34 -0.03 7.35 0.46 -3.18 117.46 118.11 2fe0 n PHE 101 Ca 0.01 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.52 2fe0 n PHE 101 Cb 0.51 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.24 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 1.42 1.51 0.34 -2.13 -5.25 -1.22 -1.50 121.20 114.36 2fe0 s ILE 102 Ca 0.00 -2.14 0.05 0.00 -0.99 0.00 0.00 60.65 57.57 2fe0 s ILE 102 Cb 0.00 -2.11 -0.02 0.00 2.95 0.00 0.00 42.46 43.28 2fe0 s ILE 102 CO 0.00 -0.55 0.19 -1.84 -1.79 0.00 0.00 174.94 170.95 2fe0 n GLU 103 N -0.38 0.50 0.00 0.37 -0.00 -0.86 0.15 120.64 120.42 2fe0 n GLU 103 Ca -0.08 -3.07 0.00 0.00 -0.00 0.00 0.00 57.16 54.01 2fe0 n GLU 103 Cb 0.61 2.04 0.00 0.00 -0.00 0.00 0.00 31.44 34.09 2fe0 n GLU 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2fe0 n GLY 104 N -0.54 -1.77 3.87 -1.84 0.00 -1.04 -1.36 105.19 102.50 2fe0 n GLY 104 Ca 0.00 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 3.72 -0.03 1.61 3.52 0.34 -4.83 118.95 123.28 2fe0 s ARG 105 Ca 0.00 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2fe0 s ARG 105 Cb 0.00 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 2fe0 s ARG 105 CO 0.00 0.63 -0.13 0.08 -0.81 0.00 0.00 175.30 175.07 2fe0 s VAL 106 N -1.27 1.07 -0.05 7.11 1.01 -1.26 -3.42 120.40 123.59 2fe0 s VAL 106 Ca 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2fe0 s VAL 106 Cb -0.14 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.34 2fe0 s VAL 106 CO 0.15 0.32 0.02 0.54 0.00 0.00 0.00 175.10 176.13 2fe0 s ASN 107 N 0.04 1.13 -0.04 3.32 2.20 -1.26 -4.99 114.94 115.34 2fe0 s ASN 107 Ca -0.02 -0.01 -0.01 0.00 -0.94 0.00 0.00 52.86 51.88 2fe0 s ASN 107 Cb -0.09 -0.27 0.01 0.00 -2.00 0.00 0.00 41.25 38.89 2fe0 s ASN 107 CO 0.01 -0.19 0.03 0.61 -2.94 0.00 0.00 177.10 174.62 2fe0 n GLY 108 N 4.96 -0.93 3.15 0.45 0.00 -1.26 -4.57 105.19 106.99 2fe0 n GLY 108 Ca -0.10 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.53 0.93 -0.20 1.61 -0.71 -1.26 -4.32 117.98 113.51 2fe0 s PHE 109 Ca -0.03 -0.72 -0.06 0.00 -1.04 0.00 0.00 56.93 55.07 2fe0 s PHE 109 Cb 0.00 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2fe0 s PHE 109 CO 0.15 -0.06 0.04 0.21 -1.34 0.00 0.00 175.22 174.22 2fe0 s LYS 110 N -2.95 3.78 -0.10 1.99 2.20 -0.14 -4.97 119.74 119.55 2fe0 s LYS 110 Ca 0.05 -0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2fe0 s LYS 110 Cb -0.01 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2fe0 s LYS 110 CO -0.02 0.10 -0.09 -1.12 -0.36 0.00 0.00 175.35 173.87 2fe0 s SER 111 N 0.82 4.43 -0.04 1.43 0.01 -1.26 0.26 113.70 119.34 2fe0 s SER 111 Ca 0.02 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 2fe0 s SER 111 Cb -0.14 -1.40 0.03 0.00 0.21 0.00 0.00 66.02 64.73 2fe0 s SER 111 CO 0.02 0.26 0.07 -0.75 0.41 0.00 0.00 173.24 173.25 2fe0 s LYS 112 N -0.19 -0.05 0.25 12.44 2.20 0.13 -4.99 119.74 129.52 2fe0 s LYS 112 Ca 0.02 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.06 2fe0 s LYS 112 Cb -0.13 -0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.70 2fe0 s LYS 112 CO 0.03 -0.30 -0.04 -1.64 -0.36 0.00 0.00 175.35 173.04 2fe0 s MET 113 N 2.00 1.42 0.26 4.03 -1.94 -1.26 -0.96 119.30 122.85 2fe0 s MET 113 Ca 0.02 -1.71 -0.17 0.00 -1.71 0.00 0.00 55.69 52.11 2fe0 s MET 113 Cb -0.12 -0.88 0.01 0.00 2.01 0.00 0.00 34.83 35.85 2fe0 s MET 113 CO -0.03 -0.02 0.60 0.34 -0.01 0.00 0.00 175.02 175.90 2fe0 s ASP 114 N -3.36 -0.20 -0.36 3.03 -1.08 -1.09 -5.03 116.67 108.58 2fe0 s ASP 114 Ca 0.28 -0.72 0.01 0.00 -0.52 0.00 0.00 52.55 51.61 2fe0 s ASP 114 Cb 0.04 0.65 0.11 0.00 -1.46 0.00 0.00 42.92 42.27 2fe0 s ASP 114 CO 0.10 -1.23 0.12 0.00 0.52 0.00 0.00 175.17 174.68 2fe0 s ALA 115 N -3.95 2.17 0.14 3.66 0.00 -1.26 -2.38 121.76 120.14 2fe0 s ALA 115 Ca 0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 51.96 49.89 2fe0 s ALA 115 Cb -0.03 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2fe0 s ALA 115 CO 0.07 -1.77 0.32 -0.51 0.00 0.00 0.00 175.76 173.87 2fe0 s LEU 116 N 1.04 4.29 0.80 0.00 1.43 -1.04 -4.82 118.68 120.39 2fe0 s LEU 116 Ca 0.12 0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 2fe0 s LEU 116 Cb -0.20 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 2fe0 s LEU 116 CO -0.14 0.06 0.58 -2.65 0.23 0.00 0.00 176.35 174.43 2fe0 n PRO 117 N -0.15 0.13 -2.81 1.29 -0.02 -1.26 0.11 135.00 132.29 2fe0 n PRO 117 Ca -0.04 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.10 2fe0 n PRO 117 Cb 0.52 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 2fe0 n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fe0 s LEU 118 N -1.13 4.00 1.00 2.45 1.43 -1.09 -4.36 118.68 120.98 2fe0 s LEU 118 Ca 0.64 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 2fe0 s LEU 118 Cb -0.30 -3.27 0.19 0.00 0.03 0.00 0.00 46.19 42.84 2fe0 s LEU 118 CO 0.60 -0.84 1.08 -0.44 0.23 0.00 0.00 176.35 176.98 2fe0 s SER 119 N 1.85 2.58 0.57 2.29 0.01 -1.26 -4.84 113.70 114.90 2fe0 s SER 119 Ca 0.38 1.32 0.27 0.00 1.31 0.00 0.00 55.95 59.23 2fe0 s SER 119 Cb -0.12 -2.00 1.56 0.00 0.21 0.00 0.00 66.02 65.67 2fe0 s SER 119 CO 0.18 -3.18 2.07 1.05 0.41 0.00 0.00 173.24 173.78 2fe0 h GLU 120 N -1.92 0.00 -0.64 12.44 4.11 -2.01 0.24 114.58 126.79 2fe0 h GLU 120 Ca -0.54 0.00 0.04 0.00 0.07 0.00 0.00 59.36 58.93 2fe0 h GLU 120 Cb 1.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2fe0 h GLU 120 CO 0.56 0.00 0.42 0.93 0.07 0.00 0.00 179.01 180.99 2fe0 h GLU 121 N 0.00 0.72 -0.59 1.06 5.08 -2.01 -1.64 114.58 117.20 2fe0 h GLU 121 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2fe0 h GLU 121 Cb 0.59 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2fe0 h GLU 121 CO -0.00 0.48 0.27 -0.92 -1.00 0.00 0.00 179.01 177.83 2fe0 h TYR 122 N 0.74 0.88 -0.90 4.33 3.20 -1.27 -1.33 116.97 122.62 2fe0 h TYR 122 Ca 0.26 -0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.16 2fe0 h TYR 122 Cb 0.11 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.04 2fe0 h TYR 122 CO -0.00 0.68 0.55 0.00 -1.64 0.00 0.00 178.16 177.75 2fe0 h ARG 123 N 0.81 0.91 -0.34 1.82 2.47 -1.37 -0.84 114.38 117.85 2fe0 h ARG 123 Ca 0.20 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.73 2fe0 h ARG 123 Cb 0.15 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 2fe0 h ARG 123 CO -0.02 0.60 -0.32 0.37 0.56 0.00 0.00 179.97 181.16 2fe0 h GLN 124 N 0.94 0.75 -0.46 0.04 4.15 -1.22 -2.83 115.11 116.48 2fe0 h GLN 124 Ca 0.42 -0.35 0.06 0.00 0.77 0.00 0.00 58.65 59.55 2fe0 h GLN 124 Cb 0.30 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2fe0 h GLN 124 CO -0.22 0.96 0.31 1.25 -1.93 0.00 0.00 178.83 179.21 2fe0 h HIS 125 N 0.63 0.36 -0.72 3.99 2.76 -0.03 -0.65 115.15 121.49 2fe0 h HIS 125 Ca 0.07 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2fe0 h HIS 125 Cb 0.85 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 2fe0 h HIS 125 CO 0.04 0.19 0.48 1.96 -1.30 0.00 0.00 177.93 179.30 2fe0 h GLN 126 N 0.36 0.85 -0.33 5.26 4.20 -1.12 -0.98 115.11 123.35 2fe0 h GLN 126 Ca 0.20 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2fe0 h GLN 126 Cb 0.34 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2fe0 h GLN 126 CO -0.05 0.56 -0.05 0.00 -0.67 0.00 0.00 178.83 178.63 2fe0 h ALA 127 N 1.58 1.31 -0.28 3.87 0.00 -1.20 -2.30 119.26 122.24 2fe0 h ALA 127 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2fe0 h ALA 127 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2fe0 h ALA 127 CO -0.08 0.46 -0.04 0.93 0.00 0.00 0.00 179.25 180.52 2fe0 h GLU 128 N 0.50 0.43 -0.59 0.00 5.08 -1.13 -2.24 114.58 116.62 2fe0 h GLU 128 Ca 0.10 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2fe0 h GLU 128 Cb 0.40 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2fe0 h GLU 128 CO 0.02 0.49 0.39 0.87 -1.00 0.00 0.00 179.01 179.78 2fe0 h LYS 129 N 0.41 0.67 -0.76 2.33 1.57 -1.18 -1.34 116.57 118.27 2fe0 h LYS 129 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2fe0 h LYS 129 Cb 0.34 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2fe0 h LYS 129 CO 0.01 0.44 0.49 0.22 -0.57 0.00 0.00 179.45 180.05 2fe0 h ASP 130 N 0.69 0.88 -0.01 0.86 3.58 -1.43 -3.52 116.42 117.47 2fe0 h ASP 130 Ca 0.23 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2fe0 h ASP 130 Cb 0.08 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.90 2fe0 h ASP 130 CO -0.06 0.65 0.00 0.29 -2.88 0.00 0.00 179.24 177.24