#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 0.43 0.36 3.03 0.00 -1.26 -4.93 105.19 102.82 2fe0 n GLY 2 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.53 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n GLY 4 N -1.47 0.59 7.00 0.00 0.00 -1.26 -4.84 105.19 105.21 2fe0 n GLY 4 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.65 0.00 -0.68 4.61 0.00 -1.26 -4.91 120.51 115.61 2fe0 n ALA 5 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2fe0 n ALA 5 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2fe0 n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fe0 n SER 6 N -0.19 -3.96 -4.75 0.00 7.64 -1.26 -4.66 113.62 106.45 2fe0 n SER 6 Ca 0.00 0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.78 2fe0 n SER 6 Cb 0.00 -2.33 0.04 0.00 -1.01 0.00 0.00 64.21 60.91 2fe0 n SER 6 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2fe0 s SER 7 N -3.90 5.16 0.30 6.43 0.01 -1.26 -4.91 113.70 115.53 2fe0 s SER 7 Ca 0.00 2.68 0.03 0.00 1.31 0.00 0.00 55.95 59.97 2fe0 s SER 7 Cb 0.00 -2.63 0.47 0.00 0.21 0.00 0.00 66.02 64.08 2fe0 s SER 7 CO 0.00 -1.64 1.78 -0.33 0.41 0.00 0.00 173.24 173.46 2fe0 h GLU 8 N 1.24 0.52 -7.17 12.44 5.08 -1.97 -3.43 114.58 121.28 2fe0 h GLU 8 Ca -0.51 -0.16 -0.50 0.00 -1.00 0.00 0.00 59.36 57.20 2fe0 h GLU 8 Cb 1.31 -0.05 0.05 0.00 0.50 0.00 0.00 28.75 30.56 2fe0 h GLU 8 CO 0.56 0.65 0.26 0.54 -1.00 0.00 0.00 179.01 180.03 2fe0 s ASN 9 N -6.77 6.05 0.12 1.42 6.03 -1.26 -5.10 114.94 115.44 2fe0 s ASN 9 Ca -0.07 1.08 -0.13 0.00 -1.03 0.00 0.00 52.86 52.71 2fe0 s ASN 9 Cb 0.14 -2.20 0.02 0.00 -3.03 0.00 0.00 41.25 36.18 2fe0 s ASN 9 CO 0.78 -0.84 0.33 -0.94 -2.03 0.00 0.00 177.10 174.40 2fe0 s SER 10 N -4.19 -0.09 0.00 3.54 1.04 -1.26 -5.14 113.70 107.60 2fe0 s SER 10 Ca 0.52 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2fe0 s SER 10 Cb -0.11 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2fe0 s SER 10 CO 0.49 -0.84 0.00 -1.54 0.98 0.00 0.00 173.24 172.33 2fe0 n SER 11 N -0.18 4.05 -3.83 7.02 3.41 -1.26 -5.17 113.62 117.65 2fe0 n SER 11 Ca -0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.34 2fe0 n SER 11 Cb 0.63 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2fe0 s VAL 12 N -0.08 -0.02 -0.02 -3.33 1.01 -1.26 -4.98 120.40 111.72 2fe0 s VAL 12 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2fe0 s VAL 12 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.29 2fe0 s VAL 12 CO 0.00 0.03 -0.09 -0.89 0.00 0.00 0.00 175.10 174.15 2fe0 s THR 13 N 0.37 0.70 0.36 3.92 2.01 -1.26 -5.15 115.64 116.59 2fe0 s THR 13 Ca -0.03 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.69 2fe0 s THR 13 Cb -0.04 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.79 2fe0 s THR 13 CO -0.01 0.21 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.79 2fe0 s TYR 14 N -0.01 2.32 0.11 4.92 2.02 -1.26 -4.90 117.35 120.55 2fe0 s TYR 14 Ca 0.00 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2fe0 s TYR 14 Cb -0.06 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 2fe0 s TYR 14 CO -0.00 0.41 0.00 1.55 -1.57 0.00 0.00 175.55 175.94 2fe0 n VAL 15 N -0.81 0.00 1.95 0.71 3.14 -1.26 -4.84 118.33 117.22 2fe0 n VAL 15 Ca -0.05 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.46 2fe0 n VAL 15 Cb 0.65 -0.48 0.71 0.00 -1.06 0.00 0.00 33.84 33.66 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2fe0 n ASN 16 N -2.85 0.12 0.00 6.55 3.02 -1.26 -4.97 115.26 115.88 2fe0 n ASN 16 Ca 0.00 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2fe0 n ASN 16 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2fe0 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 17 N 0.90 2.99 3.82 7.41 0.00 -1.26 -5.02 105.19 114.03 2fe0 n GLY 17 Ca 0.18 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.09 3.82 0.47 1.61 1.81 -1.26 -4.84 118.95 118.47 2fe0 s ARG 18 Ca 0.00 0.02 -0.21 0.00 -1.72 0.00 0.00 55.73 53.82 2fe0 s ARG 18 Cb 0.00 -3.28 -0.12 0.00 -0.45 0.00 0.00 34.95 31.11 2fe0 s ARG 18 CO 0.00 0.58 0.48 -2.30 -0.68 0.00 0.00 175.30 173.38 2fe0 n PRO 19 N 2.50 0.51 0.00 3.54 -0.02 -1.26 -4.85 135.00 135.41 2fe0 n PRO 19 Ca -0.16 0.19 0.14 0.00 -2.02 0.00 0.00 63.50 61.65 2fe0 n PRO 19 Cb 0.53 -1.53 0.75 0.00 -0.02 0.00 0.00 33.50 33.24 2fe0 n PRO 19 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fe0 n THR 20 N -1.18 0.04 -4.74 3.45 -2.24 -1.26 -4.73 114.28 103.61 2fe0 n THR 20 Ca 0.11 0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 2fe0 n THR 20 Cb 0.43 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.54 1.53 -0.06 4.78 5.36 -1.26 -5.12 117.98 120.68 2fe0 s PHE 21 Ca 0.29 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 2fe0 s PHE 21 Cb 0.20 -1.03 0.02 0.00 -0.34 0.00 0.00 43.02 41.86 2fe0 s PHE 21 CO 0.44 -0.13 -0.08 0.08 -1.46 0.00 0.00 175.22 174.07 2fe0 s VAL 22 N 0.01 0.79 0.00 3.12 1.01 -1.26 -5.03 120.40 119.04 2fe0 s VAL 22 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2fe0 s VAL 22 Cb -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2fe0 s VAL 22 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2fe0 n GLY 23 N 4.03 0.93 1.76 4.51 0.00 -1.26 -4.88 105.19 110.27 2fe0 n GLY 23 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2fe0 n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fe0 n GLU 24 N 0.00 0.00 -3.19 1.61 -0.58 0.52 -4.81 120.64 114.18 2fe0 n GLU 24 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 2fe0 n GLU 24 Cb 0.00 -0.13 -0.06 0.00 -0.57 0.00 0.00 31.44 30.69 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2fe0 s GLU 25 N -1.99 4.33 -0.07 3.49 2.56 -1.05 -4.95 118.70 121.01 2fe0 s GLU 25 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 54.97 55.62 2fe0 s GLU 25 Cb 0.00 -3.48 -0.00 0.00 2.00 0.00 0.00 34.13 32.65 2fe0 s GLU 25 CO 0.00 0.02 -0.23 0.08 -0.56 0.00 0.00 175.26 174.57 2fe0 s VAL 26 N 1.02 1.95 0.25 3.70 1.01 -1.26 -2.36 120.40 124.72 2fe0 s VAL 26 Ca 0.30 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2fe0 s VAL 26 Cb -0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2fe0 s VAL 26 CO 0.12 0.54 0.36 -0.89 0.00 0.00 0.00 175.10 175.24 2fe0 s THR 27 N 0.09 0.00 -0.23 3.92 2.01 -0.86 -4.93 115.64 115.65 2fe0 s THR 27 Ca -0.10 -1.64 0.02 0.00 0.31 0.00 0.00 61.69 60.27 2fe0 s THR 27 Cb -0.15 -2.38 0.04 0.00 0.01 0.00 0.00 72.50 70.02 2fe0 s THR 27 CO 0.06 0.00 -0.15 -1.59 -0.69 0.00 0.00 174.62 172.25 2fe0 s LYS 28 N -3.88 2.54 0.00 4.92 0.00 -1.26 0.31 119.74 122.37 2fe0 s LYS 28 Ca 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 55.97 55.15 2fe0 s LYS 28 Cb 0.02 -2.74 0.00 0.00 0.00 0.00 0.00 37.83 35.11 2fe0 s LYS 28 CO 0.12 -0.42 0.86 0.41 0.00 0.00 0.00 175.35 176.33 2fe0 n GLY 29 N 4.52 -3.10 0.00 0.59 0.00 -1.13 -4.61 105.19 101.45 2fe0 n GLY 29 Ca -0.17 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2fe0 n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2fe0 n PHE 30 N -2.22 -0.25 -1.94 1.61 3.72 -1.26 -5.02 117.46 112.10 2fe0 n PHE 30 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2fe0 n PHE 30 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2fe0 n PHE 30 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2fe0 n GLU 31 N 0.00 0.00 -3.74 -1.08 -0.00 -1.26 -5.07 120.64 109.49 2fe0 n GLU 31 Ca 0.00 -0.18 -0.23 0.00 -0.00 0.00 0.00 57.16 56.76 2fe0 n GLU 31 Cb 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 31.44 31.30 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2fe0 s LYS 32 N 0.00 2.41 0.17 3.44 1.02 -1.26 -5.01 119.74 120.51 2fe0 s LYS 32 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.30 2fe0 s LYS 32 Cb 0.00 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2fe0 s LYS 32 CO 0.00 -0.25 0.00 -0.25 -0.92 0.00 0.00 175.35 173.93 2fe0 n ASP 33 N -1.52 -0.28 0.07 2.83 8.00 -1.26 -2.42 116.55 121.97 2fe0 n ASP 33 Ca 0.02 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.65 2fe0 n ASP 33 Cb 0.63 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 42.35 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 0.00 0.11 0.00 -2.24 -1.24 -1.96 -3.44 115.58 106.81 2fe0 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2fe0 h ASN 34 Cb 0.00 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2fe0 h ASN 34 CO 0.00 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.82 2fe0 n GLY 35 N -1.57 0.40 5.01 1.57 0.00 -1.02 -4.87 105.19 104.71 2fe0 n GLY 35 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.53 0.99 4.77 -1.26 -4.52 117.00 112.45 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 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2fe0 n LEU 36 CO 0.00 0.00 -0.32 -0.22 -1.33 0.00 0.00 177.39 175.52 2fe0 s LEU 37 N 0.00 3.40 -0.07 2.23 2.96 -1.26 -1.54 118.68 124.40 2fe0 s LEU 37 Ca 0.00 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2fe0 s LEU 37 Cb 0.00 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2fe0 s LEU 37 CO 0.00 0.16 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.79 2fe0 s PHE 38 N 0.46 3.03 -0.54 5.38 0.08 -1.24 -2.84 117.98 122.31 2fe0 s PHE 38 Ca -0.01 0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.92 2fe0 s PHE 38 Cb -0.14 -1.74 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 2fe0 s PHE 38 CO 0.02 0.39 0.72 0.50 -0.10 0.00 0.00 175.22 176.76 2fe0 s ARG 39 N -0.88 3.16 -0.21 0.44 6.06 0.93 -3.95 118.95 124.50 2fe0 s ARG 39 Ca 0.13 -0.80 -0.11 0.00 -2.50 0.00 0.00 55.73 52.44 2fe0 s ARG 39 Cb -0.11 -4.12 -0.05 0.00 0.06 0.00 0.00 34.95 30.73 2fe0 s ARG 39 CO 0.02 -1.36 0.19 0.42 -2.50 0.00 0.00 175.30 172.08 2fe0 s ILE 40 N 3.02 5.36 -0.04 4.11 1.01 -1.05 -2.02 121.20 131.58 2fe0 s ILE 40 Ca 0.18 0.30 0.01 0.00 0.00 0.00 0.00 60.65 61.14 2fe0 s ILE 40 Cb -0.18 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2fe0 s ILE 40 CO 0.13 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.73 2fe0 s VAL 41 N 0.70 0.42 -0.43 2.92 1.01 -1.00 -1.70 120.40 122.33 2fe0 s VAL 41 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2fe0 s VAL 41 Cb -0.13 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 35.87 2fe0 s VAL 41 CO 0.02 0.21 0.28 0.21 0.00 0.00 0.00 175.10 175.81 2fe0 s ASN 42 N 1.06 5.61 0.51 3.32 3.04 -1.19 0.20 114.94 127.49 2fe0 s ASN 42 Ca -0.09 -1.67 0.26 0.00 0.04 0.00 0.00 52.86 51.40 2fe0 s ASN 42 Cb -0.14 -1.98 1.37 0.00 -1.54 0.00 0.00 41.25 38.97 2fe0 s ASN 42 CO -0.01 -0.58 1.93 0.11 -3.04 0.00 0.00 177.10 175.51 2fe0 h LYS 43 N 8.38 0.07 0.00 0.43 1.57 -1.91 2.73 116.57 127.84 2fe0 h LYS 43 Ca -0.21 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2fe0 h LYS 43 Cb 1.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2fe0 h LYS 43 CO 0.78 0.05 0.00 1.17 -0.57 0.00 0.00 179.45 180.88 2fe0 n LYS 44 N -4.36 0.00 0.00 3.15 0.00 -1.26 -3.10 118.16 112.59 2fe0 n LYS 44 Ca 0.15 0.75 0.12 0.00 0.00 0.00 0.00 58.31 59.33 2fe0 n LYS 44 Cb 0.75 -1.48 0.14 0.00 0.00 0.00 0.00 35.03 34.43 2fe0 n LYS 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2fe0 n LYS 45 N -2.47 1.50 -3.20 1.64 5.02 -1.05 -4.96 118.16 114.64 2fe0 n LYS 45 Ca 0.00 -1.17 -0.23 0.00 -2.02 0.00 0.00 58.31 54.89 2fe0 n LYS 45 Cb 0.00 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.27 -4.92 -3.53 1.97 4.76 0.91 -4.23 118.16 113.40 2fe0 n LYS 46 Ca 0.12 0.79 -0.37 0.00 -2.87 0.00 0.00 58.31 55.98 2fe0 n LYS 46 Cb 0.47 -5.64 -0.08 0.00 -1.84 0.00 0.00 35.03 27.94 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 -5.88 4.15 0.14 1.97 -2.07 -1.18 -2.47 119.66 114.32 2fe0 s GLN 47 Ca 0.37 -0.01 -0.22 0.00 -1.82 0.00 0.00 55.36 53.68 2fe0 s GLN 47 Cb -0.17 -3.51 -0.07 0.00 -1.09 0.00 0.00 33.01 28.16 2fe0 s GLN 47 CO 0.46 0.06 0.68 -1.58 -1.32 0.00 0.00 175.29 173.60 2fe0 s TRP 48 N 1.02 3.83 0.02 9.60 0.52 0.36 -3.15 118.94 131.15 2fe0 s TRP 48 Ca 0.14 1.45 -0.01 0.00 0.02 0.00 0.00 56.10 57.70 2fe0 s TRP 48 Cb -0.14 -2.63 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 2fe0 s TRP 48 CO 0.05 0.52 -0.01 0.00 0.02 0.00 0.00 176.95 177.54 2fe0 s ALA 49 N -1.18 0.06 -0.02 0.98 0.00 -0.69 -0.01 121.76 120.90 2fe0 s ALA 49 Ca 0.34 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2fe0 s ALA 49 Cb -0.21 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2fe0 s ALA 49 CO 0.23 -0.16 -0.22 0.71 0.00 0.00 0.00 175.76 176.31 2fe0 s TYR 50 N -1.41 1.99 -0.12 0.00 2.02 -1.14 -2.54 117.35 116.15 2fe0 s TYR 50 Ca -0.15 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2fe0 s TYR 50 Cb -0.09 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2fe0 s TYR 50 CO -0.01 -0.03 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.38 2fe0 s TYR 51 N -0.52 1.61 -0.34 2.71 5.04 -1.25 -3.34 117.35 121.25 2fe0 s TYR 51 Ca 0.09 -0.83 -0.26 0.00 -2.44 0.00 0.00 57.07 53.62 2fe0 s TYR 51 Cb -0.09 -1.30 0.01 0.00 0.35 0.00 0.00 41.96 40.94 2fe0 s TYR 51 CO -0.01 -0.54 0.95 1.21 -1.34 0.00 0.00 175.55 175.81 2fe0 s ASN 52 N 1.66 6.75 0.05 4.32 3.84 -1.26 -3.64 114.94 126.67 2fe0 s ASN 52 Ca 0.05 0.73 -0.13 0.00 0.21 0.00 0.00 52.86 53.72 2fe0 s ASN 52 Cb -0.13 -2.48 -0.30 0.00 -0.55 0.00 0.00 41.25 37.80 2fe0 s ASN 52 CO -0.09 -0.82 1.09 -0.78 -2.79 0.00 0.00 177.10 173.71 2fe0 h ASP 53 N 8.30 0.80 -3.60 -4.21 3.58 -1.65 -3.33 116.42 116.31 2fe0 h ASP 53 Ca -0.23 -0.78 -0.48 0.00 0.42 0.00 0.00 57.03 55.97 2fe0 h ASP 53 Cb 1.08 -0.25 0.21 0.00 1.72 0.00 0.00 39.33 42.08 2fe0 h ASP 53 CO 0.98 1.59 0.01 0.35 -2.88 0.00 0.00 179.24 179.29 2fe0 n THR 54 N -3.73 0.00 -0.27 2.25 -2.24 -1.26 -4.51 114.28 104.52 2fe0 n THR 54 Ca -0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2fe0 n THR 54 Cb 1.02 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -4.63 0.43 -1.03 4.28 -2.24 -1.26 -4.43 114.28 105.40 2fe0 n THR 55 Ca 0.07 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2fe0 n THR 55 Cb 0.53 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.21 0.00 -4.75 -0.78 10.64 -1.26 -4.96 117.38 116.05 2fe0 n GLN 56 Ca 0.00 -0.18 -0.27 0.00 -1.83 0.00 0.00 57.00 54.72 2fe0 n GLN 56 Cb 0.21 -0.48 -0.17 0.00 -0.86 0.00 0.00 30.24 28.94 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2fe0 s TYR 57 N 0.00 1.83 -0.10 2.61 2.02 -1.26 -3.46 117.35 118.98 2fe0 s TYR 57 Ca 0.00 -0.72 -0.17 0.00 -0.37 0.00 0.00 57.07 55.81 2fe0 s TYR 57 Cb 0.00 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 2fe0 s TYR 57 CO 0.00 -0.34 0.43 -1.83 -1.57 0.00 0.00 175.55 172.24 2fe0 s GLU 58 N 0.61 4.25 -0.26 -0.62 -1.05 0.12 -4.66 118.70 117.10 2fe0 s GLU 58 Ca -0.15 0.38 -0.18 0.00 -0.15 0.00 0.00 54.97 54.87 2fe0 s GLU 58 Cb -0.16 -3.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 2fe0 s GLU 58 CO 0.05 0.27 0.51 -1.64 0.95 0.00 0.00 175.26 175.40 2fe0 s MET 59 N 0.29 4.06 -0.40 -4.83 -1.94 -1.16 -2.51 119.30 112.82 2fe0 s MET 59 Ca 0.24 0.31 -0.13 0.00 -1.71 0.00 0.00 55.69 54.40 2fe0 s MET 59 Cb -0.15 -3.65 0.02 0.00 2.01 0.00 0.00 34.83 33.06 2fe0 s MET 59 CO 0.10 -0.35 0.26 -1.01 -0.01 0.00 0.00 175.02 174.00 2fe0 s HIS 60 N 2.31 3.24 -0.02 -0.03 3.76 -1.23 -1.67 115.29 121.65 2fe0 s HIS 60 Ca 0.21 -0.77 -0.22 0.00 -0.15 0.00 0.00 55.06 54.14 2fe0 s HIS 60 Cb -0.16 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 2fe0 s HIS 60 CO 0.09 -0.62 0.63 0.08 -0.85 0.00 0.00 174.74 174.07 2fe0 s VAL 61 N 1.62 4.94 -0.35 -0.90 1.01 -0.72 -3.46 120.40 122.55 2fe0 s VAL 61 Ca 0.04 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.34 2fe0 s VAL 61 Cb -0.19 -3.97 0.14 0.00 0.00 0.00 0.00 36.38 32.36 2fe0 s VAL 61 CO 0.08 0.36 0.27 -0.22 0.00 0.00 0.00 175.10 175.59 2fe0 s LEU 62 N 0.13 0.48 -0.08 3.92 2.96 -0.29 -2.40 118.68 123.40 2fe0 s LEU 62 Ca 0.33 -1.79 0.02 0.00 -0.22 0.00 0.00 54.13 52.47 2fe0 s LEU 62 Cb -0.18 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.49 2fe0 s LEU 62 CO 0.18 -0.31 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.08 2fe0 s VAL 63 N 1.38 3.19 -0.09 1.68 1.01 -1.20 -1.31 120.40 125.06 2fe0 s VAL 63 Ca 0.16 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2fe0 s VAL 63 Cb -0.19 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2fe0 s VAL 63 CO -0.06 0.57 -0.15 -0.89 0.00 0.00 0.00 175.10 174.57 2fe0 s THR 64 N -0.43 2.94 0.28 3.92 2.01 -0.43 -2.79 115.64 121.14 2fe0 s THR 64 Ca 0.05 -0.73 0.11 0.00 0.31 0.00 0.00 61.69 61.43 2fe0 s THR 64 Cb -0.12 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 2fe0 s THR 64 CO 0.02 0.55 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.01 2fe0 s PHE 65 N -0.08 2.43 0.61 4.92 0.40 -0.20 -0.89 117.98 125.16 2fe0 s PHE 65 Ca -0.03 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 2fe0 s PHE 65 Cb -0.14 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 2fe0 s PHE 65 CO 0.04 0.68 1.03 1.21 0.70 0.00 0.00 175.22 178.87 2fe0 s ASN 66 N -3.57 6.08 0.18 1.36 2.47 -1.26 -1.08 114.94 119.12 2fe0 s ASN 66 Ca 0.31 1.55 -0.18 0.00 0.42 0.00 0.00 52.86 54.96 2fe0 s ASN 66 Cb -0.05 -2.49 0.12 0.00 -1.45 0.00 0.00 41.25 37.38 2fe0 s ASN 66 CO 0.17 -0.96 1.64 -0.08 -3.72 0.00 0.00 177.10 174.14 2fe0 h GLU 67 N -0.01 -0.09 -5.21 0.43 4.81 -1.71 -3.15 114.58 109.65 2fe0 h GLU 67 Ca -0.45 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.20 2fe0 h GLU 67 Cb 1.20 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2fe0 h GLU 67 CO 0.60 -0.06 2.09 -3.47 -0.73 0.00 0.00 179.01 177.45 2fe0 n ASP 68 N -5.38 3.90 -3.45 1.04 2.03 -1.26 -4.80 116.55 108.63 2fe0 n ASP 68 Ca 0.03 -2.81 -0.06 0.00 0.52 0.00 0.00 54.79 52.47 2fe0 n ASP 68 Cb 0.29 -1.64 -0.07 0.00 -0.72 0.00 0.00 41.12 38.98 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 s ASP 70 N 2.66 6.10 0.20 0.00 2.15 -1.22 -4.91 116.67 121.65 2fe0 s ASP 70 Ca 0.07 -2.02 0.09 0.00 0.43 0.00 0.00 52.55 51.12 2fe0 s ASP 70 Cb -0.14 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2fe0 s ASP 70 CO -0.16 -1.94 -0.17 0.27 -0.17 0.00 0.00 175.17 172.99 2fe0 s ILE 71 N 6.96 1.91 0.07 4.11 -4.36 -1.25 0.17 121.20 128.81 2fe0 s ILE 71 Ca 0.59 -2.12 -0.03 0.00 -0.26 0.00 0.00 60.65 58.83 2fe0 s ILE 71 Cb 0.02 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 2fe0 s ILE 71 CO 0.08 -0.44 0.04 -0.75 0.24 0.00 0.00 174.94 174.12 2fe0 s LYS 72 N -3.25 0.73 0.07 0.37 2.20 -0.31 -4.97 119.74 114.58 2fe0 s LYS 72 Ca 0.21 -1.20 -0.16 0.00 -0.36 0.00 0.00 55.97 54.46 2fe0 s LYS 72 Cb -0.04 0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 2fe0 s LYS 72 CO 0.08 -0.18 0.51 0.00 -0.36 0.00 0.00 175.35 175.40 2fe0 s ALA 73 N -3.93 3.63 0.00 3.13 0.00 -1.26 -1.77 121.76 121.56 2fe0 s ALA 73 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2fe0 s ALA 73 Cb 0.07 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.67 2fe0 s ALA 73 CO -0.08 0.44 0.00 1.28 0.00 0.00 0.00 175.76 177.40 2fe0 n LEU 74 N 1.52 0.00 0.00 0.00 4.77 -0.59 -4.91 117.00 117.80 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 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 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 3.99 -2.66 0.00 -0.72 0.00 -1.25 -4.63 105.19 99.91 2fe0 n GLY 75 Ca 0.00 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 0.47 -1.60 1.61 2.85 -1.26 -4.80 118.16 115.44 2fe0 n LYS 76 Ca 0.00 0.00 -0.56 0.00 -1.05 0.00 0.00 58.31 56.70 2fe0 n LYS 76 Cb 0.00 -1.44 -0.07 0.00 -0.65 0.00 0.00 35.03 32.86 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 -0.94 0.26 -2.46 0.58 -1.04 -1.26 -4.86 114.28 104.56 2fe0 n THR 77 Ca 0.10 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 2fe0 n THR 77 Cb 0.05 -1.31 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 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 4.54 4.27 -0.12 -2.82 2.47 -1.20 -4.66 119.74 122.22 2fe0 s LYS 78 Ca 1.03 1.63 0.02 0.00 -1.56 0.00 0.00 55.97 57.09 2fe0 s LYS 78 Cb -1.03 -3.69 -0.01 0.00 -1.46 0.00 0.00 37.83 31.63 2fe0 s LYS 78 CO 0.61 -0.62 -0.18 -1.17 0.16 0.00 0.00 175.35 174.15 2fe0 s LEU 79 N 3.11 2.45 0.00 5.43 2.96 -1.26 -3.41 118.68 127.96 2fe0 s LEU 79 Ca 0.54 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.82 2fe0 s LEU 79 Cb -0.22 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 44.98 2fe0 s LEU 79 CO 0.16 0.16 0.42 -1.83 -1.32 0.00 0.00 176.35 173.94 2fe0 s GLU 80 N 0.38 0.84 0.11 1.98 -1.05 -1.03 -5.00 118.70 114.94 2fe0 s GLU 80 Ca -0.14 -0.18 0.05 0.00 -0.15 0.00 0.00 54.97 54.56 2fe0 s GLU 80 Cb -0.17 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2fe0 s GLU 80 CO 0.07 -0.26 0.02 -1.14 0.95 0.00 0.00 175.26 174.89 2fe0 s GLN 81 N -1.76 2.58 0.38 -4.83 0.74 -1.26 -1.25 119.66 114.25 2fe0 s GLN 81 Ca -0.10 -0.88 0.08 0.00 0.05 0.00 0.00 55.36 54.50 2fe0 s GLN 81 Cb -0.02 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.54 2fe0 s GLN 81 CO 0.03 0.52 0.35 -0.65 -0.55 0.00 0.00 175.29 174.99 2fe0 s GLN 82 N -2.52 2.63 0.28 1.67 -1.52 -0.61 -4.95 119.66 114.63 2fe0 s GLN 82 Ca 0.27 -1.42 -0.02 0.00 -1.95 0.00 0.00 55.36 52.23 2fe0 s GLN 82 Cb -0.11 -2.44 0.39 0.00 -0.22 0.00 0.00 33.01 30.63 2fe0 s GLN 82 CO 0.19 -0.08 1.86 0.93 -0.25 0.00 0.00 175.29 177.94 2fe0 h GLU 83 N 1.09 0.94 -0.02 2.91 5.08 -2.00 -1.48 114.58 121.09 2fe0 h GLU 83 Ca -0.43 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2fe0 h GLU 83 Cb 1.26 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2fe0 h GLU 83 CO 0.57 0.76 0.03 -2.95 -1.00 0.00 0.00 179.01 176.42 2fe0 h ASN 84 N 0.93 0.00 -0.11 1.42 -0.00 -2.05 -3.45 115.58 112.31 2fe0 h ASN 84 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.52 2fe0 h ASN 84 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 2fe0 h ASN 84 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.02 2fe0 n GLY 85 N -1.32 0.67 2.96 9.14 0.00 -0.56 -5.00 105.19 111.07 2fe0 n GLY 85 Ca -0.02 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.39 0.39 -0.19 1.61 0.41 -1.25 -1.77 118.70 117.51 2fe0 s GLU 86 Ca 0.00 -0.20 -0.12 0.00 -0.41 0.00 0.00 54.97 54.24 2fe0 s GLU 86 Cb 0.00 -0.36 -0.05 0.00 -1.78 0.00 0.00 34.13 31.94 2fe0 s GLU 86 CO 0.00 0.10 0.22 -1.58 -0.49 0.00 0.00 175.26 173.51 2fe0 s TRP 87 N -0.18 3.42 -0.08 1.61 0.52 -0.24 -1.57 118.94 122.42 2fe0 s TRP 87 Ca 0.01 0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.61 2fe0 s TRP 87 Cb -0.02 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 2fe0 s TRP 87 CO -0.00 0.23 -0.15 0.08 0.02 0.00 0.00 176.95 177.12 2fe0 s VAL 88 N 0.52 2.90 -0.25 4.03 1.01 -0.38 -1.03 120.40 127.20 2fe0 s VAL 88 Ca 0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2fe0 s VAL 88 Cb -0.12 -2.16 0.09 0.00 0.00 0.00 0.00 36.38 34.19 2fe0 s VAL 88 CO 0.02 0.56 0.16 0.00 0.00 0.00 0.00 175.10 175.83 2fe0 s ALA 89 N -0.20 0.30 0.03 5.51 0.00 -1.12 -2.46 121.76 123.82 2fe0 s ALA 89 Ca -0.00 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.43 2fe0 s ALA 89 Cb -0.13 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2fe0 s ALA 89 CO 0.03 -1.49 -0.23 -1.54 0.00 0.00 0.00 175.76 172.53 2fe0 s SER 90 N 2.18 3.39 -0.24 0.00 1.04 -1.22 -3.25 113.70 115.60 2fe0 s SER 90 Ca 0.07 -0.51 -0.26 0.00 0.48 0.00 0.00 55.95 55.73 2fe0 s SER 90 Cb -0.16 -0.42 0.08 0.00 0.10 0.00 0.00 66.02 65.62 2fe0 s SER 90 CO -0.27 0.27 0.78 0.54 0.98 0.00 0.00 173.24 175.54 2fe0 s VAL 91 N -0.82 0.00 -0.18 5.02 0.11 -1.01 -3.27 120.40 120.25 2fe0 s VAL 91 Ca 0.12 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.03 0.00 0.11 -0.69 -3.33 0.00 0.00 175.10 171.21 2fe0 s VAL 92 N 0.09 5.21 -0.13 2.04 1.01 -1.26 -1.75 120.40 125.60 2fe0 s VAL 92 Ca -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2fe0 s VAL 92 Cb -0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2fe0 s VAL 92 CO 0.01 0.48 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 2fe0 s VAL 93 N 0.07 4.09 0.23 2.92 1.01 -0.67 -5.01 120.40 123.04 2fe0 s VAL 93 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2fe0 s VAL 93 Cb -0.12 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 2fe0 s VAL 93 CO -0.00 0.53 0.50 -0.31 0.00 0.00 0.00 175.10 175.82 2fe0 s TYR 94 N -0.07 3.46 0.59 5.22 2.02 -1.26 -2.99 117.35 124.31 2fe0 s TYR 94 Ca 0.03 0.69 -0.20 0.00 -0.37 0.00 0.00 57.07 57.22 2fe0 s TYR 94 Cb -0.13 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 2fe0 s TYR 94 CO 0.02 0.28 1.30 -1.25 -1.57 0.00 0.00 175.55 174.33 2fe0 s PRO 95 N -3.07 2.90 -1.55 -1.71 0.04 -1.26 -2.56 135.00 127.80 2fe0 s PRO 95 Ca 0.44 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2fe0 s PRO 95 Cb -0.11 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2fe0 s PRO 95 CO 0.25 -1.33 0.00 0.00 0.04 0.00 0.00 177.00 175.97 2fe0 s GLU 97 N -3.71 0.29 -0.19 0.00 2.02 -1.06 -5.12 118.70 110.92 2fe0 s GLU 97 Ca 0.00 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 2fe0 s GLU 97 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.29 2fe0 s GLU 97 CO 0.00 -0.08 -0.13 0.99 0.02 0.00 0.00 175.26 176.06 2fe0 s THR 98 N 0.56 2.70 0.29 3.63 2.01 -1.26 -4.17 115.64 119.40 2fe0 s THR 98 Ca -0.03 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.34 2fe0 s THR 98 Cb -0.05 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2fe0 s THR 98 CO -0.03 0.49 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.74 2fe0 s GLU 99 N 1.28 2.12 0.42 4.92 2.02 -1.21 -5.00 118.70 123.25 2fe0 s GLU 99 Ca 0.03 -1.57 -0.12 0.00 0.02 0.00 0.00 54.97 53.34 2fe0 s GLU 99 Cb -0.14 -2.03 -0.07 0.00 0.10 0.00 0.00 34.13 32.00 2fe0 s GLU 99 CO -0.07 0.29 0.81 -1.64 0.02 0.00 0.00 175.26 174.67 2fe0 s MET 100 N -3.66 3.81 0.00 1.61 -1.94 -1.26 -2.88 119.30 114.99 2fe0 s MET 100 Ca 0.32 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.86 2fe0 s MET 100 Cb -0.05 -2.35 0.00 0.00 2.01 0.00 0.00 34.83 34.45 2fe0 s MET 100 CO 0.19 -0.07 0.00 0.34 -0.01 0.00 0.00 175.02 175.47 2fe0 n PHE 101 N -1.33 0.00 -4.29 -0.03 7.35 0.99 -3.88 117.46 116.28 2fe0 n PHE 101 Ca 0.03 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.56 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 1.20 1.41 0.36 -2.13 -5.25 -1.22 -1.54 121.20 114.03 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 -1.89 -0.02 0.00 2.95 0.00 0.00 42.46 43.50 2fe0 s ILE 102 CO 0.00 -0.65 0.16 -1.84 -1.79 0.00 0.00 174.94 170.82 2fe0 n GLU 103 N -0.18 0.56 0.00 0.37 -0.00 -0.73 0.14 120.64 120.80 2fe0 n GLU 103 Ca -0.10 -3.11 0.00 0.00 -0.00 0.00 0.00 57.16 53.95 2fe0 n GLU 103 Cb 0.60 1.86 0.00 0.00 -0.00 0.00 0.00 31.44 33.90 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 -0.53 -1.82 3.85 -1.84 0.00 -1.03 -1.16 105.19 102.66 2fe0 n GLY 104 Ca -0.03 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 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 3.80 -0.03 1.61 3.52 0.45 -4.83 118.95 123.47 2fe0 s ARG 105 Ca 0.00 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 2fe0 s ARG 105 Cb 0.00 -3.12 -0.00 0.00 -1.56 0.00 0.00 34.95 30.27 2fe0 s ARG 105 CO 0.00 0.64 -0.14 0.08 -0.81 0.00 0.00 175.30 175.07 2fe0 s VAL 106 N -1.22 1.17 -0.04 7.11 1.01 -1.26 -3.37 120.40 123.80 2fe0 s VAL 106 Ca 0.27 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2fe0 s VAL 106 Cb -0.15 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2fe0 s VAL 106 CO 0.15 0.34 0.05 0.54 0.00 0.00 0.00 175.10 176.18 2fe0 s ASN 107 N -0.02 1.01 -0.05 3.32 2.20 -1.26 -5.01 114.94 115.13 2fe0 s ASN 107 Ca -0.01 0.06 -0.03 0.00 -0.94 0.00 0.00 52.86 51.94 2fe0 s ASN 107 Cb -0.09 -0.16 0.01 0.00 -2.00 0.00 0.00 41.25 39.01 2fe0 s ASN 107 CO 0.01 -0.22 0.06 0.61 -2.94 0.00 0.00 177.10 174.61 2fe0 n GLY 108 N 5.10 -1.36 3.25 0.45 0.00 -1.26 -4.53 105.19 106.84 2fe0 n GLY 108 Ca -0.07 0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.31 1.24 -0.24 1.61 -0.71 -1.26 -4.22 117.98 114.09 2fe0 s PHE 109 Ca -0.07 -0.87 -0.07 0.00 -1.04 0.00 0.00 56.93 54.88 2fe0 s PHE 109 Cb 0.00 -0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 41.11 2fe0 s PHE 109 CO 0.21 -0.04 0.07 0.21 -1.34 0.00 0.00 175.22 174.33 2fe0 s LYS 110 N -3.82 3.73 -0.29 1.99 2.20 -0.07 -4.97 119.74 118.51 2fe0 s LYS 110 Ca 0.19 -0.45 -0.11 0.00 -0.36 0.00 0.00 55.97 55.25 2fe0 s LYS 110 Cb 0.04 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2fe0 s LYS 110 CO 0.02 -0.10 0.19 -1.54 -0.36 0.00 0.00 175.35 173.56 2fe0 s SER 111 N 1.37 5.93 -0.15 1.43 1.04 -1.26 -1.32 113.70 120.75 2fe0 s SER 111 Ca 0.05 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 2fe0 s SER 111 Cb -0.15 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 63.91 2fe0 s SER 111 CO 0.04 -0.10 -0.05 -0.75 0.98 0.00 0.00 173.24 173.35 2fe0 s LYS 112 N 1.73 1.40 0.28 4.02 2.47 -0.43 -5.02 119.74 124.19 2fe0 s LYS 112 Ca 0.07 -0.41 0.02 0.00 -1.56 0.00 0.00 55.97 54.09 2fe0 s LYS 112 Cb -0.16 -1.85 -0.05 0.00 -1.46 0.00 0.00 37.83 34.31 2fe0 s LYS 112 CO 0.10 -0.39 0.09 -1.64 0.16 0.00 0.00 175.35 173.67 2fe0 s MET 113 N 1.68 1.51 0.31 4.03 -1.94 -1.26 -1.14 119.30 122.49 2fe0 s MET 113 Ca 0.02 -1.83 -0.17 0.00 -1.71 0.00 0.00 55.69 52.01 2fe0 s MET 113 Cb -0.14 -0.46 0.02 0.00 2.01 0.00 0.00 34.83 36.26 2fe0 s MET 113 CO -0.08 -0.27 0.68 0.34 -0.01 0.00 0.00 175.02 175.68 2fe0 s ASP 114 N -3.38 -0.06 -0.49 3.03 -1.08 -1.22 -5.04 116.67 108.44 2fe0 s ASP 114 Ca 0.37 -0.90 0.03 0.00 -0.52 0.00 0.00 52.55 51.53 2fe0 s ASP 114 Cb 0.08 0.74 0.14 0.00 -1.46 0.00 0.00 42.92 42.42 2fe0 s ASP 114 CO 0.14 -1.41 0.28 0.00 0.52 0.00 0.00 175.17 174.70 2fe0 s ALA 115 N -3.38 2.55 0.23 3.66 0.00 -1.26 -3.55 121.76 120.01 2fe0 s ALA 115 Ca 0.16 -2.88 -0.01 0.00 0.00 0.00 0.00 51.96 49.23 2fe0 s ALA 115 Cb -0.04 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2fe0 s ALA 115 CO 0.10 -2.05 0.44 -0.51 0.00 0.00 0.00 175.76 173.73 2fe0 s LEU 116 N -0.01 4.17 0.28 0.00 1.43 -1.04 -4.91 118.68 118.60 2fe0 s LEU 116 Ca 0.19 0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.47 2fe0 s LEU 116 Cb -0.21 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 2fe0 s LEU 116 CO -0.03 -0.10 1.02 -2.16 0.23 0.00 0.00 176.35 175.31 2fe0 s PRO 117 N -3.46 4.66 -0.73 1.29 0.04 -1.26 0.15 135.00 135.69 2fe0 s PRO 117 Ca 0.40 1.60 -0.36 0.00 0.04 0.00 0.00 61.00 62.68 2fe0 s PRO 117 Cb -0.11 -3.10 -0.19 0.00 0.04 0.00 0.00 34.50 31.14 2fe0 s PRO 117 CO 0.30 0.29 2.43 1.28 0.04 0.00 0.00 177.00 181.33 2fe0 n LEU 118 N 1.08 0.73 -4.59 -3.56 4.77 -1.22 -4.69 117.00 109.51 2fe0 n LEU 118 Ca -0.00 0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 56.04 2fe0 n LEU 118 Cb 0.47 -0.98 0.22 0.00 -2.33 0.00 0.00 43.42 40.80 2fe0 n LEU 118 CO 0.50 -0.79 0.58 -0.44 -1.33 0.00 0.00 177.39 175.92 2fe0 s SER 119 N 7.90 1.67 0.54 -1.43 0.01 -1.26 -4.78 113.70 116.36 2fe0 s SER 119 Ca 1.26 1.21 0.28 0.00 1.31 0.00 0.00 55.95 60.01 2fe0 s SER 119 Cb -1.26 -1.89 1.44 0.00 0.21 0.00 0.00 66.02 64.52 2fe0 s SER 119 CO 0.54 -3.73 1.95 1.05 0.41 0.00 0.00 173.24 173.47 2fe0 h GLU 120 N -2.30 0.00 -0.53 12.44 4.11 -2.02 0.26 114.58 126.53 2fe0 h GLU 120 Ca -0.57 0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.88 2fe0 h GLU 120 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 2fe0 h GLU 120 CO 0.53 0.00 0.35 0.93 0.07 0.00 0.00 179.01 180.89 2fe0 h GLU 121 N 0.00 0.65 -1.00 1.06 5.08 -1.99 -1.56 114.58 116.83 2fe0 h GLU 121 Ca 0.31 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2fe0 h GLU 121 Cb 1.27 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 2fe0 h GLU 121 CO -0.00 0.43 0.66 -0.92 -1.00 0.00 0.00 179.01 178.18 2fe0 h TYR 122 N 0.67 1.23 -0.94 4.33 3.20 -0.79 -0.94 116.97 123.74 2fe0 h TYR 122 Ca 0.20 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.12 2fe0 h TYR 122 Cb -0.01 -0.41 -0.05 0.00 1.54 0.00 0.00 36.73 37.80 2fe0 h TYR 122 CO -0.00 0.72 0.62 0.00 -1.64 0.00 0.00 178.16 177.86 2fe0 h ARG 123 N 1.28 1.20 -0.31 1.82 3.08 -1.35 -1.90 114.38 118.21 2fe0 h ARG 123 Ca 0.39 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 2fe0 h ARG 123 Cb -0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 2fe0 h ARG 123 CO -0.12 0.80 -0.32 0.37 -1.07 0.00 0.00 179.97 179.63 2fe0 h GLN 124 N 1.24 0.66 -0.15 0.04 4.15 -1.23 -2.61 115.11 117.22 2fe0 h GLN 124 Ca 0.36 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 59.52 2fe0 h GLN 124 Cb -0.09 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2fe0 h GLN 124 CO -0.09 0.90 0.17 1.25 -1.93 0.00 0.00 178.83 179.12 2fe0 h HIS 125 N 0.56 0.00 0.00 3.99 2.76 -0.39 0.28 115.15 122.36 2fe0 h HIS 125 Ca 0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2fe0 h HIS 125 Cb 0.82 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 2fe0 h HIS 125 CO 0.04 0.00 -0.04 1.96 -1.30 0.00 0.00 177.93 178.58 2fe0 h GLN 126 N 0.00 0.00 0.00 5.26 4.20 -1.23 -2.91 115.11 120.43 2fe0 h GLN 126 Ca 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2fe0 h GLN 126 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2fe0 h GLN 126 CO -0.00 0.04 -0.72 0.00 -0.67 0.00 0.00 178.83 177.49 2fe0 n ALA 127 N -2.12 0.57 -0.32 3.87 0.00 0.94 -3.00 120.51 120.45 2fe0 n ALA 127 Ca 0.00 -0.51 0.20 0.00 0.00 0.00 0.00 53.44 53.13 2fe0 n ALA 127 Cb 0.30 -0.03 0.41 0.00 0.00 0.00 0.00 19.45 20.12 2fe0 n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2fe0 h GLU 128 N -1.00 0.29 -0.04 0.00 4.11 -1.53 2.09 114.58 118.50 2fe0 h GLU 128 Ca -0.05 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.15 2fe0 h GLU 128 Cb 0.69 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2fe0 h GLU 128 CO -0.03 0.19 -0.78 1.57 0.07 0.00 0.00 179.01 180.02 2fe0 h LYS 129 N 0.29 0.60 -0.16 1.06 2.10 -1.71 -3.30 116.57 115.46 2fe0 h LYS 129 Ca 0.67 -0.59 -0.05 0.00 -2.00 0.00 0.00 60.65 58.67 2fe0 h LYS 129 Cb 1.47 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.95 2fe0 h LYS 129 CO -0.62 1.21 -0.11 0.22 -2.00 0.00 0.00 179.45 178.15 2fe0 h ASP 130 N 0.22 0.38 0.00 7.07 3.58 -0.23 -3.52 116.42 123.93 2fe0 h ASP 130 Ca -0.09 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2fe0 h ASP 130 Cb 1.45 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.40 2fe0 h ASP 130 CO 0.16 0.74 0.00 1.17 -2.88 0.00 0.00 179.24 178.42