#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 0.56 3.57 -5.12 0.00 -1.26 -5.01 105.19 97.92 2fe0 n GLY 2 Ca 0.00 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 4.83 -0.19 0.08 0.00 0.00 -1.26 -4.91 105.19 103.74 2fe0 n GLY 4 Ca 0.05 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.00 1.25 -2.04 4.61 0.00 -1.26 -4.92 120.51 115.15 2fe0 n ALA 5 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 2fe0 n ALA 5 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.89 -2.23 -1.02 0.00 7.64 -1.26 -4.91 113.62 109.95 2fe0 n SER 6 Ca 0.00 0.83 0.11 0.00 1.01 0.00 0.00 58.87 60.83 2fe0 n SER 6 Cb 0.08 -3.42 -0.04 0.00 -1.01 0.00 0.00 64.21 59.82 2fe0 n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2fe0 n SER 7 N 0.99 -5.22 -2.75 6.43 2.88 -1.26 -4.89 113.62 109.79 2fe0 n SER 7 Ca -0.19 0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 2fe0 n SER 7 Cb 0.29 -3.28 0.06 0.00 -0.75 0.00 0.00 64.21 60.53 2fe0 n SER 7 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2fe0 n GLU 8 N -3.22 0.84 -0.29 -1.46 2.13 -1.26 -4.99 120.64 112.38 2fe0 n GLU 8 Ca -0.02 -1.79 0.02 0.00 0.66 0.00 0.00 57.16 56.04 2fe0 n GLU 8 Cb 0.61 -1.37 0.23 0.00 0.27 0.00 0.00 31.44 31.18 2fe0 n GLU 8 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2fe0 h ASN 9 N 3.77 0.92 -5.00 4.31 -0.73 -2.01 -3.44 115.58 113.40 2fe0 h ASN 9 Ca -0.14 -0.01 -0.11 0.00 1.87 0.00 0.00 56.30 57.91 2fe0 h ASN 9 Cb 1.04 -0.21 -0.20 0.00 0.27 0.00 0.00 38.32 39.23 2fe0 h ASN 9 CO 0.29 0.62 -0.27 -0.55 -0.37 0.00 0.00 177.43 177.15 2fe0 s SER 10 N -6.13 -0.18 0.00 1.15 0.15 -1.26 -5.04 113.70 102.39 2fe0 s SER 10 Ca -0.11 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2fe0 s SER 10 Cb 0.19 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2fe0 s SER 10 CO 0.80 -0.47 0.78 -0.24 1.20 0.00 0.00 173.24 175.31 2fe0 n SER 11 N 1.19 0.00 -3.77 5.45 2.88 -1.26 -5.09 113.62 113.02 2fe0 n SER 11 Ca -0.21 -1.59 -0.13 0.00 -1.33 0.00 0.00 58.87 55.61 2fe0 n SER 11 Cb 0.56 -0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.02 0.03 2.46 1.01 -1.26 -5.08 120.40 117.54 2fe0 s VAL 12 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.11 2fe0 s VAL 12 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 2fe0 s VAL 12 CO 0.00 0.03 -0.17 -0.89 0.00 0.00 0.00 175.10 174.07 2fe0 s THR 13 N 0.61 1.37 0.29 3.92 2.01 -1.26 -5.15 115.64 117.43 2fe0 s THR 13 Ca -0.04 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.05 2fe0 s THR 13 Cb -0.06 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 2fe0 s THR 13 CO -0.03 0.17 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.73 2fe0 s TYR 14 N -0.72 2.59 0.05 4.92 2.02 -1.26 -4.97 117.35 119.98 2fe0 s TYR 14 Ca 0.05 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2fe0 s TYR 14 Cb -0.08 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 2fe0 s TYR 14 CO 0.01 0.58 0.00 1.55 -1.57 0.00 0.00 175.55 176.12 2fe0 n VAL 15 N -0.89 0.00 1.88 0.71 3.14 -1.26 -4.84 118.33 117.07 2fe0 n VAL 15 Ca -0.05 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.44 2fe0 n VAL 15 Cb 0.60 -0.45 0.63 0.00 -1.06 0.00 0.00 33.84 33.57 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 -2.66 0.29 0.00 6.55 3.02 -1.26 -4.97 115.26 116.24 2fe0 n ASN 16 Ca 0.00 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 2fe0 n ASN 16 Cb 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.91 3.36 3.82 7.41 0.00 -1.26 -4.93 105.19 114.49 2fe0 n GLY 17 Ca 0.17 -1.89 -0.38 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 -2.70 4.04 0.32 1.61 1.81 -1.26 -4.89 118.95 117.87 2fe0 s ARG 18 Ca 0.00 0.52 -0.25 0.00 -1.72 0.00 0.00 55.73 54.28 2fe0 s ARG 18 Cb 0.00 -3.24 -0.14 0.00 -0.45 0.00 0.00 34.95 31.11 2fe0 s ARG 18 CO 0.00 0.63 0.61 -2.30 -0.68 0.00 0.00 175.30 173.56 2fe0 n PRO 19 N 1.93 0.55 0.13 3.54 -0.02 -1.26 -4.88 135.00 134.99 2fe0 n PRO 19 Ca -0.12 0.20 -0.02 0.00 -2.02 0.00 0.00 63.50 61.53 2fe0 n PRO 19 Cb 0.52 -1.40 0.14 0.00 -0.02 0.00 0.00 33.50 32.73 2fe0 n PRO 19 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2fe0 h THR 20 N 1.11 1.48 -3.00 3.45 2.02 -1.95 -3.44 112.91 112.58 2fe0 h THR 20 Ca -0.36 -2.27 -0.61 0.00 0.77 0.00 0.00 66.41 63.94 2fe0 h THR 20 Cb 1.40 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 69.98 2fe0 h THR 20 CO 0.55 0.65 -0.24 0.12 0.37 0.00 0.00 175.52 176.97 2fe0 s PHE 21 N -3.51 3.68 0.27 3.16 5.36 -1.26 -5.07 117.98 120.61 2fe0 s PHE 21 Ca -0.01 0.90 0.08 0.00 -0.96 0.00 0.00 56.93 56.94 2fe0 s PHE 21 Cb 0.12 -2.22 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 2fe0 s PHE 21 CO 0.77 0.62 0.10 0.14 -1.46 0.00 0.00 175.22 175.40 2fe0 s VAL 22 N -1.15 3.85 0.00 3.12 -7.23 -1.26 -5.08 120.40 112.64 2fe0 s VAL 22 Ca 0.25 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2fe0 s VAL 22 Cb -0.16 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2fe0 s VAL 22 CO 0.14 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2fe0 n GLY 23 N -1.05 3.30 1.64 2.32 0.00 -1.26 -4.82 105.19 105.33 2fe0 n GLY 23 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.82 1.61 -0.58 -0.27 -4.93 120.64 113.65 2fe0 n GLU 24 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2fe0 n GLU 24 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 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 -0.89 4.46 -0.06 3.49 2.56 -1.08 -4.94 118.70 122.23 2fe0 s GLU 25 Ca 0.00 1.21 0.06 0.00 0.00 0.00 0.00 54.97 56.24 2fe0 s GLU 25 Cb 0.00 -3.49 -0.01 0.00 2.00 0.00 0.00 34.13 32.63 2fe0 s GLU 25 CO 0.00 -0.12 -0.25 0.08 -0.56 0.00 0.00 175.26 174.41 2fe0 s VAL 26 N 1.35 2.02 0.23 3.70 1.01 -1.26 -1.76 120.40 125.68 2fe0 s VAL 26 Ca 0.45 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2fe0 s VAL 26 Cb -0.19 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2fe0 s VAL 26 CO 0.21 0.56 0.14 -0.89 0.00 0.00 0.00 175.10 175.12 2fe0 s THR 27 N -0.12 0.10 -0.01 3.92 2.01 0.17 -4.94 115.64 116.76 2fe0 s THR 27 Ca -0.05 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.00 2fe0 s THR 27 Cb -0.14 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 2fe0 s THR 27 CO 0.04 0.00 -0.14 -1.59 -0.69 0.00 0.00 174.62 172.24 2fe0 s LYS 28 N -4.04 1.16 0.00 4.92 0.00 -1.26 0.28 119.74 120.80 2fe0 s LYS 28 Ca 0.39 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 55.85 2fe0 s LYS 28 Cb 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 37.83 36.78 2fe0 s LYS 28 CO 0.14 0.30 0.22 0.41 0.00 0.00 0.00 175.35 176.42 2fe0 n GLY 29 N 2.75 -0.72 3.68 0.59 0.00 -1.07 -4.77 105.19 105.64 2fe0 n GLY 29 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2fe0 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fe0 s PHE 30 N -1.25 3.44 0.24 1.61 0.08 -1.26 -4.93 117.98 115.92 2fe0 s PHE 30 Ca 0.00 1.34 0.19 0.00 0.12 0.00 0.00 56.93 58.58 2fe0 s PHE 30 Cb 0.00 -3.06 0.79 0.00 -0.57 0.00 0.00 43.02 40.18 2fe0 s PHE 30 CO 0.00 -0.24 1.79 0.93 -0.10 0.00 0.00 175.22 177.61 2fe0 h GLU 31 N 7.26 0.00 -7.16 0.44 4.39 -1.87 -3.35 114.58 114.29 2fe0 h GLU 31 Ca -0.30 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.86 2fe0 h GLU 31 Cb 1.13 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 29.96 2fe0 h GLU 31 CO 0.84 0.35 0.35 1.17 -1.16 0.00 0.00 179.01 180.56 2fe0 n LYS 32 N -3.65 0.39 0.00 2.33 4.81 -1.26 -4.45 118.16 116.33 2fe0 n LYS 32 Ca -0.01 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2fe0 n LYS 32 Cb 0.46 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.06 2fe0 n LYS 32 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2fe0 n ASP 33 N -2.89 0.00 -0.84 3.14 2.03 -1.26 -2.59 116.55 114.14 2fe0 n ASP 33 Ca 0.14 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.55 2fe0 n ASP 33 Cb 0.50 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.18 2fe0 n ASP 33 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2fe0 n ASN 34 N -0.54 2.50 0.00 1.67 2.85 -1.26 -4.87 115.26 115.61 2fe0 n ASN 34 Ca 0.00 -1.88 0.00 0.00 -0.11 0.00 0.00 54.58 52.59 2fe0 n ASN 34 Cb 0.00 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 40.80 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2fe0 n GLY 35 N 1.29 2.25 5.08 8.20 0.00 -1.07 -4.77 105.19 116.18 2fe0 n GLY 35 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.56 0.99 4.77 -1.26 -4.06 117.00 112.88 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 -0.30 -0.22 -1.33 0.00 0.00 177.39 175.54 2fe0 s LEU 37 N 0.00 3.53 -0.21 2.23 2.96 -1.26 -3.48 118.68 122.44 2fe0 s LEU 37 Ca 0.00 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2fe0 s LEU 37 Cb 0.00 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2fe0 s LEU 37 CO 0.00 0.16 0.03 -0.36 -1.32 0.00 0.00 176.35 174.85 2fe0 s PHE 38 N 0.46 3.07 -0.17 5.38 0.08 -1.23 -2.60 117.98 122.96 2fe0 s PHE 38 Ca -0.00 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.36 2fe0 s PHE 38 Cb -0.13 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.18 2fe0 s PHE 38 CO 0.02 -0.24 1.00 0.50 -0.10 0.00 0.00 175.22 176.40 2fe0 s ARG 39 N 1.12 4.33 -0.15 0.44 3.52 0.79 -3.56 118.95 125.45 2fe0 s ARG 39 Ca 0.03 1.33 -0.03 0.00 -0.13 0.00 0.00 55.73 56.93 2fe0 s ARG 39 Cb -0.14 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 2fe0 s ARG 39 CO 0.02 -0.46 -0.05 0.42 -0.81 0.00 0.00 175.30 174.43 2fe0 s ILE 40 N 2.56 3.82 -0.06 4.11 1.01 -0.10 -0.66 121.20 131.89 2fe0 s ILE 40 Ca 0.45 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2fe0 s ILE 40 Cb -0.17 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.66 2fe0 s ILE 40 CO 0.12 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.78 2fe0 s VAL 41 N 0.25 0.97 -0.48 2.92 1.01 -0.72 -0.72 120.40 123.63 2fe0 s VAL 41 Ca -0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 2fe0 s VAL 41 Cb -0.14 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.45 2fe0 s VAL 41 CO 0.03 0.32 0.37 0.21 0.00 0.00 0.00 175.10 176.03 2fe0 s ASN 42 N 0.75 5.81 0.59 3.32 3.84 -1.18 -1.11 114.94 126.96 2fe0 s ASN 42 Ca -0.13 -1.81 0.29 0.00 0.21 0.00 0.00 52.86 51.42 2fe0 s ASN 42 Cb -0.15 -2.06 1.49 0.00 -0.55 0.00 0.00 41.25 39.98 2fe0 s ASN 42 CO 0.02 -0.70 1.91 0.11 -2.79 0.00 0.00 177.10 175.65 2fe0 h LYS 43 N 8.55 0.00 0.26 0.43 1.57 -1.93 3.48 116.57 128.92 2fe0 h LYS 43 Ca -0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2fe0 h LYS 43 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2fe0 h LYS 43 CO 0.88 0.00 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.35 2fe0 h LYS 44 N 0.00 -0.42 -0.02 3.15 3.64 -1.99 -3.27 116.57 117.66 2fe0 h LYS 44 Ca 0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2fe0 h LYS 44 Cb 1.12 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2fe0 h LYS 44 CO -0.00 -0.28 -0.14 1.63 -2.27 0.00 0.00 179.45 178.39 2fe0 n LYS 45 N -3.49 1.78 -3.60 1.90 4.76 -0.93 -4.97 118.16 113.61 2fe0 n LYS 45 Ca -0.05 -1.49 -0.26 0.00 -2.87 0.00 0.00 58.31 53.63 2fe0 n LYS 45 Cb 0.19 -1.41 0.04 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.78 -5.69 -3.53 1.97 4.76 1.15 -4.25 118.16 113.36 2fe0 n LYS 46 Ca 0.11 0.69 -0.37 0.00 -2.87 0.00 0.00 58.31 55.87 2fe0 n LYS 46 Cb 0.50 -5.60 -0.09 0.00 -1.84 0.00 0.00 35.03 28.00 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 -6.30 4.11 0.27 1.97 -2.07 -1.20 -2.81 119.66 113.64 2fe0 s GLN 47 Ca 0.55 -0.05 -0.26 0.00 -1.82 0.00 0.00 55.36 53.77 2fe0 s GLN 47 Cb -0.26 -3.55 -0.09 0.00 -1.09 0.00 0.00 33.01 28.02 2fe0 s GLN 47 CO 0.67 -0.00 0.90 -1.58 -1.32 0.00 0.00 175.29 173.96 2fe0 s TRP 48 N 1.23 3.79 -0.01 9.60 0.52 0.15 -3.09 118.94 131.13 2fe0 s TRP 48 Ca 0.13 1.76 -0.04 0.00 0.02 0.00 0.00 56.10 57.98 2fe0 s TRP 48 Cb -0.14 -2.89 -0.00 0.00 -1.15 0.00 0.00 33.47 29.29 2fe0 s TRP 48 CO 0.06 0.33 0.07 0.00 0.02 0.00 0.00 176.95 177.43 2fe0 s ALA 49 N -1.43 -0.15 -0.06 0.98 0.00 0.11 -1.05 121.76 120.16 2fe0 s ALA 49 Ca 0.45 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.34 2fe0 s ALA 49 Cb -0.21 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2fe0 s ALA 49 CO 0.26 -0.13 -0.19 0.71 0.00 0.00 0.00 175.76 176.41 2fe0 s TYR 50 N -0.85 1.92 -0.13 0.00 2.02 -1.21 -0.92 117.35 118.18 2fe0 s TYR 50 Ca -0.09 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 56.03 2fe0 s TYR 50 Cb -0.06 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2fe0 s TYR 50 CO 0.00 -0.22 -0.22 -0.47 -1.57 0.00 0.00 175.55 173.07 2fe0 s TYR 51 N 0.11 2.64 -0.11 2.71 5.04 -1.23 -3.52 117.35 122.98 2fe0 s TYR 51 Ca -0.07 -1.29 -0.19 0.00 -2.44 0.00 0.00 57.07 53.08 2fe0 s TYR 51 Cb -0.13 -1.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.35 2fe0 s TYR 51 CO 0.03 -0.58 0.51 1.21 -1.34 0.00 0.00 175.55 175.38 2fe0 s ASN 52 N 0.75 6.73 -0.23 4.32 3.84 -1.26 -3.57 114.94 125.52 2fe0 s ASN 52 Ca -0.09 0.87 0.05 0.00 0.21 0.00 0.00 52.86 53.90 2fe0 s ASN 52 Cb -0.16 -2.30 -0.17 0.00 -0.55 0.00 0.00 41.25 38.06 2fe0 s ASN 52 CO -0.00 -0.02 -0.16 -0.90 -2.79 0.00 0.00 177.10 173.24 2fe0 n ASP 53 N 3.68 1.78 -4.65 -4.21 5.75 -1.23 -3.22 116.55 114.45 2fe0 n ASP 53 Ca -0.06 -0.10 -0.44 0.00 -0.01 0.00 0.00 54.79 54.17 2fe0 n ASP 53 Cb 0.52 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 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 -3.10 0.64 0.62 2.12 -2.24 -1.26 -4.68 114.28 106.38 2fe0 n THR 54 Ca -0.40 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.26 2fe0 n THR 54 Cb 0.98 -2.20 0.18 0.00 -2.10 0.00 0.00 70.33 67.19 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 5.80 0.68 0.00 4.28 -2.24 -1.26 -3.70 114.28 117.84 2fe0 n THR 55 Ca 0.23 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2fe0 n THR 55 Cb 0.37 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.62 3.50 -4.09 -0.78 0.00 -1.26 -5.04 117.38 110.32 2fe0 n GLN 56 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 56.99 2fe0 n GLN 56 Cb 0.40 -0.60 -0.14 0.00 0.00 0.00 0.00 30.24 29.91 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2fe0 s TYR 57 N -1.07 0.43 0.20 2.61 2.02 -1.24 -3.37 117.35 116.92 2fe0 s TYR 57 Ca 0.00 -0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 56.44 2fe0 s TYR 57 Cb 0.00 -0.27 -0.07 0.00 -0.40 0.00 0.00 41.96 41.22 2fe0 s TYR 57 CO 0.00 -0.03 0.50 -1.83 -1.57 0.00 0.00 175.55 172.63 2fe0 s GLU 58 N -0.44 3.78 -0.26 -0.62 1.03 0.84 -4.54 118.70 118.50 2fe0 s GLU 58 Ca -0.01 0.21 -0.13 0.00 0.03 0.00 0.00 54.97 55.07 2fe0 s GLU 58 Cb -0.04 -2.73 -0.04 0.00 -0.80 0.00 0.00 34.13 30.52 2fe0 s GLU 58 CO -0.00 0.37 0.28 -1.64 -1.33 0.00 0.00 175.26 172.94 2fe0 s MET 59 N -2.66 4.03 -0.22 -4.83 -1.94 -1.10 -2.17 119.30 110.41 2fe0 s MET 59 Ca 0.44 -0.11 -0.08 0.00 -1.71 0.00 0.00 55.69 54.23 2fe0 s MET 59 Cb -0.12 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 2fe0 s MET 59 CO 0.21 -0.14 0.10 -1.01 -0.01 0.00 0.00 175.02 174.17 2fe0 s HIS 60 N 1.65 3.23 -0.18 -0.03 3.76 -1.02 -1.28 115.29 121.42 2fe0 s HIS 60 Ca 0.12 0.02 -0.06 0.00 -0.15 0.00 0.00 55.06 54.98 2fe0 s HIS 60 Cb -0.15 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 2fe0 s HIS 60 CO 0.09 0.01 0.02 0.08 -0.85 0.00 0.00 174.74 174.09 2fe0 s VAL 61 N 0.87 4.33 -0.35 -0.90 1.01 -0.96 -3.11 120.40 121.30 2fe0 s VAL 61 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2fe0 s VAL 61 Cb -0.13 -2.94 0.14 0.00 0.00 0.00 0.00 36.38 33.44 2fe0 s VAL 61 CO 0.03 0.45 0.25 -0.22 0.00 0.00 0.00 175.10 175.61 2fe0 s LEU 62 N 0.59 0.58 -0.11 3.92 2.96 -0.37 -2.41 118.68 123.83 2fe0 s LEU 62 Ca 0.01 -1.85 0.01 0.00 -0.22 0.00 0.00 54.13 52.08 2fe0 s LEU 62 Cb -0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.46 2fe0 s LEU 62 CO 0.02 -0.31 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.90 2fe0 s VAL 63 N 1.35 2.97 -0.12 1.68 1.01 -1.18 -0.69 120.40 125.42 2fe0 s VAL 63 Ca 0.16 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2fe0 s VAL 63 Cb -0.20 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2fe0 s VAL 63 CO -0.06 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.63 2fe0 s THR 64 N 0.18 3.75 0.33 3.92 2.01 0.10 -2.32 115.64 123.60 2fe0 s THR 64 Ca -0.08 -0.43 0.09 0.00 0.31 0.00 0.00 61.69 61.59 2fe0 s THR 64 Cb -0.15 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2fe0 s THR 64 CO 0.05 0.54 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.13 2fe0 s PHE 65 N -0.07 2.51 0.49 4.92 0.40 0.26 -0.52 117.98 125.97 2fe0 s PHE 65 Ca 0.01 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 55.78 2fe0 s PHE 65 Cb -0.13 -1.39 -0.07 0.00 0.51 0.00 0.00 43.02 41.94 2fe0 s PHE 65 CO 0.03 0.54 0.92 1.21 0.70 0.00 0.00 175.22 178.62 2fe0 s ASN 66 N -3.67 6.57 0.22 1.36 2.47 -1.24 0.13 114.94 120.78 2fe0 s ASN 66 Ca 0.34 1.43 -0.12 0.00 0.42 0.00 0.00 52.86 54.93 2fe0 s ASN 66 Cb -0.01 -2.45 0.29 0.00 -1.45 0.00 0.00 41.25 37.63 2fe0 s ASN 66 CO 0.18 -0.54 1.63 -0.08 -3.72 0.00 0.00 177.10 174.57 2fe0 h GLU 67 N 0.96 0.03 -4.72 0.43 4.81 -1.72 -3.00 114.58 111.37 2fe0 h GLU 67 Ca -0.47 -0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.13 2fe0 h GLU 67 Cb 1.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2fe0 h GLU 67 CO 0.62 0.02 2.40 -3.47 -0.73 0.00 0.00 179.01 177.85 2fe0 n ASP 68 N -5.40 3.54 -3.50 1.04 2.03 -1.26 -4.78 116.55 108.22 2fe0 n ASP 68 Ca 0.09 -2.79 -0.06 0.00 0.52 0.00 0.00 54.79 52.56 2fe0 n ASP 68 Cb 0.36 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.17 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 2.68 6.50 0.20 0.00 2.15 -1.20 -4.92 116.67 122.07 2fe0 s ASP 70 Ca 0.05 -2.24 0.10 0.00 0.43 0.00 0.00 52.55 50.89 2fe0 s ASP 70 Cb -0.13 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2fe0 s ASP 70 CO -0.16 -1.53 -0.20 0.27 -0.17 0.00 0.00 175.17 173.39 2fe0 s ILE 71 N 5.48 2.09 0.27 4.11 -4.36 -1.25 0.20 121.20 127.73 2fe0 s ILE 71 Ca 0.56 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.92 2fe0 s ILE 71 Cb 0.03 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.65 2fe0 s ILE 71 CO 0.08 -0.30 0.01 -0.54 0.24 0.00 0.00 174.94 174.42 2fe0 s LYS 72 N -2.97 1.49 -0.13 0.37 1.02 0.65 -4.92 119.74 115.25 2fe0 s LYS 72 Ca 0.20 -1.78 -0.05 0.00 0.02 0.00 0.00 55.97 54.37 2fe0 s LYS 72 Cb -0.06 -0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 2fe0 s LYS 72 CO 0.09 -0.10 0.04 0.00 -0.92 0.00 0.00 175.35 174.47 2fe0 s ALA 73 N -3.29 3.41 0.46 5.17 0.00 -1.26 -1.67 121.76 124.58 2fe0 s ALA 73 Ca 0.32 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.58 2fe0 s ALA 73 Cb 0.06 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2fe0 s ALA 73 CO 0.12 0.43 0.23 -0.51 0.00 0.00 0.00 175.76 176.03 2fe0 s LEU 74 N -0.41 2.91 0.00 0.00 1.43 0.15 -4.91 118.68 117.86 2fe0 s LEU 74 Ca 0.09 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 2fe0 s LEU 74 Cb -0.12 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.79 2fe0 s LEU 74 CO 0.02 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.47 2fe0 n GLY 75 N -1.40 1.49 0.68 -3.19 0.00 -1.26 -1.02 105.19 100.49 2fe0 n GLY 75 Ca -0.03 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 14.00 1.90 -1.68 1.61 2.85 -1.26 -4.94 118.16 130.64 2fe0 n LYS 76 Ca 0.00 -1.35 -0.53 0.00 -1.05 0.00 0.00 58.31 55.38 2fe0 n LYS 76 Cb 0.00 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 32.90 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 0.58 0.31 -2.81 0.58 -1.04 -0.19 -4.90 114.28 106.82 2fe0 n THR 77 Ca 0.17 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.71 2fe0 n THR 77 Cb 0.39 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 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 3.00 4.50 -0.09 -2.82 2.20 -1.18 -4.58 119.74 120.77 2fe0 s LYS 78 Ca 0.93 1.25 0.03 0.00 -0.36 0.00 0.00 55.97 57.82 2fe0 s LYS 78 Cb -0.91 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 31.95 2fe0 s LYS 78 CO 0.56 -0.06 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.15 2fe0 s LEU 79 N 1.10 1.85 0.07 5.43 2.96 -1.26 -3.21 118.68 125.62 2fe0 s LEU 79 Ca 0.47 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 2fe0 s LEU 79 Cb -0.20 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.37 2fe0 s LEU 79 CO 0.24 0.08 0.23 -1.83 -1.32 0.00 0.00 176.35 173.74 2fe0 s GLU 80 N 0.64 0.81 0.11 1.98 -1.05 -1.15 -5.01 118.70 115.03 2fe0 s GLU 80 Ca -0.14 -0.77 -0.01 0.00 -0.15 0.00 0.00 54.97 53.90 2fe0 s GLU 80 Cb -0.16 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 2fe0 s GLU 80 CO 0.04 -0.26 0.28 -1.14 0.95 0.00 0.00 175.26 175.13 2fe0 s GLN 81 N -3.28 3.49 0.57 -4.83 0.74 -1.26 -2.19 119.66 112.91 2fe0 s GLN 81 Ca 0.00 -0.36 0.05 0.00 0.05 0.00 0.00 55.36 55.11 2fe0 s GLN 81 Cb 0.02 -2.96 0.07 0.00 1.10 0.00 0.00 33.01 31.24 2fe0 s GLN 81 CO -0.08 0.54 0.79 -0.65 -0.55 0.00 0.00 175.29 175.34 2fe0 s GLN 82 N -2.71 2.31 0.14 1.67 -1.52 0.11 -4.91 119.66 114.75 2fe0 s GLN 82 Ca 0.37 -1.28 -0.05 0.00 -1.95 0.00 0.00 55.36 52.45 2fe0 s GLN 82 Cb -0.12 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 30.05 2fe0 s GLN 82 CO 0.27 -0.84 1.35 1.49 -0.25 0.00 0.00 175.29 177.31 2fe0 h GLU 83 N 0.10 0.47 0.00 2.91 4.57 -2.00 -2.94 114.58 117.69 2fe0 h GLU 83 Ca -0.36 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.39 2fe0 h GLU 83 Cb 1.28 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 2fe0 h GLU 83 CO 0.43 1.08 0.00 0.27 -1.18 0.00 0.00 179.01 179.61 2fe0 n ASN 84 N -3.81 0.00 -1.23 1.04 2.04 -1.26 -4.88 115.26 107.16 2fe0 n ASN 84 Ca -0.06 -0.95 0.00 0.00 -0.44 0.00 0.00 54.58 53.13 2fe0 n ASN 84 Cb 0.77 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.02 2fe0 n ASN 84 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2fe0 n GLY 85 N 0.75 0.07 3.15 4.83 0.00 -1.11 -4.96 105.19 107.91 2fe0 n GLY 85 Ca 0.20 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.82 0.66 -0.09 1.61 2.02 -1.26 -1.99 118.70 116.84 2fe0 s GLU 86 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2fe0 s GLU 86 Cb 0.00 0.26 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 2fe0 s GLU 86 CO 0.00 -0.18 -0.08 -1.58 0.02 0.00 0.00 175.26 173.44 2fe0 s TRP 87 N -2.94 2.91 -0.03 1.61 0.52 0.12 0.08 118.94 121.21 2fe0 s TRP 87 Ca -0.02 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2fe0 s TRP 87 Cb 0.01 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 2fe0 s TRP 87 CO -0.06 0.18 -0.15 0.08 0.02 0.00 0.00 176.95 177.01 2fe0 s VAL 88 N -0.44 1.26 -0.19 4.03 1.01 -0.93 0.93 120.40 126.07 2fe0 s VAL 88 Ca 0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2fe0 s VAL 88 Cb -0.12 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.24 2fe0 s VAL 88 CO 0.02 0.36 0.06 0.00 0.00 0.00 0.00 175.10 175.54 2fe0 s ALA 89 N -0.10 0.79 0.00 5.51 0.00 -0.98 -2.93 121.76 124.05 2fe0 s ALA 89 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.46 2fe0 s ALA 89 Cb -0.09 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 2fe0 s ALA 89 CO 0.01 -1.20 -0.25 -1.54 0.00 0.00 0.00 175.76 172.78 2fe0 s SER 90 N 1.96 3.19 -0.27 0.00 1.04 -1.20 -3.13 113.70 115.29 2fe0 s SER 90 Ca 0.01 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 2fe0 s SER 90 Cb -0.17 -0.36 0.09 0.00 0.10 0.00 0.00 66.02 65.68 2fe0 s SER 90 CO -0.09 0.30 0.82 0.54 0.98 0.00 0.00 173.24 175.78 2fe0 s VAL 91 N -0.70 0.00 -0.09 5.02 0.11 -1.01 -3.09 120.40 120.64 2fe0 s VAL 91 Ca 0.11 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 2fe0 s VAL 91 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.00 0.00 0.33 -0.69 -3.33 0.00 0.00 175.10 171.41 2fe0 s VAL 92 N 0.43 5.22 -0.10 2.04 1.01 -1.26 -2.26 120.40 125.48 2fe0 s VAL 92 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 2fe0 s VAL 92 Cb -0.05 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2fe0 s VAL 92 CO -0.03 0.50 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 2fe0 s VAL 93 N -0.41 3.64 0.12 2.92 1.01 -0.40 -5.03 120.40 122.25 2fe0 s VAL 93 Ca 0.20 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2fe0 s VAL 93 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2fe0 s VAL 93 CO 0.08 0.56 0.28 -0.31 0.00 0.00 0.00 175.10 175.71 2fe0 s TYR 94 N -0.34 3.50 0.51 5.22 2.02 -1.26 -2.72 117.35 124.28 2fe0 s TYR 94 Ca 0.05 0.23 -0.23 0.00 -0.37 0.00 0.00 57.07 56.75 2fe0 s TYR 94 Cb -0.12 -1.75 -0.06 0.00 -0.40 0.00 0.00 41.96 39.62 2fe0 s TYR 94 CO 0.02 0.52 1.39 -1.25 -1.57 0.00 0.00 175.55 174.66 2fe0 s PRO 95 N -2.93 3.34 -1.87 -1.71 0.04 -1.26 -2.17 135.00 128.44 2fe0 s PRO 95 Ca 0.36 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2fe0 s PRO 95 Cb -0.12 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2fe0 s PRO 95 CO 0.28 -1.05 0.00 0.00 0.04 0.00 0.00 177.00 176.27 2fe0 s GLU 97 N -4.03 0.08 -0.20 0.00 2.02 -0.92 -5.02 118.70 110.63 2fe0 s GLU 97 Ca 0.00 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.42 2fe0 s GLU 97 Cb 0.00 -0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.00 2fe0 s GLU 97 CO 0.00 -0.23 0.03 0.99 0.02 0.00 0.00 175.26 176.07 2fe0 s THR 98 N 1.72 4.33 0.28 3.63 2.01 -1.26 -4.23 115.64 122.12 2fe0 s THR 98 Ca -0.04 -0.19 0.12 0.00 0.31 0.00 0.00 61.69 61.89 2fe0 s THR 98 Cb -0.12 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 2fe0 s THR 98 CO -0.06 0.43 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.50 2fe0 s GLU 99 N 0.82 1.72 0.43 4.92 0.41 -1.23 -4.89 118.70 120.88 2fe0 s GLU 99 Ca 0.02 -1.76 -0.13 0.00 -0.41 0.00 0.00 54.97 52.69 2fe0 s GLU 99 Cb -0.14 -1.79 -0.07 0.00 -1.78 0.00 0.00 34.13 30.35 2fe0 s GLU 99 CO 0.02 0.32 0.84 -1.64 -0.49 0.00 0.00 175.26 174.31 2fe0 s MET 100 N -3.52 3.88 0.00 1.61 -1.94 -1.26 -3.29 119.30 114.78 2fe0 s MET 100 Ca 0.30 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.96 2fe0 s MET 100 Cb -0.05 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.48 2fe0 s MET 100 CO 0.15 -0.08 0.00 0.34 -0.01 0.00 0.00 175.02 175.42 2fe0 n PHE 101 N -1.22 0.00 -4.35 -0.03 7.35 -0.21 -4.38 117.46 114.62 2fe0 n PHE 101 Ca 0.04 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.51 2fe0 n PHE 101 Cb 0.54 0.00 -0.11 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 1.32 1.88 0.09 -2.13 -5.25 -1.25 0.35 121.20 116.21 2fe0 s ILE 102 Ca 0.00 -1.99 0.02 0.00 -0.99 0.00 0.00 60.65 57.69 2fe0 s ILE 102 Cb 0.00 -1.91 -0.04 0.00 2.95 0.00 0.00 42.46 43.46 2fe0 s ILE 102 CO 0.00 -0.35 -0.07 -0.70 -1.79 0.00 0.00 174.94 172.03 2fe0 s GLU 103 N -2.95 0.79 0.00 0.37 -6.30 -0.67 0.31 118.70 110.26 2fe0 s GLU 103 Ca 0.18 -1.24 0.00 0.00 -2.50 0.00 0.00 54.97 51.41 2fe0 s GLU 103 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 34.13 33.83 2fe0 s GLU 103 CO 0.07 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.76 2fe0 n GLY 104 N 0.22 0.42 3.84 -1.50 0.00 -1.12 0.24 105.19 107.28 2fe0 n GLY 104 Ca -0.14 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.25 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 3.92 -0.04 1.61 3.52 0.53 -4.89 118.95 123.60 2fe0 s ARG 105 Ca 0.00 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.07 2fe0 s ARG 105 Cb 0.00 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.19 2fe0 s ARG 105 CO 0.00 0.67 -0.19 0.08 -0.81 0.00 0.00 175.30 175.05 2fe0 s VAL 106 N -1.13 1.56 -0.18 7.11 1.01 -1.26 -3.25 120.40 124.25 2fe0 s VAL 106 Ca 0.25 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2fe0 s VAL 106 Cb -0.17 -1.33 0.09 0.00 0.00 0.00 0.00 36.38 34.98 2fe0 s VAL 106 CO 0.14 0.44 0.33 0.54 0.00 0.00 0.00 175.10 176.56 2fe0 s ASN 107 N -0.10 0.28 -0.17 3.32 4.22 -1.26 -5.04 114.94 116.19 2fe0 s ASN 107 Ca -0.01 0.52 -0.12 0.00 -2.14 0.00 0.00 52.86 51.11 2fe0 s ASN 107 Cb -0.11 0.94 0.05 0.00 1.28 0.00 0.00 41.25 43.41 2fe0 s ASN 107 CO 0.02 -0.26 0.23 0.61 -2.04 0.00 0.00 177.10 175.66 2fe0 n GLY 108 N 5.36 -4.98 3.31 0.45 0.00 -1.26 -4.52 105.19 103.55 2fe0 n GLY 108 Ca -0.06 1.70 -0.11 0.00 0.00 0.00 0.00 46.02 47.55 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 -0.62 -0.20 -0.12 1.61 -0.71 -1.26 -3.62 117.98 113.06 2fe0 s PHE 109 Ca -0.27 -0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 55.55 2fe0 s PHE 109 Cb 0.02 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 2fe0 s PHE 109 CO 0.73 -0.65 -0.04 0.15 -1.34 0.00 0.00 175.22 174.07 2fe0 s LYS 110 N -3.41 3.34 -0.09 1.99 1.02 0.32 -4.96 119.74 117.95 2fe0 s LYS 110 Ca 0.01 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.52 2fe0 s LYS 110 Cb 0.01 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2fe0 s LYS 110 CO -0.09 0.42 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.47 2fe0 s SER 111 N -0.14 3.69 -0.05 2.83 0.01 -1.26 0.01 113.70 118.80 2fe0 s SER 111 Ca 0.03 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2fe0 s SER 111 Cb -0.13 -1.17 0.03 0.00 0.21 0.00 0.00 66.02 64.95 2fe0 s SER 111 CO 0.02 0.24 0.01 -0.75 0.41 0.00 0.00 173.24 173.17 2fe0 s LYS 112 N -0.09 0.40 0.28 12.44 2.20 0.13 -4.99 119.74 130.11 2fe0 s LYS 112 Ca -0.03 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2fe0 s LYS 112 Cb -0.14 -0.70 -0.06 0.00 -1.51 0.00 0.00 37.83 35.43 2fe0 s LYS 112 CO 0.04 -0.22 0.07 -1.64 -0.36 0.00 0.00 175.35 173.23 2fe0 s MET 113 N 1.54 1.49 0.19 4.03 -1.94 -1.26 -1.23 119.30 122.12 2fe0 s MET 113 Ca -0.02 -1.81 -0.24 0.00 -1.71 0.00 0.00 55.69 51.92 2fe0 s MET 113 Cb -0.13 -0.54 0.05 0.00 2.01 0.00 0.00 34.83 36.22 2fe0 s MET 113 CO -0.03 -0.22 0.90 0.34 -0.01 0.00 0.00 175.02 176.00 2fe0 s ASP 114 N -3.38 -0.18 -0.43 3.03 2.15 -1.18 -5.01 116.67 111.67 2fe0 s ASP 114 Ca 0.36 -0.49 0.02 0.00 0.43 0.00 0.00 52.55 52.87 2fe0 s ASP 114 Cb 0.08 0.56 0.13 0.00 -0.30 0.00 0.00 42.92 43.39 2fe0 s ASP 114 CO 0.14 -1.04 0.22 0.00 -0.17 0.00 0.00 175.17 174.31 2fe0 s ALA 115 N -3.36 2.21 0.59 3.66 0.00 -1.26 -2.44 121.76 121.16 2fe0 s ALA 115 Ca 0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 51.96 49.49 2fe0 s ALA 115 Cb -0.03 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.23 2fe0 s ALA 115 CO 0.04 -2.00 0.89 -0.51 0.00 0.00 0.00 175.76 174.18 2fe0 s LEU 116 N 0.47 3.20 0.05 0.00 1.43 -0.92 -4.80 118.68 118.11 2fe0 s LEU 116 Ca 0.16 0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 53.57 2fe0 s LEU 116 Cb -0.24 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2fe0 s LEU 116 CO -0.03 -1.13 0.81 -2.84 0.23 0.00 0.00 176.35 173.40 2fe0 s PRO 117 N -4.98 4.54 -0.05 1.29 0.02 -1.26 -0.11 135.00 134.45 2fe0 s PRO 117 Ca 0.55 1.16 -0.34 0.00 0.02 0.00 0.00 61.00 62.38 2fe0 s PRO 117 Cb -0.10 -3.37 -0.12 0.00 0.02 0.00 0.00 34.50 30.92 2fe0 s PRO 117 CO 0.44 0.24 1.86 1.28 -0.33 0.00 0.00 177.00 180.49 2fe0 n LEU 118 N 2.89 3.46 0.00 -5.54 4.77 -1.22 -4.79 117.00 116.57 2fe0 n LEU 118 Ca -0.01 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2fe0 n LEU 118 Cb 0.50 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2fe0 n LEU 118 CO 0.48 -0.06 0.00 -0.24 -1.33 0.00 0.00 177.39 176.24 2fe0 n SER 119 N 6.35 0.00 0.17 -1.43 2.88 -1.26 -4.94 113.62 115.39 2fe0 n SER 119 Ca 0.22 -0.21 0.03 0.00 -1.33 0.00 0.00 58.87 57.58 2fe0 n SER 119 Cb 0.30 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.18 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2fe0 h GLU 120 N 0.00 0.10 -0.06 -1.46 4.11 -2.00 -2.95 114.58 112.32 2fe0 h GLU 120 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.44 2fe0 h GLU 120 Cb 0.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2fe0 h GLU 120 CO 0.00 0.31 -0.23 1.49 0.07 0.00 0.00 179.01 180.65 2fe0 h GLU 121 N 0.09 -0.31 -0.70 1.06 4.81 -1.99 0.60 114.58 118.14 2fe0 h GLU 121 Ca 0.02 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2fe0 h GLU 121 Cb 0.43 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 2fe0 h GLU 121 CO 0.03 -0.21 0.39 -0.92 -0.73 0.00 0.00 179.01 177.57 2fe0 h TYR 122 N -0.32 0.70 -0.64 0.92 3.20 -1.88 0.53 116.97 119.48 2fe0 h TYR 122 Ca 0.08 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.01 2fe0 h TYR 122 Cb 0.44 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 2fe0 h TYR 122 CO -0.30 0.31 0.38 0.00 -1.64 0.00 0.00 178.16 176.92 2fe0 h ARG 123 N 0.69 0.73 -0.23 1.82 3.08 -1.25 -2.08 114.38 117.15 2fe0 h ARG 123 Ca 0.32 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.15 2fe0 h ARG 123 Cb 0.24 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2fe0 h ARG 123 CO -0.21 0.48 -0.58 0.37 -1.07 0.00 0.00 179.97 178.96 2fe0 h GLN 124 N 0.75 0.73 -0.40 0.04 5.75 0.04 -2.74 115.11 119.28 2fe0 h GLN 124 Ca 0.26 -0.48 0.08 0.00 -0.15 0.00 0.00 58.65 58.37 2fe0 h GLN 124 Cb 0.05 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 28.59 2fe0 h GLN 124 CO -0.12 1.10 -0.13 1.25 -2.65 0.00 0.00 178.83 178.28 2fe0 h HIS 125 N 0.55 -0.30 -0.38 3.99 2.76 0.64 0.29 115.15 122.71 2fe0 h HIS 125 Ca 0.00 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2fe0 h HIS 125 Cb 1.16 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 30.30 2fe0 h HIS 125 CO 0.06 -0.21 -0.07 1.96 -1.30 0.00 0.00 177.93 178.37 2fe0 h GLN 126 N -0.04 0.64 -0.61 5.26 1.08 -1.41 -2.60 115.11 117.43 2fe0 h GLN 126 Ca 0.19 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 2fe0 h GLN 126 Cb 0.34 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 2fe0 h GLN 126 CO -0.43 0.71 0.16 0.00 -0.95 0.00 0.00 178.83 178.31 2fe0 h ALA 127 N 1.33 1.12 -0.02 3.87 0.00 -0.71 -2.03 119.26 122.82 2fe0 h ALA 127 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2fe0 h ALA 127 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2fe0 h ALA 127 CO 0.03 0.59 -0.10 0.93 0.00 0.00 0.00 179.25 180.70 2fe0 h GLU 128 N 0.92 0.02 0.00 0.00 4.39 -0.12 0.38 114.58 120.17 2fe0 h GLU 128 Ca 0.20 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2fe0 h GLU 128 Cb 0.32 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2fe0 h GLU 128 CO -0.00 0.13 0.00 1.63 -1.16 0.00 0.00 179.01 179.60 2fe0 n LYS 129 N -4.41 0.63 -3.72 2.33 5.02 -0.77 -4.90 118.16 112.34 2fe0 n LYS 129 Ca -0.02 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 2fe0 n LYS 129 Cb 0.18 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2fe0 n LYS 129 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fe0 n ASP 130 N -1.17 -3.40 0.00 4.39 8.00 0.12 -5.11 116.55 119.38 2fe0 n ASP 130 Ca 0.17 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.94 2fe0 n ASP 130 Cb 0.17 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98