#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a57 n PHE 2 N 0.00 0.00 -0.96 0.00 3.01 -1.26 -4.96 117.46 113.29 1a57 n PHE 2 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1a57 n PHE 2 Cb 0.00 -0.83 -0.14 0.00 -0.01 0.00 0.00 39.48 38.50 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1a57 n ASP 3 N -2.82 -0.69 0.00 4.37 5.75 -1.23 -4.61 116.55 117.33 1a57 n ASP 3 Ca -0.32 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1a57 n ASP 3 Cb 1.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a57 n GLY 4 N 3.66 -1.34 3.99 6.12 0.00 -1.08 -5.00 105.19 111.55 1a57 n GLY 4 Ca 0.43 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1a57 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a57 s THR 5 N -3.00 3.50 -0.04 2.61 2.01 -1.26 -3.74 115.64 115.71 1a57 s THR 5 Ca 0.00 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 1a57 s THR 5 Cb 0.00 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1a57 s THR 5 CO 0.00 -0.08 0.11 0.26 -0.69 0.00 0.00 174.62 174.23 1a57 s TRP 6 N -2.27 -0.12 0.33 4.92 0.52 -0.21 -4.78 118.94 117.32 1a57 s TRP 6 Ca 0.50 0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.92 1a57 s TRP 6 Cb -0.09 0.04 0.00 0.00 -1.15 0.00 0.00 33.47 32.27 1a57 s TRP 6 CO 0.32 -0.06 0.00 1.63 0.02 0.00 0.00 176.95 178.85 1a57 n LYS 7 N 2.99 -2.73 -2.54 4.98 5.02 0.31 -0.13 118.16 126.08 1a57 n LYS 7 Ca -0.12 1.83 0.00 0.00 -2.02 0.00 0.00 58.31 58.00 1a57 n LYS 7 Cb 0.59 -3.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.28 1a57 n LYS 7 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1a57 n VAL 8 N -3.98 -1.39 -2.45 -0.18 3.14 -1.26 -4.72 118.33 107.49 1a57 n VAL 8 Ca 0.00 0.31 0.04 0.00 -2.96 0.00 0.00 64.34 61.73 1a57 n VAL 8 Cb 0.66 -2.24 0.02 0.00 -1.06 0.00 0.00 33.84 31.22 1a57 n VAL 8 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a57 n ASP 9 N 1.51 0.93 -2.28 6.55 8.00 -1.26 -5.02 116.55 124.98 1a57 n ASP 9 Ca 0.00 -2.02 -0.11 0.00 0.71 0.00 0.00 54.79 53.37 1a57 n ASP 9 Cb 0.31 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 1a57 n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1a57 n ARG 10 N 0.44 0.30 -2.23 -1.24 1.74 -1.26 -5.06 116.66 109.34 1a57 n ARG 10 Ca 0.06 -1.87 -0.03 0.00 -0.77 0.00 0.00 57.85 55.23 1a57 n ARG 10 Cb 1.11 1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 34.13 1a57 n ARG 10 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1a57 n ASN 11 N -2.09 -2.22 -4.36 0.55 3.02 -1.26 -5.07 115.26 103.83 1a57 n ASN 11 Ca 0.03 1.07 -0.27 0.00 -0.03 0.00 0.00 54.58 55.39 1a57 n ASN 11 Cb 0.35 -4.12 -0.13 0.00 -0.61 0.00 0.00 39.78 35.28 1a57 n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1a57 s GLU 12 N -0.81 1.32 -0.79 3.52 2.02 -1.26 -4.73 118.70 117.96 1a57 s GLU 12 Ca -0.17 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 53.47 1a57 s GLU 12 Cb 0.01 -1.69 -0.05 0.00 0.10 0.00 0.00 34.13 32.50 1a57 s GLU 12 CO 0.46 0.39 0.69 -1.71 0.02 0.00 0.00 175.26 175.11 1a57 n ASN 13 N 0.85 -5.14 -4.25 -0.19 2.85 -1.26 -5.01 115.26 103.11 1a57 n ASN 13 Ca -0.18 -0.52 -0.34 0.00 -0.11 0.00 0.00 54.58 53.43 1a57 n ASN 13 Cb 0.54 -4.01 -0.15 0.00 1.24 0.00 0.00 39.78 37.39 1a57 n ASN 13 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1a57 s TYR 14 N -3.29 2.85 -0.04 1.20 1.13 -1.26 -4.96 117.35 112.98 1a57 s TYR 14 Ca 0.31 -1.15 0.12 0.00 -1.41 0.00 0.00 57.07 54.94 1a57 s TYR 14 Cb -0.04 -1.98 0.22 0.00 -1.10 0.00 0.00 41.96 39.06 1a57 s TYR 14 CO 0.55 -0.58 1.10 0.45 -2.51 0.00 0.00 175.55 174.56 1a57 n SER 15 N 4.48 0.83 -2.90 -0.18 2.88 -1.26 -4.83 113.62 112.63 1a57 n SER 15 Ca -0.19 -2.35 -0.14 0.00 -1.33 0.00 0.00 58.87 54.86 1a57 n SER 15 Cb 0.51 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1a57 n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a57 n GLY 16 N -0.16 2.57 2.77 0.46 0.00 -1.26 -5.07 105.19 104.50 1a57 n GLY 16 Ca 0.06 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1a57 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a57 n ALA 17 N 0.08 -2.05 0.00 4.61 0.00 -1.26 -5.10 120.51 116.79 1a57 n ALA 17 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1a57 n ALA 17 Cb 0.74 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.54 1a57 n ALA 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1a57 n HIS 18 N -0.55 -0.11 -2.83 0.00 1.44 -1.26 -5.11 115.22 106.81 1a57 n HIS 18 Ca -0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.28 1a57 n HIS 18 Cb 0.42 0.02 -0.04 0.00 0.12 0.00 0.00 29.99 30.51 1a57 n HIS 18 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1a57 s ASP 19 N -1.08 6.83 0.35 4.39 2.15 -1.26 -5.02 116.67 123.04 1a57 s ASP 19 Ca 0.00 0.96 0.09 0.00 0.43 0.00 0.00 52.55 54.03 1a57 s ASP 19 Cb 0.00 -2.46 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 1a57 s ASP 19 CO 0.00 -0.64 -0.08 0.54 -0.17 0.00 0.00 175.17 174.82 1a57 s ASN 20 N 1.48 3.77 -0.06 -0.34 2.20 -1.26 -5.13 114.94 115.60 1a57 s ASN 20 Ca 0.37 -1.22 -0.05 0.00 -0.94 0.00 0.00 52.86 51.03 1a57 s ASN 20 Cb -0.14 -0.36 0.01 0.00 -2.00 0.00 0.00 41.25 38.76 1a57 s ASN 20 CO 0.10 -0.24 0.15 -0.76 -2.94 0.00 0.00 177.10 173.41 1a57 s LEU 21 N -3.63 1.43 -0.05 3.54 1.02 -1.26 -4.03 118.68 115.70 1a57 s LEU 21 Ca 0.33 0.30 -0.31 0.00 0.02 0.00 0.00 54.13 54.47 1a57 s LEU 21 Cb 0.03 0.50 0.07 0.00 0.02 0.00 0.00 46.19 46.82 1a57 s LEU 21 CO 0.17 -0.05 0.68 -1.59 0.02 0.00 0.00 176.35 175.57 1a57 s LYS 22 N 0.08 1.05 0.51 1.70 -2.85 -1.26 -4.40 119.74 114.58 1a57 s LYS 22 Ca -0.00 0.27 0.03 0.00 -1.00 0.00 0.00 55.97 55.27 1a57 s LYS 22 Cb -0.01 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1a57 s LYS 22 CO 0.00 -0.32 0.13 -0.51 0.10 0.00 0.00 175.35 174.75 1a57 s LEU 23 N -1.16 2.48 0.00 2.77 1.43 0.82 -2.66 118.68 122.37 1a57 s LEU 23 Ca -0.11 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1a57 s LEU 23 Cb -0.00 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1a57 s LEU 23 CO 0.10 -0.90 0.00 0.41 0.23 0.00 0.00 176.35 176.19 1a57 n THR 24 N -1.40 0.00 -0.54 5.49 -1.04 -1.26 -1.04 114.28 114.48 1a57 n THR 24 Ca -0.12 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.95 1a57 n THR 24 Cb 0.66 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.14 1a57 n THR 24 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1a57 n ILE 25 N -0.38 -0.28 0.00 12.58 5.41 -1.25 -3.68 119.36 131.77 1a57 n ILE 25 Ca 0.00 0.32 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1a57 n ILE 25 Cb 0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 1a57 n ILE 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1a57 n THR 26 N -2.96 0.00 -1.56 1.39 -1.04 -1.26 -2.64 114.28 106.21 1a57 n THR 26 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1a57 n THR 26 Cb 0.26 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1a57 n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a57 n GLN 27 N -2.44 -4.03 0.00 -2.82 10.64 -1.25 -3.56 117.38 113.92 1a57 n GLN 27 Ca 0.00 2.96 0.00 0.00 -1.83 0.00 0.00 57.00 58.13 1a57 n GLN 27 Cb 0.04 -3.11 0.00 0.00 -0.86 0.00 0.00 30.24 26.31 1a57 n GLN 27 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1a57 n GLU 28 N 1.05 0.25 -0.07 2.61 2.13 0.18 -4.92 120.64 121.87 1a57 n GLU 28 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1a57 n GLU 28 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1a57 n GLU 28 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1a57 h GLY 29 N 0.00 0.00 -6.30 8.31 0.00 -2.01 -3.41 103.07 99.66 1a57 h GLY 29 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1a57 h GLY 29 CO 0.00 0.00 -0.95 1.16 0.00 0.00 0.00 176.54 176.75 1a57 n ASN 30 N -4.65 0.47 -3.15 0.19 0.23 -1.26 -5.03 115.26 102.05 1a57 n ASN 30 Ca -0.09 -2.66 0.05 0.00 -0.53 0.00 0.00 54.58 51.35 1a57 n ASN 30 Cb 0.34 -0.61 -0.00 0.00 -2.08 0.00 0.00 39.78 37.42 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1a57 s LYS 31 N -0.74 0.33 0.13 -3.83 2.36 -1.26 -4.11 119.74 112.62 1a57 s LYS 31 Ca 0.33 0.40 -0.01 0.00 -2.55 0.00 0.00 55.97 54.14 1a57 s LYS 31 Cb 0.08 0.20 -0.04 0.00 -1.05 0.00 0.00 37.83 37.02 1a57 s LYS 31 CO -0.15 -0.54 0.06 -0.59 1.55 0.00 0.00 175.35 175.67 1a57 s PHE 32 N 2.91 0.85 -0.04 4.03 -0.71 -1.25 -0.64 117.98 123.12 1a57 s PHE 32 Ca 0.16 -1.23 -0.01 0.00 -1.04 0.00 0.00 56.93 54.82 1a57 s PHE 32 Cb -0.07 -0.47 0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1a57 s PHE 32 CO -0.22 -0.52 0.02 -0.08 -1.34 0.00 0.00 175.22 173.08 1a57 s THR 33 N -4.04 0.14 0.01 -4.49 -1.32 -1.26 -3.37 115.64 101.29 1a57 s THR 33 Ca 0.24 0.19 -0.25 0.00 -1.21 0.00 0.00 61.69 60.66 1a57 s THR 33 Cb 0.07 -0.29 -0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1a57 s THR 33 CO 0.02 0.18 0.76 -0.69 -2.21 0.00 0.00 174.62 172.68 1a57 s VAL 34 N 1.53 4.84 -1.92 5.08 1.01 -1.10 -3.79 120.40 126.06 1a57 s VAL 34 Ca -0.03 1.61 0.19 0.00 0.00 0.00 0.00 61.98 63.75 1a57 s VAL 34 Cb -0.13 -4.11 0.51 0.00 0.00 0.00 0.00 36.38 32.65 1a57 s VAL 34 CO -0.03 0.31 1.53 1.17 0.00 0.00 0.00 175.10 178.09 1a57 n LYS 35 N 3.20 0.55 -1.33 2.72 4.81 -1.26 -3.27 118.16 123.58 1a57 n LYS 35 Ca -0.01 0.02 -0.22 0.00 -0.87 0.00 0.00 58.31 57.23 1a57 n LYS 35 Cb 0.51 -1.50 -0.20 0.00 0.02 0.00 0.00 35.03 33.86 1a57 n LYS 35 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1a57 n GLU 36 N -1.04 0.00 -3.35 1.64 2.13 -1.23 -4.46 120.64 114.32 1a57 n GLU 36 Ca 0.13 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.58 1a57 n GLU 36 Cb 0.08 -0.94 -0.06 0.00 0.27 0.00 0.00 31.44 30.79 1a57 n GLU 36 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1a57 s SER 37 N 0.95 6.75 0.00 4.31 0.15 -1.09 -4.57 113.70 120.21 1a57 s SER 37 Ca 1.18 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1a57 s SER 37 Cb -0.80 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.23 1a57 s SER 37 CO 0.50 0.11 0.00 -1.54 1.20 0.00 0.00 173.24 173.51 1a57 n SER 38 N 3.02 0.00 0.00 5.45 3.41 -0.37 -4.10 113.62 121.03 1a57 n SER 38 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1a57 n SER 38 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a57 n ASN 39 N 0.41 0.00 -0.01 4.04 4.13 -1.26 -2.20 115.26 120.37 1a57 n ASN 39 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1a57 n ASN 39 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1a57 n PHE 40 N 0.00 0.00 -0.60 3.10 3.72 -1.26 -5.11 117.46 117.32 1a57 n PHE 40 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1a57 n PHE 40 Cb 0.00 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1a57 n PHE 40 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1a57 n ARG 41 N -2.42 0.00 0.15 -1.08 0.00 -0.93 -5.01 116.66 107.37 1a57 n ARG 41 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.87 1a57 n ARG 41 Cb 0.57 0.00 0.07 0.00 -0.00 0.00 0.00 32.46 33.09 1a57 n ARG 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1a57 h ASN 42 N 0.00 0.00 -5.56 2.89 2.35 -1.90 -0.98 115.58 112.38 1a57 h ASN 42 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1a57 h ASN 42 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1a57 h ASN 42 CO 0.00 0.23 -0.29 0.00 -1.65 0.00 0.00 177.43 175.72 1a57 n ILE 43 N -3.05 -0.84 -1.49 2.81 3.06 -1.26 -3.75 119.36 114.84 1a57 n ILE 43 Ca 0.01 -0.01 -0.33 0.00 -2.50 0.00 0.00 62.75 59.92 1a57 n ILE 43 Cb 0.64 -0.75 0.08 0.00 0.54 0.00 0.00 39.64 40.15 1a57 n ILE 43 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 1a57 s ASP 44 N -2.38 4.46 -0.18 9.51 -4.77 -1.26 -4.84 116.67 117.21 1a57 s ASP 44 Ca 0.01 2.17 0.01 0.00 -3.30 0.00 0.00 52.55 51.44 1a57 s ASP 44 Cb -0.00 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.29 1a57 s ASP 44 CO 0.24 -2.07 -0.14 -0.69 0.70 0.00 0.00 175.17 173.20 1a57 s VAL 45 N -2.23 1.75 0.31 2.11 1.01 -1.20 -5.01 120.40 117.13 1a57 s VAL 45 Ca 0.70 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1a57 s VAL 45 Cb -0.24 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1a57 s VAL 45 CO 0.45 0.35 -0.09 0.54 0.00 0.00 0.00 175.10 176.35 1a57 s VAL 46 N 1.39 2.56 0.00 2.92 0.11 -1.26 -2.71 120.40 123.40 1a57 s VAL 46 Ca 0.02 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 56.89 1a57 s VAL 46 Cb -0.14 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1a57 s VAL 46 CO -0.10 -0.29 0.00 2.22 -3.33 0.00 0.00 175.10 173.60 1a57 n PHE 47 N -0.78 0.00 -2.66 1.54 1.16 -1.22 -5.06 117.46 110.44 1a57 n PHE 47 Ca -0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.44 1a57 n PHE 47 Cb 0.61 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.51 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1a57 n GLU 48 N 0.00 1.27 -3.03 3.97 2.13 -1.26 -3.94 120.64 119.78 1a57 n GLU 48 Ca 0.00 -3.32 0.00 0.00 0.66 0.00 0.00 57.16 54.50 1a57 n GLU 48 Cb 0.00 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1a57 n GLU 48 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a57 n LEU 49 N -0.11 -4.38 -0.23 4.31 0.00 -1.26 -4.59 117.00 110.75 1a57 n LEU 49 Ca 0.10 0.85 0.00 0.00 0.00 0.00 0.00 56.01 56.96 1a57 n LEU 49 Cb 0.81 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.72 1a57 n LEU 49 CO 0.26 -2.53 0.00 0.61 0.00 0.00 0.00 177.39 175.73 1a57 n GLY 50 N 2.30 0.61 3.04 -3.96 0.00 0.55 -4.88 105.19 102.85 1a57 n GLY 50 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1a57 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 51 N -1.63 -0.35 0.37 1.61 1.01 -1.26 -5.00 120.40 115.14 1a57 s VAL 51 Ca 0.00 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1a57 s VAL 51 Cb 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 1a57 s VAL 51 CO 0.00 0.10 0.74 1.51 0.00 0.00 0.00 175.10 177.45 1a57 s ASP 52 N 2.20 6.60 -0.29 3.32 -4.77 -1.26 -3.79 116.67 118.67 1a57 s ASP 52 Ca -0.01 1.15 -0.15 0.00 -3.30 0.00 0.00 52.55 50.24 1a57 s ASP 52 Cb -0.12 -2.33 0.15 0.00 -1.09 0.00 0.00 42.92 39.54 1a57 s ASP 52 CO -0.09 -0.32 0.94 0.72 0.70 0.00 0.00 175.17 177.12 1a57 s PHE 53 N -2.22 -0.71 -0.27 2.11 -0.71 0.64 -4.97 117.98 111.85 1a57 s PHE 53 Ca 0.52 1.31 -0.23 0.00 -1.04 0.00 0.00 56.93 57.48 1a57 s PHE 53 Cb -0.10 0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 1a57 s PHE 53 CO 0.27 -0.35 0.75 0.00 -1.34 0.00 0.00 175.22 174.55 1a57 s ALA 54 N 2.02 3.59 -0.04 1.99 0.00 -1.26 -2.31 121.76 125.75 1a57 s ALA 54 Ca -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1a57 s ALA 54 Cb -0.06 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1a57 s ALA 54 CO -0.17 -1.01 0.10 -0.47 0.00 0.00 0.00 175.76 174.22 1a57 s TYR 55 N 2.79 -0.11 0.11 0.00 5.04 -1.24 -4.99 117.35 118.94 1a57 s TYR 55 Ca 0.31 0.31 -0.18 0.00 -2.44 0.00 0.00 57.07 55.07 1a57 s TYR 55 Cb -0.15 -0.03 -0.07 0.00 0.35 0.00 0.00 41.96 42.06 1a57 s TYR 55 CO 0.10 -0.09 0.57 0.45 -1.34 0.00 0.00 175.55 175.24 1a57 s SER 56 N 0.52 6.99 0.06 4.32 0.15 -1.26 -3.44 113.70 121.04 1a57 s SER 56 Ca -0.04 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1a57 s SER 56 Cb -0.05 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1a57 s SER 56 CO -0.02 0.20 0.00 -0.11 1.20 0.00 0.00 173.24 174.51 1a57 n LEU 57 N 1.36 0.07 -1.66 3.45 0.00 -1.26 -4.91 117.00 114.05 1a57 n LEU 57 Ca -0.08 0.10 -0.04 0.00 0.00 0.00 0.00 56.01 55.98 1a57 n LEU 57 Cb 0.51 0.04 0.22 0.00 0.00 0.00 0.00 43.42 44.20 1a57 n LEU 57 CO 0.42 -0.57 0.85 0.00 0.00 0.00 0.00 177.39 178.08 1a57 n ALA 58 N -2.75 4.01 -1.36 1.96 0.00 -1.26 -4.87 120.51 116.23 1a57 n ALA 58 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 53.44 51.65 1a57 n ALA 58 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 1a57 n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a57 n ASP 59 N -0.02 -5.70 -2.67 0.00 8.00 -1.26 -4.62 116.55 110.28 1a57 n ASP 59 Ca 0.29 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 56.07 1a57 n ASP 59 Cb 1.10 -4.31 0.07 0.00 -0.02 0.00 0.00 41.12 37.97 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a57 n GLY 60 N 0.15 -0.97 0.00 0.44 0.00 -1.26 -5.05 105.19 98.49 1a57 n GLY 60 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1a57 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a57 n THR 61 N 0.11 0.00 -1.16 2.61 -2.24 -1.26 -5.01 114.28 107.32 1a57 n THR 61 Ca -0.12 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1a57 n THR 61 Cb 0.72 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1a57 n THR 61 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1a57 n GLU 62 N -0.22 -0.88 -1.55 -0.78 4.07 -1.22 -4.12 120.64 115.94 1a57 n GLU 62 Ca 0.00 0.58 -0.28 0.00 -0.06 0.00 0.00 57.16 57.41 1a57 n GLU 62 Cb 0.00 -4.45 -0.06 0.00 -0.06 0.00 0.00 31.44 26.88 1a57 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1a57 n LEU 63 N -0.64 1.94 -4.59 4.31 4.32 -1.14 -4.42 117.00 116.78 1a57 n LEU 63 Ca -0.06 -0.84 -0.43 0.00 -0.02 0.00 0.00 56.01 54.67 1a57 n LEU 63 Cb 0.31 -1.56 -0.04 0.00 -1.62 0.00 0.00 43.42 40.51 1a57 n LEU 63 CO 0.09 -1.92 0.67 -0.89 -1.22 0.00 0.00 177.39 174.11 1a57 s THR 64 N 12.73 4.63 0.00 -5.08 2.01 -1.16 -3.71 115.64 125.07 1a57 s THR 64 Ca 0.99 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.92 1a57 s THR 64 Cb -0.23 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 67.99 1a57 s THR 64 CO 0.22 -0.56 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 1a57 n GLY 65 N 4.58 4.79 3.65 4.40 0.00 -0.98 -3.65 105.19 117.99 1a57 n GLY 65 Ca 0.05 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.93 1a57 n GLY 65 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a57 s THR 66 N -0.57 0.00 -0.06 2.61 -1.32 -1.18 -0.26 115.64 114.85 1a57 s THR 66 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1a57 s THR 66 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1a57 s THR 66 CO 0.00 0.00 0.10 0.26 -2.21 0.00 0.00 174.62 172.77 1a57 s TRP 67 N 0.41 -0.04 -0.46 9.09 0.52 -1.25 -3.39 118.94 123.82 1a57 s TRP 67 Ca 0.01 0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.56 1a57 s TRP 67 Cb -0.04 -0.39 0.53 0.00 -1.15 0.00 0.00 33.47 32.41 1a57 s TRP 67 CO -0.14 -0.24 1.73 0.25 0.02 0.00 0.00 176.95 178.58 1a57 n THR 68 N 5.31 3.07 0.00 2.01 -2.24 -1.26 -0.33 114.28 120.85 1a57 n THR 68 Ca -0.04 -2.82 0.00 0.00 -2.27 0.00 0.00 64.05 58.92 1a57 n THR 68 Cb 0.50 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1a57 n THR 68 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a57 n MET 69 N -1.00 0.00 -3.00 -0.78 1.56 -1.26 -4.75 117.12 107.88 1a57 n MET 69 Ca 0.52 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 57.50 1a57 n MET 69 Cb 1.08 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 36.42 1a57 n MET 69 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1a57 s GLU 70 N 0.00 3.36 7.08 2.12 2.56 -1.24 -4.86 118.70 127.73 1a57 s GLU 70 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 54.97 53.43 1a57 s GLU 70 Cb 0.00 -4.56 0.00 0.00 2.00 0.00 0.00 34.13 31.57 1a57 s GLU 70 CO 0.00 -1.67 0.00 0.41 -0.56 0.00 0.00 175.26 173.44 1a57 n GLY 71 N 5.23 2.68 2.43 -1.50 0.00 -1.26 -2.64 105.19 110.13 1a57 n GLY 71 Ca 0.09 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1a57 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 72 N 4.75 8.15 -3.83 1.61 5.03 -1.26 -4.88 115.26 124.82 1a57 n ASN 72 Ca 0.00 -2.88 -0.09 0.00 0.87 0.00 0.00 54.58 52.47 1a57 n ASN 72 Cb 0.00 -1.46 -0.07 0.00 -1.02 0.00 0.00 39.78 37.23 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1a57 s LYS 73 N 0.48 0.83 -0.38 3.52 3.01 -1.08 -4.08 119.74 122.05 1a57 s LYS 73 Ca 0.60 -0.86 0.12 0.00 -1.01 0.00 0.00 55.97 54.82 1a57 s LYS 73 Cb 0.18 0.34 0.35 0.00 -1.01 0.00 0.00 37.83 37.69 1a57 s LYS 73 CO -0.08 -0.27 0.78 1.28 0.51 0.00 0.00 175.35 177.57 1a57 n LEU 74 N 0.09 0.55 -4.44 3.17 4.77 0.49 -3.71 117.00 117.91 1a57 n LEU 74 Ca -0.16 -4.84 -0.43 0.00 -0.03 0.00 0.00 56.01 50.55 1a57 n LEU 74 Cb 0.62 0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 42.39 1a57 n LEU 74 CO 0.22 2.24 0.62 -0.69 -1.33 0.00 0.00 177.39 178.45 1a57 s VAL 75 N -2.19 4.52 0.00 4.08 1.01 -1.26 -2.78 120.40 123.77 1a57 s VAL 75 Ca 0.38 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1a57 s VAL 75 Cb 0.35 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1a57 s VAL 75 CO -0.07 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.40 1a57 n GLY 76 N 5.26 2.53 3.61 4.51 0.00 -1.26 -4.23 105.19 115.61 1a57 n GLY 76 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 1a57 n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a57 s LYS 77 N 3.50 0.24 0.16 1.61 2.20 -1.22 -4.60 119.74 121.63 1a57 s LYS 77 Ca 0.00 -0.12 -0.06 0.00 -0.36 0.00 0.00 55.97 55.44 1a57 s LYS 77 Cb 0.00 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1a57 s LYS 77 CO 0.00 -0.11 0.20 -0.06 -0.36 0.00 0.00 175.35 175.02 1a57 s PHE 78 N -2.29 0.64 -0.21 4.03 0.08 -1.26 -3.11 117.98 115.86 1a57 s PHE 78 Ca 0.12 -0.99 -0.31 0.00 0.12 0.00 0.00 56.93 55.88 1a57 s PHE 78 Cb 0.03 -0.24 0.16 0.00 -0.57 0.00 0.00 43.02 42.39 1a57 s PHE 78 CO -0.04 -0.66 1.19 0.21 -0.10 0.00 0.00 175.22 175.82 1a57 s LYS 79 N -4.02 0.32 -1.03 0.44 2.20 -1.24 0.26 119.74 116.67 1a57 s LYS 79 Ca 0.22 0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 1a57 s LYS 79 Cb 0.05 0.15 0.26 0.00 -1.51 0.00 0.00 37.83 36.78 1a57 s LYS 79 CO 0.02 -0.11 1.05 2.89 -0.36 0.00 0.00 175.35 178.85 1a57 n ARG 80 N 0.44 3.35 -0.04 4.03 1.85 -1.26 -2.88 116.66 122.16 1a57 n ARG 80 Ca -0.04 -4.49 0.04 0.00 -1.00 0.00 0.00 57.85 52.36 1a57 n ARG 80 Cb 0.58 -2.49 0.06 0.00 -1.05 0.00 0.00 32.46 29.57 1a57 n ARG 80 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1a57 n VAL 81 N 2.30 -0.04 -0.32 8.89 0.24 -1.26 0.56 118.33 128.69 1a57 n VAL 81 Ca 0.24 0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.87 1a57 n VAL 81 Cb 0.38 -0.35 0.25 0.00 -1.47 0.00 0.00 33.84 32.65 1a57 n VAL 81 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1a57 h ASP 82 N 0.00 -0.47 -0.01 -1.34 5.19 -1.90 0.12 116.42 118.00 1a57 h ASP 82 Ca 0.09 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1a57 h ASP 82 Cb 0.25 0.46 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1a57 h ASP 82 CO -0.08 -0.31 -0.01 0.59 -3.12 0.00 0.00 179.24 176.32 1a57 n ASN 83 N -5.46 1.76 -2.10 6.45 3.02 0.19 -4.92 115.26 114.20 1a57 n ASN 83 Ca 0.20 -1.38 -0.15 0.00 -0.03 0.00 0.00 54.58 53.22 1a57 n ASN 83 Cb 0.67 0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a57 n GLY 84 N 0.56 -0.16 0.00 7.41 0.00 0.03 -4.95 105.19 108.08 1a57 n GLY 84 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1a57 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a57 n LYS 85 N -2.95 0.00 0.00 1.61 3.00 -1.25 -5.00 118.16 113.57 1a57 n LYS 85 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1a57 n LYS 85 Cb 0.59 -0.52 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1a57 n GLU 86 N -0.17 0.00 -2.71 1.64 1.02 -1.26 -4.34 120.64 114.82 1a57 n GLU 86 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1a57 n GLU 86 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 1a57 n GLU 86 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1a57 n LEU 87 N 0.00 -0.74 -4.60 -4.62 0.00 0.14 -4.12 117.00 103.05 1a57 n LEU 87 Ca 0.00 -3.25 -0.29 0.00 0.00 0.00 0.00 56.01 52.47 1a57 n LEU 87 Cb 0.00 0.18 0.21 0.00 0.00 0.00 0.00 43.42 43.81 1a57 n LEU 87 CO 0.00 1.60 0.60 -0.63 0.00 0.00 0.00 177.39 178.96 1a57 s ILE 88 N -0.87 1.91 -0.44 1.96 1.01 -0.18 -4.03 121.20 120.56 1a57 s ILE 88 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.88 1a57 s ILE 88 Cb 0.42 -2.39 0.22 0.00 0.01 0.00 0.00 42.46 40.72 1a57 s ILE 88 CO -0.09 0.00 0.61 0.00 0.00 0.00 0.00 174.94 175.46 1a57 n ALA 89 N -4.52 0.77 -1.88 9.38 0.00 -1.26 -1.28 120.51 121.72 1a57 n ALA 89 Ca 0.06 -2.40 -0.42 0.00 0.00 0.00 0.00 53.44 50.68 1a57 n ALA 89 Cb 0.57 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1a57 n ALA 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a57 s VAL 90 N -0.06 2.86 -0.08 0.00 1.01 -1.26 -4.64 120.40 118.24 1a57 s VAL 90 Ca 0.33 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1a57 s VAL 90 Cb 0.13 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.37 1a57 s VAL 90 CO -0.16 0.00 0.90 -0.60 0.00 0.00 0.00 175.10 175.24 1a57 s ARG 91 N 2.48 0.77 -0.20 2.72 6.06 -1.12 -3.45 118.95 126.21 1a57 s ARG 91 Ca 0.75 -0.02 -0.04 0.00 -2.50 0.00 0.00 55.73 53.92 1a57 s ARG 91 Cb -0.42 0.36 0.10 0.00 0.06 0.00 0.00 34.95 35.05 1a57 s ARG 91 CO 0.33 -0.28 0.32 -1.21 -2.50 0.00 0.00 175.30 171.96 1a57 s GLU 92 N -1.92 0.26 -0.40 5.12 2.02 -1.26 0.18 118.70 122.70 1a57 s GLU 92 Ca -0.01 0.58 -0.40 0.00 0.02 0.00 0.00 54.97 55.16 1a57 s GLU 92 Cb -0.01 -0.44 -0.16 0.00 0.10 0.00 0.00 34.13 33.63 1a57 s GLU 92 CO -0.01 -0.51 2.03 1.51 0.02 0.00 0.00 175.26 178.29 1a57 n ILE 93 N 5.36 0.13 0.00 -1.63 0.13 -1.26 -4.79 119.36 117.29 1a57 n ILE 93 Ca -0.05 -0.10 0.00 0.00 -1.10 0.00 0.00 62.75 61.49 1a57 n ILE 93 Cb 0.50 -1.05 0.00 0.00 -0.84 0.00 0.00 39.64 38.25 1a57 n ILE 93 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1a57 n SER 94 N 7.57 0.00 -3.64 9.51 3.41 -1.04 -4.84 113.62 124.60 1a57 n SER 94 Ca 0.42 0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.75 1a57 n SER 94 Cb 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 1a57 n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a57 s GLY 95 N -0.02 0.78 -1.32 5.00 0.00 -1.26 -4.77 107.32 105.73 1a57 s GLY 95 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1a57 s GLY 95 CO 0.00 1.83 0.00 0.70 0.00 0.00 0.00 173.10 175.63 1a57 n ASN 96 N 5.05 -3.64 -3.64 1.64 4.13 -1.26 -4.85 115.26 112.69 1a57 n ASN 96 Ca -0.04 0.28 -0.05 0.00 1.68 0.00 0.00 54.58 56.45 1a57 n ASN 96 Cb 0.42 -3.31 -0.07 0.00 -1.54 0.00 0.00 39.78 35.29 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1a57 s GLU 97 N -3.64 0.43 -0.04 3.52 -1.05 -1.26 -4.37 118.70 112.29 1a57 s GLU 97 Ca 0.00 0.64 -0.08 0.00 -0.15 0.00 0.00 54.97 55.37 1a57 s GLU 97 Cb 0.00 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 1a57 s GLU 97 CO 0.00 -0.07 0.25 -1.17 0.95 0.00 0.00 175.26 175.21 1a57 s LEU 98 N 0.89 4.40 0.00 1.83 0.20 -1.26 -2.50 118.68 122.24 1a57 s LEU 98 Ca -0.04 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.38 1a57 s LEU 98 Cb -0.04 -2.44 0.00 0.00 -0.43 0.00 0.00 46.19 43.28 1a57 s LEU 98 CO -0.12 0.32 0.00 -0.38 -0.29 0.00 0.00 176.35 175.89 1a57 n ILE 99 N 1.55 0.00 -0.39 6.68 5.41 -1.26 -3.23 119.36 128.12 1a57 n ILE 99 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1a57 n ILE 99 Cb 0.53 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 1a57 n ILE 99 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1a57 n GLN 100 N -0.34 0.00 0.09 0.38 7.27 -1.26 -4.30 117.38 119.22 1a57 n GLN 100 Ca 0.00 0.18 -0.20 0.00 0.07 0.00 0.00 57.00 57.04 1a57 n GLN 100 Cb 0.00 -0.22 -0.12 0.00 2.41 0.00 0.00 30.24 32.32 1a57 n GLN 100 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1a57 h THR 101 N 0.00 1.32 -5.29 1.69 1.35 -1.79 -3.40 112.91 106.79 1a57 h THR 101 Ca 0.00 -2.53 -0.28 0.00 -0.55 0.00 0.00 66.41 63.05 1a57 h THR 101 Cb 0.00 2.68 0.16 0.00 -1.73 0.00 0.00 68.15 69.26 1a57 h THR 101 CO 0.00 0.76 -0.73 -1.22 -0.25 0.00 0.00 175.52 174.09 1a57 n TYR 102 N -3.75 -2.07 -1.63 4.73 4.01 -1.25 -0.33 117.16 116.87 1a57 n TYR 102 Ca -0.12 0.83 -0.51 0.00 -0.16 0.00 0.00 57.90 57.94 1a57 n TYR 102 Cb 0.97 -4.56 -0.06 0.00 -0.31 0.00 0.00 39.34 35.38 1a57 n TYR 102 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1a57 n THR 103 N -3.61 0.41 -3.80 -0.72 -1.04 -0.41 -4.05 114.28 101.06 1a57 n THR 103 Ca -0.20 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.05 61.54 1a57 n THR 103 Cb 0.64 -1.68 -0.13 0.00 -1.82 0.00 0.00 70.33 67.34 1a57 n THR 103 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1a57 s TYR 104 N 4.93 -0.19 -0.84 -1.42 6.14 -1.26 -1.01 117.35 123.69 1a57 s TYR 104 Ca 0.99 0.47 -0.11 0.00 0.64 0.00 0.00 57.07 59.06 1a57 s TYR 104 Cb -0.82 0.04 0.11 0.00 0.42 0.00 0.00 41.96 41.71 1a57 s TYR 104 CO 0.54 -0.11 0.27 0.39 0.64 0.00 0.00 175.55 177.28 1a57 n GLU 105 N 3.23 -1.72 -1.14 4.97 1.02 -1.26 -0.05 120.64 125.70 1a57 n GLU 105 Ca -0.15 0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 1a57 n GLU 105 Cb 0.58 -4.02 -0.02 0.00 -0.02 0.00 0.00 31.44 27.96 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a57 n GLY 106 N -0.72 0.75 0.00 0.62 0.00 -1.26 -4.89 105.19 99.69 1a57 n GLY 106 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1a57 n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a57 n VAL 107 N -2.85 0.00 -1.00 1.61 0.31 0.93 -5.15 118.33 112.18 1a57 n VAL 107 Ca -0.05 -0.01 0.13 0.00 -0.01 0.00 0.00 64.34 64.40 1a57 n VAL 107 Cb 0.16 0.30 -0.04 0.00 -0.91 0.00 0.00 33.84 33.36 1a57 n VAL 107 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a57 n GLU 108 N -0.83 -2.12 -2.70 5.55 1.02 -1.14 -4.92 120.64 115.50 1a57 n GLU 108 Ca 0.00 1.53 -0.03 0.00 -0.02 0.00 0.00 57.16 58.64 1a57 n GLU 108 Cb 0.00 -2.54 0.03 0.00 -0.02 0.00 0.00 31.44 28.90 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a57 s ALA 109 N -2.56 -4.30 -0.26 0.62 0.00 0.55 -4.68 121.76 111.12 1a57 s ALA 109 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 1a57 s ALA 109 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1a57 s ALA 109 CO 0.00 -2.50 0.38 0.15 0.00 0.00 0.00 175.76 173.78 1a57 s LYS 110 N 1.11 4.04 -0.11 0.00 1.02 -1.25 -4.38 119.74 120.17 1a57 s LYS 110 Ca 0.23 0.07 0.06 0.00 0.02 0.00 0.00 55.97 56.35 1a57 s LYS 110 Cb 0.11 -3.64 -0.24 0.00 -0.52 0.00 0.00 37.83 33.54 1a57 s LYS 110 CO -0.11 -0.24 0.38 0.54 -0.92 0.00 0.00 175.35 175.01 1a57 n ARG 111 N 5.19 0.68 -0.46 1.68 5.12 -1.26 -5.07 116.66 122.54 1a57 n ARG 111 Ca -0.08 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1a57 n ARG 111 Cb 0.51 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1a57 n ARG 111 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1a57 n ILE 112 N -3.15 -1.65 -1.27 0.55 0.00 -1.26 -5.13 119.36 107.44 1a57 n ILE 112 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.48 1a57 n ILE 112 Cb 1.06 -1.75 0.00 0.00 0.00 0.00 0.00 39.64 38.95 1a57 n ILE 112 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1a57 n PHE 113 N 0.53 0.00 -0.80 9.51 3.72 -1.25 -5.06 117.46 124.11 1a57 n PHE 113 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1a57 n PHE 113 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1a57 n PHE 113 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1a57 n LYS 114 N 0.00 0.00 0.08 -1.08 -0.00 -1.20 -4.62 118.16 111.34 1a57 n LYS 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a57 n LYS 114 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1a57 n LYS 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1a57 n LYS 115 N 0.00 0.00 0.00 -1.58 4.81 -1.26 -3.67 118.16 116.46 1a57 n LYS 115 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a57 n LYS 115 Cb 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 35.03 34.78 1a57 n LYS 115 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96