#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 -2.00 -2.99 0.00 3.72 -1.26 -4.93 117.46 110.00 1a57 n PHE 2 Ca 0.00 0.84 -0.15 0.00 -0.05 0.00 0.00 57.45 58.09 1a57 n PHE 2 Cb 0.00 -4.68 0.01 0.00 -0.94 0.00 0.00 39.48 33.87 1a57 n PHE 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1a57 n ASP 3 N -2.93 -0.76 0.00 4.37 -0.08 -0.73 -3.21 116.55 113.21 1a57 n ASP 3 Ca -0.24 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 49.82 1a57 n ASP 3 Cb 0.65 0.51 0.00 0.00 2.34 0.00 0.00 41.12 44.62 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a57 n GLY 4 N 0.64 1.12 3.75 0.27 0.00 0.06 -4.98 105.19 106.06 1a57 n GLY 4 Ca 0.16 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1a57 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 5 N -1.56 2.27 -0.03 2.61 -4.23 -1.26 -2.81 115.64 110.63 1a57 s THR 5 Ca 0.00 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.51 1a57 s THR 5 Cb 0.00 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1a57 s THR 5 CO 0.00 -0.11 0.19 0.26 -0.54 0.00 0.00 174.62 174.41 1a57 s TRP 6 N -3.13 -0.08 0.30 3.99 0.52 0.15 -4.42 118.94 116.27 1a57 s TRP 6 Ca 0.64 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.91 1a57 s TRP 6 Cb -0.16 0.02 0.00 0.00 -1.15 0.00 0.00 33.47 32.17 1a57 s TRP 6 CO 0.55 -0.25 0.00 1.63 0.02 0.00 0.00 176.95 178.91 1a57 n LYS 7 N 1.92 -2.58 -0.63 4.98 5.02 -1.25 -0.68 118.16 124.94 1a57 n LYS 7 Ca -0.19 1.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.80 1a57 n LYS 7 Cb 0.57 -3.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 1a57 n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a57 n VAL 8 N -3.93 0.00 -2.70 -0.18 0.31 -1.26 -4.67 118.33 105.90 1a57 n VAL 8 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 1a57 n VAL 8 Cb 0.58 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.54 1a57 n VAL 8 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1a57 s ASP 9 N -0.84 -0.40 -0.84 4.52 -4.77 -1.26 -5.01 116.67 108.07 1a57 s ASP 9 Ca 0.00 -0.43 -0.19 0.00 -3.30 0.00 0.00 52.55 48.63 1a57 s ASP 9 Cb 0.00 0.52 0.13 0.00 -1.09 0.00 0.00 42.92 42.48 1a57 s ASP 9 CO 0.00 -0.02 1.02 -0.13 0.70 0.00 0.00 175.17 176.74 1a57 s ARG 10 N 1.11 3.46 1.90 2.11 0.52 -1.26 -4.95 118.95 121.85 1a57 s ARG 10 Ca 0.23 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1a57 s ARG 10 Cb 0.10 -4.70 0.00 0.00 0.52 0.00 0.00 34.95 30.88 1a57 s ARG 10 CO -0.11 -1.71 0.00 0.09 0.02 0.00 0.00 175.30 173.59 1a57 n ASN 11 N 6.47 -2.08 0.01 0.23 3.02 -1.26 -2.72 115.26 118.93 1a57 n ASN 11 Ca 0.15 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1a57 n ASN 11 Cb 0.48 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.94 1a57 n ASN 11 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1a57 h GLU 12 N 0.00 0.49 -0.88 3.52 4.57 -2.06 -3.48 114.58 116.73 1a57 h GLU 12 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1a57 h GLU 12 Cb 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1a57 h GLU 12 CO 0.00 0.55 -0.21 -1.71 -1.18 0.00 0.00 179.01 176.46 1a57 n ASN 13 N -4.26 -3.03 0.00 1.04 5.15 -1.10 -5.09 115.26 107.96 1a57 n ASN 13 Ca 0.01 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1a57 n ASN 13 Cb 0.27 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1a57 n ASN 13 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1a57 n TYR 14 N -0.78 0.00 -0.62 1.20 4.01 -1.26 -5.13 117.16 114.58 1a57 n TYR 14 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1a57 n TYR 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1a57 n TYR 14 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a57 n SER 15 N 0.00 0.00 0.00 7.72 2.88 -1.26 -4.65 113.62 118.31 1a57 n SER 15 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a57 n SER 15 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 5.00 2.76 2.02 0.46 0.00 -1.26 -4.80 105.19 109.36 1a57 n GLY 16 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -3.12 -3.32 4.61 0.00 -1.26 -5.06 120.51 112.36 1a57 n ALA 17 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 1a57 n ALA 17 Cb 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 19.45 18.37 1a57 n ALA 17 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1a57 s HIS 18 N -1.11 1.34 0.00 0.00 3.76 -1.26 -4.91 115.29 113.11 1a57 s HIS 18 Ca 0.05 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1a57 s HIS 18 Cb -0.01 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.70 1a57 s HIS 18 CO 0.32 -0.22 0.00 -0.40 -0.85 0.00 0.00 174.74 173.59 1a57 n ASP 19 N 3.64 0.00 -4.32 1.40 5.68 -1.26 -4.81 116.55 116.88 1a57 n ASP 19 Ca -0.22 0.00 -0.46 0.00 -0.50 0.00 0.00 54.79 53.61 1a57 n ASP 19 Cb 0.52 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 1a57 n ASP 19 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1a57 s ASN 20 N -3.99 6.34 0.95 -1.12 -0.87 -1.26 -5.03 114.94 109.96 1a57 s ASN 20 Ca 0.00 -2.03 -0.05 0.00 -1.57 0.00 0.00 52.86 49.21 1a57 s ASN 20 Cb 0.00 -2.21 0.07 0.00 -0.02 0.00 0.00 41.25 39.09 1a57 s ASN 20 CO 0.00 -0.78 0.43 0.18 -2.57 0.00 0.00 177.10 174.36 1a57 n LEU 21 N 4.91 0.00 0.00 0.60 4.77 -1.26 -4.68 117.00 121.34 1a57 n LEU 21 Ca -0.07 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1a57 n LEU 21 Cb 0.42 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1a57 n LEU 21 CO 0.48 -0.80 0.00 2.29 -1.33 0.00 0.00 177.39 178.03 1a57 n LYS 22 N -1.90 0.00 -4.03 3.23 2.85 -1.26 -4.75 118.16 112.29 1a57 n LYS 22 Ca 0.06 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.09 1a57 n LYS 22 Cb 0.19 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.51 1a57 n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1a57 s LEU 23 N 0.00 3.30 0.00 -5.58 1.43 0.14 -3.20 118.68 114.77 1a57 s LEU 23 Ca 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1a57 s LEU 23 Cb 0.00 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1a57 s LEU 23 CO 0.00 -0.35 0.00 0.41 0.23 0.00 0.00 176.35 176.64 1a57 n THR 24 N -1.21 0.00 -4.33 5.49 -1.04 -1.26 0.30 114.28 112.24 1a57 n THR 24 Ca -0.02 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.81 1a57 n THR 24 Cb 0.61 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.98 1a57 n THR 24 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a57 s ILE 25 N 0.00 0.68 -0.50 12.58 1.09 -1.12 -1.65 121.20 132.28 1a57 s ILE 25 Ca 0.00 -0.42 0.07 0.00 -1.10 0.00 0.00 60.65 59.20 1a57 s ILE 25 Cb 0.00 -0.58 0.19 0.00 -1.06 0.00 0.00 42.46 41.00 1a57 s ILE 25 CO 0.00 0.16 0.70 -0.89 -0.10 0.00 0.00 174.94 174.81 1a57 s THR 26 N -0.28 -0.95 0.63 2.92 2.01 -1.23 -0.76 115.64 117.98 1a57 s THR 26 Ca 0.03 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.90 1a57 s THR 26 Cb -0.04 -0.05 -0.07 0.00 0.01 0.00 0.00 72.50 72.35 1a57 s THR 26 CO -0.00 -0.05 0.48 0.00 -0.69 0.00 0.00 174.62 174.36 1a57 n GLN 27 N 3.10 0.42 -2.83 4.92 -0.00 -1.20 -4.72 117.38 117.07 1a57 n GLN 27 Ca 0.18 0.17 -0.11 0.00 -0.00 0.00 0.00 57.00 57.24 1a57 n GLN 27 Cb 0.56 -1.70 0.05 0.00 -0.00 0.00 0.00 30.24 29.15 1a57 n GLN 27 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1a57 n GLU 28 N -0.16 1.07 -1.44 2.61 0.28 -0.74 -4.93 120.64 117.33 1a57 n GLU 28 Ca 0.11 -2.52 0.00 0.00 -0.16 0.00 0.00 57.16 54.59 1a57 n GLU 28 Cb 0.48 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.33 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a57 n GLY 29 N 0.06 -2.17 3.89 -1.84 0.00 -1.26 -4.43 105.19 99.43 1a57 n GLY 29 Ca 0.10 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1a57 n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 30 N -0.13 -1.15 -3.25 1.61 0.23 -1.26 -4.88 115.26 106.43 1a57 n ASN 30 Ca 0.00 -0.92 -0.09 0.00 -0.53 0.00 0.00 54.58 53.04 1a57 n ASN 30 Cb 0.00 -1.12 -0.04 0.00 -2.08 0.00 0.00 39.78 36.54 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 -6.45 0.76 -0.08 -3.83 2.47 -1.26 -3.45 119.74 107.90 1a57 s LYS 31 Ca 0.18 -0.70 0.04 0.00 -1.56 0.00 0.00 55.97 53.93 1a57 s LYS 31 Cb -0.10 -0.37 0.00 0.00 -1.46 0.00 0.00 37.83 35.90 1a57 s LYS 31 CO 0.70 -1.21 -0.22 -0.59 0.16 0.00 0.00 175.35 174.19 1a57 s PHE 32 N 1.48 2.30 0.20 4.03 -0.12 -1.25 -1.79 117.98 122.85 1a57 s PHE 32 Ca 0.18 -0.88 0.08 0.00 -0.05 0.00 0.00 56.93 56.27 1a57 s PHE 32 Cb -0.09 -1.55 -0.04 0.00 -0.63 0.00 0.00 43.02 40.71 1a57 s PHE 32 CO -0.05 -0.35 -0.01 -0.08 -0.05 0.00 0.00 175.22 174.68 1a57 s THR 33 N 0.29 3.59 0.02 -4.49 -1.32 -1.26 -4.29 115.64 108.18 1a57 s THR 33 Ca -0.15 -1.60 0.06 0.00 -1.21 0.00 0.00 61.69 58.79 1a57 s THR 33 Cb -0.17 -2.84 -0.02 0.00 -1.51 0.00 0.00 72.50 67.97 1a57 s THR 33 CO 0.07 -0.20 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.42 1a57 s VAL 34 N -1.91 1.33 -1.19 5.08 1.01 -1.11 -3.85 120.40 119.76 1a57 s VAL 34 Ca 0.28 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1a57 s VAL 34 Cb -0.08 -1.15 0.21 0.00 0.00 0.00 0.00 36.38 35.36 1a57 s VAL 34 CO 0.19 0.21 1.43 1.17 0.00 0.00 0.00 175.10 178.09 1a57 n LYS 35 N 2.21 3.55 -1.82 2.72 4.81 -0.66 -2.81 118.16 126.15 1a57 n LYS 35 Ca -0.16 -4.01 -0.40 0.00 -0.87 0.00 0.00 58.31 52.86 1a57 n LYS 35 Cb 0.54 -2.85 -0.01 0.00 0.02 0.00 0.00 35.03 32.73 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 4.24 4.09 -2.36 1.64 2.13 -1.25 -3.84 120.64 125.30 1a57 n GLU 36 Ca 0.33 -3.05 -0.43 0.00 0.66 0.00 0.00 57.16 54.68 1a57 n GLU 36 Cb 0.40 -2.77 -0.02 0.00 0.27 0.00 0.00 31.44 29.32 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 1.15 6.86 0.00 4.31 0.15 -1.19 -4.60 113.70 120.38 1a57 s SER 37 Ca 0.56 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.93 1a57 s SER 37 Cb 0.17 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1a57 s SER 37 CO -0.07 -0.83 0.00 -1.20 1.20 0.00 0.00 173.24 172.34 1a57 n SER 38 N 6.84 0.00 -2.16 5.45 7.64 -1.13 -4.28 113.62 125.98 1a57 n SER 38 Ca 0.15 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.75 1a57 n SER 38 Cb 0.45 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.73 1a57 n SER 38 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1a57 n ASN 39 N 0.00 6.76 -2.79 6.43 2.85 -1.26 -3.97 115.26 123.28 1a57 n ASN 39 Ca 0.00 -3.51 -0.10 0.00 -0.11 0.00 0.00 54.58 50.86 1a57 n ASN 39 Cb 0.00 -0.97 0.07 0.00 1.24 0.00 0.00 39.78 40.11 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1a57 n PHE 40 N -0.55 -1.39 -4.59 1.20 3.72 -1.26 -5.13 117.46 109.47 1a57 n PHE 40 Ca 0.52 -2.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.42 1a57 n PHE 40 Cb 0.76 0.86 0.00 0.00 -0.94 0.00 0.00 39.48 40.15 1a57 n PHE 40 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1a57 n ARG 41 N -0.06 0.00 0.01 -1.08 3.00 -1.25 -4.36 116.66 112.92 1a57 n ARG 41 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.90 1a57 n ARG 41 Cb 0.77 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.22 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 -0.04 -4.12 0.55 4.21 -1.90 -2.99 115.58 111.29 1a57 h ASN 42 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1a57 h ASN 42 Cb 0.00 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1a57 h ASN 42 CO 0.00 0.01 -0.64 0.00 -1.29 0.00 0.00 177.43 175.50 1a57 n ILE 43 N -2.31 -4.13 -4.44 2.81 0.13 -1.26 -3.20 119.36 106.96 1a57 n ILE 43 Ca -0.01 1.74 -0.22 0.00 -1.10 0.00 0.00 62.75 63.17 1a57 n ILE 43 Cb 0.02 -2.50 -0.10 0.00 -0.84 0.00 0.00 39.64 36.21 1a57 n ILE 43 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1a57 s ASP 44 N -2.33 2.82 -0.31 9.51 -4.77 -1.26 -3.83 116.67 116.49 1a57 s ASP 44 Ca 0.00 -1.20 0.01 0.00 -3.30 0.00 0.00 52.55 48.06 1a57 s ASP 44 Cb 0.00 -0.18 0.10 0.00 -1.09 0.00 0.00 42.92 41.75 1a57 s ASP 44 CO 0.00 -0.35 0.06 -0.69 0.70 0.00 0.00 175.17 174.89 1a57 s VAL 45 N -3.00 1.46 0.18 2.11 1.01 -1.13 -4.99 120.40 116.04 1a57 s VAL 45 Ca 0.30 -1.72 0.08 0.00 0.00 0.00 0.00 61.98 60.63 1a57 s VAL 45 Cb 0.04 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1a57 s VAL 45 CO 0.12 -0.58 -0.02 0.54 0.00 0.00 0.00 175.10 175.16 1a57 s VAL 46 N 1.33 3.63 -2.38 2.92 0.11 -1.26 -2.76 120.40 122.00 1a57 s VAL 46 Ca 0.09 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1a57 s VAL 46 Cb -0.18 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1a57 s VAL 46 CO -0.17 -0.12 0.00 2.22 -3.33 0.00 0.00 175.10 173.71 1a57 n PHE 47 N -0.12 0.00 -3.77 1.54 1.16 -1.26 -5.07 117.46 109.94 1a57 n PHE 47 Ca -0.10 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.16 1a57 n PHE 47 Cb 0.55 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.33 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1a57 s GLU 48 N -1.22 2.82 3.13 3.97 2.02 -1.26 -3.74 118.70 124.42 1a57 s GLU 48 Ca 0.00 -3.24 0.00 0.00 0.02 0.00 0.00 54.97 51.75 1a57 s GLU 48 Cb 0.00 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.55 1a57 s GLU 48 CO 0.00 -1.26 0.00 -0.11 0.02 0.00 0.00 175.26 173.91 1a57 n LEU 49 N 2.27 0.00 -4.22 1.80 0.00 -1.22 -3.32 117.00 112.31 1a57 n LEU 49 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.84 1a57 n LEU 49 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.73 1a57 n LEU 49 CO 0.32 0.00 1.83 0.61 0.00 0.00 0.00 177.39 180.15 1a57 n GLY 50 N 0.00 1.91 2.76 -3.96 0.00 -1.19 -4.29 105.19 100.43 1a57 n GLY 50 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 7.79 1.18 0.66 1.61 1.01 -1.21 -5.06 120.40 126.39 1a57 s VAL 51 Ca 0.62 -1.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1a57 s VAL 51 Cb 0.06 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1a57 s VAL 51 CO 0.11 -0.73 1.07 1.51 0.00 0.00 0.00 175.10 177.06 1a57 s ASP 52 N 1.19 5.44 0.00 3.32 -4.77 -1.26 -4.61 116.67 115.97 1a57 s ASP 52 Ca 0.12 1.75 0.00 0.00 -3.30 0.00 0.00 52.55 51.12 1a57 s ASP 52 Cb -0.19 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1a57 s ASP 52 CO -0.16 -1.40 0.00 2.22 0.70 0.00 0.00 175.17 176.53 1a57 n PHE 53 N -2.65 0.00 -3.50 2.11 1.16 -0.63 -5.01 117.46 108.94 1a57 n PHE 53 Ca 0.08 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.24 1a57 n PHE 53 Cb 0.53 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.33 1a57 n PHE 53 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1a57 s ALA 54 N -2.00 3.59 -0.11 1.98 0.00 -1.26 -1.69 121.76 122.27 1a57 s ALA 54 Ca 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 51.96 49.21 1a57 s ALA 54 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1a57 s ALA 54 CO 0.00 -2.02 -0.21 -0.47 0.00 0.00 0.00 175.76 173.06 1a57 s TYR 55 N 0.97 2.41 0.99 0.00 5.04 -0.72 -4.96 117.35 121.09 1a57 s TYR 55 Ca 0.09 -1.06 -0.12 0.00 -2.44 0.00 0.00 57.07 53.54 1a57 s TYR 55 Cb -0.23 -1.64 0.18 0.00 0.35 0.00 0.00 41.96 40.62 1a57 s TYR 55 CO -0.02 -0.46 1.09 0.45 -1.34 0.00 0.00 175.55 175.27 1a57 s SER 56 N 0.55 2.66 0.00 4.32 0.15 -1.26 -3.05 113.70 117.07 1a57 s SER 56 Ca -0.14 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1a57 s SER 56 Cb -0.17 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1a57 s SER 56 CO 0.05 -3.13 0.00 -0.11 1.20 0.00 0.00 173.24 171.25 1a57 n LEU 57 N -4.18 0.00 -2.35 3.45 0.00 -1.26 -4.88 117.00 107.77 1a57 n LEU 57 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.85 1a57 n LEU 57 Cb 0.56 0.01 0.01 0.00 0.00 0.00 0.00 43.42 44.00 1a57 n LEU 57 CO 0.57 -0.09 0.14 0.00 0.00 0.00 0.00 177.39 178.00 1a57 n ALA 58 N -1.68 4.68 -2.26 1.96 0.00 -1.26 -4.95 120.51 117.00 1a57 n ALA 58 Ca 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 53.44 49.53 1a57 n ALA 58 Cb 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 18.92 1a57 n ALA 58 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a57 n ASP 59 N -0.54 -1.51 0.00 0.00 5.68 -1.26 -4.35 116.55 114.58 1a57 n ASP 59 Ca 0.35 0.37 0.00 0.00 -0.50 0.00 0.00 54.79 55.02 1a57 n ASP 59 Cb 0.80 -1.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a57 n GLY 60 N -0.48 0.00 3.33 6.12 0.00 -1.26 -5.16 105.19 107.74 1a57 n GLY 60 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1a57 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 61 N 0.00 0.16 -0.23 2.61 -4.23 -1.26 -5.04 115.64 107.65 1a57 s THR 61 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1a57 s THR 61 Cb 0.00 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.66 1a57 s THR 61 CO 0.00 0.00 1.32 1.21 -0.54 0.00 0.00 174.62 176.61 1a57 n GLU 62 N -0.65 0.94 -1.54 3.99 4.07 -1.26 -4.62 120.64 121.57 1a57 n GLU 62 Ca 0.03 -1.06 -0.37 0.00 -0.06 0.00 0.00 57.16 55.71 1a57 n GLU 62 Cb 0.63 0.42 -0.07 0.00 -0.06 0.00 0.00 31.44 32.37 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 -1.07 1.69 -4.29 4.31 4.32 -1.00 -4.56 117.00 116.41 1a57 n LEU 63 Ca -0.19 -0.35 -0.39 0.00 -0.02 0.00 0.00 56.01 55.06 1a57 n LEU 63 Cb 0.80 -1.39 -0.11 0.00 -1.62 0.00 0.00 43.42 41.09 1a57 n LEU 63 CO -0.14 -1.38 -0.19 -0.89 -1.22 0.00 0.00 177.39 173.57 1a57 s THR 64 N 11.31 4.07 0.00 -5.08 2.01 -1.18 -1.76 115.64 125.01 1a57 s THR 64 Ca 1.09 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1a57 s THR 64 Cb -0.48 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1a57 s THR 64 CO 0.32 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1a57 n GLY 65 N 4.88 2.60 2.97 4.40 0.00 -0.68 -3.73 105.19 115.63 1a57 n GLY 65 Ca -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.86 -0.73 -0.07 2.61 -1.32 -1.25 -1.61 115.64 110.42 1a57 s THR 66 Ca 0.00 -0.24 -0.28 0.00 -1.21 0.00 0.00 61.69 59.96 1a57 s THR 66 Cb 0.00 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1a57 s THR 66 CO 0.00 -0.22 0.91 0.26 -2.21 0.00 0.00 174.62 173.37 1a57 s TRP 67 N 2.55 3.57 -0.63 9.09 0.23 -1.26 -4.05 118.94 128.43 1a57 s TRP 67 Ca 0.10 1.52 0.06 0.00 -2.03 0.00 0.00 56.10 55.75 1a57 s TRP 67 Cb -0.12 -3.07 0.26 0.00 0.03 0.00 0.00 33.47 30.58 1a57 s TRP 67 CO -0.28 -0.09 0.76 0.25 0.96 0.00 0.00 176.95 178.56 1a57 n THR 68 N 4.19 2.39 -1.67 2.01 -2.24 0.17 -3.14 114.28 116.00 1a57 n THR 68 Ca 0.05 -5.24 -0.62 0.00 -2.27 0.00 0.00 64.05 55.97 1a57 n THR 68 Cb 0.50 -2.04 -0.09 0.00 -2.10 0.00 0.00 70.33 66.60 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 0.76 0.51 -2.92 -0.78 1.56 -1.26 -4.45 117.12 110.53 1a57 n MET 69 Ca 0.30 0.18 -0.27 0.00 -0.27 0.00 0.00 57.70 57.64 1a57 n MET 69 Cb 0.41 -1.79 -0.04 0.00 2.15 0.00 0.00 33.22 33.96 1a57 n MET 69 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1a57 n GLU 70 N 5.11 3.31 0.00 2.12 4.07 -1.25 -4.96 120.64 129.04 1a57 n GLU 70 Ca 0.32 -4.85 0.00 0.00 -0.06 0.00 0.00 57.16 52.57 1a57 n GLU 70 Cb 0.03 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 1a57 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a57 n GLY 71 N -0.25 2.29 0.63 8.31 0.00 -1.26 -3.22 105.19 111.68 1a57 n GLY 71 Ca 0.32 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1a57 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a57 n ASN 72 N 5.50 2.67 -2.45 1.61 4.05 -1.26 -4.95 115.26 120.43 1a57 n ASN 72 Ca 0.00 -3.37 -0.07 0.00 0.45 0.00 0.00 54.58 51.58 1a57 n ASN 72 Cb 0.00 -0.53 -0.02 0.00 1.23 0.00 0.00 39.78 40.47 1a57 n ASN 72 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1a57 n LYS 73 N -1.07 1.40 -2.35 1.20 4.76 -1.20 -0.98 118.16 119.92 1a57 n LYS 73 Ca 0.22 -0.89 -0.03 0.00 -2.87 0.00 0.00 58.31 54.74 1a57 n LYS 73 Cb 0.81 0.32 0.08 0.00 -1.84 0.00 0.00 35.03 34.40 1a57 n LYS 73 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1a57 n LEU 74 N 0.00 -1.09 -4.75 -0.35 4.77 0.54 -3.87 117.00 112.25 1a57 n LEU 74 Ca -0.04 -2.95 -0.41 0.00 -0.03 0.00 0.00 56.01 52.58 1a57 n LEU 74 Cb 0.16 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1a57 n LEU 74 CO 0.08 1.60 1.19 -0.69 -1.33 0.00 0.00 177.39 178.24 1a57 s VAL 75 N -0.21 2.25 -5.00 4.08 1.01 -1.26 -4.23 120.40 117.03 1a57 s VAL 75 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1a57 s VAL 75 Cb 0.35 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1a57 s VAL 75 CO -0.10 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1a57 n GLY 76 N 1.98 -0.53 3.39 4.51 0.00 -1.26 -0.65 105.19 112.63 1a57 n GLY 76 Ca 0.07 -1.16 0.02 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 0.17 0.06 1.61 2.20 -1.26 -4.69 119.74 115.83 1a57 s LYS 77 Ca 0.00 0.38 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 1a57 s LYS 77 Cb 0.00 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1a57 s LYS 77 CO 0.00 -0.05 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.67 1a57 s PHE 78 N 1.93 1.85 0.03 4.03 0.40 -1.26 -3.55 117.98 121.41 1a57 s PHE 78 Ca -0.03 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1a57 s PHE 78 Cb -0.03 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1a57 s PHE 78 CO -0.15 0.13 -0.04 0.21 0.70 0.00 0.00 175.22 176.07 1a57 s LYS 79 N -1.40 0.42 -0.75 0.44 2.20 -1.24 0.61 119.74 120.02 1a57 s LYS 79 Ca 0.08 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.94 1a57 s LYS 79 Cb -0.09 0.06 0.31 0.00 -1.51 0.00 0.00 37.83 36.60 1a57 s LYS 79 CO 0.03 -0.05 1.17 2.89 -0.36 0.00 0.00 175.35 179.03 1a57 n ARG 80 N 1.23 3.75 0.00 4.03 1.85 -1.26 -2.37 116.66 123.88 1a57 n ARG 80 Ca -0.21 -4.75 0.00 0.00 -1.00 0.00 0.00 57.85 51.88 1a57 n ARG 80 Cb 0.56 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.65 1a57 n ARG 80 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1a57 n VAL 81 N 0.17 0.00 0.45 8.89 0.31 -1.26 0.12 118.33 127.01 1a57 n VAL 81 Ca 0.34 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.71 1a57 n VAL 81 Cb 0.36 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.51 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1a57 n ASP 82 N -2.98 0.00 0.00 4.52 2.03 -1.26 -4.40 116.55 114.46 1a57 n ASP 82 Ca 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1a57 n ASP 82 Cb 0.00 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 1a57 n ASP 82 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1a57 n ASN 83 N -1.17 0.00 -0.01 1.67 5.15 0.33 -4.94 115.26 116.29 1a57 n ASN 83 Ca 0.05 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.94 1a57 n ASN 83 Cb 0.05 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.16 1a57 n ASN 83 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1a57 h GLY 84 N 0.00 0.02 -1.08 8.20 0.00 -1.01 -3.47 103.07 105.73 1a57 h GLY 84 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1a57 h GLY 84 CO 0.00 0.05 -0.14 0.58 0.00 0.00 0.00 176.54 177.03 1a57 n LYS 85 N -3.12 -1.45 0.00 4.80 2.85 -0.91 -4.73 118.16 115.61 1a57 n LYS 85 Ca -0.15 0.53 0.00 0.00 -1.05 0.00 0.00 58.31 57.64 1a57 n LYS 85 Cb 1.04 -4.55 0.00 0.00 -0.65 0.00 0.00 35.03 30.87 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1a57 n GLU 86 N -1.10 0.00 -2.87 -1.58 1.02 -1.26 -4.68 120.64 110.16 1a57 n GLU 86 Ca -0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 1a57 n GLU 86 Cb 0.33 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.80 1a57 n GLU 86 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a57 n LEU 87 N 0.00 -1.15 0.00 -4.62 4.32 0.20 -4.49 117.00 111.26 1a57 n LEU 87 Ca 0.00 -4.11 -0.23 0.00 -0.02 0.00 0.00 56.01 51.65 1a57 n LEU 87 Cb 0.00 0.79 0.20 0.00 -1.62 0.00 0.00 43.42 42.79 1a57 n LEU 87 CO 0.00 2.12 0.41 -0.38 -1.22 0.00 0.00 177.39 178.32 1a57 n ILE 88 N 0.25 0.00 -2.96 -0.08 5.41 -0.73 -4.34 119.36 116.92 1a57 n ILE 88 Ca 0.12 -0.27 -0.14 0.00 1.00 0.00 0.00 62.75 63.45 1a57 n ILE 88 Cb 0.70 -1.07 0.02 0.00 -0.71 0.00 0.00 39.64 38.58 1a57 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a57 n ALA 89 N -4.62 0.54 -1.98 -1.39 0.00 -1.26 -3.37 120.51 108.44 1a57 n ALA 89 Ca -0.16 -2.40 -0.43 0.00 0.00 0.00 0.00 53.44 50.46 1a57 n ALA 89 Cb 0.45 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.79 3.47 -0.15 0.00 1.01 -0.56 -4.60 120.40 118.78 1a57 s VAL 90 Ca 0.32 0.51 -0.32 0.00 0.00 0.00 0.00 61.98 62.48 1a57 s VAL 90 Cb 0.28 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1a57 s VAL 90 CO -0.10 -0.31 1.11 -0.60 0.00 0.00 0.00 175.10 175.20 1a57 s ARG 91 N 5.35 0.46 0.03 2.72 6.06 -1.26 -2.97 118.95 129.33 1a57 s ARG 91 Ca 0.80 -0.10 0.01 0.00 -2.50 0.00 0.00 55.73 53.94 1a57 s ARG 91 Cb -0.25 0.21 -0.02 0.00 0.06 0.00 0.00 34.95 34.95 1a57 s ARG 91 CO 0.33 -0.19 -0.06 -1.21 -2.50 0.00 0.00 175.30 171.67 1a57 s GLU 92 N -2.24 0.43 -0.68 5.12 2.02 -1.26 0.20 118.70 122.29 1a57 s GLU 92 Ca 0.06 -0.61 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 1a57 s GLU 92 Cb -0.01 -0.19 -0.13 0.00 0.10 0.00 0.00 34.13 33.90 1a57 s GLU 92 CO -0.05 0.03 2.44 -0.89 0.02 0.00 0.00 175.26 176.81 1a57 n ILE 93 N 1.78 -0.05 -0.37 -1.63 2.08 -0.15 -4.67 119.36 116.35 1a57 n ILE 93 Ca -0.21 -0.59 -0.06 0.00 0.56 0.00 0.00 62.75 62.46 1a57 n ILE 93 Cb 0.55 -2.05 -0.03 0.00 -0.75 0.00 0.00 39.64 37.37 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1a57 n SER 94 N 15.15 -0.80 0.00 4.38 2.88 0.48 -4.70 113.62 131.02 1a57 n SER 94 Ca 0.46 1.63 0.00 0.00 -1.33 0.00 0.00 58.87 59.63 1a57 n SER 94 Cb 0.41 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1a57 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a57 n GLY 95 N -1.33 0.39 2.02 0.46 0.00 -1.26 -4.91 105.19 100.55 1a57 n GLY 95 Ca 0.06 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.57 1a57 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 96 N 0.00 -3.07 0.00 1.61 4.13 -1.26 -4.94 115.26 111.73 1a57 n ASN 96 Ca 0.00 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1a57 n ASN 96 Cb 0.00 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1a57 n GLU 97 N -2.94 -0.24 -4.39 3.52 -0.00 -1.26 -4.57 120.64 110.75 1a57 n GLU 97 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.16 56.94 1a57 n GLU 97 Cb 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.35 1a57 n GLU 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1a57 s LEU 98 N 0.00 2.53 0.00 -1.84 2.96 -1.26 -0.38 118.68 120.69 1a57 s LEU 98 Ca 0.00 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 1a57 s LEU 98 Cb 0.00 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.79 1a57 s LEU 98 CO 0.00 -0.04 0.00 -0.38 -1.32 0.00 0.00 176.35 174.61 1a57 n ILE 99 N -0.26 0.00 0.00 6.68 5.41 -1.26 -3.72 119.36 126.21 1a57 n ILE 99 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1a57 n ILE 99 Cb 0.59 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1a57 n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a57 n GLN 100 N -0.12 0.00 -2.85 0.38 1.13 -1.26 -4.54 117.38 110.12 1a57 n GLN 100 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1a57 n GLN 100 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1a57 s THR 101 N 0.00 4.51 -0.27 5.09 2.01 -1.16 -2.52 115.64 123.30 1a57 s THR 101 Ca 0.00 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 1a57 s THR 101 Cb 0.00 -4.80 -0.02 0.00 0.01 0.00 0.00 72.50 67.69 1a57 s THR 101 CO 0.00 -1.56 1.61 -0.31 -0.69 0.00 0.00 174.62 173.66 1a57 s TYR 102 N 3.37 2.12 -0.33 4.92 2.02 0.14 -1.49 117.35 128.09 1a57 s TYR 102 Ca 0.32 0.60 -0.22 0.00 -0.37 0.00 0.00 57.07 57.40 1a57 s TYR 102 Cb -0.07 -4.04 0.00 0.00 -0.40 0.00 0.00 41.96 37.45 1a57 s TYR 102 CO -0.05 -2.74 0.71 0.99 -1.57 0.00 0.00 175.55 172.89 1a57 s THR 103 N 5.50 4.84 -0.12 -0.71 2.01 -1.22 -0.85 115.64 125.09 1a57 s THR 103 Ca 0.71 0.91 -0.01 0.00 0.31 0.00 0.00 61.69 63.61 1a57 s THR 103 Cb -0.23 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.21 1a57 s THR 103 CO 0.30 -0.27 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.45 1a57 s TYR 104 N 2.85 1.27 -0.13 4.92 6.14 -0.82 -2.61 117.35 128.96 1a57 s TYR 104 Ca 0.29 -0.66 -0.02 0.00 0.64 0.00 0.00 57.07 57.31 1a57 s TYR 104 Cb -0.14 -1.11 0.02 0.00 0.42 0.00 0.00 41.96 41.14 1a57 s TYR 104 CO 0.14 -0.49 0.04 -1.91 0.64 0.00 0.00 175.55 173.97 1a57 n GLU 105 N 4.99 -2.45 0.00 4.97 2.13 -1.26 0.40 120.64 129.42 1a57 n GLU 105 Ca -0.11 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1a57 n GLU 105 Cb 0.49 -3.63 0.00 0.00 0.27 0.00 0.00 31.44 28.57 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a57 n GLY 106 N -0.45 2.20 3.95 8.31 0.00 -1.26 -5.12 105.19 112.82 1a57 n GLY 106 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1a57 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a57 s VAL 107 N -1.97 4.57 -0.55 1.61 0.11 0.16 -5.08 120.40 119.24 1a57 s VAL 107 Ca 0.00 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 1a57 s VAL 107 Cb 0.00 -3.66 0.15 0.00 -1.53 0.00 0.00 36.38 31.34 1a57 s VAL 107 CO 0.00 -0.41 0.35 -1.61 -3.33 0.00 0.00 175.10 170.10 1a57 s GLU 108 N -4.37 1.83 -0.56 1.54 2.02 -1.26 -1.94 118.70 115.96 1a57 s GLU 108 Ca 0.43 -2.66 -0.22 0.00 0.02 0.00 0.00 54.97 52.54 1a57 s GLU 108 Cb -0.10 -2.84 0.05 0.00 0.10 0.00 0.00 34.13 31.34 1a57 s GLU 108 CO 0.36 -1.22 0.84 0.00 0.02 0.00 0.00 175.26 175.25 1a57 s ALA 109 N -0.50 3.23 -0.13 5.21 0.00 -0.03 -4.88 121.76 124.65 1a57 s ALA 109 Ca 0.22 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1a57 s ALA 109 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 1a57 s ALA 109 CO -0.09 -2.33 0.22 0.15 0.00 0.00 0.00 175.76 173.72 1a57 s LYS 110 N 3.53 3.94 -0.09 0.00 1.02 -1.26 0.23 119.74 127.11 1a57 s LYS 110 Ca 0.24 -0.00 -0.07 0.00 0.02 0.00 0.00 55.97 56.16 1a57 s LYS 110 Cb -0.16 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1a57 s LYS 110 CO 0.15 0.49 0.18 1.03 -0.92 0.00 0.00 175.35 176.27 1a57 s ARG 111 N -0.24 3.49 -0.35 1.68 0.52 -1.05 -4.98 118.95 118.01 1a57 s ARG 111 Ca 0.15 -0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.22 1a57 s ARG 111 Cb -0.13 -3.17 0.07 0.00 0.52 0.00 0.00 34.95 32.24 1a57 s ARG 111 CO 0.04 0.75 0.11 0.42 0.02 0.00 0.00 175.30 176.63 1a57 s ILE 112 N -1.10 3.28 0.00 1.52 1.01 -1.26 -3.98 121.20 120.67 1a57 s ILE 112 Ca 0.18 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1a57 s ILE 112 Cb -0.13 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1a57 s ILE 112 CO 0.08 -0.36 0.00 0.49 0.00 0.00 0.00 174.94 175.14 1a57 n PHE 113 N 4.65 0.00 0.00 3.97 3.72 -1.26 -5.11 117.46 123.43 1a57 n PHE 113 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1a57 n PHE 113 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -4.25 -1.08 0.00 -1.24 -4.67 118.16 106.92 1a57 n LYS 114 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1a57 n LYS 114 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 1a57 n LYS 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1a57 s LYS 115 N 4.89 1.19 0.00 -1.58 2.20 -1.26 -3.85 119.74 121.33 1a57 s LYS 115 Ca 0.00 -1.60 0.12 0.00 -0.36 0.00 0.00 55.97 54.13 1a57 s LYS 115 Cb 0.00 -0.15 0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1a57 s LYS 115 CO 0.00 -0.22 0.87 -1.91 -0.36 0.00 0.00 175.35 173.73