#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 -3.75 -0.95 0.00 3.01 -1.26 -5.06 117.46 109.45 1a57 n PHE 2 Ca 0.00 1.10 -0.13 0.00 1.01 0.00 0.00 57.45 59.43 1a57 n PHE 2 Cb 0.00 2.54 -0.14 0.00 -0.01 0.00 0.00 39.48 41.87 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 -3.42 -1.00 0.00 4.37 5.75 -1.24 -4.46 116.55 116.54 1a57 n ASP 3 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 1a57 n ASP 3 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 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 3.54 -1.77 3.98 6.12 0.00 -0.15 -4.99 105.19 111.92 1a57 n GLY 4 Ca 0.40 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.37 3.83 0.28 2.61 -4.23 -1.26 -2.52 115.64 111.97 1a57 s THR 5 Ca 0.00 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1a57 s THR 5 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1a57 s THR 5 CO 0.00 -0.17 0.15 0.26 -0.54 0.00 0.00 174.62 174.32 1a57 s TRP 6 N -2.34 1.51 0.00 3.99 0.52 0.35 -3.94 118.94 119.04 1a57 s TRP 6 Ca 0.48 -1.35 0.00 0.00 0.02 0.00 0.00 56.10 55.24 1a57 s TRP 6 Cb -0.10 -0.80 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 1a57 s TRP 6 CO 0.34 -0.53 0.00 1.63 0.02 0.00 0.00 176.95 178.40 1a57 n LYS 7 N -0.50 0.00 0.00 4.98 5.02 -0.76 -3.03 118.16 123.87 1a57 n LYS 7 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1a57 n LYS 7 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 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 -0.41 0.00 -0.00 -0.18 0.31 -1.26 -4.70 118.33 112.09 1a57 n VAL 8 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1a57 n VAL 8 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1a57 n VAL 8 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1a57 h ASP 9 N 0.00 0.31 -4.80 4.52 2.03 -1.91 -3.46 116.42 113.10 1a57 h ASP 9 Ca 0.00 -0.89 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 1a57 h ASP 9 Cb 0.00 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.37 1a57 h ASP 9 CO 0.00 1.41 -0.88 -1.14 -1.03 0.00 0.00 179.24 177.60 1a57 n ARG 10 N -4.17 -3.81 0.10 4.15 0.63 -1.26 -4.82 116.66 107.48 1a57 n ARG 10 Ca -0.19 2.82 0.10 0.00 -0.92 0.00 0.00 57.85 59.66 1a57 n ARG 10 Cb 0.77 -3.73 0.43 0.00 0.45 0.00 0.00 32.46 30.39 1a57 n ARG 10 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1a57 n ASN 11 N 1.92 0.46 -2.43 6.15 4.13 -1.26 -4.94 115.26 119.29 1a57 n ASN 11 Ca -0.11 0.64 -0.04 0.00 1.68 0.00 0.00 54.58 56.75 1a57 n ASN 11 Cb 0.17 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 37.65 1a57 n ASN 11 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1a57 n GLU 12 N -2.03 -3.57 -3.71 3.52 4.07 -1.26 -5.07 120.64 112.60 1a57 n GLU 12 Ca 0.02 2.81 -0.12 0.00 -0.06 0.00 0.00 57.16 59.80 1a57 n GLU 12 Cb 0.17 -4.44 -0.12 0.00 -0.06 0.00 0.00 31.44 26.98 1a57 n GLU 12 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1a57 s ASN 13 N -0.77 -0.28 0.29 4.31 3.84 -1.26 -5.13 114.94 115.94 1a57 s ASN 13 Ca -0.18 0.65 -0.29 0.00 0.21 0.00 0.00 52.86 53.25 1a57 s ASN 13 Cb 0.01 0.56 -0.10 0.00 -0.55 0.00 0.00 41.25 41.18 1a57 s ASN 13 CO 0.66 -0.18 1.22 -0.31 -2.79 0.00 0.00 177.10 175.70 1a57 s TYR 14 N 1.44 3.30 0.00 0.43 1.51 -1.26 -4.97 117.35 117.80 1a57 s TYR 14 Ca -0.08 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.49 1a57 s TYR 14 Cb -0.10 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 1a57 s TYR 14 CO -0.10 -1.31 0.00 0.43 -1.11 0.00 0.00 175.55 173.46 1a57 n SER 15 N 1.22 0.00 0.00 2.29 7.64 -1.26 -5.09 113.62 118.42 1a57 n SER 15 Ca 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1a57 n SER 15 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1a57 n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a57 n GLY 16 N 0.00 -2.77 2.79 0.23 0.00 -1.26 -4.78 105.19 99.41 1a57 n GLY 16 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1a57 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a57 s ALA 17 N -2.40 -0.11 -0.19 4.61 0.00 -1.26 -5.13 121.76 117.28 1a57 s ALA 17 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1a57 s ALA 17 Cb 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1a57 s ALA 17 CO 0.00 -0.76 -0.17 -1.01 0.00 0.00 0.00 175.76 173.82 1a57 s HIS 18 N 2.28 2.86 -0.75 0.00 4.02 -1.26 -5.07 115.29 117.38 1a57 s HIS 18 Ca 0.04 -1.69 -0.10 0.00 1.02 0.00 0.00 55.06 54.33 1a57 s HIS 18 Cb -0.13 -1.94 0.20 0.00 -1.02 0.00 0.00 32.58 29.69 1a57 s HIS 18 CO -0.07 -0.80 0.64 -0.51 1.02 0.00 0.00 174.74 175.02 1a57 s ASP 19 N 1.28 6.18 -0.07 1.40 1.01 -1.26 -5.02 116.67 120.20 1a57 s ASP 19 Ca 0.03 -2.74 0.00 0.00 0.71 0.00 0.00 52.55 50.56 1a57 s ASP 19 Cb -0.14 -2.08 0.02 0.00 1.01 0.00 0.00 42.92 41.73 1a57 s ASP 19 CO -0.11 -0.50 -0.05 0.20 0.21 0.00 0.00 175.17 174.91 1a57 s ASN 20 N 1.64 1.47 0.12 0.27 -0.87 -1.26 -5.14 114.94 111.17 1a57 s ASN 20 Ca 0.17 -0.18 0.01 0.00 -1.57 0.00 0.00 52.86 51.29 1a57 s ASN 20 Cb -0.14 -0.59 0.01 0.00 -0.02 0.00 0.00 41.25 40.50 1a57 s ASN 20 CO -0.07 -0.08 0.07 0.18 -2.57 0.00 0.00 177.10 174.63 1a57 n LEU 21 N 4.42 0.00 -3.99 0.60 4.32 -1.26 -4.80 117.00 116.29 1a57 n LEU 21 Ca -0.18 -0.64 -0.09 0.00 -0.02 0.00 0.00 56.01 55.07 1a57 n LEU 21 Cb 0.51 0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1a57 n LEU 21 CO 0.20 -0.27 0.11 -1.59 -1.22 0.00 0.00 177.39 174.61 1a57 s LYS 22 N -2.47 1.43 0.03 3.23 -2.85 -1.25 -4.35 119.74 113.51 1a57 s LYS 22 Ca 0.05 -1.24 -0.00 0.00 -1.00 0.00 0.00 55.97 53.78 1a57 s LYS 22 Cb -0.00 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 1a57 s LYS 22 CO 0.03 -0.57 -0.03 -0.51 0.10 0.00 0.00 175.35 174.37 1a57 s LEU 23 N -3.01 2.33 0.00 2.77 1.43 -1.17 -3.17 118.68 117.86 1a57 s LEU 23 Ca 0.22 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1a57 s LEU 23 Cb 0.01 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.36 1a57 s LEU 23 CO 0.07 -0.41 0.00 0.41 0.23 0.00 0.00 176.35 176.65 1a57 n THR 24 N 1.07 0.00 -2.95 5.49 -1.04 -1.26 0.13 114.28 115.72 1a57 n THR 24 Ca -0.20 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.53 1a57 n THR 24 Cb 0.57 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.06 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 4.93 -0.43 12.58 1.09 -1.05 -3.86 121.20 134.46 1a57 s ILE 25 Ca 0.00 0.18 0.01 0.00 -1.10 0.00 0.00 60.65 59.74 1a57 s ILE 25 Cb 0.00 -3.80 0.21 0.00 -1.06 0.00 0.00 42.46 37.81 1a57 s ILE 25 CO 0.00 -0.61 0.94 0.41 -0.10 0.00 0.00 174.94 175.58 1a57 n THR 26 N -1.65 0.00 -0.96 2.92 -1.04 -1.26 -0.98 114.28 111.31 1a57 n THR 26 Ca -0.00 -0.73 -0.33 0.00 -2.04 0.00 0.00 64.05 60.95 1a57 n THR 26 Cb 0.55 0.92 0.12 0.00 -1.82 0.00 0.00 70.33 70.10 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 2.51 -0.06 -3.14 -2.82 0.00 -1.26 -4.72 117.38 107.88 1a57 n GLN 27 Ca 0.13 0.04 -0.21 0.00 0.00 0.00 0.00 57.00 56.96 1a57 n GLN 27 Cb 0.62 -2.11 -0.04 0.00 0.00 0.00 0.00 30.24 28.71 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 -2.38 1.50 0.00 2.61 0.28 -0.11 -4.96 120.64 117.59 1a57 n GLU 28 Ca 0.10 -3.74 0.00 0.00 -0.16 0.00 0.00 57.16 53.36 1a57 n GLU 28 Cb 0.52 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 0.32 1.51 0.66 -1.84 0.00 -1.26 -4.30 105.19 100.28 1a57 n GLY 29 Ca 0.26 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1a57 n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 30 N 0.00 0.06 -4.06 1.61 3.02 -1.26 -5.06 115.26 109.57 1a57 n ASN 30 Ca 0.00 -1.73 -0.28 0.00 -0.03 0.00 0.00 54.58 52.54 1a57 n ASN 30 Cb 0.00 -0.12 -0.17 0.00 -0.61 0.00 0.00 39.78 38.88 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1a57 s LYS 31 N 0.00 2.19 0.26 3.52 2.20 -1.26 -1.77 119.74 124.88 1a57 s LYS 31 Ca 0.04 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 1a57 s LYS 31 Cb 0.05 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 1a57 s LYS 31 CO -0.02 -0.03 0.27 -0.59 -0.36 0.00 0.00 175.35 174.61 1a57 s PHE 32 N 0.90 1.14 -0.04 4.03 -0.71 -1.13 -0.93 117.98 121.24 1a57 s PHE 32 Ca -0.09 -1.32 -0.01 0.00 -1.04 0.00 0.00 56.93 54.48 1a57 s PHE 32 Cb -0.15 -0.40 0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1a57 s PHE 32 CO -0.00 -0.82 0.02 -0.08 -1.34 0.00 0.00 175.22 173.00 1a57 s THR 33 N -3.82 0.12 0.43 -4.49 -1.32 -1.26 -2.60 115.64 102.69 1a57 s THR 33 Ca 0.35 0.21 -0.21 0.00 -1.21 0.00 0.00 61.69 60.83 1a57 s THR 33 Cb 0.04 -0.28 -0.11 0.00 -1.51 0.00 0.00 72.50 70.64 1a57 s THR 33 CO 0.16 0.18 0.96 -0.69 -2.21 0.00 0.00 174.62 173.02 1a57 s VAL 34 N 1.58 4.29 -0.25 5.08 1.01 -1.22 -4.08 120.40 126.80 1a57 s VAL 34 Ca -0.02 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1a57 s VAL 34 Cb -0.13 -3.61 0.31 0.00 0.00 0.00 0.00 36.38 32.96 1a57 s VAL 34 CO -0.03 -0.27 1.57 1.17 0.00 0.00 0.00 175.10 177.54 1a57 n LYS 35 N -0.60 1.67 -1.55 2.72 4.81 -1.25 -3.87 118.16 120.10 1a57 n LYS 35 Ca 0.07 -1.54 -0.38 0.00 -0.87 0.00 0.00 58.31 55.59 1a57 n LYS 35 Cb 0.53 -1.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.94 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 -0.21 1.18 -4.56 1.64 2.13 -1.25 -3.82 120.64 115.75 1a57 n GLU 36 Ca 0.30 0.12 -0.32 0.00 0.66 0.00 0.00 57.16 57.92 1a57 n GLU 36 Cb 0.99 -3.27 -0.16 0.00 0.27 0.00 0.00 31.44 29.27 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1a57 s SER 37 N 11.09 2.96 0.00 4.31 0.01 -1.19 -4.18 113.70 126.70 1a57 s SER 37 Ca 1.01 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1a57 s SER 37 Cb -0.29 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.57 1a57 s SER 37 CO 0.30 0.05 0.00 -0.24 0.41 0.00 0.00 173.24 173.77 1a57 n SER 38 N 4.17 0.00 -0.61 2.44 2.88 -1.26 -3.79 113.62 117.45 1a57 n SER 38 Ca -0.20 0.00 0.47 0.00 -1.33 0.00 0.00 58.87 57.81 1a57 n SER 38 Cb 0.51 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.71 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a57 n ASN 39 N 0.00 0.06 0.00 -3.46 4.13 -1.26 -4.23 115.26 110.50 1a57 n ASN 39 Ca 0.00 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.31 1a57 n ASN 39 Cb 0.00 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.72 1a57 n ASN 39 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1a57 n PHE 40 N -4.04 -2.07 -2.61 3.10 -0.00 -1.26 -5.04 117.46 105.54 1a57 n PHE 40 Ca 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.84 1a57 n PHE 40 Cb 1.80 0.44 0.04 0.00 -0.00 0.00 0.00 39.48 41.76 1a57 n PHE 40 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1a57 n ARG 41 N -2.38 0.54 -0.78 -4.13 0.00 -1.26 -4.90 116.66 103.74 1a57 n ARG 41 Ca 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 57.85 57.16 1a57 n ARG 41 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 32.46 32.57 1a57 n ARG 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1a57 n ASN 42 N -0.61 -1.44 -1.28 2.89 6.94 -1.26 -4.83 115.26 115.67 1a57 n ASN 42 Ca -0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.37 1a57 n ASN 42 Cb 0.67 -0.24 -0.06 0.00 -2.36 0.00 0.00 39.78 37.79 1a57 n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a57 n ILE 43 N -2.48 0.00 -2.73 1.53 3.06 -1.26 -4.63 119.36 112.85 1a57 n ILE 43 Ca 0.00 -0.11 -0.39 0.00 -2.50 0.00 0.00 62.75 59.75 1a57 n ILE 43 Cb 0.00 -0.03 -0.06 0.00 0.54 0.00 0.00 39.64 40.09 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 0.53 7.47 -0.46 9.51 1.47 -1.26 -4.65 116.67 129.28 1a57 s ASP 44 Ca 0.38 1.94 -0.02 0.00 1.18 0.00 0.00 52.55 56.03 1a57 s ASP 44 Cb -0.27 -2.60 0.12 0.00 -0.34 0.00 0.00 42.92 39.84 1a57 s ASP 44 CO 0.16 0.02 0.24 -0.69 0.68 0.00 0.00 175.17 175.59 1a57 s VAL 45 N -1.35 3.21 0.25 2.11 1.01 -1.25 -5.02 120.40 119.35 1a57 s VAL 45 Ca 0.45 -2.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 1a57 s VAL 45 Cb -0.24 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1a57 s VAL 45 CO 0.30 -0.73 0.45 0.54 0.00 0.00 0.00 175.10 175.66 1a57 s VAL 46 N 0.74 5.15 0.12 2.92 0.11 -1.26 -3.45 120.40 124.72 1a57 s VAL 46 Ca 0.11 -0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 58.61 1a57 s VAL 46 Cb -0.22 -3.76 0.08 0.00 -1.53 0.00 0.00 36.38 30.96 1a57 s VAL 46 CO -0.04 -0.28 1.11 0.72 -3.33 0.00 0.00 175.10 173.28 1a57 s PHE 47 N -1.99 0.03 -0.54 1.54 -0.12 -1.07 -5.04 117.98 110.80 1a57 s PHE 47 Ca 0.40 -0.34 0.05 0.00 -0.05 0.00 0.00 56.93 56.99 1a57 s PHE 47 Cb -0.11 0.65 0.18 0.00 -0.63 0.00 0.00 43.02 43.12 1a57 s PHE 47 CO 0.30 -0.71 0.44 -1.91 -0.05 0.00 0.00 175.22 173.29 1a57 n GLU 48 N -0.71 1.01 -0.26 1.99 2.13 -1.26 -2.83 120.64 120.71 1a57 n GLU 48 Ca -0.02 -3.77 0.00 0.00 0.66 0.00 0.00 57.16 54.03 1a57 n GLU 48 Cb 0.60 -1.90 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 2.23 0.00 -0.18 4.31 7.94 -0.73 -3.97 117.00 126.60 1a57 n LEU 49 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1a57 n LEU 49 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1a57 n LEU 49 CO 0.18 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 1a57 n GLY 50 N 0.52 0.64 2.70 -3.96 0.00 -0.34 -4.94 105.19 99.80 1a57 n GLY 50 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.60 0.29 0.43 1.61 1.01 -1.25 -5.04 120.40 115.84 1a57 s VAL 51 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 1a57 s VAL 51 Cb 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 1a57 s VAL 51 CO 0.00 -0.17 0.91 -0.62 0.00 0.00 0.00 175.10 175.22 1a57 s ASP 52 N 1.97 6.83 -0.30 3.32 2.15 -1.26 -4.28 116.67 125.10 1a57 s ASP 52 Ca 0.01 1.57 -0.14 0.00 0.43 0.00 0.00 52.55 54.42 1a57 s ASP 52 Cb -0.16 -2.50 0.18 0.00 -0.30 0.00 0.00 42.92 40.14 1a57 s ASP 52 CO -0.08 -0.38 1.03 0.72 -0.17 0.00 0.00 175.17 176.29 1a57 s PHE 53 N -2.25 -0.59 0.23 -5.34 -0.71 0.15 -4.97 117.98 104.51 1a57 s PHE 53 Ca 0.60 0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 56.95 1a57 s PHE 53 Cb -0.09 0.26 -0.10 0.00 -1.21 0.00 0.00 43.02 41.88 1a57 s PHE 53 CO 0.18 -0.31 1.40 0.00 -1.34 0.00 0.00 175.22 175.15 1a57 s ALA 54 N 2.71 3.59 -0.32 1.99 0.00 -1.26 -3.50 121.76 124.98 1a57 s ALA 54 Ca -0.00 1.26 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1a57 s ALA 54 Cb -0.08 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.68 1a57 s ALA 54 CO -0.14 -0.67 0.48 -0.47 0.00 0.00 0.00 175.76 174.96 1a57 s TYR 55 N 0.02 -1.22 -0.79 0.00 6.14 0.21 -4.97 117.35 116.74 1a57 s TYR 55 Ca 0.58 0.33 -0.26 0.00 0.64 0.00 0.00 57.07 58.37 1a57 s TYR 55 Cb -0.40 -0.01 -0.09 0.00 0.42 0.00 0.00 41.96 41.88 1a57 s TYR 55 CO 0.42 -1.04 2.20 0.45 0.64 0.00 0.00 175.55 178.22 1a57 s SER 56 N 2.36 4.50 0.00 4.32 0.15 -1.22 -4.06 113.70 119.75 1a57 s SER 56 Ca 0.12 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1a57 s SER 56 Cb -0.11 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1a57 s SER 56 CO -0.22 -3.26 0.69 -0.11 1.20 0.00 0.00 173.24 171.54 1a57 n LEU 57 N 16.26 0.00 -0.92 3.45 -0.00 -1.26 -3.29 117.00 131.24 1a57 n LEU 57 Ca 0.41 0.69 -0.01 0.00 -0.00 0.00 0.00 56.01 57.11 1a57 n LEU 57 Cb 0.46 -0.19 0.02 0.00 -0.00 0.00 0.00 43.42 43.71 1a57 n LEU 57 CO 0.59 -0.19 0.47 0.00 -0.00 0.00 0.00 177.39 178.26 1a57 n ALA 58 N -1.26 2.71 0.00 1.96 0.00 -1.26 -4.84 120.51 117.82 1a57 n ALA 58 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1a57 n ALA 58 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.24 0.00 -0.04 0.00 5.75 -1.21 -4.59 116.55 116.72 1a57 n ASP 59 Ca 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.78 1a57 n ASP 59 Cb 0.50 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a57 n GLY 60 N -1.04 -0.27 0.76 6.12 0.00 -1.26 -5.00 105.19 104.49 1a57 n GLY 60 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.44 0.00 0.19 2.61 -2.24 -1.26 -4.86 114.28 106.28 1a57 n THR 61 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1a57 n THR 61 Cb 0.71 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.61 0.00 -3.00 -0.78 4.07 -1.26 -4.11 120.64 112.95 1a57 n GLU 62 Ca 0.03 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.86 1a57 n GLU 62 Cb 0.13 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.53 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 -3.41 -1.68 -4.46 4.31 4.32 0.79 0.64 117.00 117.51 1a57 n LEU 63 Ca 0.00 -0.28 -0.43 0.00 -0.02 0.00 0.00 56.01 55.28 1a57 n LEU 63 Cb 0.00 -1.17 -0.04 0.00 -1.62 0.00 0.00 43.42 40.60 1a57 n LEU 63 CO 0.00 0.08 0.78 -0.89 -1.22 0.00 0.00 177.39 176.15 1a57 s THR 64 N -1.49 4.30 0.00 -5.08 2.01 -1.11 -3.56 115.64 110.72 1a57 s THR 64 Ca 0.21 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1a57 s THR 64 Cb -0.02 -4.70 0.00 0.00 0.01 0.00 0.00 72.50 67.79 1a57 s THR 64 CO 0.65 -1.48 0.00 0.61 -0.69 0.00 0.00 174.62 173.71 1a57 n GLY 65 N 5.34 2.44 2.99 4.40 0.00 -1.23 -3.80 105.19 115.34 1a57 n GLY 65 Ca -0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.96 -0.57 -0.15 2.61 -1.32 -1.22 0.30 115.64 112.34 1a57 s THR 66 Ca 0.00 0.02 -0.16 0.00 -1.21 0.00 0.00 61.69 60.34 1a57 s THR 66 Cb 0.00 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1a57 s THR 66 CO 0.00 -0.06 0.38 0.26 -2.21 0.00 0.00 174.62 173.00 1a57 s TRP 67 N 2.53 3.47 -0.51 9.09 0.23 -1.26 -3.68 118.94 128.81 1a57 s TRP 67 Ca 0.07 0.72 0.07 0.00 -2.03 0.00 0.00 56.10 54.93 1a57 s TRP 67 Cb -0.14 -2.46 0.36 0.00 0.03 0.00 0.00 33.47 31.26 1a57 s TRP 67 CO -0.14 0.17 0.93 0.25 0.96 0.00 0.00 176.95 179.12 1a57 n THR 68 N 3.73 2.29 -1.40 2.01 -2.24 -1.10 -1.19 114.28 116.38 1a57 n THR 68 Ca -0.09 -5.21 -0.60 0.00 -2.27 0.00 0.00 64.05 55.87 1a57 n THR 68 Cb 0.52 -1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.17 0.25 0.00 -0.78 1.56 -1.26 -4.66 117.12 112.05 1a57 n MET 69 Ca 0.30 0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 1a57 n MET 69 Cb 0.49 -1.69 0.00 0.00 2.15 0.00 0.00 33.22 34.17 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 6.86 0.00 0.00 2.12 4.07 -1.26 -5.00 120.64 127.42 1a57 n GLU 70 Ca 0.47 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1a57 n GLU 70 Cb 0.01 -0.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 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 2.41 -0.12 1.68 8.31 0.00 -1.26 -4.90 105.19 111.32 1a57 n GLY 71 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.53 4.23 -4.11 1.61 3.02 -1.26 -5.03 115.26 112.19 1a57 n ASN 72 Ca 0.00 -3.79 -0.25 0.00 -0.03 0.00 0.00 54.58 50.51 1a57 n ASN 72 Cb 0.00 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a57 s LYS 73 N -3.52 1.90 -0.34 3.52 1.02 -1.26 -2.98 119.74 118.09 1a57 s LYS 73 Ca 0.48 -2.15 0.15 0.00 0.02 0.00 0.00 55.97 54.48 1a57 s LYS 73 Cb 0.41 -0.58 0.44 0.00 -0.52 0.00 0.00 37.83 37.57 1a57 s LYS 73 CO 0.01 -0.47 1.21 1.28 -0.92 0.00 0.00 175.35 176.47 1a57 n LEU 74 N -0.88 -0.08 -4.71 3.17 4.77 0.47 -4.12 117.00 115.61 1a57 n LEU 74 Ca -0.05 -3.41 -0.42 0.00 -0.03 0.00 0.00 56.01 52.09 1a57 n LEU 74 Cb 0.65 0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.96 1a57 n LEU 74 CO 0.36 1.59 0.86 -0.69 -1.33 0.00 0.00 177.39 178.18 1a57 s VAL 75 N -1.65 4.11 -4.21 4.08 1.01 -1.26 -4.06 120.40 118.41 1a57 s VAL 75 Ca 0.22 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1a57 s VAL 75 Cb 0.41 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1a57 s VAL 75 CO -0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1a57 n GLY 76 N 3.11 -0.90 3.65 4.51 0.00 -1.26 -2.70 105.19 111.60 1a57 n GLY 76 Ca 0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.68 0.14 0.25 1.61 2.36 -1.24 -4.56 119.74 116.61 1a57 s LYS 77 Ca 0.00 0.21 0.05 0.00 -2.55 0.00 0.00 55.97 53.68 1a57 s LYS 77 Cb 0.00 0.04 -0.05 0.00 -1.05 0.00 0.00 37.83 36.77 1a57 s LYS 77 CO 0.00 -0.02 -0.04 -0.06 1.55 0.00 0.00 175.35 176.78 1a57 s PHE 78 N 0.73 1.76 0.02 4.03 0.40 -1.26 -3.42 117.98 120.25 1a57 s PHE 78 Ca -0.03 -0.79 -0.20 0.00 -0.60 0.00 0.00 56.93 55.31 1a57 s PHE 78 Cb -0.03 -1.01 0.04 0.00 0.51 0.00 0.00 43.02 42.53 1a57 s PHE 78 CO -0.12 0.14 0.45 0.21 0.70 0.00 0.00 175.22 176.60 1a57 s LYS 79 N -3.78 0.91 -0.88 0.44 2.36 -1.25 0.20 119.74 117.74 1a57 s LYS 79 Ca 0.28 -0.22 -0.09 0.00 -2.55 0.00 0.00 55.97 53.40 1a57 s LYS 79 Cb 0.04 0.41 0.22 0.00 -1.05 0.00 0.00 37.83 37.46 1a57 s LYS 79 CO 0.10 -0.30 0.80 0.50 1.55 0.00 0.00 175.35 178.00 1a57 s ARG 80 N -2.07 3.52 0.58 4.03 3.52 -0.96 -0.15 118.95 127.42 1a57 s ARG 80 Ca -0.08 -2.82 0.35 0.00 -0.13 0.00 0.00 55.73 53.06 1a57 s ARG 80 Cb -0.02 -4.25 1.31 0.00 -1.56 0.00 0.00 34.95 30.43 1a57 s ARG 80 CO 0.01 -1.25 1.52 0.28 -0.81 0.00 0.00 175.30 175.05 1a57 h VAL 81 N 4.45 0.10 0.00 7.11 2.07 -1.93 1.13 116.25 129.17 1a57 h VAL 81 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1a57 h VAL 81 Cb 0.94 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1a57 h VAL 81 CO 0.83 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.75 1a57 n ASP 82 N -3.62 0.00 0.00 0.57 2.03 -1.26 -4.79 116.55 109.48 1a57 n ASP 82 Ca 0.28 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1a57 n ASP 82 Cb 1.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 1a57 n ASP 82 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1a57 n ASN 83 N -0.97 0.00 0.10 1.67 2.04 0.34 -4.94 115.26 113.49 1a57 n ASN 83 Ca 0.15 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 54.07 1a57 n ASN 83 Cb 0.07 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.19 1a57 n ASN 83 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1a57 h GLY 84 N 0.00 0.69 0.00 4.83 0.00 -0.47 -3.50 103.07 104.62 1a57 h GLY 84 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 47.33 45.87 1a57 h GLY 84 CO 0.00 1.28 0.00 1.17 0.00 0.00 0.00 176.54 178.99 1a57 n LYS 85 N -3.78 0.00 -1.31 4.80 4.81 -0.61 -4.87 118.16 117.20 1a57 n LYS 85 Ca -0.14 0.00 -0.48 0.00 -0.87 0.00 0.00 58.31 56.82 1a57 n LYS 85 Cb 1.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 36.00 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a57 n GLU 86 N -0.72 0.00 -2.67 1.64 1.02 -1.26 -2.26 120.64 116.39 1a57 n GLU 86 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1a57 n GLU 86 Cb 0.00 -1.10 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.64 2.10 -4.75 -4.62 4.77 0.13 -4.17 117.00 112.10 1a57 n LEU 87 Ca 0.17 -3.28 -0.36 0.00 -0.03 0.00 0.00 56.01 52.51 1a57 n LEU 87 Cb 0.16 0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1a57 n LEU 87 CO 0.53 1.19 0.86 -0.63 -1.33 0.00 0.00 177.39 178.02 1a57 s ILE 88 N -3.85 2.49 -0.67 -0.08 1.01 -1.16 -4.43 121.20 114.51 1a57 s ILE 88 Ca 0.31 0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.33 1a57 s ILE 88 Cb 0.34 -3.13 0.20 0.00 0.01 0.00 0.00 42.46 39.87 1a57 s ILE 88 CO -0.03 -0.06 0.57 0.00 0.00 0.00 0.00 174.94 175.42 1a57 n ALA 89 N -1.55 3.57 -1.96 9.38 0.00 -1.26 0.11 120.51 128.80 1a57 n ALA 89 Ca 0.14 -4.51 -0.42 0.00 0.00 0.00 0.00 53.44 48.65 1a57 n ALA 89 Cb 0.49 -0.97 -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 -1.69 3.39 0.05 0.00 1.01 0.83 -4.52 120.40 119.46 1a57 s VAL 90 Ca 0.30 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.61 1a57 s VAL 90 Cb 0.03 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 33.10 1a57 s VAL 90 CO -0.12 -0.04 0.72 -0.60 0.00 0.00 0.00 175.10 175.06 1a57 s ARG 91 N 3.61 1.06 -0.25 2.72 6.06 -1.26 -2.22 118.95 128.67 1a57 s ARG 91 Ca 0.74 -0.22 -0.13 0.00 -2.50 0.00 0.00 55.73 53.62 1a57 s ARG 91 Cb -0.36 0.49 0.08 0.00 0.06 0.00 0.00 34.95 35.23 1a57 s ARG 91 CO 0.31 -0.43 0.59 -1.83 -2.50 0.00 0.00 175.30 171.45 1a57 s GLU 92 N -2.83 0.58 -0.43 5.12 -1.05 -1.26 0.18 118.70 119.01 1a57 s GLU 92 Ca -0.01 1.13 -0.42 0.00 -0.15 0.00 0.00 54.97 55.53 1a57 s GLU 92 Cb -0.01 0.21 -0.18 0.00 -0.44 0.00 0.00 34.13 33.71 1a57 s GLU 92 CO -0.06 -0.17 1.42 -0.89 0.95 0.00 0.00 175.26 176.51 1a57 n ILE 93 N 4.53 0.00 0.08 1.83 2.08 -1.16 -4.86 119.36 121.87 1a57 n ILE 93 Ca -0.19 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.08 1a57 n ILE 93 Cb 0.56 -0.43 -0.02 0.00 -0.75 0.00 0.00 39.64 39.00 1a57 n ILE 93 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1a57 h SER 94 N 4.42 -0.20 0.00 4.38 0.02 -1.79 -3.48 113.55 116.90 1a57 h SER 94 Ca -0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1a57 h SER 94 Cb 1.24 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1a57 h SER 94 CO 0.87 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 1a57 n GLY 95 N 0.34 0.48 2.51 -3.77 0.00 -1.26 -4.95 105.19 98.54 1a57 n GLY 95 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1a57 n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 96 N -0.11 3.10 -3.65 1.61 6.94 -1.26 -5.03 115.26 116.87 1a57 n ASN 96 Ca 0.00 -3.02 -0.02 0.00 -0.02 0.00 0.00 54.58 51.52 1a57 n ASN 96 Cb 0.00 -0.45 -0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1a57 s GLU 97 N -3.52 1.02 -0.05 -3.83 4.04 -1.26 -4.36 118.70 110.74 1a57 s GLU 97 Ca 0.38 -0.59 0.01 0.00 0.04 0.00 0.00 54.97 54.81 1a57 s GLU 97 Cb 0.40 0.33 0.02 0.00 0.02 0.00 0.00 34.13 34.90 1a57 s GLU 97 CO -0.03 -0.47 -0.06 -0.51 -1.84 0.00 0.00 175.26 172.34 1a57 s LEU 98 N -3.07 1.39 0.00 1.83 1.43 -1.26 -2.04 118.68 116.96 1a57 s LEU 98 Ca 0.15 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1a57 s LEU 98 Cb -0.00 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1a57 s LEU 98 CO 0.01 -0.04 0.00 -0.38 0.23 0.00 0.00 176.35 176.18 1a57 n ILE 99 N 4.01 0.00 -0.24 -0.59 5.41 -1.26 -3.60 119.36 123.09 1a57 n ILE 99 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1a57 n ILE 99 Cb 0.51 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 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 -0.36 0.00 -2.66 0.38 1.13 -1.26 -4.11 117.38 110.50 1a57 n GLN 100 Ca 0.00 0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.72 1a57 n GLN 100 Cb 0.00 -0.19 -0.03 0.00 0.11 0.00 0.00 30.24 30.13 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 -0.06 4.09 0.05 5.09 2.01 -0.94 -4.28 115.64 121.59 1a57 s THR 101 Ca 0.00 -0.72 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1a57 s THR 101 Cb 0.00 -4.95 -0.07 0.00 0.01 0.00 0.00 72.50 67.49 1a57 s THR 101 CO 0.00 -1.80 1.47 -0.31 -0.69 0.00 0.00 174.62 173.29 1a57 s TYR 102 N 4.55 2.85 -0.90 4.92 2.02 -1.06 -0.12 117.35 129.60 1a57 s TYR 102 Ca 0.40 0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 57.70 1a57 s TYR 102 Cb -0.03 -3.75 0.23 0.00 -0.40 0.00 0.00 41.96 38.00 1a57 s TYR 102 CO -0.05 -2.83 0.85 0.99 -1.57 0.00 0.00 175.55 172.94 1a57 s THR 103 N 2.10 5.57 -0.17 -0.71 2.01 0.31 -2.93 115.64 121.82 1a57 s THR 103 Ca 0.67 -2.82 -0.03 0.00 0.31 0.00 0.00 61.69 59.82 1a57 s THR 103 Cb -0.35 -4.42 -0.02 0.00 0.01 0.00 0.00 72.50 67.71 1a57 s THR 103 CO 0.29 -1.07 -0.04 -0.47 -0.69 0.00 0.00 174.62 172.64 1a57 s TYR 104 N -0.30 2.99 -1.14 4.92 6.14 -1.20 -3.40 117.35 125.36 1a57 s TYR 104 Ca 0.22 -0.42 0.00 0.00 0.64 0.00 0.00 57.07 57.50 1a57 s TYR 104 Cb -0.11 -1.98 0.00 0.00 0.42 0.00 0.00 41.96 40.30 1a57 s TYR 104 CO -0.09 -0.14 0.00 0.39 0.64 0.00 0.00 175.55 176.36 1a57 n GLU 105 N 3.76 -1.32 0.00 4.97 1.02 -1.26 -0.55 120.64 127.26 1a57 n GLU 105 Ca -0.17 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1a57 n GLU 105 Cb 0.52 -4.87 0.00 0.00 -0.02 0.00 0.00 31.44 27.07 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 -0.25 0.26 3.49 0.62 0.00 -1.26 -5.06 105.19 102.99 1a57 n GLY 106 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1a57 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 107 N -2.00 5.14 -0.94 1.61 1.01 0.28 -4.99 120.40 120.52 1a57 s VAL 107 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1a57 s VAL 107 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1a57 s VAL 107 CO 0.00 -0.10 1.62 -1.61 0.00 0.00 0.00 175.10 175.01 1a57 s GLU 108 N 1.69 3.16 -0.12 2.72 2.02 -1.26 -3.24 118.70 123.66 1a57 s GLU 108 Ca 0.05 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1a57 s GLU 108 Cb -0.18 -5.11 0.02 0.00 0.10 0.00 0.00 34.13 28.96 1a57 s GLU 108 CO 0.10 -2.62 -0.13 0.00 0.02 0.00 0.00 175.26 172.62 1a57 s ALA 109 N 6.96 1.68 0.34 5.21 0.00 -1.15 -5.05 121.76 129.76 1a57 s ALA 109 Ca 0.54 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.79 1a57 s ALA 109 Cb -0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1a57 s ALA 109 CO -0.03 -0.25 0.50 0.15 0.00 0.00 0.00 175.76 176.13 1a57 s LYS 110 N 1.29 3.21 -0.17 0.00 1.02 -1.26 -2.57 119.74 121.27 1a57 s LYS 110 Ca -0.00 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 1a57 s LYS 110 Cb -0.14 -2.76 -0.08 0.00 -0.52 0.00 0.00 37.83 34.33 1a57 s LYS 110 CO -0.06 0.08 -0.20 0.54 -0.92 0.00 0.00 175.35 174.79 1a57 n ARG 111 N -1.70 0.37 -0.77 1.68 1.74 -1.26 -4.99 116.66 111.72 1a57 n ARG 111 Ca -0.02 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1a57 n ARG 111 Cb 0.58 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1a57 n ARG 111 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1a57 n ILE 112 N -3.54 -1.55 -4.39 0.55 5.41 -1.26 -5.13 119.36 109.45 1a57 n ILE 112 Ca -0.32 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.21 1a57 n ILE 112 Cb 0.75 -1.94 -0.08 0.00 -0.71 0.00 0.00 39.64 37.66 1a57 n ILE 112 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1a57 s PHE 113 N 0.00 1.79 0.00 1.39 0.08 -1.25 -5.03 117.98 114.96 1a57 s PHE 113 Ca 0.00 -1.55 0.00 0.00 0.12 0.00 0.00 56.93 55.50 1a57 s PHE 113 Cb 0.00 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.56 1a57 s PHE 113 CO 0.00 -0.67 0.00 0.36 -0.10 0.00 0.00 175.22 174.81 1a57 n LYS 114 N -0.77 0.00 -0.37 0.44 -0.00 -1.24 -4.10 118.16 112.12 1a57 n LYS 114 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1a57 n LYS 114 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.66 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 3.36 0.00 -1.58 4.81 -1.26 -2.82 118.16 120.67 1a57 n LYS 115 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1a57 n LYS 115 Cb 0.00 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.31 1a57 n LYS 115 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96