#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 -0.82 0.00 3.72 -1.26 -4.82 117.46 114.28 1a57 n PHE 2 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1a57 n PHE 2 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1a57 n ASP 3 N 0.00 0.04 0.00 4.37 5.68 -1.23 -4.73 116.55 120.68 1a57 n ASP 3 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1a57 n ASP 3 Cb 0.00 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a57 n GLY 4 N 3.49 3.77 3.66 6.12 0.00 -1.04 -5.02 105.19 116.16 1a57 n GLY 4 Ca 0.36 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.82 2.24 0.17 2.61 -4.23 -1.26 -4.06 115.64 109.29 1a57 s THR 5 Ca 0.00 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1a57 s THR 5 Cb 0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1a57 s THR 5 CO 0.00 -0.10 0.13 0.26 -0.54 0.00 0.00 174.62 174.37 1a57 s TRP 6 N -2.87 0.93 0.00 3.99 0.52 0.24 -4.68 118.94 117.07 1a57 s TRP 6 Ca 0.65 -1.23 0.00 0.00 0.02 0.00 0.00 56.10 55.54 1a57 s TRP 6 Cb -0.19 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.68 1a57 s TRP 6 CO 0.58 -0.62 0.00 1.63 0.02 0.00 0.00 176.95 178.57 1a57 n LYS 7 N -0.20 0.00 0.00 4.98 5.02 -1.00 -1.17 118.16 125.79 1a57 n LYS 7 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1a57 n LYS 7 Cb 0.65 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 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 -1.45 0.00 -2.83 -0.18 0.31 -1.26 -4.40 118.33 108.52 1a57 n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a57 n VAL 8 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1a57 n ASP 9 N 0.00 1.67 -3.64 4.52 2.03 -1.26 -4.51 116.55 115.36 1a57 n ASP 9 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1a57 n ASP 9 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1a57 n ASP 9 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1a57 s ARG 10 N 1.27 0.33 -0.45 -0.67 6.06 -1.26 -4.94 118.95 119.29 1a57 s ARG 10 Ca 0.00 1.01 0.06 0.00 -2.50 0.00 0.00 55.73 54.30 1a57 s ARG 10 Cb 0.00 0.29 0.22 0.00 0.06 0.00 0.00 34.95 35.52 1a57 s ARG 10 CO 0.00 -0.28 0.66 -1.71 -2.50 0.00 0.00 175.30 171.47 1a57 n ASN 11 N 5.39 -1.75 -3.52 -2.12 2.85 -1.26 -4.27 115.26 110.58 1a57 n ASN 11 Ca -0.08 -2.89 -0.27 0.00 -0.11 0.00 0.00 54.58 51.23 1a57 n ASN 11 Cb 0.49 0.72 -0.10 0.00 1.24 0.00 0.00 39.78 42.13 1a57 n ASN 11 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1a57 n GLU 12 N 2.06 1.32 -2.08 1.20 4.07 -1.26 -4.80 120.64 121.15 1a57 n GLU 12 Ca 0.18 -3.93 -0.01 0.00 -0.06 0.00 0.00 57.16 53.35 1a57 n GLU 12 Cb 0.56 -1.90 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 1a57 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1a57 n ASN 13 N 1.84 -4.08 -3.65 4.31 4.13 -1.26 -4.12 115.26 112.44 1a57 n ASN 13 Ca 0.25 -0.05 -0.24 0.00 1.68 0.00 0.00 54.58 56.22 1a57 n ASN 13 Cb 0.43 -2.54 0.04 0.00 -1.54 0.00 0.00 39.78 36.17 1a57 n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a57 n TYR 14 N -1.38 -1.96 -3.76 3.10 4.19 -1.26 -4.60 117.16 111.49 1a57 n TYR 14 Ca -0.00 0.73 0.03 0.00 3.31 0.00 0.00 57.90 61.97 1a57 n TYR 14 Cb 0.51 -4.05 -0.01 0.00 0.49 0.00 0.00 39.34 36.28 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1a57 n SER 15 N -2.97 -4.44 0.00 2.98 3.41 -1.26 -5.03 113.62 106.31 1a57 n SER 15 Ca -0.21 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1a57 n SER 15 Cb 0.65 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1a57 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a57 n GLY 16 N -0.79 -0.76 3.46 5.00 0.00 -1.26 -4.31 105.19 106.53 1a57 n GLY 16 Ca 0.00 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.04 2.80 -0.92 4.61 0.00 -1.26 -5.05 121.76 120.90 1a57 s ALA 17 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 1a57 s ALA 17 Cb 0.00 -1.27 0.12 0.00 0.00 0.00 0.00 23.12 21.97 1a57 s ALA 17 CO 0.00 0.36 1.14 -1.01 0.00 0.00 0.00 175.76 176.25 1a57 s HIS 18 N -0.06 3.06 -0.18 0.00 3.76 -1.26 -4.54 115.29 116.07 1a57 s HIS 18 Ca -0.01 -1.32 0.16 0.00 -0.15 0.00 0.00 55.06 53.75 1a57 s HIS 18 Cb -0.14 -4.31 0.37 0.00 1.11 0.00 0.00 32.58 29.61 1a57 s HIS 18 CO 0.03 -1.53 1.23 -0.40 -0.85 0.00 0.00 174.74 173.23 1a57 n ASP 19 N 6.76 0.06 -4.74 1.40 5.68 -1.26 -5.06 116.55 119.39 1a57 n ASP 19 Ca 0.23 -2.07 -0.26 0.00 -0.50 0.00 0.00 54.79 52.19 1a57 n ASP 19 Cb 0.49 0.05 0.09 0.00 -1.14 0.00 0.00 41.12 40.62 1a57 n ASP 19 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a57 s ASN 20 N -2.12 4.45 0.00 -1.12 4.22 -1.26 -4.78 114.94 114.33 1a57 s ASN 20 Ca 0.18 0.23 0.00 0.00 -2.14 0.00 0.00 52.86 51.13 1a57 s ASN 20 Cb 0.31 -0.74 0.00 0.00 1.28 0.00 0.00 41.25 42.10 1a57 s ASN 20 CO -0.09 -1.82 0.00 0.18 -2.04 0.00 0.00 177.10 173.33 1a57 n LEU 21 N -3.02 0.00 0.00 3.54 4.32 -1.26 -4.49 117.00 116.09 1a57 n LEU 21 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1a57 n LEU 21 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1a57 n LEU 21 CO 0.49 -0.20 0.00 0.29 -1.22 0.00 0.00 177.39 176.75 1a57 n LYS 22 N -0.40 -0.08 -3.92 3.23 5.02 -1.26 -4.51 118.16 116.24 1a57 n LYS 22 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1a57 n LYS 22 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1a57 n LYS 22 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a57 n LEU 23 N 0.00 0.00 0.00 -0.35 4.77 -0.32 -2.38 117.00 118.72 1a57 n LEU 23 Ca 0.00 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 1a57 n LEU 23 Cb 0.00 1.65 0.00 0.00 -2.33 0.00 0.00 43.42 42.74 1a57 n LEU 23 CO 0.00 -0.49 0.00 0.41 -1.33 0.00 0.00 177.39 175.98 1a57 n THR 24 N -0.55 0.00 -0.90 -5.08 -1.04 -1.26 0.83 114.28 106.29 1a57 n THR 24 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1a57 n THR 24 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.00 -3.30 -2.71 12.58 -0.00 -1.24 -3.51 119.36 121.18 1a57 n ILE 25 Ca 0.00 1.28 -0.05 0.00 -0.00 0.00 0.00 62.75 63.98 1a57 n ILE 25 Cb 0.00 -2.15 0.05 0.00 -0.00 0.00 0.00 39.64 37.54 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 -0.09 0.00 -1.23 1.39 -1.04 -1.26 -2.51 114.28 109.55 1a57 n THR 26 Ca 0.00 -0.89 -0.43 0.00 -2.04 0.00 0.00 64.05 60.70 1a57 n THR 26 Cb 0.00 1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 69.57 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 2.05 0.00 0.00 -2.82 0.00 -1.26 -4.94 117.38 110.42 1a57 n GLN 27 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.09 1a57 n GLN 27 Cb 0.64 -0.91 0.00 0.00 0.00 0.00 0.00 30.24 29.97 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 0.91 0.00 -3.02 2.61 0.28 -1.12 -4.83 120.64 115.48 1a57 n GLU 28 Ca 0.16 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.79 1a57 n GLU 28 Cb 0.20 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.06 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 3.71 5.37 2.49 -1.84 0.00 -1.26 -4.66 105.19 108.99 1a57 n GLY 29 Ca 0.00 -2.69 -0.06 0.00 0.00 0.00 0.00 46.02 43.27 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 0.69 -4.65 -4.76 1.61 3.02 -1.26 -4.99 115.26 104.92 1a57 n ASN 30 Ca 0.32 0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.64 1a57 n ASN 30 Cb 0.34 -2.63 -0.06 0.00 -0.61 0.00 0.00 39.78 36.81 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a57 s LYS 31 N -2.02 4.19 -0.03 3.52 1.02 -1.26 -3.83 119.74 121.33 1a57 s LYS 31 Ca 0.00 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.31 1a57 s LYS 31 Cb 0.00 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1a57 s LYS 31 CO 0.00 0.33 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.63 1a57 s PHE 32 N 0.12 2.92 -0.23 3.18 0.40 -1.12 -2.81 117.98 120.43 1a57 s PHE 32 Ca 0.22 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1a57 s PHE 32 Cb -0.15 -1.66 0.07 0.00 0.51 0.00 0.00 43.02 41.79 1a57 s PHE 32 CO 0.09 0.36 0.01 0.99 0.70 0.00 0.00 175.22 177.37 1a57 s THR 33 N -0.91 0.95 0.42 0.64 2.01 -1.26 -2.07 115.64 115.41 1a57 s THR 33 Ca 0.15 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 1a57 s THR 33 Cb -0.11 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.89 1a57 s THR 33 CO 0.05 -0.24 0.90 -0.69 -0.69 0.00 0.00 174.62 173.94 1a57 s VAL 34 N 1.65 4.49 -0.57 3.82 1.01 -1.09 -3.68 120.40 126.03 1a57 s VAL 34 Ca -0.01 1.30 -0.00 0.00 0.00 0.00 0.00 61.98 63.26 1a57 s VAL 34 Cb -0.18 -3.62 0.49 0.00 0.00 0.00 0.00 36.38 33.07 1a57 s VAL 34 CO -0.10 -0.35 1.99 1.17 0.00 0.00 0.00 175.10 177.81 1a57 n LYS 35 N -0.73 2.47 -1.55 2.72 4.81 -1.26 -3.53 118.16 121.10 1a57 n LYS 35 Ca 0.06 -3.04 -0.31 0.00 -0.87 0.00 0.00 58.31 54.15 1a57 n LYS 35 Cb 0.54 -2.19 -0.05 0.00 0.02 0.00 0.00 35.03 33.34 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 -0.88 0.82 -3.77 1.64 2.13 -1.26 -3.63 120.64 115.69 1a57 n GLU 36 Ca 0.59 -0.19 -0.36 0.00 0.66 0.00 0.00 57.16 57.86 1a57 n GLU 36 Cb 0.95 -3.28 -0.07 0.00 0.27 0.00 0.00 31.44 29.31 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 11.40 6.31 0.00 4.31 0.01 -1.00 -4.44 113.70 130.29 1a57 s SER 37 Ca 1.01 0.36 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1a57 s SER 37 Cb -0.27 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1a57 s SER 37 CO 0.25 0.27 0.00 -1.54 0.41 0.00 0.00 173.24 172.63 1a57 n SER 38 N 2.89 0.58 -0.32 2.44 3.41 0.44 -4.40 113.62 118.66 1a57 n SER 38 Ca -0.17 -0.23 0.01 0.00 -0.26 0.00 0.00 58.87 58.22 1a57 n SER 38 Cb 0.53 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.62 1a57 n SER 38 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1a57 h ASN 39 N 0.00 0.89 -1.92 4.04 4.21 -1.90 -2.86 115.58 118.04 1a57 h ASN 39 Ca 0.00 0.01 -0.71 0.00 1.21 0.00 0.00 56.30 56.81 1a57 h ASN 39 Cb 0.00 -0.18 -0.16 0.00 -1.12 0.00 0.00 38.32 36.87 1a57 h ASN 39 CO 0.00 0.58 1.41 -0.36 -1.29 0.00 0.00 177.43 177.77 1a57 s PHE 40 N -6.06 3.24 0.00 1.19 0.08 -1.26 -4.94 117.98 110.22 1a57 s PHE 40 Ca -0.13 -1.83 0.00 0.00 0.12 0.00 0.00 56.93 55.10 1a57 s PHE 40 Cb 0.18 -4.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.23 1a57 s PHE 40 CO 0.80 -1.52 0.00 2.89 -0.10 0.00 0.00 175.22 177.29 1a57 n ARG 41 N 6.49 0.00 0.00 0.44 0.00 -1.08 -4.16 116.66 118.36 1a57 n ARG 41 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 1a57 n ARG 41 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.91 1a57 n ARG 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1a57 n ASN 42 N -2.08 0.00 -2.11 2.89 3.02 -1.26 -0.42 115.26 115.30 1a57 n ASN 42 Ca 0.00 0.55 -0.02 0.00 -0.03 0.00 0.00 54.58 55.08 1a57 n ASN 42 Cb 0.00 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1a57 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a57 n ILE 43 N -1.94-10.03 -3.85 2.41 0.13 -1.26 -3.28 119.36 101.54 1a57 n ILE 43 Ca 0.00 2.10 -0.27 0.00 -1.10 0.00 0.00 62.75 63.48 1a57 n ILE 43 Cb 0.00 -5.43 -0.03 0.00 -0.84 0.00 0.00 39.64 33.34 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 -0.44 6.36 -0.25 9.51 1.47 -1.26 -4.43 116.67 127.62 1a57 s ASP 44 Ca -0.11 0.27 0.00 0.00 1.18 0.00 0.00 52.55 53.90 1a57 s ASP 44 Cb 0.01 -1.95 0.07 0.00 -0.34 0.00 0.00 42.92 40.70 1a57 s ASP 44 CO 0.29 0.03 -0.01 -0.69 0.68 0.00 0.00 175.17 175.46 1a57 s VAL 45 N -1.76 1.41 0.17 2.11 1.01 -1.23 -5.02 120.40 117.09 1a57 s VAL 45 Ca 0.36 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1a57 s VAL 45 Cb -0.11 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1a57 s VAL 45 CO 0.29 -0.24 -0.04 0.54 0.00 0.00 0.00 175.10 175.64 1a57 s VAL 46 N 1.42 3.51 0.00 2.92 0.11 -1.26 -2.67 120.40 124.43 1a57 s VAL 46 Ca -0.02 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 1a57 s VAL 46 Cb -0.18 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 1a57 s VAL 46 CO -0.09 -0.08 0.00 2.22 -3.33 0.00 0.00 175.10 173.81 1a57 n PHE 47 N 0.03 -0.25 -2.80 1.54 -1.74 -0.88 -5.00 117.46 108.35 1a57 n PHE 47 Ca -0.10 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.64 1a57 n PHE 47 Cb 0.55 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.55 1a57 n PHE 47 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1a57 n GLU 48 N 0.00 1.51 -1.34 3.97 1.02 -1.26 -2.81 120.64 121.73 1a57 n GLU 48 Ca 0.00 -3.54 -0.12 0.00 -0.02 0.00 0.00 57.16 53.47 1a57 n GLU 48 Cb 0.00 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 1a57 n GLU 48 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1a57 n LEU 49 N -0.03 -0.87 0.00 -4.62 -0.00 -1.25 -4.24 117.00 105.99 1a57 n LEU 49 Ca 0.18 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1a57 n LEU 49 Cb 0.73 -1.95 0.00 0.00 -0.00 0.00 0.00 43.42 42.20 1a57 n LEU 49 CO 0.27 -0.67 0.00 0.61 -0.00 0.00 0.00 177.39 177.59 1a57 n GLY 50 N -0.20 -0.35 1.01 -3.96 0.00 -1.25 -4.16 105.19 96.28 1a57 n GLY 50 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1a57 n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a57 n VAL 51 N 0.00 0.00 -0.19 1.61 0.31 -1.26 -5.06 118.33 113.74 1a57 n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a57 n VAL 51 Cb 0.00 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1a57 n VAL 51 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a57 n ASP 52 N -2.90 -2.61 -3.56 4.52 8.00 -1.26 -5.05 116.55 113.69 1a57 n ASP 52 Ca 0.00 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 1a57 n ASP 52 Cb 0.45 0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 1a57 n ASP 52 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1a57 s PHE 53 N -1.28 -0.51 -0.31 1.24 -0.71 -0.87 -4.98 117.98 110.55 1a57 s PHE 53 Ca 0.00 0.94 -0.09 0.00 -1.04 0.00 0.00 56.93 56.73 1a57 s PHE 53 Cb 0.00 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1a57 s PHE 53 CO 0.00 -0.44 0.15 0.00 -1.34 0.00 0.00 175.22 173.59 1a57 s ALA 54 N -0.96 3.26 -0.03 1.99 0.00 -1.26 -2.24 121.76 122.53 1a57 s ALA 54 Ca -0.05 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 1a57 s ALA 54 Cb -0.01 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1a57 s ALA 54 CO 0.04 -0.88 0.03 -0.47 0.00 0.00 0.00 175.76 174.47 1a57 s TYR 55 N 1.61 0.13 -0.40 0.00 5.04 -1.06 -5.02 117.35 117.66 1a57 s TYR 55 Ca 0.05 0.10 -0.29 0.00 -2.44 0.00 0.00 57.07 54.49 1a57 s TYR 55 Cb -0.17 -0.34 0.02 0.00 0.35 0.00 0.00 41.96 41.82 1a57 s TYR 55 CO 0.06 -0.12 1.19 0.45 -1.34 0.00 0.00 175.55 175.79 1a57 s SER 56 N 1.25 6.67 0.00 4.32 0.15 -1.26 -3.74 113.70 121.09 1a57 s SER 56 Ca -0.07 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1a57 s SER 56 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1a57 s SER 56 CO -0.03 -1.15 0.11 0.18 1.20 0.00 0.00 173.24 173.55 1a57 n LEU 57 N 7.70 0.33 0.00 3.45 7.99 -1.26 -4.93 117.00 130.28 1a57 n LEU 57 Ca 0.13 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1a57 n LEU 57 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1a57 n LEU 57 CO 0.67 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.55 1a57 n ALA 58 N -2.15 0.00 0.58 -1.18 0.00 -1.26 -4.95 120.51 111.55 1a57 n ALA 58 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1a57 n ALA 58 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 0.00 0.58 -3.21 0.00 9.92 -1.26 -4.53 116.55 118.05 1a57 n ASP 59 Ca 0.00 -0.52 -0.23 0.00 -0.53 0.00 0.00 54.79 53.51 1a57 n ASP 59 Cb 0.00 1.32 -0.07 0.00 -0.64 0.00 0.00 41.12 41.73 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a57 n GLY 60 N 1.39 2.19 3.27 0.44 0.00 -1.26 -5.10 105.19 106.13 1a57 n GLY 60 Ca 0.01 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.47 0.04 -0.34 2.61 -4.23 -1.26 -5.06 115.64 106.94 1a57 s THR 61 Ca 0.34 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.63 1a57 s THR 61 Cb 0.12 -0.64 0.44 0.00 1.34 0.00 0.00 72.50 73.76 1a57 s THR 61 CO -0.15 -0.20 1.13 1.21 -0.54 0.00 0.00 174.62 176.07 1a57 n GLU 62 N 1.46 1.21 -1.01 3.99 2.13 -1.26 -4.20 120.64 122.96 1a57 n GLU 62 Ca -0.20 -2.67 -0.29 0.00 0.66 0.00 0.00 57.16 54.65 1a57 n GLU 62 Cb 0.56 -0.77 0.17 0.00 0.27 0.00 0.00 31.44 31.68 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1a57 s LEU 63 N -3.25 1.90 -0.30 4.31 1.02 -1.25 -3.50 118.68 117.62 1a57 s LEU 63 Ca 0.24 1.51 -0.10 0.00 0.02 0.00 0.00 54.13 55.81 1a57 s LEU 63 Cb 0.43 -3.78 0.15 0.00 0.02 0.00 0.00 46.19 43.01 1a57 s LEU 63 CO -0.02 -3.10 0.71 -0.89 0.02 0.00 0.00 176.35 173.06 1a57 s THR 64 N -2.81 -0.90 0.00 5.49 2.01 -1.26 -2.56 115.64 115.60 1a57 s THR 64 Ca 0.65 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1a57 s THR 64 Cb -0.20 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.31 1a57 s THR 64 CO 0.59 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 1a57 n GLY 65 N 5.37 3.60 0.00 4.40 0.00 -0.95 -3.72 105.19 113.90 1a57 n GLY 65 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1a57 n GLY 65 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a57 n THR 66 N 0.00 0.00 -3.61 2.61 5.66 -1.26 -2.05 114.28 115.63 1a57 n THR 66 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1a57 n THR 66 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 1a57 n THR 66 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1a57 s TRP 67 N -0.90 0.35 -1.02 1.09 0.52 -1.26 -3.50 118.94 114.21 1a57 s TRP 67 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 56.10 55.55 1a57 s TRP 67 Cb 0.00 -0.80 0.28 0.00 -1.15 0.00 0.00 33.47 31.80 1a57 s TRP 67 CO 0.00 -0.60 1.19 0.25 0.02 0.00 0.00 176.95 177.81 1a57 n THR 68 N 5.24 4.47 -1.55 2.01 -2.24 -1.19 -3.77 114.28 117.24 1a57 n THR 68 Ca -0.07 -5.57 -0.50 0.00 -2.27 0.00 0.00 64.05 55.63 1a57 n THR 68 Cb 0.47 -2.29 -0.05 0.00 -2.10 0.00 0.00 70.33 66.37 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 1.85 0.87 -3.20 -0.78 0.00 -1.26 -4.61 117.12 109.99 1a57 n MET 69 Ca 0.25 0.31 -0.23 0.00 0.00 0.00 0.00 57.70 58.03 1a57 n MET 69 Cb 0.36 -1.77 -0.06 0.00 0.00 0.00 0.00 33.22 31.76 1a57 n MET 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1a57 n GLU 70 N 1.69 1.10 -2.80 2.12 4.07 -1.17 -4.95 120.64 120.69 1a57 n GLU 70 Ca 0.16 -3.50 -0.05 0.00 -0.06 0.00 0.00 57.16 53.72 1a57 n GLU 70 Cb 0.22 -1.51 0.01 0.00 -0.06 0.00 0.00 31.44 30.09 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 0.95 -2.56 2.37 8.31 0.00 -1.26 -3.84 105.19 109.16 1a57 n GLY 71 Ca 0.24 0.93 -0.18 0.00 0.00 0.00 0.00 46.02 47.01 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 0.13 -5.19 -4.26 1.61 3.02 -1.26 -5.00 115.26 104.31 1a57 n ASN 72 Ca 0.07 0.07 -0.17 0.00 -0.03 0.00 0.00 54.58 54.52 1a57 n ASN 72 Cb 0.27 -4.26 -0.11 0.00 -0.61 0.00 0.00 39.78 35.07 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 -4.63 1.07 -0.31 3.52 1.02 -1.25 -2.19 119.74 116.97 1a57 s LYS 73 Ca 0.00 -1.35 0.18 0.00 0.02 0.00 0.00 55.97 54.83 1a57 s LYS 73 Cb 0.00 -0.85 0.46 0.00 -0.52 0.00 0.00 37.83 36.93 1a57 s LYS 73 CO 0.00 0.14 1.02 1.28 -0.92 0.00 0.00 175.35 176.87 1a57 n LEU 74 N 0.19 1.21 -4.77 3.17 4.77 0.49 -3.03 117.00 119.02 1a57 n LEU 74 Ca -0.13 -3.54 -0.37 0.00 -0.03 0.00 0.00 56.01 51.94 1a57 n LEU 74 Cb 0.59 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1a57 n LEU 74 CO 0.30 1.48 0.83 -0.69 -1.33 0.00 0.00 177.39 177.97 1a57 s VAL 75 N -3.00 3.00 -5.00 4.08 1.01 -1.26 -4.24 120.40 114.99 1a57 s VAL 75 Ca 0.26 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1a57 s VAL 75 Cb 0.43 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1a57 s VAL 75 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1a57 n GLY 76 N 0.40 0.49 3.60 4.51 0.00 -1.26 -3.20 105.19 109.72 1a57 n GLY 76 Ca 0.09 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.54 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 0.19 0.56 1.61 2.20 -1.23 -4.31 119.74 116.76 1a57 s LYS 77 Ca 0.00 0.35 0.09 0.00 -0.36 0.00 0.00 55.97 56.04 1a57 s LYS 77 Cb 0.00 0.07 0.07 0.00 -1.51 0.00 0.00 37.83 36.46 1a57 s LYS 77 CO 0.00 -0.04 0.70 -0.06 -0.36 0.00 0.00 175.35 175.59 1a57 s PHE 78 N 1.33 1.54 0.00 4.03 0.08 -1.23 -3.57 117.98 120.16 1a57 s PHE 78 Ca -0.07 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.25 1a57 s PHE 78 Cb -0.03 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 1a57 s PHE 78 CO -0.13 -0.98 0.00 1.17 -0.10 0.00 0.00 175.22 175.19 1a57 n LYS 79 N -2.12 0.00 0.00 0.44 0.00 -1.24 -0.95 118.16 114.29 1a57 n LYS 79 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1a57 n LYS 79 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 1a57 n LYS 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1a57 n ARG 80 N 0.00 0.00 0.00 1.64 0.63 -1.25 -4.17 116.66 113.51 1a57 n ARG 80 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1a57 n ARG 80 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1a57 n ARG 80 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1a57 n VAL 81 N 0.00 0.34 -0.06 5.15 0.31 -1.23 -1.59 118.33 121.26 1a57 n VAL 81 Ca 0.00 0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.40 1a57 n VAL 81 Cb 0.00 -1.09 -0.13 0.00 -0.91 0.00 0.00 33.84 31.70 1a57 n VAL 81 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a57 n ASP 82 N -1.06 0.91 0.00 4.52 8.00 -1.26 -4.76 116.55 122.90 1a57 n ASP 82 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a57 n ASP 82 Cb 0.01 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.31 1a57 n ASP 82 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a57 n ASN 83 N -2.46 0.94 -2.52 -2.24 2.85 -0.62 -4.96 115.26 106.25 1a57 n ASN 83 Ca -0.19 -1.10 -0.16 0.00 -0.11 0.00 0.00 54.58 53.01 1a57 n ASN 83 Cb 0.86 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.93 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1a57 n GLY 84 N -0.05 -0.08 0.00 8.20 0.00 -1.02 -4.96 105.19 107.28 1a57 n GLY 84 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.46 0.00 -1.49 1.61 3.00 -1.22 -4.88 118.16 111.72 1a57 n LYS 85 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1a57 n LYS 85 Cb 0.55 -0.60 -0.00 0.00 0.00 0.00 0.00 35.03 34.98 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 -0.46 -0.33 -2.51 1.64 -0.58 -1.26 -3.76 120.64 113.39 1a57 n GLU 86 Ca 0.00 0.71 -0.20 0.00 -0.42 0.00 0.00 57.16 57.25 1a57 n GLU 86 Cb 0.00 -1.20 0.01 0.00 -0.57 0.00 0.00 31.44 29.69 1a57 n GLU 86 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1a57 n LEU 87 N 0.12 3.63 -4.76 -4.62 7.94 -0.12 -3.95 117.00 115.23 1a57 n LEU 87 Ca -0.02 -4.63 -0.38 0.00 -1.11 0.00 0.00 56.01 49.87 1a57 n LEU 87 Cb 0.04 -0.15 0.01 0.00 0.53 0.00 0.00 43.42 43.85 1a57 n LEU 87 CO 0.02 1.97 0.89 -0.63 -1.11 0.00 0.00 177.39 178.53 1a57 s ILE 88 N -4.67 2.74 -0.39 1.96 1.01 -1.18 -3.56 121.20 117.11 1a57 s ILE 88 Ca 0.41 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.56 1a57 s ILE 88 Cb 0.41 -3.29 0.07 0.00 0.01 0.00 0.00 42.46 39.66 1a57 s ILE 88 CO -0.09 0.00 0.20 0.00 0.00 0.00 0.00 174.94 175.05 1a57 s ALA 89 N -1.44 3.18 -0.52 9.38 0.00 -1.26 -0.02 121.76 131.08 1a57 s ALA 89 Ca 0.65 -2.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 1a57 s ALA 89 Cb -0.33 -2.48 0.12 0.00 0.00 0.00 0.00 23.12 20.43 1a57 s ALA 89 CO 0.40 -1.58 0.45 0.08 0.00 0.00 0.00 175.76 175.11 1a57 s VAL 90 N 1.36 4.94 0.06 0.00 1.01 -0.31 -4.22 120.40 123.25 1a57 s VAL 90 Ca 0.02 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.24 1a57 s VAL 90 Cb -0.22 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1a57 s VAL 90 CO 0.01 -0.82 0.52 -0.60 0.00 0.00 0.00 175.10 174.21 1a57 s ARG 91 N 1.54 1.07 -0.26 2.72 6.06 -1.26 -2.95 118.95 125.86 1a57 s ARG 91 Ca 0.04 -0.30 -0.02 0.00 -2.50 0.00 0.00 55.73 52.95 1a57 s ARG 91 Cb -0.29 0.49 0.14 0.00 0.06 0.00 0.00 34.95 35.36 1a57 s ARG 91 CO 0.02 -0.40 0.41 -1.83 -2.50 0.00 0.00 175.30 171.01 1a57 s GLU 92 N -2.70 0.39 -0.48 5.12 -1.05 -1.26 0.18 118.70 118.90 1a57 s GLU 92 Ca -0.04 0.53 -0.41 0.00 -0.15 0.00 0.00 54.97 54.89 1a57 s GLU 92 Cb -0.00 -0.33 -0.17 0.00 -0.44 0.00 0.00 34.13 33.19 1a57 s GLU 92 CO -0.04 -0.71 2.17 1.51 0.95 0.00 0.00 175.26 179.15 1a57 n ILE 93 N 5.37 0.04 -3.49 1.83 3.06 -0.93 -4.84 119.36 120.40 1a57 n ILE 93 Ca -0.03 -0.06 -0.42 0.00 -2.50 0.00 0.00 62.75 59.74 1a57 n ILE 93 Cb 0.50 -0.78 -0.06 0.00 0.54 0.00 0.00 39.64 39.84 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1a57 s SER 94 N 6.45 5.97 0.00 9.51 0.01 -1.24 -4.87 113.70 129.53 1a57 s SER 94 Ca 1.18 -2.31 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1a57 s SER 94 Cb -1.33 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 62.84 1a57 s SER 94 CO 0.61 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1a57 n GLY 95 N 4.39 0.37 2.71 3.44 0.00 -1.26 -4.44 105.19 110.41 1a57 n GLY 95 Ca 0.01 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.04 -3.16 1.61 0.23 -1.26 -5.00 115.26 108.72 1a57 n ASN 96 Ca 0.00 -2.51 0.06 0.00 -0.53 0.00 0.00 54.58 51.60 1a57 n ASN 96 Cb 0.00 -0.32 -0.02 0.00 -2.08 0.00 0.00 39.78 37.36 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1a57 s GLU 97 N -2.84 0.08 -0.61 -3.83 4.04 -1.26 -4.20 118.70 110.08 1a57 s GLU 97 Ca 0.26 0.14 -0.28 0.00 0.04 0.00 0.00 54.97 55.13 1a57 s GLU 97 Cb 0.42 0.08 0.03 0.00 0.02 0.00 0.00 34.13 34.68 1a57 s GLU 97 CO 0.00 -0.08 1.24 -1.17 -1.84 0.00 0.00 175.26 173.42 1a57 s LEU 98 N 2.90 3.38 0.00 1.83 0.20 -1.26 -3.66 118.68 122.07 1a57 s LEU 98 Ca -0.07 0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.77 1a57 s LEU 98 Cb -0.08 -3.03 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1a57 s LEU 98 CO -0.09 -1.59 0.15 -0.38 -0.29 0.00 0.00 176.35 174.15 1a57 n ILE 99 N 6.64 0.00 -0.05 6.68 2.08 -1.26 -4.45 119.36 129.01 1a57 n ILE 99 Ca 0.08 0.65 0.00 0.00 0.56 0.00 0.00 62.75 64.04 1a57 n ILE 99 Cb 0.49 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 1a57 n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a57 n GLN 100 N -0.22 0.00 -3.41 0.38 6.02 -1.26 -3.90 117.38 114.99 1a57 n GLN 100 Ca 0.00 0.02 -0.44 0.00 -0.01 0.00 0.00 57.00 56.56 1a57 n GLN 100 Cb 0.00 -0.03 -0.05 0.00 1.02 0.00 0.00 30.24 31.17 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1a57 s THR 101 N 0.00 4.95 0.18 5.09 2.01 -1.15 -3.39 115.64 123.33 1a57 s THR 101 Ca 0.00 -1.93 -0.31 0.00 0.31 0.00 0.00 61.69 59.76 1a57 s THR 101 Cb 0.00 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 1a57 s THR 101 CO 0.00 -0.89 1.39 -0.31 -0.69 0.00 0.00 174.62 174.13 1a57 s TYR 102 N 1.05 3.17 -0.59 4.92 2.02 -0.28 -1.17 117.35 126.48 1a57 s TYR 102 Ca 0.09 1.03 -0.08 0.00 -0.37 0.00 0.00 57.07 57.74 1a57 s TYR 102 Cb -0.23 -3.72 0.15 0.00 -0.40 0.00 0.00 41.96 37.76 1a57 s TYR 102 CO -0.01 -2.39 0.45 0.99 -1.57 0.00 0.00 175.55 173.01 1a57 s THR 103 N 0.47 4.25 -0.26 -0.71 2.01 0.97 -1.27 115.64 121.10 1a57 s THR 103 Ca 0.61 -2.34 -0.06 0.00 0.31 0.00 0.00 61.69 60.21 1a57 s THR 103 Cb -0.39 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 1a57 s THR 103 CO 0.36 -0.86 0.03 -0.47 -0.69 0.00 0.00 174.62 173.00 1a57 s TYR 104 N 0.62 3.07 -0.11 4.92 5.04 0.25 -3.39 117.35 127.76 1a57 s TYR 104 Ca 0.12 -0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 53.82 1a57 s TYR 104 Cb -0.21 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 39.93 1a57 s TYR 104 CO -0.03 -0.54 0.03 -1.91 -1.34 0.00 0.00 175.55 171.76 1a57 n GLU 105 N 4.84 -1.61 0.00 4.97 2.13 -1.25 0.72 120.64 130.43 1a57 n GLU 105 Ca -0.16 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1a57 n GLU 105 Cb 0.49 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.52 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 -0.26 0.65 3.35 8.31 0.00 -1.26 -5.13 105.19 110.85 1a57 n GLY 106 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.02 2.15 -0.79 1.61 1.01 0.22 -5.05 120.40 118.53 1a57 s VAL 107 Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.56 1a57 s VAL 107 Cb 0.00 -1.85 0.26 0.00 0.00 0.00 0.00 36.38 34.79 1a57 s VAL 107 CO 0.00 0.33 0.97 -0.62 0.00 0.00 0.00 175.10 175.78 1a57 n GLU 108 N 1.66 3.13 -3.16 2.72 4.71 -1.26 -0.58 120.64 127.85 1a57 n GLU 108 Ca -0.17 -4.63 -0.41 0.00 -0.01 0.00 0.00 57.16 51.95 1a57 n GLU 108 Cb 0.52 -2.35 -0.07 0.00 -1.01 0.00 0.00 31.44 28.54 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a57 s ALA 109 N -2.50 3.58 0.31 0.62 0.00 -0.40 -4.92 121.76 118.46 1a57 s ALA 109 Ca 0.36 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.84 1a57 s ALA 109 Cb 0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1a57 s ALA 109 CO 0.01 -0.87 0.08 0.15 0.00 0.00 0.00 175.76 175.13 1a57 s LYS 110 N 2.47 2.33 -0.31 0.00 1.02 -1.26 -1.12 119.74 122.86 1a57 s LYS 110 Ca 0.24 -1.51 -0.01 0.00 0.02 0.00 0.00 55.97 54.71 1a57 s LYS 110 Cb -0.15 -2.16 0.10 0.00 -0.52 0.00 0.00 37.83 35.10 1a57 s LYS 110 CO 0.10 0.21 0.11 1.03 -0.92 0.00 0.00 175.35 175.88 1a57 s ARG 111 N -3.77 0.64 0.03 1.68 0.52 -1.22 -4.99 118.95 111.84 1a57 s ARG 111 Ca 0.35 -1.02 -0.33 0.00 -0.52 0.00 0.00 55.73 54.21 1a57 s ARG 111 Cb -0.04 -1.86 -0.11 0.00 0.52 0.00 0.00 34.95 33.46 1a57 s ARG 111 CO 0.21 -1.00 1.84 0.44 0.02 0.00 0.00 175.30 176.81 1a57 n ILE 112 N 4.86 0.47 -4.50 1.52 -6.64 -1.26 -4.60 119.36 109.21 1a57 n ILE 112 Ca -0.02 -0.08 -0.30 0.00 -1.77 0.00 0.00 62.75 60.57 1a57 n ILE 112 Cb 0.42 -1.97 -0.06 0.00 -1.44 0.00 0.00 39.64 36.58 1a57 n ILE 112 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1a57 s PHE 113 N 3.29 1.95 0.00 4.28 0.08 -1.25 -5.06 117.98 121.26 1a57 s PHE 113 Ca 0.87 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1a57 s PHE 113 Cb -0.59 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 1a57 s PHE 113 CO 0.44 0.09 0.00 0.36 -0.10 0.00 0.00 175.22 176.01 1a57 n LYS 114 N -1.34 0.00 0.00 0.44 -0.00 -1.26 -4.53 118.16 111.47 1a57 n LYS 114 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1a57 n LYS 114 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 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 -0.21 0.81 0.00 -1.58 4.81 -1.26 -2.37 118.16 118.36 1a57 n LYS 115 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1a57 n LYS 115 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 1a57 n LYS 115 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66