#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 -0.59 -1.15 0.00 3.72 -1.26 -5.07 117.46 113.11 1a57 n PHE 2 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 1a57 n PHE 2 Cb 0.00 0.44 -0.13 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.37 -0.17 0.00 4.37 -0.08 -0.75 -4.20 116.55 113.34 1a57 n ASP 3 Ca 0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1a57 n ASP 3 Cb 0.00 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 42.84 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 4.77 0.94 3.98 0.27 0.00 -0.76 -4.95 105.19 109.44 1a57 n GLY 4 Ca 0.51 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.81 2.17 0.09 2.61 -4.23 -1.26 -1.98 115.64 111.24 1a57 s THR 5 Ca 0.00 -0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.88 1a57 s THR 5 Cb 0.00 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 1a57 s THR 5 CO 0.00 0.00 0.20 0.26 -0.54 0.00 0.00 174.62 174.54 1a57 s TRP 6 N -3.18 0.16 0.17 3.99 0.52 0.11 -4.36 118.94 116.34 1a57 s TRP 6 Ca 0.66 -0.58 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1a57 s TRP 6 Cb -0.06 -0.05 0.00 0.00 -1.15 0.00 0.00 33.47 32.21 1a57 s TRP 6 CO 0.45 -0.56 0.00 1.63 0.02 0.00 0.00 176.95 178.48 1a57 n LYS 7 N -0.08 -1.44 -2.31 4.98 5.02 -0.34 -2.77 118.16 121.23 1a57 n LYS 7 Ca -0.15 0.95 -0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1a57 n LYS 7 Cb 0.62 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.41 0.00 0.05 -0.18 3.14 -1.26 -4.43 118.33 113.24 1a57 n VAL 8 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.27 1a57 n VAL 8 Cb 0.33 -0.14 -0.08 0.00 -1.06 0.00 0.00 33.84 32.88 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1a57 h ASP 9 N -0.25 -0.16 -3.11 6.55 1.82 -1.88 -3.40 116.42 116.00 1a57 h ASP 9 Ca -0.17 -0.38 -0.69 0.00 -0.39 0.00 0.00 57.03 55.41 1a57 h ASP 9 Cb 0.53 0.04 -0.18 0.00 0.68 0.00 0.00 39.33 40.40 1a57 h ASP 9 CO 0.25 0.35 0.10 -0.13 -1.61 0.00 0.00 179.24 178.21 1a57 s ARG 10 N -3.82 3.10 -0.36 0.28 0.52 -1.26 -5.03 118.95 112.37 1a57 s ARG 10 Ca -0.14 -1.02 -0.13 0.00 -0.52 0.00 0.00 55.73 53.92 1a57 s ARG 10 Cb 0.01 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 31.32 1a57 s ARG 10 CO 0.55 -1.36 0.24 1.21 0.02 0.00 0.00 175.30 175.96 1a57 s ASN 11 N 3.05 5.96 -0.33 0.23 2.47 -1.26 -4.90 114.94 120.16 1a57 s ASN 11 Ca 0.14 -0.67 0.15 0.00 0.42 0.00 0.00 52.86 52.91 1a57 s ASN 11 Cb -0.21 -2.11 0.44 0.00 -1.45 0.00 0.00 41.25 37.92 1a57 s ASN 11 CO 0.10 -0.32 1.26 1.21 -3.72 0.00 0.00 177.10 175.63 1a57 n GLU 12 N 5.09 1.36 -0.12 0.43 2.13 -1.26 -5.11 120.64 123.16 1a57 n GLU 12 Ca -0.12 -2.36 0.00 0.00 0.66 0.00 0.00 57.16 55.33 1a57 n GLU 12 Cb 0.48 -0.54 0.00 0.00 0.27 0.00 0.00 31.44 31.65 1a57 n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1a57 n ASN 13 N -0.74 0.00 -1.39 4.31 4.13 -1.26 -4.96 115.26 115.34 1a57 n ASN 13 Ca -0.02 -0.43 0.04 0.00 1.68 0.00 0.00 54.58 55.86 1a57 n ASN 13 Cb 0.84 0.00 0.26 0.00 -1.54 0.00 0.00 39.78 39.34 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 -0.74 1.33 -2.13 3.10 0.18 -1.26 -4.96 117.16 112.69 1a57 n TYR 14 Ca 0.00 -0.46 -0.03 0.00 1.88 0.00 0.00 57.90 59.29 1a57 n TYR 14 Cb 0.00 -0.36 -0.03 0.00 -0.38 0.00 0.00 39.34 38.57 1a57 n TYR 14 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1a57 n SER 15 N 0.40 -1.95 -4.89 9.48 2.88 -1.26 -5.03 113.62 113.26 1a57 n SER 15 Ca 0.18 0.92 -0.26 0.00 -1.33 0.00 0.00 58.87 58.38 1a57 n SER 15 Cb 0.86 -3.71 -0.04 0.00 -0.75 0.00 0.00 64.21 60.57 1a57 n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1a57 s GLY 16 N -0.41 1.66 -0.03 0.46 0.00 -1.26 -5.02 107.32 102.71 1a57 s GLY 16 Ca -0.15 -1.13 -0.23 0.00 0.00 0.00 0.00 44.72 43.20 1a57 s GLY 16 CO 0.42 -1.14 1.06 0.00 0.00 0.00 0.00 173.10 173.44 1a57 h ALA 17 N 2.12 -0.20 -0.30 3.20 0.00 -2.03 -3.41 119.26 118.64 1a57 h ALA 17 Ca -0.48 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 53.93 1a57 h ALA 17 Cb 1.20 0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 1a57 h ALA 17 CO 0.66 -0.34 -0.57 1.58 0.00 0.00 0.00 179.25 180.57 1a57 n HIS 18 N -4.94 -1.69 -1.01 0.00 -0.00 -1.26 -4.89 115.22 101.42 1a57 n HIS 18 Ca -0.08 -2.22 0.06 0.00 -0.00 0.00 0.00 57.72 55.48 1a57 n HIS 18 Cb 0.27 1.12 0.30 0.00 -0.00 0.00 0.00 29.99 31.68 1a57 n HIS 18 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1a57 n ASP 19 N -0.31 4.45 -4.60 0.26 8.00 -1.26 -4.44 116.55 118.65 1a57 n ASP 19 Ca 0.02 -3.07 -0.40 0.00 0.71 0.00 0.00 54.79 52.05 1a57 n ASP 19 Cb 0.81 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 1a57 n ASP 19 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1a57 s ASN 20 N -1.55 6.37 0.32 -2.24 3.84 -1.26 -5.03 114.94 115.40 1a57 s ASN 20 Ca 0.47 0.37 0.09 0.00 0.21 0.00 0.00 52.86 54.01 1a57 s ASN 20 Cb 0.38 -2.26 -0.05 0.00 -0.55 0.00 0.00 41.25 38.77 1a57 s ASN 20 CO 0.11 -0.30 0.05 -0.76 -2.79 0.00 0.00 177.10 173.41 1a57 s LEU 21 N 2.28 3.15 -0.19 3.21 1.02 -1.26 -4.65 118.68 122.23 1a57 s LEU 21 Ca 0.19 -0.81 -0.30 0.00 0.02 0.00 0.00 54.13 53.24 1a57 s LEU 21 Cb -0.16 -1.60 0.14 0.00 0.02 0.00 0.00 46.19 44.60 1a57 s LEU 21 CO 0.10 -0.19 1.10 -1.59 0.02 0.00 0.00 176.35 175.79 1a57 s LYS 22 N -3.75 0.44 0.23 1.70 -2.85 -1.26 -4.51 119.74 109.74 1a57 s LYS 22 Ca 0.35 0.09 0.10 0.00 -1.00 0.00 0.00 55.97 55.51 1a57 s LYS 22 Cb -0.03 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1a57 s LYS 22 CO 0.21 -0.14 -0.09 -0.51 0.10 0.00 0.00 175.35 174.91 1a57 s LEU 23 N -1.15 2.94 0.00 2.77 1.43 -1.11 -1.90 118.68 121.66 1a57 s LEU 23 Ca 0.02 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1a57 s LEU 23 Cb -0.01 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1a57 s LEU 23 CO -0.01 0.06 0.00 0.41 0.23 0.00 0.00 176.35 177.04 1a57 n THR 24 N -0.35 0.00 -3.92 5.49 -1.04 -1.26 0.05 114.28 113.24 1a57 n THR 24 Ca -0.09 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 1a57 n THR 24 Cb 0.57 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.94 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 2.98 -0.49 12.58 1.09 -0.84 -3.45 121.20 133.07 1a57 s ILE 25 Ca 0.00 -1.21 0.06 0.00 -1.10 0.00 0.00 60.65 58.41 1a57 s ILE 25 Cb 0.00 -2.62 0.19 0.00 -1.06 0.00 0.00 42.46 38.96 1a57 s ILE 25 CO 0.00 0.03 0.64 0.41 -0.10 0.00 0.00 174.94 175.92 1a57 n THR 26 N 4.65 -0.30 0.00 2.92 -1.04 -1.26 -1.81 114.28 117.44 1a57 n THR 26 Ca -0.15 -1.61 0.00 0.00 -2.04 0.00 0.00 64.05 60.25 1a57 n THR 26 Cb 0.45 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 2.87 0.00 0.00 -2.82 1.13 -1.26 -4.96 117.38 112.34 1a57 n GLN 27 Ca 0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1a57 n GLN 27 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 1a57 n GLN 27 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1a57 n GLU 28 N 0.00 1.99 0.00 -1.09 1.02 -1.24 -4.90 120.64 116.42 1a57 n GLU 28 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1a57 n GLU 28 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a57 n GLY 29 N 0.31 1.30 0.00 0.62 0.00 -1.26 -4.77 105.19 101.39 1a57 n GLY 29 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.85 -5.02 1.61 4.13 -1.26 -5.02 115.26 114.55 1a57 n ASN 30 Ca 0.00 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.05 1a57 n ASN 30 Cb 0.00 0.74 0.05 0.00 -1.54 0.00 0.00 39.78 39.03 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1a57 s LYS 31 N -2.03 2.28 -0.30 3.52 1.02 -1.26 -3.54 119.74 119.44 1a57 s LYS 31 Ca -0.00 -1.72 -0.24 0.00 0.02 0.00 0.00 55.97 54.03 1a57 s LYS 31 Cb 0.00 -2.56 0.18 0.00 -0.52 0.00 0.00 37.83 34.94 1a57 s LYS 31 CO 0.03 -0.84 1.36 -0.06 -0.92 0.00 0.00 175.35 174.91 1a57 s PHE 32 N -2.70 -0.14 -0.12 3.18 0.08 -1.08 -3.71 117.98 113.49 1a57 s PHE 32 Ca 0.58 0.33 -0.00 0.00 0.12 0.00 0.00 56.93 57.95 1a57 s PHE 32 Cb -0.05 0.44 0.02 0.00 -0.57 0.00 0.00 43.02 42.86 1a57 s PHE 32 CO 0.36 -0.07 -0.09 0.99 -0.10 0.00 0.00 175.22 176.32 1a57 s THR 33 N 0.13 1.12 -0.08 0.64 2.01 -1.26 -1.12 115.64 117.09 1a57 s THR 33 Ca 0.06 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.45 1a57 s THR 33 Cb -0.05 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1a57 s THR 33 CO -0.14 0.38 0.79 -0.69 -0.69 0.00 0.00 174.62 174.27 1a57 s VAL 34 N 1.67 4.97 -1.11 3.82 1.01 -1.18 -4.01 120.40 125.56 1a57 s VAL 34 Ca 0.05 1.63 0.11 0.00 0.00 0.00 0.00 61.98 63.77 1a57 s VAL 34 Cb -0.13 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.25 1a57 s VAL 34 CO -0.09 0.18 1.34 1.17 0.00 0.00 0.00 175.10 177.70 1a57 n LYS 35 N 4.16 0.04 -0.63 2.72 4.81 -1.22 -3.51 118.16 124.53 1a57 n LYS 35 Ca 0.02 0.27 -0.07 0.00 -0.87 0.00 0.00 58.31 57.66 1a57 n LYS 35 Cb 0.51 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.98 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 -1.44 0.00 -2.32 1.64 2.13 -0.88 -4.49 120.64 115.27 1a57 n GLU 36 Ca 0.03 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.54 1a57 n GLU 36 Cb 0.12 -0.47 -0.02 0.00 0.27 0.00 0.00 31.44 31.34 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 0.00 6.53 0.00 4.31 0.15 -0.80 -4.68 113.70 119.22 1a57 s SER 37 Ca 0.43 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1a57 s SER 37 Cb -0.28 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1a57 s SER 37 CO 0.19 -0.63 0.00 -0.24 1.20 0.00 0.00 173.24 173.75 1a57 n SER 38 N -1.81 0.34 -0.09 5.45 2.88 -0.22 -4.59 113.62 115.59 1a57 n SER 38 Ca 0.06 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1a57 n SER 38 Cb 0.54 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.53 0.33 -3.46 4.13 -1.26 -4.44 115.26 111.09 1a57 n ASN 39 Ca 0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 1a57 n ASN 39 Cb 0.00 0.99 -0.06 0.00 -1.54 0.00 0.00 39.78 39.16 1a57 n ASN 39 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1a57 h PHE 40 N 0.00 -0.82 -1.33 3.10 0.04 -1.97 -3.47 116.94 112.49 1a57 h PHE 40 Ca -0.47 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1a57 h PHE 40 Cb 2.06 0.27 0.00 0.00 2.20 0.00 0.00 35.95 40.48 1a57 h PHE 40 CO 0.00 -0.51 0.00 2.89 -0.60 0.00 0.00 178.31 180.09 1a57 n ARG 41 N -5.22 0.00 0.13 1.51 -4.01 -1.26 -5.02 116.66 102.79 1a57 n ARG 41 Ca -0.11 0.00 0.13 0.00 -1.04 0.00 0.00 57.85 56.83 1a57 n ARG 41 Cb 0.35 0.00 0.30 0.00 -3.04 0.00 0.00 32.46 30.06 1a57 n ARG 41 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1a57 h ASN 42 N 0.00 0.00 -0.53 2.89 2.35 -1.93 -0.56 115.58 117.80 1a57 h ASN 42 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 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 0.01 -0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1a57 n ILE 43 N -2.50 -0.00 -3.19 2.81 3.06 -1.26 -3.91 119.36 114.36 1a57 n ILE 43 Ca 0.05 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.99 1a57 n ILE 43 Cb 0.46 -0.01 -0.05 0.00 0.54 0.00 0.00 39.64 40.59 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 -0.00 6.60 -0.44 9.51 -4.77 -1.26 -4.70 116.67 121.61 1a57 s ASP 44 Ca 0.00 1.02 0.02 0.00 -3.30 0.00 0.00 52.55 50.29 1a57 s ASP 44 Cb 0.00 -2.27 0.13 0.00 -1.09 0.00 0.00 42.92 39.69 1a57 s ASP 44 CO 0.00 -0.21 0.22 -0.69 0.70 0.00 0.00 175.17 175.19 1a57 s VAL 45 N -2.05 1.71 0.37 2.11 1.01 -1.23 -5.01 120.40 117.31 1a57 s VAL 45 Ca 0.49 -2.62 -0.02 0.00 0.00 0.00 0.00 61.98 59.83 1a57 s VAL 45 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1a57 s VAL 45 CO 0.24 -0.83 0.61 0.54 0.00 0.00 0.00 175.10 175.66 1a57 s VAL 46 N 0.36 5.04 0.27 2.92 0.11 -1.26 -3.13 120.40 124.71 1a57 s VAL 46 Ca 0.16 -0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1a57 s VAL 46 Cb -0.24 -3.84 0.03 0.00 -1.53 0.00 0.00 36.38 30.80 1a57 s VAL 46 CO -0.03 -0.58 0.46 2.22 -3.33 0.00 0.00 175.10 173.85 1a57 n PHE 47 N -1.73 -1.60 -2.12 1.54 -1.74 -0.27 -5.00 117.46 106.54 1a57 n PHE 47 Ca -0.03 -1.50 0.02 0.00 -0.56 0.00 0.00 57.45 55.38 1a57 n PHE 47 Cb 0.55 0.54 0.10 0.00 1.52 0.00 0.00 39.48 42.19 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1a57 n GLU 48 N -0.40 1.07 -2.66 3.97 2.13 -1.26 -2.65 120.64 120.84 1a57 n GLU 48 Ca -0.03 -2.82 -0.05 0.00 0.66 0.00 0.00 57.16 54.91 1a57 n GLU 48 Cb 0.42 -0.97 -0.04 0.00 0.27 0.00 0.00 31.44 31.12 1a57 n GLU 48 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1a57 n LEU 49 N -0.35 -6.10 -0.75 4.31 4.32 -1.23 -4.73 117.00 112.48 1a57 n LEU 49 Ca 0.14 2.16 0.00 0.00 -0.02 0.00 0.00 56.01 58.29 1a57 n LEU 49 Cb 0.92 -3.13 0.00 0.00 -1.62 0.00 0.00 43.42 39.59 1a57 n LEU 49 CO 0.00 -3.93 0.00 0.61 -1.22 0.00 0.00 177.39 172.86 1a57 n GLY 50 N 1.76 0.56 2.71 -0.72 0.00 0.46 -4.92 105.19 105.03 1a57 n GLY 50 Ca -0.37 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.42 0.58 0.35 1.61 1.01 -1.22 -5.02 120.40 115.29 1a57 s VAL 51 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1a57 s VAL 51 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 1a57 s VAL 51 CO 0.00 -0.46 0.96 1.51 0.00 0.00 0.00 175.10 177.11 1a57 s ASP 52 N 1.80 7.17 -0.20 3.32 1.47 -1.26 -4.45 116.67 124.53 1a57 s ASP 52 Ca 0.04 1.85 -0.08 0.00 1.18 0.00 0.00 52.55 55.54 1a57 s ASP 52 Cb -0.17 -2.57 0.08 0.00 -0.34 0.00 0.00 42.92 39.92 1a57 s ASP 52 CO -0.19 -0.19 0.44 0.72 0.68 0.00 0.00 175.17 176.63 1a57 s PHE 53 N -1.72 -0.76 -1.19 2.11 -0.12 -0.69 -4.99 117.98 110.62 1a57 s PHE 53 Ca 0.53 1.50 -0.09 0.00 -0.05 0.00 0.00 56.93 58.82 1a57 s PHE 53 Cb -0.18 0.32 0.22 0.00 -0.63 0.00 0.00 43.02 42.76 1a57 s PHE 53 CO 0.23 -0.44 1.58 0.00 -0.05 0.00 0.00 175.22 176.54 1a57 n ALA 54 N 4.94 4.86 -2.62 1.99 0.00 -1.26 -3.72 120.51 124.70 1a57 n ALA 54 Ca -0.14 -4.48 -0.38 0.00 0.00 0.00 0.00 53.44 48.44 1a57 n ALA 54 Cb 0.52 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 1a57 n ALA 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a57 s TYR 55 N -0.41 3.26 -0.29 0.00 6.14 -1.17 -4.99 117.35 119.89 1a57 s TYR 55 Ca 0.37 0.23 -0.29 0.00 0.64 0.00 0.00 57.07 58.02 1a57 s TYR 55 Cb 0.03 -2.39 -0.00 0.00 0.42 0.00 0.00 41.96 40.02 1a57 s TYR 55 CO 0.02 -0.10 1.37 0.45 0.64 0.00 0.00 175.55 177.93 1a57 s SER 56 N 1.50 6.60 0.19 4.32 0.15 -1.26 -3.28 113.70 121.92 1a57 s SER 56 Ca 0.09 1.28 0.07 0.00 0.70 0.00 0.00 55.95 58.10 1a57 s SER 56 Cb -0.15 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1a57 s SER 56 CO 0.09 -1.13 0.05 -0.76 1.20 0.00 0.00 173.24 172.69 1a57 s LEU 57 N 4.59 3.46 -1.41 3.45 1.02 0.30 -4.55 118.68 125.53 1a57 s LEU 57 Ca 0.60 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.39 1a57 s LEU 57 Cb -0.18 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 43.95 1a57 s LEU 57 CO 0.25 0.06 0.00 0.00 0.02 0.00 0.00 176.35 176.68 1a57 n ALA 58 N -0.38 -0.37 -4.16 4.21 0.00 -1.26 -0.85 120.51 117.70 1a57 n ALA 58 Ca -0.09 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1a57 n ALA 58 Cb 0.56 -1.52 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 1a57 n ALA 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a57 n ASP 59 N -0.97 -1.65 0.18 0.00 -0.08 -1.26 -4.31 116.55 108.47 1a57 n ASP 59 Ca -0.15 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.15 1a57 n ASP 59 Cb 0.51 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.51 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a57 n GLY 60 N -0.96 -1.26 3.80 0.27 0.00 -0.97 -5.13 105.19 100.94 1a57 n GLY 60 Ca 0.10 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 4.03 -0.40 2.61 -4.23 -0.03 -4.83 115.64 110.79 1a57 s THR 61 Ca 0.00 1.30 0.09 0.00 -1.18 0.00 0.00 61.69 61.90 1a57 s THR 61 Cb 0.00 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.58 1a57 s THR 61 CO 0.00 -0.24 0.66 -0.62 -0.54 0.00 0.00 174.62 173.88 1a57 n GLU 62 N -0.71 0.82 -1.65 3.99 1.02 -1.26 0.11 120.64 122.96 1a57 n GLU 62 Ca 0.08 -3.04 -0.43 0.00 -0.02 0.00 0.00 57.16 53.75 1a57 n GLU 62 Cb 0.53 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1a57 n GLU 62 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a57 n LEU 63 N 1.02 3.87 -3.99 -4.62 4.32 -1.20 -3.79 117.00 112.60 1a57 n LEU 63 Ca 0.20 0.75 -0.31 0.00 -0.02 0.00 0.00 56.01 56.63 1a57 n LEU 63 Cb 0.59 -1.51 -0.15 0.00 -1.62 0.00 0.00 43.42 40.73 1a57 n LEU 63 CO 0.17 -0.03 -0.43 -0.89 -1.22 0.00 0.00 177.39 174.98 1a57 s THR 64 N 5.33 1.77 -0.29 -5.08 2.01 -1.26 -3.04 115.64 115.09 1a57 s THR 64 Ca 0.92 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1a57 s THR 64 Cb -0.45 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1a57 s THR 64 CO 0.42 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1a57 n GLY 65 N 4.57 -0.88 3.64 4.40 0.00 -1.24 -3.86 105.19 111.82 1a57 n GLY 65 Ca -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.00 0.00 0.01 2.61 -1.32 0.70 -1.71 115.64 111.93 1a57 s THR 66 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1a57 s THR 66 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1a57 s THR 66 CO 0.00 0.00 0.01 0.26 -2.21 0.00 0.00 174.62 172.68 1a57 s TRP 67 N -0.09 3.09 -0.12 9.09 0.23 -1.26 -3.08 118.94 126.81 1a57 s TRP 67 Ca 0.06 0.08 0.14 0.00 -2.03 0.00 0.00 56.10 54.36 1a57 s TRP 67 Cb -0.04 -1.66 0.31 0.00 0.03 0.00 0.00 33.47 32.11 1a57 s TRP 67 CO -0.12 0.47 1.15 0.25 0.96 0.00 0.00 176.95 179.66 1a57 n THR 68 N 1.26 1.38 0.00 2.01 -2.24 -1.24 -0.40 114.28 115.05 1a57 n THR 68 Ca -0.14 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.60 1a57 n THR 68 Cb 0.53 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.77 0.00 -1.89 -0.78 1.56 -1.26 -4.76 117.12 109.22 1a57 n MET 69 Ca 0.13 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.54 1a57 n MET 69 Cb 0.75 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 36.12 1a57 n MET 69 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1a57 n GLU 70 N 0.24 1.62 -1.57 2.12 4.71 -1.26 -5.00 120.64 121.50 1a57 n GLU 70 Ca 0.00 -0.27 -0.40 0.00 -0.01 0.00 0.00 57.16 56.47 1a57 n GLU 70 Cb 0.00 0.05 -0.03 0.00 -1.01 0.00 0.00 31.44 30.44 1a57 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a57 n GLY 71 N 4.51 0.64 4.18 0.62 0.00 -1.26 -2.55 105.19 111.33 1a57 n GLY 71 Ca -0.01 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.35 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 13.40 -1.82 -1.97 1.61 3.02 -1.26 -4.94 115.26 123.30 1a57 n ASN 72 Ca 0.34 -1.28 -0.08 0.00 -0.03 0.00 0.00 54.58 53.52 1a57 n ASN 72 Cb 0.48 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 1a57 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a57 n LYS 73 N -4.83 0.18 -1.09 3.52 4.76 -1.06 -3.48 118.16 116.18 1a57 n LYS 73 Ca -0.20 -1.45 -0.06 0.00 -2.87 0.00 0.00 58.31 53.72 1a57 n LYS 73 Cb 0.61 1.20 -0.05 0.00 -1.84 0.00 0.00 35.03 34.95 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 -0.98 -4.75 -0.35 4.77 0.43 -4.25 117.00 111.87 1a57 n LEU 74 Ca 0.03 -1.98 -0.42 0.00 -0.03 0.00 0.00 56.01 53.61 1a57 n LEU 74 Cb 0.26 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1a57 n LEU 74 CO 0.14 1.47 1.18 0.52 -1.33 0.00 0.00 177.39 179.36 1a57 n VAL 75 N -0.10 1.43 0.00 4.08 0.31 -1.26 -4.40 118.33 118.39 1a57 n VAL 75 Ca -0.26 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1a57 n VAL 75 Cb 0.69 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1a57 n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a57 n GLY 76 N 1.46 -0.21 3.87 2.92 0.00 -1.26 -3.63 105.19 108.34 1a57 n GLY 76 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.99 0.25 -0.02 1.61 2.20 -1.18 -4.63 119.74 115.99 1a57 s LYS 77 Ca 0.00 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 1a57 s LYS 77 Cb 0.00 0.07 0.12 0.00 -1.51 0.00 0.00 37.83 36.51 1a57 s LYS 77 CO 0.00 -0.12 1.30 -0.06 -0.36 0.00 0.00 175.35 176.11 1a57 s PHE 78 N -2.09 -0.02 0.00 4.03 0.08 -1.25 -0.22 117.98 118.52 1a57 s PHE 78 Ca 0.25 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1a57 s PHE 78 Cb 0.02 0.55 0.00 0.00 -0.57 0.00 0.00 43.02 43.02 1a57 s PHE 78 CO -0.03 -0.26 0.00 1.17 -0.10 0.00 0.00 175.22 176.00 1a57 n LYS 79 N -0.60 0.00 0.00 0.44 4.81 -1.25 -0.76 118.16 120.79 1a57 n LYS 79 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1a57 n LYS 79 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 1a57 n LYS 79 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1a57 n ARG 80 N 0.00 0.00 -1.38 1.64 1.85 -1.23 -3.33 116.66 114.21 1a57 n ARG 80 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 1a57 n ARG 80 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 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 0.00 0.00 0.00 8.89 0.31 -1.25 -0.91 118.33 125.37 1a57 n VAL 81 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1a57 n VAL 81 Cb 0.00 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 6.25 0.00 0.00 4.52 2.03 -1.26 -4.79 116.55 123.30 1a57 n ASP 82 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1a57 n ASP 82 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.00 0.00 -0.10 1.67 6.94 -0.09 -5.01 115.26 118.68 1a57 n ASN 83 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 1a57 n ASN 83 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a57 n GLY 84 N 0.00 -0.61 3.83 4.83 0.00 -1.07 -5.09 105.19 107.08 1a57 n GLY 84 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.93 -0.32 -0.99 1.61 3.00 -1.25 -4.91 118.16 112.38 1a57 n LYS 85 Ca -0.36 0.21 -0.33 0.00 -0.00 0.00 0.00 58.31 57.83 1a57 n LYS 85 Cb 1.02 -0.39 -0.02 0.00 0.00 0.00 0.00 35.03 35.64 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 -1.07 0.00 -2.33 1.64 1.02 -1.26 -3.51 120.64 115.13 1a57 n GLU 86 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1a57 n GLU 86 Cb 0.07 -0.72 0.06 0.00 -0.02 0.00 0.00 31.44 30.83 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 1.51 -0.05 -4.73 -4.62 4.77 0.06 -3.80 117.00 110.14 1a57 n LEU 87 Ca 0.12 -2.81 -0.35 0.00 -0.03 0.00 0.00 56.01 52.93 1a57 n LEU 87 Cb 0.21 0.20 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1a57 n LEU 87 CO 0.40 1.30 0.83 -0.63 -1.33 0.00 0.00 177.39 177.96 1a57 s ILE 88 N -1.24 2.28 -0.52 -0.08 1.01 -1.19 -4.34 121.20 117.12 1a57 s ILE 88 Ca 0.17 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1a57 s ILE 88 Cb 0.33 -2.86 0.14 0.00 0.01 0.00 0.00 42.46 40.08 1a57 s ILE 88 CO -0.09 -0.06 0.31 0.00 0.00 0.00 0.00 174.94 175.10 1a57 s ALA 89 N -1.76 2.86 -0.52 9.38 0.00 -1.26 0.17 121.76 130.63 1a57 s ALA 89 Ca 0.77 -3.09 -0.26 0.00 0.00 0.00 0.00 51.96 49.38 1a57 s ALA 89 Cb -0.32 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1a57 s ALA 89 CO 0.42 -2.05 1.00 0.08 0.00 0.00 0.00 175.76 175.20 1a57 s VAL 90 N -0.28 4.34 0.03 0.00 1.01 -0.18 -4.15 120.40 121.17 1a57 s VAL 90 Ca 0.20 0.65 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 1a57 s VAL 90 Cb -0.19 -4.54 0.09 0.00 0.00 0.00 0.00 36.38 31.75 1a57 s VAL 90 CO -0.05 -1.04 0.98 -0.60 0.00 0.00 0.00 175.10 174.39 1a57 s ARG 91 N 4.09 0.86 -0.11 2.72 6.06 -1.26 -3.88 118.95 127.44 1a57 s ARG 91 Ca 0.37 -0.40 -0.16 0.00 -2.50 0.00 0.00 55.73 53.04 1a57 s ARG 91 Cb -0.10 0.34 0.04 0.00 0.06 0.00 0.00 34.95 35.29 1a57 s ARG 91 CO 0.24 -0.38 0.41 -1.83 -2.50 0.00 0.00 175.30 171.24 1a57 s GLU 92 N -3.05 0.59 -0.97 5.12 -1.05 -1.26 0.16 118.70 118.25 1a57 s GLU 92 Ca 0.09 0.34 -0.25 0.00 -0.15 0.00 0.00 54.97 55.00 1a57 s GLU 92 Cb -0.01 0.28 -0.21 0.00 -0.44 0.00 0.00 34.13 33.75 1a57 s GLU 92 CO -0.04 -0.12 2.09 -0.89 0.95 0.00 0.00 175.26 177.25 1a57 n ILE 93 N 2.25 0.00 0.00 1.83 2.08 -1.23 -4.73 119.36 119.56 1a57 n ILE 93 Ca -0.16 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1a57 n ILE 93 Cb 0.57 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 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 18.65 0.00 0.00 4.38 2.88 -1.17 -4.71 113.62 133.64 1a57 n SER 94 Ca 0.40 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1a57 n SER 94 Cb 0.46 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.86 1.11 0.86 0.46 0.00 -1.26 -4.86 105.19 100.63 1a57 n GLY 95 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 2.90 -3.65 1.61 4.13 -1.26 -4.97 115.26 114.02 1a57 n ASN 96 Ca 0.00 -3.41 -0.09 0.00 1.68 0.00 0.00 54.58 52.76 1a57 n ASN 96 Cb 0.00 -0.56 -0.02 0.00 -1.54 0.00 0.00 39.78 37.66 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 -3.04 1.54 -0.22 3.52 4.04 -1.26 -4.56 118.70 118.72 1a57 s GLU 97 Ca 0.41 -0.74 -0.04 0.00 0.04 0.00 0.00 54.97 54.63 1a57 s GLU 97 Cb 0.36 0.60 -0.01 0.00 0.02 0.00 0.00 34.13 35.10 1a57 s GLU 97 CO 0.03 -0.69 -0.02 -1.17 -1.84 0.00 0.00 175.26 171.57 1a57 s LEU 98 N -2.84 3.04 -0.03 1.83 0.20 -1.26 -3.05 118.68 116.57 1a57 s LEU 98 Ca 0.06 -0.33 -0.21 0.00 0.69 0.00 0.00 54.13 54.35 1a57 s LEU 98 Cb -0.04 -1.78 -0.14 0.00 -0.43 0.00 0.00 46.19 43.80 1a57 s LEU 98 CO -0.03 -0.00 0.91 0.40 -0.29 0.00 0.00 176.35 177.34 1a57 h ILE 99 N 5.61 0.61 -3.20 6.68 2.04 -1.85 -3.16 117.51 124.24 1a57 h ILE 99 Ca -0.39 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1a57 h ILE 99 Cb 1.17 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1a57 h ILE 99 CO 0.60 0.14 -0.41 1.67 0.00 0.00 0.00 178.15 180.16 1a57 n GLN 100 N -5.03 -1.60 -3.62 2.37 0.00 -1.26 -1.42 117.38 106.83 1a57 n GLN 100 Ca -0.08 1.51 -0.39 0.00 -0.00 0.00 0.00 57.00 58.04 1a57 n GLN 100 Cb 0.26 -2.06 -0.08 0.00 0.00 0.00 0.00 30.24 28.36 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1a57 s THR 101 N -0.20 4.19 0.01 1.69 2.01 -1.25 -2.79 115.64 119.29 1a57 s THR 101 Ca -0.04 -2.77 -0.30 0.00 0.31 0.00 0.00 61.69 58.89 1a57 s THR 101 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1a57 s THR 101 CO 0.11 -0.91 1.39 -0.31 -0.69 0.00 0.00 174.62 174.22 1a57 s TYR 102 N 0.08 2.89 -1.14 4.92 2.02 -1.00 -1.01 117.35 124.11 1a57 s TYR 102 Ca 0.16 0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 57.66 1a57 s TYR 102 Cb -0.18 -3.65 0.26 0.00 -0.40 0.00 0.00 41.96 37.98 1a57 s TYR 102 CO -0.05 -2.40 1.70 2.41 -1.57 0.00 0.00 175.55 175.65 1a57 n THR 103 N 4.61 5.19 -1.32 -0.71 -1.04 0.45 -3.30 114.28 118.16 1a57 n THR 103 Ca 0.13 -5.43 -0.33 0.00 -2.04 0.00 0.00 64.05 56.38 1a57 n THR 103 Cb 0.44 -2.08 0.10 0.00 -1.82 0.00 0.00 70.33 66.97 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 -2.06 2.19 -0.62 -1.42 6.14 -1.21 -4.01 117.35 116.36 1a57 s TYR 104 Ca 0.36 1.62 -0.33 0.00 0.64 0.00 0.00 57.07 59.36 1a57 s TYR 104 Cb 0.09 -3.30 -0.15 0.00 0.42 0.00 0.00 41.96 39.02 1a57 s TYR 104 CO 0.04 -2.29 2.40 -1.91 0.64 0.00 0.00 175.55 174.43 1a57 n GLU 105 N -3.13 0.57 -0.64 4.97 4.07 -1.25 -0.07 120.64 125.16 1a57 n GLU 105 Ca 0.12 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 1a57 n GLU 105 Cb 0.52 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.67 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a57 n GLY 106 N 6.55 0.79 3.25 8.31 0.00 -1.26 -5.00 105.19 117.83 1a57 n GLY 106 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.05 0.33 -0.37 1.61 1.01 0.89 -5.07 120.40 115.75 1a57 s VAL 107 Ca 0.00 -1.99 0.12 0.00 0.00 0.00 0.00 61.98 60.11 1a57 s VAL 107 Cb 0.00 -2.50 0.36 0.00 0.00 0.00 0.00 36.38 34.24 1a57 s VAL 107 CO 0.00 -0.07 0.83 1.21 0.00 0.00 0.00 175.10 177.07 1a57 n GLU 108 N -0.35 1.01 -3.83 2.72 2.13 -1.26 -3.29 120.64 117.77 1a57 n GLU 108 Ca -0.00 -3.13 -0.29 0.00 0.66 0.00 0.00 57.16 54.40 1a57 n GLU 108 Cb 0.66 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.83 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a57 s ALA 109 N -2.12 3.92 0.00 4.31 0.00 -1.21 -4.98 121.76 121.68 1a57 s ALA 109 Ca 0.35 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1a57 s ALA 109 Cb 0.36 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1a57 s ALA 109 CO -0.06 0.62 0.00 1.63 0.00 0.00 0.00 175.76 177.96 1a57 n LYS 110 N -0.22 2.86 0.10 0.00 5.02 -1.26 -2.38 118.16 122.28 1a57 n LYS 110 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1a57 n LYS 110 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1a57 n LYS 110 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1a57 n ARG 111 N -0.16 0.00 -0.47 1.97 3.00 -1.12 -4.87 116.66 115.00 1a57 n ARG 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a57 n ARG 111 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.37 1a57 n ARG 111 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1a57 n ILE 112 N -3.28 -1.31 -4.22 5.15 5.41 -0.51 -5.07 119.36 115.52 1a57 n ILE 112 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 1a57 n ILE 112 Cb 0.02 -1.60 -0.07 0.00 -0.71 0.00 0.00 39.64 37.28 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 1.57 0.00 1.39 0.08 -1.19 -5.01 117.98 114.82 1a57 s PHE 113 Ca 0.00 -1.57 0.00 0.00 0.12 0.00 0.00 56.93 55.48 1a57 s PHE 113 Cb 0.00 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.93 1a57 s PHE 113 CO 0.00 -0.98 0.00 0.36 -0.10 0.00 0.00 175.22 174.50 1a57 n LYS 114 N -0.62 0.00 -4.35 0.44 0.00 -1.26 -4.22 118.16 108.15 1a57 n LYS 114 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.12 1a57 n LYS 114 Cb 0.62 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.53 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 0.72 1.30 0.00 -1.58 2.20 -1.26 -1.19 119.74 119.93 1a57 s LYS 115 Ca 0.00 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1a57 s LYS 115 Cb 0.00 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 34.77 1a57 s LYS 115 CO 0.00 0.34 0.00 -0.85 -0.36 0.00 0.00 175.35 174.48