#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pla s GLU 2 N 0.00 1.39 0.16 0.00 2.02 -1.26 -1.86 118.70 119.14 1pla s GLU 2 Ca 0.00 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1pla s GLU 2 Cb 0.00 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 1pla s GLU 2 CO 0.00 -0.20 0.31 0.08 0.02 0.00 0.00 175.26 175.46 1pla s VAL 3 N 1.49 5.30 -0.28 2.63 1.01 -0.19 -4.58 120.40 125.77 1pla s VAL 3 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1pla s VAL 3 Cb -0.13 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1pla s VAL 3 CO -0.05 -0.09 -0.06 -0.54 0.00 0.00 0.00 175.10 174.36 1pla s LYS 4 N -3.20 1.95 -0.37 2.72 1.02 0.13 0.03 119.74 122.01 1pla s LYS 4 Ca 0.36 -1.47 -0.29 0.00 0.02 0.00 0.00 55.97 54.58 1pla s LYS 4 Cb -0.11 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 1pla s LYS 4 CO 0.29 -0.69 1.40 -0.51 -0.92 0.00 0.00 175.35 174.92 1pla s LEU 5 N 1.07 3.67 0.00 3.17 1.43 0.46 -2.56 118.68 125.92 1pla s LEU 5 Ca -0.03 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1pla s LEU 5 Cb -0.20 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1pla s LEU 5 CO -0.06 -1.35 0.00 0.61 0.23 0.00 0.00 176.35 175.78 1pla n GLY 6 N 4.89 3.01 0.00 -3.19 0.00 -1.07 -1.56 105.19 107.27 1pla n GLY 6 Ca 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1pla n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pla n SER 7 N 0.00 0.00 0.00 1.61 3.41 0.71 -4.71 113.62 114.64 1pla n SER 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pla n SER 7 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pla n SER 7 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pla n ASP 8 N 0.00 0.00 0.00 4.04 8.00 -1.26 -4.88 116.55 122.45 1pla n ASP 8 Ca 0.00 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1pla n ASP 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1pla n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1pla n ASP 9 N 0.00 0.00 0.00 -2.24 5.68 -1.26 -5.05 116.55 113.68 1pla n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1pla n ASP 9 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1pla n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pla n GLY 10 N 0.00 -1.92 3.61 6.12 0.00 -1.26 -5.17 105.19 106.57 1pla n GLY 10 Ca 0.00 0.90 -0.07 0.00 0.00 0.00 0.00 46.02 46.85 1pla n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pla s GLY 11 N 0.00 -0.09 -0.36 -0.02 0.00 -1.26 -4.97 107.32 100.62 1pla s GLY 11 Ca 0.00 2.49 0.03 0.00 0.00 0.00 0.00 44.72 47.24 1pla s GLY 11 CO 0.00 1.22 0.09 1.08 0.00 0.00 0.00 173.10 175.49 1pla s LEU 12 N -0.83 4.80 0.05 0.66 1.43 -1.26 -0.21 118.68 123.32 1pla s LEU 12 Ca 0.03 -2.21 -0.15 0.00 -1.03 0.00 0.00 54.13 50.78 1pla s LEU 12 Cb -0.01 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1pla s LEU 12 CO -0.04 -0.39 0.33 0.68 0.23 0.00 0.00 176.35 177.16 1pla s VAL 13 N 0.84 0.08 -0.47 -1.59 -7.23 -1.26 -4.22 120.40 106.55 1pla s VAL 13 Ca 0.11 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 1pla s VAL 13 Cb -0.20 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.79 1pla s VAL 13 CO -0.07 -0.35 1.21 -0.36 -0.31 0.00 0.00 175.10 175.22 1pla s PHE 14 N -2.69 2.69 -0.31 2.82 0.40 -1.26 -2.59 117.98 117.04 1pla s PHE 14 Ca -0.04 0.69 -0.01 0.00 -0.60 0.00 0.00 56.93 56.97 1pla s PHE 14 Cb -0.00 -4.42 0.06 0.00 0.51 0.00 0.00 43.02 39.17 1pla s PHE 14 CO -0.04 -1.47 0.02 -1.12 0.70 0.00 0.00 175.22 173.30 1pla s SER 15 N 2.88 4.89 1.22 1.36 0.01 -1.06 -0.35 113.70 122.64 1pla s SER 15 Ca 0.51 -1.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.17 1pla s SER 15 Cb -0.09 -1.71 0.29 0.00 0.21 0.00 0.00 66.02 64.73 1pla s SER 15 CO 0.32 -0.29 1.05 -2.84 0.41 0.00 0.00 173.24 171.88 1pla s PRO 16 N 1.21 -1.33 -0.03 12.44 0.02 -1.26 0.17 135.00 146.22 1pla s PRO 16 Ca -0.03 0.24 -0.03 0.00 0.02 0.00 0.00 61.00 61.20 1pla s PRO 16 Cb -0.20 -1.56 -0.01 0.00 0.02 0.00 0.00 34.50 32.75 1pla s PRO 16 CO -0.02 -3.85 -0.06 0.45 -0.33 0.00 0.00 177.00 173.19 1pla n SER 17 N -4.91 0.39 -4.63 2.53 2.88 0.52 -4.77 113.62 105.64 1pla n SER 17 Ca 0.10 0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.36 1pla n SER 17 Cb 0.58 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.46 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pla s SER 18 N -4.53 5.35 -0.27 -3.46 0.15 -1.26 -2.45 113.70 107.23 1pla s SER 18 Ca -0.05 0.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 1pla s SER 18 Cb 0.01 -1.78 0.08 0.00 -1.71 0.00 0.00 66.02 62.61 1pla s SER 18 CO 0.08 0.25 0.74 0.72 1.20 0.00 0.00 173.24 176.22 1pla s PHE 19 N -0.08 -0.84 0.46 3.44 -0.71 -0.98 -4.99 117.98 114.27 1pla s PHE 19 Ca 0.05 1.93 -0.05 0.00 -1.04 0.00 0.00 56.93 57.81 1pla s PHE 19 Cb -0.12 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1pla s PHE 19 CO 0.02 -0.41 0.77 0.95 -1.34 0.00 0.00 175.22 175.20 1pla s THR 20 N 0.73 4.92 0.32 -4.49 -4.23 -1.26 -2.36 115.64 109.26 1pla s THR 20 Ca -0.03 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1pla s THR 20 Cb -0.05 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1pla s THR 20 CO -0.05 -0.80 0.47 0.68 -0.54 0.00 0.00 174.62 174.38 1pla s VAL 21 N -2.68 0.00 0.12 2.29 -7.23 -0.06 -4.85 120.40 107.99 1pla s VAL 21 Ca 0.47 -1.55 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1pla s VAL 21 Cb -0.10 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1pla s VAL 21 CO 0.43 0.00 0.31 0.00 -0.31 0.00 0.00 175.10 175.53 1pla s ALA 22 N -3.26 3.88 -0.68 1.32 0.00 -1.26 0.71 121.76 122.46 1pla s ALA 22 Ca 0.29 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1pla s ALA 22 Cb -0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 23.12 20.92 1pla s ALA 22 CO 0.17 0.71 1.87 0.00 0.00 0.00 0.00 175.76 178.51 1pla n ALA 23 N 0.10 2.53 0.00 0.00 0.00 -1.20 -1.85 120.51 120.08 1pla n ALA 23 Ca -0.04 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1pla n ALA 23 Cb 0.52 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1pla n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 24 N 4.84 0.00 3.79 0.00 0.00 -1.26 -4.94 105.19 107.62 1pla n GLY 24 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 1pla n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 25 N 0.00 3.05 0.23 1.61 2.56 -0.77 -5.11 118.70 120.27 1pla s GLU 25 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.97 54.41 1pla s GLU 25 Cb 0.00 -2.84 -0.05 0.00 2.00 0.00 0.00 34.13 33.24 1pla s GLU 25 CO 0.00 0.63 0.46 -1.59 -0.56 0.00 0.00 175.26 174.20 1pla s LYS 26 N -1.91 3.61 0.06 4.30 -2.85 -1.26 -4.35 119.74 117.33 1pla s LYS 26 Ca 0.25 -0.11 0.08 0.00 -1.00 0.00 0.00 55.97 55.19 1pla s LYS 26 Cb -0.12 -2.75 -0.03 0.00 -2.06 0.00 0.00 37.83 32.87 1pla s LYS 26 CO 0.16 0.34 -0.23 0.42 0.10 0.00 0.00 175.35 176.14 1pla s ILE 27 N -1.90 1.86 -0.08 3.79 1.01 0.83 -3.87 121.20 122.83 1pla s ILE 27 Ca 0.42 -1.33 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1pla s ILE 27 Cb -0.11 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.78 1pla s ILE 27 CO 0.28 0.22 0.04 0.42 0.00 0.00 0.00 174.94 175.90 1pla s THR 28 N -0.85 0.13 -0.11 2.92 -4.23 -0.78 -0.62 115.64 112.10 1pla s THR 28 Ca 0.09 0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.52 1pla s THR 28 Cb -0.09 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.31 1pla s THR 28 CO 0.02 0.13 0.80 -0.36 -0.54 0.00 0.00 174.62 174.68 1pla s PHE 29 N 2.06 3.50 -0.09 3.99 0.08 0.05 -1.03 117.98 126.55 1pla s PHE 29 Ca 0.04 1.31 0.04 0.00 0.12 0.00 0.00 56.93 58.44 1pla s PHE 29 Cb -0.13 -2.95 -0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1pla s PHE 29 CO -0.05 -0.10 -0.24 0.21 -0.10 0.00 0.00 175.22 174.94 1pla s LYS 30 N 1.54 2.95 0.01 0.44 2.20 0.10 -1.75 119.74 125.24 1pla s LYS 30 Ca 0.40 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 1pla s LYS 30 Cb -0.18 -2.26 -0.06 0.00 -1.51 0.00 0.00 37.83 33.82 1pla s LYS 30 CO 0.16 0.21 1.42 -0.80 -0.36 0.00 0.00 175.35 175.98 1pla s ASN 31 N 0.27 6.83 -0.17 1.43 -0.87 -0.91 -0.41 114.94 121.11 1pla s ASN 31 Ca -0.17 2.15 0.12 0.00 -1.57 0.00 0.00 52.86 53.39 1pla s ASN 31 Cb -0.17 -2.56 -0.19 0.00 -0.02 0.00 0.00 41.25 38.31 1pla s ASN 31 CO 0.08 -0.73 0.00 -3.20 -2.57 0.00 0.00 177.10 170.69 1pla n ASN 32 N 5.31 1.25 0.00 -1.22 5.15 -0.60 -3.84 115.26 121.31 1pla n ASN 32 Ca 0.13 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1pla n ASN 32 Cb 0.43 0.63 0.00 0.00 -0.53 0.00 0.00 39.78 40.31 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla n ALA 33 N -2.72 0.00 -1.69 5.20 0.00 -1.18 -4.98 120.51 115.14 1pla n ALA 33 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 1pla n ALA 33 Cb 1.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.51 1pla n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 34 N 0.00 6.01 3.83 0.00 0.00 -1.22 -5.03 105.19 108.78 1pla n GLY 34 Ca 0.00 -2.47 -0.31 0.00 0.00 0.00 0.00 46.02 43.24 1pla n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pla s PHE 35 N -3.77 3.18 1.07 1.61 -0.71 -1.26 -4.54 117.98 113.57 1pla s PHE 35 Ca 0.58 1.35 -0.17 0.00 -1.04 0.00 0.00 56.93 57.65 1pla s PHE 35 Cb 0.46 -2.89 0.24 0.00 -1.21 0.00 0.00 43.02 39.62 1pla s PHE 35 CO -0.05 -1.20 1.20 -1.25 -1.34 0.00 0.00 175.22 172.58 1pla s PRO 36 N -5.10 -0.22 0.23 1.99 0.04 -1.26 -5.12 135.00 125.56 1pla s PRO 36 Ca 0.58 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.34 1pla s PRO 36 Cb -0.13 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1pla s PRO 36 CO 0.55 -3.03 0.44 -1.01 0.04 0.00 0.00 177.00 173.98 1pla s HIS 37 N -3.39 0.37 0.02 0.56 3.76 -1.05 -5.01 115.29 110.54 1pla s HIS 37 Ca 0.71 -0.72 -0.21 0.00 -0.15 0.00 0.00 55.06 54.69 1pla s HIS 37 Cb -0.08 0.14 0.04 0.00 1.11 0.00 0.00 32.58 33.79 1pla s HIS 37 CO 0.55 -0.93 0.47 0.54 -0.85 0.00 0.00 174.74 174.51 1pla s ASN 38 N -3.01 -0.38 -0.34 1.40 4.22 -1.26 -2.50 114.94 113.07 1pla s ASN 38 Ca 0.21 0.20 0.01 0.00 -2.14 0.00 0.00 52.86 51.14 1pla s ASN 38 Cb 0.00 0.44 0.11 0.00 1.28 0.00 0.00 41.25 43.08 1pla s ASN 38 CO 0.07 -0.62 0.12 -0.63 -2.04 0.00 0.00 177.10 174.00 1pla s ILE 39 N -2.00 1.26 -0.00 0.54 1.09 -1.26 -4.05 121.20 116.78 1pla s ILE 39 Ca -0.08 -1.84 0.04 0.00 -1.10 0.00 0.00 60.65 57.67 1pla s ILE 39 Cb -0.02 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.42 1pla s ILE 39 CO 0.01 -0.71 -0.10 -0.69 -0.10 0.00 0.00 174.94 173.35 1pla s VAL 40 N 1.20 3.40 -0.12 2.92 1.01 -1.04 0.08 120.40 127.85 1pla s VAL 40 Ca 0.12 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1pla s VAL 40 Cb -0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1pla s VAL 40 CO -0.16 0.43 0.18 -0.36 0.00 0.00 0.00 175.10 175.18 1pla s PHE 41 N -0.93 3.59 -0.41 5.22 0.40 -1.26 -2.44 117.98 122.15 1pla s PHE 41 Ca 0.15 0.57 -0.29 0.00 -0.60 0.00 0.00 56.93 56.76 1pla s PHE 41 Cb -0.11 -2.02 0.01 0.00 0.51 0.00 0.00 43.02 41.41 1pla s PHE 41 CO 0.05 0.66 1.36 0.34 0.70 0.00 0.00 175.22 178.33 1pla s ASP 42 N -0.82 6.43 0.00 1.36 2.15 -0.98 -4.86 116.67 119.94 1pla s ASP 42 Ca 0.15 0.83 -0.04 0.00 0.43 0.00 0.00 52.55 53.93 1pla s ASP 42 Cb -0.12 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 39.79 1pla s ASP 42 CO 0.04 -1.36 2.43 1.21 -0.17 0.00 0.00 175.17 177.32 1pla n GLU 43 N 7.93 1.24 0.00 4.34 2.13 -1.26 -2.71 120.64 132.31 1pla n GLU 43 Ca 0.16 -0.61 0.00 0.00 0.66 0.00 0.00 57.16 57.37 1pla n GLU 43 Cb 0.48 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pla n ASP 44 N 2.65 0.00 0.00 4.31 8.00 -1.26 -4.83 116.55 125.42 1pla n ASP 44 Ca 0.26 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1pla n ASP 44 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pla n GLU 45 N 0.00 0.00 -3.59 -1.24 -0.58 -1.10 -5.08 120.64 109.04 1pla n GLU 45 Ca 0.00 -0.35 -0.35 0.00 -0.42 0.00 0.00 57.16 56.04 1pla n GLU 45 Cb 0.34 -0.43 -0.06 0.00 -0.57 0.00 0.00 31.44 30.73 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pla s VAL 46 N 0.00 5.12 0.54 2.62 1.01 -1.26 -4.42 120.40 124.02 1pla s VAL 46 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1pla s VAL 46 Cb 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1pla s VAL 46 CO 0.00 0.37 0.71 -2.65 0.00 0.00 0.00 175.10 173.54 1pla n PRO 47 N 1.17 0.74 -2.23 2.72 -0.01 -1.26 -4.79 135.00 131.34 1pla n PRO 47 Ca -0.10 0.28 -0.38 0.00 -0.01 0.00 0.00 63.50 63.29 1pla n PRO 47 Cb 0.52 -1.85 -0.02 0.00 -0.01 0.00 0.00 33.50 32.14 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1pla n ALA 48 N -1.45 3.20 0.00 3.55 0.00 -1.26 -3.11 120.51 121.44 1pla n ALA 48 Ca 0.12 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1pla n ALA 48 Cb 0.45 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1pla n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 49 N 5.32 0.98 3.56 0.00 0.00 -1.26 -5.07 105.19 108.72 1pla n GLY 49 Ca 0.48 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1pla n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pla s VAL 50 N 0.00 3.81 0.24 1.61 1.01 -1.18 -4.96 120.40 120.93 1pla s VAL 50 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1pla s VAL 50 Cb 0.00 -4.94 -0.16 0.00 0.00 0.00 0.00 36.38 31.29 1pla s VAL 50 CO 0.00 -1.84 0.77 0.59 0.00 0.00 0.00 175.10 174.61 1pla n ASN 51 N 9.37 0.02 -0.67 3.32 4.13 -1.26 -4.76 115.26 125.42 1pla n ASN 51 Ca 0.21 1.15 0.12 0.00 1.68 0.00 0.00 54.58 57.75 1pla n ASN 51 Cb 0.50 -1.12 0.22 0.00 -1.54 0.00 0.00 39.78 37.84 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pla n ALA 52 N 0.14 2.77 0.48 5.41 0.00 -1.26 -4.03 120.51 124.01 1pla n ALA 52 Ca 0.14 -0.59 0.12 0.00 0.00 0.00 0.00 53.44 53.11 1pla n ALA 52 Cb 0.28 -0.93 0.10 0.00 0.00 0.00 0.00 19.45 18.89 1pla n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pla n GLU 53 N 0.57 0.35 0.01 0.00 4.71 -1.26 -2.95 120.64 122.07 1pla n GLU 53 Ca 0.14 0.07 -0.03 0.00 -0.01 0.00 0.00 57.16 57.32 1pla n GLU 53 Cb 0.48 -1.69 -0.10 0.00 -1.01 0.00 0.00 31.44 29.12 1pla n GLU 53 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 1pla h LYS 54 N 0.00 0.00 0.00 3.49 2.10 -1.96 -3.37 116.57 116.83 1pla h LYS 54 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1pla h LYS 54 Cb 0.79 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.08 1pla h LYS 54 CO 0.00 0.38 -1.75 0.44 -2.00 0.00 0.00 179.45 176.52 1pla n ILE 55 N -2.96 1.31 -0.03 0.07 -5.35 -1.26 -4.94 119.36 106.20 1pla n ILE 55 Ca -0.12 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1pla n ILE 55 Cb 0.92 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 1pla n ILE 55 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1pla n SER 56 N -2.88 -1.57 -3.01 7.28 7.64 -1.15 -4.99 113.62 114.93 1pla n SER 56 Ca -0.17 -0.03 -0.16 0.00 1.01 0.00 0.00 58.87 59.53 1pla n SER 56 Cb 0.96 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.14 1pla n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pla n GLN 57 N -1.60 0.58 0.08 1.43 6.02 0.11 -4.96 117.38 119.04 1pla n GLN 57 Ca 0.00 -2.53 0.05 0.00 -0.01 0.00 0.00 57.00 54.52 1pla n GLN 57 Cb 0.00 -1.44 0.28 0.00 1.02 0.00 0.00 30.24 30.10 1pla n GLN 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1pla n PRO 58 N 2.11 0.07 -3.32 -1.09 -0.02 -1.26 -4.04 135.00 127.44 1pla n PRO 58 Ca 0.19 0.56 -0.46 0.00 -2.02 0.00 0.00 63.50 61.77 1pla n PRO 58 Cb 0.55 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 1pla n PRO 58 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pla s GLU 59 N -3.26 3.26 1.00 -0.52 2.02 -1.26 -5.05 118.70 114.89 1pla s GLU 59 Ca -0.01 -2.05 -0.23 0.00 0.02 0.00 0.00 54.97 52.70 1pla s GLU 59 Cb 0.03 -4.35 -0.08 0.00 0.10 0.00 0.00 34.13 29.83 1pla s GLU 59 CO 0.10 -1.31 -0.91 0.66 0.02 0.00 0.00 175.26 173.82 1pla n TYR 60 N 4.66 -1.38 -3.99 1.61 4.02 -1.26 -4.99 117.16 115.84 1pla n TYR 60 Ca -0.01 0.49 -0.09 0.00 -0.01 0.00 0.00 57.90 58.27 1pla n TYR 60 Cb 0.43 -1.43 -0.11 0.00 -0.02 0.00 0.00 39.34 38.21 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1pla s LEU 61 N 4.93 2.25 -0.37 7.72 0.05 -1.04 -5.03 118.68 127.19 1pla s LEU 61 Ca 0.39 -0.52 0.12 0.00 0.05 0.00 0.00 54.13 54.18 1pla s LEU 61 Cb 0.03 0.09 0.40 0.00 -2.05 0.00 0.00 46.19 44.65 1pla s LEU 61 CO 0.59 -0.30 1.06 -0.46 -0.55 0.00 0.00 176.35 176.69 1pla n ASN 62 N 1.55 -0.25 -4.09 1.48 0.23 -1.26 -2.54 115.26 110.37 1pla n ASN 62 Ca -0.24 -2.83 -0.29 0.00 -0.53 0.00 0.00 54.58 50.69 1pla n ASN 62 Cb 0.55 0.29 -0.17 0.00 -2.08 0.00 0.00 39.78 38.38 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pla s GLY 63 N -2.14 1.09 0.12 4.83 0.00 -1.26 -5.02 107.32 104.94 1pla s GLY 63 Ca 0.27 -0.76 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 1pla s GLY 63 CO -0.03 0.08 1.50 0.00 0.00 0.00 0.00 173.10 174.65 1pla s ALA 64 N 0.79 3.68 0.00 3.20 0.00 -1.26 -1.91 121.76 126.27 1pla s ALA 64 Ca -0.10 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1pla s ALA 64 Cb -0.16 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1pla s ALA 64 CO 0.01 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1pla n GLY 65 N 3.69 2.77 3.60 0.00 0.00 -1.25 -4.98 105.19 109.02 1pla n GLY 65 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1pla n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pla n GLU 66 N -1.96 0.29 -3.93 1.61 4.07 -0.80 -4.52 120.64 115.39 1pla n GLU 66 Ca 0.00 0.16 -0.09 0.00 -0.06 0.00 0.00 57.16 57.16 1pla n GLU 66 Cb 0.00 -2.20 -0.07 0.00 -0.06 0.00 0.00 31.44 29.11 1pla n GLU 66 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1pla s THR 67 N -1.99 0.07 0.03 6.31 -4.23 -1.26 -2.15 115.64 112.42 1pla s THR 67 Ca 0.71 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1pla s THR 67 Cb -0.31 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 1pla s THR 67 CO 0.53 -0.33 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.75 1pla s TYR 68 N -3.95 0.58 0.17 3.99 6.14 -0.72 -4.96 117.35 118.61 1pla s TYR 68 Ca 0.15 -0.35 0.06 0.00 0.64 0.00 0.00 57.07 57.57 1pla s TYR 68 Cb 0.03 -0.36 -0.04 0.00 0.42 0.00 0.00 41.96 42.02 1pla s TYR 68 CO -0.02 -0.06 0.07 -1.21 0.64 0.00 0.00 175.55 174.98 1pla s GLU 69 N -1.06 2.67 -0.21 4.97 8.01 -1.26 -0.77 118.70 131.06 1pla s GLU 69 Ca -0.06 -0.98 -0.16 0.00 0.01 0.00 0.00 54.97 53.78 1pla s GLU 69 Cb -0.07 -2.51 0.06 0.00 -4.31 0.00 0.00 34.13 27.29 1pla s GLU 69 CO 0.00 0.47 0.54 0.08 0.01 0.00 0.00 175.26 176.37 1pla s VAL 70 N -1.74 -0.01 -0.28 2.63 1.01 0.21 -4.98 120.40 117.24 1pla s VAL 70 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1pla s VAL 70 Cb -0.10 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.60 1pla s VAL 70 CO 0.21 0.01 0.04 -0.89 0.00 0.00 0.00 175.10 174.47 1pla s THR 71 N 0.79 1.30 0.42 3.92 2.01 -1.26 -0.12 115.64 122.70 1pla s THR 71 Ca -0.04 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.47 1pla s THR 71 Cb -0.05 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1pla s THR 71 CO -0.06 -0.44 0.73 -0.76 -0.69 0.00 0.00 174.62 173.40 1pla s LEU 72 N 1.44 3.78 -0.35 4.42 1.43 -1.26 -5.02 118.68 123.11 1pla s LEU 72 Ca 0.04 0.92 0.14 0.00 -1.03 0.00 0.00 54.13 54.20 1pla s LEU 72 Cb -0.18 -3.83 0.43 0.00 0.03 0.00 0.00 46.19 42.64 1pla s LEU 72 CO -0.14 -0.45 1.20 0.35 0.23 0.00 0.00 176.35 177.53 1pla n THR 73 N -1.76 0.48 -3.52 5.49 -2.24 -1.26 -4.16 114.28 107.31 1pla n THR 73 Ca 0.00 -2.17 -0.23 0.00 -2.27 0.00 0.00 64.05 59.38 1pla n THR 73 Cb 0.55 0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 69.53 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pla s GLU 74 N -1.40 0.18 -0.41 -0.78 0.41 -1.26 -5.01 118.70 110.44 1pla s GLU 74 Ca 0.23 -0.16 -0.39 0.00 -0.41 0.00 0.00 54.97 54.24 1pla s GLU 74 Cb 0.42 -1.25 -0.14 0.00 -1.78 0.00 0.00 34.13 31.37 1pla s GLU 74 CO -0.04 -0.84 2.16 1.63 -0.49 0.00 0.00 175.26 177.68 1pla n LYS 75 N 5.29 0.66 0.00 1.61 5.02 -1.26 -4.59 118.16 124.88 1pla n LYS 75 Ca -0.05 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1pla n LYS 75 Cb 0.46 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pla n GLY 76 N 6.85 -0.80 3.10 0.72 0.00 -0.62 -4.95 105.19 109.49 1pla n GLY 76 Ca 0.46 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 1pla n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pla s THR 77 N -4.00 -0.01 0.15 2.61 2.01 -1.26 -1.46 115.64 113.68 1pla s THR 77 Ca 0.00 0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.14 1pla s THR 77 Cb 0.00 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1pla s THR 77 CO 0.00 0.02 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.41 1pla s TYR 78 N 0.41 2.07 -0.10 4.92 1.51 -1.01 -4.39 117.35 120.76 1pla s TYR 78 Ca -0.02 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1pla s TYR 78 Cb -0.04 -1.08 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1pla s TYR 78 CO -0.02 0.35 -0.16 0.15 -1.11 0.00 0.00 175.55 174.76 1pla s LYS 79 N -2.35 3.09 0.03 -0.62 1.02 -1.26 -2.64 119.74 117.00 1pla s LYS 79 Ca 0.14 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 1pla s LYS 79 Cb -0.09 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1pla s LYS 79 CO 0.07 0.30 0.03 -0.59 -0.92 0.00 0.00 175.35 174.25 1pla s PHE 80 N 0.09 0.26 0.17 3.18 -0.71 0.26 -2.33 117.98 118.90 1pla s PHE 80 Ca -0.07 -0.56 -0.23 0.00 -1.04 0.00 0.00 56.93 55.03 1pla s PHE 80 Cb -0.15 -0.19 0.08 0.00 -1.21 0.00 0.00 43.02 41.55 1pla s PHE 80 CO 0.05 -0.30 1.04 1.52 -1.34 0.00 0.00 175.22 176.20 1pla s TYR 81 N -2.27 0.04 -0.27 3.49 1.13 -1.02 0.23 117.35 118.69 1pla s TYR 81 Ca -0.08 -0.42 -0.10 0.00 -1.41 0.00 0.00 57.07 55.06 1pla s TYR 81 Cb -0.04 0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 41.47 1pla s TYR 81 CO -0.03 -0.88 0.15 0.00 -2.51 0.00 0.00 175.55 172.28 1pla h GLU 83 N 8.23 1.07 0.14 0.00 4.81 -1.90 -1.87 114.58 125.05 1pla h GLU 83 Ca -0.36 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.58 1pla h GLU 83 Cb 1.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1pla h GLU 83 CO 0.57 0.98 -0.07 -1.00 -0.73 0.00 0.00 179.01 178.77 1pla h PRO 84 N 0.98 -0.18 -0.38 0.92 0.13 -1.94 -2.95 132.00 128.58 1pla h PRO 84 Ca 0.20 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1pla h PRO 84 Cb 0.43 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1pla h PRO 84 CO 0.01 0.22 0.00 0.72 -0.23 0.00 0.00 178.00 178.72 1pla n HIS 85 N -4.97 0.00 0.38 1.56 8.25 -1.24 -3.84 115.22 115.36 1pla n HIS 85 Ca -0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1pla n HIS 85 Cb 0.25 -0.04 0.19 0.00 1.12 0.00 0.00 29.99 31.51 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla n ALA 86 N -0.30 1.65 0.29 -1.41 0.00 -0.70 -1.08 120.51 118.95 1pla n ALA 86 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1pla n ALA 86 Cb 0.10 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 18.52 1pla n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pla h GLY 87 N 1.08 0.00 0.38 0.00 0.00 -1.83 -3.36 103.07 99.34 1pla h GLY 87 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1pla h GLY 87 CO 0.00 0.00 -2.10 0.00 0.00 0.00 0.00 176.54 174.44 1pla n ALA 88 N -2.04 1.04 0.00 3.60 0.00 -0.24 -4.99 120.51 117.88 1pla n ALA 88 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1pla n ALA 88 Cb 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1pla n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 89 N 2.00 0.23 3.55 0.00 0.00 -1.19 -5.08 105.19 104.72 1pla n GLY 89 Ca -0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1pla n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pla s MET 90 N 0.00 2.36 0.27 1.61 0.00 -1.23 -4.92 119.30 117.39 1pla s MET 90 Ca 0.00 1.16 0.07 0.00 0.00 0.00 0.00 55.69 56.91 1pla s MET 90 Cb 0.00 -4.50 -0.06 0.00 0.00 0.00 0.00 34.83 30.28 1pla s MET 90 CO 0.00 -3.00 -0.06 0.15 0.00 0.00 0.00 175.02 172.11 1pla s LYS 91 N 7.68 1.53 -0.07 4.11 1.02 -1.26 -2.76 119.74 129.98 1pla s LYS 91 Ca 0.87 -1.77 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 1pla s LYS 91 Cb -0.16 -1.13 0.03 0.00 -0.52 0.00 0.00 37.83 36.04 1pla s LYS 91 CO 0.25 0.04 0.30 0.20 -0.92 0.00 0.00 175.35 175.21 1pla s GLY 92 N -3.43 -0.18 -0.05 -3.33 0.00 0.63 -4.15 107.32 96.81 1pla s GLY 92 Ca 0.29 0.62 -0.13 0.00 0.00 0.00 0.00 44.72 45.50 1pla s GLY 92 CO 0.11 0.47 0.30 1.85 0.00 0.00 0.00 173.10 175.84 1pla s GLU 93 N -0.42 0.57 -0.05 2.90 2.12 -1.03 -0.57 118.70 122.22 1pla s GLU 93 Ca -0.05 -0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 1pla s GLU 93 Cb -0.04 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.64 1pla s GLU 93 CO 0.02 -0.14 0.06 0.54 -0.54 0.00 0.00 175.26 175.20 1pla s VAL 94 N -0.87 -0.11 -0.53 3.70 0.11 -1.08 -2.33 120.40 119.28 1pla s VAL 94 Ca -0.09 0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 59.20 1pla s VAL 94 Cb -0.04 -0.17 0.11 0.00 -1.53 0.00 0.00 36.38 34.75 1pla s VAL 94 CO 0.03 0.16 0.51 -0.89 -3.33 0.00 0.00 175.10 171.58 1pla s THR 95 N 2.17 5.15 0.30 5.04 2.01 -1.00 -2.40 115.64 126.91 1pla s THR 95 Ca 0.05 -1.31 -0.27 0.00 0.31 0.00 0.00 61.69 60.47 1pla s THR 95 Cb -0.12 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 1pla s THR 95 CO -0.03 -0.84 0.95 -0.69 -0.69 0.00 0.00 174.62 173.32 1pla s VAL 96 N 1.79 4.12 0.00 3.82 1.01 -0.53 -0.89 120.40 129.72 1pla s VAL 96 Ca 0.05 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1pla s VAL 96 Cb -0.28 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1pla s VAL 96 CO 0.04 0.27 0.00 0.59 0.00 0.00 0.00 175.10 176.00