#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 4.04 -0.23 0.00 2.02 -1.26 -1.77 118.70 121.50 1pla s GLU 2 Ca 0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 54.97 54.85 1pla s GLU 2 Cb 0.00 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 1pla s GLU 2 CO 0.00 -0.14 0.03 0.08 0.02 0.00 0.00 175.26 175.25 1pla s VAL 3 N 1.64 4.07 -0.31 2.63 1.01 -0.47 -4.43 120.40 124.54 1pla s VAL 3 Ca 0.12 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 1pla s VAL 3 Cb -0.15 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1pla s VAL 3 CO 0.09 0.38 0.56 -0.54 0.00 0.00 0.00 175.10 175.58 1pla s LYS 4 N 1.39 3.86 -0.41 2.72 1.02 0.13 0.10 119.74 128.54 1pla s LYS 4 Ca 0.05 0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 1pla s LYS 4 Cb -0.15 -3.73 0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1pla s LYS 4 CO 0.02 -0.53 1.22 -0.51 -0.92 0.00 0.00 175.35 174.63 1pla s LEU 5 N 2.45 3.70 0.00 3.17 1.43 0.74 -2.63 118.68 127.55 1pla s LEU 5 Ca 0.22 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1pla s LEU 5 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1pla s LEU 5 CO 0.12 -1.22 0.00 0.61 0.23 0.00 0.00 176.35 176.09 1pla n GLY 6 N 4.69 0.68 3.77 -3.19 0.00 -1.08 -1.47 105.19 108.58 1pla n GLY 6 Ca 0.14 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1pla n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pla s SER 7 N -0.01 5.95 0.29 1.61 1.04 -0.59 -4.34 113.70 117.65 1pla s SER 7 Ca 0.00 2.44 0.01 0.00 0.48 0.00 0.00 55.95 58.88 1pla s SER 7 Cb 0.00 -2.61 0.69 0.00 0.10 0.00 0.00 66.02 64.20 1pla s SER 7 CO 0.00 -1.08 1.63 0.44 0.98 0.00 0.00 173.24 175.21 1pla h ASP 8 N 1.94 -0.14 0.00 7.02 3.32 -1.94 -3.34 116.42 123.27 1pla h ASP 8 Ca -0.50 0.21 -0.20 0.00 0.02 0.00 0.00 57.03 56.57 1pla h ASP 8 Cb 1.26 0.32 -0.14 0.00 0.22 0.00 0.00 39.33 40.99 1pla h ASP 8 CO 0.60 -0.21 -0.38 -0.90 -1.72 0.00 0.00 179.24 176.63 1pla n ASP 9 N -5.30 -2.44 0.10 6.45 5.68 -1.26 -5.01 116.55 114.77 1pla n ASP 9 Ca 0.21 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 51.38 1pla n ASP 9 Cb 0.68 1.67 0.00 0.00 -1.14 0.00 0.00 41.12 42.33 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 1.23 -0.55 0.00 6.12 0.00 -1.25 -5.17 105.19 105.57 1pla n GLY 10 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pla n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pla n GLY 11 N 0.52 0.53 3.41 -0.02 0.00 -1.26 -5.04 105.19 103.33 1pla n GLY 11 Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1pla n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pla s LEU 12 N 0.00 5.44 0.09 0.99 1.43 -1.26 -1.54 118.68 123.82 1pla s LEU 12 Ca 0.00 -1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 51.79 1pla s LEU 12 Cb 0.00 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1pla s LEU 12 CO 0.00 -0.60 0.32 0.68 0.23 0.00 0.00 176.35 176.98 1pla s VAL 13 N 1.70 0.09 -0.39 -1.59 -7.23 -1.26 -4.28 120.40 107.44 1pla s VAL 13 Ca 0.05 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 1pla s VAL 13 Cb -0.22 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.59 1pla s VAL 13 CO 0.08 -0.42 1.18 -0.36 -0.31 0.00 0.00 175.10 175.27 1pla s PHE 14 N -3.42 2.85 -0.29 2.82 0.40 -1.26 -2.65 117.98 116.43 1pla s PHE 14 Ca 0.01 0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 57.21 1pla s PHE 14 Cb 0.02 -4.11 0.05 0.00 0.51 0.00 0.00 43.02 39.48 1pla s PHE 14 CO -0.09 -1.27 -0.02 -1.12 0.70 0.00 0.00 175.22 173.42 1pla s SER 15 N 2.43 4.77 1.12 1.36 0.01 -1.08 -0.39 113.70 121.93 1pla s SER 15 Ca 0.50 -1.20 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 1pla s SER 15 Cb -0.11 -1.70 0.25 0.00 0.21 0.00 0.00 66.02 64.68 1pla s SER 15 CO 0.25 -0.23 1.06 -2.84 0.41 0.00 0.00 173.24 171.89 1pla s PRO 16 N 1.26 -0.54 -0.03 12.44 0.02 -1.26 0.20 135.00 147.08 1pla s PRO 16 Ca -0.05 0.55 -0.03 0.00 0.02 0.00 0.00 61.00 61.50 1pla s PRO 16 Cb -0.19 -1.62 -0.01 0.00 0.02 0.00 0.00 34.50 32.70 1pla s PRO 16 CO -0.02 -3.40 -0.05 -1.13 -0.33 0.00 0.00 177.00 172.07 1pla n SER 17 N -4.65 0.38 -4.57 2.53 3.41 0.48 -4.87 113.62 106.33 1pla n SER 17 Ca 0.05 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.52 1pla n SER 17 Cb 0.56 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1pla n SER 17 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pla s SER 18 N -4.17 4.76 -0.28 4.04 0.01 -1.26 -1.94 113.70 114.86 1pla s SER 18 Ca -0.04 -0.03 -0.20 0.00 1.31 0.00 0.00 55.95 56.98 1pla s SER 18 Cb 0.01 -1.38 0.10 0.00 0.21 0.00 0.00 66.02 64.96 1pla s SER 18 CO 0.07 0.31 0.83 0.72 0.41 0.00 0.00 173.24 175.58 1pla s PHE 19 N -0.51 -0.77 0.38 2.43 -0.71 -0.96 -4.99 117.98 112.86 1pla s PHE 19 Ca 0.08 1.67 -0.13 0.00 -1.04 0.00 0.00 56.93 57.51 1pla s PHE 19 Cb -0.12 0.42 -0.08 0.00 -1.21 0.00 0.00 43.02 42.04 1pla s PHE 19 CO 0.02 -0.37 0.77 0.95 -1.34 0.00 0.00 175.22 175.25 1pla s THR 20 N 0.93 4.72 0.27 -4.49 -4.23 -1.26 -2.33 115.64 109.25 1pla s THR 20 Ca -0.04 0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 1pla s THR 20 Cb -0.05 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1pla s THR 20 CO -0.10 -0.40 0.33 0.68 -0.54 0.00 0.00 174.62 174.58 1pla s VAL 21 N -2.24 0.00 -0.02 2.29 -7.23 -0.18 -4.85 120.40 108.17 1pla s VAL 21 Ca 0.53 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.80 1pla s VAL 21 Cb -0.10 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1pla s VAL 21 CO 0.26 0.00 0.38 0.00 -0.31 0.00 0.00 175.10 175.42 1pla s ALA 22 N -3.71 3.71 -0.88 1.32 0.00 -1.26 -0.73 121.76 120.20 1pla s ALA 22 Ca 0.33 -0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 1pla s ALA 22 Cb 0.03 -2.35 -0.25 0.00 0.00 0.00 0.00 23.12 20.54 1pla s ALA 22 CO 0.16 0.46 1.99 0.00 0.00 0.00 0.00 175.76 178.38 1pla n ALA 23 N 1.98 0.54 0.00 0.00 0.00 -1.26 -1.41 120.51 120.36 1pla n ALA 23 Ca -0.14 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1pla n ALA 23 Cb 0.53 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.53 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 5.84 -0.06 3.81 0.00 0.00 -1.25 -4.91 105.19 108.63 1pla n GLY 24 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 3.03 -0.06 1.61 2.56 -0.50 -5.10 118.70 120.25 1pla s GLU 25 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 54.97 54.22 1pla s GLU 25 Cb 0.00 -2.81 -0.05 0.00 2.00 0.00 0.00 34.13 33.27 1pla s GLU 25 CO 0.00 0.58 0.34 0.15 -0.56 0.00 0.00 175.26 175.78 1pla s LYS 26 N -2.37 3.92 0.12 4.30 1.02 -1.26 -4.43 119.74 121.04 1pla s LYS 26 Ca 0.30 0.26 0.09 0.00 0.02 0.00 0.00 55.97 56.64 1pla s LYS 26 Cb -0.12 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1pla s LYS 26 CO 0.23 0.59 -0.17 0.42 -0.92 0.00 0.00 175.35 175.50 1pla s ILE 27 N -0.68 2.91 -0.06 2.17 1.09 -0.96 -1.86 121.20 123.81 1pla s ILE 27 Ca 0.21 -1.51 -0.02 0.00 -1.10 0.00 0.00 60.65 58.23 1pla s ILE 27 Cb -0.15 -2.35 0.04 0.00 -1.06 0.00 0.00 42.46 38.94 1pla s ILE 27 CO 0.10 0.08 0.11 0.42 -0.10 0.00 0.00 174.94 175.54 1pla s THR 28 N -1.21 -0.16 -0.23 2.92 -4.23 -0.73 -1.88 115.64 110.11 1pla s THR 28 Ca 0.19 0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.83 1pla s THR 28 Cb -0.10 -0.21 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 1pla s THR 28 CO 0.11 0.15 0.73 -0.36 -0.54 0.00 0.00 174.62 174.71 1pla s PHE 29 N 2.03 3.32 -0.09 3.99 0.40 -0.91 -1.37 117.98 125.35 1pla s PHE 29 Ca 0.02 1.01 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 1pla s PHE 29 Cb -0.12 -2.93 -0.03 0.00 0.51 0.00 0.00 43.02 40.45 1pla s PHE 29 CO -0.04 -0.32 -0.08 0.21 0.70 0.00 0.00 175.22 175.69 1pla s LYS 30 N 2.51 2.98 -0.63 0.44 2.20 0.11 -1.55 119.74 125.80 1pla s LYS 30 Ca 0.31 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 1pla s LYS 30 Cb -0.16 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1pla s LYS 30 CO 0.09 0.52 1.20 1.21 -0.36 0.00 0.00 175.35 178.01 1pla s ASN 31 N -0.43 6.36 -0.20 1.43 2.47 -0.51 -0.19 114.94 123.87 1pla s ASN 31 Ca 0.06 -0.09 0.14 0.00 0.42 0.00 0.00 52.86 53.39 1pla s ASN 31 Cb -0.12 -2.55 -0.22 0.00 -1.45 0.00 0.00 41.25 36.91 1pla s ASN 31 CO 0.02 -1.57 0.01 -3.20 -3.72 0.00 0.00 177.10 168.64 1pla n ASN 32 N 8.66 0.68 0.00 -4.21 5.15 -1.04 -3.65 115.26 120.85 1pla n ASN 32 Ca 0.06 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1pla n ASN 32 Cb 0.49 0.69 0.00 0.00 -0.53 0.00 0.00 39.78 40.43 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 -2.81 0.00 0.00 5.20 0.00 -0.54 -5.00 120.51 117.37 1pla n ALA 33 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1pla n ALA 33 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 -0.14 0.95 3.47 0.00 0.00 -1.26 -3.92 105.19 104.29 1pla n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pla n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pla n PHE 35 N -1.91 -0.79 -2.59 1.61 -1.74 -1.26 -4.54 117.46 106.24 1pla n PHE 35 Ca 0.00 0.21 -0.40 0.00 -0.56 0.00 0.00 57.45 56.70 1pla n PHE 35 Cb 0.00 -1.79 -0.05 0.00 1.52 0.00 0.00 39.48 39.16 1pla n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1pla s PRO 36 N -3.98 4.67 0.31 3.97 0.04 -1.26 -5.05 135.00 133.70 1pla s PRO 36 Ca 0.61 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.38 1pla s PRO 36 Cb -0.21 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1pla s PRO 36 CO 0.64 0.29 0.16 -1.01 0.04 0.00 0.00 177.00 177.12 1pla s HIS 37 N -1.24 2.80 -0.11 0.56 3.76 -1.05 -4.93 115.29 115.08 1pla s HIS 37 Ca 0.45 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.96 1pla s HIS 37 Cb -0.28 -1.56 0.03 0.00 1.11 0.00 0.00 32.58 31.88 1pla s HIS 37 CO 0.36 0.38 0.29 1.21 -0.85 0.00 0.00 174.74 176.13 1pla s ASN 38 N -3.85 -0.31 -0.22 1.40 3.04 -1.26 -3.09 114.94 110.66 1pla s ASN 38 Ca 0.37 0.59 -0.01 0.00 0.04 0.00 0.00 52.86 53.85 1pla s ASN 38 Cb -0.05 0.60 0.02 0.00 -1.54 0.00 0.00 41.25 40.28 1pla s ASN 38 CO 0.23 -0.10 -0.11 -0.63 -3.04 0.00 0.00 177.10 173.45 1pla s ILE 39 N 0.18 2.65 0.20 -5.21 1.09 -1.26 -4.03 121.20 114.82 1pla s ILE 39 Ca -0.00 -0.89 0.05 0.00 -1.10 0.00 0.00 60.65 58.71 1pla s ILE 39 Cb -0.02 -2.24 -0.05 0.00 -1.06 0.00 0.00 42.46 39.09 1pla s ILE 39 CO 0.00 0.38 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.45 1pla s VAL 40 N 1.34 1.29 -0.16 2.92 1.01 -0.96 -1.02 120.40 124.82 1pla s VAL 40 Ca 0.03 -2.09 0.01 0.00 0.00 0.00 0.00 61.98 59.94 1pla s VAL 40 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1pla s VAL 40 CO -0.07 -0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 173.94 1pla s PHE 41 N -3.25 2.59 -0.16 5.22 0.40 -1.26 -2.05 117.98 119.46 1pla s PHE 41 Ca 0.23 -1.43 -0.34 0.00 -0.60 0.00 0.00 56.93 54.78 1pla s PHE 41 Cb 0.03 -1.80 -0.11 0.00 0.51 0.00 0.00 43.02 41.65 1pla s PHE 41 CO 0.06 -0.70 1.95 -3.47 0.70 0.00 0.00 175.22 173.76 1pla n ASP 42 N 4.44 3.12 -1.53 1.36 2.03 -0.69 -4.79 116.55 120.48 1pla n ASP 42 Ca -0.20 0.82 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1pla n ASP 42 Cb 0.51 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 1pla n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1pla n GLU 43 N 6.99 0.82 0.00 -0.67 1.02 -1.26 -2.66 120.64 124.88 1pla n GLU 43 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1pla n GLU 43 Cb 0.28 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pla n ASP 44 N 1.50 0.00 0.00 1.62 8.00 -1.26 -4.86 116.55 121.55 1pla n ASP 44 Ca 0.00 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1pla n ASP 44 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 1.14 -3.68 -1.24 4.71 -1.09 -5.06 120.64 115.42 1pla n GLU 45 Ca 0.00 -0.86 -0.33 0.00 -0.01 0.00 0.00 57.16 55.96 1pla n GLU 45 Cb 0.17 -0.73 -0.05 0.00 -1.01 0.00 0.00 31.44 29.82 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pla s VAL 46 N -0.40 5.19 0.61 2.62 1.01 -1.22 -4.33 120.40 123.87 1pla s VAL 46 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1pla s VAL 46 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 1pla s VAL 46 CO 0.00 0.15 0.50 -2.65 0.00 0.00 0.00 175.10 173.10 1pla n PRO 47 N 0.44 0.45 -1.05 2.72 -0.01 -1.26 -4.77 135.00 131.52 1pla n PRO 47 Ca -0.05 0.18 -0.23 0.00 -0.01 0.00 0.00 63.50 63.39 1pla n PRO 47 Cb 0.52 -1.72 -0.09 0.00 -0.01 0.00 0.00 33.50 32.20 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 -1.88 6.47 0.00 3.55 0.00 -1.26 -3.33 120.51 124.07 1pla n ALA 48 Ca 0.11 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1pla n ALA 48 Cb 0.48 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 3.06 0.17 3.48 0.00 0.00 -1.26 -5.05 105.19 105.59 1pla n GLY 49 Ca 0.55 -0.12 -0.43 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 -1.09 4.37 0.90 1.61 1.01 -1.21 -5.01 120.40 120.98 1pla s VAL 50 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1pla s VAL 50 Cb 0.00 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.51 1pla s VAL 50 CO 0.00 -1.60 -0.02 0.59 0.00 0.00 0.00 175.10 174.07 1pla n ASN 51 N 7.57 -3.39 -0.01 3.32 4.13 -1.26 -4.72 115.26 120.89 1pla n ASN 51 Ca 0.15 0.35 0.01 0.00 1.68 0.00 0.00 54.58 56.77 1pla n ASN 51 Cb 0.48 -1.03 -0.12 0.00 -1.54 0.00 0.00 39.78 37.57 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 -2.87 2.09 0.48 5.41 0.00 -1.26 -4.03 120.51 120.33 1pla n ALA 52 Ca 0.04 -0.74 0.11 0.00 0.00 0.00 0.00 53.44 52.85 1pla n ALA 52 Cb 0.53 -0.69 0.44 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.66 0.14 0.04 0.00 1.02 -1.26 -0.20 120.64 117.72 1pla n GLU 53 Ca -0.14 0.33 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 1pla n GLU 53 Cb 0.84 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1pla n GLU 53 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1pla h LYS 54 N 0.00 0.33 0.00 3.49 1.79 -1.95 -3.38 116.57 116.86 1pla h LYS 54 Ca 0.00 -0.57 -0.18 0.00 -2.18 0.00 0.00 60.65 57.72 1pla h LYS 54 Cb 0.39 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 1pla h LYS 54 CO 0.00 1.26 -1.54 0.44 -1.08 0.00 0.00 179.45 178.53 1pla n ILE 55 N -3.53 1.14 -0.24 1.86 -5.35 -1.15 -4.93 119.36 107.16 1pla n ILE 55 Ca -0.28 -0.70 -0.17 0.00 -0.27 0.00 0.00 62.75 61.34 1pla n ILE 55 Cb 1.06 -0.68 0.16 0.00 -1.74 0.00 0.00 39.64 38.45 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 -2.84 -3.08 -3.21 7.28 7.64 0.72 -4.98 113.62 115.16 1pla n SER 56 Ca -0.11 -0.48 -0.21 0.00 1.01 0.00 0.00 58.87 59.07 1pla n SER 56 Cb 0.85 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 1pla n SER 56 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1pla n GLN 57 N -3.20 0.36 0.29 1.43 7.27 -0.19 -4.97 117.38 118.38 1pla n GLN 57 Ca 0.08 -2.88 0.16 0.00 0.07 0.00 0.00 57.00 54.43 1pla n GLN 57 Cb 0.33 -1.56 0.95 0.00 2.41 0.00 0.00 30.24 32.37 1pla n GLN 57 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1pla h PRO 58 N 5.20 0.00 -6.27 3.69 0.11 -1.94 -3.38 132.00 129.41 1pla h PRO 58 Ca 0.18 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.76 1pla h PRO 58 Cb 0.95 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 1pla h PRO 58 CO 0.31 0.00 1.13 -1.21 -0.21 0.00 0.00 178.00 178.02 1pla s GLU 59 N -4.56 3.09 1.11 1.05 2.02 -1.26 -4.99 118.70 115.16 1pla s GLU 59 Ca -0.05 -0.10 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 1pla s GLU 59 Cb 0.15 -4.27 0.20 0.00 0.10 0.00 0.00 34.13 30.31 1pla s GLU 59 CO 0.52 -2.28 0.68 0.66 0.02 0.00 0.00 175.26 174.87 1pla n TYR 60 N 10.07 -1.08 -3.68 1.61 4.01 -1.26 -4.98 117.16 121.85 1pla n TYR 60 Ca 0.08 0.03 -0.28 0.00 -0.16 0.00 0.00 57.90 57.56 1pla n TYR 60 Cb 0.50 -1.70 -0.16 0.00 -0.31 0.00 0.00 39.34 37.66 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pla s LEU 61 N -4.89 1.23 0.00 7.72 2.34 -1.18 -4.96 118.68 118.95 1pla s LEU 61 Ca 0.64 -1.11 0.15 0.00 0.06 0.00 0.00 54.13 53.86 1pla s LEU 61 Cb -0.21 -0.58 0.27 0.00 -0.56 0.00 0.00 46.19 45.11 1pla s LEU 61 CO 0.65 -0.37 1.16 0.59 -1.06 0.00 0.00 176.35 177.33 1pla n ASN 62 N 5.06 2.77 -4.81 1.48 4.13 -1.26 -2.54 115.26 120.08 1pla n ASN 62 Ca -0.06 -1.82 -0.38 0.00 1.68 0.00 0.00 54.58 54.00 1pla n ASN 62 Cb 0.45 -0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.47 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pla s GLY 63 N -1.14 2.59 -0.08 7.41 0.00 -1.26 -4.84 107.32 110.01 1pla s GLY 63 Ca 0.25 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.60 1pla s GLY 63 CO 0.20 0.37 1.27 0.00 0.00 0.00 0.00 173.10 174.94 1pla s ALA 64 N -0.99 3.56 0.00 3.20 0.00 -1.26 -2.69 121.76 123.58 1pla s ALA 64 Ca 0.27 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1pla s ALA 64 Cb -0.18 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1pla s ALA 64 CO 0.16 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1pla n GLY 65 N 3.52 0.06 3.62 0.00 0.00 -1.24 -5.06 105.19 106.09 1pla n GLY 65 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1pla n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pla n GLU 66 N -1.98 0.80 -3.74 1.61 -0.58 -1.09 -4.61 120.64 111.05 1pla n GLU 66 Ca 0.00 0.32 -0.10 0.00 -0.42 0.00 0.00 57.16 56.97 1pla n GLU 66 Cb 0.00 -2.21 -0.06 0.00 -0.57 0.00 0.00 31.44 28.60 1pla n GLU 66 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1pla s THR 67 N -1.57 0.10 0.35 2.62 -4.23 -1.26 -1.43 115.64 110.22 1pla s THR 67 Ca 0.77 -0.86 0.05 0.00 -1.18 0.00 0.00 61.69 60.47 1pla s THR 67 Cb -0.39 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 1pla s THR 67 CO 0.47 -0.47 0.20 -0.47 -0.54 0.00 0.00 174.62 173.81 1pla s TYR 68 N -3.83 1.71 0.02 3.99 5.04 -0.60 -4.96 117.35 118.71 1pla s TYR 68 Ca 0.04 -1.46 -0.07 0.00 -2.44 0.00 0.00 57.07 53.14 1pla s TYR 68 Cb 0.03 -0.89 -0.00 0.00 0.35 0.00 0.00 41.96 41.45 1pla s TYR 68 CO -0.11 -0.59 0.14 -1.21 -1.34 0.00 0.00 175.55 172.44 1pla s GLU 69 N -3.65 0.55 -0.27 4.97 2.02 -1.26 -2.13 118.70 118.93 1pla s GLU 69 Ca 0.34 -0.52 -0.14 0.00 0.02 0.00 0.00 54.97 54.67 1pla s GLU 69 Cb 0.03 0.23 0.09 0.00 0.10 0.00 0.00 34.13 34.58 1pla s GLU 69 CO 0.20 -0.14 0.64 0.54 0.02 0.00 0.00 175.26 176.52 1pla s VAL 70 N -1.88 -0.21 -0.52 2.63 0.11 -0.79 -5.00 120.40 114.75 1pla s VAL 70 Ca -0.11 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1pla s VAL 70 Cb -0.05 -0.94 0.13 0.00 -1.53 0.00 0.00 36.38 33.99 1pla s VAL 70 CO -0.01 0.01 0.30 -0.89 -3.33 0.00 0.00 175.10 171.18 1pla s THR 71 N 1.88 3.21 0.56 5.04 2.01 -1.26 -2.26 115.64 124.83 1pla s THR 71 Ca -0.09 -2.74 -0.15 0.00 0.31 0.00 0.00 61.69 59.02 1pla s THR 71 Cb -0.07 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1pla s THR 71 CO -0.19 -0.78 1.01 -0.76 -0.69 0.00 0.00 174.62 173.21 1pla s LEU 72 N 0.30 3.49 -0.25 4.42 1.43 -1.26 -4.99 118.68 121.82 1pla s LEU 72 Ca 0.14 1.56 0.17 0.00 -1.03 0.00 0.00 54.13 54.97 1pla s LEU 72 Cb -0.22 -4.50 0.41 0.00 0.03 0.00 0.00 46.19 41.91 1pla s LEU 72 CO -0.03 -0.76 1.30 0.35 0.23 0.00 0.00 176.35 177.44 1pla n THR 73 N -1.98 0.49 -3.89 5.49 -2.24 -1.26 -3.90 114.28 106.99 1pla n THR 73 Ca 0.07 -1.65 -0.30 0.00 -2.27 0.00 0.00 64.05 59.90 1pla n THR 73 Cb 0.54 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.38 -0.98 -0.78 8.01 -1.26 -4.97 118.70 118.71 1pla s GLU 74 Ca 0.17 -1.87 -0.30 0.00 0.01 0.00 0.00 54.97 52.98 1pla s GLU 74 Cb 0.36 -2.82 -0.22 0.00 -4.31 0.00 0.00 34.13 27.14 1pla s GLU 74 CO -0.09 -1.02 2.62 1.63 0.01 0.00 0.00 175.26 178.41 1pla n LYS 75 N 4.04 0.00 0.00 1.61 5.02 -1.26 -4.48 118.16 123.09 1pla n LYS 75 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1pla n LYS 75 Cb 0.39 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 6.32 -0.82 3.26 0.72 0.00 -0.19 -4.94 105.19 109.54 1pla n GLY 76 Ca 0.64 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.16 0.01 -0.09 2.61 2.01 -1.26 -1.41 115.64 115.35 1pla s THR 77 Ca 0.00 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1pla s THR 77 Cb 0.00 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.97 1pla s THR 77 CO 0.00 -0.06 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.45 1pla s TYR 78 N -0.19 1.55 -0.33 4.92 1.51 -0.88 -4.26 117.35 119.67 1pla s TYR 78 Ca -0.03 -0.68 -0.13 0.00 -1.01 0.00 0.00 57.07 55.21 1pla s TYR 78 Cb -0.03 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 1pla s TYR 78 CO 0.02 -0.40 0.26 0.15 -1.11 0.00 0.00 175.55 174.47 1pla s LYS 79 N 1.11 3.61 0.36 -0.62 3.01 -1.26 -2.50 119.74 123.44 1pla s LYS 79 Ca -0.06 -0.51 0.06 0.00 -1.01 0.00 0.00 55.97 54.45 1pla s LYS 79 Cb -0.14 -3.78 -0.07 0.00 -1.01 0.00 0.00 37.83 32.83 1pla s LYS 79 CO -0.02 -0.41 0.01 -0.59 0.51 0.00 0.00 175.35 174.85 1pla s PHE 80 N 1.81 2.25 0.09 3.18 -0.71 0.04 -1.70 117.98 122.94 1pla s PHE 80 Ca 0.08 -0.76 -0.16 0.00 -1.04 0.00 0.00 56.93 55.05 1pla s PHE 80 Cb -0.17 -1.49 0.06 0.00 -1.21 0.00 0.00 43.02 40.21 1pla s PHE 80 CO 0.11 0.29 0.76 2.48 -1.34 0.00 0.00 175.22 177.51 1pla n TYR 81 N -0.81 -0.90 -4.04 3.49 4.11 -0.87 0.14 117.16 118.28 1pla n TYR 81 Ca -0.04 -0.78 -0.35 0.00 -0.00 0.00 0.00 57.90 56.74 1pla n TYR 81 Cb 0.66 0.37 -0.11 0.00 -0.00 0.00 0.00 39.34 40.26 1pla n TYR 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pla h GLU 83 N 7.14 0.54 0.00 0.00 4.22 -1.91 -2.56 114.58 122.01 1pla h GLU 83 Ca -0.36 -0.50 -0.00 0.00 0.08 0.00 0.00 59.36 58.58 1pla h GLU 83 Cb 1.18 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1pla h GLU 83 CO 0.65 1.13 -0.00 -1.00 -2.18 0.00 0.00 179.01 177.61 1pla h PRO 84 N 0.34 -0.00 -0.63 0.92 0.14 -1.94 -3.09 132.00 127.74 1pla h PRO 84 Ca -0.07 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.07 1pla h PRO 84 Cb 1.47 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.61 1pla h PRO 84 CO 0.16 0.55 0.00 0.72 0.14 0.00 0.00 178.00 179.57 1pla n HIS 85 N -4.83 0.32 0.27 1.56 8.25 -1.25 -4.01 115.22 115.52 1pla n HIS 85 Ca -0.09 -0.12 0.03 0.00 -0.26 0.00 0.00 57.72 57.28 1pla n HIS 85 Cb 0.28 -0.11 0.14 0.00 1.12 0.00 0.00 29.99 31.42 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 0.04 1.44 0.83 -1.41 0.00 -0.96 -0.78 120.51 119.66 1pla n ALA 86 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1pla n ALA 86 Cb 0.31 -1.10 0.24 0.00 0.00 0.00 0.00 19.45 18.91 1pla n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 87 N -0.80 -1.33 0.13 0.00 0.00 -1.26 -4.12 105.19 97.82 1pla n GLY 87 Ca 0.03 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1pla n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla n ALA 88 N -1.63 1.23 0.00 4.61 0.00 0.04 -5.01 120.51 119.75 1pla n ALA 88 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1pla n ALA 88 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.97 1.14 3.61 0.00 0.00 -1.17 -5.07 105.19 105.67 1pla n GLY 89 Ca -0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 3.76 0.16 1.61 0.00 -1.24 -4.94 119.30 118.65 1pla s MET 90 Ca 0.00 0.68 0.03 0.00 0.00 0.00 0.00 55.69 56.40 1pla s MET 90 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 34.83 30.89 1pla s MET 90 CO 0.00 -1.33 -0.04 -1.59 0.00 0.00 0.00 175.02 172.06 1pla s LYS 91 N 4.40 1.06 0.02 4.11 -2.85 -1.26 -2.68 119.74 122.54 1pla s LYS 91 Ca 0.49 -1.49 -0.06 0.00 -1.00 0.00 0.00 55.97 53.91 1pla s LYS 91 Cb -0.09 -0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 35.31 1pla s LYS 91 CO 0.30 -0.06 0.11 0.20 0.10 0.00 0.00 175.35 176.00 1pla s GLY 92 N -3.16 0.11 -0.08 0.59 0.00 0.38 -4.01 107.32 101.15 1pla s GLY 92 Ca 0.20 -0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.38 1pla s GLY 92 CO 0.02 -0.47 0.48 -0.54 0.00 0.00 0.00 173.10 172.59 1pla s GLU 93 N -1.93 0.76 -0.08 2.90 2.02 -0.82 -0.78 118.70 120.78 1pla s GLU 93 Ca -0.11 0.23 -0.03 0.00 0.02 0.00 0.00 54.97 55.09 1pla s GLU 93 Cb -0.05 0.35 0.04 0.00 0.10 0.00 0.00 34.13 34.58 1pla s GLU 93 CO -0.01 -0.19 0.16 0.54 0.02 0.00 0.00 175.26 175.78 1pla s VAL 94 N -0.77 -0.13 -0.45 2.63 0.11 -1.04 -2.26 120.40 118.49 1pla s VAL 94 Ca -0.08 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.10 1pla s VAL 94 Cb -0.03 -0.27 0.10 0.00 -1.53 0.00 0.00 36.38 34.65 1pla s VAL 94 CO 0.05 0.10 0.33 -0.89 -3.33 0.00 0.00 175.10 171.35 1pla s THR 95 N 1.57 4.39 0.22 5.04 2.01 -0.99 -2.07 115.64 125.81 1pla s THR 95 Ca -0.05 -1.54 -0.26 0.00 0.31 0.00 0.00 61.69 60.15 1pla s THR 95 Cb -0.12 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1pla s THR 95 CO -0.06 -0.65 0.84 -0.69 -0.69 0.00 0.00 174.62 173.36 1pla s VAL 96 N 1.43 4.30 0.00 3.82 1.01 -0.50 -1.01 120.40 129.45 1pla s VAL 96 Ca 0.04 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1pla s VAL 96 Cb -0.25 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1pla s VAL 96 CO 0.01 0.41 0.00 -0.46 0.00 0.00 0.00 175.10 175.06