#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1byp s GLU 2 N 0.00 2.10 -0.10 0.00 2.12 -1.26 -0.54 118.70 121.02 1byp s GLU 2 Ca 0.00 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.58 1byp s GLU 2 Cb 0.00 -1.86 0.01 0.00 0.26 0.00 0.00 34.13 32.54 1byp s GLU 2 CO 0.00 0.37 -0.20 0.08 -0.54 0.00 0.00 175.26 174.97 1byp s VAL 3 N -0.22 1.81 0.11 3.70 1.01 -0.20 -4.77 120.40 121.85 1byp s VAL 3 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1byp s VAL 3 Cb -0.11 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 1byp s VAL 3 CO 0.02 0.50 0.75 -0.76 0.00 0.00 0.00 175.10 175.61 1byp s LEU 4 N 0.51 4.54 -0.52 3.92 1.43 0.57 -1.30 118.68 127.83 1byp s LEU 4 Ca -0.16 1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 54.31 1byp s LEU 4 Cb -0.17 -3.23 0.09 0.00 0.03 0.00 0.00 46.19 42.91 1byp s LEU 4 CO 0.06 0.15 0.52 -0.76 0.23 0.00 0.00 176.35 176.55 1byp s LEU 5 N -0.76 5.60 0.00 1.79 1.43 0.13 -1.29 118.68 125.59 1byp s LEU 5 Ca 0.36 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1byp s LEU 5 Cb -0.22 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1byp s LEU 5 CO 0.24 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1byp n GLY 6 N 5.22 1.44 3.93 -3.19 0.00 -0.01 -0.96 105.19 111.62 1byp n GLY 6 Ca -0.11 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1byp n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1byp s SER 7 N -0.46 6.36 0.42 1.61 0.15 -0.01 -4.27 113.70 117.50 1byp s SER 7 Ca 0.00 0.47 0.18 0.00 0.70 0.00 0.00 55.95 57.30 1byp s SER 7 Cb 0.00 -2.04 0.93 0.00 -1.71 0.00 0.00 66.02 63.20 1byp s SER 7 CO 0.00 -0.18 1.88 0.77 1.20 0.00 0.00 173.24 176.91 1byp h SER 8 N 1.38 0.00 0.00 5.45 4.64 -1.93 -0.91 113.55 122.17 1byp h SER 8 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1byp h SER 8 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1byp h SER 8 CO 0.64 0.29 0.00 -0.90 -0.87 0.00 0.00 176.83 176.00 1byp n ASP 9 N -3.84 0.00 0.00 4.97 5.75 -1.26 -4.88 116.55 117.29 1byp n ASP 9 Ca -0.01 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1byp n ASP 9 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1byp n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1byp n GLY 10 N 0.91 0.51 3.71 6.12 0.00 -0.35 -5.06 105.19 111.02 1byp n GLY 10 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1byp n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1byp n GLY 11 N -1.87 1.49 3.30 -0.02 0.00 -1.24 -4.73 105.19 102.12 1byp n GLY 11 Ca 0.00 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 1byp n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1byp n LEU 12 N 4.07 5.56 -3.92 0.99 7.99 -1.26 -0.83 117.00 129.60 1byp n LEU 12 Ca 0.16 -3.99 -0.09 0.00 -0.01 0.00 0.00 56.01 52.08 1byp n LEU 12 Cb 0.34 -1.72 -0.09 0.00 -0.11 0.00 0.00 43.42 41.84 1byp n LEU 12 CO 0.64 0.46 -0.20 0.00 -1.51 0.00 0.00 177.39 176.78 1byp s ALA 13 N 3.90 -0.10 0.22 -1.18 0.00 -1.26 -3.44 121.76 119.91 1byp s ALA 13 Ca 0.52 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 1byp s ALA 13 Cb 0.07 0.26 -0.08 0.00 0.00 0.00 0.00 23.12 23.37 1byp s ALA 13 CO 0.02 -0.33 1.04 -0.06 0.00 0.00 0.00 175.76 176.44 1byp s PHE 14 N -2.67 3.71 -0.24 0.00 0.08 -1.26 -0.83 117.98 116.77 1byp s PHE 14 Ca -0.04 1.74 0.00 0.00 0.12 0.00 0.00 56.93 58.74 1byp s PHE 14 Cb -0.01 -3.18 0.07 0.00 -0.57 0.00 0.00 43.02 39.33 1byp s PHE 14 CO -0.05 -0.23 -0.01 0.08 -0.10 0.00 0.00 175.22 174.91 1byp s VAL 15 N -0.78 1.30 0.73 -0.44 1.01 -0.41 -2.82 120.40 118.99 1byp s VAL 15 Ca 0.45 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1byp s VAL 15 Cb -0.29 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1byp s VAL 15 CO 0.36 -0.22 1.11 -2.16 0.00 0.00 0.00 175.10 174.19 1byp s PRO 16 N 1.48 2.64 0.00 2.72 0.04 -1.26 -0.31 135.00 140.30 1byp s PRO 16 Ca -0.02 0.40 0.20 0.00 0.04 0.00 0.00 61.00 61.63 1byp s PRO 16 Cb -0.18 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1byp s PRO 16 CO -0.09 -1.18 1.03 -1.13 0.04 0.00 0.00 177.00 175.67 1byp n SER 17 N -3.10 2.00 -3.61 6.66 3.41 -1.13 -4.81 113.62 113.05 1byp n SER 17 Ca 0.07 -1.50 -0.20 0.00 -0.26 0.00 0.00 58.87 56.98 1byp n SER 17 Cb 0.58 0.42 -0.16 0.00 -0.26 0.00 0.00 64.21 64.79 1byp n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1byp s ASP 18 N -2.22 1.33 0.13 4.04 2.15 -1.25 -1.00 116.67 119.85 1byp s ASP 18 Ca 0.18 -0.05 -0.02 0.00 0.43 0.00 0.00 52.55 53.08 1byp s ASP 18 Cb 0.16 0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.86 1byp s ASP 18 CO 0.49 -0.29 0.08 -1.48 -0.17 0.00 0.00 175.17 173.80 1byp s LEU 19 N 2.25 1.70 -0.04 -1.34 2.34 -0.92 -5.01 118.68 117.65 1byp s LEU 19 Ca 0.04 -1.16 0.07 0.00 0.06 0.00 0.00 54.13 53.13 1byp s LEU 19 Cb -0.14 0.40 -0.01 0.00 -0.56 0.00 0.00 46.19 45.87 1byp s LEU 19 CO -0.08 -0.74 -0.25 -0.44 -1.06 0.00 0.00 176.35 173.78 1byp s SER 20 N -3.04 3.02 0.25 1.48 0.01 -1.26 -1.24 113.70 112.91 1byp s SER 20 Ca 0.23 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.02 1byp s SER 20 Cb 0.07 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.61 1byp s SER 20 CO 0.01 0.27 0.05 0.27 0.41 0.00 0.00 173.24 174.26 1byp s ILE 21 N -0.32 0.78 0.25 1.44 -4.36 -0.23 -4.96 121.20 113.79 1byp s ILE 21 Ca 0.01 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.22 1byp s ILE 21 Cb -0.12 -2.52 -0.08 0.00 1.25 0.00 0.00 42.46 40.99 1byp s ILE 21 CO 0.02 -0.15 0.71 0.00 0.24 0.00 0.00 174.94 175.77 1byp s ALA 22 N -3.60 3.40 0.06 2.27 0.00 -1.26 -1.02 121.76 121.61 1byp s ALA 22 Ca 0.33 0.10 -0.35 0.00 0.00 0.00 0.00 51.96 52.04 1byp s ALA 22 Cb 0.07 -2.78 -0.14 0.00 0.00 0.00 0.00 23.12 20.27 1byp s ALA 22 CO 0.11 0.34 1.59 0.45 0.00 0.00 0.00 175.76 178.26 1byp n SER 23 N 0.39 2.75 0.00 0.00 2.88 0.12 -1.28 113.62 118.48 1byp n SER 23 Ca -0.01 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1byp n SER 23 Cb 0.52 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1byp n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1byp n GLY 24 N 3.46 0.71 3.75 0.46 0.00 0.39 -4.97 105.19 108.99 1byp n GLY 24 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1byp n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1byp s GLU 25 N -0.64 4.69 -0.09 1.61 2.12 -0.40 -4.80 118.70 121.18 1byp s GLU 25 Ca 0.00 1.70 -0.24 0.00 0.36 0.00 0.00 54.97 56.79 1byp s GLU 25 Cb 0.00 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1byp s GLU 25 CO 0.00 0.27 0.76 0.21 -0.54 0.00 0.00 175.26 175.96 1byp s LYS 26 N -1.17 4.40 -0.22 4.30 2.20 -1.26 -2.74 119.74 125.25 1byp s LYS 26 Ca 0.44 0.96 -0.10 0.00 -0.36 0.00 0.00 55.97 56.91 1byp s LYS 26 Cb -0.30 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 1byp s LYS 26 CO 0.37 -0.06 0.13 0.42 -0.36 0.00 0.00 175.35 175.85 1byp s ILE 27 N 1.21 5.25 -0.27 5.43 1.01 0.67 -1.07 121.20 133.43 1byp s ILE 27 Ca 0.39 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.10 1byp s ILE 27 Cb -0.18 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1byp s ILE 27 CO 0.17 0.40 0.07 -0.89 0.00 0.00 0.00 174.94 174.69 1byp s THR 28 N 0.73 4.13 -0.27 2.92 2.01 0.30 -1.43 115.64 124.03 1byp s THR 28 Ca 0.07 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1byp s THR 28 Cb -0.13 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1byp s THR 28 CO 0.02 0.22 0.47 -0.36 -0.69 0.00 0.00 174.62 174.27 1byp s PHE 29 N 1.56 3.25 -0.11 4.92 0.08 0.12 -1.03 117.98 126.77 1byp s PHE 29 Ca 0.05 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.64 1byp s PHE 29 Cb -0.16 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1byp s PHE 29 CO 0.03 -0.28 -0.18 0.21 -0.10 0.00 0.00 175.22 174.90 1byp s LYS 30 N 2.23 3.13 0.12 0.44 2.20 -0.42 -1.30 119.74 126.14 1byp s LYS 30 Ca 0.19 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.72 1byp s LYS 30 Cb -0.16 -2.46 -0.09 0.00 -1.51 0.00 0.00 37.83 33.61 1byp s LYS 30 CO 0.10 0.25 1.64 -0.80 -0.36 0.00 0.00 175.35 176.18 1byp s ASN 31 N 0.21 6.57 0.00 1.43 0.01 -0.17 -0.69 114.94 122.30 1byp s ASN 31 Ca -0.11 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 1byp s ASN 31 Cb -0.16 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1byp s ASN 31 CO 0.06 -0.88 0.00 -3.20 -1.51 0.00 0.00 177.10 171.57 1byp n ASN 32 N 4.95 0.60 -3.46 -1.22 5.15 -0.13 -3.63 115.26 117.52 1byp n ASN 32 Ca 0.15 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.02 1byp n ASN 32 Cb 0.39 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.62 1byp n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1byp s ALA 33 N -1.99 -1.69 -0.89 5.20 0.00 -0.89 -4.97 121.76 116.55 1byp s ALA 33 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1byp s ALA 33 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1byp s ALA 33 CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1byp n GLY 34 N -0.17 0.98 3.80 0.00 0.00 -1.26 -4.02 105.19 104.52 1byp n GLY 34 Ca -0.15 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1byp n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1byp s PHE 35 N -2.32 2.78 0.67 1.61 -0.12 -1.26 -4.75 117.98 114.58 1byp s PHE 35 Ca 0.00 1.10 -0.11 0.00 -0.05 0.00 0.00 56.93 57.86 1byp s PHE 35 Cb 0.00 -3.17 -0.01 0.00 -0.63 0.00 0.00 43.02 39.21 1byp s PHE 35 CO 0.00 -1.87 1.06 -1.25 -0.05 0.00 0.00 175.22 173.10 1byp s PRO 36 N -5.18 3.21 0.11 1.99 0.04 -1.26 -5.07 135.00 128.83 1byp s PRO 36 Ca 0.61 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 1byp s PRO 36 Cb -0.14 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1byp s PRO 36 CO 0.54 -0.84 0.08 -1.01 0.04 0.00 0.00 177.00 175.81 1byp s HIS 37 N -3.22 0.63 0.25 0.56 3.76 -1.00 -4.92 115.29 111.35 1byp s HIS 37 Ca 0.57 -1.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 1byp s HIS 37 Cb -0.12 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 1byp s HIS 37 CO 0.53 -0.51 0.29 0.27 -0.85 0.00 0.00 174.74 174.47 1byp n ASN 38 N -0.05 -0.80 -3.96 1.40 0.23 -1.26 -0.50 115.26 110.32 1byp n ASN 38 Ca -0.09 -2.46 -0.20 0.00 -0.53 0.00 0.00 54.58 51.29 1byp n ASN 38 Cb 0.63 1.59 -0.16 0.00 -2.08 0.00 0.00 39.78 39.76 1byp n ASN 38 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1byp s ASP 39 N -2.62 1.11 -0.03 0.53 1.47 -1.26 -4.08 116.67 111.79 1byp s ASP 39 Ca 0.24 -0.17 0.02 0.00 1.18 0.00 0.00 52.55 53.82 1byp s ASP 39 Cb 0.00 -0.39 0.01 0.00 -0.34 0.00 0.00 42.92 42.20 1byp s ASP 39 CO 0.17 0.02 -0.06 -0.22 0.68 0.00 0.00 175.17 175.76 1byp s LEU 40 N 0.46 1.56 0.11 2.11 0.20 0.30 -1.34 118.68 122.08 1byp s LEU 40 Ca -0.07 -0.14 -0.15 0.00 0.69 0.00 0.00 54.13 54.46 1byp s LEU 40 Cb -0.11 -0.46 -0.07 0.00 -0.43 0.00 0.00 46.19 45.13 1byp s LEU 40 CO 0.01 -0.00 0.52 -0.36 -0.29 0.00 0.00 176.35 176.23 1byp s PHE 41 N 0.56 3.66 -0.37 5.38 0.40 -1.26 -0.54 117.98 125.81 1byp s PHE 41 Ca -0.08 1.07 -0.29 0.00 -0.60 0.00 0.00 56.93 57.04 1byp s PHE 41 Cb -0.11 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.07 1byp s PHE 41 CO 0.00 0.49 1.16 0.34 0.70 0.00 0.00 175.22 177.92 1byp s ASP 42 N -1.53 6.76 0.64 1.36 -1.08 -0.62 -4.93 116.67 117.27 1byp s ASP 42 Ca 0.34 0.90 0.32 0.00 -0.52 0.00 0.00 52.55 53.59 1byp s ASP 42 Cb -0.16 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.50 1byp s ASP 42 CO 0.18 -1.06 2.02 0.07 0.52 0.00 0.00 175.17 176.90 1byp h LYS 43 N 8.82 0.00 0.00 4.34 2.10 -1.96 -0.37 116.57 129.51 1byp h LYS 43 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1byp h LYS 43 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1byp h LYS 43 CO 1.06 0.00 -0.77 1.63 -2.00 0.00 0.00 179.45 179.38 1byp n LYS 44 N -3.21 0.08 -2.41 0.07 4.01 -1.26 -4.37 118.16 111.05 1byp n LYS 44 Ca -0.00 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.60 1byp n LYS 44 Cb 0.36 -1.53 0.02 0.00 -0.51 0.00 0.00 35.03 33.37 1byp n LYS 44 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1byp n GLU 45 N -1.62 2.91 -4.33 1.97 -0.58 -0.15 -5.04 120.64 113.80 1byp n GLU 45 Ca 0.04 -4.08 -0.18 0.00 -0.42 0.00 0.00 57.16 52.52 1byp n GLU 45 Cb 0.36 -2.02 -0.10 0.00 -0.57 0.00 0.00 31.44 29.11 1byp n GLU 45 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1byp s VAL 46 N -4.65 1.65 0.93 2.62 -7.23 -1.22 -1.34 120.40 111.17 1byp s VAL 46 Ca 0.43 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1byp s VAL 46 Cb 0.40 -1.99 0.13 0.00 0.56 0.00 0.00 36.38 35.48 1byp s VAL 46 CO -0.07 -0.60 0.98 -2.65 -0.31 0.00 0.00 175.10 172.45 1byp n PRO 47 N -0.30 -0.47 -2.02 4.82 -0.02 -1.25 -4.95 135.00 130.81 1byp n PRO 47 Ca -0.09 -0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 60.93 1byp n PRO 47 Cb 0.60 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1byp n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1byp s ALA 48 N -2.58 3.13 0.00 3.55 0.00 -1.26 -2.75 121.76 121.86 1byp s ALA 48 Ca 0.65 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1byp s ALA 48 Cb -0.23 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1byp s ALA 48 CO 0.60 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1byp n GLY 49 N 0.63 2.36 3.71 0.00 0.00 -1.26 -5.02 105.19 105.61 1byp n GLY 49 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1byp n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1byp s VAL 50 N -2.27 4.85 -0.49 1.61 1.01 -1.11 -5.03 120.40 118.98 1byp s VAL 50 Ca 0.00 2.03 -0.19 0.00 0.00 0.00 0.00 61.98 63.83 1byp s VAL 50 Cb 0.00 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.12 1byp s VAL 50 CO 0.00 0.18 0.58 -0.62 0.00 0.00 0.00 175.10 175.23 1byp s ASP 51 N 0.93 6.22 0.58 3.32 -1.08 -1.26 -4.94 116.67 120.44 1byp s ASP 51 Ca 0.51 -0.89 0.28 0.00 -0.52 0.00 0.00 52.55 51.93 1byp s ASP 51 Cb -0.21 -2.27 1.75 0.00 -1.46 0.00 0.00 42.92 40.72 1byp s ASP 51 CO 0.28 -0.82 2.23 1.62 0.52 0.00 0.00 175.17 178.99 1byp h VAL 52 N 5.84 0.57 0.00 1.11 3.04 -1.95 -2.12 116.25 122.73 1byp h VAL 52 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1byp h VAL 52 Cb 1.10 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1byp h VAL 52 CO 0.93 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 178.20 1byp h THR 53 N 0.00 0.00 0.00 3.17 1.35 -1.92 -1.03 112.91 114.49 1byp h THR 53 Ca 0.01 -0.64 -0.11 0.00 -0.55 0.00 0.00 66.41 65.12 1byp h THR 53 Cb 0.07 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 1byp h THR 53 CO -0.00 0.00 -0.96 0.50 -0.25 0.00 0.00 175.52 174.81 1byp h LYS 54 N 0.00 0.00 0.00 4.72 3.64 -1.80 -3.37 116.57 119.76 1byp h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1byp h LYS 54 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1byp h LYS 54 CO 0.00 0.28 -1.10 0.44 -2.27 0.00 0.00 179.45 176.80 1byp n ILE 55 N -2.97 0.00 -3.42 2.00 -5.35 -1.06 -4.96 119.36 103.60 1byp n ILE 55 Ca -0.03 -0.21 -0.31 0.00 -0.27 0.00 0.00 62.75 61.92 1byp n ILE 55 Cb 0.73 0.69 -0.05 0.00 -1.74 0.00 0.00 39.64 39.28 1byp n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1byp s SER 56 N -2.99 6.59 0.55 7.28 0.01 -0.41 -4.84 113.70 119.89 1byp s SER 56 Ca 0.02 0.87 -0.20 0.00 1.31 0.00 0.00 55.95 57.95 1byp s SER 56 Cb 0.11 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 1byp s SER 56 CO 0.66 -0.08 1.18 -0.04 0.41 0.00 0.00 173.24 175.38 1byp s MET 57 N -2.89 3.24 0.32 12.44 -1.94 -0.45 -4.91 119.30 125.10 1byp s MET 57 Ca 0.46 1.77 -0.29 0.00 -1.71 0.00 0.00 55.69 55.93 1byp s MET 57 Cb -0.11 -2.05 -0.12 0.00 2.01 0.00 0.00 34.83 34.55 1byp s MET 57 CO 0.23 -0.98 1.35 -2.30 -0.01 0.00 0.00 175.02 173.30 1byp n PRO 58 N -1.28 2.18 -0.18 2.03 -0.02 -1.26 -4.76 135.00 131.70 1byp n PRO 58 Ca 0.12 0.77 0.23 0.00 -2.02 0.00 0.00 63.50 62.59 1byp n PRO 58 Cb 0.49 -2.39 0.62 0.00 -0.02 0.00 0.00 33.50 32.20 1byp n PRO 58 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1byp h GLU 59 N 3.08 0.19 -0.01 -0.52 4.57 -1.95 -1.86 114.58 118.08 1byp h GLU 59 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1byp h GLU 59 Cb 1.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1byp h GLU 59 CO 0.67 0.13 -0.41 -0.85 -1.18 0.00 0.00 179.01 177.36 1byp n GLU 60 N -4.40 1.06 -2.75 1.92 0.00 -1.26 -4.89 120.64 110.31 1byp n GLU 60 Ca 0.18 -0.80 -0.40 0.00 0.00 0.00 0.00 57.16 56.13 1byp n GLU 60 Cb 0.78 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 30.68 1byp n GLU 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1byp s ASP 61 N -2.50 7.61 0.06 -1.84 1.11 -0.70 -5.06 116.67 115.35 1byp s ASP 61 Ca 0.20 1.94 0.06 0.00 0.18 0.00 0.00 52.55 54.93 1byp s ASP 61 Cb 0.18 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 1byp s ASP 61 CO 0.56 0.13 -0.16 -0.76 1.18 0.00 0.00 175.17 176.12 1byp s LEU 62 N -1.28 2.22 -0.40 1.23 1.02 -1.26 -4.71 118.68 115.50 1byp s LEU 62 Ca 0.42 -0.54 -0.20 0.00 0.02 0.00 0.00 54.13 53.83 1byp s LEU 62 Cb -0.25 -0.65 0.01 0.00 0.02 0.00 0.00 46.19 45.32 1byp s LEU 62 CO 0.31 0.02 0.60 -0.76 0.02 0.00 0.00 176.35 176.54 1byp s LEU 63 N -1.43 4.43 -0.16 1.79 1.43 0.34 -4.95 118.68 120.14 1byp s LEU 63 Ca 0.02 -0.18 0.17 0.00 -1.03 0.00 0.00 54.13 53.10 1byp s LEU 63 Cb -0.09 -2.69 -0.23 0.00 0.03 0.00 0.00 46.19 43.20 1byp s LEU 63 CO 0.02 -0.66 0.11 0.59 0.23 0.00 0.00 176.35 176.64 1byp n ASN 64 N 6.07 0.52 -4.68 2.29 3.02 -1.26 -2.38 115.26 118.84 1byp n ASN 64 Ca -0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.27 1byp n ASN 64 Cb 0.48 1.07 -0.07 0.00 -0.61 0.00 0.00 39.78 40.65 1byp n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1byp s ALA 65 N -2.56 3.24 0.30 5.41 0.00 -1.26 -4.64 121.76 122.25 1byp s ALA 65 Ca -0.09 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 1byp s ALA 65 Cb 0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 23.12 22.07 1byp s ALA 65 CO 0.75 0.44 1.44 -0.35 0.00 0.00 0.00 175.76 178.04 1byp n PRO 66 N -0.31 2.34 -0.05 0.00 -0.04 -1.26 -2.35 135.00 133.33 1byp n PRO 66 Ca -0.09 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1byp n PRO 66 Cb 0.56 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1byp n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1byp n GLY 67 N 1.58 1.96 3.74 0.55 0.00 -1.24 -5.01 105.19 106.77 1byp n GLY 67 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1byp n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1byp s GLU 68 N -0.32 2.54 0.06 1.61 2.02 -0.99 -4.67 118.70 118.96 1byp s GLU 68 Ca 0.00 1.73 0.02 0.00 0.02 0.00 0.00 54.97 56.74 1byp s GLU 68 Cb 0.00 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 1byp s GLU 68 CO 0.00 -1.52 -0.07 -1.21 0.02 0.00 0.00 175.26 172.48 1byp s GLU 69 N -3.73 0.64 -0.04 1.61 2.02 -1.26 -1.00 118.70 116.94 1byp s GLU 69 Ca 0.74 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 1byp s GLU 69 Cb -0.28 -0.25 0.03 0.00 0.10 0.00 0.00 34.13 33.72 1byp s GLU 69 CO 0.40 0.02 0.02 -0.47 0.02 0.00 0.00 175.26 175.26 1byp s TYR 70 N -2.24 0.27 0.06 1.61 5.04 -0.42 -4.98 117.35 116.69 1byp s TYR 70 Ca -0.02 0.06 0.08 0.00 -2.44 0.00 0.00 57.07 54.76 1byp s TYR 70 Cb -0.04 -0.49 -0.03 0.00 0.35 0.00 0.00 41.96 41.75 1byp s TYR 70 CO -0.02 -0.18 -0.21 -1.12 -1.34 0.00 0.00 175.55 172.68 1byp s SER 71 N 1.55 3.57 -0.14 4.32 0.01 -1.26 0.12 113.70 121.87 1byp s SER 71 Ca -0.03 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.56 1byp s SER 71 Cb -0.13 -0.47 0.04 0.00 0.21 0.00 0.00 66.02 65.68 1byp s SER 71 CO -0.03 0.24 0.42 0.54 0.41 0.00 0.00 173.24 174.82 1byp s VAL 72 N -0.93 0.01 -0.17 3.43 0.11 -0.51 -4.99 120.40 117.35 1byp s VAL 72 Ca 0.14 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1byp s VAL 72 Cb -0.10 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1byp s VAL 72 CO 0.05 -0.03 0.07 0.42 -3.33 0.00 0.00 175.10 172.28 1byp s THR 73 N 0.02 4.85 -0.13 5.04 -4.23 -1.26 -0.24 115.64 119.70 1byp s THR 73 Ca -0.02 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 1byp s THR 73 Cb -0.03 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1byp s THR 73 CO 0.01 0.49 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.82 1byp s LEU 74 N 0.07 3.50 -0.09 4.79 1.43 -1.11 -5.01 118.68 122.26 1byp s LEU 74 Ca 0.06 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1byp s LEU 74 Cb -0.12 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 1byp s LEU 74 CO 0.01 0.27 -0.09 0.35 0.23 0.00 0.00 176.35 177.11 1byp n THR 75 N 2.89 0.53 -2.26 5.49 -2.24 -1.26 -0.46 114.28 116.97 1byp n THR 75 Ca -0.18 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1byp n THR 75 Cb 0.53 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1byp n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1byp s GLU 76 N -2.18 4.36 0.52 -0.78 0.41 -1.26 -4.44 118.70 115.33 1byp s GLU 76 Ca -0.13 1.96 -0.19 0.00 -0.41 0.00 0.00 54.97 56.20 1byp s GLU 76 Cb 0.04 -3.29 -0.07 0.00 -1.78 0.00 0.00 34.13 29.03 1byp s GLU 76 CO 0.20 -0.37 1.08 0.15 -0.49 0.00 0.00 175.26 175.83 1byp s LYS 77 N 1.09 3.57 0.00 1.61 1.02 -1.26 -4.79 119.74 120.99 1byp s LYS 77 Ca 0.62 1.45 0.00 0.00 0.02 0.00 0.00 55.97 58.06 1byp s LYS 77 Cb -0.34 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1byp s LYS 77 CO 0.30 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1byp n GLY 78 N -0.15 0.66 3.65 -3.33 0.00 -0.71 -4.81 105.19 100.50 1byp n GLY 78 Ca 0.10 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1byp n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1byp s THR 79 N -1.16 4.54 -0.07 2.61 2.01 -1.26 -0.84 115.64 121.47 1byp s THR 79 Ca 0.00 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1byp s THR 79 Cb 0.00 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 1byp s THR 79 CO 0.00 0.53 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.92 1byp s TYR 80 N -0.21 2.34 -0.05 4.92 1.51 0.04 -3.80 117.35 122.10 1byp s TYR 80 Ca 0.07 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1byp s TYR 80 Cb -0.12 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1byp s TYR 80 CO 0.02 -0.27 -0.07 0.15 -1.11 0.00 0.00 175.55 174.26 1byp s LYS 81 N 0.05 2.70 0.10 -0.62 1.02 -0.45 -1.32 119.74 121.22 1byp s LYS 81 Ca -0.09 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1byp s LYS 81 Cb -0.15 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1byp s LYS 81 CO 0.05 0.65 0.04 -0.59 -0.92 0.00 0.00 175.35 174.58 1byp s PHE 82 N -0.86 0.72 0.17 3.18 -0.12 -0.29 -1.59 117.98 119.19 1byp s PHE 82 Ca 0.14 -1.15 -0.13 0.00 -0.05 0.00 0.00 56.93 55.74 1byp s PHE 82 Cb -0.11 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 41.86 1byp s PHE 82 CO 0.03 -0.48 0.37 1.52 -0.05 0.00 0.00 175.22 176.61 1byp s TYR 83 N -4.00 0.15 -0.26 3.49 -0.85 0.30 -0.80 117.35 115.38 1byp s TYR 83 Ca 0.18 -0.50 -0.13 0.00 -0.52 0.00 0.00 57.07 56.09 1byp s TYR 83 Cb 0.07 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 1byp s TYR 83 CO -0.02 -0.78 0.29 0.00 -1.52 0.00 0.00 175.55 173.52 1byp h ALA 85 N 8.05 0.21 0.00 0.00 0.00 -1.90 0.51 119.26 126.13 1byp h ALA 85 Ca -0.34 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1byp h ALA 85 Cb 1.17 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1byp h ALA 85 CO 0.62 -0.44 -0.27 -1.00 0.00 0.00 0.00 179.25 178.16 1byp h PRO 86 N 0.04 0.00 -0.27 0.00 0.13 -1.91 -2.91 132.00 127.07 1byp h PRO 86 Ca 0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1byp h PRO 86 Cb 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1byp h PRO 86 CO -0.26 0.27 -0.00 0.72 -0.23 0.00 0.00 178.00 178.50 1byp n HIS 87 N -3.49 0.96 -0.06 1.56 8.25 -0.87 -4.74 115.22 116.83 1byp n HIS 87 Ca -0.00 -0.99 -0.10 0.00 -0.26 0.00 0.00 57.72 56.37 1byp n HIS 87 Cb 0.44 -0.34 0.04 0.00 1.12 0.00 0.00 29.99 31.25 1byp n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1byp h ALA 88 N 1.62 0.72 0.00 -1.41 0.00 -0.71 -1.69 119.26 117.79 1byp h ALA 88 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1byp h ALA 88 Cb 1.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1byp h ALA 88 CO 0.25 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1byp n GLY 89 N 0.06 -1.62 0.45 0.00 0.00 -1.26 -2.64 105.19 100.19 1byp n GLY 89 Ca -0.02 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.12 1byp n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1byp n ALA 90 N -1.74 2.62 0.00 4.61 0.00 -0.68 -4.91 120.51 120.41 1byp n ALA 90 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1byp n ALA 90 Cb 0.39 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1byp n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1byp n GLY 91 N 1.19 0.87 3.54 0.00 0.00 -1.08 -4.92 105.19 104.78 1byp n GLY 91 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1byp n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1byp s MET 92 N -0.74 3.96 0.02 1.61 0.00 -0.97 -4.87 119.30 118.31 1byp s MET 92 Ca 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 55.69 53.62 1byp s MET 92 Cb 0.00 -5.35 -0.02 0.00 0.00 0.00 0.00 34.83 29.47 1byp s MET 92 CO 0.00 -2.08 -0.04 0.08 0.00 0.00 0.00 175.02 172.98 1byp s VAL 93 N 3.43 0.26 0.33 10.11 1.01 -1.26 -1.76 120.40 132.51 1byp s VAL 93 Ca 0.49 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1byp s VAL 93 Cb 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1byp s VAL 93 CO 0.03 -0.28 0.45 -0.83 0.00 0.00 0.00 175.10 174.47 1byp s GLY 94 N -1.03 1.42 -0.06 4.51 0.00 0.02 -4.63 107.32 107.54 1byp s GLY 94 Ca -0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 44.72 43.10 1byp s GLY 94 CO -0.00 -1.00 0.16 1.25 0.00 0.00 0.00 173.10 173.51 1byp s LYS 95 N -3.23 0.18 -0.03 2.90 2.20 -0.17 -1.13 119.74 120.46 1byp s LYS 95 Ca 0.30 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 1byp s LYS 95 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1byp s LYS 95 CO 0.19 -0.02 -0.11 0.54 -0.36 0.00 0.00 175.35 175.59 1byp s VAL 96 N 0.10 0.92 -0.20 4.02 0.11 -0.43 -2.16 120.40 122.76 1byp s VAL 96 Ca -0.00 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 58.57 1byp s VAL 96 Cb -0.01 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1byp s VAL 96 CO 0.00 0.28 0.01 -0.89 -3.33 0.00 0.00 175.10 171.18 1byp s THR 97 N 0.24 4.12 -0.26 5.04 2.01 -0.38 -0.78 115.64 125.63 1byp s THR 97 Ca -0.05 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 1byp s THR 97 Cb -0.10 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1byp s THR 97 CO 0.01 0.43 0.15 -0.69 -0.69 0.00 0.00 174.62 173.83 1byp s VAL 98 N 0.92 5.05 -1.37 3.82 1.01 -0.02 -1.07 120.40 128.75 1byp s VAL 98 Ca 0.02 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.19 1byp s VAL 98 Cb -0.14 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 32.94 1byp s VAL 98 CO 0.02 0.29 0.85 0.59 0.00 0.00 0.00 175.10 176.85