#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y77 n ASN 2 N 0.00 0.76 -4.67 6.12 3.02 -1.26 -4.91 115.26 114.33 1y77 n ASN 2 Ca 0.00 -0.57 -0.47 0.00 -0.03 0.00 0.00 54.58 53.51 1y77 n ASN 2 Cb 0.00 0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1y77 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y77 n ALA 3 N -1.28 1.02 -0.29 5.41 0.00 -1.26 -4.96 120.51 119.15 1y77 n ALA 3 Ca 0.07 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.46 1y77 n ALA 3 Cb 0.34 -2.54 0.28 0.00 0.00 0.00 0.00 19.45 17.53 1y77 n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y77 n PRO 4 N 6.91 -4.30 -3.09 0.00 -0.04 -1.26 -4.93 135.00 128.29 1y77 n PRO 4 Ca 0.23 -1.27 -0.39 0.00 -0.04 0.00 0.00 63.50 62.03 1y77 n PRO 4 Cb 0.32 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 1y77 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1y77 s ASP 5 N -2.87 6.97 0.29 3.54 1.01 -1.26 -4.95 116.67 119.40 1y77 s ASP 5 Ca 0.65 1.16 -0.03 0.00 0.71 0.00 0.00 52.55 55.04 1y77 s ASP 5 Cb -0.14 -2.40 0.61 0.00 1.01 0.00 0.00 42.92 42.00 1y77 s ASP 5 CO 0.57 -0.07 1.57 0.03 0.21 0.00 0.00 175.17 177.48 1y77 h ARG 6 N 6.55 0.00 0.00 8.23 2.47 -2.04 -1.38 114.38 128.21 1y77 h ARG 6 Ca -0.42 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1y77 h ARG 6 Cb 1.20 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1y77 h ARG 6 CO 0.74 0.00 0.00 1.97 0.56 0.00 0.00 179.97 183.25 1y77 n PHE 7 N -5.56 0.00 -0.17 3.04 1.16 -1.26 -2.72 117.46 111.95 1y77 n PHE 7 Ca 0.20 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.81 1y77 n PHE 7 Cb 0.63 0.00 0.24 0.00 -1.61 0.00 0.00 39.48 38.74 1y77 n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1y77 n GLU 8 N -0.54 3.29 0.02 3.97 1.02 -0.52 -2.90 120.64 124.99 1y77 n GLU 8 Ca 0.00 -1.92 0.11 0.00 -0.02 0.00 0.00 57.16 55.33 1y77 n GLU 8 Cb 0.00 -1.96 -0.07 0.00 -0.02 0.00 0.00 31.44 29.39 1y77 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1y77 n LEU 9 N 0.33 0.49 0.00 -4.62 4.77 -1.10 -4.69 117.00 112.18 1y77 n LEU 9 Ca 0.18 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1y77 n LEU 9 Cb 0.86 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1y77 n LEU 9 CO 0.21 0.04 0.00 2.22 -1.33 0.00 0.00 177.39 178.53 1y77 n PHE 10 N -2.06 0.00 -3.15 -1.77 1.16 -1.23 -4.31 117.46 106.10 1y77 n PHE 10 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.17 1y77 n PHE 10 Cb 0.48 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 1y77 n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1y77 s LEU 11 N -0.08 4.16 0.47 5.98 2.01 -1.14 -4.91 118.68 125.17 1y77 s LEU 11 Ca 0.00 0.36 -0.23 0.00 0.01 0.00 0.00 54.13 54.27 1y77 s LEU 11 Cb 0.00 -2.76 -0.07 0.00 0.01 0.00 0.00 46.19 43.38 1y77 s LEU 11 CO 0.00 -0.46 1.25 -0.76 1.01 0.00 0.00 176.35 177.39 1y77 s LEU 12 N 2.54 4.01 0.00 1.79 1.02 -1.26 -4.79 118.68 121.99 1y77 s LEU 12 Ca 0.24 2.51 0.02 0.00 0.02 0.00 0.00 54.13 56.91 1y77 s LEU 12 Cb -0.15 -4.17 0.03 0.00 0.02 0.00 0.00 46.19 41.91 1y77 s LEU 12 CO 0.12 -1.08 0.22 0.61 0.02 0.00 0.00 176.35 176.23 1y77 n GLY 13 N 0.58 1.52 3.71 -3.19 0.00 -1.26 -5.00 105.19 101.54 1y77 n GLY 13 Ca 0.07 -2.09 -0.56 0.00 0.00 0.00 0.00 46.02 43.44 1y77 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 14 N -1.36 1.29 -3.10 1.61 1.02 -1.26 -3.69 120.64 115.16 1y77 n GLU 14 Ca 0.04 0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 57.53 1y77 n GLU 14 Cb 0.15 -2.18 0.01 0.00 -0.02 0.00 0.00 31.44 29.40 1y77 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y77 n GLY 15 N 4.21 -1.05 3.42 0.62 0.00 -1.26 -5.07 105.19 106.07 1y77 n GLY 15 Ca 0.26 0.99 -0.15 0.00 0.00 0.00 0.00 46.02 47.12 1y77 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y77 s GLU 16 N -2.89 1.06 0.10 1.61 2.02 -1.24 -5.18 118.70 114.17 1y77 s GLU 16 Ca 0.19 -0.13 0.08 0.00 0.02 0.00 0.00 54.97 55.12 1y77 s GLU 16 Cb -0.04 0.49 -0.03 0.00 0.10 0.00 0.00 34.13 34.64 1y77 s GLU 16 CO 0.79 -0.38 -0.20 -1.12 0.02 0.00 0.00 175.26 174.38 1y77 s SER 17 N -1.84 2.44 0.32 -0.19 0.01 -1.26 -4.91 113.70 108.27 1y77 s SER 17 Ca -0.06 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.60 1y77 s SER 17 Cb -0.01 -0.13 0.80 0.00 0.21 0.00 0.00 66.02 66.89 1y77 s SER 17 CO 0.00 0.05 1.78 0.11 0.41 0.00 0.00 173.24 175.59 1y77 h LYS 18 N 4.13 0.68 -6.43 12.44 1.79 -1.91 -3.39 116.57 123.87 1y77 h LYS 18 Ca -0.45 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.35 1y77 h LYS 18 Cb 1.18 -0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 31.53 1y77 h LYS 18 CO 0.40 0.45 -0.74 -0.51 -1.08 0.00 0.00 179.45 177.97 1y77 s LEU 19 N -10.16 2.87 -0.20 2.94 1.43 -1.26 -0.06 118.68 114.24 1y77 s LEU 19 Ca -0.11 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1y77 s LEU 19 Cb 0.25 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 45.02 1y77 s LEU 19 CO 0.80 0.09 0.41 -0.75 0.23 0.00 0.00 176.35 177.13 1y77 s LYS 20 N -2.93 0.32 -0.25 1.70 2.20 -1.07 -4.97 119.74 114.73 1y77 s LYS 20 Ca 0.25 1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 56.84 1y77 s LYS 20 Cb -0.08 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1y77 s LYS 20 CO 0.15 -0.27 -0.05 0.42 -0.36 0.00 0.00 175.35 175.23 1y77 s ILE 21 N 2.60 2.95 -0.11 5.43 1.01 -1.26 -0.40 121.20 131.43 1y77 s ILE 21 Ca -0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 1y77 s ILE 21 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1y77 s ILE 21 CO -0.13 0.18 -0.11 -1.81 0.00 0.00 0.00 174.94 173.08 1y77 s ASP 22 N 1.34 4.23 -0.34 3.58 1.01 -0.83 -4.99 116.67 120.66 1y77 s ASP 22 Ca 0.00 -0.24 -0.29 0.00 0.71 0.00 0.00 52.55 52.74 1y77 s ASP 22 Cb -0.17 -1.47 0.01 0.00 1.01 0.00 0.00 42.92 42.31 1y77 s ASP 22 CO -0.04 0.22 1.16 -2.16 0.21 0.00 0.00 175.17 174.56 1y77 s PRO 23 N 0.05 3.95 0.18 8.23 0.04 -1.26 -1.45 135.00 144.73 1y77 s PRO 23 Ca -0.04 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 1y77 s PRO 23 Cb -0.14 -3.82 -0.10 0.00 0.04 0.00 0.00 34.50 30.48 1y77 s PRO 23 CO 0.04 -1.07 1.57 0.34 0.04 0.00 0.00 177.00 177.92 1y77 s ASP 24 N 2.19 6.57 -0.06 6.66 -1.08 -1.17 -4.91 116.67 124.87 1y77 s ASP 24 Ca 0.49 2.65 0.21 0.00 -0.52 0.00 0.00 52.55 55.39 1y77 s ASP 24 Cb -0.13 -2.60 -0.30 0.00 -1.46 0.00 0.00 42.92 38.44 1y77 s ASP 24 CO 0.21 -0.83 0.42 0.35 0.52 0.00 0.00 175.17 175.84 1y77 n THR 25 N 3.77 0.39 -0.35 1.71 -2.24 -1.26 -4.39 114.28 111.90 1y77 n THR 25 Ca 0.13 -0.59 0.25 0.00 -2.27 0.00 0.00 64.05 61.57 1y77 n THR 25 Cb 0.38 -0.15 0.50 0.00 -2.10 0.00 0.00 70.33 68.97 1y77 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1y77 h LYS 26 N 0.00 0.33 -4.16 -0.78 1.79 -1.99 -3.42 116.57 108.34 1y77 h LYS 26 Ca -0.13 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1y77 h LYS 26 Cb 1.31 -0.07 -0.14 0.00 -1.58 0.00 0.00 32.23 31.74 1y77 h LYS 26 CO 0.01 0.22 -0.54 0.00 -1.08 0.00 0.00 179.45 178.06 1y77 s ALA 27 N -5.57 0.41 0.38 3.86 0.00 -1.26 -5.16 121.76 114.42 1y77 s ALA 27 Ca -0.09 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.53 1y77 s ALA 27 Cb 0.28 0.65 -0.10 0.00 0.00 0.00 0.00 23.12 23.95 1y77 s ALA 27 CO 0.80 -0.50 0.89 -1.25 0.00 0.00 0.00 175.76 175.70 1y77 s PRO 28 N -3.97 4.22 -0.28 0.00 0.04 -1.26 -4.52 135.00 129.23 1y77 s PRO 28 Ca 0.15 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 1y77 s PRO 28 Cb 0.06 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1y77 s PRO 28 CO -0.04 0.07 0.33 -1.71 0.04 0.00 0.00 177.00 175.70 1y77 n ASN 29 N -0.37 -6.63 -3.57 6.66 2.85 -1.26 -4.91 115.26 108.02 1y77 n ASN 29 Ca 0.05 0.38 -0.07 0.00 -0.11 0.00 0.00 54.58 54.84 1y77 n ASN 29 Cb 0.53 -2.79 -0.03 0.00 1.24 0.00 0.00 39.78 38.73 1y77 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y77 s ALA 30 N -1.52 -1.98 0.14 5.20 0.00 -1.26 -3.69 121.76 118.65 1y77 s ALA 30 Ca 0.18 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.58 1y77 s ALA 30 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1y77 s ALA 30 CO 0.56 -0.53 0.09 0.08 0.00 0.00 0.00 175.76 175.96 1y77 s VAL 31 N -2.22 0.09 -0.33 0.00 1.01 0.10 -3.02 120.40 116.03 1y77 s VAL 31 Ca 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1y77 s VAL 31 Cb -0.01 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.41 1y77 s VAL 31 CO -0.05 -0.40 0.10 -0.69 0.00 0.00 0.00 175.10 174.06 1y77 s VAL 32 N -4.05 1.20 -0.27 2.92 1.01 -0.53 -1.45 120.40 119.24 1y77 s VAL 32 Ca 0.25 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.39 1y77 s VAL 32 Cb 0.07 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1y77 s VAL 32 CO 0.02 -0.68 0.34 -0.63 0.00 0.00 0.00 175.10 174.16 1y77 s ILE 33 N 1.36 5.20 -0.34 2.22 1.01 0.19 -1.96 121.20 128.88 1y77 s ILE 33 Ca 0.11 0.51 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 1y77 s ILE 33 Cb -0.18 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1y77 s ILE 33 CO -0.20 0.18 0.45 -0.89 0.00 0.00 0.00 174.94 174.48 1y77 s THR 34 N 1.97 5.09 -0.25 2.92 2.01 0.47 -0.86 115.64 126.98 1y77 s THR 34 Ca 0.14 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 1y77 s THR 34 Cb -0.16 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1y77 s THR 34 CO 0.10 -0.12 0.47 -0.36 -0.69 0.00 0.00 174.62 174.01 1y77 s PHE 35 N 2.22 3.29 0.22 4.92 0.40 0.11 -2.60 117.98 126.54 1y77 s PHE 35 Ca 0.16 0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 57.02 1y77 s PHE 35 Cb -0.16 -2.65 -0.06 0.00 0.51 0.00 0.00 43.02 40.66 1y77 s PHE 35 CO 0.12 -0.22 0.49 -1.21 0.70 0.00 0.00 175.22 175.11 1y77 s GLU 36 N 2.06 3.69 -1.34 0.44 0.41 0.91 -1.43 118.70 123.43 1y77 s GLU 36 Ca 0.20 0.06 -0.22 0.00 -0.41 0.00 0.00 54.97 54.60 1y77 s GLU 36 Cb -0.16 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.51 1y77 s GLU 36 CO 0.09 0.34 0.44 1.63 -0.49 0.00 0.00 175.26 177.27 1y77 n LYS 37 N -0.31 -0.57 -3.65 1.61 4.76 -0.95 -4.81 118.16 114.24 1y77 n LYS 37 Ca -0.01 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1y77 n LYS 37 Cb 0.53 -2.96 -0.03 0.00 -1.84 0.00 0.00 35.03 30.73 1y77 n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1y77 n GLU 38 N -4.88 0.61 -0.72 1.97 -0.58 -1.24 -4.58 120.64 111.21 1y77 n GLU 38 Ca -0.19 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.13 1y77 n GLU 38 Cb 0.61 2.33 0.00 0.00 -0.57 0.00 0.00 31.44 33.81 1y77 n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1y77 n ASP 39 N -1.70 0.00 -0.40 1.62 5.75 -1.26 -1.14 116.55 119.43 1y77 n ASP 39 Ca 0.01 -0.52 -0.05 0.00 -0.01 0.00 0.00 54.79 54.21 1y77 n ASP 39 Cb 0.51 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1y77 n ASP 39 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1y77 n HIS 40 N 0.00 -0.16 -0.18 2.11 8.25 -1.26 -0.58 115.22 123.40 1y77 n HIS 40 Ca 0.00 1.24 -0.05 0.00 -0.26 0.00 0.00 57.72 58.65 1y77 n HIS 40 Cb 0.00 -0.75 -0.04 0.00 1.12 0.00 0.00 29.99 30.31 1y77 n HIS 40 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1y77 n THR 41 N -5.38 -0.30 0.05 1.59 -1.04 -1.26 -0.29 114.28 107.66 1y77 n THR 41 Ca 0.07 1.15 0.00 0.00 -2.04 0.00 0.00 64.05 63.23 1y77 n THR 41 Cb 0.34 -1.43 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 1y77 n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1y77 h LEU 42 N 0.00 0.00 0.09 -4.42 5.85 -1.84 -3.36 115.31 111.63 1y77 h LEU 42 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1y77 h LEU 42 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1y77 h LEU 42 CO -0.41 0.57 -0.04 1.23 -0.34 0.00 0.00 178.44 179.45 1y77 h GLY 43 N 3.65 -0.12 -0.60 3.75 0.00 0.19 -2.51 103.07 107.43 1y77 h GLY 43 Ca -0.13 0.05 0.25 0.00 0.00 0.00 0.00 47.33 47.50 1y77 h GLY 43 CO 0.05 -0.04 0.20 -0.57 0.00 0.00 0.00 176.54 176.17 1y77 h ASN 44 N -0.16 -0.11 0.55 0.19 -1.24 -1.34 -1.34 115.58 112.14 1y77 h ASN 44 Ca -0.01 0.22 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1y77 h ASN 44 Cb 0.09 0.32 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 1y77 h ASN 44 CO 0.02 -0.22 -0.30 0.25 -1.29 0.00 0.00 177.43 175.88 1y77 h LEU 45 N 0.14 -0.74 -0.10 0.34 5.85 -1.70 0.54 115.31 119.64 1y77 h LEU 45 Ca 0.58 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.33 1y77 h LEU 45 Cb 1.20 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1y77 h LEU 45 CO -0.72 -0.49 0.00 -0.38 -0.34 0.00 0.00 178.44 176.50 1y77 n ILE 46 N -5.45 1.35 -0.02 4.05 5.41 -0.83 -2.20 119.36 121.67 1y77 n ILE 46 Ca -0.12 0.36 -0.21 0.00 1.00 0.00 0.00 62.75 63.78 1y77 n ILE 46 Cb 0.34 -1.22 -0.13 0.00 -0.71 0.00 0.00 39.64 37.92 1y77 n ILE 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1y77 h ARG 47 N 0.00 0.17 0.88 0.38 1.12 -0.32 -3.05 114.38 113.56 1y77 h ARG 47 Ca 0.00 -0.30 -0.04 0.00 -1.11 0.00 0.00 59.98 58.53 1y77 h ARG 47 Cb 0.16 0.11 0.01 0.00 -0.01 0.00 0.00 29.97 30.24 1y77 h ARG 47 CO 0.00 1.14 -0.42 0.00 -3.11 0.00 0.00 179.97 177.58 1y77 h ALA 48 N -0.12 -1.18 -0.94 2.80 0.00 -0.44 -2.42 119.26 116.96 1y77 h ALA 48 Ca -0.28 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 54.55 1y77 h ALA 48 Cb 1.60 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 19.74 1y77 h ALA 48 CO 0.00 -1.12 0.53 0.93 0.00 0.00 0.00 179.25 179.59 1y77 h GLU 49 N -1.27 0.65 0.00 0.00 4.39 -1.66 0.73 114.58 117.41 1y77 h GLU 49 Ca -0.12 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1y77 h GLU 49 Cb 0.91 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1y77 h GLU 49 CO 0.20 0.43 0.00 1.25 -1.16 0.00 0.00 179.01 179.73 1y77 h LEU 50 N 0.67 0.00 -0.79 1.33 6.46 -1.41 -1.79 115.31 119.78 1y77 h LEU 50 Ca 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.30 1y77 h LEU 50 Cb 0.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1y77 h LEU 50 CO -0.40 0.00 -0.10 -0.11 -0.62 0.00 0.00 178.44 177.21 1y77 n LEU 51 N -2.43 1.32 -0.06 2.25 7.94 0.25 -4.08 117.00 122.19 1y77 n LEU 51 Ca -0.00 -0.41 -0.22 0.00 -1.11 0.00 0.00 56.01 54.27 1y77 n LEU 51 Cb 0.13 -0.05 -0.13 0.00 0.53 0.00 0.00 43.42 43.91 1y77 n LEU 51 CO 0.16 0.23 -0.57 0.78 -1.11 0.00 0.00 177.39 176.88 1y77 h ASN 52 N 1.92 0.18 -0.10 1.96 2.35 -1.33 -3.45 115.58 117.11 1y77 h ASN 52 Ca 0.00 -0.70 -0.40 0.00 -0.55 0.00 0.00 56.30 54.65 1y77 h ASN 52 Cb 0.51 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.73 1y77 h ASN 52 CO 0.00 1.61 1.78 -0.67 -1.65 0.00 0.00 177.43 178.50 1y77 n ASP 53 N -4.09 -0.36 0.08 5.81 -0.08 -1.25 -4.64 116.55 112.03 1y77 n ASP 53 Ca -0.31 -0.30 0.02 0.00 -1.51 0.00 0.00 54.79 52.69 1y77 n ASP 53 Cb 0.82 -0.81 0.11 0.00 2.34 0.00 0.00 41.12 43.57 1y77 n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1y77 n ARG 54 N 7.12 0.03 0.00 -0.67 1.74 -1.26 0.18 116.66 123.80 1y77 n ARG 54 Ca 0.64 0.35 0.14 0.00 -0.77 0.00 0.00 57.85 58.21 1y77 n ARG 54 Cb 0.13 -2.00 0.52 0.00 -1.02 0.00 0.00 32.46 30.09 1y77 n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1y77 n LYS 55 N -1.56 0.61 -3.09 5.56 4.76 -1.26 -4.74 118.16 118.45 1y77 n LYS 55 Ca -0.00 -0.26 -0.44 0.00 -2.87 0.00 0.00 58.31 54.74 1y77 n LYS 55 Cb 0.42 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.06 1y77 n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1y77 s VAL 56 N -2.56 4.76 0.04 -0.18 1.01 0.49 -2.02 120.40 121.93 1y77 s VAL 56 Ca 0.25 -0.54 0.19 0.00 0.00 0.00 0.00 61.98 61.88 1y77 s VAL 56 Cb 0.20 -4.41 0.15 0.00 0.00 0.00 0.00 36.38 32.31 1y77 s VAL 56 CO 0.51 -0.98 1.67 -0.07 0.00 0.00 0.00 175.10 176.22 1y77 h LEU 57 N 10.06 0.00 -7.23 3.92 3.38 -0.31 -3.46 115.31 121.66 1y77 h LEU 57 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1y77 h LEU 57 Cb 1.09 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 1y77 h LEU 57 CO 1.03 0.36 -0.10 0.12 0.09 0.00 0.00 178.44 179.95 1y77 s PHE 58 N -3.40 -0.51 -0.30 1.13 5.36 -0.78 -4.95 117.98 114.52 1y77 s PHE 58 Ca 0.02 1.16 -0.13 0.00 -0.96 0.00 0.00 56.93 57.02 1y77 s PHE 58 Cb 0.09 0.21 0.17 0.00 -0.34 0.00 0.00 43.02 43.15 1y77 s PHE 58 CO 0.69 -0.34 0.95 0.00 -1.46 0.00 0.00 175.22 175.06 1y77 s ALA 59 N -0.20 -2.83 0.13 11.12 0.00 -1.25 -0.42 121.76 128.32 1y77 s ALA 59 Ca -0.04 1.88 -0.10 0.00 0.00 0.00 0.00 51.96 53.70 1y77 s ALA 59 Cb -0.03 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1y77 s ALA 59 CO 0.03 -1.13 0.28 0.00 0.00 0.00 0.00 175.76 174.94 1y77 s ALA 60 N 2.64 -0.28 0.23 0.00 0.00 -1.01 -4.97 121.76 118.36 1y77 s ALA 60 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1y77 s ALA 60 Cb -0.08 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1y77 s ALA 60 CO -0.16 -0.61 0.22 1.52 0.00 0.00 0.00 175.76 176.73 1y77 s TYR 61 N -3.90 1.07 -0.24 0.00 -0.00 -1.26 -0.48 117.35 112.55 1y77 s TYR 61 Ca 0.10 -1.29 -0.27 0.00 -0.00 0.00 0.00 57.07 55.61 1y77 s TYR 61 Cb 0.03 -0.43 0.12 0.00 -0.00 0.00 0.00 41.96 41.69 1y77 s TYR 61 CO -0.06 -0.74 1.00 -1.59 -0.00 0.00 0.00 175.55 174.16 1y77 s LYS 62 N -4.03 0.56 -0.24 -3.49 -2.85 -0.22 -4.99 119.74 104.47 1y77 s LYS 62 Ca 0.36 0.45 -0.20 0.00 -1.00 0.00 0.00 55.97 55.58 1y77 s LYS 62 Cb 0.05 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1y77 s LYS 62 CO 0.13 -0.11 0.63 0.14 0.10 0.00 0.00 175.35 176.25 1y77 s VAL 63 N -0.23 4.99 0.37 1.79 -7.23 -1.26 -1.87 120.40 116.95 1y77 s VAL 63 Ca 0.01 1.15 0.09 0.00 -1.81 0.00 0.00 61.98 61.42 1y77 s VAL 63 Cb -0.03 -3.94 0.14 0.00 0.56 0.00 0.00 36.38 33.11 1y77 s VAL 63 CO -0.03 0.04 1.88 -0.33 -0.31 0.00 0.00 175.10 176.35 1y77 h GLU 64 N 7.82 0.23 -1.53 4.82 4.39 -1.90 -3.44 114.58 124.97 1y77 h GLU 64 Ca -0.27 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.48 1y77 h GLU 64 Cb 1.13 -0.03 -0.27 0.00 -0.10 0.00 0.00 28.75 29.48 1y77 h GLU 64 CO 0.77 0.41 0.37 -1.58 -1.16 0.00 0.00 179.01 177.82 1y77 s HIS 65 N -4.62 -0.59 0.36 4.33 5.04 -1.26 -5.05 115.29 113.49 1y77 s HIS 65 Ca -0.05 1.17 0.17 0.00 -1.54 0.00 0.00 55.06 54.80 1y77 s HIS 65 Cb 0.15 0.35 1.12 0.00 0.04 0.00 0.00 32.58 34.24 1y77 s HIS 65 CO 0.74 -0.29 1.67 -1.00 -2.34 0.00 0.00 174.74 173.52 1y77 h PRO 66 N 6.13 0.30 -0.97 2.88 0.13 -1.98 -1.74 132.00 136.75 1y77 h PRO 66 Ca -0.28 -0.02 0.23 0.00 -0.87 0.00 0.00 66.00 65.06 1y77 h PRO 66 Cb 1.19 -0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1y77 h PRO 66 CO 0.19 0.20 0.63 0.74 -0.23 0.00 0.00 178.00 179.54 1y77 h PHE 67 N 0.31 0.62 -3.49 1.56 0.05 -2.00 -3.41 116.94 110.58 1y77 h PHE 67 Ca 0.73 0.02 -0.66 0.00 3.82 0.00 0.00 57.97 61.88 1y77 h PHE 67 Cb 1.75 -0.19 -0.21 0.00 2.00 0.00 0.00 35.95 39.30 1y77 h PHE 67 CO -0.01 0.12 -0.70 -0.06 -0.18 0.00 0.00 178.31 177.49 1y77 s PHE 68 N -5.48 2.94 -0.51 -0.55 2.99 -0.66 -5.07 117.98 111.64 1y77 s PHE 68 Ca -0.09 -0.21 -0.27 0.00 0.00 0.00 0.00 56.93 56.37 1y77 s PHE 68 Cb 0.24 -1.82 0.03 0.00 0.00 0.00 0.00 43.02 41.47 1y77 s PHE 68 CO 0.79 0.11 1.06 0.00 -0.00 0.00 0.00 175.22 177.18 1y77 s ALA 69 N -0.20 3.14 0.00 5.36 0.00 -1.26 -4.74 121.76 124.06 1y77 s ALA 69 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1y77 s ALA 69 Cb -0.13 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1y77 s ALA 69 CO 0.03 -2.33 0.00 2.89 0.00 0.00 0.00 175.76 176.35 1y77 n ARG 70 N 7.74 0.00 -3.47 0.00 1.85 -0.29 -2.25 116.66 120.25 1y77 n ARG 70 Ca 0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.83 1y77 n ARG 70 Cb 0.49 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.88 1y77 n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1y77 s PHE 71 N -2.00 -0.43 -0.09 2.89 -0.12 -0.51 -4.33 117.98 113.38 1y77 s PHE 71 Ca 0.00 0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 57.14 1y77 s PHE 71 Cb 0.00 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1y77 s PHE 71 CO 0.00 -0.68 -0.05 0.15 -0.05 0.00 0.00 175.22 174.59 1y77 s LYS 72 N -3.38 2.98 -0.11 1.99 1.02 -0.78 0.09 119.74 121.54 1y77 s LYS 72 Ca 0.03 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1y77 s LYS 72 Cb -0.01 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1y77 s LYS 72 CO -0.11 0.59 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.59 1y77 s LEU 73 N -0.61 1.77 -0.21 3.17 2.96 -0.04 -1.05 118.68 124.67 1y77 s LEU 73 Ca 0.09 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1y77 s LEU 73 Cb -0.12 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 1y77 s LEU 73 CO 0.02 0.03 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.47 1y77 s ARG 74 N 0.94 3.58 -0.04 1.98 3.52 0.37 -0.64 118.95 128.67 1y77 s ARG 74 Ca -0.07 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1y77 s ARG 74 Cb -0.15 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1y77 s ARG 74 CO -0.01 -0.03 -0.20 0.42 -0.81 0.00 0.00 175.30 174.67 1y77 s ILE 75 N 1.10 1.63 -0.03 4.11 1.01 -0.53 -2.41 121.20 126.07 1y77 s ILE 75 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1y77 s ILE 75 Cb -0.14 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1y77 s ILE 75 CO 0.01 0.46 -0.11 -1.58 0.00 0.00 0.00 174.94 173.72 1y77 s GLN 76 N -0.07 1.21 0.27 2.79 0.74 0.44 0.03 119.66 125.07 1y77 s GLN 76 Ca -0.03 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.02 1y77 s GLN 76 Cb -0.12 -1.09 -0.04 0.00 1.10 0.00 0.00 33.01 32.86 1y77 s GLN 76 CO 0.02 0.14 0.15 0.95 -0.55 0.00 0.00 175.29 176.01 1y77 s THR 77 N 0.17 0.26 0.22 -0.34 -4.23 -1.24 0.43 115.64 110.92 1y77 s THR 77 Ca -0.04 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1y77 s THR 77 Cb -0.10 -2.53 -0.09 0.00 1.34 0.00 0.00 72.50 71.12 1y77 s THR 77 CO 0.01 0.00 1.34 -0.89 -0.54 0.00 0.00 174.62 174.54 1y77 s THR 78 N -3.75 3.04 0.54 3.99 2.01 -0.85 -4.81 115.64 115.80 1y77 s THR 78 Ca 0.37 0.88 -0.18 0.00 0.31 0.00 0.00 61.69 63.07 1y77 s THR 78 Cb 0.06 -3.56 -0.13 0.00 0.01 0.00 0.00 72.50 68.88 1y77 s THR 78 CO 0.16 0.14 0.08 1.21 -0.69 0.00 0.00 174.62 175.52 1y77 n GLU 79 N 2.40 0.16 -0.97 4.92 2.13 -1.26 -2.08 120.64 125.94 1y77 n GLU 79 Ca 0.06 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1y77 n GLU 79 Cb 0.42 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.90 1y77 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y77 n GLY 80 N 2.28 0.68 2.69 8.31 0.00 -1.26 -4.97 105.19 112.92 1y77 n GLY 80 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1y77 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1y77 s TYR 81 N -2.83 1.23 0.24 1.61 6.04 -0.89 -5.12 117.35 117.63 1y77 s TYR 81 Ca 0.00 -1.35 -0.30 0.00 0.04 0.00 0.00 57.07 55.45 1y77 s TYR 81 Cb 0.00 -1.38 -0.10 0.00 -1.04 0.00 0.00 41.96 39.44 1y77 s TYR 81 CO 0.00 -0.81 1.51 0.34 -1.54 0.00 0.00 175.55 175.04 1y77 s ASP 82 N 1.78 6.58 0.27 4.32 -1.08 -1.26 -4.59 116.67 122.70 1y77 s ASP 82 Ca 0.07 2.71 0.00 0.00 -0.52 0.00 0.00 52.55 54.82 1y77 s ASP 82 Cb -0.17 -2.62 0.39 0.00 -1.46 0.00 0.00 42.92 39.06 1y77 s ASP 82 CO -0.25 -0.78 1.76 1.55 0.52 0.00 0.00 175.17 177.97 1y77 h PRO 83 N 5.48 0.65 -0.72 4.34 0.13 -1.95 -2.66 132.00 137.28 1y77 h PRO 83 Ca -0.45 -0.20 0.16 0.00 -0.87 0.00 0.00 66.00 64.64 1y77 h PRO 83 Cb 1.21 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1y77 h PRO 83 CO 0.82 0.74 0.13 0.87 -0.23 0.00 0.00 178.00 180.33 1y77 h LYS 84 N 0.60 0.22 -0.49 0.86 1.57 -1.97 0.72 116.57 118.08 1y77 h LYS 84 Ca 0.11 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1y77 h LYS 84 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1y77 h LYS 84 CO 0.03 0.14 0.32 -0.44 -0.57 0.00 0.00 179.45 178.94 1y77 h ASP 85 N 0.23 0.56 -0.83 0.86 3.32 -1.87 -2.24 116.42 116.44 1y77 h ASP 85 Ca 0.40 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.56 1y77 h ASP 85 Cb 0.68 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.01 1y77 h ASP 85 CO -0.53 0.40 0.44 0.00 -1.72 0.00 0.00 179.24 177.84 1y77 h ALA 86 N 1.18 1.22 0.19 3.45 0.00 0.44 -0.90 119.26 124.83 1y77 h ALA 86 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1y77 h ALA 86 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1y77 h ALA 86 CO -0.04 -0.03 -0.18 1.25 0.00 0.00 0.00 179.25 180.25 1y77 h LEU 87 N 0.67 -0.47 0.00 0.00 5.85 -0.18 -2.61 115.31 118.57 1y77 h LEU 87 Ca 0.43 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1y77 h LEU 87 Cb 0.54 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1y77 h LEU 87 CO -0.32 -0.27 0.00 0.29 -0.34 0.00 0.00 178.44 177.80 1y77 n LYS 88 N -5.30 0.00 -0.20 1.25 5.02 -0.36 -2.20 118.16 116.36 1y77 n LYS 88 Ca -0.08 0.61 -0.05 0.00 -2.02 0.00 0.00 58.31 56.77 1y77 n LYS 88 Cb 0.22 -1.10 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 1y77 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y77 n ASN 89 N -1.48 -0.50 -0.18 4.39 3.02 -1.08 0.70 115.26 120.12 1y77 n ASN 89 Ca 0.00 1.25 0.27 0.00 -0.03 0.00 0.00 54.58 56.07 1y77 n ASN 89 Cb 0.00 -0.31 0.48 0.00 -0.61 0.00 0.00 39.78 39.34 1y77 n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y77 h ALA 90 N -0.16 2.88 0.01 5.41 0.00 -1.13 1.02 119.26 127.29 1y77 h ALA 90 Ca 0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1y77 h ALA 90 Cb 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1y77 h ALA 90 CO -0.45 -1.63 -0.98 0.00 0.00 0.00 0.00 179.25 176.19 1y77 h ASN 92 N -0.96 -0.56 -0.68 0.00 2.35 0.16 0.46 115.58 116.33 1y77 h ASN 92 Ca -0.27 0.16 0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1y77 h ASN 92 Cb 1.26 0.34 -0.10 0.00 0.05 0.00 0.00 38.32 39.87 1y77 h ASN 92 CO -0.15 -0.19 0.18 -1.28 -1.65 0.00 0.00 177.43 174.33 1y77 h SER 93 N -0.05 0.05 -0.59 5.81 0.87 0.39 0.26 113.55 120.30 1y77 h SER 93 Ca 0.23 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 1y77 h SER 93 Cb 0.40 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1y77 h SER 93 CO -0.52 0.01 0.08 0.40 -0.53 0.00 0.00 176.83 176.26 1y77 h ILE 94 N 0.30 1.26 0.60 2.23 2.04 -0.17 -1.34 117.51 122.42 1y77 h ILE 94 Ca 0.37 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1y77 h ILE 94 Cb 0.59 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1y77 h ILE 94 CO -0.45 0.38 -0.29 0.40 0.00 0.00 0.00 178.15 178.20 1y77 h ILE 95 N 0.96 0.26 -0.35 -0.67 2.04 0.17 -2.57 117.51 117.34 1y77 h ILE 95 Ca 0.19 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1y77 h ILE 95 Cb 0.45 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 36.79 1y77 h ILE 95 CO 0.02 0.03 -0.27 0.78 0.00 0.00 0.00 178.15 178.70 1y77 h ASN 96 N -1.06 -0.91 -0.79 1.72 2.35 -0.55 0.88 115.58 117.22 1y77 h ASN 96 Ca -0.08 0.17 0.18 0.00 -0.55 0.00 0.00 56.30 56.01 1y77 h ASN 96 Cb 0.67 0.44 -0.11 0.00 0.05 0.00 0.00 38.32 39.36 1y77 h ASN 96 CO 0.13 -0.29 0.25 0.11 -1.65 0.00 0.00 177.43 175.99 1y77 h LYS 97 N -0.23 0.32 -0.56 0.81 1.57 -1.28 0.35 116.57 117.55 1y77 h LYS 97 Ca 0.17 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1y77 h LYS 97 Cb 0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1y77 h LYS 97 CO -0.48 0.21 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.49 1y77 h LEU 98 N 0.33 0.99 -1.31 2.94 3.38 -0.13 -2.34 115.31 119.18 1y77 h LEU 98 Ca 0.46 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1y77 h LEU 98 Cb 0.81 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1y77 h LEU 98 CO -0.51 1.07 0.56 1.23 0.09 0.00 0.00 178.44 180.88 1y77 h GLY 99 N 0.98 1.16 0.46 0.83 0.00 0.46 0.13 103.07 107.08 1y77 h GLY 99 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1y77 h GLY 99 CO 0.04 0.11 -0.22 0.00 0.00 0.00 0.00 176.54 176.46 1y77 h ALA 100 N 1.60 -0.70 -1.07 3.60 0.00 -0.88 -3.16 119.26 118.64 1y77 h ALA 100 Ca 0.43 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.49 1y77 h ALA 100 Cb 0.67 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1y77 h ALA 100 CO -0.19 -0.66 0.69 1.25 0.00 0.00 0.00 179.25 180.34 1y77 h LEU 101 N -1.00 0.42 -0.86 0.00 6.46 -0.88 0.73 115.31 120.18 1y77 h LEU 101 Ca -0.06 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1y77 h LEU 101 Cb 0.47 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1y77 h LEU 101 CO 0.10 0.05 0.36 0.50 -0.62 0.00 0.00 178.44 178.84 1y77 h LYS 102 N 0.36 1.19 0.00 1.25 3.64 -0.83 -1.74 116.57 120.44 1y77 h LYS 102 Ca 0.62 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1y77 h LYS 102 Cb 1.63 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1y77 h LYS 102 CO -0.31 0.93 0.00 2.41 -2.27 0.00 0.00 179.45 180.21 1y77 n THR 103 N -4.29 0.00 0.25 1.00 -1.04 0.23 -2.96 114.28 107.47 1y77 n THR 103 Ca 0.08 0.87 0.11 0.00 -2.04 0.00 0.00 64.05 63.07 1y77 n THR 103 Cb 0.16 -1.73 0.47 0.00 -1.82 0.00 0.00 70.33 67.41 1y77 n THR 103 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1y77 h ASN 104 N 0.00 0.00 0.02 8.00 2.35 -0.87 0.17 115.58 125.25 1y77 h ASN 104 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1y77 h ASN 104 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1y77 h ASN 104 CO 0.00 0.00 -0.01 0.15 -1.65 0.00 0.00 177.43 175.92 1y77 h PHE 105 N 0.00 -0.03 -0.95 1.19 3.57 -1.40 -3.24 116.94 116.08 1y77 h PHE 105 Ca 0.07 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.67 1y77 h PHE 105 Cb 1.44 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.11 1y77 h PHE 105 CO 0.00 0.58 0.61 0.93 -2.23 0.00 0.00 178.31 178.20 1y77 h GLU 106 N -0.97 0.95 -0.19 1.11 5.08 -0.63 -1.32 114.58 118.61 1y77 h GLU 106 Ca -0.00 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1y77 h GLU 106 Cb 0.62 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1y77 h GLU 106 CO 0.00 0.63 -0.24 1.15 -1.00 0.00 0.00 179.01 179.55 1y77 h THR 107 N 0.98 0.00 -0.24 1.13 2.02 -1.27 0.67 112.91 116.20 1y77 h THR 107 Ca 0.45 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.70 1y77 h THR 107 Cb 0.40 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1y77 h THR 107 CO -0.21 0.00 0.18 -0.33 0.37 0.00 0.00 175.52 175.53 1y77 h GLU 108 N -0.16 0.00 -0.16 6.66 4.39 -1.41 -2.63 114.58 121.26 1y77 h GLU 108 Ca 0.03 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 1y77 h GLU 108 Cb 0.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1y77 h GLU 108 CO -0.27 0.00 -0.59 2.35 -1.16 0.00 0.00 179.01 179.34 1y77 h TRP 109 N 0.00 0.92 -0.29 4.33 2.91 0.12 -3.12 115.95 120.82 1y77 h TRP 109 Ca 0.12 -0.38 -0.02 0.00 1.13 0.00 0.00 58.89 59.73 1y77 h TRP 109 Cb 0.47 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 1y77 h TRP 109 CO 0.00 1.18 0.07 -0.91 -1.03 0.00 0.00 178.44 177.75 1y77 h ASN 110 N 0.39 0.37 0.00 2.65 2.35 -0.59 -1.22 115.58 119.52 1y77 h ASN 110 Ca -0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1y77 h ASN 110 Cb 1.22 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1y77 h ASN 110 CO 0.13 0.38 0.00 0.18 -1.65 0.00 0.00 177.43 176.46 1y77 n LEU 111 N -4.38 0.20 -4.83 1.61 4.77 -1.14 -4.85 117.00 108.39 1y77 n LEU 111 Ca 0.01 -0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 1y77 n LEU 111 Cb 0.16 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1y77 n LEU 111 CO 0.37 0.05 -0.18 -1.10 -1.33 0.00 0.00 177.39 175.20 1y77 s GLN 112 N -1.76 3.00 -0.17 3.23 -1.52 -0.46 -5.07 119.66 116.90 1y77 s GLN 112 Ca 0.00 -0.89 0.01 0.00 -1.95 0.00 0.00 55.36 52.53 1y77 s GLN 112 Cb 0.00 -2.67 0.02 0.00 -0.22 0.00 0.00 33.01 30.15 1y77 s GLN 112 CO 0.00 0.46 -0.17 0.99 -0.25 0.00 0.00 175.29 176.32 1y77 s THR 113 N -1.88 1.86 0.00 -0.19 2.01 -1.26 -5.08 115.64 111.10 1y77 s THR 113 Ca 0.32 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1y77 s THR 113 Cb -0.09 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1y77 s THR 113 CO 0.25 0.45 0.00 0.18 -0.69 0.00 0.00 174.62 174.81