#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c77 n LYS 10 N 0.00 0.00 -1.21 -0.72 4.81 -1.26 -5.05 118.16 114.73 1c77 n LYS 10 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1c77 n LYS 10 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 1c77 n LYS 10 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1c77 n LYS 11 N 0.00 2.44 0.00 1.64 5.02 -1.26 -5.10 118.16 120.91 1c77 n LYS 11 Ca 0.00 -3.57 0.00 0.00 -2.02 0.00 0.00 58.31 52.72 1c77 n LYS 11 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 1c77 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c77 n GLY 12 N -0.97 -2.50 0.00 0.72 0.00 -1.26 -4.87 105.19 96.32 1c77 n GLY 12 Ca 0.36 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1c77 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c77 n ASP 13 N -0.44 0.00 0.00 1.61 9.92 -1.26 -4.48 116.55 121.89 1c77 n ASP 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1c77 n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1c77 n ASP 13 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1c77 n ASP 14 N 0.00 0.00 -0.69 -2.24 2.03 -1.26 -4.88 116.55 109.51 1c77 n ASP 14 Ca 0.00 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1c77 n ASP 14 Cb 0.00 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1c77 n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c77 n ALA 15 N -0.99 -1.56 -1.30 -1.67 0.00 -1.26 -5.02 120.51 108.71 1c77 n ALA 15 Ca 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 1c77 n ALA 15 Cb 0.22 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1c77 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1c77 n SER 16 N -1.19 -0.17 0.01 0.00 2.88 -1.26 -4.95 113.62 108.94 1c77 n SER 16 Ca 0.00 0.63 0.11 0.00 -1.33 0.00 0.00 58.87 58.28 1c77 n SER 16 Cb 0.05 -1.34 0.13 0.00 -0.75 0.00 0.00 64.21 62.30 1c77 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c77 n TYR 17 N -2.52 0.09 -3.02 0.66 9.36 -1.26 -4.91 117.16 115.57 1c77 n TYR 17 Ca 0.12 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.36 1c77 n TYR 17 Cb 0.50 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 1c77 n TYR 17 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1c77 n PHE 18 N -1.64 -1.74 -2.58 2.98 3.72 -1.26 -5.08 117.46 111.87 1c77 n PHE 18 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 1c77 n PHE 18 Cb 0.36 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.85 1c77 n PHE 18 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1c77 s GLU 19 N -0.97 4.71 0.99 -1.08 2.12 -1.26 -5.00 118.70 118.21 1c77 s GLU 19 Ca 0.00 1.68 -0.11 0.00 0.36 0.00 0.00 54.97 56.89 1c77 s GLU 19 Cb 0.00 -3.21 0.17 0.00 0.26 0.00 0.00 34.13 31.35 1c77 s GLU 19 CO 0.00 0.32 0.98 -2.30 -0.54 0.00 0.00 175.26 173.72 1c77 n PRO 20 N 1.27 -0.97 -0.06 4.30 -0.02 -1.26 -4.93 135.00 133.33 1c77 n PRO 20 Ca -0.01 -0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.26 1c77 n PRO 20 Cb 0.46 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1c77 n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1c77 n THR 21 N -4.37 0.92 -4.28 3.45 -2.24 -1.26 -4.84 114.28 101.67 1c77 n THR 21 Ca 0.09 -0.96 -0.17 0.00 -2.27 0.00 0.00 64.05 60.74 1c77 n THR 21 Cb 0.53 0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 1c77 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1c77 s GLY 22 N -0.95 1.90 0.54 3.38 0.00 -1.26 -4.42 107.32 106.51 1c77 s GLY 22 Ca 0.08 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.76 1c77 s GLY 22 CO 0.05 -1.50 1.27 -1.05 0.00 0.00 0.00 173.10 171.88 1c77 n PRO 23 N -0.48 1.56 -3.69 2.90 -0.02 -1.25 -4.38 135.00 129.64 1c77 n PRO 23 Ca 0.03 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 1c77 n PRO 23 Cb 0.65 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1c77 n PRO 23 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1c77 s TYR 24 N -1.31 -0.15 -0.19 6.00 1.13 -0.53 -1.97 117.35 120.34 1c77 s TYR 24 Ca 0.71 -0.12 -0.07 0.00 -1.41 0.00 0.00 57.07 56.18 1c77 s TYR 24 Cb -0.43 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1c77 s TYR 24 CO 0.50 -0.63 0.05 -1.17 -2.51 0.00 0.00 175.55 171.78 1c77 s LEU 25 N -2.60 3.68 -0.24 -3.49 2.96 0.61 -0.35 118.68 119.26 1c77 s LEU 25 Ca 0.01 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1c77 s LEU 25 Cb 0.02 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1c77 s LEU 25 CO -0.09 0.15 0.14 -0.04 -1.32 0.00 0.00 176.35 175.18 1c77 s MET 26 N 0.53 4.01 -0.23 1.98 -1.94 0.39 -1.59 119.30 122.45 1c77 s MET 26 Ca 0.02 -0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 53.63 1c77 s MET 26 Cb -0.13 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1c77 s MET 26 CO 0.01 0.05 0.06 0.08 -0.01 0.00 0.00 175.02 175.21 1c77 s VAL 27 N 1.06 4.31 -0.42 -6.03 1.01 0.53 -1.49 120.40 119.38 1c77 s VAL 27 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1c77 s VAL 27 Cb -0.14 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.36 1c77 s VAL 27 CO 0.04 0.37 0.18 0.20 0.00 0.00 0.00 175.10 175.89 1c77 s ASN 28 N 1.37 4.99 0.02 3.32 0.01 0.12 -1.91 114.94 122.86 1c77 s ASN 28 Ca 0.05 -2.26 0.09 0.00 -0.71 0.00 0.00 52.86 50.02 1c77 s ASN 28 Cb -0.15 -1.74 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1c77 s ASN 28 CO 0.03 -0.44 -0.26 0.68 -1.51 0.00 0.00 177.10 175.61 1c77 s VAL 29 N 0.78 2.16 -0.19 1.60 -7.23 -0.08 -1.88 120.40 115.57 1c77 s VAL 29 Ca 0.11 -1.26 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1c77 s VAL 29 Cb -0.21 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 1c77 s VAL 29 CO -0.05 0.45 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.19 1c77 s THR 30 N -0.74 2.94 -0.22 5.32 2.01 -0.40 -1.52 115.64 123.03 1c77 s THR 30 Ca 0.11 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.36 1c77 s THR 30 Cb -0.10 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1c77 s THR 30 CO 0.01 0.48 0.14 -0.83 -0.69 0.00 0.00 174.62 173.72 1c77 s GLY 31 N 1.20 1.99 0.38 4.40 0.00 -0.68 -1.01 107.32 113.59 1c77 s GLY 31 Ca 0.02 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 43.98 1c77 s GLY 31 CO -0.04 0.28 0.03 -1.34 0.00 0.00 0.00 173.10 172.03 1c77 s VAL 32 N 0.78 1.68 0.44 1.40 -7.23 0.01 -0.34 120.40 117.13 1c77 s VAL 32 Ca 0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1c77 s VAL 32 Cb -0.13 -2.91 0.08 0.00 0.56 0.00 0.00 36.38 33.99 1c77 s VAL 32 CO 0.02 0.00 0.60 -0.90 -0.31 0.00 0.00 175.10 174.51 1c77 n ASP 33 N -0.87 1.13 0.00 4.85 5.68 -0.70 -1.60 116.55 125.04 1c77 n ASP 33 Ca -0.04 -1.88 0.03 0.00 -0.50 0.00 0.00 54.79 52.40 1c77 n ASP 33 Cb 0.67 -0.36 0.16 0.00 -1.14 0.00 0.00 41.12 40.45 1c77 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c77 n GLY 34 N 0.11 -0.17 0.02 6.12 0.00 -1.26 -1.08 105.19 108.92 1c77 n GLY 34 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1c77 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c77 n LYS 35 N -0.99 2.59 -1.16 1.61 5.02 -1.26 -4.98 118.16 118.98 1c77 n LYS 35 Ca 0.04 -1.75 -0.05 0.00 -2.02 0.00 0.00 58.31 54.53 1c77 n LYS 35 Cb 0.02 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1c77 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c77 n GLY 36 N -0.72 0.71 3.77 0.72 0.00 -0.24 -4.97 105.19 104.46 1c77 n GLY 36 Ca 0.04 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1c77 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c77 s ASN 37 N -2.41 6.93 -0.03 1.61 0.01 -1.26 -4.80 114.94 115.00 1c77 s ASN 37 Ca 0.00 2.19 -0.22 0.00 -0.71 0.00 0.00 52.86 54.12 1c77 s ASN 37 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1c77 s ASN 37 CO 0.00 -0.37 0.65 -0.70 -1.51 0.00 0.00 177.10 175.17 1c77 s GLU 38 N -2.02 4.39 -0.17 -0.60 2.12 -1.26 -1.72 118.70 119.45 1c77 s GLU 38 Ca 0.52 0.82 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 1c77 s GLU 38 Cb -0.28 -3.39 -0.10 0.00 0.26 0.00 0.00 34.13 30.62 1c77 s GLU 38 CO 0.35 0.22 -0.17 1.28 -0.54 0.00 0.00 175.26 176.41 1c77 n LEU 39 N 3.21 2.56 -3.91 2.70 4.77 0.53 -4.96 117.00 121.90 1c77 n LEU 39 Ca -0.04 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.65 1c77 n LEU 39 Cb 0.51 -0.57 -0.17 0.00 -2.33 0.00 0.00 43.42 40.86 1c77 n LEU 39 CO 0.45 0.68 -0.44 -0.22 -1.33 0.00 0.00 177.39 176.54 1c77 s LEU 40 N -6.22 1.36 0.76 2.23 2.96 -1.00 -4.99 118.68 113.78 1c77 s LEU 40 Ca -0.23 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.13 1c77 s LEU 40 Cb 0.07 -0.88 0.05 0.00 0.50 0.00 0.00 46.19 45.92 1c77 s LEU 40 CO 0.37 -0.14 1.08 -0.94 -1.32 0.00 0.00 176.35 175.40 1c77 s SER 41 N 1.67 4.75 -0.20 3.68 1.04 -1.26 -1.69 113.70 121.68 1c77 s SER 41 Ca 0.03 1.50 -0.20 0.00 0.48 0.00 0.00 55.95 57.76 1c77 s SER 41 Cb -0.13 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 1c77 s SER 41 CO -0.08 -1.83 0.67 -2.65 0.98 0.00 0.00 173.24 170.33 1c77 n PRO 42 N -3.36 0.00 -4.57 4.02 -0.02 -1.25 -4.75 135.00 125.07 1c77 n PRO 42 Ca 0.07 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.31 1c77 n PRO 42 Cb 0.55 -0.64 -0.16 0.00 -0.02 0.00 0.00 33.50 33.22 1c77 n PRO 42 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1c77 s HIS 43 N 1.22 1.38 -0.10 6.00 2.46 -0.58 -4.88 115.29 120.79 1c77 s HIS 43 Ca 0.45 -0.48 -0.01 0.00 0.47 0.00 0.00 55.06 55.49 1c77 s HIS 43 Cb -0.64 -1.01 -0.03 0.00 -0.13 0.00 0.00 32.58 30.78 1c77 s HIS 43 CO 0.34 -0.24 -0.06 -0.47 -2.47 0.00 0.00 174.74 171.85 1c77 s TYR 44 N 0.56 2.96 -0.00 3.88 6.14 -1.25 -0.90 117.35 128.74 1c77 s TYR 44 Ca -0.12 -0.10 -0.15 0.00 0.64 0.00 0.00 57.07 57.35 1c77 s TYR 44 Cb -0.14 -1.79 0.02 0.00 0.42 0.00 0.00 41.96 40.47 1c77 s TYR 44 CO 0.03 0.21 0.31 0.08 0.64 0.00 0.00 175.55 176.82 1c77 s VAL 45 N -0.43 0.06 -0.02 3.14 1.01 -0.80 -4.98 120.40 118.38 1c77 s VAL 45 Ca 0.06 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1c77 s VAL 45 Cb -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1c77 s VAL 45 CO 0.02 -0.28 -0.24 -1.61 0.00 0.00 0.00 175.10 172.99 1c77 s GLU 46 N -1.56 2.15 -0.05 2.72 2.02 -1.26 -0.34 118.70 122.37 1c77 s GLU 46 Ca -0.12 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 53.98 1c77 s GLU 46 Cb -0.04 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.10 1c77 s GLU 46 CO 0.03 0.57 -0.09 -0.06 0.02 0.00 0.00 175.26 175.73 1c77 s PHE 47 N -0.66 1.07 0.43 1.61 0.08 -0.62 -4.98 117.98 114.91 1c77 s PHE 47 Ca 0.11 -0.33 -0.23 0.00 0.12 0.00 0.00 56.93 56.59 1c77 s PHE 47 Cb -0.10 -0.82 -0.08 0.00 -0.57 0.00 0.00 43.02 41.45 1c77 s PHE 47 CO -0.00 -0.20 1.08 -1.25 -0.10 0.00 0.00 175.22 174.75 1c77 s PRO 48 N 0.61 4.01 0.13 0.24 0.04 -1.26 -0.29 135.00 138.49 1c77 s PRO 48 Ca -0.11 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.53 1c77 s PRO 48 Cb -0.13 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1c77 s PRO 48 CO 0.02 -0.29 -0.06 0.96 0.04 0.00 0.00 177.00 177.67 1c77 s ILE 49 N -1.67 0.85 -0.12 0.56 -4.36 -0.83 -4.79 121.20 110.84 1c77 s ILE 49 Ca 0.61 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1c77 s ILE 49 Cb -0.23 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1c77 s ILE 49 CO 0.29 -0.73 -0.11 -0.75 0.24 0.00 0.00 174.94 173.87 1c77 s LYS 50 N -3.83 3.28 0.55 0.37 2.20 -1.26 -4.33 119.74 116.72 1c77 s LYS 50 Ca 0.16 -0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 54.91 1c77 s LYS 50 Cb 0.05 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1c77 s LYS 50 CO -0.01 0.30 1.31 -2.14 -0.36 0.00 0.00 175.35 174.45 1c77 s PRO 51 N 0.14 3.14 0.00 4.03 0.02 -1.26 -2.66 135.00 138.40 1c77 s PRO 51 Ca -0.06 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1c77 s PRO 51 Cb -0.15 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1c77 s PRO 51 CO 0.04 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 1c77 n GLY 52 N 0.69 0.22 3.80 0.52 0.00 -0.66 -4.99 105.19 104.76 1c77 n GLY 52 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1c77 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c77 s THR 53 N -2.00 4.43 -0.34 2.61 2.01 -1.09 -4.75 115.64 116.51 1c77 s THR 53 Ca 0.00 1.50 -0.16 0.00 0.31 0.00 0.00 61.69 63.33 1c77 s THR 53 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1c77 s THR 53 CO 0.00 0.18 0.41 -0.89 -0.69 0.00 0.00 174.62 173.63 1c77 s THR 54 N -1.56 5.12 -0.44 -0.82 2.01 -1.26 -0.53 115.64 118.15 1c77 s THR 54 Ca 0.46 0.16 -0.19 0.00 0.31 0.00 0.00 61.69 62.43 1c77 s THR 54 Cb -0.17 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.50 1c77 s THR 54 CO 0.22 -0.12 0.55 -0.76 -0.69 0.00 0.00 174.62 173.82 1c77 s LEU 55 N 2.14 4.74 0.40 4.42 1.43 0.46 -4.88 118.68 127.39 1c77 s LEU 55 Ca 0.14 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1c77 s LEU 55 Cb -0.16 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1c77 s LEU 55 CO 0.12 -0.71 0.55 0.42 0.23 0.00 0.00 176.35 176.96 1c77 s THR 56 N 2.48 3.40 0.25 5.49 -4.23 -1.26 -2.67 115.64 119.10 1c77 s THR 56 Ca 0.17 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1c77 s THR 56 Cb -0.16 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 70.75 1c77 s THR 56 CO 0.15 -0.06 1.83 0.50 -0.54 0.00 0.00 174.62 176.50 1c77 h LYS 57 N 0.70 0.89 -0.46 3.99 3.64 -1.53 -0.86 116.57 122.94 1c77 h LYS 57 Ca -0.42 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 1c77 h LYS 57 Cb 1.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1c77 h LYS 57 CO 0.48 0.59 -0.11 1.49 -2.27 0.00 0.00 179.45 179.63 1c77 h GLU 58 N 0.91 0.84 -0.52 1.90 4.81 -1.88 -1.83 114.58 118.82 1c77 h GLU 58 Ca 0.41 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1c77 h GLU 58 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1c77 h GLU 58 CO -0.22 0.91 0.14 0.87 -0.73 0.00 0.00 179.01 179.98 1c77 h LYS 59 N 0.76 0.82 -0.45 1.92 1.57 -1.70 -2.70 116.57 116.79 1c77 h LYS 59 Ca 0.13 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1c77 h LYS 59 Cb 0.61 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1c77 h LYS 59 CO 0.04 0.78 0.25 0.82 -0.57 0.00 0.00 179.45 180.77 1c77 h ILE 60 N 0.72 1.01 -0.85 1.86 1.08 -0.99 -0.51 117.51 119.84 1c77 h ILE 60 Ca 0.16 -0.17 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 1c77 h ILE 60 Cb 0.32 0.47 -0.09 0.00 -3.07 0.00 0.00 36.82 34.45 1c77 h ILE 60 CO -0.00 0.09 0.45 -0.33 -0.69 0.00 0.00 178.15 177.67 1c77 h GLU 61 N 0.50 0.65 -0.45 2.37 5.08 -1.23 0.37 114.58 121.88 1c77 h GLU 61 Ca 0.19 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1c77 h GLU 61 Cb 0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1c77 h GLU 61 CO -0.10 0.43 -0.27 1.88 -1.00 0.00 0.00 179.01 179.95 1c77 h TYR 62 N 0.67 1.12 -0.74 4.33 -1.99 -0.95 -2.00 116.97 117.41 1c77 h TYR 62 Ca 0.45 -0.29 -0.06 0.00 2.00 0.00 0.00 58.73 60.83 1c77 h TYR 62 Cb 0.59 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.03 1c77 h TYR 62 CO -0.08 1.11 0.22 1.88 -0.00 0.00 0.00 178.16 181.29 1c77 h TYR 63 N 0.82 1.19 -0.29 4.88 -1.99 0.10 -0.69 116.97 120.99 1c77 h TYR 63 Ca 0.09 -0.12 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 1c77 h TYR 63 Cb 0.85 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1c77 h TYR 63 CO 0.05 0.94 -0.32 -0.39 -0.00 0.00 0.00 178.16 178.44 1c77 h VAL 64 N 1.10 1.28 -0.53 -2.88 -1.51 -0.85 0.11 116.25 112.98 1c77 h VAL 64 Ca 0.24 -1.44 -0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1c77 h VAL 64 Cb 0.31 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 1c77 h VAL 64 CO -0.01 0.46 0.32 -0.08 -1.23 0.00 0.00 177.57 177.04 1c77 h GLU 65 N 0.52 0.72 -0.32 5.19 4.81 -1.08 -0.51 114.58 123.90 1c77 h GLU 65 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1c77 h GLU 65 Cb 0.81 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1c77 h GLU 65 CO 0.07 0.52 -0.10 -1.49 -0.73 0.00 0.00 179.01 177.27 1c77 h TRP 66 N 0.71 0.58 -0.55 0.92 6.55 -0.72 -1.75 115.95 121.68 1c77 h TRP 66 Ca 0.19 -0.08 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 1c77 h TRP 66 Cb -0.02 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.10 1c77 h TRP 66 CO -0.03 0.63 0.31 0.00 -1.05 0.00 0.00 178.44 178.30 1c77 h ALA 67 N 1.40 1.51 0.00 1.49 0.00 0.64 -2.48 119.26 121.81 1c77 h ALA 67 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c77 h ALA 67 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1c77 h ALA 67 CO 0.03 0.42 -0.02 -0.07 0.00 0.00 0.00 179.25 179.60 1c77 h LEU 68 N 0.77 0.00 -0.25 0.00 3.38 -0.23 -3.16 115.31 115.82 1c77 h LEU 68 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1c77 h LEU 68 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1c77 h LEU 68 CO -0.03 0.02 0.00 0.47 0.09 0.00 0.00 178.44 178.98 1c77 n ASP 69 N -3.13 0.16 -2.06 -0.43 8.00 -0.93 -1.36 116.55 116.79 1c77 n ASP 69 Ca -0.00 0.55 -0.11 0.00 0.71 0.00 0.00 54.79 55.94 1c77 n ASP 69 Cb 0.27 -0.58 0.27 0.00 -0.02 0.00 0.00 41.12 41.05 1c77 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c77 n ALA 70 N -1.57 4.89 -2.29 2.24 0.00 -1.20 -4.69 120.51 117.89 1c77 n ALA 70 Ca 0.02 -2.53 -0.19 0.00 0.00 0.00 0.00 53.44 50.73 1c77 n ALA 70 Cb 0.11 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 1c77 n ALA 70 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1c77 s THR 71 N -3.10 0.04 -0.58 0.00 -4.23 -0.47 -5.01 115.64 102.30 1c77 s THR 71 Ca 0.56 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.21 1c77 s THR 71 Cb 0.45 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.95 1c77 s THR 71 CO 0.13 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.65 1c77 n ALA 72 N -0.61 1.19 -1.25 3.99 0.00 -1.26 -2.48 120.51 120.09 1c77 n ALA 72 Ca 0.06 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1c77 n ALA 72 Cb 0.63 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 19.08 1c77 n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1c77 n TYR 73 N -1.94 1.90 0.29 0.00 4.01 -1.26 -4.64 117.16 115.53 1c77 n TYR 73 Ca 0.00 -1.49 0.14 0.00 -0.16 0.00 0.00 57.90 56.38 1c77 n TYR 73 Cb 0.07 -0.64 0.86 0.00 -0.31 0.00 0.00 39.34 39.32 1c77 n TYR 73 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1c77 h LYS 74 N 1.46 0.00 -0.05 -0.72 2.10 -1.26 -0.69 116.57 117.40 1c77 h LYS 74 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1c77 h LYS 74 Cb 2.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.44 1c77 h LYS 74 CO 0.64 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.48 1c77 n GLU 75 N -3.99 1.30 -3.36 0.07 -0.58 -1.26 -4.70 120.64 108.12 1c77 n GLU 75 Ca -0.03 -0.45 -0.25 0.00 -0.42 0.00 0.00 57.16 56.01 1c77 n GLU 75 Cb 0.08 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 1c77 n GLU 75 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1c77 s PHE 76 N -1.94 3.50 0.20 -0.32 0.40 -0.27 -2.24 117.98 117.32 1c77 s PHE 76 Ca 0.34 0.41 0.09 0.00 -0.60 0.00 0.00 56.93 57.17 1c77 s PHE 76 Cb 0.17 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1c77 s PHE 76 CO 0.27 0.13 -0.09 1.03 0.70 0.00 0.00 175.22 177.26 1c77 s ARG 77 N -4.17 2.07 -0.21 0.44 1.81 -0.14 -4.83 118.95 113.93 1c77 s ARG 77 Ca 0.41 -1.32 -0.25 0.00 -1.72 0.00 0.00 55.73 52.84 1c77 s ARG 77 Cb -0.10 -2.14 -0.01 0.00 -0.45 0.00 0.00 34.95 32.26 1c77 s ARG 77 CO 0.35 0.42 0.85 0.08 -0.68 0.00 0.00 175.30 176.32 1c77 s VAL 78 N -1.84 4.84 -0.23 3.52 1.01 -1.26 -2.03 120.40 124.41 1c77 s VAL 78 Ca 0.26 1.65 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 1c77 s VAL 78 Cb -0.08 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.98 1c77 s VAL 78 CO 0.16 -0.04 -0.04 0.52 0.00 0.00 0.00 175.10 175.70 1c77 n VAL 79 N 5.03 1.55 -3.81 2.92 0.31 0.13 -4.99 118.33 119.48 1c77 n VAL 79 Ca 0.06 -0.28 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 1c77 n VAL 79 Cb 0.48 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.42 1c77 n VAL 79 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1c77 s GLU 80 N -2.45 0.48 -0.02 5.55 2.02 -1.17 -5.00 118.70 118.10 1c77 s GLU 80 Ca -0.33 -0.10 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1c77 s GLU 80 Cb 0.10 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 1c77 s GLU 80 CO 0.57 -0.11 0.01 -1.17 0.02 0.00 0.00 175.26 174.58 1c77 s LEU 81 N -0.89 3.57 0.02 1.80 2.96 -1.26 -1.08 118.68 123.79 1c77 s LEU 81 Ca -0.10 0.04 -0.34 0.00 -0.22 0.00 0.00 54.13 53.52 1c77 s LEU 81 Cb -0.05 -2.00 -0.12 0.00 0.50 0.00 0.00 46.19 44.52 1c77 s LEU 81 CO 0.02 0.30 1.77 -0.67 -1.32 0.00 0.00 176.35 176.45 1c77 n ASP 82 N 1.55 3.37 0.10 3.68 -0.08 -0.95 -4.86 116.55 119.36 1c77 n ASP 82 Ca -0.15 1.01 0.10 0.00 -1.51 0.00 0.00 54.79 54.24 1c77 n ASP 82 Cb 0.53 -1.41 0.44 0.00 2.34 0.00 0.00 41.12 43.02 1c77 n ASP 82 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1c77 n PRO 83 N 5.41 0.13 -0.05 -0.67 -0.04 -1.26 -2.05 135.00 136.48 1c77 n PRO 83 Ca 0.20 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.20 1c77 n PRO 83 Cb 0.30 -1.78 0.46 0.00 -0.04 0.00 0.00 33.50 32.44 1c77 n PRO 83 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1c77 n SER 84 N -2.03 1.40 -4.73 3.54 3.41 -1.26 -4.94 113.62 108.99 1c77 n SER 84 Ca 0.02 -1.59 -0.35 0.00 -0.26 0.00 0.00 58.87 56.69 1c77 n SER 84 Cb 0.17 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1c77 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c77 s ALA 85 N -1.88 2.28 0.05 7.33 0.00 -0.87 -5.03 121.76 123.64 1c77 s ALA 85 Ca 0.34 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 1c77 s ALA 85 Cb 0.18 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1c77 s ALA 85 CO 0.28 -1.63 0.40 -1.59 0.00 0.00 0.00 175.76 173.23 1c77 s LYS 86 N -3.70 0.93 -0.20 0.00 -2.85 -1.26 -3.87 119.74 108.78 1c77 s LYS 86 Ca 0.76 -0.41 -0.10 0.00 -1.00 0.00 0.00 55.97 55.22 1c77 s LYS 86 Cb -0.30 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 35.83 1c77 s LYS 86 CO 0.41 -0.32 0.12 0.42 0.10 0.00 0.00 175.35 176.08 1c77 s ILE 87 N -2.63 5.35 0.05 3.79 -1.09 -0.10 -4.34 121.20 122.22 1c77 s ILE 87 Ca -0.04 0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.60 1c77 s ILE 87 Cb -0.00 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1c77 s ILE 87 CO -0.03 0.44 -0.15 -1.83 -1.23 0.00 0.00 174.94 172.13 1c77 s GLU 88 N 0.38 1.00 -0.04 2.79 -1.05 -0.46 -1.07 118.70 120.24 1c77 s GLU 88 Ca 0.08 -0.82 0.03 0.00 -0.15 0.00 0.00 54.97 54.10 1c77 s GLU 88 Cb -0.11 -1.03 0.01 0.00 -0.44 0.00 0.00 34.13 32.55 1c77 s GLU 88 CO -0.02 0.25 -0.11 0.54 0.95 0.00 0.00 175.26 176.88 1c77 s VAL 89 N -0.90 0.99 -0.11 1.83 0.11 -0.76 -0.68 120.40 120.88 1c77 s VAL 89 Ca 0.02 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1c77 s VAL 89 Cb -0.08 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1c77 s VAL 89 CO 0.02 0.31 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.02 1c77 s THR 90 N 0.40 2.54 0.30 5.04 2.01 -1.26 -2.17 115.64 122.50 1c77 s THR 90 Ca -0.08 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 1c77 s THR 90 Cb -0.12 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1c77 s THR 90 CO 0.02 0.55 0.36 -0.72 -0.69 0.00 0.00 174.62 174.14 1c77 s TYR 91 N 0.28 1.17 -0.29 4.92 1.13 -0.79 -4.82 117.35 118.95 1c77 s TYR 91 Ca -0.13 -1.33 -0.08 0.00 -1.41 0.00 0.00 57.07 54.11 1c77 s TYR 91 Cb -0.17 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.39 1c77 s TYR 91 CO 0.07 -0.96 0.11 -0.47 -2.51 0.00 0.00 175.55 171.79 1c77 s TYR 92 N -3.48 3.15 -0.04 -3.49 5.04 -1.26 -0.78 117.35 116.48 1c77 s TYR 92 Ca 0.34 -0.72 -0.30 0.00 -2.44 0.00 0.00 57.07 53.95 1c77 s TYR 92 Cb 0.02 -2.29 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 1c77 s TYR 92 CO 0.19 -0.49 1.26 0.34 -1.34 0.00 0.00 175.55 175.51 1c77 s ASP 93 N 1.57 6.99 0.48 4.32 -1.08 -0.16 -4.85 116.67 123.93 1c77 s ASP 93 Ca 0.04 1.90 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 1c77 s ASP 93 Cb -0.17 -2.56 0.71 0.00 -1.46 0.00 0.00 42.92 39.44 1c77 s ASP 93 CO 0.04 -0.63 1.74 0.07 0.52 0.00 0.00 175.17 176.92 1c77 h LYS 94 N 7.58 0.00 0.03 4.34 2.10 -1.89 0.17 116.57 128.90 1c77 h LYS 94 Ca -0.35 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.09 1c77 h LYS 94 Cb 1.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1c77 h LYS 94 CO 0.89 0.01 -1.11 -0.91 -2.00 0.00 0.00 179.45 176.32 1c77 h ASN 95 N 0.00 0.09 1.51 7.07 -0.26 -1.96 -3.38 115.58 118.65 1c77 h ASN 95 Ca -0.00 -0.68 0.00 0.00 -0.56 0.00 0.00 56.30 55.06 1c77 h ASN 95 Cb 0.83 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1c77 h ASN 95 CO 0.00 1.45 -0.03 0.11 -1.06 0.00 0.00 177.43 177.90 1c77 h LYS 96 N -0.81 0.00 -5.95 0.81 1.57 -1.96 -3.47 116.57 106.74 1c77 h LYS 96 Ca -0.29 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.09 1c77 h LYS 96 Cb 1.38 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.78 1c77 h LYS 96 CO -0.11 0.00 -0.77 1.63 -0.57 0.00 0.00 179.45 179.64 1c77 n LYS 97 N -2.36 -6.21 -3.97 3.15 4.01 0.04 -4.99 118.16 107.83 1c77 n LYS 97 Ca 0.05 0.73 -0.10 0.00 -0.51 0.00 0.00 58.31 58.48 1c77 n LYS 97 Cb 0.44 -5.59 -0.07 0.00 -0.51 0.00 0.00 35.03 29.31 1c77 n LYS 97 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1c77 s LYS 98 N -6.01 1.27 0.03 1.97 2.20 -1.21 -4.98 119.74 113.01 1c77 s LYS 98 Ca 0.26 -1.20 -0.22 0.00 -0.36 0.00 0.00 55.97 54.45 1c77 s LYS 98 Cb -0.12 0.40 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 1c77 s LYS 98 CO 0.77 -0.49 0.67 -2.00 -0.36 0.00 0.00 175.35 173.95 1c77 s GLU 99 N -3.98 4.40 0.06 4.03 2.12 -1.26 -0.99 118.70 123.06 1c77 s GLU 99 Ca 0.19 0.89 0.07 0.00 0.36 0.00 0.00 54.97 56.48 1c77 s GLU 99 Cb 0.02 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1c77 s GLU 99 CO 0.03 0.35 -0.21 -2.00 -0.54 0.00 0.00 175.26 172.89 1c77 s GLU 100 N -0.22 1.32 -0.03 4.30 2.56 0.04 -4.92 118.70 121.75 1c77 s GLU 100 Ca 0.34 -0.99 -0.00 0.00 0.00 0.00 0.00 54.97 54.32 1c77 s GLU 100 Cb -0.19 -1.47 0.03 0.00 2.00 0.00 0.00 34.13 34.50 1c77 s GLU 100 CO 0.20 0.37 0.02 0.99 -0.56 0.00 0.00 175.26 176.27 1c77 s THR 101 N -0.88 0.09 -0.04 -1.70 2.01 -1.26 -1.89 115.64 111.97 1c77 s THR 101 Ca 0.07 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1c77 s THR 101 Cb -0.09 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1c77 s THR 101 CO 0.02 0.15 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.45 1c77 s LYS 102 N 1.35 2.54 0.03 4.92 -0.14 -0.92 -4.98 119.74 122.54 1c77 s LYS 102 Ca -0.05 -0.68 0.08 0.00 -1.36 0.00 0.00 55.97 53.96 1c77 s LYS 102 Cb -0.13 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 1c77 s LYS 102 CO -0.03 0.63 -0.24 -1.12 -0.76 0.00 0.00 175.35 173.83 1c77 s SER 103 N -0.91 3.35 -0.06 2.83 0.01 -1.26 -1.83 113.70 115.83 1c77 s SER 103 Ca 0.13 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1c77 s SER 103 Cb -0.11 -0.41 0.02 0.00 0.21 0.00 0.00 66.02 65.73 1c77 s SER 103 CO 0.02 0.28 -0.07 -0.36 0.41 0.00 0.00 173.24 173.52 1c77 s PHE 104 N -0.79 1.01 0.65 2.43 0.08 -0.23 -4.98 117.98 116.15 1c77 s PHE 104 Ca 0.12 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 1c77 s PHE 104 Cb -0.10 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1c77 s PHE 104 CO 0.02 -0.24 1.03 -1.25 -0.10 0.00 0.00 175.22 174.68 1c77 s PRO 105 N 0.91 3.22 -0.26 0.24 0.04 -1.26 -0.92 135.00 136.97 1c77 s PRO 105 Ca -0.11 0.52 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 1c77 s PRO 105 Cb -0.15 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1c77 s PRO 105 CO 0.01 -0.76 0.16 0.42 0.04 0.00 0.00 177.00 176.87 1c77 s ILE 106 N -3.21 5.20 0.22 0.56 1.09 -1.25 -4.81 121.20 119.00 1c77 s ILE 106 Ca 0.56 0.13 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 1c77 s ILE 106 Cb -0.11 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.80 1c77 s ILE 106 CO 0.52 0.30 0.16 0.42 -0.10 0.00 0.00 174.94 176.24 1c77 s THR 107 N 1.47 0.00 0.15 2.92 -4.23 -1.26 -4.94 115.64 109.75 1c77 s THR 107 Ca 0.07 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.47 1c77 s THR 107 Cb -0.15 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.21 1c77 s THR 107 CO 0.08 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 175.69 1c77 h GLU 108 N 2.53 0.84 -0.10 3.99 4.81 -1.96 -1.77 114.58 122.93 1c77 h GLU 108 Ca -0.34 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 58.53 1c77 h GLU 108 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1c77 h GLU 108 CO 0.50 0.87 -0.42 -0.22 -0.73 0.00 0.00 179.01 179.01 1c77 h LYS 109 N 0.71 0.23 0.00 1.92 3.64 -1.97 -3.39 116.57 117.71 1c77 h LYS 109 Ca 0.14 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1c77 h LYS 109 Cb 0.47 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1c77 h LYS 109 CO 0.02 0.62 0.00 0.41 -2.27 0.00 0.00 179.45 178.23 1c77 n GLY 110 N -0.16 -1.90 3.20 5.01 0.00 -1.05 -4.76 105.19 105.54 1c77 n GLY 110 Ca -0.02 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 1c77 n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c77 s PHE 111 N 0.00 0.13 -0.19 1.61 -0.71 -1.09 -4.89 117.98 112.84 1c77 s PHE 111 Ca 0.00 -0.51 -0.15 0.00 -1.04 0.00 0.00 56.93 55.22 1c77 s PHE 111 Cb 0.00 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1c77 s PHE 111 CO 0.00 -0.52 0.36 0.08 -1.34 0.00 0.00 175.22 173.81 1c77 s VAL 112 N -3.58 5.23 -0.00 -2.49 1.01 -1.26 -0.41 120.40 118.91 1c77 s VAL 112 Ca 0.03 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1c77 s VAL 112 Cb 0.04 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1c77 s VAL 112 CO -0.09 0.30 1.90 -0.69 0.00 0.00 0.00 175.10 176.51 1c77 s VAL 113 N 1.02 3.17 0.62 2.92 1.01 0.31 -4.89 120.40 124.55 1c77 s VAL 113 Ca 0.18 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 1c77 s VAL 113 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1c77 s VAL 113 CO 0.07 -0.02 1.04 -2.16 0.00 0.00 0.00 175.10 174.03 1c77 s PRO 114 N 4.46 3.33 -0.31 2.72 0.04 -1.26 -1.66 135.00 142.32 1c77 s PRO 114 Ca 0.85 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 1c77 s PRO 114 Cb -0.40 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1c77 s PRO 114 CO 0.38 -0.78 0.44 0.34 0.04 0.00 0.00 177.00 177.42 1c77 s ASP 115 N -3.35 6.28 -0.19 6.66 2.15 -1.26 -4.78 116.67 122.18 1c77 s ASP 115 Ca 0.60 0.09 0.16 0.00 0.43 0.00 0.00 52.55 53.82 1c77 s ASP 115 Cb -0.14 -2.24 0.66 0.00 -0.30 0.00 0.00 42.92 40.90 1c77 s ASP 115 CO 0.44 -0.34 1.57 0.18 -0.17 0.00 0.00 175.17 176.85 1c77 n LEU 116 N 5.52 4.67 -0.37 -1.34 4.77 -1.26 -4.73 117.00 124.26 1c77 n LEU 116 Ca -0.07 -2.90 -0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1c77 n LEU 116 Cb 0.50 -0.59 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1c77 n LEU 116 CO 0.41 0.67 0.58 -1.20 -1.33 0.00 0.00 177.39 176.52 1c77 n SER 117 N 0.12 -0.61 -0.41 -1.43 7.64 -1.24 -0.08 113.62 117.61 1c77 n SER 117 Ca 0.24 1.70 0.33 0.00 1.01 0.00 0.00 58.87 62.15 1c77 n SER 117 Cb 1.00 -0.40 0.62 0.00 -1.01 0.00 0.00 64.21 64.42 1c77 n SER 117 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1c77 h GLU 118 N 0.00 0.16 0.00 1.43 4.81 -2.02 -3.09 114.58 115.87 1c77 h GLU 118 Ca 0.35 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 59.26 1c77 h GLU 118 Cb 0.60 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1c77 h GLU 118 CO -0.97 0.10 -2.20 0.72 -0.73 0.00 0.00 179.01 175.93 1c77 n HIS 119 N -4.62 0.00 -3.74 0.92 8.25 0.88 -4.87 115.22 112.05 1c77 n HIS 119 Ca 0.33 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1c77 n HIS 119 Cb 1.29 -0.82 -0.11 0.00 1.12 0.00 0.00 29.99 31.47 1c77 n HIS 119 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1c77 s ILE 120 N -2.42 -0.01 0.04 1.59 2.07 -0.45 -4.86 121.20 117.16 1c77 s ILE 120 Ca -0.26 0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 58.83 1c77 s ILE 120 Cb 0.07 -0.49 -0.16 0.00 0.13 0.00 0.00 42.46 42.01 1c77 s ILE 120 CO 0.51 0.01 1.27 0.07 -1.91 0.00 0.00 174.94 174.90 1c77 h LYS 121 N 6.06 0.49 -2.24 3.50 2.10 -1.84 -3.29 116.57 121.35 1c77 h LYS 121 Ca -0.30 -0.35 -0.60 0.00 -2.00 0.00 0.00 60.65 57.40 1c77 h LYS 121 Cb 1.18 0.06 -0.42 0.00 -0.90 0.00 0.00 32.23 32.15 1c77 h LYS 121 CO 0.30 0.97 -0.56 0.27 -2.00 0.00 0.00 179.45 178.42 1c77 n ASN 122 N -4.33 4.12 -4.79 7.07 6.94 -1.26 -3.80 115.26 119.21 1c77 n ASN 122 Ca -0.07 -3.54 -0.35 0.00 -0.02 0.00 0.00 54.58 50.60 1c77 n ASN 122 Cb 0.52 -0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 1c77 n ASN 122 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1c77 s PRO 123 N -2.86 3.76 -0.31 -0.53 0.04 -1.26 -4.77 135.00 129.07 1c77 s PRO 123 Ca 0.43 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1c77 s PRO 123 Cb 0.19 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1c77 s PRO 123 CO -0.05 -0.48 0.19 0.20 0.04 0.00 0.00 177.00 176.89 1c77 s GLY 124 N -1.80 1.91 -0.37 0.56 0.00 -1.26 -1.45 107.32 104.90 1c77 s GLY 124 Ca 0.67 -1.33 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 1c77 s GLY 124 CO 0.24 0.71 0.52 -1.36 0.00 0.00 0.00 173.10 173.21 1c77 s PHE 125 N 1.68 3.16 -0.11 1.90 0.40 0.53 -4.46 117.98 121.08 1c77 s PHE 125 Ca 0.06 0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.20 1c77 s PHE 125 Cb -0.17 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 40.36 1c77 s PHE 125 CO 0.08 -0.61 0.75 1.21 0.70 0.00 0.00 175.22 177.35 1c77 s ASN 126 N 1.80 6.95 -0.20 1.36 3.84 0.14 -0.46 114.94 128.38 1c77 s ASN 126 Ca 0.18 1.16 -0.00 0.00 0.21 0.00 0.00 52.86 54.41 1c77 s ASN 126 Cb -0.15 -2.42 0.05 0.00 -0.55 0.00 0.00 41.25 38.17 1c77 s ASN 126 CO 0.14 -0.24 -0.04 -0.22 -2.79 0.00 0.00 177.10 173.95 1c77 s LEU 127 N 1.40 1.99 -0.21 3.21 2.96 -0.55 -1.35 118.68 126.13 1c77 s LEU 127 Ca 0.37 -0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1c77 s LEU 127 Cb -0.17 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.52 1c77 s LEU 127 CO 0.16 -0.22 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.25 1c77 s ILE 128 N 1.55 2.96 0.25 6.68 1.01 -1.26 0.14 121.20 132.53 1c77 s ILE 128 Ca -0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 1c77 s ILE 128 Cb -0.17 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1c77 s ILE 128 CO -0.07 0.42 0.59 0.42 0.00 0.00 0.00 174.94 176.29 1c77 s THR 129 N 1.41 0.00 -0.01 2.92 -4.23 -0.79 -4.59 115.64 110.36 1c77 s THR 129 Ca 0.05 -1.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1c77 s THR 129 Cb -0.14 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1c77 s THR 129 CO -0.06 -0.01 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.08 1c77 s LYS 130 N -3.96 2.27 -0.01 3.99 2.20 -1.26 -1.27 119.74 121.70 1c77 s LYS 130 Ca 0.16 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1c77 s LYS 130 Cb -0.03 -2.24 -0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1c77 s LYS 130 CO 0.07 0.58 0.06 0.14 -0.36 0.00 0.00 175.35 175.84 1c77 s VAL 131 N -0.78 0.06 -0.03 4.02 -7.23 -0.18 -2.23 120.40 114.03 1c77 s VAL 131 Ca 0.12 -0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 1c77 s VAL 131 Cb -0.10 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 1c77 s VAL 131 CO 0.02 -0.26 0.69 -0.69 -0.31 0.00 0.00 175.10 174.55 1c77 s VAL 132 N -0.81 4.96 0.09 1.32 1.01 -0.24 -0.81 120.40 125.92 1c77 s VAL 132 Ca -0.09 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1c77 s VAL 132 Cb -0.05 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1c77 s VAL 132 CO 0.00 0.31 -0.11 0.27 0.00 0.00 0.00 175.10 175.57 1c77 s ILE 133 N 0.44 1.00 -0.00 2.22 -4.36 -0.63 -0.69 121.20 119.18 1c77 s ILE 133 Ca 0.36 -1.57 -0.12 0.00 -0.26 0.00 0.00 60.65 59.06 1c77 s ILE 133 Cb -0.18 -1.30 0.02 0.00 1.25 0.00 0.00 42.46 42.24 1c77 s ILE 133 CO 0.19 -0.48 0.26 -1.83 0.24 0.00 0.00 174.94 173.31 1c77 s GLU 134 N -2.56 0.64 0.34 0.37 -1.05 -0.86 -4.52 118.70 111.06 1c77 s GLU 134 Ca 0.04 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.27 1c77 s GLU 134 Cb -0.05 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.81 1c77 s GLU 134 CO 0.01 -0.17 1.43 0.21 0.95 0.00 0.00 175.26 177.69 1c77 s LYS 135 N -1.54 4.20 0.00 -4.83 2.20 -1.26 -0.96 119.74 117.54 1c77 s LYS 135 Ca -0.13 2.44 0.07 0.00 -0.36 0.00 0.00 55.97 57.99 1c77 s LYS 135 Cb -0.05 -3.02 0.39 0.00 -1.51 0.00 0.00 37.83 33.64 1c77 s LYS 135 CO 0.02 -0.42 0.85 1.17 -0.36 0.00 0.00 175.35 176.61