#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c76 h TYR 17 N 0.00 0.00 -1.83 0.66 3.20 -2.08 -3.47 116.97 113.45 1c76 h TYR 17 Ca 0.00 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.36 1c76 h TYR 17 Cb 0.00 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1c76 h TYR 17 CO 0.00 0.09 -0.47 -0.06 -1.64 0.00 0.00 178.16 176.09 1c76 s PHE 18 N -3.18 2.84 0.68 -3.82 0.08 -1.26 -5.08 117.98 108.24 1c76 s PHE 18 Ca 0.06 -0.34 -0.17 0.00 0.12 0.00 0.00 56.93 56.60 1c76 s PHE 18 Cb 0.06 -1.79 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1c76 s PHE 18 CO 0.70 0.20 1.13 -0.85 -0.10 0.00 0.00 175.22 176.29 1c76 n GLU 19 N -1.33 0.78 -1.33 0.44 0.28 -1.26 -4.90 120.64 113.32 1c76 n GLU 19 Ca -0.02 0.32 -0.34 0.00 -0.16 0.00 0.00 57.16 56.97 1c76 n GLU 19 Cb 0.60 -2.36 0.10 0.00 1.43 0.00 0.00 31.44 31.21 1c76 n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1c76 s PRO 20 N -3.34 2.00 0.00 3.44 0.02 -1.26 -4.96 135.00 130.90 1c76 s PRO 20 Ca 0.78 1.68 0.15 0.00 0.02 0.00 0.00 61.00 63.64 1c76 s PRO 20 Cb -0.37 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 1c76 s PRO 20 CO 0.45 -1.92 0.78 0.25 -0.33 0.00 0.00 177.00 176.23 1c76 n THR 21 N -2.98 0.00 -4.12 0.99 -2.24 -1.26 -4.84 114.28 99.83 1c76 n THR 21 Ca 0.13 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1c76 n THR 21 Cb 0.51 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1c76 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c76 n GLY 22 N 1.19 3.75 3.78 3.38 0.00 -1.26 -4.32 105.19 111.72 1c76 n GLY 22 Ca 0.05 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1c76 n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1c76 s PRO 23 N -2.45 4.09 0.02 1.61 0.02 -1.25 -4.33 135.00 132.72 1c76 s PRO 23 Ca 0.10 2.60 -0.15 0.00 0.02 0.00 0.00 61.00 63.56 1c76 s PRO 23 Cb 0.00 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.59 1c76 s PRO 23 CO 0.07 -0.56 0.33 1.52 -0.33 0.00 0.00 177.00 178.03 1c76 s TYR 24 N -1.10 -0.17 -0.11 6.54 1.13 -0.51 -1.72 117.35 121.41 1c76 s TYR 24 Ca 0.53 0.14 -0.17 0.00 -1.41 0.00 0.00 57.07 56.16 1c76 s TYR 24 Cb -0.47 0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.47 1c76 s TYR 24 CO 0.64 -0.48 0.43 -1.17 -2.51 0.00 0.00 175.55 172.45 1c76 s LEU 25 N -1.78 4.30 -0.31 -3.49 2.96 0.13 0.40 118.68 120.88 1c76 s LEU 25 Ca -0.08 0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1c76 s LEU 25 Cb -0.02 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.08 1c76 s LEU 25 CO -0.00 0.07 0.08 -0.32 -1.32 0.00 0.00 176.35 174.86 1c76 s MET 26 N 0.34 2.91 -0.25 1.98 1.75 0.15 -0.90 119.30 125.27 1c76 s MET 26 Ca 0.23 -0.98 -0.09 0.00 -1.25 0.00 0.00 55.69 53.60 1c76 s MET 26 Cb -0.15 -3.39 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 1c76 s MET 26 CO 0.09 -0.52 0.13 0.08 -0.65 0.00 0.00 175.02 174.14 1c76 s VAL 27 N 1.46 4.88 -0.44 10.11 1.01 -0.23 -0.33 120.40 136.86 1c76 s VAL 27 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1c76 s VAL 27 Cb -0.18 -3.29 0.14 0.00 0.00 0.00 0.00 36.38 33.05 1c76 s VAL 27 CO 0.02 0.32 0.25 0.20 0.00 0.00 0.00 175.10 175.89 1c76 s ASN 28 N 1.45 3.57 0.06 3.32 -0.87 0.15 -2.90 114.94 119.72 1c76 s ASN 28 Ca 0.06 -2.65 0.08 0.00 -1.57 0.00 0.00 52.86 48.78 1c76 s ASN 28 Cb -0.15 -0.99 -0.03 0.00 -0.02 0.00 0.00 41.25 40.06 1c76 s ASN 28 CO 0.06 -0.26 -0.22 0.54 -2.57 0.00 0.00 177.10 174.65 1c76 s VAL 29 N 0.33 1.82 -0.22 1.60 0.11 -1.26 -2.14 120.40 120.65 1c76 s VAL 29 Ca 0.18 -1.35 -0.07 0.00 -2.93 0.00 0.00 61.98 57.82 1c76 s VAL 29 Cb -0.23 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1c76 s VAL 29 CO -0.01 0.18 0.05 -0.89 -3.33 0.00 0.00 175.10 171.10 1c76 s THR 30 N -0.89 4.36 -0.13 5.04 2.01 0.05 -3.31 115.64 122.77 1c76 s THR 30 Ca 0.09 -0.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 1c76 s THR 30 Cb -0.09 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1c76 s THR 30 CO 0.03 0.40 0.34 -0.83 -0.69 0.00 0.00 174.62 173.86 1c76 s GLY 31 N 1.07 2.28 0.32 4.40 0.00 -0.82 -1.33 107.32 113.25 1c76 s GLY 31 Ca 0.04 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.42 1c76 s GLY 31 CO 0.03 0.43 0.04 -1.34 0.00 0.00 0.00 173.10 172.26 1c76 s VAL 32 N 0.23 1.25 0.61 1.40 -7.23 -0.40 -0.48 120.40 115.79 1c76 s VAL 32 Ca 0.19 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1c76 s VAL 32 Cb -0.14 -2.75 0.11 0.00 0.56 0.00 0.00 36.38 34.16 1c76 s VAL 32 CO 0.06 -0.04 0.84 -0.90 -0.31 0.00 0.00 175.10 174.75 1c76 n ASP 33 N -0.68 1.68 0.32 4.85 5.68 -0.88 -1.73 116.55 125.80 1c76 n ASP 33 Ca -0.03 -2.29 0.20 0.00 -0.50 0.00 0.00 54.79 52.18 1c76 n ASP 33 Cb 0.66 -0.49 1.08 0.00 -1.14 0.00 0.00 41.12 41.23 1c76 n ASP 33 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1c76 h GLY 34 N -0.19 0.00 -2.14 6.12 0.00 -1.92 -2.33 103.07 102.61 1c76 h GLY 34 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1c76 h GLY 34 CO 0.35 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.06 1c76 n LYS 35 N -3.20 2.43 -2.17 4.80 4.81 -1.26 -4.96 118.16 118.60 1c76 n LYS 35 Ca -0.02 -2.14 -0.04 0.00 -0.87 0.00 0.00 58.31 55.23 1c76 n LYS 35 Cb 0.15 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.73 1c76 n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1c76 n GLY 36 N 1.46 0.29 3.27 3.14 0.00 -0.88 -5.03 105.19 107.44 1c76 n GLY 36 Ca 0.18 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1c76 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c76 s ASN 37 N -3.23 3.15 0.23 1.61 0.01 -1.26 -4.93 114.94 110.52 1c76 s ASN 37 Ca 0.07 -0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 51.42 1c76 s ASN 37 Cb -0.01 -1.00 -0.09 0.00 0.41 0.00 0.00 41.25 40.57 1c76 s ASN 37 CO 0.20 0.23 1.01 -0.70 -1.51 0.00 0.00 177.10 176.33 1c76 s GLU 38 N -0.05 4.74 -0.08 -0.60 2.12 -1.26 -2.06 118.70 121.50 1c76 s GLU 38 Ca -0.07 1.61 0.03 0.00 0.36 0.00 0.00 54.97 56.91 1c76 s GLU 38 Cb -0.15 -3.26 -0.07 0.00 0.26 0.00 0.00 34.13 30.91 1c76 s GLU 38 CO 0.05 0.33 -0.02 1.28 -0.54 0.00 0.00 175.26 176.36 1c76 n LEU 39 N 1.68 1.40 -3.83 2.70 4.77 0.37 -4.94 117.00 119.16 1c76 n LEU 39 Ca -0.01 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 1c76 n LEU 39 Cb 0.46 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1c76 n LEU 39 CO 0.52 0.39 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.37 1c76 s LEU 40 N -4.97 1.28 0.51 2.23 2.96 -1.10 -5.00 118.68 114.60 1c76 s LEU 40 Ca -0.07 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 1c76 s LEU 40 Cb 0.02 -0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.45 1c76 s LEU 40 CO 0.24 -0.08 0.88 -0.44 -1.32 0.00 0.00 176.35 175.63 1c76 s SER 41 N 0.87 6.38 0.17 3.68 0.01 -1.26 -1.94 113.70 121.60 1c76 s SER 41 Ca -0.09 1.23 -0.34 0.00 1.31 0.00 0.00 55.95 58.06 1c76 s SER 41 Cb -0.12 -2.37 -0.15 0.00 0.21 0.00 0.00 66.02 63.58 1c76 s SER 41 CO -0.01 -0.62 1.32 -2.65 0.41 0.00 0.00 173.24 171.69 1c76 n PRO 42 N -2.04 1.51 -4.29 12.44 -0.02 -1.21 -4.80 135.00 136.60 1c76 n PRO 42 Ca 0.04 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 1c76 n PRO 42 Cb 0.54 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 1c76 n PRO 42 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1c76 s HIS 43 N 0.16 2.77 0.00 6.00 3.76 -1.26 -4.90 115.29 121.82 1c76 s HIS 43 Ca 0.75 -1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 53.93 1c76 s HIS 43 Cb -0.80 -1.91 -0.07 0.00 1.11 0.00 0.00 32.58 30.91 1c76 s HIS 43 CO 0.48 -0.70 1.75 -0.47 -0.85 0.00 0.00 174.74 174.96 1c76 s TYR 44 N 1.13 1.85 -0.04 1.40 6.14 -1.26 -4.48 117.35 122.09 1c76 s TYR 44 Ca 0.01 0.01 -0.03 0.00 0.64 0.00 0.00 57.07 57.70 1c76 s TYR 44 Cb -0.14 -4.03 0.02 0.00 0.42 0.00 0.00 41.96 38.23 1c76 s TYR 44 CO -0.08 -4.40 0.10 0.54 0.64 0.00 0.00 175.55 172.35 1c76 s VAL 45 N 3.88 -0.02 0.04 3.14 0.11 -1.14 -5.01 120.40 121.40 1c76 s VAL 45 Ca 0.78 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.98 1c76 s VAL 45 Cb -0.38 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1c76 s VAL 45 CO 0.34 0.03 -0.22 -1.83 -3.33 0.00 0.00 175.10 170.08 1c76 s GLU 46 N 0.46 1.93 -0.06 1.54 -1.05 -1.26 -1.06 118.70 119.19 1c76 s GLU 46 Ca -0.03 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 1c76 s GLU 46 Cb -0.05 -2.08 0.02 0.00 -0.44 0.00 0.00 34.13 31.58 1c76 s GLU 46 CO -0.02 0.53 -0.04 -0.06 0.95 0.00 0.00 175.26 176.62 1c76 s PHE 47 N -0.87 0.87 0.54 4.83 0.08 -0.08 -4.97 117.98 118.37 1c76 s PHE 47 Ca 0.13 -0.29 -0.21 0.00 0.12 0.00 0.00 56.93 56.68 1c76 s PHE 47 Cb -0.10 -0.81 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 1c76 s PHE 47 CO 0.04 -0.29 1.29 -1.25 -0.10 0.00 0.00 175.22 174.91 1c76 s PRO 48 N 1.35 3.22 0.02 0.24 0.04 -1.26 0.18 135.00 138.79 1c76 s PRO 48 Ca -0.04 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 1c76 s PRO 48 Cb -0.13 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1c76 s PRO 48 CO -0.03 -1.07 0.13 0.96 0.04 0.00 0.00 177.00 177.03 1c76 s ILE 49 N -1.41 0.10 -0.05 0.56 -4.36 -0.70 -4.74 121.20 110.61 1c76 s ILE 49 Ca 0.71 -0.85 0.04 0.00 -0.26 0.00 0.00 60.65 60.30 1c76 s ILE 49 Cb -0.36 -0.64 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1c76 s ILE 49 CO 0.42 -0.47 -0.16 -1.59 0.24 0.00 0.00 174.94 173.39 1c76 s LYS 50 N -1.92 2.48 0.53 0.37 -2.85 -1.26 -4.31 119.74 112.77 1c76 s LYS 50 Ca -0.11 -0.73 -0.20 0.00 -1.00 0.00 0.00 55.97 53.93 1c76 s LYS 50 Cb -0.05 -2.34 -0.08 0.00 -2.06 0.00 0.00 37.83 33.31 1c76 s LYS 50 CO -0.01 0.60 0.85 -2.30 0.10 0.00 0.00 175.35 174.59 1c76 n PRO 51 N 2.37 0.92 0.00 1.78 -0.02 -1.26 -1.77 135.00 137.02 1c76 n PRO 51 Ca -0.17 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1c76 n PRO 51 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1c76 n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c76 n GLY 52 N 1.41 2.80 3.78 -1.23 0.00 0.14 -4.92 105.19 107.17 1c76 n GLY 52 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1c76 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c76 s THR 53 N -2.30 3.68 -0.23 2.61 2.01 -0.73 -4.71 115.64 115.97 1c76 s THR 53 Ca 0.00 1.30 -0.08 0.00 0.31 0.00 0.00 61.69 63.22 1c76 s THR 53 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1c76 s THR 53 CO 0.00 0.02 0.09 -0.89 -0.69 0.00 0.00 174.62 173.15 1c76 s THR 54 N -1.64 4.66 -0.27 -0.82 2.01 -1.26 -0.44 115.64 117.87 1c76 s THR 54 Ca 0.58 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.43 1c76 s THR 54 Cb -0.23 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1c76 s THR 54 CO 0.28 0.36 0.11 -0.76 -0.69 0.00 0.00 174.62 173.93 1c76 s LEU 55 N 1.26 3.75 0.45 4.42 1.43 -0.18 -4.92 118.68 124.89 1c76 s LEU 55 Ca 0.05 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1c76 s LEU 55 Cb -0.14 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1c76 s LEU 55 CO 0.04 -0.09 0.32 0.42 0.23 0.00 0.00 176.35 177.27 1c76 s THR 56 N 1.63 2.24 0.20 5.49 -4.23 -1.26 -2.02 115.64 117.68 1c76 s THR 56 Ca 0.06 -1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1c76 s THR 56 Cb -0.16 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 71.08 1c76 s THR 56 CO 0.05 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.49 1c76 h LYS 57 N 1.07 0.95 -0.57 3.99 3.64 -1.38 -1.18 116.57 123.09 1c76 h LYS 57 Ca -0.40 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1c76 h LYS 57 Cb 1.27 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1c76 h LYS 57 CO 0.61 0.65 0.04 1.49 -2.27 0.00 0.00 179.45 179.97 1c76 h GLU 58 N 0.97 0.96 -0.57 1.90 4.81 -1.87 0.26 114.58 121.03 1c76 h GLU 58 Ca 0.26 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1c76 h GLU 58 Cb -0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1c76 h GLU 58 CO -0.05 0.93 0.05 0.87 -0.73 0.00 0.00 179.01 180.08 1c76 h LYS 59 N 0.89 0.94 -0.70 1.92 1.57 -1.86 -1.78 116.57 117.55 1c76 h LYS 59 Ca 0.17 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1c76 h LYS 59 Cb 0.47 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1c76 h LYS 59 CO 0.02 0.90 0.15 0.82 -0.57 0.00 0.00 179.45 180.77 1c76 h ILE 60 N 0.88 1.26 -0.27 1.86 2.04 -0.44 0.79 117.51 123.63 1c76 h ILE 60 Ca 0.17 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1c76 h ILE 60 Cb 0.45 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1c76 h ILE 60 CO 0.02 0.38 -0.02 -0.33 0.00 0.00 0.00 178.15 178.20 1c76 h GLU 61 N 1.08 0.41 -0.21 2.37 5.08 -0.25 0.09 114.58 123.15 1c76 h GLU 61 Ca 0.22 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1c76 h GLU 61 Cb 0.40 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1c76 h GLU 61 CO 0.01 0.46 -0.19 1.88 -1.00 0.00 0.00 179.01 180.16 1c76 h TYR 62 N 0.40 0.60 -1.00 4.33 -1.99 -0.37 -1.90 116.97 117.04 1c76 h TYR 62 Ca 0.09 -0.18 0.10 0.00 2.00 0.00 0.00 58.73 60.74 1c76 h TYR 62 Cb 0.30 -0.13 -0.08 0.00 2.00 0.00 0.00 36.73 38.82 1c76 h TYR 62 CO 0.01 0.84 0.64 1.88 -0.00 0.00 0.00 178.16 181.53 1c76 h TYR 63 N 0.19 1.16 -0.31 4.88 0.05 -0.09 0.23 116.97 123.09 1c76 h TYR 63 Ca 0.04 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 1c76 h TYR 63 Cb 0.73 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1c76 h TYR 63 CO 0.08 0.51 -0.26 -0.39 -1.05 0.00 0.00 178.16 177.05 1c76 h VAL 64 N 1.06 1.27 -0.31 -2.88 -1.51 -0.76 0.62 116.25 113.74 1c76 h VAL 64 Ca 0.47 -1.35 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 1c76 h VAL 64 Cb 0.37 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1c76 h VAL 64 CO -0.23 0.44 0.17 -0.33 -1.23 0.00 0.00 177.57 176.39 1c76 h GLU 65 N 0.54 0.43 -0.89 5.19 5.08 -0.40 -1.53 114.58 123.01 1c76 h GLU 65 Ca 0.07 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1c76 h GLU 65 Cb 0.74 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 1c76 h GLU 65 CO 0.06 0.37 0.57 -1.49 -1.00 0.00 0.00 179.01 177.51 1c76 h TRP 66 N 0.38 1.06 -0.04 4.33 -0.00 -0.19 -1.27 115.95 120.23 1c76 h TRP 66 Ca 0.11 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.03 1c76 h TRP 66 Cb 0.06 -0.35 -0.00 0.00 -0.00 0.00 0.00 29.16 28.87 1c76 h TRP 66 CO -0.03 0.59 0.02 0.00 -0.00 0.00 0.00 178.44 179.02 1c76 h ALA 67 N 1.38 1.95 0.00 1.49 0.00 0.08 -2.21 119.26 121.95 1c76 h ALA 67 Ca 0.36 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1c76 h ALA 67 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1c76 h ALA 67 CO -0.13 0.04 -0.32 -0.07 0.00 0.00 0.00 179.25 178.77 1c76 h LEU 68 N 0.06 0.00 -0.56 0.00 3.38 -0.44 -2.92 115.31 114.82 1c76 h LEU 68 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1c76 h LEU 68 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1c76 h LEU 68 CO -0.00 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.31 1c76 n ASP 69 N -3.40 0.38 -1.89 -0.43 8.00 -0.83 -1.50 116.55 116.87 1c76 n ASP 69 Ca 0.00 0.62 -0.11 0.00 0.71 0.00 0.00 54.79 56.01 1c76 n ASP 69 Cb 0.51 -0.69 0.22 0.00 -0.02 0.00 0.00 41.12 41.14 1c76 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c76 n ALA 70 N -1.66 4.56 -3.75 2.24 0.00 -1.10 -4.73 120.51 116.06 1c76 n ALA 70 Ca 0.01 -2.10 -0.11 0.00 0.00 0.00 0.00 53.44 51.24 1c76 n ALA 70 Cb 0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1c76 n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1c76 n THR 71 N -0.37 0.00 0.60 0.00 -2.24 -0.56 -5.04 114.28 106.67 1c76 n THR 71 Ca 0.40 -1.32 0.08 0.00 -2.27 0.00 0.00 64.05 60.94 1c76 n THR 71 Cb 1.32 0.78 0.37 0.00 -2.10 0.00 0.00 70.33 70.70 1c76 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c76 n ALA 72 N -1.39 1.80 -1.20 6.98 0.00 -1.26 -3.01 120.51 122.43 1c76 n ALA 72 Ca -0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1c76 n ALA 72 Cb 0.41 -1.28 0.23 0.00 0.00 0.00 0.00 19.45 18.81 1c76 n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1c76 n TYR 73 N -1.50 2.44 -0.13 0.00 4.01 -1.26 -4.63 117.16 116.10 1c76 n TYR 73 Ca 0.04 -1.55 0.24 0.00 -0.16 0.00 0.00 57.90 56.48 1c76 n TYR 73 Cb 0.20 -0.76 0.68 0.00 -0.31 0.00 0.00 39.34 39.16 1c76 n TYR 73 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1c76 h LYS 74 N 1.61 0.06 -0.26 -0.72 5.09 -1.41 0.20 116.57 121.13 1c76 h LYS 74 Ca 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.15 1c76 h LYS 74 Cb 2.43 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.75 1c76 h LYS 74 CO 0.83 0.04 0.00 0.39 -2.09 0.00 0.00 179.45 178.61 1c76 n GLU 75 N -4.34 1.72 -3.40 0.07 4.71 -1.26 -4.60 120.64 113.54 1c76 n GLU 75 Ca 0.16 -1.11 -0.31 0.00 -0.01 0.00 0.00 57.16 55.89 1c76 n GLU 75 Cb 0.81 -1.30 -0.05 0.00 -1.01 0.00 0.00 31.44 29.89 1c76 n GLU 75 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1c76 s PHE 76 N -1.65 3.44 0.24 -0.32 0.40 0.71 -0.89 117.98 119.91 1c76 s PHE 76 Ca 0.25 0.79 0.12 0.00 -0.60 0.00 0.00 56.93 57.49 1c76 s PHE 76 Cb 0.13 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1c76 s PHE 76 CO 0.19 0.24 -0.21 -0.98 0.70 0.00 0.00 175.22 175.16 1c76 s ARG 77 N -3.03 1.64 0.06 0.44 3.03 0.19 -4.83 118.95 116.45 1c76 s ARG 77 Ca 0.46 -1.64 -0.28 0.00 2.03 0.00 0.00 55.73 56.30 1c76 s ARG 77 Cb -0.11 -1.82 -0.05 0.00 -1.03 0.00 0.00 34.95 31.93 1c76 s ARG 77 CO 0.24 0.36 0.87 0.14 -1.13 0.00 0.00 175.30 175.78 1c76 s VAL 78 N -2.13 4.66 -0.21 4.99 -7.23 -1.26 -1.15 120.40 118.08 1c76 s VAL 78 Ca 0.26 1.86 0.02 0.00 -1.81 0.00 0.00 61.98 62.31 1c76 s VAL 78 Cb -0.06 -4.22 -0.21 0.00 0.56 0.00 0.00 36.38 32.45 1c76 s VAL 78 CO 0.13 0.32 0.01 0.52 -0.31 0.00 0.00 175.10 175.76 1c76 n VAL 79 N 2.96 1.56 -3.64 1.32 0.31 0.23 -4.94 118.33 116.13 1c76 n VAL 79 Ca 0.01 -0.64 -0.06 0.00 -0.01 0.00 0.00 64.34 63.64 1c76 n VAL 79 Cb 0.50 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 1c76 n VAL 79 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1c76 s GLU 80 N -2.53 0.27 0.19 5.55 -1.05 -1.14 -4.99 118.70 115.00 1c76 s GLU 80 Ca -0.27 0.32 -0.05 0.00 -0.15 0.00 0.00 54.97 54.82 1c76 s GLU 80 Cb 0.08 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.84 1c76 s GLU 80 CO 0.68 -0.03 0.44 -0.51 0.95 0.00 0.00 175.26 176.79 1c76 s LEU 81 N 0.11 4.21 -0.05 1.83 1.43 -1.26 0.44 118.68 125.39 1c76 s LEU 81 Ca 0.05 0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 53.50 1c76 s LEU 81 Cb -0.05 -3.41 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 1c76 s LEU 81 CO -0.11 -0.02 1.98 -0.67 0.23 0.00 0.00 176.35 177.76 1c76 n ASP 82 N -0.19 3.77 0.26 2.29 -0.08 -0.75 -4.82 116.55 117.02 1c76 n ASP 82 Ca -0.02 0.83 0.18 0.00 -1.51 0.00 0.00 54.79 54.26 1c76 n ASP 82 Cb 0.52 -1.47 0.88 0.00 2.34 0.00 0.00 41.12 43.39 1c76 n ASP 82 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1c76 h PRO 83 N 10.74 0.00 -0.32 -0.67 0.13 -1.95 -1.89 132.00 138.04 1c76 h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1c76 h PRO 83 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1c76 h PRO 83 CO 0.95 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.59 1c76 n SER 84 N -2.77 2.25 -4.75 1.44 3.41 -1.26 -4.88 113.62 107.06 1c76 n SER 84 Ca -0.01 -1.87 -0.36 0.00 -0.26 0.00 0.00 58.87 56.36 1c76 n SER 84 Cb 0.12 -0.21 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1c76 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c76 s ALA 85 N -1.59 2.49 0.13 7.33 0.00 -0.71 -5.02 121.76 124.38 1c76 s ALA 85 Ca 0.32 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 1c76 s ALA 85 Cb 0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1c76 s ALA 85 CO 0.25 -1.30 0.13 0.15 0.00 0.00 0.00 175.76 174.98 1c76 s LYS 86 N -3.36 0.95 -0.19 0.00 1.02 -1.26 -3.90 119.74 113.00 1c76 s LYS 86 Ca 0.79 -1.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 1c76 s LYS 86 Cb -0.32 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 1c76 s LYS 86 CO 0.35 -0.29 0.12 0.42 -0.92 0.00 0.00 175.35 175.03 1c76 s ILE 87 N -3.99 5.36 0.00 2.17 -1.09 0.35 -4.49 121.20 119.51 1c76 s ILE 87 Ca 0.18 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.81 1c76 s ILE 87 Cb 0.06 -3.43 -0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1c76 s ILE 87 CO -0.01 0.46 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.44 1c76 s GLU 88 N 0.26 0.82 -0.02 2.79 2.02 -0.39 -0.35 118.70 123.82 1c76 s GLU 88 Ca 0.08 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.66 1c76 s GLU 88 Cb -0.11 -0.79 -0.00 0.00 0.10 0.00 0.00 34.13 33.33 1c76 s GLU 88 CO -0.01 0.21 -0.12 0.54 0.02 0.00 0.00 175.26 175.89 1c76 s VAL 89 N -0.39 1.03 -0.01 2.63 0.11 -0.71 -0.53 120.40 122.53 1c76 s VAL 89 Ca 0.03 -0.52 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1c76 s VAL 89 Cb -0.05 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1c76 s VAL 89 CO -0.00 0.30 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.94 1c76 s THR 90 N -0.02 1.92 0.09 5.04 2.01 -1.26 -2.15 115.64 121.28 1c76 s THR 90 Ca -0.00 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 1c76 s THR 90 Cb -0.08 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.88 1c76 s THR 90 CO 0.01 0.49 0.55 -0.72 -0.69 0.00 0.00 174.62 174.26 1c76 s TYR 91 N -0.61 -0.46 -0.40 4.92 1.13 -0.88 -4.84 117.35 116.21 1c76 s TYR 91 Ca 0.10 0.40 -0.24 0.00 -1.41 0.00 0.00 57.07 55.91 1c76 s TYR 91 Cb -0.09 0.43 0.02 0.00 -1.10 0.00 0.00 41.96 41.21 1c76 s TYR 91 CO -0.00 -0.73 0.81 -0.47 -2.51 0.00 0.00 175.55 172.64 1c76 s TYR 92 N -3.05 3.06 -0.04 -3.49 5.04 -1.26 -0.70 117.35 116.91 1c76 s TYR 92 Ca -0.02 0.45 -0.30 0.00 -2.44 0.00 0.00 57.07 54.76 1c76 s TYR 92 Cb -0.00 -3.55 -0.04 0.00 0.35 0.00 0.00 41.96 38.72 1c76 s TYR 92 CO -0.07 -0.85 1.29 0.34 -1.34 0.00 0.00 175.55 174.93 1c76 s ASP 93 N 1.97 6.96 0.04 4.32 -1.08 0.79 -4.91 116.67 124.76 1c76 s ASP 93 Ca 0.32 1.93 -0.23 0.00 -0.52 0.00 0.00 52.55 54.05 1c76 s ASP 93 Cb -0.12 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.62 1c76 s ASP 93 CO 0.20 -0.66 1.51 0.11 0.52 0.00 0.00 175.17 176.85 1c76 h LYS 94 N 7.71 0.08 0.32 4.34 1.79 -1.88 -1.20 116.57 127.73 1c76 h LYS 94 Ca -0.35 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 1c76 h LYS 94 Cb 1.16 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1c76 h LYS 94 CO 0.90 0.30 -0.27 -0.91 -1.08 0.00 0.00 179.45 178.39 1c76 h ASN 95 N -0.15 -0.72 0.68 0.86 -0.26 -1.97 -3.22 115.58 110.79 1c76 h ASN 95 Ca 0.02 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1c76 h ASN 95 Cb 0.26 0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1c76 h ASN 95 CO 0.00 -0.37 -0.11 0.11 -1.06 0.00 0.00 177.43 175.99 1c76 h LYS 96 N -0.58 0.00 -3.78 0.81 1.57 -1.98 -3.46 116.57 109.15 1c76 h LYS 96 Ca -0.04 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 1c76 h LYS 96 Cb 0.49 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.87 1c76 h LYS 96 CO -0.00 0.11 -0.44 1.63 -0.57 0.00 0.00 179.45 180.18 1c76 n LYS 97 N -3.37 -4.46 -4.50 3.15 5.02 -0.46 -5.01 118.16 108.54 1c76 n LYS 97 Ca -0.01 0.60 -0.22 0.00 -2.02 0.00 0.00 58.31 56.66 1c76 n LYS 97 Cb 0.30 -4.85 -0.14 0.00 -0.02 0.00 0.00 35.03 30.32 1c76 n LYS 97 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1c76 s LYS 98 N -5.63 1.09 0.06 1.97 1.02 -1.18 -4.97 119.74 112.10 1c76 s LYS 98 Ca 0.31 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 1c76 s LYS 98 Cb -0.14 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 1c76 s LYS 98 CO 0.38 0.28 0.83 -2.00 -0.92 0.00 0.00 175.35 173.93 1c76 s GLU 99 N -0.92 4.56 0.10 1.68 2.12 -1.26 -0.15 118.70 124.82 1c76 s GLU 99 Ca 0.04 1.19 0.10 0.00 0.36 0.00 0.00 54.97 56.66 1c76 s GLU 99 Cb -0.07 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1c76 s GLU 99 CO 0.01 0.24 -0.25 -2.00 -0.54 0.00 0.00 175.26 172.71 1c76 s GLU 100 N 0.05 1.43 -0.03 4.30 2.12 0.13 -4.92 118.70 121.78 1c76 s GLU 100 Ca 0.42 -1.23 0.01 0.00 0.36 0.00 0.00 54.97 54.53 1c76 s GLU 100 Cb -0.21 -1.79 0.02 0.00 0.26 0.00 0.00 34.13 32.41 1c76 s GLU 100 CO 0.25 0.43 -0.03 0.99 -0.54 0.00 0.00 175.26 176.36 1c76 s THR 101 N -1.00 0.40 -0.05 -1.70 2.01 -1.26 -2.07 115.64 111.98 1c76 s THR 101 Ca 0.12 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1c76 s THR 101 Cb -0.10 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1c76 s THR 101 CO 0.04 0.17 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.36 1c76 s LYS 102 N 0.65 2.35 -0.03 4.92 1.02 -0.92 -5.01 119.74 122.72 1c76 s LYS 102 Ca -0.08 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.09 1c76 s LYS 102 Cb -0.11 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1c76 s LYS 102 CO -0.00 0.41 -0.19 -1.54 -0.92 0.00 0.00 175.35 173.11 1c76 s SER 103 N -0.25 2.31 -0.06 2.83 1.04 -1.26 -1.74 113.70 116.58 1c76 s SER 103 Ca -0.00 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1c76 s SER 103 Cb -0.13 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.49 1c76 s SER 103 CO 0.02 0.20 -0.23 -0.36 0.98 0.00 0.00 173.24 173.85 1c76 s PHE 104 N -0.17 2.28 0.53 5.02 0.08 0.53 -4.97 117.98 121.28 1c76 s PHE 104 Ca 0.01 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.23 1c76 s PHE 104 Cb -0.10 -1.51 -0.06 0.00 -0.57 0.00 0.00 43.02 40.78 1c76 s PHE 104 CO 0.01 -0.23 0.94 -1.25 -0.10 0.00 0.00 175.22 174.59 1c76 s PRO 105 N -0.06 3.74 -0.57 0.24 0.04 -1.26 -0.49 135.00 136.63 1c76 s PRO 105 Ca -0.05 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 1c76 s PRO 105 Cb -0.14 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.35 1c76 s PRO 105 CO 0.04 -0.33 0.52 0.42 0.04 0.00 0.00 177.00 177.69 1c76 s ILE 106 N -2.80 5.20 0.42 0.56 1.01 -1.25 -4.77 121.20 119.56 1c76 s ILE 106 Ca 0.55 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.63 1c76 s ILE 106 Cb -0.10 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 1c76 s ILE 106 CO 0.41 -0.88 0.02 0.42 0.00 0.00 0.00 174.94 174.91 1c76 s THR 107 N 1.43 1.66 0.14 2.92 -4.23 -1.26 -4.80 115.64 111.50 1c76 s THR 107 Ca 0.05 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 1c76 s THR 107 Cb -0.28 -2.77 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 1c76 s THR 107 CO 0.02 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.48 1c76 h GLU 108 N 1.72 0.57 0.00 3.99 5.08 -1.96 -0.86 114.58 123.12 1c76 h GLU 108 Ca -0.43 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1c76 h GLU 108 Cb 1.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1c76 h GLU 108 CO 0.77 0.50 0.00 -0.22 -1.00 0.00 0.00 179.01 179.06 1c76 h LYS 109 N 0.49 0.00 0.00 2.33 3.11 -1.97 -3.39 116.57 117.15 1c76 h LYS 109 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1c76 h LYS 109 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1c76 h LYS 109 CO -0.02 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.03 1c76 n GLY 110 N 0.46 -1.27 3.22 5.01 0.00 -0.74 -4.80 105.19 107.07 1c76 n GLY 110 Ca 0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1c76 n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c76 s PHE 111 N 0.00 1.13 -0.17 1.61 -0.71 -0.86 -4.91 117.98 114.07 1c76 s PHE 111 Ca 0.00 -0.89 -0.17 0.00 -1.04 0.00 0.00 56.93 54.83 1c76 s PHE 111 Cb 0.00 -0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 1c76 s PHE 111 CO 0.00 -0.09 0.44 0.08 -1.34 0.00 0.00 175.22 174.32 1c76 s VAL 112 N -3.53 5.18 0.03 -2.49 1.01 -1.26 -1.01 120.40 118.33 1c76 s VAL 112 Ca 0.18 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 1c76 s VAL 112 Cb 0.05 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1c76 s VAL 112 CO -0.00 0.27 1.87 -0.69 0.00 0.00 0.00 175.10 176.55 1c76 s VAL 113 N 1.11 3.10 0.79 2.92 1.01 0.42 -4.81 120.40 124.93 1c76 s VAL 113 Ca 0.22 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1c76 s VAL 113 Cb -0.15 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1c76 s VAL 113 CO 0.09 -0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.11 1c76 s PRO 114 N 4.10 2.18 -0.30 2.72 0.04 -1.26 0.28 135.00 142.77 1c76 s PRO 114 Ca 0.84 0.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.38 1c76 s PRO 114 Cb -0.41 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1c76 s PRO 114 CO 0.38 -1.53 0.06 0.34 0.04 0.00 0.00 177.00 176.28 1c76 s ASP 115 N -4.03 5.03 -0.06 6.66 3.68 -1.26 -4.54 116.67 122.16 1c76 s ASP 115 Ca 0.60 -0.85 0.13 0.00 2.13 0.00 0.00 52.55 54.57 1c76 s ASP 115 Cb -0.14 -1.84 0.42 0.00 -1.45 0.00 0.00 42.92 39.91 1c76 s ASP 115 CO 0.53 -0.21 1.34 0.18 0.13 0.00 0.00 175.17 177.15 1c76 n LEU 116 N 4.81 3.38 0.32 -1.34 4.77 -1.26 -4.68 117.00 123.01 1c76 n LEU 116 Ca -0.14 -2.30 0.17 0.00 -0.03 0.00 0.00 56.01 53.70 1c76 n LEU 116 Cb 0.47 -0.35 0.89 0.00 -2.33 0.00 0.00 43.42 42.10 1c76 n LEU 116 CO 0.31 0.74 1.12 0.77 -1.33 0.00 0.00 177.39 178.99 1c76 h SER 117 N 2.25 0.00 0.07 -1.43 4.64 -1.86 0.49 113.55 117.71 1c76 h SER 117 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1c76 h SER 117 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1c76 h SER 117 CO 0.08 0.00 -0.15 -0.08 -0.87 0.00 0.00 176.83 175.80 1c76 h GLU 118 N 0.00 0.19 0.00 4.77 4.81 -2.00 -3.21 114.58 119.14 1c76 h GLU 118 Ca 0.00 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1c76 h GLU 118 Cb 0.47 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1c76 h GLU 118 CO 0.00 0.35 -1.81 0.72 -0.73 0.00 0.00 179.01 177.54 1c76 n HIS 119 N -4.27 0.00 -3.65 0.92 8.25 0.14 -4.96 115.22 111.66 1c76 n HIS 119 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1c76 n HIS 119 Cb 0.27 -0.57 -0.08 0.00 1.12 0.00 0.00 29.99 30.74 1c76 n HIS 119 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1c76 s ILE 120 N -2.34 -0.00 0.12 1.59 2.07 0.62 -4.84 121.20 118.41 1c76 s ILE 120 Ca -0.06 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.08 1c76 s ILE 120 Cb 0.04 -0.94 -0.12 0.00 0.13 0.00 0.00 42.46 41.56 1c76 s ILE 120 CO 0.50 0.00 1.36 0.11 -1.91 0.00 0.00 174.94 175.00 1c76 h LYS 121 N 6.70 0.78 -2.16 3.50 1.57 -1.82 -2.98 116.57 122.15 1c76 h LYS 121 Ca -0.31 -0.58 -0.58 0.00 -1.87 0.00 0.00 60.65 57.31 1c76 h LYS 121 Cb 1.21 0.10 -0.41 0.00 0.08 0.00 0.00 32.23 33.21 1c76 h LYS 121 CO 0.16 1.20 -0.75 0.27 -0.57 0.00 0.00 179.45 179.76 1c76 n ASN 122 N -3.95 3.01 -4.76 0.86 6.94 -1.26 -3.77 115.26 112.33 1c76 n ASN 122 Ca -0.06 -3.32 -0.39 0.00 -0.02 0.00 0.00 54.58 50.79 1c76 n ASN 122 Cb 0.70 -0.64 0.01 0.00 -2.36 0.00 0.00 39.78 37.49 1c76 n ASN 122 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1c76 s PRO 123 N -2.45 3.72 -0.33 -0.53 0.04 -1.26 -4.76 135.00 129.44 1c76 s PRO 123 Ca 0.41 2.14 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 1c76 s PRO 123 Cb 0.20 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 1c76 s PRO 123 CO -0.06 -0.69 0.18 0.20 0.04 0.00 0.00 177.00 176.67 1c76 s GLY 124 N -0.86 1.90 -0.46 0.56 0.00 -1.26 -1.42 107.32 105.77 1c76 s GLY 124 Ca 0.62 -1.43 -0.23 0.00 0.00 0.00 0.00 44.72 43.67 1c76 s GLY 124 CO 0.47 0.74 0.81 -1.36 0.00 0.00 0.00 173.10 173.76 1c76 s PHE 125 N 1.63 2.96 -0.01 1.90 0.40 0.16 -4.49 117.98 120.54 1c76 s PHE 125 Ca 0.05 0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 56.32 1c76 s PHE 125 Cb -0.17 -3.74 -0.05 0.00 0.51 0.00 0.00 43.02 39.57 1c76 s PHE 125 CO 0.07 -1.04 0.56 -0.80 0.70 0.00 0.00 175.22 174.71 1c76 s ASN 126 N 2.25 6.93 -0.29 1.36 0.01 0.31 0.29 114.94 125.80 1c76 s ASN 126 Ca 0.30 1.11 0.03 0.00 -0.71 0.00 0.00 52.86 53.59 1c76 s ASN 126 Cb -0.12 -2.34 0.08 0.00 0.41 0.00 0.00 41.25 39.27 1c76 s ASN 126 CO 0.22 0.12 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.70 1c76 s LEU 127 N -0.24 3.67 -0.29 0.60 2.96 0.56 -1.26 118.68 124.67 1c76 s LEU 127 Ca 0.30 -1.67 -0.02 0.00 -0.22 0.00 0.00 54.13 52.52 1c76 s LEU 127 Cb -0.18 -1.44 0.05 0.00 0.50 0.00 0.00 46.19 45.12 1c76 s LEU 127 CO 0.16 -0.29 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.26 1c76 s ILE 128 N 1.13 2.98 0.24 6.68 1.01 -1.26 -0.67 121.20 131.30 1c76 s ILE 128 Ca 0.01 -1.34 -0.21 0.00 0.00 0.00 0.00 60.65 59.11 1c76 s ILE 128 Cb -0.19 -2.69 0.06 0.00 0.01 0.00 0.00 42.46 39.65 1c76 s ILE 128 CO -0.08 -0.07 0.91 0.28 0.00 0.00 0.00 174.94 175.98 1c76 s THR 129 N 1.26 0.00 0.06 2.92 -1.32 -0.91 -4.84 115.64 112.80 1c76 s THR 129 Ca -0.05 -0.77 0.01 0.00 -1.21 0.00 0.00 61.69 59.67 1c76 s THR 129 Cb -0.19 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 1c76 s THR 129 CO -0.01 0.00 0.15 -0.54 -2.21 0.00 0.00 174.62 172.00 1c76 s LYS 130 N -2.81 3.20 -0.01 7.08 1.02 -1.26 -0.77 119.74 126.20 1c76 s LYS 130 Ca 0.16 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 1c76 s LYS 130 Cb -0.03 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1c76 s LYS 130 CO 0.06 0.60 0.02 0.14 -0.92 0.00 0.00 175.35 175.25 1c76 s VAL 131 N -1.42 0.00 -0.03 3.17 -7.23 -0.44 -1.81 120.40 112.64 1c76 s VAL 131 Ca 0.31 -0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.25 1c76 s VAL 131 Cb -0.13 -0.03 -0.04 0.00 0.56 0.00 0.00 36.38 36.74 1c76 s VAL 131 CO 0.24 -0.00 0.70 -0.69 -0.31 0.00 0.00 175.10 175.03 1c76 s VAL 132 N 0.00 4.95 0.14 1.32 1.01 0.17 -1.27 120.40 126.72 1c76 s VAL 132 Ca -0.00 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.48 1c76 s VAL 132 Cb -0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1c76 s VAL 132 CO 0.00 0.31 -0.12 0.27 0.00 0.00 0.00 175.10 175.55 1c76 s ILE 133 N 0.43 1.27 0.01 2.22 -4.36 -0.70 -0.60 121.20 119.47 1c76 s ILE 133 Ca 0.37 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.73 1c76 s ILE 133 Cb -0.18 -1.68 0.02 0.00 1.25 0.00 0.00 42.46 41.87 1c76 s ILE 133 CO 0.19 -0.57 0.29 -0.70 0.24 0.00 0.00 174.94 174.38 1c76 s GLU 134 N -3.18 0.71 0.21 0.37 2.12 -0.30 -4.65 118.70 113.98 1c76 s GLU 134 Ca 0.13 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.79 1c76 s GLU 134 Cb -0.02 0.31 -0.10 0.00 0.26 0.00 0.00 34.13 34.58 1c76 s GLU 134 CO 0.02 -0.21 1.51 0.21 -0.54 0.00 0.00 175.26 176.26 1c76 s LYS 135 N -1.90 4.23 0.00 4.30 2.36 -1.26 0.54 119.74 128.00 1c76 s LYS 135 Ca -0.10 2.35 0.00 0.00 -2.55 0.00 0.00 55.97 55.67 1c76 s LYS 135 Cb -0.03 -3.13 0.00 0.00 -1.05 0.00 0.00 37.83 33.62 1c76 s LYS 135 CO 0.01 -0.53 0.44 1.63 1.55 0.00 0.00 175.35 178.44