#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c78 n LYS 8 N 0.00 0.51 -2.91 1.61 4.01 -1.26 -4.60 118.16 115.52 1c78 n LYS 8 Ca 0.00 -0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 57.76 1c78 n LYS 8 Cb 0.00 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.88 1c78 n LYS 8 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1c78 s TYR 9 N -3.35 -1.55 -0.74 2.13 6.04 -1.26 -5.12 117.35 113.50 1c78 s TYR 9 Ca -0.01 -0.25 -0.26 0.00 0.04 0.00 0.00 57.07 56.58 1c78 s TYR 9 Cb 0.13 0.30 0.01 0.00 -1.04 0.00 0.00 41.96 41.36 1c78 s TYR 9 CO 0.83 -1.16 1.51 0.15 -1.54 0.00 0.00 175.55 175.34 1c78 s LYS 10 N 1.24 3.03 -0.21 4.97 -0.14 -1.26 -4.96 119.74 122.41 1c78 s LYS 10 Ca 0.25 -0.09 -0.28 0.00 -1.36 0.00 0.00 55.97 54.49 1c78 s LYS 10 Cb -0.01 -4.42 -0.05 0.00 -1.68 0.00 0.00 37.83 31.68 1c78 s LYS 10 CO -0.06 -2.40 2.15 0.21 -0.76 0.00 0.00 175.35 174.49 1c78 s LYS 11 N 6.12 3.24 0.00 1.68 2.36 -1.26 -4.37 119.74 127.51 1c78 s LYS 11 Ca 0.48 2.02 0.00 0.00 -2.55 0.00 0.00 55.97 55.92 1c78 s LYS 11 Cb -0.08 -4.34 0.00 0.00 -1.05 0.00 0.00 37.83 32.36 1c78 s LYS 11 CO 0.13 -1.98 0.00 0.41 1.55 0.00 0.00 175.35 175.46 1c78 n GLY 12 N 5.62 0.79 0.19 5.54 0.00 -1.26 -5.03 105.19 111.03 1c78 n GLY 12 Ca 0.28 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1c78 n GLY 12 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c78 h ASP 13 N 0.00 -0.52 0.00 1.61 3.32 -1.99 -3.40 116.42 115.44 1c78 h ASP 13 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1c78 h ASP 13 Cb 0.00 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1c78 h ASP 13 CO 0.00 -0.25 -0.80 -0.90 -1.72 0.00 0.00 179.24 175.57 1c78 n ASP 14 N -3.47 3.98 0.00 6.45 5.75 -1.26 -5.11 116.55 122.89 1c78 n ASP 14 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1c78 n ASP 14 Cb 0.17 0.78 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 1c78 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c78 n ALA 15 N -1.22 -0.66 -1.46 2.12 0.00 -1.26 -4.56 120.51 113.47 1c78 n ALA 15 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1c78 n ALA 15 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 1c78 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1c78 n SER 16 N 0.00 -0.38 0.04 0.00 2.88 -1.26 -4.88 113.62 110.02 1c78 n SER 16 Ca 0.00 1.14 -0.07 0.00 -1.33 0.00 0.00 58.87 58.62 1c78 n SER 16 Cb 0.00 -1.03 -0.12 0.00 -0.75 0.00 0.00 64.21 62.31 1c78 n SER 16 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1c78 h TYR 17 N 1.68 0.00 -1.93 0.66 3.20 -2.03 -3.46 116.97 115.08 1c78 h TYR 17 Ca -0.35 0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.06 1c78 h TYR 17 Cb 1.41 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 1c78 h TYR 17 CO 0.46 0.95 -0.40 -0.06 -1.64 0.00 0.00 178.16 177.48 1c78 s PHE 18 N -2.70 3.15 0.70 -3.82 0.08 -1.26 -5.07 117.98 109.06 1c78 s PHE 18 Ca -0.01 -0.18 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 1c78 s PHE 18 Cb 0.09 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1c78 s PHE 18 CO 0.82 0.18 1.24 -1.83 -0.10 0.00 0.00 175.22 175.52 1c78 s GLU 19 N -4.07 2.29 0.48 0.44 -1.05 -1.26 -4.91 118.70 110.62 1c78 s GLU 19 Ca 0.41 1.87 -0.24 0.00 -0.15 0.00 0.00 54.97 56.85 1c78 s GLU 19 Cb -0.09 -1.84 -0.07 0.00 -0.44 0.00 0.00 34.13 31.69 1c78 s GLU 19 CO 0.29 -1.74 1.41 -2.30 0.95 0.00 0.00 175.26 173.87 1c78 n PRO 20 N -2.41 2.09 0.00 -4.83 -0.02 -1.26 -4.96 135.00 123.61 1c78 n PRO 20 Ca 0.14 0.75 0.13 0.00 -2.02 0.00 0.00 63.50 62.50 1c78 n PRO 20 Cb 0.49 -2.62 0.31 0.00 -0.02 0.00 0.00 33.50 31.66 1c78 n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1c78 n THR 21 N -0.47 0.00 -4.05 3.45 -2.24 -1.26 -4.79 114.28 104.93 1c78 n THR 21 Ca 0.07 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1c78 n THR 21 Cb 0.42 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1c78 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1c78 s GLY 22 N -2.34 1.36 0.37 3.38 0.00 -1.26 -4.64 107.32 104.20 1c78 s GLY 22 Ca 0.27 -1.43 -0.27 0.00 0.00 0.00 0.00 44.72 43.29 1c78 s GLY 22 CO 0.47 -0.91 1.16 -1.55 0.00 0.00 0.00 173.10 172.27 1c78 n PRO 23 N -0.57 1.74 -3.96 2.90 -0.04 -1.23 -4.56 135.00 129.29 1c78 n PRO 23 Ca -0.00 0.62 -0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1c78 n PRO 23 Cb 0.61 -2.17 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 1c78 n PRO 23 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1c78 s TYR 24 N -1.15 0.29 -0.17 0.54 1.13 -0.81 -2.23 117.35 114.95 1c78 s TYR 24 Ca 0.59 -0.71 -0.06 0.00 -1.41 0.00 0.00 57.07 55.48 1c78 s TYR 24 Cb -0.58 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.05 1c78 s TYR 24 CO 0.60 -0.43 0.01 -1.17 -2.51 0.00 0.00 175.55 172.05 1c78 s LEU 25 N -2.62 3.53 -0.24 -3.49 2.96 0.22 -0.95 118.68 118.09 1c78 s LEU 25 Ca 0.02 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1c78 s LEU 25 Cb 0.04 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1c78 s LEU 25 CO -0.08 0.17 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.78 1c78 s MET 26 N 0.39 3.33 -0.20 1.98 -2.45 0.14 -1.42 119.30 121.05 1c78 s MET 26 Ca -0.00 -0.67 -0.09 0.00 -1.25 0.00 0.00 55.69 53.68 1c78 s MET 26 Cb -0.13 -3.09 -0.04 0.00 1.25 0.00 0.00 34.83 32.81 1c78 s MET 26 CO 0.02 -0.25 0.10 0.08 1.05 0.00 0.00 175.02 176.02 1c78 s VAL 27 N 1.48 5.02 -0.44 10.11 1.01 -0.63 -0.12 120.40 136.84 1c78 s VAL 27 Ca 0.05 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1c78 s VAL 27 Cb -0.15 -3.29 0.22 0.00 0.00 0.00 0.00 36.38 33.16 1c78 s VAL 27 CO -0.02 0.42 0.49 0.59 0.00 0.00 0.00 175.10 176.58 1c78 n ASN 28 N 3.78 0.48 -4.95 3.32 5.03 0.14 -3.31 115.26 119.74 1c78 n ASN 28 Ca -0.16 -2.70 -0.24 0.00 0.87 0.00 0.00 54.58 52.35 1c78 n ASN 28 Cb 0.52 -0.62 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 1c78 n ASN 28 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1c78 s VAL 29 N -0.95 5.30 -0.18 2.41 -7.23 -1.26 -3.61 120.40 114.88 1c78 s VAL 29 Ca 0.34 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 1c78 s VAL 29 Cb 0.12 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.27 1c78 s VAL 29 CO -0.13 -0.19 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.46 1c78 s THR 30 N -1.84 2.85 -0.11 5.32 2.01 -0.00 -2.90 115.64 120.97 1c78 s THR 30 Ca 0.34 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1c78 s THR 30 Cb -0.10 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1c78 s THR 30 CO 0.29 0.49 0.55 -0.83 -0.69 0.00 0.00 174.62 174.43 1c78 s GLY 31 N 1.07 2.45 0.21 4.40 0.00 -0.77 -1.56 107.32 113.11 1c78 s GLY 31 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.68 1c78 s GLY 31 CO -0.03 0.93 -0.08 -1.34 0.00 0.00 0.00 173.10 172.58 1c78 s VAL 32 N 0.75 1.35 0.49 1.40 -7.23 -0.17 0.50 120.40 117.49 1c78 s VAL 32 Ca 0.30 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1c78 s VAL 32 Cb -0.16 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.74 1c78 s VAL 32 CO 0.13 -0.52 0.67 -0.90 -0.31 0.00 0.00 175.10 174.17 1c78 n ASP 33 N -0.37 1.14 0.45 4.85 5.68 -0.68 -2.04 116.55 125.58 1c78 n ASP 33 Ca -0.07 -1.91 -0.19 0.00 -0.50 0.00 0.00 54.79 52.12 1c78 n ASP 33 Cb 0.62 -0.41 -0.09 0.00 -1.14 0.00 0.00 41.12 40.10 1c78 n ASP 33 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1c78 h GLY 34 N -0.26 -1.19 -0.57 6.12 0.00 -1.90 -3.09 103.07 102.18 1c78 h GLY 34 Ca -0.22 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1c78 h GLY 34 CO 0.26 -0.43 0.00 0.28 0.00 0.00 0.00 176.54 176.65 1c78 n LYS 35 N -5.56 0.00 -2.85 4.80 5.02 -1.26 -4.72 118.16 113.59 1c78 n LYS 35 Ca -0.15 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.03 1c78 n LYS 35 Cb 0.46 -0.98 0.06 0.00 -0.02 0.00 0.00 35.03 34.55 1c78 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c78 n GLY 36 N 0.06 -0.22 3.23 0.72 0.00 -1.17 -5.05 105.19 102.78 1c78 n GLY 36 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1c78 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c78 s ASN 37 N -3.69 2.77 -0.19 1.61 0.01 -1.26 -4.96 114.94 109.23 1c78 s ASN 37 Ca 0.10 -0.45 -0.29 0.00 -0.71 0.00 0.00 52.86 51.51 1c78 s ASN 37 Cb -0.01 -0.67 0.00 0.00 0.41 0.00 0.00 41.25 40.98 1c78 s ASN 37 CO 0.49 0.23 1.05 -0.70 -1.51 0.00 0.00 177.10 176.65 1c78 s GLU 38 N -0.20 4.30 -0.13 -0.60 2.12 -1.26 -1.69 118.70 121.25 1c78 s GLU 38 Ca -0.01 1.39 0.18 0.00 0.36 0.00 0.00 54.97 56.89 1c78 s GLU 38 Cb -0.12 -3.62 -0.26 0.00 0.26 0.00 0.00 34.13 30.39 1c78 s GLU 38 CO 0.02 -0.55 0.20 1.28 -0.54 0.00 0.00 175.26 175.67 1c78 n LEU 39 N 5.96 0.00 -3.73 2.70 4.77 0.18 -4.98 117.00 121.91 1c78 n LEU 39 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1c78 n LEU 39 Cb 0.47 0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 41.72 1c78 n LEU 39 CO 0.52 0.29 -0.08 -0.22 -1.33 0.00 0.00 177.39 176.58 1c78 s LEU 40 N -5.00 0.35 0.40 2.23 2.96 -1.00 -4.97 118.68 113.65 1c78 s LEU 40 Ca -0.08 0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 54.32 1c78 s LEU 40 Cb 0.08 0.89 -0.07 0.00 0.50 0.00 0.00 46.19 47.59 1c78 s LEU 40 CO 0.78 -0.17 0.78 -0.94 -1.32 0.00 0.00 176.35 175.48 1c78 s SER 41 N 1.19 6.55 0.08 3.68 1.04 -1.26 -1.85 113.70 123.13 1c78 s SER 41 Ca -0.09 1.17 -0.34 0.00 0.48 0.00 0.00 55.95 57.18 1c78 s SER 41 Cb -0.09 -2.34 -0.13 0.00 0.10 0.00 0.00 66.02 63.56 1c78 s SER 41 CO -0.09 -0.39 1.70 -0.81 0.98 0.00 0.00 173.24 174.63 1c78 n PRO 42 N -1.20 2.22 -4.29 4.02 -0.04 -1.14 -4.87 135.00 129.70 1c78 n PRO 42 Ca 0.03 0.81 -0.30 0.00 -0.04 0.00 0.00 63.50 63.99 1c78 n PRO 42 Cb 0.54 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.29 1c78 n PRO 42 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1c78 s HIS 43 N 2.06 2.79 -0.20 0.54 3.76 -1.26 -4.96 115.29 118.02 1c78 s HIS 43 Ca 0.83 -0.12 -0.21 0.00 -0.15 0.00 0.00 55.06 55.42 1c78 s HIS 43 Cb -0.66 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 1c78 s HIS 43 CO 0.42 0.41 0.62 -0.47 -0.85 0.00 0.00 174.74 174.88 1c78 s TYR 44 N -1.17 3.37 -0.01 1.40 6.14 -1.26 -4.52 117.35 121.30 1c78 s TYR 44 Ca 0.21 0.91 0.01 0.00 0.64 0.00 0.00 57.07 58.84 1c78 s TYR 44 Cb -0.11 -2.80 0.00 0.00 0.42 0.00 0.00 41.96 39.48 1c78 s TYR 44 CO 0.13 -0.18 -0.05 0.08 0.64 0.00 0.00 175.55 176.17 1c78 s VAL 45 N 1.94 0.41 0.04 3.14 1.01 -1.21 -5.01 120.40 120.72 1c78 s VAL 45 Ca 0.28 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1c78 s VAL 45 Cb -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1c78 s VAL 45 CO 0.10 0.14 -0.18 -1.61 0.00 0.00 0.00 175.10 173.55 1c78 s GLU 46 N 0.20 2.08 -0.03 2.72 2.02 -1.26 -1.61 118.70 122.82 1c78 s GLU 46 Ca -0.02 -0.97 -0.00 0.00 0.02 0.00 0.00 54.97 54.00 1c78 s GLU 46 Cb -0.06 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 32.02 1c78 s GLU 46 CO -0.00 0.54 0.02 -0.06 0.02 0.00 0.00 175.26 175.78 1c78 s PHE 47 N -0.90 0.21 0.48 1.61 0.08 -0.51 -4.96 117.98 113.99 1c78 s PHE 47 Ca 0.14 0.07 -0.21 0.00 0.12 0.00 0.00 56.93 57.05 1c78 s PHE 47 Cb -0.10 -0.39 -0.08 0.00 -0.57 0.00 0.00 43.02 41.87 1c78 s PHE 47 CO 0.05 -0.14 1.08 -1.25 -0.10 0.00 0.00 175.22 174.86 1c78 s PRO 48 N 1.27 3.76 0.11 0.24 0.04 -1.26 0.69 135.00 139.85 1c78 s PRO 48 Ca -0.06 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1c78 s PRO 48 Cb -0.13 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1c78 s PRO 48 CO -0.03 -0.49 0.08 0.96 0.04 0.00 0.00 177.00 177.56 1c78 s ILE 49 N -1.79 0.13 -0.02 0.56 -4.36 -0.95 -4.78 121.20 109.99 1c78 s ILE 49 Ca 0.66 -1.76 0.08 0.00 -0.26 0.00 0.00 60.65 59.37 1c78 s ILE 49 Cb -0.21 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 1c78 s ILE 49 CO 0.26 -0.58 -0.26 -0.75 0.24 0.00 0.00 174.94 173.85 1c78 s LYS 50 N -3.99 2.11 0.38 0.37 2.20 -1.26 -4.36 119.74 115.19 1c78 s LYS 50 Ca 0.18 -0.93 -0.25 0.00 -0.36 0.00 0.00 55.97 54.60 1c78 s LYS 50 Cb 0.07 -2.05 -0.09 0.00 -1.51 0.00 0.00 37.83 34.25 1c78 s LYS 50 CO -0.02 0.56 1.10 -1.25 -0.36 0.00 0.00 175.35 175.38 1c78 s PRO 51 N -0.65 4.20 0.00 4.03 0.04 -1.26 -2.36 135.00 139.00 1c78 s PRO 51 Ca 0.10 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1c78 s PRO 51 Cb -0.10 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1c78 s PRO 51 CO -0.01 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1c78 n GLY 52 N 0.61 2.91 3.81 0.56 0.00 -0.78 -4.97 105.19 107.34 1c78 n GLY 52 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1c78 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c78 s THR 53 N -2.62 4.05 -0.19 2.61 2.01 -0.99 -4.78 115.64 115.72 1c78 s THR 53 Ca 0.00 1.17 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 1c78 s THR 53 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1c78 s THR 53 CO 0.00 -0.38 0.01 -0.89 -0.69 0.00 0.00 174.62 172.67 1c78 s THR 54 N -2.22 4.12 -0.33 -0.82 2.01 -1.26 -0.93 115.64 116.20 1c78 s THR 54 Ca 0.64 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 1c78 s THR 54 Cb -0.14 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1c78 s THR 54 CO 0.23 0.44 0.12 -0.76 -0.69 0.00 0.00 174.62 173.96 1c78 s LEU 55 N 0.83 4.25 0.53 4.42 1.43 -0.56 -4.95 118.68 124.62 1c78 s LEU 55 Ca 0.01 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 1c78 s LEU 55 Cb -0.14 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.22 1c78 s LEU 55 CO 0.02 -0.29 0.73 0.42 0.23 0.00 0.00 176.35 177.46 1c78 s THR 56 N 1.48 2.58 0.23 5.49 -4.23 -1.26 -3.13 115.64 116.79 1c78 s THR 56 Ca 0.01 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1c78 s THR 56 Cb -0.19 -2.71 0.21 0.00 1.34 0.00 0.00 72.50 71.16 1c78 s THR 56 CO 0.04 0.00 1.88 0.50 -0.54 0.00 0.00 174.62 176.49 1c78 h LYS 57 N 0.24 1.22 -0.65 3.99 3.64 -1.36 0.27 116.57 123.92 1c78 h LYS 57 Ca -0.37 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1c78 h LYS 57 Cb 1.28 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1c78 h LYS 57 CO 0.45 0.86 0.20 0.93 -2.27 0.00 0.00 179.45 179.62 1c78 h GLU 58 N 1.24 1.00 -0.20 1.90 5.08 -1.89 0.22 114.58 121.93 1c78 h GLU 58 Ca 0.32 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 1c78 h GLU 58 Cb -0.05 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1c78 h GLU 58 CO -0.06 0.86 -0.60 0.87 -1.00 0.00 0.00 179.01 179.08 1c78 h LYS 59 N 0.96 0.65 -0.68 2.33 1.57 -1.87 -2.14 116.57 117.40 1c78 h LYS 59 Ca 0.21 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1c78 h LYS 59 Cb 0.27 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1c78 h LYS 59 CO -0.01 1.06 0.27 0.82 -0.57 0.00 0.00 179.45 181.02 1c78 h ILE 60 N 0.49 1.24 -0.57 1.86 1.08 -0.10 0.32 117.51 121.83 1c78 h ILE 60 Ca -0.00 -0.75 0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1c78 h ILE 60 Cb 1.17 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 1c78 h ILE 60 CO 0.12 0.30 0.31 -0.33 -0.69 0.00 0.00 178.15 177.86 1c78 h GLU 61 N 0.96 0.59 -0.48 2.37 5.08 -0.48 -0.85 114.58 121.76 1c78 h GLU 61 Ca 0.23 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1c78 h GLU 61 Cb 0.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1c78 h GLU 61 CO -0.02 0.39 -0.07 1.88 -1.00 0.00 0.00 179.01 180.19 1c78 h TYR 62 N 0.61 0.93 -0.78 4.33 -1.99 -0.97 -2.18 116.97 116.91 1c78 h TYR 62 Ca 0.24 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.77 1c78 h TYR 62 Cb 0.11 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 1c78 h TYR 62 CO -0.08 0.88 0.31 1.88 -0.00 0.00 0.00 178.16 181.15 1c78 h TYR 63 N 0.77 1.18 -0.42 4.88 -1.99 0.13 -0.71 116.97 120.82 1c78 h TYR 63 Ca 0.13 -0.09 -0.12 0.00 2.00 0.00 0.00 58.73 60.65 1c78 h TYR 63 Cb 0.57 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1c78 h TYR 63 CO 0.03 0.90 -0.23 -0.39 -0.00 0.00 0.00 178.16 178.47 1c78 h VAL 64 N 1.13 1.27 -0.95 -2.88 -1.51 -1.06 0.54 116.25 112.78 1c78 h VAL 64 Ca 0.26 -1.37 0.01 0.00 -1.23 0.00 0.00 66.70 64.36 1c78 h VAL 64 Cb 0.22 1.19 -0.05 0.00 -2.13 0.00 0.00 31.29 30.52 1c78 h VAL 64 CO -0.02 0.46 0.62 -0.08 -1.23 0.00 0.00 177.57 177.32 1c78 h GLU 65 N 0.75 1.26 0.00 5.19 4.81 -1.14 -0.38 114.58 125.06 1c78 h GLU 65 Ca 0.10 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1c78 h GLU 65 Cb 0.78 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1c78 h GLU 65 CO 0.06 0.84 -0.40 -1.49 -0.73 0.00 0.00 179.01 177.30 1c78 h TRP 66 N 1.29 0.00 0.00 0.92 6.55 -0.63 -2.33 115.95 121.76 1c78 h TRP 66 Ca 0.35 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 60.12 1c78 h TRP 66 Cb -0.13 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 1c78 h TRP 66 CO -0.00 0.40 -0.33 0.00 -1.05 0.00 0.00 178.44 177.46 1c78 h ALA 67 N 1.60 1.18 0.00 1.49 0.00 0.74 -2.40 119.26 121.87 1c78 h ALA 67 Ca -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1c78 h ALA 67 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1c78 h ALA 67 CO 0.05 0.41 -0.43 -0.07 0.00 0.00 0.00 179.25 179.21 1c78 h LEU 68 N 0.00 0.00 -0.14 0.00 3.38 -0.75 -2.94 115.31 114.86 1c78 h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c78 h LEU 68 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1c78 h LEU 68 CO 0.04 0.43 0.00 0.47 0.09 0.00 0.00 178.44 179.47 1c78 n ASP 69 N -3.56 0.09 -0.23 -0.43 8.00 -0.90 -0.70 116.55 118.81 1c78 n ASP 69 Ca -0.00 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.16 1c78 n ASP 69 Cb 0.54 -0.55 0.47 0.00 -0.02 0.00 0.00 41.12 41.57 1c78 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c78 n ALA 70 N -1.54 2.92 -4.45 2.24 0.00 -1.11 -4.72 120.51 113.86 1c78 n ALA 70 Ca 0.02 -0.36 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 1c78 n ALA 70 Cb 0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 1c78 n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1c78 n THR 71 N -0.66 0.00 0.38 0.00 -2.24 0.12 -4.82 114.28 107.06 1c78 n THR 71 Ca 0.14 -1.51 0.10 0.00 -2.27 0.00 0.00 64.05 60.51 1c78 n THR 71 Cb 0.32 0.32 0.44 0.00 -2.10 0.00 0.00 70.33 69.31 1c78 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c78 n ALA 72 N -1.97 1.57 -0.57 6.98 0.00 -1.26 -2.14 120.51 123.12 1c78 n ALA 72 Ca -0.13 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1c78 n ALA 72 Cb 0.40 -1.33 0.27 0.00 0.00 0.00 0.00 19.45 18.80 1c78 n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1c78 n TYR 73 N -2.04 1.87 -0.22 0.00 4.01 -1.26 -4.62 117.16 114.90 1c78 n TYR 73 Ca 0.02 -0.85 0.31 0.00 -0.16 0.00 0.00 57.90 57.23 1c78 n TYR 73 Cb 0.19 -0.53 0.72 0.00 -0.31 0.00 0.00 39.34 39.40 1c78 n TYR 73 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1c78 h LYS 74 N 2.53 0.00 -0.25 -0.72 2.10 -1.10 0.33 116.57 119.46 1c78 h LYS 74 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1c78 h LYS 74 Cb 1.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.23 1c78 h LYS 74 CO 0.53 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.37 1c78 n GLU 75 N -3.98 1.62 -3.72 0.07 -0.58 -1.26 -4.52 120.64 108.27 1c78 n GLU 75 Ca 0.21 -0.95 -0.25 0.00 -0.42 0.00 0.00 57.16 55.75 1c78 n GLU 75 Cb 1.15 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 30.75 1c78 n GLU 75 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1c78 s PHE 76 N -1.67 3.48 0.17 -0.32 0.40 0.11 -2.41 117.98 117.74 1c78 s PHE 76 Ca 0.21 0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.86 1c78 s PHE 76 Cb 0.11 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1c78 s PHE 76 CO 0.15 0.36 -0.09 1.03 0.70 0.00 0.00 175.22 177.37 1c78 s ARG 77 N -3.64 2.10 0.02 0.44 0.52 0.45 -4.87 118.95 113.97 1c78 s ARG 77 Ca 0.37 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 1c78 s ARG 77 Cb -0.10 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 1c78 s ARG 77 CO 0.30 0.45 0.99 0.08 0.02 0.00 0.00 175.30 177.14 1c78 s VAL 78 N -1.64 4.78 -0.26 3.52 1.01 -1.26 -2.23 120.40 124.32 1c78 s VAL 78 Ca 0.25 2.03 -0.10 0.00 0.00 0.00 0.00 61.98 64.15 1c78 s VAL 78 Cb -0.09 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.84 1c78 s VAL 78 CO 0.15 0.18 -0.23 0.52 0.00 0.00 0.00 175.10 175.72 1c78 n VAL 79 N 3.76 1.53 -3.65 2.92 0.31 0.56 -4.92 118.33 118.85 1c78 n VAL 79 Ca 0.06 -0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 63.94 1c78 n VAL 79 Cb 0.51 -1.78 -0.05 0.00 -0.91 0.00 0.00 33.84 31.61 1c78 n VAL 79 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1c78 s GLU 80 N -2.50 0.63 -0.00 5.55 2.12 -0.97 -4.99 118.70 118.54 1c78 s GLU 80 Ca -0.36 1.36 -0.24 0.00 0.36 0.00 0.00 54.97 56.09 1c78 s GLU 80 Cb 0.12 0.57 -0.05 0.00 0.26 0.00 0.00 34.13 35.03 1c78 s GLU 80 CO 0.54 -0.18 0.73 -1.17 -0.54 0.00 0.00 175.26 174.64 1c78 s LEU 81 N 2.38 4.40 -0.19 2.70 2.96 -1.26 -0.21 118.68 129.44 1c78 s LEU 81 Ca -0.08 1.33 -0.40 0.00 -0.22 0.00 0.00 54.13 54.77 1c78 s LEU 81 Cb -0.09 -3.16 -0.17 0.00 0.50 0.00 0.00 46.19 43.28 1c78 s LEU 81 CO -0.19 -0.03 1.59 -0.67 -1.32 0.00 0.00 176.35 175.73 1c78 n ASP 82 N 3.17 1.96 0.31 3.68 -0.08 -0.97 -4.80 116.55 119.81 1c78 n ASP 82 Ca -0.02 1.10 0.18 0.00 -1.51 0.00 0.00 54.79 54.54 1c78 n ASP 82 Cb 0.51 -1.12 0.99 0.00 2.34 0.00 0.00 41.12 43.84 1c78 n ASP 82 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1c78 h PRO 83 N 6.10 0.00 -0.08 -0.67 0.13 -1.94 -2.22 132.00 133.33 1c78 h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1c78 h PRO 83 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1c78 h PRO 83 CO 0.90 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.56 1c78 n SER 84 N -3.47 1.32 -4.74 1.44 3.41 -1.26 -4.93 113.62 105.38 1c78 n SER 84 Ca -0.03 -1.54 -0.37 0.00 -0.26 0.00 0.00 58.87 56.68 1c78 n SER 84 Cb 0.12 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1c78 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c78 s ALA 85 N -1.91 2.50 0.11 7.33 0.00 -0.84 -5.02 121.76 123.93 1c78 s ALA 85 Ca 0.36 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.38 1c78 s ALA 85 Cb 0.19 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1c78 s ALA 85 CO 0.30 -1.36 0.16 -1.59 0.00 0.00 0.00 175.76 173.26 1c78 s LYS 86 N -3.31 0.91 -0.27 0.00 -2.85 -1.26 -3.67 119.74 109.28 1c78 s LYS 86 Ca 0.79 -1.15 -0.08 0.00 -1.00 0.00 0.00 55.97 54.53 1c78 s LYS 86 Cb -0.34 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 1c78 s LYS 86 CO 0.37 -0.28 0.11 0.42 0.10 0.00 0.00 175.35 176.06 1c78 s ILE 87 N -3.93 4.55 0.01 3.79 -1.09 -0.33 -4.37 121.20 119.82 1c78 s ILE 87 Ca 0.12 -0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 1c78 s ILE 87 Cb 0.05 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1c78 s ILE 87 CO -0.06 0.27 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.17 1c78 s GLU 88 N 1.64 2.28 -0.03 2.79 2.02 -0.87 -1.17 118.70 125.37 1c78 s GLU 88 Ca 0.06 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1c78 s GLU 88 Cb -0.16 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1c78 s GLU 88 CO 0.05 0.57 -0.09 0.54 0.02 0.00 0.00 175.26 176.36 1c78 s VAL 89 N -0.90 0.75 -0.05 2.63 0.11 -0.28 -0.41 120.40 122.25 1c78 s VAL 89 Ca 0.15 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 1c78 s VAL 89 Cb -0.11 -0.67 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1c78 s VAL 89 CO 0.05 0.24 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.97 1c78 s THR 90 N 0.22 1.64 0.22 5.04 2.01 -1.26 -1.62 115.64 121.89 1c78 s THR 90 Ca -0.03 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 1c78 s THR 90 Cb -0.09 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.05 1c78 s THR 90 CO 0.00 0.47 0.61 -0.72 -0.69 0.00 0.00 174.62 174.29 1c78 s TYR 91 N 0.06 -0.22 -0.24 4.92 1.13 -0.83 -4.79 117.35 117.37 1c78 s TYR 91 Ca -0.06 -0.14 -0.16 0.00 -1.41 0.00 0.00 57.07 55.31 1c78 s TYR 91 Cb -0.13 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1c78 s TYR 91 CO 0.03 -1.02 0.40 -0.47 -2.51 0.00 0.00 175.55 171.98 1c78 s TYR 92 N -3.87 3.30 -0.33 -3.49 5.04 -1.26 -0.36 117.35 116.38 1c78 s TYR 92 Ca 0.09 0.51 -0.26 0.00 -2.44 0.00 0.00 57.07 54.96 1c78 s TYR 92 Cb -0.03 -2.57 0.01 0.00 0.35 0.00 0.00 41.96 39.72 1c78 s TYR 92 CO -0.01 -0.15 0.93 0.34 -1.34 0.00 0.00 175.55 175.32 1c78 s ASP 93 N 1.40 6.77 0.19 4.32 -1.08 -0.36 -4.84 116.67 123.07 1c78 s ASP 93 Ca 0.17 0.78 -0.16 0.00 -0.52 0.00 0.00 52.55 52.83 1c78 s ASP 93 Cb -0.15 -2.47 0.16 0.00 -1.46 0.00 0.00 42.92 38.99 1c78 s ASP 93 CO 0.09 -0.78 1.64 0.11 0.52 0.00 0.00 175.17 176.75 1c78 h LYS 94 N 8.21 -0.02 0.27 4.34 1.57 -1.89 -0.05 116.57 129.00 1c78 h LYS 94 Ca -0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1c78 h LYS 94 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1c78 h LYS 94 CO 0.97 -0.01 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.80 1c78 h ASN 95 N -0.02 -0.31 0.66 0.86 -0.26 -1.97 -3.28 115.58 111.26 1c78 h ASN 95 Ca 0.24 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 1c78 h ASN 95 Cb 0.39 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1c78 h ASN 95 CO -0.53 -0.19 -0.06 0.11 -1.06 0.00 0.00 177.43 175.69 1c78 h LYS 96 N -0.42 0.00 -1.85 0.81 1.57 -2.00 -3.47 116.57 111.21 1c78 h LYS 96 Ca -0.04 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 1c78 h LYS 96 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1c78 h LYS 96 CO 0.06 0.06 -0.33 1.63 -0.57 0.00 0.00 179.45 180.31 1c78 n LYS 97 N -3.27 -1.11 -4.42 3.15 4.01 -0.03 -5.03 118.16 111.44 1c78 n LYS 97 Ca -0.01 0.61 -0.21 0.00 -0.51 0.00 0.00 58.31 58.19 1c78 n LYS 97 Cb 0.27 -4.80 -0.10 0.00 -0.51 0.00 0.00 35.03 29.88 1c78 n LYS 97 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1c78 s LYS 98 N -4.66 1.54 0.16 1.97 1.02 -1.23 -4.94 119.74 113.60 1c78 s LYS 98 Ca 0.01 -1.78 -0.19 0.00 0.02 0.00 0.00 55.97 54.03 1c78 s LYS 98 Cb -0.00 -1.10 -0.07 0.00 -0.52 0.00 0.00 37.83 36.13 1c78 s LYS 98 CO 0.01 0.02 0.65 -2.00 -0.92 0.00 0.00 175.35 173.10 1c78 s GLU 99 N -3.75 4.21 0.03 1.68 2.12 -1.26 -1.22 118.70 120.52 1c78 s GLU 99 Ca 0.30 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.42 1c78 s GLU 99 Cb 0.04 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1c78 s GLU 99 CO 0.12 0.50 -0.07 -2.00 -0.54 0.00 0.00 175.26 173.27 1c78 s GLU 100 N -1.64 0.51 -0.07 4.30 2.12 0.51 -4.93 118.70 119.51 1c78 s GLU 100 Ca 0.37 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1c78 s GLU 100 Cb -0.18 -0.32 0.02 0.00 0.26 0.00 0.00 34.13 33.91 1c78 s GLU 100 CO 0.21 0.06 -0.06 0.99 -0.54 0.00 0.00 175.26 175.92 1c78 s THR 101 N -1.13 0.77 -0.03 -1.70 2.01 -1.26 -1.97 115.64 112.33 1c78 s THR 101 Ca -0.07 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1c78 s THR 101 Cb -0.08 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1c78 s THR 101 CO 0.00 0.29 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.65 1c78 s LYS 102 N 1.18 2.73 -0.02 4.92 -0.14 -0.64 -4.95 119.74 122.84 1c78 s LYS 102 Ca -0.06 -0.60 0.08 0.00 -1.36 0.00 0.00 55.97 54.03 1c78 s LYS 102 Cb -0.14 -2.61 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 1c78 s LYS 102 CO -0.02 0.64 -0.25 -1.12 -0.76 0.00 0.00 175.35 173.85 1c78 s SER 103 N -1.21 2.88 -0.05 2.83 0.01 -1.26 -1.12 113.70 115.78 1c78 s SER 103 Ca 0.16 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.00 1c78 s SER 103 Cb -0.11 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1c78 s SER 103 CO 0.06 0.30 -0.13 -0.36 0.41 0.00 0.00 173.24 173.52 1c78 s PHE 104 N -0.59 1.40 0.37 2.43 0.08 -0.31 -4.98 117.98 116.39 1c78 s PHE 104 Ca 0.09 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 1c78 s PHE 104 Cb -0.09 -0.99 -0.07 0.00 -0.57 0.00 0.00 43.02 41.30 1c78 s PHE 104 CO -0.01 -0.19 0.74 -2.14 -0.10 0.00 0.00 175.22 173.53 1c78 s PRO 105 N 0.31 3.82 -0.48 0.24 0.02 -1.26 -1.18 135.00 136.46 1c78 s PRO 105 Ca -0.08 0.49 -0.22 0.00 0.02 0.00 0.00 61.00 61.21 1c78 s PRO 105 Cb -0.12 -2.42 0.04 0.00 0.02 0.00 0.00 34.50 32.01 1c78 s PRO 105 CO 0.02 0.03 0.77 0.42 -0.33 0.00 0.00 177.00 177.91 1c78 s ILE 106 N -2.25 4.65 0.34 2.83 1.01 -1.24 -4.75 121.20 121.79 1c78 s ILE 106 Ca 0.51 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1c78 s ILE 106 Cb -0.10 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 1c78 s ILE 106 CO 0.28 -0.82 0.07 0.42 0.00 0.00 0.00 174.94 174.89 1c78 s THR 107 N 3.25 1.03 0.03 2.92 -4.23 -1.26 -4.88 115.64 112.51 1c78 s THR 107 Ca 0.26 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.53 1c78 s THR 107 Cb -0.14 -2.70 -0.17 0.00 1.34 0.00 0.00 72.50 70.84 1c78 s THR 107 CO 0.19 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.43 1c78 h GLU 108 N 2.07 0.04 -0.42 3.99 4.39 -1.95 -0.84 114.58 121.86 1c78 h GLU 108 Ca -0.40 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 1c78 h GLU 108 Cb 1.25 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1c78 h GLU 108 CO 0.67 0.30 0.10 -0.22 -1.16 0.00 0.00 179.01 178.69 1c78 h LYS 109 N -0.22 0.68 0.00 2.33 3.64 -1.97 -3.40 116.57 117.63 1c78 h LYS 109 Ca 0.01 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1c78 h LYS 109 Cb 0.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1c78 h LYS 109 CO 0.00 0.70 0.00 0.41 -2.27 0.00 0.00 179.45 178.29 1c78 n GLY 110 N -0.57 -2.84 3.14 5.01 0.00 -1.13 -4.75 105.19 104.04 1c78 n GLY 110 Ca -0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1c78 n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c78 s PHE 111 N -0.60 0.76 -0.06 1.61 -0.71 -1.18 -4.92 117.98 112.87 1c78 s PHE 111 Ca 0.00 -0.99 -0.15 0.00 -1.04 0.00 0.00 56.93 54.75 1c78 s PHE 111 Cb 0.00 -0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 41.29 1c78 s PHE 111 CO 0.00 -0.26 0.38 0.08 -1.34 0.00 0.00 175.22 174.09 1c78 s VAL 112 N -3.76 5.14 0.02 -2.49 1.01 -1.26 -1.50 120.40 117.56 1c78 s VAL 112 Ca 0.11 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 1c78 s VAL 112 Cb 0.06 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1c78 s VAL 112 CO -0.06 0.50 1.75 -0.69 0.00 0.00 0.00 175.10 176.59 1c78 s VAL 113 N -0.44 3.19 0.71 2.92 1.01 -0.11 -4.89 120.40 122.79 1c78 s VAL 113 Ca 0.22 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1c78 s VAL 113 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1c78 s VAL 113 CO 0.10 -0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.09 1c78 s PRO 114 N 3.63 2.84 -0.47 2.72 0.04 -1.26 -1.86 135.00 140.64 1c78 s PRO 114 Ca 0.78 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1c78 s PRO 114 Cb -0.39 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.27 1c78 s PRO 114 CO 0.34 -1.12 0.35 0.34 0.04 0.00 0.00 177.00 176.95 1c78 s ASP 115 N -3.98 5.80 0.00 6.66 -1.08 -1.26 -4.67 116.67 118.14 1c78 s ASP 115 Ca 0.58 -1.74 0.23 0.00 -0.52 0.00 0.00 52.55 51.10 1c78 s ASP 115 Cb -0.13 -2.05 0.54 0.00 -1.46 0.00 0.00 42.92 39.81 1c78 s ASP 115 CO 0.54 -0.68 1.47 0.18 0.52 0.00 0.00 175.17 177.20 1c78 n LEU 116 N 4.99 3.72 -0.20 -1.34 4.77 -1.26 -4.54 117.00 123.13 1c78 n LEU 116 Ca -0.10 -1.76 0.30 0.00 -0.03 0.00 0.00 56.01 54.42 1c78 n LEU 116 Cb 0.41 -0.37 0.73 0.00 -2.33 0.00 0.00 43.42 41.86 1c78 n LEU 116 CO 0.44 0.87 1.28 0.77 -1.33 0.00 0.00 177.39 179.42 1c78 h SER 117 N 4.35 0.00 -0.27 -1.43 4.64 -1.91 0.48 113.55 119.41 1c78 h SER 117 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1c78 h SER 117 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1c78 h SER 117 CO 0.00 0.00 0.23 -0.08 -0.87 0.00 0.00 176.83 176.11 1c78 h GLU 118 N 0.00 0.00 0.00 4.77 4.81 -2.01 -3.06 114.58 119.10 1c78 h GLU 118 Ca 0.45 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.44 1c78 h GLU 118 Cb 1.90 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.23 1c78 h GLU 118 CO -0.00 0.00 -1.98 0.72 -0.73 0.00 0.00 179.01 177.01 1c78 n HIS 119 N -4.13 0.00 -3.65 0.92 8.25 0.16 -4.93 115.22 111.84 1c78 n HIS 119 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 1c78 n HIS 119 Cb 0.39 -0.70 -0.08 0.00 1.12 0.00 0.00 29.99 30.72 1c78 n HIS 119 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1c78 s ILE 120 N -2.41 -0.00 -0.09 1.59 2.07 -0.89 -4.87 121.20 116.59 1c78 s ILE 120 Ca -0.07 0.01 0.14 0.00 -1.41 0.00 0.00 60.65 59.32 1c78 s ILE 120 Cb 0.05 -0.91 0.03 0.00 0.13 0.00 0.00 42.46 41.76 1c78 s ILE 120 CO 0.61 0.00 1.45 0.50 -1.91 0.00 0.00 174.94 175.59 1c78 h LYS 121 N 6.17 0.00 -2.15 3.50 1.63 -1.86 -3.26 116.57 120.59 1c78 h LYS 121 Ca -0.30 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.93 1c78 h LYS 121 Cb 1.19 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.41 1c78 h LYS 121 CO 0.15 0.57 -0.83 0.27 -3.45 0.00 0.00 179.45 176.15 1c78 n ASN 122 N -3.27 2.70 -4.75 4.20 6.94 -1.26 -3.53 115.26 116.29 1c78 n ASN 122 Ca 0.01 -3.29 -0.37 0.00 -0.02 0.00 0.00 54.58 50.91 1c78 n ASN 122 Cb 0.75 -0.62 0.03 0.00 -2.36 0.00 0.00 39.78 37.58 1c78 n ASN 122 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1c78 s PRO 123 N -2.55 3.17 -0.39 -0.53 0.04 -1.26 -4.76 135.00 128.72 1c78 s PRO 123 Ca 0.42 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 1c78 s PRO 123 Cb 0.24 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1c78 s PRO 123 CO -0.09 -1.08 0.24 0.20 0.04 0.00 0.00 177.00 176.31 1c78 s GLY 124 N -1.33 1.95 -0.37 0.56 0.00 -1.26 -1.92 107.32 104.95 1c78 s GLY 124 Ca 0.73 -1.77 -0.24 0.00 0.00 0.00 0.00 44.72 43.44 1c78 s GLY 124 CO 0.38 0.88 0.83 -1.36 0.00 0.00 0.00 173.10 173.83 1c78 s PHE 125 N 1.57 3.09 -0.18 1.90 0.40 -0.13 -4.37 117.98 120.26 1c78 s PHE 125 Ca 0.03 0.58 -0.16 0.00 -0.60 0.00 0.00 56.93 56.77 1c78 s PHE 125 Cb -0.20 -3.50 -0.04 0.00 0.51 0.00 0.00 43.02 39.79 1c78 s PHE 125 CO 0.07 -0.78 0.42 -0.80 0.70 0.00 0.00 175.22 174.82 1c78 s ASN 126 N 1.88 6.51 -0.33 1.36 0.02 0.46 0.24 114.94 125.08 1c78 s ASN 126 Ca 0.33 0.60 -0.02 0.00 -1.02 0.00 0.00 52.86 52.76 1c78 s ASN 126 Cb -0.13 -2.25 0.07 0.00 0.02 0.00 0.00 41.25 38.97 1c78 s ASN 126 CO 0.18 -0.05 0.05 -0.22 0.02 0.00 0.00 177.10 177.08 1c78 s LEU 127 N 1.09 4.28 -0.31 0.60 2.96 0.84 -2.04 118.68 126.10 1c78 s LEU 127 Ca 0.21 -1.51 0.01 0.00 -0.22 0.00 0.00 54.13 52.62 1c78 s LEU 127 Cb -0.15 -1.73 0.09 0.00 0.50 0.00 0.00 46.19 44.90 1c78 s LEU 127 CO 0.08 -0.34 0.05 -0.63 -1.32 0.00 0.00 176.35 174.19 1c78 s ILE 128 N 1.20 1.57 0.06 6.68 1.01 -1.26 0.26 121.20 130.72 1c78 s ILE 128 Ca -0.01 -1.74 -0.01 0.00 0.00 0.00 0.00 60.65 58.90 1c78 s ILE 128 Cb -0.20 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1c78 s ILE 128 CO -0.02 -0.53 0.09 0.35 0.00 0.00 0.00 174.94 174.83 1c78 n THR 129 N 4.57 0.00 -4.24 2.92 -2.24 -1.24 -4.81 114.28 109.25 1c78 n THR 129 Ca -0.02 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 1c78 n THR 129 Cb 0.42 0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 1c78 n THR 129 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1c78 s LYS 130 N -2.12 2.27 -0.07 -0.78 1.02 -1.26 -0.82 119.74 117.98 1c78 s LYS 130 Ca 0.05 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 1c78 s LYS 130 Cb -0.00 -2.38 0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1c78 s LYS 130 CO 0.03 0.53 0.18 0.54 -0.92 0.00 0.00 175.35 175.71 1c78 s VAL 131 N -1.21 -0.02 -0.06 3.17 0.11 -0.60 -2.30 120.40 119.49 1c78 s VAL 131 Ca 0.22 0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 59.08 1c78 s VAL 131 Cb -0.11 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1c78 s VAL 131 CO 0.14 0.04 0.90 -0.69 -3.33 0.00 0.00 175.10 172.15 1c78 s VAL 132 N 0.69 4.90 0.12 2.04 1.01 0.70 -1.00 120.40 128.85 1c78 s VAL 132 Ca -0.05 1.85 0.07 0.00 0.00 0.00 0.00 61.98 63.85 1c78 s VAL 132 Cb -0.06 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1c78 s VAL 132 CO -0.04 0.14 -0.16 0.27 0.00 0.00 0.00 175.10 175.31 1c78 s ILE 133 N 1.28 1.44 0.06 2.22 -4.36 -0.87 -0.32 121.20 120.65 1c78 s ILE 133 Ca 0.46 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 1c78 s ILE 133 Cb -0.19 -1.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 1c78 s ILE 133 CO 0.22 -0.29 -0.07 -1.83 0.24 0.00 0.00 174.94 173.21 1c78 s GLU 134 N -2.36 0.63 0.35 0.37 -1.05 -0.95 -4.66 118.70 111.04 1c78 s GLU 134 Ca 0.07 -0.99 -0.25 0.00 -0.15 0.00 0.00 54.97 53.65 1c78 s GLU 134 Cb -0.07 -0.20 -0.10 0.00 -0.44 0.00 0.00 34.13 33.32 1c78 s GLU 134 CO 0.04 0.01 0.99 0.21 0.95 0.00 0.00 175.26 177.46 1c78 s LYS 135 N -2.53 4.42 0.00 -4.83 2.20 -1.26 -0.41 119.74 117.32 1c78 s LYS 135 Ca -0.01 1.42 0.13 0.00 -0.36 0.00 0.00 55.97 57.14 1c78 s LYS 135 Cb -0.03 -2.70 0.75 0.00 -1.51 0.00 0.00 37.83 34.34 1c78 s LYS 135 CO -0.02 0.10 1.18 1.63 -0.36 0.00 0.00 175.35 177.88