#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 n SER 2 N 0.00 6.57 0.06 1.61 2.88 -1.26 -4.36 113.62 119.12 1wh0 n SER 2 Ca 0.00 -3.17 -0.22 0.00 -1.33 0.00 0.00 58.87 54.15 1wh0 n SER 2 Cb 0.00 -1.11 -0.15 0.00 -0.75 0.00 0.00 64.21 62.21 1wh0 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wh0 h SER 3 N 2.01 0.54 -2.03 -3.46 0.87 -2.13 -3.45 113.55 105.90 1wh0 h SER 3 Ca 0.35 -0.91 -0.62 0.00 -1.23 0.00 0.00 61.79 59.38 1wh0 h SER 3 Cb 0.84 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1wh0 h SER 3 CO 0.87 1.64 1.06 0.61 -0.53 0.00 0.00 176.83 180.47 1wh0 n GLY 4 N 1.76 1.39 0.21 5.77 0.00 -1.26 -4.87 105.19 108.19 1wh0 n GLY 4 Ca -0.22 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 1wh0 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wh0 h SER 5 N 8.75 0.71 -6.43 1.61 0.02 -1.99 -3.47 113.55 112.75 1wh0 h SER 5 Ca -0.48 -0.38 -0.49 0.00 -0.84 0.00 0.00 61.79 59.60 1wh0 h SER 5 Cb 1.27 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 1wh0 h SER 5 CO 0.94 0.93 -0.85 -1.54 -1.14 0.00 0.00 176.83 175.17 1wh0 n SER 6 N -4.37 -1.40 0.00 3.07 3.41 -1.26 -4.89 113.62 108.18 1wh0 n SER 6 Ca -0.02 -0.95 -0.03 0.00 -0.26 0.00 0.00 58.87 57.61 1wh0 n SER 6 Cb 0.36 -3.29 -0.02 0.00 -0.26 0.00 0.00 64.21 61.00 1wh0 n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wh0 h GLY 7 N -1.82 -1.42 -1.25 5.00 0.00 -2.02 -3.42 103.07 98.14 1wh0 h GLY 7 Ca -0.62 0.65 -0.51 0.00 0.00 0.00 0.00 47.33 46.86 1wh0 h GLY 7 CO 0.64 -0.50 0.21 0.54 0.00 0.00 0.00 176.54 177.44 1wh0 s VAL 8 N -3.55 2.30 0.42 4.60 0.11 -1.26 -5.04 120.40 117.98 1wh0 s VAL 8 Ca -0.03 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1wh0 s VAL 8 Cb 0.01 -2.23 0.09 0.00 -1.53 0.00 0.00 36.38 32.73 1wh0 s VAL 8 CO 0.12 -0.13 0.58 0.47 -3.33 0.00 0.00 175.10 172.81 1wh0 n ASP 9 N -4.19 0.24 -4.93 3.54 8.00 -1.26 -5.09 116.55 112.86 1wh0 n ASP 9 Ca 0.10 -1.33 -0.28 0.00 0.71 0.00 0.00 54.79 54.00 1wh0 n ASP 9 Cb 0.53 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1wh0 n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wh0 s GLU 10 N -4.14 3.50 0.00 -1.24 2.02 -1.26 -4.97 118.70 112.60 1wh0 s GLU 10 Ca 0.34 -0.40 0.05 0.00 0.02 0.00 0.00 54.97 54.97 1wh0 s GLU 10 Cb -0.01 -2.90 0.27 0.00 0.10 0.00 0.00 34.13 31.59 1wh0 s GLU 10 CO 0.23 0.47 0.74 -0.35 0.02 0.00 0.00 175.26 176.37 1wh0 n PRO 11 N -0.42 0.49 -0.28 0.39 -0.04 -1.26 -4.13 135.00 129.75 1wh0 n PRO 11 Ca -0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1wh0 n PRO 11 Cb 0.53 -1.14 0.10 0.00 -0.04 0.00 0.00 33.50 32.94 1wh0 n PRO 11 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wh0 n GLU 12 N -0.64 -0.08 -0.35 0.54 0.28 -1.26 0.26 120.64 119.38 1wh0 n GLU 12 Ca 0.03 1.18 0.01 0.00 -0.16 0.00 0.00 57.16 58.23 1wh0 n GLU 12 Cb 0.02 -1.77 0.15 0.00 1.43 0.00 0.00 31.44 31.27 1wh0 n GLU 12 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wh0 h SER 13 N 0.00 1.00 -4.14 -1.84 0.87 -2.03 -3.42 113.55 103.99 1wh0 h SER 13 Ca 0.35 0.01 -0.47 0.00 -1.23 0.00 0.00 61.79 60.45 1wh0 h SER 13 Cb 0.54 -0.21 0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1wh0 h SER 13 CO -0.78 0.65 0.37 -0.04 -0.53 0.00 0.00 176.83 176.51 1wh0 s MET 14 N -6.06 3.76 -0.30 2.24 -1.94 0.71 -5.01 119.30 112.70 1wh0 s MET 14 Ca -0.13 1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 54.81 1wh0 s MET 14 Cb 0.19 -2.10 -0.00 0.00 2.01 0.00 0.00 34.83 34.93 1wh0 s MET 14 CO 0.81 -0.45 0.72 0.08 -0.01 0.00 0.00 175.02 176.17 1wh0 s VAL 15 N -2.31 4.86 -0.17 -6.03 1.01 -0.78 -4.92 120.40 112.06 1wh0 s VAL 15 Ca 0.63 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 1wh0 s VAL 15 Cb -0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wh0 s VAL 15 CO 0.27 -0.18 0.62 0.20 0.00 0.00 0.00 175.10 176.01 1wh0 s ASN 16 N 1.60 6.73 0.23 3.32 0.01 -1.26 -0.10 114.94 125.48 1wh0 s ASN 16 Ca 0.29 0.89 -0.30 0.00 -0.71 0.00 0.00 52.86 53.03 1wh0 s ASN 16 Cb -0.15 -2.35 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 1wh0 s ASN 16 CO 0.12 -0.21 1.02 -0.76 -1.51 0.00 0.00 177.10 175.75 1wh0 s LEU 17 N 1.56 4.58 -0.10 0.60 1.43 0.95 -4.86 118.68 122.83 1wh0 s LEU 17 Ca 0.30 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.44 1wh0 s LEU 17 Cb -0.16 -3.61 -0.25 0.00 0.03 0.00 0.00 46.19 42.20 1wh0 s LEU 17 CO 0.12 -0.02 0.42 0.00 0.23 0.00 0.00 176.35 177.10 1wh0 n ALA 18 N 1.70 1.08 -3.68 4.21 0.00 -1.26 -4.51 120.51 118.04 1wh0 n ALA 18 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1wh0 n ALA 18 Cb 0.46 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 1wh0 n ALA 18 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wh0 s PHE 19 N -2.57 -0.49 -0.15 0.00 5.36 -1.26 -5.07 117.98 113.80 1wh0 s PHE 19 Ca -0.18 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.87 1wh0 s PHE 19 Cb 0.07 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.84 1wh0 s PHE 19 CO 0.78 -0.35 -0.19 0.08 -1.46 0.00 0.00 175.22 174.08 1wh0 s VAL 20 N 2.07 2.29 -0.35 3.12 1.01 -1.26 -5.06 120.40 122.21 1wh0 s VAL 20 Ca -0.03 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1wh0 s VAL 20 Cb -0.11 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.26 1wh0 s VAL 20 CO -0.10 0.53 2.30 1.17 0.00 0.00 0.00 175.10 179.00 1wh0 n LYS 21 N 4.14 1.47 -3.86 2.72 0.00 -1.26 -4.89 118.16 116.48 1wh0 n LYS 21 Ca -0.20 0.31 -0.09 0.00 0.00 0.00 0.00 58.31 58.34 1wh0 n LYS 21 Cb 0.51 -3.11 -0.04 0.00 0.00 0.00 0.00 35.03 32.39 1wh0 n LYS 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wh0 s ASN 22 N 9.36 -0.17 -0.05 3.14 6.03 -1.26 -0.20 114.94 131.78 1wh0 s ASN 22 Ca 1.03 -0.67 -0.02 0.00 -1.03 0.00 0.00 52.86 52.16 1wh0 s ASN 22 Cb -0.41 0.58 0.04 0.00 -3.03 0.00 0.00 41.25 38.43 1wh0 s ASN 22 CO 0.35 -1.09 0.10 -1.81 -2.03 0.00 0.00 177.10 172.62 1wh0 s ASP 23 N -2.93 0.66 -0.13 3.54 1.01 0.14 -4.93 116.67 114.02 1wh0 s ASP 23 Ca 0.14 0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.61 1wh0 s ASP 23 Cb -0.01 0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.97 1wh0 s ASP 23 CO 0.02 -0.21 -0.20 -0.94 0.21 0.00 0.00 175.17 174.05 1wh0 s SER 24 N 1.88 3.32 0.07 0.27 1.04 -1.26 0.17 113.70 119.19 1wh0 s SER 24 Ca -0.00 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1wh0 s SER 24 Cb -0.12 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 1wh0 s SER 24 CO -0.04 0.11 0.03 -0.72 0.98 0.00 0.00 173.24 173.60 1wh0 s TYR 25 N 0.66 3.08 -0.70 5.02 1.13 -0.87 -4.96 117.35 120.71 1wh0 s TYR 25 Ca -0.10 0.03 -0.26 0.00 -1.41 0.00 0.00 57.07 55.33 1wh0 s TYR 25 Cb -0.16 -1.59 0.00 0.00 -1.10 0.00 0.00 41.96 39.11 1wh0 s TYR 25 CO 0.02 0.49 1.62 -1.21 -2.51 0.00 0.00 175.55 173.96 1wh0 s GLU 26 N -2.22 2.89 0.18 -3.49 8.01 -1.26 -2.82 118.70 119.98 1wh0 s GLU 26 Ca 0.26 0.14 0.03 0.00 0.01 0.00 0.00 54.97 55.42 1wh0 s GLU 26 Cb -0.12 -4.39 -0.03 0.00 -4.31 0.00 0.00 34.13 25.28 1wh0 s GLU 26 CO 0.18 -2.52 0.29 0.21 0.01 0.00 0.00 175.26 173.44 1wh0 s LYS 27 N 6.43 3.39 0.45 1.61 2.20 -0.97 -5.00 119.74 127.86 1wh0 s LYS 27 Ca 0.54 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1wh0 s LYS 27 Cb -0.10 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1wh0 s LYS 27 CO 0.16 0.49 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 1wh0 n GLY 28 N -0.79 -0.26 0.07 5.54 0.00 -1.26 -1.91 105.19 106.58 1wh0 n GLY 28 Ca -0.08 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1wh0 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 29 N 0.00 -0.05 0.00 1.61 0.13 -1.98 -3.36 132.00 128.34 1wh0 h PRO 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wh0 h PRO 29 Cb 0.04 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1wh0 h PRO 29 CO 0.00 0.41 -0.04 -0.25 -0.23 0.00 0.00 178.00 177.90 1wh0 n ASP 30 N -4.89 1.85 -4.88 1.44 9.92 -1.26 -4.58 116.55 114.15 1wh0 n ASP 30 Ca -0.08 -2.40 -0.30 0.00 -0.53 0.00 0.00 54.79 51.48 1wh0 n ASP 30 Cb 0.25 -0.20 -0.04 0.00 -0.64 0.00 0.00 41.12 40.49 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wh0 s SER 31 N -1.74 6.54 -0.27 -2.24 0.01 -0.80 -1.27 113.70 113.93 1wh0 s SER 31 Ca 0.14 0.93 -0.01 0.00 1.31 0.00 0.00 55.95 58.32 1wh0 s SER 31 Cb 0.12 -2.23 0.15 0.00 0.21 0.00 0.00 66.02 64.27 1wh0 s SER 31 CO 0.01 -0.23 0.43 -0.69 0.41 0.00 0.00 173.24 173.17 1wh0 s VAL 32 N -2.10 -0.69 0.26 3.43 1.01 -0.86 -2.28 120.40 119.18 1wh0 s VAL 32 Ca 0.48 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 1wh0 s VAL 32 Cb -0.11 -0.90 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 1wh0 s VAL 32 CO 0.27 -0.14 0.65 -0.69 0.00 0.00 0.00 175.10 175.19 1wh0 s VAL 33 N 2.60 4.78 -0.05 2.92 1.01 -1.13 -0.91 120.40 129.62 1wh0 s VAL 33 Ca 0.13 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1wh0 s VAL 33 Cb -0.14 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1wh0 s VAL 33 CO -0.21 -0.06 -0.09 -0.69 0.00 0.00 0.00 175.10 174.05 1wh0 s VAL 34 N -1.82 0.90 -0.31 2.92 1.01 -0.80 -2.05 120.40 120.26 1wh0 s VAL 34 Ca 0.49 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1wh0 s VAL 34 Cb -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.47 1wh0 s VAL 34 CO 0.19 0.30 0.03 -1.00 0.00 0.00 0.00 175.10 174.62 1wh0 s HIS 35 N 0.66 3.28 -0.18 5.22 3.76 0.13 -2.54 115.29 125.62 1wh0 s HIS 35 Ca -0.12 -1.81 -0.15 0.00 -0.15 0.00 0.00 55.06 52.83 1wh0 s HIS 35 Cb -0.14 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1wh0 s HIS 35 CO 0.02 -0.80 0.37 0.08 -0.85 0.00 0.00 174.74 173.56 1wh0 s VAL 36 N 1.28 5.24 -0.64 -0.90 1.01 -0.71 0.27 120.40 125.94 1wh0 s VAL 36 Ca -0.04 0.66 -0.26 0.00 0.00 0.00 0.00 61.98 62.35 1wh0 s VAL 36 Cb -0.20 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1wh0 s VAL 36 CO -0.00 0.30 1.13 -0.31 0.00 0.00 0.00 175.10 176.22 1wh0 s TYR 37 N 1.00 2.55 -0.17 5.22 1.51 0.72 -1.57 117.35 126.61 1wh0 s TYR 37 Ca 0.18 0.01 -0.31 0.00 -1.01 0.00 0.00 57.07 55.95 1wh0 s TYR 37 Cb -0.14 -4.42 0.14 0.00 -0.11 0.00 0.00 41.96 37.43 1wh0 s TYR 37 CO 0.07 -1.71 1.09 0.54 -1.11 0.00 0.00 175.55 174.43 1wh0 s VAL 38 N 4.85 0.00 0.31 0.71 0.11 -1.08 -4.77 120.40 120.53 1wh0 s VAL 38 Ca 0.34 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.44 1wh0 s VAL 38 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1wh0 s VAL 38 CO 0.18 0.00 0.22 -0.54 -3.33 0.00 0.00 175.10 171.63 1wh0 s LYS 39 N -1.59 1.66 -1.41 1.54 1.02 -1.26 -3.23 119.74 116.47 1wh0 s LYS 39 Ca 0.03 -1.96 -0.09 0.00 0.02 0.00 0.00 55.97 53.98 1wh0 s LYS 39 Cb -0.01 0.12 0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1wh0 s LYS 39 CO -0.03 -0.55 0.99 0.39 -0.92 0.00 0.00 175.35 175.23 1wh0 n GLU 40 N -0.60 -6.18 -3.53 1.68 -0.58 -1.26 -3.75 120.64 106.42 1wh0 n GLU 40 Ca 0.04 0.69 -0.33 0.00 -0.42 0.00 0.00 57.16 57.14 1wh0 n GLU 40 Cb 0.64 -5.57 -0.05 0.00 -0.57 0.00 0.00 31.44 25.88 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wh0 s ILE 41 N -3.38 5.04 -0.51 -3.67 1.01 -1.26 -0.17 121.20 118.26 1wh0 s ILE 41 Ca 0.45 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 61.32 1wh0 s ILE 41 Cb -0.22 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1wh0 s ILE 41 CO 0.79 0.10 0.50 0.00 0.00 0.00 0.00 174.94 176.33 1wh0 n ARG 43 N 5.53 0.19 0.04 0.00 1.74 -1.26 -0.76 116.66 122.14 1wh0 n ARG 43 Ca -0.11 0.14 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 1wh0 n ARG 43 Cb 0.43 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 1wh0 n ARG 43 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1wh0 h ASP 44 N 0.00 0.51 -0.32 0.55 5.19 -1.99 -3.37 116.42 116.99 1wh0 h ASP 44 Ca 0.00 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 55.46 1wh0 h ASP 44 Cb 0.07 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1wh0 h ASP 44 CO 0.00 1.83 0.00 0.35 -3.12 0.00 0.00 179.24 178.30 1wh0 n THR 45 N -3.53 1.71 -4.07 0.35 -2.24 -0.91 -4.92 114.28 100.67 1wh0 n THR 45 Ca -0.29 -1.46 -0.33 0.00 -2.27 0.00 0.00 64.05 59.71 1wh0 n THR 45 Cb 1.06 0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.23 1wh0 n THR 45 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wh0 s SER 46 N -1.46 3.78 0.39 3.42 0.01 0.06 -4.34 113.70 115.57 1wh0 s SER 46 Ca 0.34 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.75 1wh0 s SER 46 Cb 0.25 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 1wh0 s SER 46 CO 0.13 -0.08 0.16 0.00 0.41 0.00 0.00 173.24 173.85 1wh0 s ARG 47 N 1.25 1.90 -0.03 12.44 1.70 0.39 -4.75 118.95 131.84 1wh0 s ARG 47 Ca 0.00 -2.15 -0.01 0.00 -0.47 0.00 0.00 55.73 53.10 1wh0 s ARG 47 Cb -0.16 -0.44 0.03 0.00 -0.57 0.00 0.00 34.95 33.81 1wh0 s ARG 47 CO -0.09 -0.51 0.04 0.08 -1.08 0.00 0.00 175.30 173.74 1wh0 s VAL 48 N -3.26 -0.03 -0.47 4.99 1.01 -1.26 -0.80 120.40 120.58 1wh0 s VAL 48 Ca 0.27 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1wh0 s VAL 48 Cb 0.02 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.32 1wh0 s VAL 48 CO 0.17 0.15 0.38 -0.76 0.00 0.00 0.00 175.10 175.04 1wh0 s LEU 49 N 1.66 5.58 -0.39 3.92 1.43 0.54 -4.98 118.68 126.44 1wh0 s LEU 49 Ca -0.01 -1.37 -0.26 0.00 -1.03 0.00 0.00 54.13 51.46 1wh0 s LEU 49 Cb -0.13 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1wh0 s LEU 49 CO -0.03 -0.64 0.92 -0.36 0.23 0.00 0.00 176.35 176.47 1wh0 s PHE 50 N 1.61 3.04 0.65 0.29 0.08 -1.26 -0.65 117.98 121.74 1wh0 s PHE 50 Ca 0.04 0.68 0.04 0.00 0.12 0.00 0.00 56.93 57.81 1wh0 s PHE 50 Cb -0.24 -3.72 0.12 0.00 -0.57 0.00 0.00 43.02 38.61 1wh0 s PHE 50 CO 0.06 -0.89 0.90 0.54 -0.10 0.00 0.00 175.22 175.73 1wh0 n ARG 51 N 6.86 0.22 0.09 0.44 5.12 0.24 -4.64 116.66 124.98 1wh0 n ARG 51 Ca 0.07 -2.87 -0.23 0.00 -1.93 0.00 0.00 57.85 52.89 1wh0 n ARG 51 Cb 0.48 -0.47 -0.15 0.00 -1.16 0.00 0.00 32.46 31.16 1wh0 n ARG 51 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1wh0 h GLU 52 N 0.00 0.41 -0.05 5.56 4.11 -1.96 -3.33 114.58 119.31 1wh0 h GLU 52 Ca -0.30 -0.70 -0.01 0.00 0.07 0.00 0.00 59.36 58.43 1wh0 h GLU 52 Cb 1.22 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1wh0 h GLU 52 CO 0.37 1.33 -0.05 0.94 0.07 0.00 0.00 179.01 181.67 1wh0 n GLN 53 N -3.89 1.60 -3.30 1.06 7.27 -1.26 0.76 117.38 119.62 1wh0 n GLN 53 Ca -0.17 -2.71 -0.01 0.00 0.07 0.00 0.00 57.00 54.17 1wh0 n GLN 53 Cb 0.97 -1.58 0.01 0.00 2.41 0.00 0.00 30.24 32.06 1wh0 n GLN 53 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1wh0 n ASP 54 N -1.25 -1.20 -3.40 1.69 5.75 -1.26 -2.56 116.55 114.32 1wh0 n ASP 54 Ca 0.18 -1.56 0.02 0.00 -0.01 0.00 0.00 54.79 53.41 1wh0 n ASP 54 Cb 0.70 1.93 -0.03 0.00 -1.03 0.00 0.00 41.12 42.69 1wh0 n ASP 54 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1wh0 s PHE 55 N -2.90 -1.21 0.02 2.11 -0.71 -1.16 -0.60 117.98 113.53 1wh0 s PHE 55 Ca 0.18 1.75 -0.08 0.00 -1.04 0.00 0.00 56.93 57.74 1wh0 s PHE 55 Cb -0.02 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.34 1wh0 s PHE 55 CO 0.03 -0.63 0.31 0.99 -1.34 0.00 0.00 175.22 174.58 1wh0 s THR 56 N 2.80 5.24 -0.27 -4.49 2.01 0.17 -2.91 115.64 118.19 1wh0 s THR 56 Ca 0.03 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1wh0 s THR 56 Cb -0.12 -3.59 0.08 0.00 0.01 0.00 0.00 72.50 68.88 1wh0 s THR 56 CO -0.19 0.38 0.01 -0.22 -0.69 0.00 0.00 174.62 173.92 1wh0 s LEU 57 N -1.68 2.78 -0.32 4.42 2.96 -0.03 -0.34 118.68 126.47 1wh0 s LEU 57 Ca 0.28 -1.46 -0.10 0.00 -0.22 0.00 0.00 54.13 52.63 1wh0 s LEU 57 Cb -0.14 -1.13 -0.00 0.00 0.50 0.00 0.00 46.19 45.42 1wh0 s LEU 57 CO 0.15 -0.32 0.17 -0.63 -1.32 0.00 0.00 176.35 174.40 1wh0 s ILE 58 N 1.40 4.63 -0.10 6.68 1.09 0.02 -1.62 121.20 133.30 1wh0 s ILE 58 Ca 0.02 -0.49 -0.12 0.00 -1.10 0.00 0.00 60.65 58.95 1wh0 s ILE 58 Cb -0.18 -3.40 0.03 0.00 -1.06 0.00 0.00 42.46 37.85 1wh0 s ILE 58 CO -0.12 0.01 0.33 0.72 -0.10 0.00 0.00 174.94 175.77 1wh0 s PHE 59 N 1.61 -0.33 -0.40 3.97 -0.12 -1.04 0.15 117.98 121.81 1wh0 s PHE 59 Ca 0.04 0.76 -0.11 0.00 -0.05 0.00 0.00 56.93 57.57 1wh0 s PHE 59 Cb -0.17 0.12 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1wh0 s PHE 59 CO 0.06 -0.22 0.25 -0.65 -0.05 0.00 0.00 175.22 174.62 1wh0 s GLN 60 N -0.12 2.78 0.18 1.99 -0.21 -1.26 -3.53 119.66 119.50 1wh0 s GLN 60 Ca -0.03 -1.23 -0.06 0.00 0.02 0.00 0.00 55.36 54.06 1wh0 s GLN 60 Cb -0.03 -3.81 -0.06 0.00 1.00 0.00 0.00 33.01 30.11 1wh0 s GLN 60 CO 0.01 -0.83 0.45 -0.08 -2.12 0.00 0.00 175.29 172.72 1wh0 s THR 61 N 1.53 5.08 -0.14 -0.19 -1.32 -1.26 -2.10 115.64 117.23 1wh0 s THR 61 Ca 0.03 0.17 0.17 0.00 -1.21 0.00 0.00 61.69 60.85 1wh0 s THR 61 Cb -0.21 -3.63 0.43 0.00 -1.51 0.00 0.00 72.50 67.58 1wh0 s THR 61 CO 0.05 -0.03 1.19 0.54 -2.21 0.00 0.00 174.62 174.17 1wh0 n ARG 62 N -0.09 1.16 -3.45 7.08 1.74 0.76 -4.11 116.66 119.76 1wh0 n ARG 62 Ca -0.01 -2.90 -0.42 0.00 -0.77 0.00 0.00 57.85 53.74 1wh0 n ARG 62 Cb 0.52 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.79 1wh0 n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wh0 s ASP 63 N -2.84 6.12 0.63 0.55 2.15 -1.25 -4.88 116.67 117.15 1wh0 s ASP 63 Ca 0.37 -0.60 0.23 0.00 0.43 0.00 0.00 52.55 52.97 1wh0 s ASP 63 Cb 0.38 -2.17 1.09 0.00 -0.30 0.00 0.00 42.92 41.92 1wh0 s ASP 63 CO -0.10 -0.39 1.58 1.23 -0.17 0.00 0.00 175.17 177.33 1wh0 h GLY 64 N 8.68 0.00 1.06 2.66 0.00 -1.95 0.55 103.07 114.06 1wh0 h GLY 64 Ca -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 1wh0 h GLY 64 CO 0.70 0.00 -0.59 3.43 0.00 0.00 0.00 176.54 180.09 1wh0 h ASN 65 N 0.00 0.84 0.60 0.19 2.35 -1.98 -0.70 115.58 116.88 1wh0 h ASN 65 Ca 0.18 -0.59 -0.28 0.00 -0.55 0.00 0.00 56.30 55.07 1wh0 h ASN 65 Cb 1.63 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.72 1wh0 h ASN 65 CO -0.00 1.29 -1.47 0.15 -1.65 0.00 0.00 177.43 175.74 1wh0 h PHE 66 N 0.45 0.17 0.06 1.19 3.04 -0.47 -3.36 116.94 118.02 1wh0 h PHE 66 Ca -0.02 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.80 1wh0 h PHE 66 Cb 1.21 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1wh0 h PHE 66 CO 0.09 1.16 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.44 1wh0 h LEU 67 N 0.03 -0.07 -1.00 0.59 3.38 -0.70 -3.21 115.31 114.32 1wh0 h LEU 67 Ca -0.20 -0.48 0.37 0.00 0.09 0.00 0.00 57.88 57.65 1wh0 h LEU 67 Cb 1.95 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 42.55 1wh0 h LEU 67 CO 0.12 0.48 0.53 0.03 0.09 0.00 0.00 178.44 179.69 1wh0 h ARG 68 N -0.66 0.14 -0.89 1.13 3.08 -1.29 1.15 114.38 117.05 1wh0 h ARG 68 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1wh0 h ARG 68 Cb 0.55 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1wh0 h ARG 68 CO 0.01 0.09 0.56 -0.07 -1.07 0.00 0.00 179.97 179.49 1wh0 h LEU 69 N 0.14 1.05 -7.74 3.04 3.38 -1.69 -3.33 115.31 110.16 1wh0 h LEU 69 Ca 0.79 -0.05 -0.74 0.00 0.09 0.00 0.00 57.88 57.97 1wh0 h LEU 69 Cb 1.96 -0.26 -0.30 0.00 0.09 0.00 0.00 40.66 42.14 1wh0 h LEU 69 CO -0.70 0.79 -0.17 -1.00 0.09 0.00 0.00 178.44 177.45 1wh0 s HIS 70 N -5.94 3.56 0.74 1.13 3.76 0.40 -5.07 115.29 113.87 1wh0 s HIS 70 Ca -0.12 -2.27 -0.12 0.00 -0.15 0.00 0.00 55.06 52.40 1wh0 s HIS 70 Cb 0.18 -3.51 0.04 0.00 1.11 0.00 0.00 32.58 30.39 1wh0 s HIS 70 CO 0.81 -0.93 1.10 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.26 2.39 0.00 8.40 0.04 -1.25 -3.50 135.00 141.34 1wh0 s PRO 71 Ca 0.15 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1wh0 s PRO 71 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1wh0 s PRO 71 CO -0.05 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1wh0 n GLY 72 N -1.03 3.08 3.72 0.56 0.00 -1.26 -4.99 105.19 105.27 1wh0 n GLY 72 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1wh0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n GLY 74 N -1.55 3.34 0.20 0.00 0.00 -1.26 -5.00 105.19 100.91 1wh0 n GLY 74 Ca 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 46.02 45.08 1wh0 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 75 N 0.00 0.00 -0.62 1.61 0.13 -1.94 -2.61 132.00 128.57 1wh0 h PRO 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wh0 h PRO 75 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wh0 h PRO 75 CO 0.00 0.34 0.00 -2.39 -0.23 0.00 0.00 178.00 175.72 1wh0 n HIS 76 N -3.70 1.02 -3.21 1.56 1.44 -1.26 -4.46 115.22 106.61 1wh0 n HIS 76 Ca -0.01 -0.45 -0.42 0.00 -2.01 0.00 0.00 57.72 54.82 1wh0 n HIS 76 Cb 0.44 -0.10 -0.08 0.00 0.12 0.00 0.00 29.99 30.38 1wh0 n HIS 76 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wh0 s THR 77 N -1.45 4.96 0.18 0.61 2.01 -0.99 -5.03 115.64 115.92 1wh0 s THR 77 Ca 0.42 0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.16 1wh0 s THR 77 Cb 0.24 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 1wh0 s THR 77 CO 0.25 -0.43 1.57 -0.89 -0.69 0.00 0.00 174.62 174.43 1wh0 s THR 78 N 2.50 2.55 -0.17 -0.82 2.01 -1.26 -4.70 115.64 115.74 1wh0 s THR 78 Ca 0.18 0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1wh0 s THR 78 Cb -0.15 -3.26 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 1wh0 s THR 78 CO 0.16 0.04 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.65 1wh0 s PHE 79 N 0.99 2.85 -0.29 4.92 0.08 -1.23 -1.86 117.98 123.43 1wh0 s PHE 79 Ca 0.69 -1.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 1wh0 s PHE 79 Cb -0.44 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1wh0 s PHE 79 CO 0.33 -0.49 0.04 0.50 -0.10 0.00 0.00 175.22 175.51 1wh0 s ARG 80 N 1.00 2.85 -0.47 0.44 3.52 0.86 -2.51 118.95 124.64 1wh0 s ARG 80 Ca -0.01 -1.00 -0.10 0.00 -0.13 0.00 0.00 55.73 54.49 1wh0 s ARG 80 Cb -0.15 -3.28 0.12 0.00 -1.56 0.00 0.00 34.95 30.08 1wh0 s ARG 80 CO -0.02 -0.50 0.35 -0.46 -0.81 0.00 0.00 175.30 173.86 1wh0 s TRP 81 N 1.41 3.41 -0.15 5.12 -0.00 -0.64 -0.04 118.94 128.05 1wh0 s TRP 81 Ca 0.00 -1.80 -0.12 0.00 -0.00 0.00 0.00 56.10 54.18 1wh0 s TRP 81 Cb -0.18 -3.48 -0.05 0.00 -0.00 0.00 0.00 33.47 29.77 1wh0 s TRP 81 CO 0.00 -0.98 0.24 -1.14 -0.00 0.00 0.00 176.95 175.07 1wh0 s GLN 82 N 1.38 4.07 0.02 5.86 0.74 -1.26 -0.85 119.66 129.62 1wh0 s GLN 82 Ca 0.05 0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.55 1wh0 s GLN 82 Cb -0.26 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 1wh0 s GLN 82 CO -0.00 0.39 -0.23 0.08 -0.55 0.00 0.00 175.29 174.97 1wh0 s VAL 83 N 0.05 1.83 -0.31 1.34 1.01 -1.15 -5.02 120.40 118.16 1wh0 s VAL 83 Ca 0.15 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 1wh0 s VAL 83 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1wh0 s VAL 83 CO 0.03 0.37 0.15 -0.75 0.00 0.00 0.00 175.10 174.91 1wh0 s LYS 84 N -0.92 3.33 -0.27 2.72 2.20 -1.26 -2.98 119.74 122.56 1wh0 s LYS 84 Ca 0.09 -0.73 -0.18 0.00 -0.36 0.00 0.00 55.97 54.79 1wh0 s LYS 84 Cb -0.09 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1wh0 s LYS 84 CO 0.01 -0.42 0.52 -0.51 -0.36 0.00 0.00 175.35 174.59 1wh0 s LEU 85 N 1.61 4.07 0.02 5.43 1.43 -1.06 -0.28 118.68 129.90 1wh0 s LEU 85 Ca 0.04 0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1wh0 s LEU 85 Cb -0.17 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1wh0 s LEU 85 CO 0.06 -0.30 1.05 0.03 0.23 0.00 0.00 176.35 177.42 1wh0 h ARG 86 N 8.05 -0.00 -7.26 1.70 2.47 -1.87 -3.42 114.38 114.05 1wh0 h ARG 86 Ca -0.29 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.97 1wh0 h ARG 86 Cb 1.14 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 29.55 1wh0 h ARG 86 CO 0.72 -0.00 0.18 -0.80 0.56 0.00 0.00 179.97 180.63 1wh0 s ASN 87 N -3.23 4.23 0.84 7.04 0.01 -1.26 -5.09 114.94 117.47 1wh0 s ASN 87 Ca -0.01 -0.09 -0.12 0.00 -0.71 0.00 0.00 52.86 51.93 1wh0 s ASN 87 Cb 0.01 -0.30 0.09 0.00 0.41 0.00 0.00 41.25 41.47 1wh0 s ASN 87 CO 0.06 -1.95 1.15 -0.76 -1.51 0.00 0.00 177.10 174.09 1wh0 s LEU 88 N -5.28 2.37 0.00 0.60 1.43 -1.26 -4.78 118.68 111.75 1wh0 s LEU 88 Ca 0.66 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1wh0 s LEU 88 Cb -0.06 -3.40 0.01 0.00 0.03 0.00 0.00 46.19 42.77 1wh0 s LEU 88 CO 0.46 -2.09 0.51 2.30 0.23 0.00 0.00 176.35 177.75 1wh0 n ILE 89 N -3.46 0.00 -3.92 -0.59 -5.35 0.23 -3.14 119.36 103.12 1wh0 n ILE 89 Ca 0.07 -1.70 -0.32 0.00 -0.27 0.00 0.00 62.75 60.54 1wh0 n ILE 89 Cb 0.60 1.08 -0.13 0.00 -1.74 0.00 0.00 39.64 39.44 1wh0 n ILE 89 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1wh0 s GLU 90 N -2.73 1.92 0.44 6.28 8.01 0.15 -4.68 118.70 128.09 1wh0 s GLU 90 Ca 0.28 -2.34 0.30 0.00 0.01 0.00 0.00 54.97 53.22 1wh0 s GLU 90 Cb -0.01 -3.37 1.24 0.00 -4.31 0.00 0.00 34.13 27.68 1wh0 s GLU 90 CO 0.20 -1.07 1.89 -1.00 0.01 0.00 0.00 175.26 175.29 1wh0 h PRO 91 N 7.01 0.00 0.00 0.39 0.13 -1.83 -2.62 132.00 135.08 1wh0 h PRO 91 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wh0 h PRO 91 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1wh0 h PRO 91 CO 0.64 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.34 1wh0 h GLU 92 N 0.00 0.00 0.00 0.86 5.08 -1.91 -2.92 114.58 115.69 1wh0 h GLU 92 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wh0 h GLU 92 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wh0 h GLU 92 CO 0.00 0.00 -1.20 1.04 -1.00 0.00 0.00 179.01 177.85 1wh0 n GLN 93 N -2.98 1.28 -1.66 2.33 6.02 -1.01 -5.02 117.38 116.33 1wh0 n GLN 93 Ca 0.01 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.55 1wh0 n GLN 93 Cb 0.28 -1.18 0.06 0.00 1.02 0.00 0.00 30.24 30.41 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh0 s THR 95 N -1.44 0.84 -0.07 0.00 -4.23 -0.56 -4.98 115.64 105.19 1wh0 s THR 95 Ca 0.77 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1wh0 s THR 95 Cb -0.41 -0.75 0.03 0.00 1.34 0.00 0.00 72.50 72.71 1wh0 s THR 95 CO 0.45 0.05 0.01 0.72 -0.54 0.00 0.00 174.62 175.31 1wh0 s PHE 96 N -0.61 0.59 -0.12 3.99 -0.12 -1.26 -0.33 117.98 120.11 1wh0 s PHE 96 Ca 0.01 -0.12 -0.08 0.00 -0.05 0.00 0.00 56.93 56.69 1wh0 s PHE 96 Cb -0.06 -0.76 0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1wh0 s PHE 96 CO 0.00 -0.31 0.31 0.00 -0.05 0.00 0.00 175.22 175.17 1wh0 s PHE 98 N 0.84 2.88 0.15 0.00 0.40 -1.26 -0.72 117.98 120.27 1wh0 s PHE 98 Ca -0.06 1.49 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 1wh0 s PHE 98 Cb -0.06 -2.98 -0.00 0.00 0.51 0.00 0.00 43.02 40.48 1wh0 s PHE 98 CO -0.06 -1.43 0.03 0.25 0.70 0.00 0.00 175.22 174.72 1wh0 n THR 99 N -3.00 0.00 0.00 0.64 -2.24 0.49 -4.77 114.28 105.40 1wh0 n THR 99 Ca 0.08 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1wh0 n THR 99 Cb 0.53 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1wh0 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh0 n ALA 100 N -2.38 -0.02 -1.16 6.98 0.00 -1.26 -3.74 120.51 118.93 1wh0 n ALA 100 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1wh0 n ALA 100 Cb 0.21 0.34 0.12 0.00 0.00 0.00 0.00 19.45 20.12 1wh0 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wh0 n SER 101 N -1.91 2.04 -3.98 0.00 3.41 -1.26 -4.89 113.62 107.04 1wh0 n SER 101 Ca 0.00 -2.92 -0.09 0.00 -0.26 0.00 0.00 58.87 55.60 1wh0 n SER 101 Cb 0.00 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 1wh0 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh0 s ARG 102 N -2.46 1.39 0.02 4.33 1.70 -1.20 -2.63 118.95 120.11 1wh0 s ARG 102 Ca 0.27 -1.22 0.04 0.00 -0.47 0.00 0.00 55.73 54.35 1wh0 s ARG 102 Cb 0.24 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1wh0 s ARG 102 CO 0.03 -0.56 -0.09 0.42 -1.08 0.00 0.00 175.30 174.02 1wh0 s ILE 103 N -4.00 3.46 -0.07 4.99 1.01 -0.61 0.18 121.20 126.17 1wh0 s ILE 103 Ca 0.21 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1wh0 s ILE 103 Cb 0.01 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1wh0 s ILE 103 CO 0.06 0.35 -0.15 1.51 0.00 0.00 0.00 174.94 176.70 1wh0 s ASP 104 N -1.52 3.91 -0.17 3.58 1.47 0.10 -1.74 116.67 122.29 1wh0 s ASP 104 Ca 0.17 -0.26 -0.04 0.00 1.18 0.00 0.00 52.55 53.60 1wh0 s ASP 104 Cb -0.11 -1.02 0.08 0.00 -0.34 0.00 0.00 42.92 41.53 1wh0 s ASP 104 CO 0.08 0.29 0.17 -0.63 0.68 0.00 0.00 175.17 175.76 1wh0 s ILE 105 N -0.41 -0.24 -0.40 2.11 1.01 -1.05 -1.32 121.20 120.89 1wh0 s ILE 105 Ca 0.05 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 1wh0 s ILE 105 Cb -0.12 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1wh0 s ILE 105 CO 0.02 -0.17 0.60 0.00 0.00 0.00 0.00 174.94 175.38 1wh0 s LEU 107 N 2.65 4.12 -0.86 0.00 1.43 -0.09 -1.50 118.68 124.42 1wh0 s LEU 107 Ca 0.21 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 1wh0 s LEU 107 Cb -0.15 -2.17 0.17 0.00 0.03 0.00 0.00 46.19 44.08 1wh0 s LEU 107 CO 0.16 -0.11 0.94 -0.60 0.23 0.00 0.00 176.35 176.98 1wh0 s ARG 108 N 1.80 3.57 0.74 1.70 6.06 -1.26 -2.02 118.95 129.54 1wh0 s ARG 108 Ca 0.08 -2.06 -0.14 0.00 -2.50 0.00 0.00 55.73 51.12 1wh0 s ARG 108 Cb -0.16 -4.66 0.04 0.00 0.06 0.00 0.00 34.95 30.23 1wh0 s ARG 108 CO 0.11 -1.54 1.15 0.15 -2.50 0.00 0.00 175.30 172.67 1wh0 s LYS 109 N 1.54 2.23 -0.05 5.12 1.02 -0.39 0.35 119.74 129.55 1wh0 s LYS 109 Ca 0.25 1.52 -0.26 0.00 0.02 0.00 0.00 55.97 57.49 1wh0 s LYS 109 Cb -0.08 -1.87 -0.21 0.00 -0.52 0.00 0.00 37.83 35.14 1wh0 s LYS 109 CO -0.08 -1.72 1.15 0.00 -0.92 0.00 0.00 175.35 173.77 1wh0 h ARG 110 N -0.52 0.03 -6.33 1.68 3.08 -1.83 -3.43 114.38 107.05 1wh0 h ARG 110 Ca -0.46 -0.02 -0.45 0.00 0.07 0.00 0.00 59.98 59.12 1wh0 h ARG 110 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1wh0 h ARG 110 CO 0.50 0.64 -0.32 -0.65 -1.07 0.00 0.00 179.97 179.08 1wh0 s GLN 111 N -3.74 2.77 -0.78 0.04 -0.21 -1.26 -5.03 119.66 111.46 1wh0 s GLN 111 Ca -0.17 -1.30 -0.02 0.00 0.02 0.00 0.00 55.36 53.90 1wh0 s GLN 111 Cb 0.01 -2.64 0.38 0.00 1.00 0.00 0.00 33.01 31.76 1wh0 s GLN 111 CO 0.69 -0.18 2.01 0.43 -2.12 0.00 0.00 175.29 176.11 1wh0 n SER 112 N -1.71 7.53 -4.06 5.90 7.64 -1.26 -4.68 113.62 122.97 1wh0 n SER 112 Ca 0.05 -3.82 -0.27 0.00 1.01 0.00 0.00 58.87 55.84 1wh0 n SER 112 Cb 0.60 -1.02 -0.17 0.00 -1.01 0.00 0.00 64.21 62.61 1wh0 n SER 112 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1wh0 s GLN 113 N -3.98 2.04 0.30 1.43 2.00 -1.26 -4.95 119.66 115.24 1wh0 s GLN 113 Ca 0.56 -0.52 -0.28 0.00 -2.00 0.00 0.00 55.36 53.12 1wh0 s GLN 113 Cb 0.46 -1.66 -0.09 0.00 0.80 0.00 0.00 33.01 32.51 1wh0 s GLN 113 CO -0.28 0.03 1.01 -0.98 -0.50 0.00 0.00 175.29 174.58 1wh0 s ARG 114 N 0.68 4.60 -0.19 1.67 1.70 -1.26 -4.94 118.95 121.21 1wh0 s ARG 114 Ca -0.14 1.57 0.08 0.00 -0.47 0.00 0.00 55.73 56.77 1wh0 s ARG 114 Cb -0.16 -3.01 0.55 0.00 -0.57 0.00 0.00 34.95 31.75 1wh0 s ARG 114 CO 0.04 0.24 1.40 0.91 -1.08 0.00 0.00 175.30 176.81 1wh0 n TRP 115 N 0.91 1.55 -2.20 5.89 8.01 -1.26 -4.88 117.44 125.46 1wh0 n TRP 115 Ca 0.00 -0.65 -0.18 0.00 -1.31 0.00 0.00 57.50 55.36 1wh0 n TRP 115 Cb 0.47 -0.44 -0.02 0.00 -2.01 0.00 0.00 31.31 29.30 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wh0 n GLY 116 N 0.25 0.03 0.00 6.99 0.00 -1.26 -4.78 105.19 106.41 1wh0 n GLY 116 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1wh0 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 117 N -0.80 3.30 0.12 -0.02 0.00 -1.26 -5.02 105.19 101.51 1wh0 n GLY 117 Ca -0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1wh0 n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wh0 n LEU 118 N 0.00 -0.32 -4.77 0.99 7.94 -1.26 -4.32 117.00 115.26 1wh0 n LEU 118 Ca 0.00 1.05 -0.39 0.00 -1.11 0.00 0.00 56.01 55.55 1wh0 n LEU 118 Cb 0.00 -0.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.61 1wh0 n LEU 118 CO 0.00 -0.69 0.91 -1.61 -1.11 0.00 0.00 177.39 174.89 1wh0 s GLU 119 N -3.88 4.14 0.33 1.96 2.02 -1.26 -4.40 118.70 117.61 1wh0 s GLU 119 Ca -0.04 2.04 -0.27 0.00 0.02 0.00 0.00 54.97 56.73 1wh0 s GLU 119 Cb 0.03 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.33 1wh0 s GLU 119 CO 0.18 -0.31 1.02 0.00 0.02 0.00 0.00 175.26 176.17 1wh0 s ALA 120 N -1.27 3.23 1.07 5.21 0.00 0.62 -4.89 121.76 125.72 1wh0 s ALA 120 Ca 0.54 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 53.13 1wh0 s ALA 120 Cb -0.36 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.60 1wh0 s ALA 120 CO 0.46 -0.04 0.30 -0.35 0.00 0.00 0.00 175.76 176.13 1wh0 n PRO 121 N 0.59 -1.61 -2.97 0.00 -0.04 -1.26 -4.60 135.00 125.11 1wh0 n PRO 121 Ca 0.02 -0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 62.88 1wh0 n PRO 121 Cb 0.48 -0.45 0.06 0.00 -0.04 0.00 0.00 33.50 33.56 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 n ALA 122 N -3.52 -1.42 -2.28 0.55 0.00 -1.26 -5.04 120.51 107.54 1wh0 n ALA 122 Ca -0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1wh0 n ALA 122 Cb 0.16 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1wh0 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wh0 s ALA 123 N -3.25 1.56 -0.09 0.00 0.00 -1.26 -5.16 121.76 113.56 1wh0 s ALA 123 Ca 0.02 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.17 1wh0 s ALA 123 Cb -0.00 1.07 -0.03 0.00 0.00 0.00 0.00 23.12 24.17 1wh0 s ALA 123 CO 0.50 -0.48 -0.07 -0.98 0.00 0.00 0.00 175.76 174.73 1wh0 s ARG 124 N -4.05 3.02 -0.24 0.00 1.70 -1.26 -5.11 118.95 113.02 1wh0 s ARG 124 Ca 0.37 -0.57 -0.13 0.00 -0.47 0.00 0.00 55.73 54.93 1wh0 s ARG 124 Cb 0.08 -2.65 0.07 0.00 -0.57 0.00 0.00 34.95 31.88 1wh0 s ARG 124 CO 0.12 0.51 0.57 0.54 -1.08 0.00 0.00 175.30 175.97 1wh0 s VAL 125 N -0.39 -0.08 -0.30 4.99 0.11 -1.26 -5.14 120.40 118.33 1wh0 s VAL 125 Ca 0.06 0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 59.05 1wh0 s VAL 125 Cb -0.12 -0.84 0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1wh0 s VAL 125 CO 0.02 0.02 0.77 -0.83 -3.33 0.00 0.00 175.10 171.75 1wh0 s GLY 126 N 1.64 -0.60 0.00 6.54 0.00 -1.26 -5.03 107.32 108.61 1wh0 s GLY 126 Ca -0.09 2.48 0.00 0.00 0.00 0.00 0.00 44.72 47.10 1wh0 s GLY 126 CO -0.17 3.26 0.00 0.61 0.00 0.00 0.00 173.10 176.80 1wh0 n GLY 127 N 5.32 -0.28 3.27 0.20 0.00 -1.26 -5.11 105.19 107.33 1wh0 n GLY 127 Ca -0.08 0.22 -0.59 0.00 0.00 0.00 0.00 46.02 45.57 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n ALA 128 N 0.00 0.26 -2.62 4.61 0.00 -1.26 -4.87 120.51 116.63 1wh0 n ALA 128 Ca 0.00 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1wh0 n ALA 128 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 1wh0 n ALA 128 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wh0 s SER 129 N 6.15 6.92 0.00 0.00 0.01 -1.26 -5.07 113.70 120.45 1wh0 s SER 129 Ca 1.20 1.10 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1wh0 s SER 129 Cb -1.47 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 62.40 1wh0 s SER 129 CO 0.65 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1wh0 n GLY 130 N 2.87 2.58 3.77 3.44 0.00 -1.26 -5.10 105.19 111.50 1wh0 n GLY 130 Ca -0.05 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 1wh0 n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh0 s PRO 131 N -1.83 3.65 0.03 1.61 0.04 -1.26 -5.05 135.00 132.19 1wh0 s PRO 131 Ca 0.00 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 1wh0 s PRO 131 Cb 0.00 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.34 1wh0 s PRO 131 CO 0.00 -0.63 0.81 0.45 0.04 0.00 0.00 177.00 177.67 1wh0 s SER 132 N -1.48 -0.43 -1.29 6.66 0.15 -1.26 -4.96 113.70 111.09 1wh0 s SER 132 Ca 0.66 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 57.27 1wh0 s SER 132 Cb -0.27 0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 1wh0 s SER 132 CO 0.32 -0.70 0.23 -1.54 1.20 0.00 0.00 173.24 172.75 1wh0 n SER 133 N -0.18 -0.33 -0.58 5.45 3.41 -1.26 -5.34 113.62 114.80 1wh0 n SER 133 Ca -0.12 -0.95 0.14 0.00 -0.26 0.00 0.00 58.87 57.68 1wh0 n SER 133 Cb 0.62 -1.20 0.44 0.00 -0.26 0.00 0.00 64.21 63.81 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49