#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 s SER 2 N 0.00 3.34 -0.02 1.61 0.01 -1.26 -5.08 113.70 112.30 1wh0 s SER 2 Ca 0.00 -1.53 -0.23 0.00 1.31 0.00 0.00 55.95 55.50 1wh0 s SER 2 Cb 0.00 0.17 -0.17 0.00 0.21 0.00 0.00 66.02 66.24 1wh0 s SER 2 CO 0.00 -0.73 1.08 0.28 0.41 0.00 0.00 173.24 174.28 1wh0 h SER 3 N 1.73 -0.23 -6.29 2.44 0.02 -2.13 -3.48 113.55 105.61 1wh0 h SER 3 Ca -0.41 -0.29 -0.27 0.00 -0.84 0.00 0.00 61.79 59.98 1wh0 h SER 3 Cb 1.27 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.89 1wh0 h SER 3 CO 0.70 0.23 -1.11 0.61 -1.14 0.00 0.00 176.83 176.12 1wh0 n GLY 4 N 0.15 0.14 3.10 -3.77 0.00 -1.26 -4.99 105.19 98.56 1wh0 n GLY 4 Ca -0.09 0.80 -0.08 0.00 0.00 0.00 0.00 46.02 46.66 1wh0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh0 s SER 5 N -1.26 0.34 0.00 1.61 0.15 -1.26 -5.07 113.70 108.21 1wh0 s SER 5 Ca 0.27 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wh0 s SER 5 Cb -0.03 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wh0 s SER 5 CO 0.60 -0.57 0.00 -1.20 1.20 0.00 0.00 173.24 173.28 1wh0 n SER 6 N 0.38 0.42 0.00 5.45 7.64 -1.26 -5.12 113.62 121.14 1wh0 n SER 6 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wh0 n SER 6 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh0 n GLY 7 N 2.49 0.79 3.93 0.23 0.00 -1.26 -5.13 105.19 106.24 1wh0 n GLY 7 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1wh0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh0 s VAL 8 N 0.00 3.94 -0.36 1.61 0.11 -1.26 -4.96 120.40 119.47 1wh0 s VAL 8 Ca 0.00 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 58.54 1wh0 s VAL 8 Cb 0.00 -3.51 -0.09 0.00 -1.53 0.00 0.00 36.38 31.25 1wh0 s VAL 8 CO 0.00 -0.45 2.27 0.47 -3.33 0.00 0.00 175.10 174.06 1wh0 n ASP 9 N -2.33 2.48 -3.51 3.54 8.00 -1.26 -4.86 116.55 118.62 1wh0 n ASP 9 Ca 0.03 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 1wh0 n ASP 9 Cb 0.57 -1.41 0.02 0.00 -0.02 0.00 0.00 41.12 40.28 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wh0 n GLU 10 N 8.57 0.00 0.00 -1.24 1.02 -1.26 -4.73 120.64 123.00 1wh0 n GLU 10 Ca 0.38 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.59 1wh0 n GLU 10 Cb 0.36 -0.84 0.42 0.00 -0.02 0.00 0.00 31.44 31.35 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wh0 n PRO 11 N 1.57 0.49 -0.32 3.49 -0.04 -1.26 -3.92 135.00 135.00 1wh0 n PRO 11 Ca 0.04 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1wh0 n PRO 11 Cb 0.42 -1.45 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.95 -0.07 -0.09 0.54 0.28 -1.26 0.24 120.64 119.31 1wh0 n GLU 12 Ca 0.11 1.38 -0.02 0.00 -0.16 0.00 0.00 57.16 58.47 1wh0 n GLU 12 Cb 0.05 -2.22 0.22 0.00 1.43 0.00 0.00 31.44 30.92 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 0.69 -3.47 -1.84 0.87 -1.92 -3.43 113.55 104.45 1wh0 h SER 13 Ca 0.58 -0.12 -0.52 0.00 -1.23 0.00 0.00 61.79 60.50 1wh0 h SER 13 Cb 1.24 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1wh0 h SER 13 CO -0.86 0.70 -0.06 -0.32 -0.53 0.00 0.00 176.83 175.76 1wh0 s MET 14 N -5.15 3.80 0.05 2.24 -2.45 0.64 -4.84 119.30 113.60 1wh0 s MET 14 Ca -0.09 0.31 -0.19 0.00 -1.25 0.00 0.00 55.69 54.47 1wh0 s MET 14 Cb 0.15 -2.58 -0.06 0.00 1.25 0.00 0.00 34.83 33.59 1wh0 s MET 14 CO 0.79 0.23 0.55 0.08 1.05 0.00 0.00 175.02 177.72 1wh0 s VAL 15 N -1.95 4.81 -0.26 10.11 1.01 -0.43 -4.88 120.40 128.81 1wh0 s VAL 15 Ca 0.48 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 63.51 1wh0 s VAL 15 Cb -0.11 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1wh0 s VAL 15 CO 0.23 0.54 0.22 0.20 0.00 0.00 0.00 175.10 176.29 1wh0 s ASN 16 N -0.94 6.12 0.84 3.32 -0.87 -1.26 0.48 114.94 122.63 1wh0 s ASN 16 Ca 0.28 0.12 -0.12 0.00 -1.57 0.00 0.00 52.86 51.57 1wh0 s ASN 16 Cb -0.19 -2.14 0.10 0.00 -0.02 0.00 0.00 41.25 39.00 1wh0 s ASN 16 CO 0.18 -0.03 1.11 -0.76 -2.57 0.00 0.00 177.10 175.03 1wh0 s LEU 17 N 1.50 2.37 0.00 0.60 1.43 0.16 -4.83 118.68 119.90 1wh0 s LEU 17 Ca 0.09 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1wh0 s LEU 17 Cb -0.15 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1wh0 s LEU 17 CO 0.08 -2.22 0.00 0.00 0.23 0.00 0.00 176.35 174.45 1wh0 n ALA 18 N -3.58 1.57 -3.64 4.21 0.00 -1.26 -4.73 120.51 113.09 1wh0 n ALA 18 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 1wh0 n ALA 18 Cb 0.57 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.57 -1.32 -0.09 0.00 5.36 -1.26 -5.07 117.98 114.03 1wh0 s PHE 19 Ca 0.00 2.27 0.01 0.00 -0.96 0.00 0.00 56.93 58.25 1wh0 s PHE 19 Cb 0.00 0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 43.42 1wh0 s PHE 19 CO 0.00 -0.66 -0.12 0.08 -1.46 0.00 0.00 175.22 173.06 1wh0 s VAL 20 N 2.88 3.26 -0.81 3.12 1.01 -1.26 -5.05 120.40 123.55 1wh0 s VAL 20 Ca -0.05 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1wh0 s VAL 20 Cb -0.12 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1wh0 s VAL 20 CO -0.19 0.56 1.88 -0.75 0.00 0.00 0.00 175.10 176.60 1wh0 s LYS 21 N -0.29 2.65 0.13 2.72 2.36 -1.26 -4.91 119.74 121.13 1wh0 s LYS 21 Ca 0.03 -0.04 -0.05 0.00 -2.55 0.00 0.00 55.97 53.36 1wh0 s LYS 21 Cb -0.13 -4.83 -0.02 0.00 -1.05 0.00 0.00 37.83 31.80 1wh0 s LYS 21 CO 0.03 -3.08 0.14 0.54 1.55 0.00 0.00 175.35 174.53 1wh0 s ASN 22 N 7.79 0.21 -0.06 1.43 2.20 -1.26 0.03 114.94 125.29 1wh0 s ASN 22 Ca 0.67 -0.99 -0.00 0.00 -0.94 0.00 0.00 52.86 51.60 1wh0 s ASN 22 Cb -0.08 0.34 0.03 0.00 -2.00 0.00 0.00 41.25 39.53 1wh0 s ASN 22 CO 0.06 -0.77 -0.01 -0.62 -2.94 0.00 0.00 177.10 172.82 1wh0 s ASP 23 N -2.98 1.29 -0.19 3.54 2.15 0.13 -4.92 116.67 115.69 1wh0 s ASP 23 Ca 0.17 -0.09 -0.01 0.00 0.43 0.00 0.00 52.55 53.04 1wh0 s ASP 23 Cb 0.06 -0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.25 1wh0 s ASP 23 CO -0.02 -0.14 -0.12 -0.94 -0.17 0.00 0.00 175.17 173.78 1wh0 s SER 24 N 1.57 3.79 0.08 -0.34 1.04 -1.26 0.06 113.70 118.63 1wh0 s SER 24 Ca -0.01 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1wh0 s SER 24 Cb -0.13 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 1wh0 s SER 24 CO -0.03 0.02 0.08 -0.72 0.98 0.00 0.00 173.24 173.57 1wh0 s TYR 25 N 1.22 3.19 -0.38 5.02 1.13 -0.84 -4.97 117.35 121.71 1wh0 s TYR 25 Ca 0.02 0.08 -0.29 0.00 -1.41 0.00 0.00 57.07 55.47 1wh0 s TYR 25 Cb -0.14 -1.62 0.00 0.00 -1.10 0.00 0.00 41.96 39.10 1wh0 s TYR 25 CO -0.05 0.52 1.45 -1.21 -2.51 0.00 0.00 175.55 173.75 1wh0 s GLU 26 N -2.42 3.60 0.18 -3.49 2.02 -1.26 -3.07 118.70 114.26 1wh0 s GLU 26 Ca 0.29 1.05 0.09 0.00 0.02 0.00 0.00 54.97 56.43 1wh0 s GLU 26 Cb -0.12 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 1wh0 s GLU 26 CO 0.22 -1.53 -0.12 0.21 0.02 0.00 0.00 175.26 174.06 1wh0 s LYS 27 N 4.91 1.96 0.53 1.61 2.20 -0.94 -5.00 119.74 125.01 1wh0 s LYS 27 Ca 0.63 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1wh0 s LYS 27 Cb -0.15 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1wh0 s LYS 27 CO 0.32 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 1wh0 n GLY 28 N 0.07 -0.21 0.08 5.54 0.00 -1.26 -1.90 105.19 107.50 1wh0 n GLY 28 Ca -0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.07 0.00 1.61 0.13 -2.00 -3.37 132.00 128.30 1wh0 h PRO 29 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wh0 h PRO 29 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wh0 h PRO 29 CO 0.00 0.38 -0.06 -0.40 -0.23 0.00 0.00 178.00 177.69 1wh0 n ASP 30 N -4.90 1.62 -4.86 1.44 5.68 -1.26 -4.51 116.55 109.76 1wh0 n ASP 30 Ca -0.08 -2.26 -0.32 0.00 -0.50 0.00 0.00 54.79 51.62 1wh0 n ASP 30 Cb 0.25 -0.18 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1wh0 s SER 31 N -1.54 6.71 -0.25 -1.12 0.01 -0.80 -1.02 113.70 115.69 1wh0 s SER 31 Ca 0.12 1.15 -0.02 0.00 1.31 0.00 0.00 55.95 58.51 1wh0 s SER 31 Cb 0.10 -2.32 0.13 0.00 0.21 0.00 0.00 66.02 64.14 1wh0 s SER 31 CO 0.01 -0.17 0.33 -0.69 0.41 0.00 0.00 173.24 173.13 1wh0 s VAL 32 N -1.95 -0.50 0.08 3.43 1.01 -0.49 -2.22 120.40 119.76 1wh0 s VAL 32 Ca 0.52 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1wh0 s VAL 32 Cb -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1wh0 s VAL 32 CO 0.19 -0.25 0.63 -0.69 0.00 0.00 0.00 175.10 174.98 1wh0 s VAL 33 N 2.45 4.68 -0.08 2.92 1.01 -1.17 -0.87 120.40 129.34 1wh0 s VAL 33 Ca 0.10 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.49 1wh0 s VAL 33 Cb -0.15 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1wh0 s VAL 33 CO -0.22 0.51 -0.24 -0.69 0.00 0.00 0.00 175.10 174.46 1wh0 s VAL 34 N -0.90 2.06 -0.36 2.92 1.01 -0.87 -1.99 120.40 122.26 1wh0 s VAL 34 Ca 0.31 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1wh0 s VAL 34 Cb -0.20 -1.76 0.09 0.00 0.00 0.00 0.00 36.38 34.51 1wh0 s VAL 34 CO 0.21 0.56 0.11 -1.00 0.00 0.00 0.00 175.10 174.98 1wh0 s HIS 35 N 0.09 3.52 -0.19 5.22 3.76 0.11 -2.43 115.29 125.38 1wh0 s HIS 35 Ca -0.11 -2.37 -0.19 0.00 -0.15 0.00 0.00 55.06 52.23 1wh0 s HIS 35 Cb -0.16 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 1wh0 s HIS 35 CO 0.06 -0.92 0.53 0.08 -0.85 0.00 0.00 174.74 173.65 1wh0 s VAL 36 N 1.12 5.10 -0.63 -0.90 1.01 -0.46 0.17 120.40 125.82 1wh0 s VAL 36 Ca 0.04 0.99 -0.26 0.00 0.00 0.00 0.00 61.98 62.75 1wh0 s VAL 36 Cb -0.21 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1wh0 s VAL 36 CO -0.04 0.19 1.14 -0.31 0.00 0.00 0.00 175.10 176.08 1wh0 s TYR 37 N 1.52 2.56 -0.10 5.22 1.51 0.10 -1.16 117.35 127.01 1wh0 s TYR 37 Ca 0.25 0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 56.09 1wh0 s TYR 37 Cb -0.15 -4.43 0.12 0.00 -0.11 0.00 0.00 41.96 37.38 1wh0 s TYR 37 CO 0.10 -1.69 0.96 0.54 -1.11 0.00 0.00 175.55 174.35 1wh0 s VAL 38 N 4.86 0.00 0.28 0.71 0.11 -1.02 -4.75 120.40 120.58 1wh0 s VAL 38 Ca 0.36 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1wh0 s VAL 38 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1wh0 s VAL 38 CO 0.19 0.00 0.18 -0.54 -3.33 0.00 0.00 175.10 171.60 1wh0 s LYS 39 N -1.96 1.51 -1.24 1.54 1.02 -1.26 -2.99 119.74 116.36 1wh0 s LYS 39 Ca 0.01 -1.85 -0.09 0.00 0.02 0.00 0.00 55.97 54.07 1wh0 s LYS 39 Cb -0.01 0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1wh0 s LYS 39 CO -0.03 -0.47 0.70 0.39 -0.92 0.00 0.00 175.35 175.02 1wh0 n GLU 40 N -0.49 -2.86 -4.05 1.68 -0.58 -1.26 -3.64 120.64 109.44 1wh0 n GLU 40 Ca 0.03 0.53 -0.32 0.00 -0.42 0.00 0.00 57.16 56.99 1wh0 n GLU 40 Cb 0.65 -4.68 -0.06 0.00 -0.57 0.00 0.00 31.44 26.77 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 -3.62 4.76 -0.52 -3.67 1.01 -1.26 -0.63 121.20 117.27 1wh0 s ILE 41 Ca 0.23 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 1wh0 s ILE 41 Cb -0.07 -3.25 0.08 0.00 0.01 0.00 0.00 42.46 39.23 1wh0 s ILE 41 CO 0.84 0.22 0.55 0.00 0.00 0.00 0.00 174.94 176.55 1wh0 n ARG 43 N 5.76 0.07 0.05 0.00 1.74 -1.26 -0.83 116.66 122.19 1wh0 n ARG 43 Ca -0.10 0.24 -0.14 0.00 -0.77 0.00 0.00 57.85 57.08 1wh0 n ARG 43 Cb 0.44 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.27 -0.15 0.55 3.32 -1.99 -3.35 116.42 115.07 1wh0 h ASP 44 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1wh0 h ASP 44 Cb 0.18 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1wh0 h ASP 44 CO 0.00 1.33 0.00 0.35 -1.72 0.00 0.00 179.24 179.20 1wh0 n THR 45 N -3.37 1.79 -4.09 0.35 -2.24 -0.93 -4.95 114.28 100.83 1wh0 n THR 45 Ca -0.15 -1.75 -0.32 0.00 -2.27 0.00 0.00 64.05 59.55 1wh0 n THR 45 Cb 1.03 -0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.97 3.42 0.45 3.42 0.01 -0.01 -4.31 113.70 114.72 1wh0 s SER 46 Ca 0.30 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.76 1wh0 s SER 46 Cb 0.24 -1.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1wh0 s SER 46 CO 0.07 -0.06 0.12 0.00 0.41 0.00 0.00 173.24 173.77 1wh0 s ARG 47 N 1.27 2.06 -0.07 12.44 1.70 0.38 -4.77 118.95 131.97 1wh0 s ARG 47 Ca 0.01 -2.30 -0.03 0.00 -0.47 0.00 0.00 55.73 52.95 1wh0 s ARG 47 Cb -0.15 -0.78 0.04 0.00 -0.57 0.00 0.00 34.95 33.50 1wh0 s ARG 47 CO -0.11 -0.52 0.12 0.08 -1.08 0.00 0.00 175.30 173.80 1wh0 s VAL 48 N -3.10 -0.17 -0.35 4.99 1.01 -1.26 -0.89 120.40 120.62 1wh0 s VAL 48 Ca 0.16 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 1wh0 s VAL 48 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1wh0 s VAL 48 CO 0.12 0.14 0.39 -0.76 0.00 0.00 0.00 175.10 174.99 1wh0 s LEU 49 N 1.99 4.47 -0.45 3.92 2.01 0.19 -4.96 118.68 125.85 1wh0 s LEU 49 Ca 0.01 -0.25 -0.17 0.00 0.01 0.00 0.00 54.13 53.72 1wh0 s LEU 49 Cb -0.12 -2.38 0.04 0.00 0.01 0.00 0.00 46.19 43.74 1wh0 s LEU 49 CO -0.05 -0.38 0.48 -0.36 1.01 0.00 0.00 176.35 177.04 1wh0 s PHE 50 N 2.08 3.15 0.53 0.29 0.08 -1.26 -0.10 117.98 122.75 1wh0 s PHE 50 Ca 0.13 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 1wh0 s PHE 50 Cb -0.16 -3.08 0.11 0.00 -0.57 0.00 0.00 43.02 39.31 1wh0 s PHE 50 CO 0.12 -0.79 0.72 0.54 -0.10 0.00 0.00 175.22 175.71 1wh0 n ARG 51 N 5.68 0.05 0.10 0.44 5.12 0.10 -4.59 116.66 123.57 1wh0 n ARG 51 Ca -0.08 -1.92 -0.23 0.00 -1.93 0.00 0.00 57.85 53.69 1wh0 n ARG 51 Cb 0.46 -0.50 -0.15 0.00 -1.16 0.00 0.00 32.46 31.11 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 0.45 0.00 5.56 4.11 -1.98 -3.32 114.58 119.40 1wh0 h GLU 52 Ca -0.24 -0.76 -0.00 0.00 0.07 0.00 0.00 59.36 58.43 1wh0 h GLU 52 Cb 0.87 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wh0 h GLU 52 CO 0.25 1.36 -0.09 0.94 0.07 0.00 0.00 179.01 181.54 1wh0 n GLN 53 N -3.63 1.25 -3.55 1.06 7.27 -1.26 0.11 117.38 118.62 1wh0 n GLN 53 Ca -0.22 -2.59 -0.02 0.00 0.07 0.00 0.00 57.00 54.25 1wh0 n GLN 53 Cb 1.09 -1.46 0.02 0.00 2.41 0.00 0.00 30.24 32.30 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 -1.32 -1.45 -3.47 1.69 5.75 -1.26 -2.58 116.55 113.91 1wh0 n ASP 54 Ca 0.16 -1.73 0.01 0.00 -0.01 0.00 0.00 54.79 53.21 1wh0 n ASP 54 Cb 0.65 2.36 -0.03 0.00 -1.03 0.00 0.00 41.12 43.07 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 -2.60 -1.14 -0.05 2.11 -0.12 -1.17 -0.72 117.98 114.29 1wh0 s PHE 55 Ca 0.20 1.79 -0.04 0.00 -0.05 0.00 0.00 56.93 58.83 1wh0 s PHE 55 Cb -0.02 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 1wh0 s PHE 55 CO 0.04 -0.58 0.14 0.99 -0.05 0.00 0.00 175.22 175.76 1wh0 s THR 56 N 2.76 5.25 -0.24 -4.49 2.01 0.86 -2.71 115.64 119.08 1wh0 s THR 56 Ca -0.00 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1wh0 s THR 56 Cb -0.11 -3.37 0.06 0.00 0.01 0.00 0.00 72.50 69.09 1wh0 s THR 56 CO -0.18 0.44 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.92 1wh0 s LEU 57 N -1.53 2.71 -0.30 4.42 2.96 0.79 0.56 118.68 128.28 1wh0 s LEU 57 Ca 0.21 -1.24 -0.09 0.00 -0.22 0.00 0.00 54.13 52.80 1wh0 s LEU 57 Cb -0.12 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 1wh0 s LEU 57 CO 0.12 -0.24 0.12 -0.63 -1.32 0.00 0.00 176.35 174.40 1wh0 s ILE 58 N 1.36 4.38 -0.11 6.68 1.09 -0.07 -1.76 121.20 132.77 1wh0 s ILE 58 Ca -0.05 -0.50 -0.14 0.00 -1.10 0.00 0.00 60.65 58.86 1wh0 s ILE 58 Cb -0.19 -3.23 0.04 0.00 -1.06 0.00 0.00 42.46 38.02 1wh0 s ILE 58 CO -0.07 0.09 0.38 0.72 -0.10 0.00 0.00 174.94 175.96 1wh0 s PHE 59 N 1.58 -0.38 -0.41 3.97 -0.12 -1.16 0.14 117.98 121.60 1wh0 s PHE 59 Ca 0.04 0.87 -0.12 0.00 -0.05 0.00 0.00 56.93 57.67 1wh0 s PHE 59 Cb -0.17 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1wh0 s PHE 59 CO 0.05 -0.26 0.27 -0.65 -0.05 0.00 0.00 175.22 174.58 1wh0 s GLN 60 N -0.19 2.81 0.00 1.99 -0.21 -1.26 -3.49 119.66 119.30 1wh0 s GLN 60 Ca -0.03 -1.23 -0.02 0.00 0.02 0.00 0.00 55.36 54.10 1wh0 s GLN 60 Cb -0.03 -3.85 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 1wh0 s GLN 60 CO 0.02 -0.84 0.17 -0.08 -2.12 0.00 0.00 175.29 172.44 1wh0 s THR 61 N 1.55 5.34 -0.11 -0.19 -1.32 -1.26 -2.34 115.64 117.31 1wh0 s THR 61 Ca 0.03 -0.22 0.14 0.00 -1.21 0.00 0.00 61.69 60.43 1wh0 s THR 61 Cb -0.21 -3.51 0.28 0.00 -1.51 0.00 0.00 72.50 67.55 1wh0 s THR 61 CO 0.06 0.30 1.14 -2.11 -2.21 0.00 0.00 174.62 171.80 1wh0 n ARG 62 N 0.87 1.01 -2.82 7.08 1.85 0.20 -4.21 116.66 120.64 1wh0 n ARG 62 Ca -0.10 -2.42 -0.43 0.00 -1.00 0.00 0.00 57.85 53.89 1wh0 n ARG 62 Cb 0.52 -1.22 -0.04 0.00 -1.05 0.00 0.00 32.46 30.67 1wh0 n ARG 62 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1wh0 s ASP 63 N -2.55 6.45 0.58 2.89 2.15 -1.24 -4.89 116.67 120.05 1wh0 s ASP 63 Ca 0.28 -0.03 0.35 0.00 0.43 0.00 0.00 52.55 53.58 1wh0 s ASP 63 Cb 0.26 -2.45 1.33 0.00 -0.30 0.00 0.00 42.92 41.76 1wh0 s ASP 63 CO -0.02 -1.11 1.55 1.23 -0.17 0.00 0.00 175.17 176.65 1wh0 h GLY 64 N 10.71 0.00 1.27 2.66 0.00 -1.95 1.12 103.07 116.88 1wh0 h GLY 64 Ca -0.25 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 1wh0 h GLY 64 CO 1.05 0.00 -0.40 3.43 0.00 0.00 0.00 176.54 180.62 1wh0 h ASN 65 N 0.00 0.85 0.35 0.19 2.35 -1.97 0.41 115.58 117.76 1wh0 h ASN 65 Ca 0.57 -0.39 -0.32 0.00 -0.55 0.00 0.00 56.30 55.61 1wh0 h ASN 65 Cb 2.75 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 40.88 1wh0 h ASN 65 CO -0.01 1.14 -1.65 0.15 -1.65 0.00 0.00 177.43 175.42 1wh0 h PHE 66 N 0.65 0.50 0.09 1.19 3.04 0.78 -3.36 116.94 119.83 1wh0 h PHE 66 Ca 0.05 -0.36 -0.00 0.00 3.98 0.00 0.00 57.97 61.63 1wh0 h PHE 66 Cb 0.96 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1wh0 h PHE 66 CO 0.05 1.48 -0.04 -0.07 -2.02 0.00 0.00 178.31 177.71 1wh0 h LEU 67 N 0.07 -0.11 -1.05 0.59 3.38 -0.84 -3.14 115.31 114.22 1wh0 h LEU 67 Ca -0.29 -0.37 0.40 0.00 0.09 0.00 0.00 57.88 57.70 1wh0 h LEU 67 Cb 2.04 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 42.65 1wh0 h LEU 67 CO 0.15 0.34 0.59 0.03 0.09 0.00 0.00 178.44 179.64 1wh0 h ARG 68 N -0.58 0.10 -0.74 1.13 3.08 -1.08 1.13 114.38 117.41 1wh0 h ARG 68 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1wh0 h ARG 68 Cb 0.47 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1wh0 h ARG 68 CO 0.02 0.06 0.34 -0.07 -1.07 0.00 0.00 179.97 179.26 1wh0 h LEU 69 N 0.10 0.99 -7.75 3.04 3.38 -1.68 -3.35 115.31 110.03 1wh0 h LEU 69 Ca 0.82 -0.14 -0.75 0.00 0.09 0.00 0.00 57.88 57.89 1wh0 h LEU 69 Cb 2.14 -0.25 -0.30 0.00 0.09 0.00 0.00 40.66 42.34 1wh0 h LEU 69 CO -0.68 0.85 -0.12 -1.00 0.09 0.00 0.00 178.44 177.58 1wh0 s HIS 70 N -5.67 3.59 0.74 1.13 3.76 0.39 -5.07 115.29 114.16 1wh0 s HIS 70 Ca -0.13 -2.22 -0.12 0.00 -0.15 0.00 0.00 55.06 52.45 1wh0 s HIS 70 Cb 0.15 -3.57 0.04 0.00 1.11 0.00 0.00 32.58 30.31 1wh0 s HIS 70 CO 0.82 -0.94 1.10 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.23 2.40 0.00 8.40 0.04 -1.25 -3.57 135.00 141.25 1wh0 s PRO 71 Ca 0.16 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1wh0 s PRO 71 Cb -0.16 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wh0 s PRO 71 CO -0.06 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1wh0 n GLY 72 N -1.03 2.24 3.79 0.56 0.00 -1.26 -5.01 105.19 104.49 1wh0 n GLY 72 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.38 3.87 0.20 0.00 0.00 -1.26 -5.01 105.19 101.61 1wh0 n GLY 74 Ca -0.07 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.45 1.61 0.13 -1.91 -2.57 132.00 128.81 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 0.32 0.00 -2.39 -0.23 0.00 0.00 178.00 175.70 1wh0 n HIS 76 N -3.66 0.59 -3.20 1.56 1.44 -1.26 -4.44 115.22 106.24 1wh0 n HIS 76 Ca -0.01 -0.29 -0.42 0.00 -2.01 0.00 0.00 57.72 54.99 1wh0 n HIS 76 Cb 0.44 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.41 4.97 0.44 0.61 2.01 -0.97 -5.05 115.64 116.24 1wh0 s THR 77 Ca 0.37 0.35 -0.25 0.00 0.31 0.00 0.00 61.69 62.47 1wh0 s THR 77 Cb 0.20 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1wh0 s THR 77 CO 0.27 -0.28 1.28 -0.89 -0.69 0.00 0.00 174.62 174.31 1wh0 s THR 78 N 2.50 2.66 -0.15 -0.82 2.01 -1.26 -4.67 115.64 115.91 1wh0 s THR 78 Ca 0.20 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1wh0 s THR 78 Cb -0.15 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1wh0 s THR 78 CO 0.14 0.05 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.63 1wh0 s PHE 79 N -1.33 2.09 -0.35 4.92 0.08 -1.23 -1.31 117.98 120.85 1wh0 s PHE 79 Ca 0.60 -1.17 -0.11 0.00 0.12 0.00 0.00 56.93 56.37 1wh0 s PHE 79 Cb -0.36 -1.55 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1wh0 s PHE 79 CO 0.45 -0.65 0.19 0.50 -0.10 0.00 0.00 175.22 175.62 1wh0 s ARG 80 N 1.51 3.11 -0.43 0.44 3.52 0.18 -2.98 118.95 124.30 1wh0 s ARG 80 Ca 0.05 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 54.67 1wh0 s ARG 80 Cb -0.13 -3.69 0.08 0.00 -1.56 0.00 0.00 34.95 29.66 1wh0 s ARG 80 CO -0.10 -0.56 0.27 -0.46 -0.81 0.00 0.00 175.30 173.64 1wh0 s TRP 81 N 1.60 3.35 -0.19 5.12 -0.00 -0.72 0.37 118.94 128.47 1wh0 s TRP 81 Ca 0.04 -1.57 -0.06 0.00 -0.00 0.00 0.00 56.10 54.51 1wh0 s TRP 81 Cb -0.18 -3.03 -0.03 0.00 -0.00 0.00 0.00 33.47 30.23 1wh0 s TRP 81 CO 0.07 -0.87 0.02 -1.14 -0.00 0.00 0.00 176.95 175.03 1wh0 s GLN 82 N 1.42 3.75 -0.07 5.86 0.74 -1.26 -0.15 119.66 129.95 1wh0 s GLN 82 Ca 0.03 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.02 1wh0 s GLN 82 Cb -0.23 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1wh0 s GLN 82 CO 0.02 0.13 -0.17 0.08 -0.55 0.00 0.00 175.29 174.80 1wh0 s VAL 83 N 0.72 2.78 -0.36 1.34 1.01 -1.10 -5.01 120.40 119.78 1wh0 s VAL 83 Ca 0.01 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1wh0 s VAL 83 Cb -0.14 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1wh0 s VAL 83 CO 0.02 0.57 0.41 -0.75 0.00 0.00 0.00 175.10 175.35 1wh0 s LYS 84 N -0.33 3.50 -0.14 2.72 2.20 -1.26 -3.03 119.74 123.40 1wh0 s LYS 84 Ca 0.02 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.04 1wh0 s LYS 84 Cb -0.13 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1wh0 s LYS 84 CO 0.02 -0.61 0.47 -0.51 -0.36 0.00 0.00 175.35 174.37 1wh0 s LEU 85 N 2.12 4.24 0.01 5.43 1.43 -1.07 0.19 118.68 131.04 1wh0 s LEU 85 Ca 0.13 0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1wh0 s LEU 85 Cb -0.16 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1wh0 s LEU 85 CO 0.12 -0.04 1.06 0.03 0.23 0.00 0.00 176.35 177.76 1wh0 h ARG 86 N 6.90 -0.09 -7.74 1.70 2.47 -1.86 -3.44 114.38 112.31 1wh0 h ARG 86 Ca -0.39 0.01 -0.45 0.00 -1.26 0.00 0.00 59.98 57.89 1wh0 h ARG 86 Cb 1.17 0.02 0.16 0.00 -1.65 0.00 0.00 29.97 29.67 1wh0 h ARG 86 CO 0.75 -0.06 0.38 1.21 0.56 0.00 0.00 179.97 182.81 1wh0 s ASN 87 N -2.61 3.16 0.72 7.04 3.84 -1.26 -5.08 114.94 120.76 1wh0 s ASN 87 Ca -0.02 0.12 -0.09 0.00 0.21 0.00 0.00 52.86 53.09 1wh0 s ASN 87 Cb 0.01 -0.17 0.05 0.00 -0.55 0.00 0.00 41.25 40.59 1wh0 s ASN 87 CO 0.07 -2.69 1.06 -0.76 -2.79 0.00 0.00 177.10 171.99 1wh0 s LEU 88 N -5.81 2.79 0.26 3.21 1.43 -1.26 -4.78 118.68 114.52 1wh0 s LEU 88 Ca 0.74 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 1wh0 s LEU 88 Cb -0.03 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 1wh0 s LEU 88 CO 0.52 -1.57 0.47 0.27 0.23 0.00 0.00 176.35 176.27 1wh0 s ILE 89 N -3.33 0.00 -0.41 -0.59 -4.36 0.30 -3.69 121.20 109.11 1wh0 s ILE 89 Ca 0.59 -1.43 -0.01 0.00 -0.26 0.00 0.00 60.65 59.54 1wh0 s ILE 89 Cb -0.11 -2.26 0.11 0.00 1.25 0.00 0.00 42.46 41.46 1wh0 s ILE 89 CO 0.47 0.00 0.19 -1.61 0.24 0.00 0.00 174.94 174.24 1wh0 s GLU 90 N -3.92 1.94 0.13 0.37 0.41 -0.02 -4.56 118.70 113.05 1wh0 s GLU 90 Ca 0.23 -1.90 0.19 0.00 -0.41 0.00 0.00 54.97 53.08 1wh0 s GLU 90 Cb -0.01 -3.52 0.79 0.00 -1.78 0.00 0.00 34.13 29.62 1wh0 s GLU 90 CO 0.10 -1.06 1.58 -0.35 -0.49 0.00 0.00 175.26 175.04 1wh0 n PRO 91 N 4.42 0.10 0.24 0.39 -0.04 -1.25 -2.42 135.00 136.44 1wh0 n PRO 91 Ca -0.00 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 63.96 1wh0 n PRO 91 Cb 0.41 -1.68 0.60 0.00 -0.04 0.00 0.00 33.50 32.78 1wh0 n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wh0 h GLU 92 N 0.00 0.00 0.00 0.54 5.08 -1.91 -3.12 114.58 115.17 1wh0 h GLU 92 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1wh0 h GLU 92 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1wh0 h GLU 92 CO 0.00 0.00 -1.80 1.04 -1.00 0.00 0.00 179.01 177.25 1wh0 n GLN 93 N -2.93 1.25 -0.76 2.33 1.13 -1.02 -5.02 117.38 112.36 1wh0 n GLN 93 Ca 0.01 -0.06 -0.33 0.00 -1.94 0.00 0.00 57.00 54.68 1wh0 n GLN 93 Cb 0.32 -1.34 0.13 0.00 0.11 0.00 0.00 30.24 29.47 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wh0 s THR 95 N -2.24 0.00 -0.10 0.00 -4.23 -0.89 -4.99 115.64 103.19 1wh0 s THR 95 Ca 0.53 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1wh0 s THR 95 Cb -0.13 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.74 1wh0 s THR 95 CO 0.68 -0.00 -0.13 0.72 -0.54 0.00 0.00 174.62 175.34 1wh0 s PHE 96 N -0.23 1.76 -0.16 3.99 -0.12 -1.26 -1.31 117.98 120.65 1wh0 s PHE 96 Ca -0.04 -0.78 -0.07 0.00 -0.05 0.00 0.00 56.93 55.98 1wh0 s PHE 96 Cb -0.03 -1.29 0.06 0.00 -0.63 0.00 0.00 43.02 41.13 1wh0 s PHE 96 CO 0.04 -0.42 0.36 0.00 -0.05 0.00 0.00 175.22 175.15 1wh0 s PHE 98 N 1.75 2.81 0.19 0.00 0.40 -1.26 -1.16 117.98 120.71 1wh0 s PHE 98 Ca -0.07 1.51 0.01 0.00 -0.60 0.00 0.00 56.93 57.79 1wh0 s PHE 98 Cb -0.10 -3.04 -0.00 0.00 0.51 0.00 0.00 43.02 40.39 1wh0 s PHE 98 CO -0.11 -1.46 0.04 0.25 0.70 0.00 0.00 175.22 174.63 1wh0 n THR 99 N -2.71 0.00 0.00 0.64 -2.24 0.43 -4.79 114.28 105.61 1wh0 n THR 99 Ca 0.09 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1wh0 n THR 99 Cb 0.53 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.25 0.00 -1.34 6.98 0.00 -1.26 -3.69 120.51 118.96 1wh0 n ALA 100 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.44 1wh0 n ALA 100 Cb 0.26 0.38 0.11 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.02 1.78 -3.91 0.00 3.41 -1.26 -4.85 113.62 106.77 1wh0 n SER 101 Ca 0.00 -2.90 -0.09 0.00 -0.26 0.00 0.00 58.87 55.62 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 -2.24 1.26 -0.07 4.33 1.70 -1.16 -2.44 118.95 120.33 1wh0 s ARG 102 Ca 0.26 -1.10 0.02 0.00 -0.47 0.00 0.00 55.73 54.43 1wh0 s ARG 102 Cb 0.23 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1wh0 s ARG 102 CO 0.01 -0.49 -0.10 0.42 -1.08 0.00 0.00 175.30 174.06 1wh0 s ILE 103 N -3.95 3.42 -0.18 4.99 1.01 -0.31 0.16 121.20 126.35 1wh0 s ILE 103 Ca 0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1wh0 s ILE 103 Cb 0.02 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1wh0 s ILE 103 CO 0.00 0.59 -0.07 -1.81 0.00 0.00 0.00 174.94 173.65 1wh0 s ASP 104 N -0.70 4.27 -0.23 3.58 1.01 -0.31 -1.35 116.67 122.94 1wh0 s ASP 104 Ca 0.11 -0.33 -0.01 0.00 0.71 0.00 0.00 52.55 53.03 1wh0 s ASP 104 Cb -0.11 -1.70 0.06 0.00 1.01 0.00 0.00 42.92 42.18 1wh0 s ASP 104 CO 0.01 0.07 -0.00 -0.63 0.21 0.00 0.00 175.17 174.83 1wh0 s ILE 105 N 0.92 1.10 -0.36 0.77 1.01 -1.02 -1.49 121.20 122.14 1wh0 s ILE 105 Ca -0.01 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 1wh0 s ILE 105 Cb -0.15 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1wh0 s ILE 105 CO 0.00 -0.21 0.85 0.00 0.00 0.00 0.00 174.94 175.58 1wh0 s LEU 107 N 3.26 3.42 -0.22 0.00 1.43 -0.05 -2.09 118.68 124.42 1wh0 s LEU 107 Ca 0.35 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1wh0 s LEU 107 Cb -0.13 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1wh0 s LEU 107 CO 0.17 -0.02 0.16 -0.60 0.23 0.00 0.00 176.35 176.29 1wh0 s ARG 108 N 1.55 4.12 0.43 1.70 6.06 -1.26 -1.40 118.95 130.15 1wh0 s ARG 108 Ca 0.06 -0.23 0.02 0.00 -2.50 0.00 0.00 55.73 53.09 1wh0 s ARG 108 Cb -0.15 -3.49 -0.00 0.00 0.06 0.00 0.00 34.95 31.37 1wh0 s ARG 108 CO 0.03 0.15 0.62 0.15 -2.50 0.00 0.00 175.30 173.76 1wh0 s LYS 109 N 0.79 3.03 0.10 5.12 1.02 -0.18 -0.84 119.74 128.77 1wh0 s LYS 109 Ca 0.08 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.26 1wh0 s LYS 109 Cb -0.13 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 1wh0 s LYS 109 CO 0.02 -0.22 1.40 0.00 -0.92 0.00 0.00 175.35 175.63 1wh0 h ARG 110 N 0.51 0.75 -4.53 1.68 3.08 -1.88 -3.43 114.38 110.56 1wh0 h ARG 110 Ca -0.46 -0.44 -0.36 0.00 0.07 0.00 0.00 59.98 58.79 1wh0 h ARG 110 Cb 1.26 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 1wh0 h ARG 110 CO 0.55 1.06 -0.37 -0.65 -1.07 0.00 0.00 179.97 179.50 1wh0 s GLN 111 N -4.23 1.78 -1.05 0.04 -0.21 -1.26 -5.08 119.66 109.64 1wh0 s GLN 111 Ca -0.12 -1.87 -0.12 0.00 0.02 0.00 0.00 55.36 53.27 1wh0 s GLN 111 Cb 0.09 0.37 0.23 0.00 1.00 0.00 0.00 33.01 34.70 1wh0 s GLN 111 CO 0.85 -0.69 1.10 0.45 -2.12 0.00 0.00 175.29 174.88 1wh0 s SER 112 N -3.29 7.09 0.33 5.90 0.15 -1.26 -4.73 113.70 117.88 1wh0 s SER 112 Ca 0.36 -3.14 0.06 0.00 0.70 0.00 0.00 55.95 53.93 1wh0 s SER 112 Cb 0.01 -2.26 -0.07 0.00 -1.71 0.00 0.00 66.02 62.00 1wh0 s SER 112 CO 0.23 -0.51 -0.00 0.00 1.20 0.00 0.00 173.24 174.16 1wh0 s GLN 113 N -0.04 1.69 0.23 5.44 0.00 -1.26 -5.08 119.66 120.63 1wh0 s GLN 113 Ca 0.30 -1.91 -0.30 0.00 -0.00 0.00 0.00 55.36 53.46 1wh0 s GLN 113 Cb -0.08 -1.17 -0.09 0.00 0.00 0.00 0.00 33.01 31.67 1wh0 s GLN 113 CO -0.07 -0.06 1.10 0.50 0.00 0.00 0.00 175.29 176.76 1wh0 s ARG 114 N -3.78 4.61 -0.16 9.60 6.06 -1.26 -4.95 118.95 129.08 1wh0 s ARG 114 Ca 0.34 1.76 0.13 0.00 -2.50 0.00 0.00 55.73 55.45 1wh0 s ARG 114 Cb 0.07 -3.23 -0.18 0.00 0.06 0.00 0.00 34.95 31.66 1wh0 s ARG 114 CO 0.15 0.14 0.03 0.91 -2.50 0.00 0.00 175.30 174.03 1wh0 n TRP 115 N 1.83 0.00 -3.27 5.12 7.02 -1.26 -4.97 117.44 121.91 1wh0 n TRP 115 Ca 0.01 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.26 1wh0 n TRP 115 Cb 0.45 -0.76 0.05 0.00 -2.42 0.00 0.00 31.31 28.63 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wh0 n GLY 116 N 2.10 -0.53 0.00 6.99 0.00 -1.26 -4.80 105.19 107.69 1wh0 n GLY 116 Ca -0.26 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.71 3.69 0.47 -0.02 0.00 -1.26 -5.00 105.19 101.37 1wh0 n GLY 117 Ca -0.06 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 1wh0 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wh0 h LEU 118 N 0.00 -1.47 -9.76 0.99 5.85 -1.94 -3.41 115.31 105.56 1wh0 h LEU 118 Ca 0.00 0.15 -0.49 0.00 0.84 0.00 0.00 57.88 58.38 1wh0 h LEU 118 Cb 0.00 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1wh0 h LEU 118 CO 0.00 -0.56 0.34 -1.61 -0.34 0.00 0.00 178.44 176.27 1wh0 s GLU 119 N -5.64 4.82 0.15 1.25 2.02 -1.26 -4.36 118.70 115.68 1wh0 s GLU 119 Ca -0.16 1.46 -0.30 0.00 0.02 0.00 0.00 54.97 55.99 1wh0 s GLU 119 Cb 0.05 -3.23 -0.07 0.00 0.10 0.00 0.00 34.13 30.98 1wh0 s GLU 119 CO 0.57 0.50 1.16 0.00 0.02 0.00 0.00 175.26 177.52 1wh0 s ALA 120 N -1.22 3.40 1.08 5.21 0.00 0.13 -4.91 121.76 125.45 1wh0 s ALA 120 Ca 0.42 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 1wh0 s ALA 120 Cb -0.25 -3.40 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1wh0 s ALA 120 CO 0.31 -0.33 0.36 -0.35 0.00 0.00 0.00 175.76 175.75 1wh0 n PRO 121 N 2.78 -1.71 -3.66 0.00 -0.04 -1.26 -4.94 135.00 126.17 1wh0 n PRO 121 Ca 0.05 -0.57 -0.07 0.00 -0.04 0.00 0.00 63.50 62.87 1wh0 n PRO 121 Cb 0.46 -0.53 -0.08 0.00 -0.04 0.00 0.00 33.50 33.30 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 s ALA 122 N -2.99 -1.56 0.54 0.55 0.00 -1.26 -5.17 121.76 111.86 1wh0 s ALA 122 Ca 0.23 1.99 0.05 0.00 0.00 0.00 0.00 51.96 54.24 1wh0 s ALA 122 Cb -0.02 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1wh0 s ALA 122 CO 0.18 -0.57 0.38 0.00 0.00 0.00 0.00 175.76 175.74 1wh0 s ALA 123 N 2.12 4.39 -1.18 0.00 0.00 -1.26 -4.70 121.76 121.12 1wh0 s ALA 123 Ca -0.07 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 1wh0 s ALA 123 Cb -0.09 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1wh0 s ALA 123 CO -0.16 -0.41 0.08 0.54 0.00 0.00 0.00 175.76 175.80 1wh0 n ARG 124 N -1.72 -0.87 -2.96 0.00 3.00 -1.26 -4.88 116.66 107.97 1wh0 n ARG 124 Ca -0.02 0.05 -0.30 0.00 -0.01 0.00 0.00 57.85 57.57 1wh0 n ARG 124 Cb 0.64 -2.66 -0.03 0.00 0.00 0.00 0.00 32.46 30.41 1wh0 n ARG 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1wh0 s VAL 125 N -4.06 4.83 -0.38 1.55 -7.23 -1.26 -5.03 120.40 108.82 1wh0 s VAL 125 Ca 0.06 0.52 0.13 0.00 -1.81 0.00 0.00 61.98 60.88 1wh0 s VAL 125 Cb -0.03 -3.73 0.42 0.00 0.56 0.00 0.00 36.38 33.61 1wh0 s VAL 125 CO 0.79 -0.47 0.96 0.61 -0.31 0.00 0.00 175.10 176.68 1wh0 n GLY 126 N -1.19 3.26 0.00 2.32 0.00 -1.26 -4.88 105.19 103.45 1wh0 n GLY 126 Ca 0.02 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1wh0 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 127 N -0.13 -1.07 3.63 -0.02 0.00 -1.26 -5.18 105.19 101.16 1wh0 n GLY 127 Ca 0.21 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 s ALA 128 N 0.00 -1.87 -0.29 4.61 0.00 -1.26 -5.14 121.76 117.81 1wh0 s ALA 128 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1wh0 s ALA 128 Cb 0.00 0.42 0.09 0.00 0.00 0.00 0.00 23.12 23.63 1wh0 s ALA 128 CO 0.00 -0.88 0.05 0.45 0.00 0.00 0.00 175.76 175.38 1wh0 s SER 129 N -2.71 4.13 -0.48 0.00 0.15 -1.26 -5.03 113.70 108.50 1wh0 s SER 129 Ca 0.10 -1.63 0.07 0.00 0.70 0.00 0.00 55.95 55.19 1wh0 s SER 129 Cb -0.00 -1.13 0.19 0.00 -1.71 0.00 0.00 66.02 63.37 1wh0 s SER 129 CO -0.03 -0.36 0.68 -0.83 1.20 0.00 0.00 173.24 173.90 1wh0 s GLY 130 N 1.39 -1.16 -0.78 9.45 0.00 -1.26 -5.10 107.32 109.85 1wh0 s GLY 130 Ca 0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 44.72 44.24 1wh0 s GLY 130 CO -0.15 3.60 1.92 2.56 0.00 0.00 0.00 173.10 181.02 1wh0 s PRO 131 N 1.17 2.58 0.09 2.90 0.04 -1.26 -4.94 135.00 135.58 1wh0 s PRO 131 Ca 0.25 0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.41 1wh0 s PRO 131 Cb -0.02 -4.79 -0.03 0.00 0.04 0.00 0.00 34.50 29.70 1wh0 s PRO 131 CO -0.06 -3.12 -0.12 0.45 0.04 0.00 0.00 177.00 174.18 1wh0 s SER 132 N 8.08 1.60 0.21 6.66 0.15 -1.26 -5.05 113.70 124.10 1wh0 s SER 132 Ca 0.69 -0.71 -0.17 0.00 0.70 0.00 0.00 55.95 56.46 1wh0 s SER 132 Cb -0.09 -0.03 0.21 0.00 -1.71 0.00 0.00 66.02 64.40 1wh0 s SER 132 CO 0.08 -0.16 1.46 -1.54 1.20 0.00 0.00 173.24 174.28 1wh0 n SER 133 N 0.93 -0.64 0.00 5.45 3.41 -1.26 -5.16 113.62 116.36 1wh0 n SER 133 Ca -0.19 1.64 0.00 0.00 -0.26 0.00 0.00 58.87 60.07 1wh0 n SER 133 Cb 0.56 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49