#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 -0.58 0.31 1.61 1.04 -1.26 -5.18 113.70 109.64 1wh0 s SER 2 Ca 0.00 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.41 1wh0 s SER 2 Cb 0.00 1.28 -0.06 0.00 0.10 0.00 0.00 66.02 67.34 1wh0 s SER 2 CO 0.00 -0.14 -0.03 -0.94 0.98 0.00 0.00 173.24 173.11 1wh0 s SER 3 N 1.48 2.89 -0.85 7.02 1.04 -1.26 -5.09 113.70 118.92 1wh0 s SER 3 Ca -0.09 -1.25 -0.17 0.00 0.48 0.00 0.00 55.95 54.92 1wh0 s SER 3 Cb -0.04 -0.19 0.15 0.00 0.10 0.00 0.00 66.02 66.04 1wh0 s SER 3 CO -0.16 -0.40 0.97 -0.83 0.98 0.00 0.00 173.24 173.80 1wh0 s GLY 4 N -3.50 2.11 0.04 7.32 0.00 -1.26 -4.96 107.32 107.08 1wh0 s GLY 4 Ca 0.32 -2.85 -0.27 0.00 0.00 0.00 0.00 44.72 41.92 1wh0 s GLY 4 CO 0.14 1.74 0.80 -1.35 0.00 0.00 0.00 173.10 174.43 1wh0 s SER 5 N 3.19 -0.44 0.33 1.64 1.04 -1.26 -5.19 113.70 113.02 1wh0 s SER 5 Ca 0.26 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1wh0 s SER 5 Cb -0.09 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1wh0 s SER 5 CO -0.07 -0.72 0.14 -1.54 0.98 0.00 0.00 173.24 172.03 1wh0 n SER 6 N -0.22 2.41 0.00 7.02 3.41 -1.26 -5.14 113.62 119.84 1wh0 n SER 6 Ca -0.12 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1wh0 n SER 6 Cb 0.63 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh0 n GLY 7 N 1.08 1.49 3.29 5.00 0.00 -1.26 -5.11 105.19 109.68 1wh0 n GLY 7 Ca -0.06 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1wh0 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wh0 n VAL 8 N 0.00 0.00 -1.70 1.61 3.14 -1.26 -4.77 118.33 115.35 1wh0 n VAL 8 Ca 0.00 -0.28 -0.43 0.00 -2.96 0.00 0.00 64.34 60.67 1wh0 n VAL 8 Cb 0.00 -0.60 -0.03 0.00 -1.06 0.00 0.00 33.84 32.15 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1wh0 s ASP 9 N -1.86 5.68 0.35 6.55 2.15 -1.26 -4.89 116.67 123.39 1wh0 s ASP 9 Ca 0.56 1.87 -0.21 0.00 0.43 0.00 0.00 52.55 55.19 1wh0 s ASP 9 Cb -0.13 -2.52 -0.15 0.00 -0.30 0.00 0.00 42.92 39.82 1wh0 s ASP 9 CO 0.66 -1.79 0.14 -0.62 -0.17 0.00 0.00 175.17 173.40 1wh0 n GLU 10 N 8.52 0.00 0.00 4.34 4.71 -1.26 -4.74 120.64 132.20 1wh0 n GLU 10 Ca 0.27 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.46 1wh0 n GLU 10 Cb 0.45 -0.95 0.26 0.00 -1.01 0.00 0.00 31.44 30.19 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1wh0 n PRO 11 N 1.22 0.49 -0.29 3.49 -0.04 -1.26 -4.16 135.00 134.46 1wh0 n PRO 11 Ca 0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1wh0 n PRO 11 Cb 0.36 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.78 -0.26 -0.36 0.54 0.28 -1.26 0.23 120.64 119.04 1wh0 n GLU 12 Ca 0.06 1.07 0.06 0.00 -0.16 0.00 0.00 57.16 58.19 1wh0 n GLU 12 Cb 0.03 -1.57 0.22 0.00 1.43 0.00 0.00 31.44 31.54 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 0.93 -4.23 -1.84 0.87 -1.95 -3.42 113.55 103.90 1wh0 h SER 13 Ca 0.16 0.04 -0.49 0.00 -1.23 0.00 0.00 61.79 60.27 1wh0 h SER 13 Cb 0.33 -0.15 0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1wh0 h SER 13 CO -0.67 0.52 0.38 -0.04 -0.53 0.00 0.00 176.83 176.49 1wh0 s MET 14 N -5.99 3.53 0.07 2.24 -1.94 0.63 -4.95 119.30 112.91 1wh0 s MET 14 Ca -0.12 1.02 -0.13 0.00 -1.71 0.00 0.00 55.69 54.75 1wh0 s MET 14 Cb 0.21 -2.07 -0.06 0.00 2.01 0.00 0.00 34.83 34.92 1wh0 s MET 14 CO 0.81 -0.62 0.45 0.08 -0.01 0.00 0.00 175.02 175.72 1wh0 s VAL 15 N -2.69 5.00 -0.17 -6.03 1.01 -0.43 -4.92 120.40 112.17 1wh0 s VAL 15 Ca 0.60 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 1wh0 s VAL 15 Cb -0.13 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1wh0 s VAL 15 CO 0.39 0.37 -0.03 0.20 0.00 0.00 0.00 175.10 176.04 1wh0 s ASN 16 N -1.53 4.78 0.26 3.32 -0.87 -1.26 0.25 114.94 119.90 1wh0 s ASN 16 Ca 0.31 -0.16 -0.20 0.00 -1.57 0.00 0.00 52.86 51.25 1wh0 s ASN 16 Cb -0.15 -1.79 -0.09 0.00 -0.02 0.00 0.00 41.25 39.20 1wh0 s ASN 16 CO 0.17 0.13 0.76 -0.76 -2.57 0.00 0.00 177.10 174.83 1wh0 s LEU 17 N 0.58 4.27 -0.24 0.60 1.43 -0.08 -4.88 118.68 120.36 1wh0 s LEU 17 Ca -0.02 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1wh0 s LEU 17 Cb -0.14 -3.77 -0.18 0.00 0.03 0.00 0.00 46.19 42.13 1wh0 s LEU 17 CO 0.02 -0.04 -0.16 0.00 0.23 0.00 0.00 176.35 176.40 1wh0 n ALA 18 N 0.43 1.37 -3.68 4.21 0.00 -1.26 -4.55 120.51 117.03 1wh0 n ALA 18 Ca -0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 1wh0 n ALA 18 Cb 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.52 -0.61 -0.10 0.00 5.36 -1.26 -5.05 117.98 113.79 1wh0 s PHE 19 Ca -0.34 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.94 1wh0 s PHE 19 Cb 0.09 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 1wh0 s PHE 19 CO 0.62 -0.38 -0.22 0.08 -1.46 0.00 0.00 175.22 173.86 1wh0 s VAL 20 N 1.88 1.95 -0.41 3.12 1.01 -1.26 -5.07 120.40 121.62 1wh0 s VAL 20 Ca -0.06 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1wh0 s VAL 20 Cb -0.10 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 1wh0 s VAL 20 CO -0.12 0.53 2.34 1.17 0.00 0.00 0.00 175.10 179.03 1wh0 n LYS 21 N 3.58 1.30 -3.82 2.72 0.00 -1.26 -4.90 118.16 115.78 1wh0 n LYS 21 Ca -0.19 0.21 -0.09 0.00 0.00 0.00 0.00 58.31 58.23 1wh0 n LYS 21 Cb 0.53 -3.15 -0.06 0.00 0.00 0.00 0.00 35.03 32.34 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 10.18 0.01 -0.04 3.14 6.03 -1.26 -1.17 114.94 131.83 1wh0 s ASN 22 Ca 1.03 -0.61 -0.01 0.00 -1.03 0.00 0.00 52.86 52.24 1wh0 s ASN 22 Cb -0.37 0.40 0.03 0.00 -3.03 0.00 0.00 41.25 38.28 1wh0 s ASN 22 CO 0.33 -0.80 0.03 -1.81 -2.03 0.00 0.00 177.10 172.82 1wh0 s ASP 23 N -2.87 0.97 -0.10 3.54 1.01 0.02 -4.95 116.67 114.29 1wh0 s ASP 23 Ca 0.07 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.39 1wh0 s ASP 23 Cb 0.04 -0.20 -0.01 0.00 1.01 0.00 0.00 42.92 43.76 1wh0 s ASP 23 CO -0.09 -0.20 -0.21 -0.94 0.21 0.00 0.00 175.17 173.94 1wh0 s SER 24 N 1.80 3.34 0.12 0.27 1.04 -1.26 -0.84 113.70 118.16 1wh0 s SER 24 Ca 0.01 -0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.03 1wh0 s SER 24 Cb -0.12 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 1wh0 s SER 24 CO -0.03 0.18 -0.12 -0.72 0.98 0.00 0.00 173.24 173.53 1wh0 s TYR 25 N 0.20 2.67 -0.54 5.02 1.13 -0.82 -4.98 117.35 120.03 1wh0 s TYR 25 Ca -0.13 -0.19 -0.28 0.00 -1.41 0.00 0.00 57.07 55.06 1wh0 s TYR 25 Cb -0.16 -1.39 0.01 0.00 -1.10 0.00 0.00 41.96 39.31 1wh0 s TYR 25 CO 0.07 0.43 1.49 -1.21 -2.51 0.00 0.00 175.55 173.82 1wh0 s GLU 26 N -2.27 3.25 0.19 -3.49 2.02 -1.26 -2.94 118.70 114.19 1wh0 s GLU 26 Ca 0.21 0.57 0.06 0.00 0.02 0.00 0.00 54.97 55.84 1wh0 s GLU 26 Cb -0.11 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 1wh0 s GLU 26 CO 0.13 -2.00 0.09 0.21 0.02 0.00 0.00 175.26 173.72 1wh0 s LYS 27 N 5.65 2.70 0.58 1.61 2.20 -0.77 -5.01 119.74 126.70 1wh0 s LYS 27 Ca 0.57 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1wh0 s LYS 27 Cb -0.12 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1wh0 s LYS 27 CO 0.26 0.45 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 1wh0 n GLY 28 N -0.48 -0.04 0.08 5.54 0.00 -1.26 -1.72 105.19 107.31 1wh0 n GLY 28 Ca -0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.06 0.00 1.61 0.13 -2.03 -3.37 132.00 128.28 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 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wh0 h PRO 29 CO 0.00 0.40 -0.08 -0.25 -0.23 0.00 0.00 178.00 177.85 1wh0 n ASP 30 N -4.89 1.46 -4.86 1.44 9.92 -1.26 -4.59 116.55 113.77 1wh0 n ASP 30 Ca -0.08 -2.18 -0.32 0.00 -0.53 0.00 0.00 54.79 51.68 1wh0 n ASP 30 Cb 0.25 -0.17 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 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 -1.43 6.72 -0.25 -2.24 0.01 -0.70 -1.10 113.70 114.71 1wh0 s SER 31 Ca 0.10 1.21 -0.02 0.00 1.31 0.00 0.00 55.95 58.55 1wh0 s SER 31 Cb 0.09 -2.35 0.13 0.00 0.21 0.00 0.00 66.02 64.10 1wh0 s SER 31 CO 0.01 -0.21 0.33 -0.69 0.41 0.00 0.00 173.24 173.09 1wh0 s VAL 32 N -2.01 -0.51 0.06 3.43 1.01 -0.46 -1.85 120.40 120.08 1wh0 s VAL 32 Ca 0.53 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 1wh0 s VAL 32 Cb -0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1wh0 s VAL 32 CO 0.20 -0.22 0.62 -0.69 0.00 0.00 0.00 175.10 175.01 1wh0 s VAL 33 N 2.47 4.73 -0.08 2.92 1.01 -1.15 -0.68 120.40 129.62 1wh0 s VAL 33 Ca 0.11 1.33 0.04 0.00 0.00 0.00 0.00 61.98 63.45 1wh0 s VAL 33 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1wh0 s VAL 33 CO -0.20 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.52 1wh0 s VAL 34 N -0.80 1.70 -0.24 2.92 1.01 -0.55 -1.95 120.40 122.50 1wh0 s VAL 34 Ca 0.31 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1wh0 s VAL 34 Cb -0.20 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1wh0 s VAL 34 CO 0.20 0.48 -0.03 -1.00 0.00 0.00 0.00 175.10 174.74 1wh0 s HIS 35 N 0.32 3.02 -0.29 5.22 3.76 -0.02 -2.04 115.29 125.25 1wh0 s HIS 35 Ca -0.13 -1.17 -0.11 0.00 -0.15 0.00 0.00 55.06 53.49 1wh0 s HIS 35 Cb -0.16 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1wh0 s HIS 35 CO 0.06 -0.62 0.19 0.08 -0.85 0.00 0.00 174.74 173.60 1wh0 s VAL 36 N 1.42 5.19 -0.58 -0.90 1.01 -0.51 -0.80 120.40 125.22 1wh0 s VAL 36 Ca 0.03 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1wh0 s VAL 36 Cb -0.15 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1wh0 s VAL 36 CO -0.03 0.19 1.46 -0.31 0.00 0.00 0.00 175.10 176.41 1wh0 s TYR 37 N 1.73 2.19 -0.21 5.22 1.51 -0.31 -1.35 117.35 126.13 1wh0 s TYR 37 Ca 0.07 0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 56.27 1wh0 s TYR 37 Cb -0.16 -4.38 0.15 0.00 -0.11 0.00 0.00 41.96 37.46 1wh0 s TYR 37 CO 0.10 -2.06 1.17 0.54 -1.11 0.00 0.00 175.55 174.19 1wh0 s VAL 38 N 6.41 0.00 0.34 0.71 0.11 -1.11 -4.79 120.40 122.07 1wh0 s VAL 38 Ca 0.53 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1wh0 s VAL 38 Cb -0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1wh0 s VAL 38 CO 0.23 0.00 0.20 -0.54 -3.33 0.00 0.00 175.10 171.66 1wh0 s LYS 39 N -1.30 1.75 -1.34 1.54 1.02 -1.26 -3.07 119.74 117.07 1wh0 s LYS 39 Ca 0.04 -2.03 -0.02 0.00 0.02 0.00 0.00 55.97 53.99 1wh0 s LYS 39 Cb -0.01 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.25 1wh0 s LYS 39 CO -0.03 -0.54 0.72 0.39 -0.92 0.00 0.00 175.35 174.97 1wh0 n GLU 40 N -0.69 -4.92 -3.82 1.68 -0.58 -1.26 -3.59 120.64 107.46 1wh0 n GLU 40 Ca 0.01 0.60 -0.29 0.00 -0.42 0.00 0.00 57.16 57.07 1wh0 n GLU 40 Cb 0.64 -5.19 -0.04 0.00 -0.57 0.00 0.00 31.44 26.29 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 -3.64 5.29 -0.48 -3.67 1.01 -1.26 0.65 121.20 119.10 1wh0 s ILE 41 Ca 0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 1wh0 s ILE 41 Cb -0.05 -3.68 0.09 0.00 0.01 0.00 0.00 42.46 38.83 1wh0 s ILE 41 CO 0.82 -0.01 0.40 0.00 0.00 0.00 0.00 174.94 176.14 1wh0 n ARG 43 N 5.16 0.30 0.00 0.00 1.74 -1.26 -1.01 116.66 121.60 1wh0 n ARG 43 Ca -0.12 0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 56.84 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 -0.25 -1.52 0.00 0.00 177.63 175.86 1wh0 n ASP 44 N -1.14 2.01 -0.82 0.55 9.92 -1.26 -4.27 116.55 121.53 1wh0 n ASP 44 Ca 0.08 0.23 0.08 0.00 -0.53 0.00 0.00 54.79 54.65 1wh0 n ASP 44 Cb 0.07 -0.79 0.23 0.00 -0.64 0.00 0.00 41.12 40.00 1wh0 n ASP 44 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1wh0 n THR 45 N -3.44 1.99 -4.08 -3.53 -2.24 -0.97 -4.93 114.28 97.08 1wh0 n THR 45 Ca -0.31 -1.68 -0.32 0.00 -2.27 0.00 0.00 64.05 59.47 1wh0 n THR 45 Cb 1.05 -0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.73 3.16 0.42 3.42 0.01 -0.18 -4.34 113.70 114.46 1wh0 s SER 46 Ca 0.38 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 56.98 1wh0 s SER 46 Cb 0.29 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.12 1wh0 s SER 46 CO 0.10 -0.05 0.17 0.00 0.41 0.00 0.00 173.24 173.87 1wh0 s ARG 47 N 1.34 1.98 -0.05 12.44 1.70 0.43 -4.77 118.95 132.01 1wh0 s ARG 47 Ca 0.03 -2.21 -0.02 0.00 -0.47 0.00 0.00 55.73 53.06 1wh0 s ARG 47 Cb -0.14 -0.44 0.04 0.00 -0.57 0.00 0.00 34.95 33.84 1wh0 s ARG 47 CO -0.11 -0.56 0.10 0.08 -1.08 0.00 0.00 175.30 173.73 1wh0 s VAL 48 N -3.20 -0.10 -0.38 4.99 1.01 -1.26 -0.62 120.40 120.84 1wh0 s VAL 48 Ca 0.24 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1wh0 s VAL 48 Cb 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1wh0 s VAL 48 CO 0.17 0.11 0.22 -0.76 0.00 0.00 0.00 175.10 174.84 1wh0 s LEU 49 N 1.51 4.74 -0.41 3.92 1.43 0.12 -4.99 118.68 125.01 1wh0 s LEU 49 Ca -0.05 -0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 51.92 1wh0 s LEU 49 Cb -0.12 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1wh0 s LEU 49 CO -0.05 -0.38 0.62 -0.36 0.23 0.00 0.00 176.35 176.42 1wh0 s PHE 50 N 1.58 3.10 0.53 0.29 0.08 -1.26 -0.18 117.98 122.11 1wh0 s PHE 50 Ca 0.03 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.13 1wh0 s PHE 50 Cb -0.19 -3.25 0.10 0.00 -0.57 0.00 0.00 43.02 39.12 1wh0 s PHE 50 CO 0.07 -0.78 0.73 0.54 -0.10 0.00 0.00 175.22 175.68 1wh0 n ARG 51 N 6.14 0.16 0.07 0.44 5.12 0.70 -4.62 116.66 124.67 1wh0 n ARG 51 Ca -0.02 -2.07 -0.18 0.00 -1.93 0.00 0.00 57.85 53.65 1wh0 n ARG 51 Cb 0.48 -0.45 -0.14 0.00 -1.16 0.00 0.00 32.46 31.18 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 0.29 0.00 5.56 9.09 -1.97 -3.34 114.58 124.21 1wh0 h GLU 52 Ca -0.24 -0.50 0.00 0.00 0.05 0.00 0.00 59.36 58.67 1wh0 h GLU 52 Cb 0.91 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 1wh0 h GLU 52 CO 0.27 1.17 -0.02 0.94 0.05 0.00 0.00 179.01 181.42 1wh0 n GLN 53 N -3.50 1.41 -3.29 1.06 7.27 -1.26 0.13 117.38 119.20 1wh0 n GLN 53 Ca -0.18 -2.38 -0.01 0.00 0.07 0.00 0.00 57.00 54.50 1wh0 n GLN 53 Cb 1.05 -1.40 0.01 0.00 2.41 0.00 0.00 30.24 32.32 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 -1.27 -1.12 -3.38 1.69 5.75 -1.26 -2.09 116.55 114.87 1wh0 n ASP 54 Ca 0.13 -1.49 0.02 0.00 -0.01 0.00 0.00 54.79 53.45 1wh0 n ASP 54 Cb 0.60 1.80 -0.03 0.00 -1.03 0.00 0.00 41.12 42.46 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 -2.84 -1.14 0.01 2.11 -0.12 -0.96 -0.22 117.98 114.83 1wh0 s PHE 55 Ca 0.19 1.63 -0.08 0.00 -0.05 0.00 0.00 56.93 58.62 1wh0 s PHE 55 Cb -0.02 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1wh0 s PHE 55 CO 0.02 -0.59 0.29 0.99 -0.05 0.00 0.00 175.22 175.88 1wh0 s THR 56 N 2.78 5.27 -0.26 -4.49 2.01 0.74 -2.62 115.64 119.07 1wh0 s THR 56 Ca 0.03 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.30 1wh0 s THR 56 Cb -0.11 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.89 1wh0 s THR 56 CO -0.18 0.39 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.89 1wh0 s LEU 57 N -1.68 2.90 -0.31 4.42 2.96 0.90 0.16 118.68 128.02 1wh0 s LEU 57 Ca 0.27 -1.38 -0.10 0.00 -0.22 0.00 0.00 54.13 52.70 1wh0 s LEU 57 Cb -0.13 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1wh0 s LEU 57 CO 0.15 -0.27 0.17 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.33 4.78 -0.12 6.68 1.09 0.21 -1.46 121.20 133.71 1wh0 s ILE 58 Ca -0.02 -0.32 -0.15 0.00 -1.10 0.00 0.00 60.65 59.07 1wh0 s ILE 58 Cb -0.19 -3.42 0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1wh0 s ILE 58 CO -0.09 0.08 0.39 0.72 -0.10 0.00 0.00 174.94 175.94 1wh0 s PHE 59 N 1.65 -0.39 -0.38 3.97 -0.12 -1.00 0.16 117.98 121.87 1wh0 s PHE 59 Ca 0.05 0.91 -0.09 0.00 -0.05 0.00 0.00 56.93 57.76 1wh0 s PHE 59 Cb -0.17 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 1wh0 s PHE 59 CO 0.07 -0.26 0.19 -0.65 -0.05 0.00 0.00 175.22 174.52 1wh0 s GLN 60 N -0.14 2.65 0.24 1.99 -0.21 -1.26 -3.43 119.66 119.50 1wh0 s GLN 60 Ca -0.03 -1.27 -0.07 0.00 0.02 0.00 0.00 55.36 54.01 1wh0 s GLN 60 Cb -0.03 -3.65 -0.06 0.00 1.00 0.00 0.00 33.01 30.27 1wh0 s GLN 60 CO 0.02 -0.79 0.52 -0.08 -2.12 0.00 0.00 175.29 172.84 1wh0 s THR 61 N 1.44 5.02 -0.01 -0.19 -1.32 -1.26 -2.29 115.64 117.03 1wh0 s THR 61 Ca 0.01 0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 1wh0 s THR 61 Cb -0.21 -3.67 0.01 0.00 -1.51 0.00 0.00 72.50 67.12 1wh0 s THR 61 CO 0.03 -0.17 0.90 0.54 -2.21 0.00 0.00 174.62 173.71 1wh0 n ARG 62 N -0.49 2.25 -2.68 7.08 1.74 0.21 -4.22 116.66 120.55 1wh0 n ARG 62 Ca -0.01 -1.32 -0.43 0.00 -0.77 0.00 0.00 57.85 55.32 1wh0 n ARG 62 Cb 0.53 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 31.04 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 -0.86 6.57 0.60 0.55 2.15 -1.24 -4.88 116.67 119.56 1wh0 s ASP 63 Ca 0.01 0.31 0.29 0.00 0.43 0.00 0.00 52.55 53.59 1wh0 s ASP 63 Cb 0.01 -2.51 1.23 0.00 -0.30 0.00 0.00 42.92 41.35 1wh0 s ASP 63 CO 0.00 -1.19 1.60 1.23 -0.17 0.00 0.00 175.17 176.64 1wh0 h GLY 64 N 11.01 0.00 1.22 2.66 0.00 -1.94 0.70 103.07 116.71 1wh0 h GLY 64 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1wh0 h GLY 64 CO 1.09 0.00 -0.13 3.43 0.00 0.00 0.00 176.54 180.93 1wh0 h ASN 65 N 0.00 0.91 0.63 0.19 2.35 -1.98 0.10 115.58 117.79 1wh0 h ASN 65 Ca 0.39 -0.30 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 1wh0 h ASN 65 Cb 2.17 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 40.25 1wh0 h ASN 65 CO -0.00 1.04 -1.46 0.15 -1.65 0.00 0.00 177.43 175.51 1wh0 h PHE 66 N 0.81 0.10 0.03 1.19 3.04 -0.04 -3.36 116.94 118.72 1wh0 h PHE 66 Ca 0.13 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1wh0 h PHE 66 Cb 0.66 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1wh0 h PHE 66 CO 0.04 1.10 -0.02 -0.07 -2.02 0.00 0.00 178.31 177.34 1wh0 h LEU 67 N 0.02 -0.04 -0.99 0.59 3.38 -1.07 -3.21 115.31 113.98 1wh0 h LEU 67 Ca -0.20 -0.54 0.34 0.00 0.09 0.00 0.00 57.88 57.57 1wh0 h LEU 67 Cb 1.94 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 42.54 1wh0 h LEU 67 CO 0.11 0.53 0.52 0.03 0.09 0.00 0.00 178.44 179.72 1wh0 h ARG 68 N -0.63 0.23 -0.85 1.13 3.08 -0.96 0.72 114.38 117.10 1wh0 h ARG 68 Ca -0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1wh0 h ARG 68 Cb 0.57 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1wh0 h ARG 68 CO 0.01 0.15 0.55 -0.07 -1.07 0.00 0.00 179.97 179.53 1wh0 h LEU 69 N 0.23 0.91 -7.70 3.04 3.38 -1.69 -3.33 115.31 110.16 1wh0 h LEU 69 Ca 0.74 -0.01 -0.73 0.00 0.09 0.00 0.00 57.88 57.98 1wh0 h LEU 69 Cb 1.75 -0.20 -0.32 0.00 0.09 0.00 0.00 40.66 41.97 1wh0 h LEU 69 CO -0.66 0.62 -0.24 -1.00 0.09 0.00 0.00 178.44 177.26 1wh0 s HIS 70 N -6.10 3.52 0.89 1.13 3.76 0.25 -5.08 115.29 113.66 1wh0 s HIS 70 Ca -0.13 -2.39 -0.11 0.00 -0.15 0.00 0.00 55.06 52.27 1wh0 s HIS 70 Cb 0.17 -3.42 0.12 0.00 1.11 0.00 0.00 32.58 30.56 1wh0 s HIS 70 CO 0.79 -0.91 1.09 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.20 1.32 0.00 8.40 0.04 -1.25 -3.65 135.00 140.06 1wh0 s PRO 71 Ca 0.16 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1wh0 s PRO 71 Cb -0.18 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1wh0 s PRO 71 CO -0.05 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1wh0 n GLY 72 N -1.14 2.97 3.87 0.56 0.00 -1.26 -4.98 105.19 105.21 1wh0 n GLY 72 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.65 3.94 0.18 0.00 0.00 -1.26 -5.01 105.19 101.38 1wh0 n GLY 74 Ca -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 0.18 -0.49 1.61 0.13 -1.93 -2.69 132.00 128.81 1wh0 h PRO 75 Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 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 0.62 0.00 -2.39 -0.23 0.00 0.00 178.00 176.00 1wh0 n HIS 76 N -3.98 0.66 -3.32 1.56 1.44 -1.26 -4.46 115.22 105.86 1wh0 n HIS 76 Ca -0.02 -0.29 -0.40 0.00 -2.01 0.00 0.00 57.72 55.00 1wh0 n HIS 76 Cb 0.51 -0.08 -0.09 0.00 0.12 0.00 0.00 29.99 30.45 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 -1.60 5.10 0.19 0.61 2.01 -1.02 -5.05 115.64 115.88 1wh0 s THR 77 Ca 0.26 0.36 -0.31 0.00 0.31 0.00 0.00 61.69 62.32 1wh0 s THR 77 Cb 0.15 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1wh0 s THR 77 CO 0.15 -0.06 1.39 -0.89 -0.69 0.00 0.00 174.62 174.52 1wh0 s THR 78 N 2.20 3.02 -0.20 -0.82 2.01 -1.26 -4.70 115.64 115.89 1wh0 s THR 78 Ca 0.16 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 1wh0 s THR 78 Cb -0.16 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1wh0 s THR 78 CO 0.12 0.10 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.67 1wh0 s PHE 79 N 0.45 2.88 -0.33 4.92 0.08 -1.22 -1.32 117.98 123.45 1wh0 s PHE 79 Ca 0.61 -1.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.28 1wh0 s PHE 79 Cb -0.39 -2.02 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1wh0 s PHE 79 CO 0.37 -0.68 0.11 0.50 -0.10 0.00 0.00 175.22 175.42 1wh0 s ARG 80 N 1.38 2.77 -0.44 0.44 3.52 0.14 -2.36 118.95 124.40 1wh0 s ARG 80 Ca 0.05 -1.08 -0.12 0.00 -0.13 0.00 0.00 55.73 54.45 1wh0 s ARG 80 Cb -0.14 -3.47 0.07 0.00 -1.56 0.00 0.00 34.95 29.85 1wh0 s ARG 80 CO -0.08 -0.61 0.32 -0.46 -0.81 0.00 0.00 175.30 173.66 1wh0 s TRP 81 N 1.45 3.28 -0.15 5.12 -0.00 -0.54 -0.90 118.94 127.20 1wh0 s TRP 81 Ca -0.00 -1.15 -0.11 0.00 -0.00 0.00 0.00 56.10 54.84 1wh0 s TRP 81 Cb -0.19 -2.97 -0.05 0.00 -0.00 0.00 0.00 33.47 30.26 1wh0 s TRP 81 CO 0.03 -0.79 0.20 -1.14 -0.00 0.00 0.00 176.95 175.25 1wh0 s GLN 82 N 1.55 3.95 -0.14 5.86 0.74 -1.26 -0.07 119.66 130.28 1wh0 s GLN 82 Ca 0.03 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1wh0 s GLN 82 Cb -0.23 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.57 1wh0 s GLN 82 CO 0.05 0.47 -0.14 0.08 -0.55 0.00 0.00 175.29 175.20 1wh0 s VAL 83 N -0.17 1.52 -0.45 1.34 1.01 -1.08 -5.00 120.40 117.58 1wh0 s VAL 83 Ca 0.14 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1wh0 s VAL 83 Cb -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.85 1wh0 s VAL 83 CO 0.03 0.45 0.68 -0.75 0.00 0.00 0.00 175.10 175.51 1wh0 s LYS 84 N 1.49 3.30 -0.23 2.72 2.20 -1.26 -2.25 119.74 125.71 1wh0 s LYS 84 Ca 0.05 -0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 55.10 1wh0 s LYS 84 Cb -0.13 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 1wh0 s LYS 84 CO -0.10 -1.06 0.71 -0.51 -0.36 0.00 0.00 175.35 174.03 1wh0 s LEU 85 N 2.95 4.10 0.19 5.43 1.43 -0.89 -0.71 118.68 131.18 1wh0 s LEU 85 Ca 0.24 0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 54.04 1wh0 s LEU 85 Cb -0.14 -3.00 0.15 0.00 0.03 0.00 0.00 46.19 43.23 1wh0 s LEU 85 CO 0.20 -0.39 1.59 0.03 0.23 0.00 0.00 176.35 178.01 1wh0 h ARG 86 N 7.66 -0.13 -6.81 1.70 2.47 -1.83 -3.42 114.38 114.02 1wh0 h ARG 86 Ca -0.27 0.01 -0.45 0.00 -1.26 0.00 0.00 59.98 58.01 1wh0 h ARG 86 Cb 1.12 0.03 0.05 0.00 -1.65 0.00 0.00 29.97 29.52 1wh0 h ARG 86 CO 0.81 -0.09 -0.05 -0.80 0.56 0.00 0.00 179.97 180.40 1wh0 s ASN 87 N -5.17 5.11 0.85 7.04 0.01 -1.26 -5.11 114.94 116.40 1wh0 s ASN 87 Ca -0.14 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.61 1wh0 s ASN 87 Cb 0.17 -0.49 0.11 0.00 0.41 0.00 0.00 41.25 41.45 1wh0 s ASN 87 CO 0.70 -1.27 1.21 -0.76 -1.51 0.00 0.00 177.10 175.48 1wh0 s LEU 88 N -4.77 2.58 0.27 0.60 1.43 -1.26 -4.73 118.68 112.80 1wh0 s LEU 88 Ca 0.60 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 54.14 1wh0 s LEU 88 Cb -0.09 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1wh0 s LEU 88 CO 0.39 -2.12 0.61 0.27 0.23 0.00 0.00 176.35 175.73 1wh0 s ILE 89 N -3.65 0.00 -0.57 -0.59 -4.36 0.35 -3.96 121.20 108.42 1wh0 s ILE 89 Ca 0.65 -1.20 -0.04 0.00 -0.26 0.00 0.00 60.65 59.81 1wh0 s ILE 89 Cb -0.09 -2.16 0.15 0.00 1.25 0.00 0.00 42.46 41.61 1wh0 s ILE 89 CO 0.50 0.00 0.40 -1.61 0.24 0.00 0.00 174.94 174.47 1wh0 s GLU 90 N -3.85 2.49 0.18 0.37 8.01 -0.30 -4.55 118.70 121.05 1wh0 s GLU 90 Ca 0.17 -2.30 0.21 0.00 0.01 0.00 0.00 54.97 53.05 1wh0 s GLU 90 Cb -0.03 -3.75 0.87 0.00 -4.31 0.00 0.00 34.13 26.90 1wh0 s GLU 90 CO 0.09 -1.16 1.63 -0.35 0.01 0.00 0.00 175.26 175.48 1wh0 n PRO 91 N 3.88 0.13 0.19 0.39 -0.04 -1.25 -2.49 135.00 135.81 1wh0 n PRO 91 Ca 0.05 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1wh0 n PRO 91 Cb 0.39 -1.76 0.60 0.00 -0.04 0.00 0.00 33.50 32.69 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 -2.89 114.58 115.40 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 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wh0 h GLU 92 CO 0.00 0.00 -1.07 1.04 -1.00 0.00 0.00 179.01 177.98 1wh0 n GLN 93 N -2.56 1.30 -1.29 2.33 6.02 -1.04 -5.04 117.38 117.10 1wh0 n GLN 93 Ca 0.01 -0.05 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 1wh0 n GLN 93 Cb 0.23 -1.08 0.09 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.89 0.03 -0.09 0.00 -4.23 -0.87 -5.00 115.64 103.59 1wh0 s THR 95 Ca 0.70 -0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1wh0 s THR 95 Cb -0.34 -0.16 0.03 0.00 1.34 0.00 0.00 72.50 73.36 1wh0 s THR 95 CO 0.53 -0.15 -0.05 0.72 -0.54 0.00 0.00 174.62 175.13 1wh0 s PHE 96 N -0.45 1.19 -0.10 3.99 -0.12 -1.26 -1.22 117.98 120.01 1wh0 s PHE 96 Ca -0.05 -0.53 -0.06 0.00 -0.05 0.00 0.00 56.93 56.24 1wh0 s PHE 96 Cb -0.03 -1.06 0.04 0.00 -0.63 0.00 0.00 43.02 41.33 1wh0 s PHE 96 CO 0.00 -0.43 0.24 0.00 -0.05 0.00 0.00 175.22 174.98 1wh0 s PHE 98 N 0.89 3.03 0.14 0.00 0.40 -1.26 -0.59 117.98 120.59 1wh0 s PHE 98 Ca -0.06 1.44 0.01 0.00 -0.60 0.00 0.00 56.93 57.72 1wh0 s PHE 98 Cb -0.07 -2.91 -0.00 0.00 0.51 0.00 0.00 43.02 40.54 1wh0 s PHE 98 CO -0.06 -1.30 0.03 0.25 0.70 0.00 0.00 175.22 174.84 1wh0 n THR 99 N -3.12 0.00 0.00 0.64 -2.24 0.47 -4.74 114.28 105.29 1wh0 n THR 99 Ca 0.08 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1wh0 n THR 99 Cb 0.53 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.44 -0.05 -0.96 6.98 0.00 -1.26 -3.81 120.51 118.97 1wh0 n ALA 100 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1wh0 n ALA 100 Cb 0.19 0.29 0.12 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.82 2.22 -3.89 0.00 3.41 -1.26 -4.86 113.62 107.42 1wh0 n SER 101 Ca 0.00 -2.91 -0.10 0.00 -0.26 0.00 0.00 58.87 55.60 1wh0 n SER 101 Cb 0.00 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.54 1.57 -0.00 4.33 1.70 -1.17 -2.76 118.95 120.08 1wh0 s ARG 102 Ca 0.27 -1.37 0.05 0.00 -0.47 0.00 0.00 55.73 54.21 1wh0 s ARG 102 Cb 0.23 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 1wh0 s ARG 102 CO 0.03 -0.64 -0.15 0.42 -1.08 0.00 0.00 175.30 173.87 1wh0 s ILE 103 N -3.86 3.03 -0.12 4.99 1.01 -0.46 0.18 121.20 125.97 1wh0 s ILE 103 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1wh0 s ILE 103 Cb 0.00 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1wh0 s ILE 103 CO 0.11 0.45 -0.14 -0.62 0.00 0.00 0.00 174.94 174.74 1wh0 s ASP 104 N -1.14 3.95 -0.15 3.58 2.15 0.24 -1.42 116.67 123.88 1wh0 s ASP 104 Ca 0.14 -0.33 -0.04 0.00 0.43 0.00 0.00 52.55 52.75 1wh0 s ASP 104 Cb -0.11 -1.52 0.05 0.00 -0.30 0.00 0.00 42.92 41.05 1wh0 s ASP 104 CO 0.04 0.18 0.07 -0.63 -0.17 0.00 0.00 175.17 174.66 1wh0 s ILE 105 N 0.24 0.07 -0.39 4.11 1.01 -0.87 -1.14 121.20 124.24 1wh0 s ILE 105 Ca -0.09 -0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 1wh0 s ILE 105 Cb -0.16 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1wh0 s ILE 105 CO 0.05 -0.18 0.63 0.00 0.00 0.00 0.00 174.94 175.45 1wh0 s LEU 107 N 2.74 3.99 -0.22 0.00 1.43 0.14 -2.05 118.68 124.71 1wh0 s LEU 107 Ca 0.23 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.42 1wh0 s LEU 107 Cb -0.14 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1wh0 s LEU 107 CO 0.16 0.20 0.09 -0.60 0.23 0.00 0.00 176.35 176.43 1wh0 s ARG 108 N 0.20 3.89 0.51 1.70 6.06 -1.26 -1.35 118.95 128.71 1wh0 s ARG 108 Ca 0.06 -0.37 -0.01 0.00 -2.50 0.00 0.00 55.73 52.91 1wh0 s ARG 108 Cb -0.12 -3.32 0.01 0.00 0.06 0.00 0.00 34.95 31.58 1wh0 s ARG 108 CO -0.00 0.08 0.76 0.15 -2.50 0.00 0.00 175.30 173.79 1wh0 s LYS 109 N 0.92 2.90 -0.03 5.12 1.02 -0.26 -1.15 119.74 128.26 1wh0 s LYS 109 Ca 0.05 -0.42 -0.20 0.00 0.02 0.00 0.00 55.97 55.42 1wh0 s LYS 109 Cb -0.14 -2.46 -0.13 0.00 -0.52 0.00 0.00 37.83 34.58 1wh0 s LYS 109 CO 0.03 -0.49 0.85 0.00 -0.92 0.00 0.00 175.35 174.81 1wh0 h ARG 110 N 0.17 -0.45 -4.86 1.68 3.08 -1.90 -3.43 114.38 108.68 1wh0 h ARG 110 Ca -0.45 0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.35 1wh0 h ARG 110 Cb 1.26 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 31.26 1wh0 h ARG 110 CO 0.57 -0.16 -0.71 -0.65 -1.07 0.00 0.00 179.97 177.96 1wh0 s GLN 111 N -3.70 0.93 -1.01 0.04 -1.52 -1.26 -5.05 119.66 108.09 1wh0 s GLN 111 Ca -0.11 -1.36 -0.22 0.00 -1.95 0.00 0.00 55.36 51.72 1wh0 s GLN 111 Cb 0.01 -0.42 -0.12 0.00 -0.22 0.00 0.00 33.01 32.27 1wh0 s GLN 111 CO 0.38 0.03 1.92 0.45 -0.25 0.00 0.00 175.29 177.82 1wh0 n SER 112 N -0.02 2.86 -4.49 5.90 2.88 -1.26 -4.86 113.62 114.62 1wh0 n SER 112 Ca -0.12 -2.69 -0.23 0.00 -1.33 0.00 0.00 58.87 54.50 1wh0 n SER 112 Cb 0.60 -1.48 -0.11 0.00 -0.75 0.00 0.00 64.21 62.48 1wh0 n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh0 s GLN 113 N 5.86 1.71 0.42 -1.46 0.00 -1.26 -5.09 119.66 119.84 1wh0 s GLN 113 Ca 0.64 -1.92 -0.23 0.00 -0.00 0.00 0.00 55.36 53.85 1wh0 s GLN 113 Cb 0.06 -1.21 -0.09 0.00 0.00 0.00 0.00 33.01 31.76 1wh0 s GLN 113 CO 0.13 -0.06 1.01 0.50 0.00 0.00 0.00 175.29 176.88 1wh0 s ARG 114 N -3.77 4.14 -0.10 9.60 3.52 -1.26 -4.98 118.95 126.09 1wh0 s ARG 114 Ca 0.34 1.36 0.08 0.00 -0.13 0.00 0.00 55.73 57.38 1wh0 s ARG 114 Cb 0.07 -2.38 -0.12 0.00 -1.56 0.00 0.00 34.95 30.96 1wh0 s ARG 114 CO 0.15 -0.14 0.02 0.91 -0.81 0.00 0.00 175.30 175.43 1wh0 n TRP 115 N -0.35 0.00 -2.99 5.12 7.02 -1.26 -5.01 117.44 119.96 1wh0 n TRP 115 Ca 0.06 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.33 1wh0 n TRP 115 Cb 0.51 -0.51 0.02 0.00 -2.42 0.00 0.00 31.31 28.91 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 2.41 -0.51 0.00 6.99 0.00 -1.26 -4.78 105.19 108.05 1wh0 n GLY 116 Ca -0.17 0.09 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 -1.29 3.44 0.30 -0.02 0.00 -1.26 -4.98 105.19 101.37 1wh0 n GLY 117 Ca -0.10 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.84 0.00 0.99 5.85 -1.95 -3.43 115.31 115.93 1wh0 h LEU 118 Ca 0.00 0.24 -0.51 0.00 0.84 0.00 0.00 57.88 58.44 1wh0 h LEU 118 Cb 0.00 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1wh0 h LEU 118 CO 0.00 -0.27 -0.27 -1.84 -0.34 0.00 0.00 178.44 175.72 1wh0 n GLU 119 N -5.49 0.82 -3.69 1.25 0.28 -1.26 -4.43 120.64 108.12 1wh0 n GLU 119 Ca 0.10 -3.01 -0.35 0.00 -0.16 0.00 0.00 57.16 53.74 1wh0 n GLU 119 Cb 0.39 0.43 -0.05 0.00 1.43 0.00 0.00 31.44 33.63 1wh0 n GLU 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wh0 s ALA 120 N -2.69 3.80 1.07 -1.84 0.00 0.11 -4.68 121.76 117.52 1wh0 s ALA 120 Ca 0.21 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 1wh0 s ALA 120 Cb -0.02 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 21.04 1wh0 s ALA 120 CO 0.13 0.61 0.30 -0.35 0.00 0.00 0.00 175.76 176.46 1wh0 n PRO 121 N 1.13 -1.61 -3.68 0.00 -0.04 -1.26 -4.96 135.00 124.58 1wh0 n PRO 121 Ca -0.11 -0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 62.77 1wh0 n PRO 121 Cb 0.53 -0.45 -0.10 0.00 -0.04 0.00 0.00 33.50 33.44 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 -1.28 0.79 0.55 0.00 -1.26 -5.17 121.76 112.40 1wh0 s ALA 122 Ca 0.20 1.77 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 1wh0 s ALA 122 Cb -0.02 -1.06 0.16 0.00 0.00 0.00 0.00 23.12 22.19 1wh0 s ALA 122 CO 0.15 -0.30 1.08 0.00 0.00 0.00 0.00 175.76 176.70 1wh0 s ALA 123 N 1.44 3.42 -0.89 0.00 0.00 -1.26 -4.98 121.76 119.50 1wh0 s ALA 123 Ca -0.09 -1.72 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 1wh0 s ALA 123 Cb -0.07 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1wh0 s ALA 123 CO -0.14 -1.74 1.66 0.50 0.00 0.00 0.00 175.76 176.03 1wh0 s ARG 124 N -5.33 3.05 -0.13 0.00 3.52 -1.26 -4.91 118.95 113.89 1wh0 s ARG 124 Ca 0.69 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.75 1wh0 s ARG 124 Cb -0.04 -4.97 0.06 0.00 -1.56 0.00 0.00 34.95 28.44 1wh0 s ARG 124 CO 0.47 -2.68 0.29 0.08 -0.81 0.00 0.00 175.30 172.64 1wh0 s VAL 125 N 7.42 -0.29 0.00 7.11 1.01 -1.26 -5.01 120.40 129.37 1wh0 s VAL 125 Ca 0.56 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1wh0 s VAL 125 Cb -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1wh0 s VAL 125 CO 0.01 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1wh0 n GLY 126 N 4.93 2.14 0.00 4.51 0.00 -1.26 -4.89 105.19 110.61 1wh0 n GLY 126 Ca -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -1.29 3.29 -0.02 0.00 -1.26 -5.19 105.19 100.72 1wh0 n GLY 127 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 46.02 46.76 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 0.11 -0.10 4.61 0.00 -1.26 -5.18 121.76 119.94 1wh0 s ALA 128 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 1wh0 s ALA 128 Cb 0.00 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1wh0 s ALA 128 CO 0.00 -0.60 0.37 0.45 0.00 0.00 0.00 175.76 175.98 1wh0 s SER 129 N -2.96 -0.34 -0.43 0.00 0.15 -1.26 -5.08 113.70 103.77 1wh0 s SER 129 Ca 0.16 0.56 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1wh0 s SER 129 Cb 0.04 0.63 0.19 0.00 -1.71 0.00 0.00 66.02 65.18 1wh0 s SER 129 CO -0.01 -0.24 0.84 -0.83 1.20 0.00 0.00 173.24 174.20 1wh0 s GLY 130 N -0.30 -1.47 0.00 9.45 0.00 -1.26 -4.99 107.32 108.76 1wh0 s GLY 130 Ca -0.04 0.13 0.15 0.00 0.00 0.00 0.00 44.72 44.96 1wh0 s GLY 130 CO 0.02 3.90 1.38 -1.55 0.00 0.00 0.00 173.10 176.85 1wh0 n PRO 131 N 3.19 0.31 -0.09 2.90 -0.04 -1.26 -1.47 135.00 138.53 1wh0 n PRO 131 Ca 0.14 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1wh0 n PRO 131 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1wh0 n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh0 n SER 132 N -1.18 1.93 0.03 3.54 2.88 -1.26 -4.53 113.62 115.03 1wh0 n SER 132 Ca 0.09 0.34 -0.19 0.00 -1.33 0.00 0.00 58.87 57.78 1wh0 n SER 132 Cb 0.09 -0.89 -0.13 0.00 -0.75 0.00 0.00 64.21 62.53 1wh0 n SER 132 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wh0 h SER 133 N -0.77 0.49 0.00 -3.46 0.87 -1.96 -3.57 113.55 105.16 1wh0 h SER 133 Ca -0.45 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.23 1wh0 h SER 133 Cb 1.53 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1wh0 h SER 133 CO -0.20 1.32 0.00 0.61 -0.53 0.00 0.00 176.83 178.03