#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 0.11 -4.78 1.61 2.88 -1.26 -5.12 113.62 107.07 1wh0 n SER 2 Ca 0.00 0.04 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 1wh0 n SER 2 Cb 0.00 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 1wh0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh0 s SER 3 N -5.11 4.28 0.41 -3.46 1.04 -1.26 -5.09 113.70 104.52 1wh0 s SER 3 Ca 0.00 -1.41 -0.13 0.00 0.48 0.00 0.00 55.95 54.89 1wh0 s SER 3 Cb 0.00 0.19 -0.11 0.00 0.10 0.00 0.00 66.02 66.20 1wh0 s SER 3 CO 0.00 -0.81 -0.13 0.61 0.98 0.00 0.00 173.24 173.89 1wh0 n GLY 4 N -1.35 -2.51 0.13 7.32 0.00 -1.26 -4.92 105.19 102.61 1wh0 n GLY 4 Ca -0.10 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1wh0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh0 n SER 5 N 1.94 1.98 -3.59 1.61 2.88 -1.26 -5.06 113.62 112.12 1wh0 n SER 5 Ca 0.05 0.12 -0.15 0.00 -1.33 0.00 0.00 58.87 57.57 1wh0 n SER 5 Cb 0.36 -0.66 -0.07 0.00 -0.75 0.00 0.00 64.21 63.09 1wh0 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh0 s SER 6 N -6.96 0.86 0.00 -3.46 1.04 -1.26 -5.14 113.70 98.79 1wh0 s SER 6 Ca -0.34 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.60 1wh0 s SER 6 Cb 0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1wh0 s SER 6 CO 0.58 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1wh0 n GLY 7 N -0.49 0.70 3.31 7.32 0.00 -1.26 -5.10 105.19 109.66 1wh0 n GLY 7 Ca 0.03 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.07 1.61 3.14 -1.26 -4.50 118.33 116.25 1wh0 n VAL 8 Ca 0.00 -0.31 -0.30 0.00 -2.96 0.00 0.00 64.34 60.77 1wh0 n VAL 8 Cb 0.00 -0.65 -0.11 0.00 -1.06 0.00 0.00 33.84 32.02 1wh0 n VAL 8 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1wh0 n ASP 9 N -2.06 0.23 -4.41 6.55 8.00 -1.26 -4.77 116.55 118.83 1wh0 n ASP 9 Ca 0.01 0.15 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 1wh0 n ASP 9 Cb 0.61 -0.66 0.06 0.00 -0.02 0.00 0.00 41.12 41.10 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 6.07 0.27 0.00 -1.24 1.02 -1.26 -4.79 120.64 120.72 1wh0 n GLU 10 Ca 0.47 0.12 0.01 0.00 -0.02 0.00 0.00 57.16 57.75 1wh0 n GLU 10 Cb 0.02 -1.66 0.09 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.18 0.49 -0.24 3.49 -0.04 -1.26 -4.25 135.00 133.01 1wh0 n PRO 11 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1wh0 n PRO 11 Cb 0.50 -1.10 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.60 -0.26 -0.33 0.54 0.28 -1.26 0.24 120.64 119.27 1wh0 n GLU 12 Ca 0.02 0.94 0.17 0.00 -0.16 0.00 0.00 57.16 58.13 1wh0 n GLU 12 Cb 0.01 -1.38 0.37 0.00 1.43 0.00 0.00 31.44 31.87 1wh0 n GLU 12 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1wh0 h SER 13 N 0.00 0.46 -4.14 -1.84 0.02 -1.97 -3.40 113.55 102.68 1wh0 h SER 13 Ca 0.09 0.16 -0.49 0.00 -0.84 0.00 0.00 61.79 60.72 1wh0 h SER 13 Cb 0.24 0.12 0.05 0.00 0.14 0.00 0.00 62.40 62.95 1wh0 h SER 13 CO -0.55 -0.02 0.39 -0.04 -1.14 0.00 0.00 176.83 175.48 1wh0 s MET 14 N -5.80 3.47 0.10 3.45 -1.94 0.68 -4.97 119.30 114.28 1wh0 s MET 14 Ca -0.11 1.33 -0.12 0.00 -1.71 0.00 0.00 55.69 55.08 1wh0 s MET 14 Cb 0.27 -2.05 -0.06 0.00 2.01 0.00 0.00 34.83 35.00 1wh0 s MET 14 CO 0.79 -0.71 0.46 0.08 -0.01 0.00 0.00 175.02 175.63 1wh0 s VAL 15 N -2.17 4.99 -0.11 -6.03 1.01 -0.53 -4.96 120.40 112.59 1wh0 s VAL 15 Ca 0.66 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1wh0 s VAL 15 Cb -0.18 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1wh0 s VAL 15 CO 0.29 0.31 -0.12 0.20 0.00 0.00 0.00 175.10 175.78 1wh0 s ASN 16 N -1.66 4.12 0.10 3.32 0.01 -1.26 0.75 114.94 120.31 1wh0 s ASN 16 Ca 0.34 -0.27 -0.22 0.00 -0.71 0.00 0.00 52.86 52.00 1wh0 s ASN 16 Cb -0.15 -1.46 -0.07 0.00 0.41 0.00 0.00 41.25 39.98 1wh0 s ASN 16 CO 0.18 0.21 0.66 -0.76 -1.51 0.00 0.00 177.10 175.88 1wh0 s LEU 17 N 0.09 4.54 -0.04 0.60 1.43 -0.10 -4.83 118.68 120.37 1wh0 s LEU 17 Ca -0.05 1.41 0.20 0.00 -1.03 0.00 0.00 54.13 54.66 1wh0 s LEU 17 Cb -0.15 -3.07 -0.23 0.00 0.03 0.00 0.00 46.19 42.77 1wh0 s LEU 17 CO 0.04 0.22 0.50 0.00 0.23 0.00 0.00 176.35 177.34 1wh0 n ALA 18 N 1.82 2.18 -3.65 4.21 0.00 -1.26 -4.58 120.51 119.23 1wh0 n ALA 18 Ca -0.08 -0.74 -0.05 0.00 0.00 0.00 0.00 53.44 52.57 1wh0 n ALA 18 Cb 0.50 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.06 -1.13 -0.16 0.00 5.36 -1.26 -4.80 117.98 112.94 1wh0 s PHE 19 Ca -0.07 2.12 0.00 0.00 -0.96 0.00 0.00 56.93 58.03 1wh0 s PHE 19 Cb 0.10 0.66 0.03 0.00 -0.34 0.00 0.00 43.02 43.47 1wh0 s PHE 19 CO 0.85 -0.57 -0.12 0.08 -1.46 0.00 0.00 175.22 174.00 1wh0 s VAL 20 N 2.12 1.53 -0.62 3.12 1.01 -1.26 -4.95 120.40 121.35 1wh0 s VAL 20 Ca -0.08 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1wh0 s VAL 20 Cb -0.08 -1.50 -0.13 0.00 0.00 0.00 0.00 36.38 34.67 1wh0 s VAL 20 CO -0.19 0.36 2.46 1.17 0.00 0.00 0.00 175.10 178.90 1wh0 n LYS 21 N 4.77 0.72 -3.62 2.72 0.00 -1.26 -4.87 118.16 116.62 1wh0 n LYS 21 Ca -0.16 0.06 -0.12 0.00 0.00 0.00 0.00 58.31 58.10 1wh0 n LYS 21 Cb 0.49 -2.61 -0.05 0.00 0.00 0.00 0.00 35.03 32.86 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 10.14 -0.30 -0.10 3.14 6.03 -1.26 -0.71 114.94 131.87 1wh0 s ASN 22 Ca 1.13 -0.12 0.00 0.00 -1.03 0.00 0.00 52.86 52.84 1wh0 s ASN 22 Cb -0.67 0.47 0.02 0.00 -3.03 0.00 0.00 41.25 38.04 1wh0 s ASN 22 CO 0.38 -0.78 -0.08 -0.62 -2.03 0.00 0.00 177.10 173.97 1wh0 s ASP 23 N -2.43 2.01 -0.18 3.54 2.15 0.13 -4.93 116.67 116.96 1wh0 s ASP 23 Ca -0.01 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 1wh0 s ASP 23 Cb 0.00 -0.80 -0.00 0.00 -0.30 0.00 0.00 42.92 41.82 1wh0 s ASP 23 CO -0.08 -0.09 -0.11 -0.55 -0.17 0.00 0.00 175.17 174.18 1wh0 s SER 24 N 1.46 3.91 0.01 -0.34 0.15 -1.26 0.56 113.70 118.20 1wh0 s SER 24 Ca 0.00 -0.44 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1wh0 s SER 24 Cb -0.13 -1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1wh0 s SER 24 CO -0.05 0.04 -0.14 -0.72 1.20 0.00 0.00 173.24 173.57 1wh0 s TYR 25 N 1.11 2.69 0.01 3.44 1.13 0.10 -4.96 117.35 120.87 1wh0 s TYR 25 Ca 0.01 -0.17 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 1wh0 s TYR 25 Cb -0.14 -1.54 -0.05 0.00 -1.10 0.00 0.00 41.96 39.12 1wh0 s TYR 25 CO -0.03 0.27 1.22 -1.83 -2.51 0.00 0.00 175.55 172.67 1wh0 s GLU 26 N -1.26 4.39 0.25 -3.49 1.03 -1.26 -1.05 118.70 117.31 1wh0 s GLU 26 Ca 0.15 1.75 0.11 0.00 0.03 0.00 0.00 54.97 57.01 1wh0 s GLU 26 Cb -0.11 -3.45 -0.05 0.00 -0.80 0.00 0.00 34.13 29.73 1wh0 s GLU 26 CO 0.05 -0.36 -0.20 0.21 -1.33 0.00 0.00 175.26 173.63 1wh0 s LYS 27 N 1.62 1.60 1.21 -4.83 2.20 0.24 -4.90 119.74 116.88 1wh0 s LYS 27 Ca 0.58 -1.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1wh0 s LYS 27 Cb -0.28 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1wh0 s LYS 27 CO 0.26 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 1wh0 n GLY 28 N -0.44 0.68 0.09 5.54 0.00 -1.26 -0.41 105.19 109.38 1wh0 n GLY 28 Ca -0.07 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.09 0.00 1.61 0.13 -2.01 -3.38 132.00 128.26 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 0.36 -0.11 -0.40 -0.23 0.00 0.00 178.00 177.62 1wh0 n ASP 30 N -4.91 1.14 -4.88 1.44 5.68 -1.26 -4.41 116.55 109.36 1wh0 n ASP 30 Ca -0.08 -2.01 -0.30 0.00 -0.50 0.00 0.00 54.79 51.89 1wh0 n ASP 30 Cb 0.25 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.21 6.47 -0.25 -1.12 0.01 0.45 -0.22 113.70 117.83 1wh0 s SER 31 Ca 0.08 1.13 -0.07 0.00 1.31 0.00 0.00 55.95 58.40 1wh0 s SER 31 Cb 0.07 -2.33 0.12 0.00 0.21 0.00 0.00 66.02 64.09 1wh0 s SER 31 CO 0.01 -0.46 0.52 -0.69 0.41 0.00 0.00 173.24 173.03 1wh0 s VAL 32 N -2.48 -0.81 0.13 3.43 1.01 -0.54 0.80 120.40 121.93 1wh0 s VAL 32 Ca 0.51 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1wh0 s VAL 32 Cb -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1wh0 s VAL 32 CO 0.35 0.02 0.34 -0.69 0.00 0.00 0.00 175.10 175.12 1wh0 s VAL 33 N 2.74 5.21 -0.01 2.92 1.01 -0.21 -0.23 120.40 131.83 1wh0 s VAL 33 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1wh0 s VAL 33 Cb -0.13 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1wh0 s VAL 33 CO -0.16 0.05 -0.19 -0.69 0.00 0.00 0.00 175.10 174.11 1wh0 s VAL 34 N -1.63 1.50 -0.31 2.92 1.01 -0.87 -0.72 120.40 122.29 1wh0 s VAL 34 Ca 0.40 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1wh0 s VAL 34 Cb -0.12 -1.25 0.09 0.00 0.00 0.00 0.00 36.38 35.10 1wh0 s VAL 34 CO 0.25 0.42 0.02 -1.00 0.00 0.00 0.00 175.10 174.79 1wh0 s HIS 35 N -0.46 3.38 -0.24 5.22 3.76 0.19 -3.00 115.29 124.15 1wh0 s HIS 35 Ca 0.07 -2.67 -0.17 0.00 -0.15 0.00 0.00 55.06 52.15 1wh0 s HIS 35 Cb -0.07 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 1wh0 s HIS 35 CO -0.01 -0.92 0.45 0.08 -0.85 0.00 0.00 174.74 173.50 1wh0 s VAL 36 N 1.04 5.13 -0.72 -0.90 1.01 -0.75 0.17 120.40 125.39 1wh0 s VAL 36 Ca 0.06 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 1wh0 s VAL 36 Cb -0.19 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1wh0 s VAL 36 CO -0.09 0.16 1.38 -0.31 0.00 0.00 0.00 175.10 176.24 1wh0 s TYR 37 N 1.90 2.17 -0.18 5.22 1.51 0.11 -1.34 117.35 126.74 1wh0 s TYR 37 Ca 0.19 0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 56.05 1wh0 s TYR 37 Cb -0.15 -4.54 0.12 0.00 -0.11 0.00 0.00 41.96 37.28 1wh0 s TYR 37 CO 0.09 -2.12 0.99 0.54 -1.11 0.00 0.00 175.55 173.94 1wh0 s VAL 38 N 6.31 0.00 0.37 0.71 0.11 -1.07 -4.79 120.40 122.03 1wh0 s VAL 38 Ca 0.40 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.51 1wh0 s VAL 38 Cb -0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1wh0 s VAL 38 CO 0.16 0.00 0.20 -0.54 -3.33 0.00 0.00 175.10 171.59 1wh0 s LYS 39 N -0.86 1.84 -1.54 1.54 1.02 -1.26 -2.97 119.74 117.51 1wh0 s LYS 39 Ca -0.01 -2.09 -0.14 0.00 0.02 0.00 0.00 55.97 53.74 1wh0 s LYS 39 Cb -0.01 -0.12 0.09 0.00 -0.52 0.00 0.00 37.83 37.27 1wh0 s LYS 39 CO 0.01 -0.57 0.94 0.39 -0.92 0.00 0.00 175.35 175.19 1wh0 n GLU 40 N -0.76 -5.18 -3.14 1.68 1.02 -1.26 -3.68 120.64 109.31 1wh0 n GLU 40 Ca 0.01 0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 57.42 1wh0 n GLU 40 Cb 0.64 -5.45 -0.04 0.00 -0.02 0.00 0.00 31.44 26.57 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wh0 s ILE 41 N -3.27 4.89 -0.48 -3.67 1.01 -1.26 -2.16 121.20 116.26 1wh0 s ILE 41 Ca 0.66 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.58 1wh0 s ILE 41 Cb -0.33 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.52 1wh0 s ILE 41 CO 0.81 -0.35 0.39 0.00 0.00 0.00 0.00 174.94 175.79 1wh0 n ARG 43 N 5.14 0.40 -0.01 0.00 1.74 -1.26 -1.26 116.66 121.41 1wh0 n ARG 43 Ca -0.12 0.04 -0.20 0.00 -0.77 0.00 0.00 57.85 56.79 1wh0 n ARG 43 Cb 0.42 -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 -1.07 2.05 -0.86 0.55 9.92 -1.26 -4.29 116.55 121.59 1wh0 n ASP 44 Ca 0.10 0.20 0.08 0.00 -0.53 0.00 0.00 54.79 54.64 1wh0 n ASP 44 Cb 0.07 -0.79 0.25 0.00 -0.64 0.00 0.00 41.12 40.01 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 2.12 -4.08 -3.53 -2.24 -1.02 -4.93 114.28 97.15 1wh0 n THR 45 Ca -0.32 -1.76 -0.32 0.00 -2.27 0.00 0.00 64.05 59.38 1wh0 n THR 45 Cb 1.04 -0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.81 3.29 0.39 3.42 0.01 -0.39 -4.27 113.70 114.34 1wh0 s SER 46 Ca 0.40 -0.76 0.04 0.00 1.31 0.00 0.00 55.95 56.93 1wh0 s SER 46 Cb 0.31 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 1wh0 s SER 46 CO 0.10 -0.05 0.13 0.00 0.41 0.00 0.00 173.24 173.82 1wh0 s ARG 47 N 1.30 1.86 -0.03 12.44 1.70 0.38 -4.78 118.95 131.81 1wh0 s ARG 47 Ca 0.02 -2.12 -0.01 0.00 -0.47 0.00 0.00 55.73 53.15 1wh0 s ARG 47 Cb -0.14 -0.55 0.03 0.00 -0.57 0.00 0.00 34.95 33.72 1wh0 s ARG 47 CO -0.11 -0.45 0.05 0.08 -1.08 0.00 0.00 175.30 173.79 1wh0 s VAL 48 N -3.27 -0.09 -0.40 4.99 1.01 -1.26 -0.82 120.40 120.56 1wh0 s VAL 48 Ca 0.27 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.44 1wh0 s VAL 48 Cb 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.32 1wh0 s VAL 48 CO 0.15 0.14 0.27 -0.76 0.00 0.00 0.00 175.10 174.90 1wh0 s LEU 49 N 1.66 5.02 -0.41 3.92 1.43 0.63 -4.99 118.68 125.94 1wh0 s LEU 49 Ca -0.02 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.87 1wh0 s LEU 49 Cb -0.12 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1wh0 s LEU 49 CO -0.03 -0.45 0.74 -0.36 0.23 0.00 0.00 176.35 176.48 1wh0 s PHE 50 N 1.62 3.07 0.50 0.29 0.08 -1.26 -0.52 117.98 121.76 1wh0 s PHE 50 Ca 0.04 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1wh0 s PHE 50 Cb -0.20 -3.45 0.10 0.00 -0.57 0.00 0.00 43.02 38.90 1wh0 s PHE 50 CO 0.08 -0.83 0.69 0.54 -0.10 0.00 0.00 175.22 175.60 1wh0 n ARG 51 N 6.45 0.23 0.09 0.44 5.12 0.46 -4.66 116.66 124.78 1wh0 n ARG 51 Ca 0.01 -2.03 -0.23 0.00 -1.93 0.00 0.00 57.85 53.67 1wh0 n ARG 51 Cb 0.48 -0.41 -0.15 0.00 -1.16 0.00 0.00 32.46 31.22 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 0.42 -0.03 5.56 4.11 -1.97 -3.34 114.58 119.33 1wh0 h GLU 52 Ca -0.23 -0.72 -0.00 0.00 0.07 0.00 0.00 59.36 58.48 1wh0 h GLU 52 Cb 0.89 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wh0 h GLU 52 CO 0.26 1.34 -0.07 0.94 0.07 0.00 0.00 179.01 181.56 1wh0 n GLN 53 N -3.76 1.47 -3.25 1.06 7.27 -1.26 0.17 117.38 119.08 1wh0 n GLN 53 Ca -0.20 -2.71 -0.00 0.00 0.07 0.00 0.00 57.00 54.15 1wh0 n GLN 53 Cb 1.03 -1.55 0.01 0.00 2.41 0.00 0.00 30.24 32.14 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 -1.31 -1.06 -3.33 1.69 5.75 -1.26 -2.52 116.55 114.51 1wh0 n ASP 54 Ca 0.17 -1.44 0.02 0.00 -0.01 0.00 0.00 54.79 53.54 1wh0 n ASP 54 Cb 0.68 1.70 -0.02 0.00 -1.03 0.00 0.00 41.12 42.44 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 -2.83 -1.15 0.07 2.11 -0.12 -1.17 -0.40 117.98 114.49 1wh0 s PHE 55 Ca 0.19 1.54 -0.11 0.00 -0.05 0.00 0.00 56.93 58.49 1wh0 s PHE 55 Cb -0.01 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.84 1wh0 s PHE 55 CO 0.02 -0.60 0.42 0.99 -0.05 0.00 0.00 175.22 176.00 1wh0 s THR 56 N 2.80 5.05 -0.26 -4.49 2.01 0.32 -3.07 115.64 118.01 1wh0 s THR 56 Ca 0.05 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.64 1wh0 s THR 56 Cb -0.11 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.80 1wh0 s THR 56 CO -0.18 0.34 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.86 1wh0 s LEU 57 N -1.74 2.78 -0.31 4.42 2.96 0.60 -0.27 118.68 127.11 1wh0 s LEU 57 Ca 0.32 -1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 52.77 1wh0 s LEU 57 Cb -0.15 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1wh0 s LEU 57 CO 0.17 -0.28 0.14 -0.63 -1.32 0.00 0.00 176.35 174.43 1wh0 s ILE 58 N 1.38 4.42 -0.12 6.68 1.09 0.00 -1.68 121.20 132.97 1wh0 s ILE 58 Ca -0.01 -0.54 -0.12 0.00 -1.10 0.00 0.00 60.65 58.87 1wh0 s ILE 58 Cb -0.19 -3.29 0.03 0.00 -1.06 0.00 0.00 42.46 37.96 1wh0 s ILE 58 CO -0.09 0.04 0.34 0.72 -0.10 0.00 0.00 174.94 175.85 1wh0 s PHE 59 N 1.57 -0.37 -0.42 3.97 -0.12 -1.11 0.14 117.98 121.65 1wh0 s PHE 59 Ca 0.04 0.88 -0.13 0.00 -0.05 0.00 0.00 56.93 57.67 1wh0 s PHE 59 Cb -0.17 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1wh0 s PHE 59 CO 0.05 -0.19 0.30 -0.65 -0.05 0.00 0.00 175.22 174.67 1wh0 s GLN 60 N 0.10 2.87 0.03 1.99 -0.21 -1.26 -3.67 119.66 119.51 1wh0 s GLN 60 Ca -0.01 -1.20 -0.00 0.00 0.02 0.00 0.00 55.36 54.17 1wh0 s GLN 60 Cb -0.03 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 1wh0 s GLN 60 CO 0.01 -0.85 0.15 -0.08 -2.12 0.00 0.00 175.29 172.39 1wh0 s THR 61 N 1.59 5.07 -0.11 -0.19 -1.32 -1.26 -2.28 115.64 117.15 1wh0 s THR 61 Ca 0.04 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1wh0 s THR 61 Cb -0.21 -3.41 0.02 0.00 -1.51 0.00 0.00 72.50 67.39 1wh0 s THR 61 CO 0.07 0.22 0.88 -2.11 -2.21 0.00 0.00 174.62 171.47 1wh0 n ARG 62 N 0.66 1.84 -1.90 7.08 1.85 -0.92 -4.21 116.66 121.07 1wh0 n ARG 62 Ca -0.09 -1.26 -0.43 0.00 -1.00 0.00 0.00 57.85 55.07 1wh0 n ARG 62 Cb 0.52 -1.03 -0.03 0.00 -1.05 0.00 0.00 32.46 30.88 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 -0.73 5.97 0.57 2.89 -1.08 -1.24 -4.84 116.67 118.21 1wh0 s ASP 63 Ca 0.02 1.68 0.30 0.00 -0.52 0.00 0.00 52.55 54.03 1wh0 s ASP 63 Cb 0.01 -2.52 1.46 0.00 -1.46 0.00 0.00 42.92 40.40 1wh0 s ASP 63 CO 0.02 -1.58 1.87 1.23 0.52 0.00 0.00 175.17 177.22 1wh0 h GLY 64 N 13.18 0.00 1.65 2.66 0.00 -1.94 0.41 103.07 119.02 1wh0 h GLY 64 Ca -0.37 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1wh0 h GLY 64 CO 0.99 0.00 -0.49 3.43 0.00 0.00 0.00 176.54 180.47 1wh0 h ASN 65 N 0.00 0.41 0.29 0.19 2.35 -1.99 -0.81 115.58 116.02 1wh0 h ASN 65 Ca 0.32 -0.20 -0.33 0.00 -0.55 0.00 0.00 56.30 55.53 1wh0 h ASN 65 Cb 1.49 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 1wh0 h ASN 65 CO -0.00 0.84 -1.77 0.15 -1.65 0.00 0.00 177.43 174.99 1wh0 h PHE 66 N 0.30 0.43 0.18 1.19 3.04 -0.74 -3.36 116.94 117.98 1wh0 h PHE 66 Ca 0.01 -0.31 -0.01 0.00 3.98 0.00 0.00 57.97 61.64 1wh0 h PHE 66 Cb 0.98 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1wh0 h PHE 66 CO 0.03 1.52 -0.09 -0.07 -2.02 0.00 0.00 178.31 177.68 1wh0 h LEU 67 N 0.06 -0.21 -0.98 0.59 3.38 -0.66 -3.13 115.31 114.37 1wh0 h LEU 67 Ca -0.34 -0.26 0.33 0.00 0.09 0.00 0.00 57.88 57.71 1wh0 h LEU 67 Cb 2.04 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 42.67 1wh0 h LEU 67 CO 0.12 0.17 0.32 0.03 0.09 0.00 0.00 178.44 179.18 1wh0 h ARG 68 N -0.61 0.06 -0.78 1.13 3.08 -1.33 0.97 114.38 116.89 1wh0 h ARG 68 Ca -0.02 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1wh0 h ARG 68 Cb 0.45 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1wh0 h ARG 68 CO 0.04 0.04 0.48 -0.07 -1.07 0.00 0.00 179.97 179.39 1wh0 h LEU 69 N 0.06 0.76 -7.70 3.04 3.38 -1.69 -3.31 115.31 109.85 1wh0 h LEU 69 Ca 0.71 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 57.95 1wh0 h LEU 69 Cb 1.69 -0.15 -0.30 0.00 0.09 0.00 0.00 40.66 41.99 1wh0 h LEU 69 CO -0.79 0.50 -0.10 -1.00 0.09 0.00 0.00 178.44 177.13 1wh0 s HIS 70 N -6.09 3.61 0.86 1.13 3.76 0.33 -4.36 115.29 114.54 1wh0 s HIS 70 Ca -0.13 -2.34 -0.11 0.00 -0.15 0.00 0.00 55.06 52.33 1wh0 s HIS 70 Cb 0.17 -3.54 0.11 0.00 1.11 0.00 0.00 32.58 30.43 1wh0 s HIS 70 CO 0.78 -0.92 1.09 -1.25 -0.85 0.00 0.00 174.74 173.59 1wh0 s PRO 71 N 0.01 1.54 0.00 8.40 0.04 -1.25 -3.67 135.00 140.08 1wh0 s PRO 71 Ca 0.18 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1wh0 s PRO 71 Cb -0.14 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1wh0 s PRO 71 CO -0.06 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.32 1wh0 n GLY 72 N -1.16 2.47 3.27 0.56 0.00 -1.26 -4.99 105.19 104.08 1wh0 n GLY 72 Ca 0.08 0.00 -0.28 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 -0.50 3.41 0.20 0.00 0.00 -1.26 -5.01 105.19 102.03 1wh0 n GLY 74 Ca -0.16 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.55 1.61 0.13 -1.90 -2.59 132.00 128.70 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 -3.69 0.73 -3.10 1.56 1.44 -1.26 -4.37 115.22 106.52 1wh0 n HIS 76 Ca -0.01 -0.36 -0.43 0.00 -2.01 0.00 0.00 57.72 54.91 1wh0 n HIS 76 Cb 0.44 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.27 4.81 0.32 0.61 2.01 -0.98 -5.03 115.64 116.10 1wh0 s THR 77 Ca 0.38 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 1wh0 s THR 77 Cb 0.20 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.36 1wh0 s THR 77 CO 0.27 -0.65 1.57 -0.89 -0.69 0.00 0.00 174.62 174.23 1wh0 s THR 78 N 2.86 2.03 -0.13 -0.82 2.01 -1.26 -4.73 115.64 115.60 1wh0 s THR 78 Ca 0.22 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1wh0 s THR 78 Cb -0.15 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1wh0 s THR 78 CO 0.18 0.01 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.54 1wh0 s PHE 79 N -0.29 2.66 -0.30 4.92 0.08 -1.24 -1.46 117.98 122.35 1wh0 s PHE 79 Ca 0.61 -1.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 1wh0 s PHE 79 Cb -0.48 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1wh0 s PHE 79 CO 0.52 -0.54 0.04 0.50 -0.10 0.00 0.00 175.22 175.64 1wh0 s ARG 80 N 0.68 2.72 -0.44 0.44 3.52 0.23 -2.74 118.95 123.35 1wh0 s ARG 80 Ca -0.10 -1.09 -0.09 0.00 -0.13 0.00 0.00 55.73 54.32 1wh0 s ARG 80 Cb -0.16 -3.26 0.10 0.00 -1.56 0.00 0.00 34.95 30.06 1wh0 s ARG 80 CO 0.01 -0.55 0.30 -0.46 -0.81 0.00 0.00 175.30 173.80 1wh0 s TRP 81 N 1.37 3.38 -0.20 5.12 -0.00 -0.68 -0.92 118.94 127.01 1wh0 s TRP 81 Ca -0.01 -1.71 -0.08 0.00 -0.00 0.00 0.00 56.10 54.30 1wh0 s TRP 81 Cb -0.18 -3.23 -0.04 0.00 -0.00 0.00 0.00 33.47 30.01 1wh0 s TRP 81 CO 0.00 -0.92 0.09 -1.14 -0.00 0.00 0.00 176.95 174.98 1wh0 s GLN 82 N 1.39 4.00 -0.07 5.86 0.74 -1.26 -0.29 119.66 130.02 1wh0 s GLN 82 Ca 0.04 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.17 1wh0 s GLN 82 Cb -0.25 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.53 1wh0 s GLN 82 CO 0.01 0.20 -0.17 0.08 -0.55 0.00 0.00 175.29 174.86 1wh0 s VAL 83 N 0.60 2.80 -0.48 1.34 1.01 -1.17 -5.01 120.40 119.48 1wh0 s VAL 83 Ca 0.05 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1wh0 s VAL 83 Cb -0.13 -2.10 0.07 0.00 0.00 0.00 0.00 36.38 34.23 1wh0 s VAL 83 CO 0.01 0.57 0.44 -0.75 0.00 0.00 0.00 175.10 175.36 1wh0 s LYS 84 N -0.28 3.00 -0.12 2.72 2.20 -1.26 -3.02 119.74 122.99 1wh0 s LYS 84 Ca 0.01 -1.28 -0.27 0.00 -0.36 0.00 0.00 55.97 54.07 1wh0 s LYS 84 Cb -0.13 -4.13 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 1wh0 s LYS 84 CO 0.03 -1.07 0.87 -0.51 -0.36 0.00 0.00 175.35 174.31 1wh0 s LEU 85 N 1.80 4.24 0.08 5.43 1.43 -1.05 -1.22 118.68 129.39 1wh0 s LEU 85 Ca 0.06 1.33 -0.25 0.00 -1.03 0.00 0.00 54.13 54.23 1wh0 s LEU 85 Cb -0.24 -3.33 -0.11 0.00 0.03 0.00 0.00 46.19 42.55 1wh0 s LEU 85 CO 0.07 -0.35 1.41 0.03 0.23 0.00 0.00 176.35 177.74 1wh0 h ARG 86 N 7.11 -0.51 -7.32 1.70 2.47 -1.83 -3.44 114.38 112.56 1wh0 h ARG 86 Ca -0.33 0.03 -0.46 0.00 -1.26 0.00 0.00 59.98 57.97 1wh0 h ARG 86 Cb 1.16 0.12 0.10 0.00 -1.65 0.00 0.00 29.97 29.69 1wh0 h ARG 86 CO 0.82 -0.34 0.21 -0.80 0.56 0.00 0.00 179.97 180.42 1wh0 s ASN 87 N -4.11 4.29 0.56 7.04 0.01 -1.26 -5.08 114.94 116.39 1wh0 s ASN 87 Ca -0.12 0.08 -0.08 0.00 -0.71 0.00 0.00 52.86 52.04 1wh0 s ASN 87 Cb 0.05 -0.52 -0.03 0.00 0.41 0.00 0.00 41.25 41.16 1wh0 s ASN 87 CO 0.45 -1.92 0.91 -0.76 -1.51 0.00 0.00 177.10 174.26 1wh0 s LEU 88 N -5.32 3.39 0.00 0.60 1.43 -1.26 -4.78 118.68 112.74 1wh0 s LEU 88 Ca 0.65 1.10 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 1wh0 s LEU 88 Cb -0.07 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1wh0 s LEU 88 CO 0.46 -0.79 0.24 2.30 0.23 0.00 0.00 176.35 178.79 1wh0 n ILE 89 N -2.52 0.00 -3.95 -0.59 -5.35 0.13 -3.54 119.36 103.53 1wh0 n ILE 89 Ca 0.03 -2.10 -0.30 0.00 -0.27 0.00 0.00 62.75 60.11 1wh0 n ILE 89 Cb 0.55 1.03 -0.14 0.00 -1.74 0.00 0.00 39.64 39.34 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 -3.18 1.84 0.39 6.28 2.02 0.17 -4.72 118.70 121.49 1wh0 s GLU 90 Ca 0.33 -2.44 0.28 0.00 0.02 0.00 0.00 54.97 53.17 1wh0 s GLU 90 Cb 0.02 -3.25 1.17 0.00 0.10 0.00 0.00 34.13 32.17 1wh0 s GLU 90 CO 0.24 -1.08 1.84 -1.00 0.02 0.00 0.00 175.26 175.28 1wh0 h PRO 91 N 6.75 0.00 0.00 0.39 0.13 -1.83 -2.64 132.00 134.79 1wh0 h PRO 91 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1wh0 h PRO 91 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wh0 h PRO 91 CO 0.65 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.35 1wh0 h GLU 92 N 0.00 0.00 0.00 0.86 5.08 -1.91 -2.85 114.58 115.76 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 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wh0 h GLU 92 CO 0.00 0.00 -0.53 1.04 -1.00 0.00 0.00 179.01 178.52 1wh0 n GLN 93 N -2.78 3.81 -1.24 2.33 6.02 -1.02 -5.04 117.38 119.46 1wh0 n GLN 93 Ca 0.01 -0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 1wh0 n GLN 93 Cb 0.25 -0.87 0.11 0.00 1.02 0.00 0.00 30.24 30.75 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 -2.31 0.07 -0.06 0.00 -4.23 -0.90 -5.01 115.64 103.20 1wh0 s THR 95 Ca 0.70 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1wh0 s THR 95 Cb -0.25 -0.46 0.02 0.00 1.34 0.00 0.00 72.50 73.15 1wh0 s THR 95 CO 0.50 -0.31 -0.06 0.72 -0.54 0.00 0.00 174.62 174.93 1wh0 s PHE 96 N -1.19 0.98 -0.15 3.99 -0.12 -1.26 -1.17 117.98 119.05 1wh0 s PHE 96 Ca -0.13 -0.33 -0.09 0.00 -0.05 0.00 0.00 56.93 56.33 1wh0 s PHE 96 Cb -0.06 -0.83 0.05 0.00 -0.63 0.00 0.00 43.02 41.55 1wh0 s PHE 96 CO 0.02 -0.26 0.37 0.00 -0.05 0.00 0.00 175.22 175.30 1wh0 s PHE 98 N 1.29 2.81 0.13 0.00 0.40 -1.26 -0.91 117.98 120.44 1wh0 s PHE 98 Ca -0.09 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1wh0 s PHE 98 Cb -0.08 -3.01 -0.00 0.00 0.51 0.00 0.00 43.02 40.43 1wh0 s PHE 98 CO -0.11 -1.50 0.02 0.25 0.70 0.00 0.00 175.22 174.58 1wh0 n THR 99 N -2.96 0.00 0.00 0.64 -2.24 0.42 -4.76 114.28 105.38 1wh0 n THR 99 Ca 0.09 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1wh0 n THR 99 Cb 0.53 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.51 -0.07 -1.00 6.98 0.00 -1.26 -3.84 120.51 118.81 1wh0 n ALA 100 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1wh0 n ALA 100 Cb 0.18 0.27 0.12 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.77 2.26 -3.90 0.00 3.41 -1.26 -4.83 113.62 107.53 1wh0 n SER 101 Ca 0.00 -2.97 -0.10 0.00 -0.26 0.00 0.00 58.87 55.54 1wh0 n SER 101 Cb 0.00 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.65 1.57 0.00 4.33 1.70 -1.16 -2.59 118.95 120.16 1wh0 s ARG 102 Ca 0.28 -1.37 0.05 0.00 -0.47 0.00 0.00 55.73 54.23 1wh0 s ARG 102 Cb 0.25 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 35.05 1wh0 s ARG 102 CO 0.03 -0.64 -0.15 0.42 -1.08 0.00 0.00 175.30 173.88 1wh0 s ILE 103 N -3.86 3.04 -0.11 4.99 1.01 -0.45 0.16 121.20 125.98 1wh0 s ILE 103 Ca 0.25 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1wh0 s ILE 103 Cb 0.00 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1wh0 s ILE 103 CO 0.11 0.44 -0.16 -0.62 0.00 0.00 0.00 174.94 174.72 1wh0 s ASP 104 N -1.17 3.81 -0.17 3.58 -1.08 -0.09 -1.82 116.67 119.74 1wh0 s ASP 104 Ca 0.14 -0.36 -0.04 0.00 -0.52 0.00 0.00 52.55 51.77 1wh0 s ASP 104 Cb -0.11 -1.42 0.06 0.00 -1.46 0.00 0.00 42.92 39.99 1wh0 s ASP 104 CO 0.04 0.20 0.07 -0.63 0.52 0.00 0.00 175.17 175.36 1wh0 s ILE 105 N 0.15 0.12 -0.22 4.11 1.01 -1.16 -1.18 121.20 124.03 1wh0 s ILE 105 Ca -0.08 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1wh0 s ILE 105 Cb -0.15 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1wh0 s ILE 105 CO 0.05 -0.21 0.67 0.00 0.00 0.00 0.00 174.94 175.45 1wh0 s LEU 107 N 2.26 3.01 -0.47 0.00 1.43 0.68 -2.12 118.68 123.47 1wh0 s LEU 107 Ca 0.29 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1wh0 s LEU 107 Cb -0.16 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.42 1wh0 s LEU 107 CO 0.09 0.12 0.38 -0.60 0.23 0.00 0.00 176.35 176.58 1wh0 s ARG 108 N 0.63 2.91 0.34 1.70 6.06 -1.26 -1.47 118.95 127.87 1wh0 s ARG 108 Ca -0.04 -1.41 -0.27 0.00 -2.50 0.00 0.00 55.73 51.52 1wh0 s ARG 108 Cb -0.15 -4.09 -0.09 0.00 0.06 0.00 0.00 34.95 30.68 1wh0 s ARG 108 CO 0.03 -1.05 1.07 0.15 -2.50 0.00 0.00 175.30 173.00 1wh0 s LYS 109 N 1.60 4.39 0.19 5.12 1.02 0.69 0.44 119.74 133.18 1wh0 s LYS 109 Ca 0.04 1.65 -0.14 0.00 0.02 0.00 0.00 55.97 57.53 1wh0 s LYS 109 Cb -0.25 -2.85 0.18 0.00 -0.52 0.00 0.00 37.83 34.40 1wh0 s LYS 109 CO 0.05 0.03 1.66 0.00 -0.92 0.00 0.00 175.35 176.17 1wh0 h ARG 110 N 3.12 0.03 -4.73 1.68 3.08 -1.84 -3.44 114.38 112.28 1wh0 h ARG 110 Ca -0.47 -0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.29 1wh0 h ARG 110 Cb 1.21 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.11 1wh0 h ARG 110 CO 0.64 0.02 -0.63 -0.65 -1.07 0.00 0.00 179.97 178.29 1wh0 s GLN 111 N -6.20 1.25 -1.22 0.04 -0.21 -1.26 -5.05 119.66 107.01 1wh0 s GLN 111 Ca -0.14 -1.66 -0.13 0.00 0.02 0.00 0.00 55.36 53.45 1wh0 s GLN 111 Cb 0.17 -0.03 -0.06 0.00 1.00 0.00 0.00 33.01 34.09 1wh0 s GLN 111 CO 0.72 -0.30 2.30 0.45 -2.12 0.00 0.00 175.29 176.34 1wh0 n SER 112 N -0.33 4.90 -4.00 5.90 2.88 -1.26 -4.79 113.62 116.91 1wh0 n SER 112 Ca -0.01 -2.63 -0.30 0.00 -1.33 0.00 0.00 58.87 54.60 1wh0 n SER 112 Cb 0.66 -1.39 -0.16 0.00 -0.75 0.00 0.00 64.21 62.57 1wh0 n SER 112 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wh0 s GLN 113 N 3.45 2.11 -0.11 -1.46 0.74 -1.26 -5.04 119.66 118.09 1wh0 s GLN 113 Ca 0.53 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 1wh0 s GLN 113 Cb 0.14 -2.32 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 1wh0 s GLN 113 CO -0.02 -0.37 1.21 1.03 -0.55 0.00 0.00 175.29 176.59 1wh0 s ARG 114 N 1.42 4.31 0.22 1.67 0.52 -1.26 -4.92 118.95 120.92 1wh0 s ARG 114 Ca 0.01 1.64 0.09 0.00 -0.52 0.00 0.00 55.73 56.94 1wh0 s ARG 114 Cb -0.15 -3.63 0.17 0.00 0.52 0.00 0.00 34.95 31.85 1wh0 s ARG 114 CO -0.09 -0.54 1.50 -1.49 0.02 0.00 0.00 175.30 174.70 1wh0 h TRP 115 N 7.71 0.04 0.00 -0.53 6.55 -1.99 -3.47 115.95 124.25 1wh0 h TRP 115 Ca -0.30 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.52 1wh0 h TRP 115 Cb 1.13 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.43 1wh0 h TRP 115 CO 0.76 0.76 0.00 0.41 -1.05 0.00 0.00 178.44 179.31 1wh0 n GLY 116 N 0.59 0.54 0.00 1.49 0.00 -1.26 -4.95 105.19 101.60 1wh0 n GLY 116 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.82 -0.70 0.04 -0.02 0.00 -1.26 -5.06 105.19 95.37 1wh0 n GLY 117 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.11 -4.75 0.99 7.94 -1.26 -4.26 117.00 115.55 1wh0 n LEU 118 Ca 0.00 0.87 -0.40 0.00 -1.11 0.00 0.00 56.01 55.37 1wh0 n LEU 118 Cb 0.00 -0.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.53 1wh0 n LEU 118 CO 0.00 -0.49 0.67 -1.61 -1.11 0.00 0.00 177.39 174.84 1wh0 s GLU 119 N -3.32 4.81 0.39 1.96 2.02 -1.26 -4.10 118.70 119.20 1wh0 s GLU 119 Ca -0.01 1.52 -0.27 0.00 0.02 0.00 0.00 54.97 56.23 1wh0 s GLU 119 Cb 0.01 -3.28 -0.10 0.00 0.10 0.00 0.00 34.13 30.86 1wh0 s GLU 119 CO 0.07 0.44 1.38 0.00 0.02 0.00 0.00 175.26 177.17 1wh0 s ALA 120 N -0.99 3.41 1.11 5.21 0.00 -0.36 -4.93 121.76 125.21 1wh0 s ALA 120 Ca 0.42 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1wh0 s ALA 120 Cb -0.26 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.45 1wh0 s ALA 120 CO 0.33 -0.92 0.49 -0.35 0.00 0.00 0.00 175.76 175.31 1wh0 n PRO 121 N 0.34 -1.99 -3.17 0.00 -0.04 -1.26 -4.56 135.00 124.31 1wh0 n PRO 121 Ca 0.02 -0.79 -0.14 0.00 -0.04 0.00 0.00 63.50 62.55 1wh0 n PRO 121 Cb 0.41 -0.74 0.07 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.85 -1.95 -3.49 0.55 0.00 -1.26 -5.03 120.51 105.48 1wh0 n ALA 122 Ca -0.09 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1wh0 n ALA 122 Cb 0.27 -3.31 -0.08 0.00 0.00 0.00 0.00 19.45 16.33 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 -3.33 -1.45 0.13 0.00 0.00 -1.26 -5.16 121.76 110.69 1wh0 s ALA 123 Ca 0.15 1.62 -0.23 0.00 0.00 0.00 0.00 51.96 53.50 1wh0 s ALA 123 Cb -0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 1wh0 s ALA 123 CO 0.64 -0.28 0.70 1.03 0.00 0.00 0.00 175.76 177.85 1wh0 s ARG 124 N 0.23 4.43 -0.01 0.00 0.52 -1.26 -5.07 118.95 117.78 1wh0 s ARG 124 Ca -0.01 0.99 0.01 0.00 -0.52 0.00 0.00 55.73 56.21 1wh0 s ARG 124 Cb -0.04 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1wh0 s ARG 124 CO 0.01 0.59 -0.03 0.08 0.02 0.00 0.00 175.30 175.98 1wh0 s VAL 125 N -1.11 0.27 0.00 3.52 1.01 -1.26 -5.09 120.40 117.74 1wh0 s VAL 125 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1wh0 s VAL 125 Cb -0.22 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1wh0 s VAL 125 CO 0.23 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1wh0 n GLY 126 N 3.43 2.56 0.00 4.51 0.00 -1.26 -5.10 105.19 109.33 1wh0 n GLY 126 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.63 -0.02 0.00 -1.26 -5.01 105.19 102.54 1wh0 n GLY 127 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.09 -1.70 4.61 0.00 -1.26 -4.65 121.76 116.67 1wh0 s ALA 128 Ca 0.00 1.76 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 1wh0 s ALA 128 Cb 0.00 -1.48 0.13 0.00 0.00 0.00 0.00 23.12 21.77 1wh0 s ALA 128 CO 0.00 -0.19 0.44 0.43 0.00 0.00 0.00 175.76 176.44 1wh0 n SER 129 N 1.52 -1.14 -4.07 0.00 7.64 -1.26 -4.82 113.62 111.49 1wh0 n SER 129 Ca -0.10 -1.18 -0.36 0.00 1.01 0.00 0.00 58.87 58.25 1wh0 n SER 129 Cb 0.57 -2.00 0.05 0.00 -1.01 0.00 0.00 64.21 61.82 1wh0 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh0 n GLY 130 N -1.68 -4.15 3.59 0.23 0.00 -1.26 -4.76 105.19 97.16 1wh0 n GLY 130 Ca -0.07 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.27 3.30 -0.46 1.61 0.04 -1.26 -4.97 135.00 131.00 1wh0 s PRO 131 Ca 0.42 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.55 1wh0 s PRO 131 Cb -0.17 -4.18 0.08 0.00 0.04 0.00 0.00 34.50 30.27 1wh0 s PRO 131 CO 0.79 -1.90 0.35 -1.12 0.04 0.00 0.00 177.00 175.16 1wh0 s SER 132 N 5.87 5.94 -0.25 6.66 0.01 -1.26 -4.90 113.70 125.77 1wh0 s SER 132 Ca 0.74 -1.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.48 1wh0 s SER 132 Cb -0.19 -2.11 -0.16 0.00 0.21 0.00 0.00 66.02 63.78 1wh0 s SER 132 CO 0.32 -0.62 -0.21 -1.20 0.41 0.00 0.00 173.24 171.94 1wh0 n SER 133 N 5.09 1.97 -0.07 2.44 7.64 -1.26 -5.30 113.62 124.13 1wh0 n SER 133 Ca -0.11 0.15 0.16 0.00 1.01 0.00 0.00 58.87 60.07 1wh0 n SER 133 Cb 0.43 -0.67 0.89 0.00 -1.01 0.00 0.00 64.21 63.85 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64