#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 0.85 -0.00 1.61 0.15 -1.26 -5.09 113.70 109.95 1wh0 s SER 2 Ca 0.00 -1.00 -0.05 0.00 0.70 0.00 0.00 55.95 55.60 1wh0 s SER 2 Cb 0.00 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1wh0 s SER 2 CO 0.00 -0.52 -0.09 -1.20 1.20 0.00 0.00 173.24 172.62 1wh0 n SER 3 N 0.03 0.99 0.00 5.45 7.64 -1.26 -5.06 113.62 121.42 1wh0 n SER 3 Ca -0.13 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wh0 n SER 3 Cb 0.61 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1wh0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh0 n GLY 4 N 2.73 1.51 3.00 0.23 0.00 -1.26 -4.22 105.19 107.18 1wh0 n GLY 4 Ca -0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.55 3.71 0.32 1.61 0.15 -1.26 -5.11 113.70 109.57 1wh0 s SER 5 Ca 0.00 -1.05 0.06 0.00 0.70 0.00 0.00 55.95 55.66 1wh0 s SER 5 Cb 0.00 -1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.99 1wh0 s SER 5 CO 0.00 -0.17 0.26 -0.44 1.20 0.00 0.00 173.24 174.09 1wh0 s SER 6 N 1.33 1.60 0.00 5.45 0.01 -1.26 -5.15 113.70 115.68 1wh0 s SER 6 Ca -0.04 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1wh0 s SER 6 Cb -0.17 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wh0 s SER 6 CO -0.07 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.15 1wh0 n GLY 7 N -0.61 0.31 3.83 3.44 0.00 -1.26 -5.16 105.19 105.74 1wh0 n GLY 7 Ca 0.06 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.35 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 5.26 -1.05 1.61 0.11 -1.26 -5.01 120.40 120.06 1wh0 s VAL 8 Ca 0.00 0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.93 1wh0 s VAL 8 Cb 0.00 -3.29 -0.10 0.00 -1.53 0.00 0.00 36.38 31.46 1wh0 s VAL 8 CO 0.00 0.60 2.01 1.51 -3.33 0.00 0.00 175.10 175.89 1wh0 s ASP 9 N -0.89 4.72 0.27 3.54 -4.77 -1.26 -4.91 116.67 113.37 1wh0 s ASP 9 Ca 0.14 -1.13 -0.27 0.00 -3.30 0.00 0.00 52.55 47.99 1wh0 s ASP 9 Cb -0.12 -2.58 -0.15 0.00 -1.09 0.00 0.00 42.92 38.98 1wh0 s ASP 9 CO 0.03 -3.31 0.71 -0.62 0.70 0.00 0.00 175.17 172.68 1wh0 n GLU 10 N 8.48 0.64 0.00 2.11 -0.58 -1.26 -4.78 120.64 125.25 1wh0 n GLU 10 Ca 0.43 0.22 0.03 0.00 -0.42 0.00 0.00 57.16 57.43 1wh0 n GLU 10 Cb 0.46 -1.42 0.18 0.00 -0.57 0.00 0.00 31.44 30.10 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wh0 n PRO 11 N 0.84 0.49 -0.29 3.49 -0.04 -1.26 -4.17 135.00 134.06 1wh0 n PRO 11 Ca 0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1wh0 n PRO 11 Cb 0.30 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.70 -0.25 -0.33 0.54 0.28 -1.26 0.23 120.64 119.15 1wh0 n GLU 12 Ca 0.05 1.09 0.09 0.00 -0.16 0.00 0.00 57.16 58.23 1wh0 n GLU 12 Cb 0.02 -1.61 0.26 0.00 1.43 0.00 0.00 31.44 31.54 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 0.70 -4.22 -1.84 0.02 -1.97 -3.41 113.55 102.83 1wh0 h SER 13 Ca 0.17 0.09 -0.51 0.00 -0.84 0.00 0.00 61.79 60.70 1wh0 h SER 13 Cb 0.35 -0.04 0.11 0.00 0.14 0.00 0.00 62.40 62.97 1wh0 h SER 13 CO -0.69 0.29 0.36 -0.04 -1.14 0.00 0.00 176.83 175.61 1wh0 s MET 14 N -5.93 2.63 -0.03 3.45 -1.94 0.62 -4.89 119.30 113.22 1wh0 s MET 14 Ca -0.12 1.36 -0.02 0.00 -1.71 0.00 0.00 55.69 55.20 1wh0 s MET 14 Cb 0.23 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 35.10 1wh0 s MET 14 CO 0.79 -1.38 0.12 0.08 -0.01 0.00 0.00 175.02 174.63 1wh0 s VAL 15 N -2.44 5.07 -0.15 -6.03 1.01 0.09 -4.98 120.40 112.98 1wh0 s VAL 15 Ca 0.66 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1wh0 s VAL 15 Cb -0.20 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1wh0 s VAL 15 CO 0.45 0.40 0.09 0.20 0.00 0.00 0.00 175.10 176.24 1wh0 s ASN 16 N -1.64 5.92 -0.34 3.32 -0.87 -1.26 -0.08 114.94 119.99 1wh0 s ASN 16 Ca 0.23 0.25 -0.21 0.00 -1.57 0.00 0.00 52.86 51.56 1wh0 s ASN 16 Cb -0.12 -1.94 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1wh0 s ASN 16 CO 0.13 0.29 0.68 -0.76 -2.57 0.00 0.00 177.10 174.88 1wh0 s LEU 17 N -0.34 4.19 0.18 0.60 1.43 0.68 -4.85 118.68 120.57 1wh0 s LEU 17 Ca 0.10 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1wh0 s LEU 17 Cb -0.12 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.28 1wh0 s LEU 17 CO 0.01 -0.61 1.42 0.00 0.23 0.00 0.00 176.35 177.41 1wh0 h ALA 18 N 8.38 0.61 -2.46 4.21 0.00 -1.98 -3.41 119.26 124.61 1wh0 h ALA 18 Ca -0.26 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 1wh0 h ALA 18 Cb 1.11 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.55 1wh0 h ALA 18 CO 0.85 0.92 -0.28 0.12 0.00 0.00 0.00 179.25 180.86 1wh0 s PHE 19 N -3.26 -0.80 -0.19 0.00 5.36 -1.26 -5.09 117.98 112.74 1wh0 s PHE 19 Ca -0.02 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1wh0 s PHE 19 Cb 0.11 0.37 0.03 0.00 -0.34 0.00 0.00 43.02 43.19 1wh0 s PHE 19 CO 0.81 -0.45 -0.13 0.08 -1.46 0.00 0.00 175.22 174.06 1wh0 s VAL 20 N 2.11 1.75 -0.33 3.12 1.01 -1.26 -5.07 120.40 121.73 1wh0 s VAL 20 Ca -0.06 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 60.65 1wh0 s VAL 20 Cb -0.10 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 1wh0 s VAL 20 CO -0.14 0.30 2.23 1.17 0.00 0.00 0.00 175.10 178.66 1wh0 n LYS 21 N 4.67 1.33 -3.96 2.72 0.00 -1.26 -4.89 118.16 116.76 1wh0 n LYS 21 Ca -0.16 0.34 -0.09 0.00 0.00 0.00 0.00 58.31 58.39 1wh0 n LYS 21 Cb 0.48 -2.75 -0.04 0.00 0.00 0.00 0.00 35.03 32.72 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 8.03 -0.02 -0.14 3.14 6.03 -1.26 -0.14 114.94 130.58 1wh0 s ASN 22 Ca 1.07 -0.94 -0.06 0.00 -1.03 0.00 0.00 52.86 51.90 1wh0 s ASN 22 Cb -0.66 0.64 0.06 0.00 -3.03 0.00 0.00 41.25 38.27 1wh0 s ASN 22 CO 0.43 -1.24 0.31 -0.62 -2.03 0.00 0.00 177.10 173.95 1wh0 s ASP 23 N -3.02 -0.08 -0.07 3.54 -1.08 0.14 -4.93 116.67 111.16 1wh0 s ASP 23 Ca 0.20 0.70 0.06 0.00 -0.52 0.00 0.00 52.55 52.98 1wh0 s ASP 23 Cb -0.02 0.74 -0.01 0.00 -1.46 0.00 0.00 42.92 42.17 1wh0 s ASP 23 CO 0.10 -0.21 -0.25 -0.55 0.52 0.00 0.00 175.17 174.78 1wh0 s SER 24 N 1.94 3.07 0.19 -0.34 0.15 -1.26 0.50 113.70 117.95 1wh0 s SER 24 Ca -0.04 -0.52 0.08 0.00 0.70 0.00 0.00 55.95 56.17 1wh0 s SER 24 Cb -0.11 -1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 1wh0 s SER 24 CO -0.10 0.22 -0.05 -0.72 1.20 0.00 0.00 173.24 173.79 1wh0 s TYR 25 N -0.02 2.71 -0.75 3.44 1.13 -0.78 -4.97 117.35 118.10 1wh0 s TYR 25 Ca -0.08 -0.19 -0.27 0.00 -1.41 0.00 0.00 57.07 55.12 1wh0 s TYR 25 Cb -0.15 -1.30 0.02 0.00 -1.10 0.00 0.00 41.96 39.43 1wh0 s TYR 25 CO 0.05 0.53 1.37 -1.21 -2.51 0.00 0.00 175.55 173.79 1wh0 s GLU 26 N -2.98 3.15 0.19 -3.49 2.02 -1.26 -2.83 118.70 113.50 1wh0 s GLU 26 Ca 0.27 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.04 1wh0 s GLU 26 Cb -0.09 -4.33 -0.04 0.00 0.10 0.00 0.00 34.13 29.77 1wh0 s GLU 26 CO 0.17 -2.24 0.34 0.21 0.02 0.00 0.00 175.26 173.76 1wh0 s LYS 27 N 5.84 3.47 0.27 1.61 2.20 -0.47 -5.00 119.74 127.66 1wh0 s LYS 27 Ca 0.40 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 1wh0 s LYS 27 Cb -0.08 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1wh0 s LYS 27 CO 0.13 0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 1wh0 n GLY 28 N -0.74 0.07 0.10 5.54 0.00 -1.26 -1.55 105.19 107.35 1wh0 n GLY 28 Ca -0.06 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.12 0.00 1.61 0.13 -1.99 -3.36 132.00 128.27 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 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wh0 h PRO 29 CO 0.00 0.32 -0.10 -0.40 -0.23 0.00 0.00 178.00 177.58 1wh0 n ASP 30 N -4.93 1.85 -4.86 1.44 5.68 -1.26 -4.78 116.55 109.70 1wh0 n ASP 30 Ca -0.09 -2.84 -0.35 0.00 -0.50 0.00 0.00 54.79 51.01 1wh0 n ASP 30 Cb 0.25 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 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 -2.46 6.72 -0.24 -1.12 0.01 -0.59 -0.40 113.70 115.62 1wh0 s SER 31 Ca 0.25 0.92 -0.03 0.00 1.31 0.00 0.00 55.95 58.40 1wh0 s SER 31 Cb 0.22 -2.23 0.10 0.00 0.21 0.00 0.00 66.02 64.32 1wh0 s SER 31 CO 0.02 0.13 0.22 -0.69 0.41 0.00 0.00 173.24 173.33 1wh0 s VAL 32 N -1.45 -0.29 0.14 3.43 1.01 -0.21 -1.36 120.40 121.67 1wh0 s VAL 32 Ca 0.36 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1wh0 s VAL 32 Cb -0.14 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 1wh0 s VAL 32 CO 0.19 -0.36 0.60 -0.69 0.00 0.00 0.00 175.10 174.83 1wh0 s VAL 33 N 2.29 4.75 -0.05 2.92 1.01 -1.13 -0.28 120.40 129.90 1wh0 s VAL 33 Ca 0.08 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1wh0 s VAL 33 Cb -0.15 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1wh0 s VAL 33 CO -0.21 0.33 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 1wh0 s VAL 34 N -1.37 1.81 -0.35 2.92 1.01 -0.48 -1.87 120.40 122.07 1wh0 s VAL 34 Ca 0.36 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1wh0 s VAL 34 Cb -0.17 -1.54 0.09 0.00 0.00 0.00 0.00 36.38 34.77 1wh0 s VAL 34 CO 0.20 0.51 0.07 -1.00 0.00 0.00 0.00 175.10 174.88 1wh0 s HIS 35 N -0.10 3.62 -0.19 5.22 3.76 0.18 -2.41 115.29 125.37 1wh0 s HIS 35 Ca -0.03 -2.66 -0.19 0.00 -0.15 0.00 0.00 55.06 52.03 1wh0 s HIS 35 Cb -0.13 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 1wh0 s HIS 35 CO 0.03 -0.94 0.53 0.08 -0.85 0.00 0.00 174.74 173.59 1wh0 s VAL 36 N 1.02 5.10 -0.61 -0.90 1.01 -0.73 0.25 120.40 125.54 1wh0 s VAL 36 Ca 0.07 1.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.76 1wh0 s VAL 36 Cb -0.20 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1wh0 s VAL 36 CO -0.06 0.19 1.20 -0.31 0.00 0.00 0.00 175.10 176.12 1wh0 s TYR 37 N 1.54 2.54 -0.25 5.22 1.51 0.80 -1.61 117.35 127.10 1wh0 s TYR 37 Ca 0.25 0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 56.34 1wh0 s TYR 37 Cb -0.15 -4.53 0.16 0.00 -0.11 0.00 0.00 41.96 37.33 1wh0 s TYR 37 CO 0.10 -1.68 1.23 0.54 -1.11 0.00 0.00 175.55 174.63 1wh0 s VAL 38 N 5.09 0.00 0.22 0.71 0.11 -1.00 -4.76 120.40 120.77 1wh0 s VAL 38 Ca 0.41 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 1wh0 s VAL 38 Cb -0.08 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1wh0 s VAL 38 CO 0.23 0.00 0.07 0.29 -3.33 0.00 0.00 175.10 172.36 1wh0 n LYS 39 N 1.00 0.79 -4.07 1.54 5.02 -1.26 -2.88 118.16 118.30 1wh0 n LYS 39 Ca -0.07 -1.87 -0.29 0.00 -2.02 0.00 0.00 58.31 54.07 1wh0 n LYS 39 Cb 0.58 0.97 -0.04 0.00 -0.02 0.00 0.00 35.03 36.52 1wh0 n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wh0 n GLU 40 N -0.51 -2.21 -3.96 1.97 -0.58 -1.26 -3.93 120.64 110.16 1wh0 n GLU 40 Ca -0.04 0.28 -0.34 0.00 -0.42 0.00 0.00 57.16 56.65 1wh0 n GLU 40 Cb 0.33 -4.07 -0.06 0.00 -0.57 0.00 0.00 31.44 27.07 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 -4.06 5.23 -0.54 -3.67 1.01 -1.26 -0.28 121.20 117.63 1wh0 s ILE 41 Ca 0.05 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 1wh0 s ILE 41 Cb -0.02 -3.40 0.07 0.00 0.01 0.00 0.00 42.46 39.11 1wh0 s ILE 41 CO 0.93 0.38 0.69 0.00 0.00 0.00 0.00 174.94 176.93 1wh0 n ARG 43 N 6.38 0.34 0.00 0.00 1.74 -1.26 -1.09 116.66 122.77 1wh0 n ARG 43 Ca -0.07 0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 1wh0 n ARG 43 Cb 0.45 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.20 -0.19 0.55 3.32 -1.99 -3.37 116.42 114.93 1wh0 h ASP 44 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1wh0 h ASP 44 Cb 0.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1wh0 h ASP 44 CO 0.00 1.36 0.00 0.35 -1.72 0.00 0.00 179.24 179.23 1wh0 n THR 45 N -3.26 1.47 -3.97 0.35 -2.24 -0.99 -4.95 114.28 100.69 1wh0 n THR 45 Ca -0.22 -1.42 -0.34 0.00 -2.27 0.00 0.00 64.05 59.80 1wh0 n THR 45 Cb 1.05 0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.52 4.06 0.44 3.42 0.01 -0.25 -4.43 113.70 115.42 1wh0 s SER 46 Ca 0.24 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1wh0 s SER 46 Cb 0.18 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 1wh0 s SER 46 CO 0.08 -0.06 0.12 0.00 0.41 0.00 0.00 173.24 173.80 1wh0 s ARG 47 N 1.37 2.03 -0.10 12.44 1.04 0.48 -4.80 118.95 131.40 1wh0 s ARG 47 Ca 0.03 -2.26 -0.04 0.00 -1.04 0.00 0.00 55.73 52.42 1wh0 s ARG 47 Cb -0.15 -0.70 0.05 0.00 -2.04 0.00 0.00 34.95 32.11 1wh0 s ARG 47 CO -0.06 -0.51 0.21 0.08 -0.04 0.00 0.00 175.30 174.97 1wh0 s VAL 48 N -3.13 -0.32 -0.45 4.99 1.01 -1.26 -0.37 120.40 120.86 1wh0 s VAL 48 Ca 0.19 0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1wh0 s VAL 48 Cb 0.01 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1wh0 s VAL 48 CO 0.13 0.13 0.44 -0.76 0.00 0.00 0.00 175.10 175.04 1wh0 s LEU 49 N 2.32 5.12 -0.40 3.92 1.43 0.99 -4.97 118.68 127.10 1wh0 s LEU 49 Ca 0.02 -0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 1wh0 s LEU 49 Cb -0.12 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1wh0 s LEU 49 CO -0.07 -0.63 0.76 -0.36 0.23 0.00 0.00 176.35 176.28 1wh0 s PHE 50 N 2.02 3.07 0.59 0.29 0.08 -1.26 -0.19 117.98 122.58 1wh0 s PHE 50 Ca 0.09 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.52 1wh0 s PHE 50 Cb -0.20 -3.47 0.11 0.00 -0.57 0.00 0.00 43.02 38.89 1wh0 s PHE 50 CO 0.11 -0.83 0.82 0.54 -0.10 0.00 0.00 175.22 175.76 1wh0 n ARG 51 N 6.49 0.17 0.09 0.44 5.12 0.85 -4.65 116.66 125.17 1wh0 n ARG 51 Ca 0.02 -2.44 -0.22 0.00 -1.93 0.00 0.00 57.85 53.27 1wh0 n ARG 51 Cb 0.48 -0.47 -0.15 0.00 -1.16 0.00 0.00 32.46 31.16 1wh0 n ARG 51 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1wh0 h GLU 52 N 0.00 0.40 -0.09 5.56 4.11 -1.97 -3.34 114.58 119.25 1wh0 h GLU 52 Ca -0.27 -0.68 -0.01 0.00 0.07 0.00 0.00 59.36 58.48 1wh0 h GLU 52 Cb 1.06 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1wh0 h GLU 52 CO 0.31 1.32 -0.03 0.94 0.07 0.00 0.00 179.01 181.63 1wh0 n GLN 53 N -3.92 1.80 -3.74 1.06 7.27 -1.26 -0.07 117.38 118.53 1wh0 n GLN 53 Ca -0.17 -2.72 -0.01 0.00 0.07 0.00 0.00 57.00 54.17 1wh0 n GLN 53 Cb 0.96 -1.62 0.02 0.00 2.41 0.00 0.00 30.24 32.00 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 -1.14 -1.43 -3.40 1.69 5.75 -1.26 -2.15 116.55 114.61 1wh0 n ASP 54 Ca 0.18 -1.63 0.02 0.00 -0.01 0.00 0.00 54.79 53.35 1wh0 n ASP 54 Cb 0.73 2.29 -0.03 0.00 -1.03 0.00 0.00 41.12 43.09 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 -2.30 -1.25 0.02 2.11 -0.12 -1.09 -0.10 117.98 115.25 1wh0 s PHE 55 Ca 0.23 1.79 -0.10 0.00 -0.05 0.00 0.00 56.93 58.81 1wh0 s PHE 55 Cb -0.02 0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 1wh0 s PHE 55 CO 0.03 -0.65 0.33 0.99 -0.05 0.00 0.00 175.22 175.87 1wh0 s THR 56 N 2.82 5.19 -0.27 -4.49 2.01 0.73 -2.99 115.64 118.64 1wh0 s THR 56 Ca 0.04 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1wh0 s THR 56 Cb -0.12 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.86 1wh0 s THR 56 CO -0.19 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.92 1wh0 s LEU 57 N -1.58 3.05 -0.31 4.42 2.96 -0.46 -0.01 118.68 126.76 1wh0 s LEU 57 Ca 0.27 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.61 1wh0 s LEU 57 Cb -0.14 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1wh0 s LEU 57 CO 0.15 -0.28 0.19 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.30 4.99 -0.12 6.68 1.09 0.50 -1.33 121.20 134.30 1wh0 s ILE 58 Ca -0.01 -0.23 -0.15 0.00 -1.10 0.00 0.00 60.65 59.17 1wh0 s ILE 58 Cb -0.19 -3.51 0.04 0.00 -1.06 0.00 0.00 42.46 37.74 1wh0 s ILE 58 CO -0.09 0.08 0.40 0.72 -0.10 0.00 0.00 174.94 175.95 1wh0 s PHE 59 N 1.68 -0.41 -0.38 3.97 -0.12 -0.83 0.18 117.98 122.08 1wh0 s PHE 59 Ca 0.06 0.95 -0.09 0.00 -0.05 0.00 0.00 56.93 57.79 1wh0 s PHE 59 Cb -0.17 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1wh0 s PHE 59 CO 0.09 -0.26 0.20 -0.65 -0.05 0.00 0.00 175.22 174.55 1wh0 s GLN 60 N -0.12 2.66 -0.06 1.99 -0.21 -1.26 -3.11 119.66 119.56 1wh0 s GLN 60 Ca -0.03 -1.28 -0.09 0.00 0.02 0.00 0.00 55.36 53.98 1wh0 s GLN 60 Cb -0.03 -3.68 -0.05 0.00 1.00 0.00 0.00 33.01 30.25 1wh0 s GLN 60 CO 0.02 -0.81 0.24 -0.08 -2.12 0.00 0.00 175.29 172.54 1wh0 s THR 61 N 1.45 5.34 -0.13 -0.19 -1.32 -1.26 -2.22 115.64 117.30 1wh0 s THR 61 Ca 0.01 0.35 0.12 0.00 -1.21 0.00 0.00 61.69 60.97 1wh0 s THR 61 Cb -0.21 -3.52 0.21 0.00 -1.51 0.00 0.00 72.50 67.47 1wh0 s THR 61 CO 0.04 0.55 1.13 -2.11 -2.21 0.00 0.00 174.62 172.01 1wh0 n ARG 62 N 1.73 2.11 -2.54 7.08 1.85 0.62 -4.26 116.66 123.25 1wh0 n ARG 62 Ca -0.16 -2.19 -0.43 0.00 -1.00 0.00 0.00 57.85 54.06 1wh0 n ARG 62 Cb 0.54 -1.34 -0.02 0.00 -1.05 0.00 0.00 32.46 30.59 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 -2.03 6.68 0.64 2.89 2.15 -1.25 -4.88 116.67 120.87 1wh0 s ASP 63 Ca 0.21 0.83 0.23 0.00 0.43 0.00 0.00 52.55 54.25 1wh0 s ASP 63 Cb 0.18 -2.54 1.18 0.00 -0.30 0.00 0.00 42.92 41.44 1wh0 s ASP 63 CO 0.03 -1.14 1.66 1.23 -0.17 0.00 0.00 175.17 176.78 1wh0 h GLY 64 N 10.98 0.00 1.59 2.66 0.00 -1.94 0.66 103.07 117.02 1wh0 h GLY 64 Ca -0.24 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 1wh0 h GLY 64 CO 1.08 0.00 -0.87 3.43 0.00 0.00 0.00 176.54 180.18 1wh0 h ASN 65 N 0.00 0.48 0.28 0.19 2.35 -1.98 -2.11 115.58 114.78 1wh0 h ASN 65 Ca 0.11 -0.37 -0.34 0.00 -0.55 0.00 0.00 56.30 55.16 1wh0 h ASN 65 Cb 1.33 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1wh0 h ASN 65 CO -0.00 1.15 -1.82 0.15 -1.65 0.00 0.00 177.43 175.26 1wh0 h PHE 66 N 0.23 0.39 0.11 1.19 3.04 -0.20 -3.37 116.94 118.32 1wh0 h PHE 66 Ca -0.06 -0.28 -0.01 0.00 3.98 0.00 0.00 57.97 61.60 1wh0 h PHE 66 Cb 1.49 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.98 1wh0 h PHE 66 CO 0.05 1.52 -0.05 -0.07 -2.02 0.00 0.00 178.31 177.74 1wh0 h LEU 67 N 0.06 -0.12 -1.40 0.59 3.38 -0.83 -2.95 115.31 114.04 1wh0 h LEU 67 Ca -0.35 -0.25 0.39 0.00 0.09 0.00 0.00 57.88 57.75 1wh0 h LEU 67 Cb 2.03 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 42.70 1wh0 h LEU 67 CO 0.11 0.19 0.80 0.08 0.09 0.00 0.00 178.44 179.71 1wh0 h ARG 68 N -0.45 0.16 -0.67 1.13 0.11 -1.57 0.73 114.38 113.83 1wh0 h ARG 68 Ca -0.01 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 1wh0 h ARG 68 Cb 0.37 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 1wh0 h ARG 68 CO 0.02 0.11 0.35 -0.07 0.10 0.00 0.00 179.97 180.48 1wh0 h LEU 69 N 0.17 0.86 -7.81 0.08 3.38 -1.67 -3.35 115.31 106.97 1wh0 h LEU 69 Ca 0.75 -0.11 -0.75 0.00 0.09 0.00 0.00 57.88 57.86 1wh0 h LEU 69 Cb 2.27 -0.22 -0.29 0.00 0.09 0.00 0.00 40.66 42.51 1wh0 h LEU 69 CO -0.38 0.73 -0.18 -1.00 0.09 0.00 0.00 178.44 177.70 1wh0 s HIS 70 N -5.77 3.54 0.60 1.13 3.76 0.25 -4.65 115.29 114.15 1wh0 s HIS 70 Ca -0.13 -2.10 -0.17 0.00 -0.15 0.00 0.00 55.06 52.51 1wh0 s HIS 70 Cb 0.14 -3.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.23 1wh0 s HIS 70 CO 0.79 -0.95 1.12 -1.25 -0.85 0.00 0.00 174.74 173.60 1wh0 s PRO 71 N 0.52 3.09 0.00 8.40 0.04 -1.25 -3.45 135.00 142.34 1wh0 s PRO 71 Ca 0.13 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1wh0 s PRO 71 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1wh0 s PRO 71 CO -0.04 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1wh0 n GLY 72 N -0.19 2.59 3.90 0.56 0.00 -1.26 -5.02 105.19 105.78 1wh0 n GLY 72 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.75 3.65 0.17 0.00 0.00 -1.26 -5.01 105.19 100.99 1wh0 n GLY 74 Ca -0.02 -1.19 -0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 0.07 -0.42 1.61 0.13 -1.91 -2.65 132.00 128.83 1wh0 h PRO 75 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 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 0.54 0.00 -2.39 -0.23 0.00 0.00 178.00 175.92 1wh0 n HIS 76 N -3.96 0.56 -3.23 1.56 1.44 -1.26 -4.50 115.22 105.82 1wh0 n HIS 76 Ca -0.02 -0.28 -0.40 0.00 -2.01 0.00 0.00 57.72 55.02 1wh0 n HIS 76 Cb 0.51 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.54 1wh0 n HIS 76 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wh0 s THR 77 N -1.45 5.07 0.12 0.61 2.01 -1.00 -5.04 115.64 115.95 1wh0 s THR 77 Ca 0.28 0.90 -0.31 0.00 0.31 0.00 0.00 61.69 62.87 1wh0 s THR 77 Cb 0.14 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1wh0 s THR 77 CO 0.19 0.10 1.27 -0.89 -0.69 0.00 0.00 174.62 174.59 1wh0 s THR 78 N 2.23 3.63 -0.22 -0.82 2.01 -1.26 -4.62 115.64 116.59 1wh0 s THR 78 Ca 0.22 1.23 -0.01 0.00 0.31 0.00 0.00 61.69 63.44 1wh0 s THR 78 Cb -0.16 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1wh0 s THR 78 CO 0.09 0.13 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.67 1wh0 s PHE 79 N 0.73 2.95 -0.25 4.92 0.08 -1.18 -0.73 117.98 124.50 1wh0 s PHE 79 Ca 0.59 -1.55 -0.05 0.00 0.12 0.00 0.00 56.93 56.05 1wh0 s PHE 79 Cb -0.33 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 1wh0 s PHE 79 CO 0.32 -0.74 -0.00 0.50 -0.10 0.00 0.00 175.22 175.20 1wh0 s ARG 80 N 1.32 3.23 -0.48 0.44 3.52 0.89 -1.95 118.95 125.91 1wh0 s ARG 80 Ca 0.02 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 1wh0 s ARG 80 Cb -0.15 -3.13 0.12 0.00 -1.56 0.00 0.00 34.95 30.23 1wh0 s ARG 80 CO -0.08 -0.30 0.36 -0.46 -0.81 0.00 0.00 175.30 174.02 1wh0 s TRP 81 N 1.47 3.38 -0.20 5.12 -0.00 -0.44 -0.23 118.94 128.04 1wh0 s TRP 81 Ca 0.04 -1.72 -0.15 0.00 -0.00 0.00 0.00 56.10 54.27 1wh0 s TRP 81 Cb -0.16 -3.49 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 1wh0 s TRP 81 CO -0.01 -0.98 0.37 -1.14 -0.00 0.00 0.00 176.95 175.19 1wh0 s GLN 82 N 1.42 4.17 -0.16 5.86 0.74 -1.26 -1.35 119.66 129.08 1wh0 s GLN 82 Ca 0.05 0.16 0.02 0.00 0.05 0.00 0.00 55.36 55.64 1wh0 s GLN 82 Cb -0.27 -3.53 0.01 0.00 1.10 0.00 0.00 33.01 30.33 1wh0 s GLN 82 CO 0.00 -0.01 -0.21 0.08 -0.55 0.00 0.00 175.29 174.60 1wh0 s VAL 83 N 1.23 2.08 -0.49 1.34 1.01 -1.16 -5.02 120.40 119.40 1wh0 s VAL 83 Ca 0.18 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 1wh0 s VAL 83 Cb -0.15 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1wh0 s VAL 83 CO 0.07 0.54 0.77 -0.75 0.00 0.00 0.00 175.10 175.74 1wh0 s LYS 84 N 1.01 3.30 -0.33 2.72 2.20 -1.26 -2.66 119.74 124.72 1wh0 s LYS 84 Ca -0.02 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1wh0 s LYS 84 Cb -0.15 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.18 1wh0 s LYS 84 CO -0.06 -1.22 1.07 -0.51 -0.36 0.00 0.00 175.35 174.27 1wh0 s LEU 85 N 3.25 3.92 0.43 5.43 1.43 -0.91 -1.96 118.68 130.26 1wh0 s LEU 85 Ca 0.25 1.01 0.22 0.00 -1.03 0.00 0.00 54.13 54.59 1wh0 s LEU 85 Cb -0.14 -3.54 1.19 0.00 0.03 0.00 0.00 46.19 43.74 1wh0 s LEU 85 CO 0.19 -0.90 1.78 0.03 0.23 0.00 0.00 176.35 177.68 1wh0 h ARG 86 N 8.15 0.30 -6.07 1.70 3.08 -1.82 -3.41 114.38 116.31 1wh0 h ARG 86 Ca -0.21 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.28 1wh0 h ARG 86 Cb 1.06 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.97 1wh0 h ARG 86 CO 1.04 0.20 -0.51 -0.80 -1.07 0.00 0.00 179.97 178.82 1wh0 s ASN 87 N -5.25 4.69 0.72 7.04 -0.87 -1.26 -5.12 114.94 114.89 1wh0 s ASN 87 Ca -0.08 -0.82 -0.11 0.00 -1.57 0.00 0.00 52.86 50.28 1wh0 s ASN 87 Cb 0.25 -0.68 0.02 0.00 -0.02 0.00 0.00 41.25 40.83 1wh0 s ASN 87 CO 0.80 -0.38 1.08 -0.76 -2.57 0.00 0.00 177.10 175.27 1wh0 s LEU 88 N -3.89 2.88 0.00 0.60 1.43 -1.26 -4.76 118.68 113.69 1wh0 s LEU 88 Ca 0.39 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 1wh0 s LEU 88 Cb -0.02 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1wh0 s LEU 88 CO 0.23 -1.49 0.35 2.30 0.23 0.00 0.00 176.35 177.97 1wh0 n ILE 89 N -3.13 0.00 -3.96 -0.59 -5.35 0.91 -3.93 119.36 103.31 1wh0 n ILE 89 Ca 0.07 -1.38 -0.30 0.00 -0.27 0.00 0.00 62.75 60.86 1wh0 n ILE 89 Cb 0.56 0.83 -0.14 0.00 -1.74 0.00 0.00 39.64 39.15 1wh0 n ILE 89 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1wh0 s GLU 90 N -2.64 1.88 0.16 6.28 0.41 0.62 -4.73 118.70 120.69 1wh0 s GLU 90 Ca 0.23 -2.48 0.20 0.00 -0.41 0.00 0.00 54.97 52.51 1wh0 s GLU 90 Cb -0.01 -3.30 0.84 0.00 -1.78 0.00 0.00 34.13 29.88 1wh0 s GLU 90 CO 0.16 -1.08 1.61 -0.35 -0.49 0.00 0.00 175.26 175.12 1wh0 n PRO 91 N 3.34 0.12 0.25 0.39 -0.04 -1.25 -2.42 135.00 135.38 1wh0 n PRO 91 Ca 0.05 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1wh0 n PRO 91 Cb 0.34 -1.73 0.52 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.10 114.58 115.19 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1wh0 h GLU 92 CO 0.00 0.10 -0.85 1.04 -1.00 0.00 0.00 179.01 178.30 1wh0 n GLN 93 N -3.21 2.42 -1.75 2.33 6.02 -1.02 -5.02 117.38 117.16 1wh0 n GLN 93 Ca 0.01 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 1wh0 n GLN 93 Cb 0.39 -1.07 0.03 0.00 1.02 0.00 0.00 30.24 30.61 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 -1.23 1.09 -0.09 0.00 -4.23 -0.44 -5.00 115.64 105.74 1wh0 s THR 95 Ca 0.65 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1wh0 s THR 95 Cb -0.44 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.46 1wh0 s THR 95 CO 0.55 0.13 -0.07 0.72 -0.54 0.00 0.00 174.62 175.40 1wh0 s PHE 96 N -0.63 1.29 -0.12 3.99 -0.12 -1.26 -0.74 117.98 120.38 1wh0 s PHE 96 Ca 0.03 -0.57 -0.10 0.00 -0.05 0.00 0.00 56.93 56.24 1wh0 s PHE 96 Cb -0.07 -1.09 0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1wh0 s PHE 96 CO 0.01 -0.41 0.33 0.00 -0.05 0.00 0.00 175.22 175.09 1wh0 s PHE 98 N 0.40 3.58 0.15 0.00 0.40 -1.26 -0.16 117.98 121.08 1wh0 s PHE 98 Ca -0.02 1.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.59 1wh0 s PHE 98 Cb -0.04 -2.68 -0.00 0.00 0.51 0.00 0.00 43.02 40.81 1wh0 s PHE 98 CO -0.02 -0.55 0.03 0.25 0.70 0.00 0.00 175.22 175.63 1wh0 n THR 99 N -2.37 0.00 0.00 0.64 -2.24 0.48 -4.77 114.28 106.02 1wh0 n THR 99 Ca 0.05 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1wh0 n THR 99 Cb 0.54 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.39 -0.00 -1.27 6.98 0.00 -1.26 -3.69 120.51 118.87 1wh0 n ALA 100 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1wh0 n ALA 100 Cb 0.21 0.36 0.12 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.94 1.89 -3.87 0.00 3.41 -1.26 -4.82 113.62 107.03 1wh0 n SER 101 Ca 0.00 -2.92 -0.10 0.00 -0.26 0.00 0.00 58.87 55.60 1wh0 n SER 101 Cb 0.00 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 1wh0 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh0 s ARG 102 N -2.36 1.20 -0.06 4.33 1.70 -1.14 -2.38 118.95 120.24 1wh0 s ARG 102 Ca 0.27 -1.04 -0.00 0.00 -0.47 0.00 0.00 55.73 54.48 1wh0 s ARG 102 Cb 0.24 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1wh0 s ARG 102 CO 0.02 -0.46 -0.03 0.42 -1.08 0.00 0.00 175.30 174.17 1wh0 s ILE 103 N -3.92 4.05 -0.20 4.99 1.01 -0.63 0.18 121.20 126.68 1wh0 s ILE 103 Ca 0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1wh0 s ILE 103 Cb 0.02 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1wh0 s ILE 103 CO -0.02 0.56 -0.10 -1.81 0.00 0.00 0.00 174.94 173.56 1wh0 s ASP 104 N -1.00 3.90 -0.22 3.58 1.01 0.77 -1.77 116.67 122.95 1wh0 s ASP 104 Ca 0.14 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.93 1wh0 s ASP 104 Cb -0.11 -1.65 0.05 0.00 1.01 0.00 0.00 42.92 42.23 1wh0 s ASP 104 CO 0.04 0.00 -0.05 -0.63 0.21 0.00 0.00 175.17 174.73 1wh0 s ILE 105 N 1.33 1.38 -0.38 0.77 1.01 -1.01 -1.08 121.20 123.22 1wh0 s ILE 105 Ca 0.04 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 1wh0 s ILE 105 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.70 1wh0 s ILE 105 CO -0.06 -0.04 0.61 0.00 0.00 0.00 0.00 174.94 175.45 1wh0 s LEU 107 N 2.67 3.86 -0.21 0.00 1.43 0.61 -1.33 118.68 125.71 1wh0 s LEU 107 Ca 0.22 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1wh0 s LEU 107 Cb -0.15 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1wh0 s LEU 107 CO 0.16 0.24 0.12 -0.60 0.23 0.00 0.00 176.35 176.50 1wh0 s ARG 108 N -0.04 4.05 0.63 1.70 6.06 -1.26 -1.04 118.95 129.05 1wh0 s ARG 108 Ca 0.06 -0.29 -0.08 0.00 -2.50 0.00 0.00 55.73 52.93 1wh0 s ARG 108 Cb -0.12 -3.40 0.01 0.00 0.06 0.00 0.00 34.95 31.49 1wh0 s ARG 108 CO 0.01 0.17 0.97 0.15 -2.50 0.00 0.00 175.30 174.10 1wh0 s LYS 109 N 0.70 2.93 0.00 5.12 1.02 0.47 -0.27 119.74 129.70 1wh0 s LYS 109 Ca 0.06 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1wh0 s LYS 109 Cb -0.13 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1wh0 s LYS 109 CO 0.01 -0.80 0.00 0.54 -0.92 0.00 0.00 175.35 174.18 1wh0 n ARG 110 N -2.73 0.00 -1.30 1.68 1.74 -1.25 -4.44 116.66 110.36 1wh0 n ARG 110 Ca 0.05 0.36 -0.33 0.00 -0.77 0.00 0.00 57.85 57.17 1wh0 n ARG 110 Cb 0.57 -0.85 0.10 0.00 -1.02 0.00 0.00 32.46 31.26 1wh0 n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wh0 n GLN 111 N -1.91 2.59 -3.72 5.56 10.64 -1.26 -4.89 117.38 124.39 1wh0 n GLN 111 Ca 0.00 -3.20 -0.25 0.00 -1.83 0.00 0.00 57.00 51.71 1wh0 n GLN 111 Cb 0.00 -2.25 -0.06 0.00 -0.86 0.00 0.00 30.24 27.06 1wh0 n GLN 111 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1wh0 n SER 112 N -0.93 -0.17 -4.37 2.61 2.88 -1.26 -4.87 113.62 107.51 1wh0 n SER 112 Ca 0.62 -0.89 -0.34 0.00 -1.33 0.00 0.00 58.87 56.92 1wh0 n SER 112 Cb 0.83 -1.12 -0.14 0.00 -0.75 0.00 0.00 64.21 63.04 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 -5.79 3.44 0.69 -1.46 -2.07 -1.26 -4.86 119.66 108.35 1wh0 s GLN 113 Ca 0.25 -0.62 -0.14 0.00 -1.82 0.00 0.00 55.36 53.04 1wh0 s GLN 113 Cb -0.15 -2.89 0.01 0.00 -1.09 0.00 0.00 33.01 28.90 1wh0 s GLN 113 CO 0.71 0.01 1.11 -0.98 -1.32 0.00 0.00 175.29 174.82 1wh0 s ARG 114 N 0.93 2.65 -0.06 9.60 1.04 -1.26 -4.96 118.95 126.88 1wh0 s ARG 114 Ca -0.01 1.34 0.07 0.00 -1.04 0.00 0.00 55.73 56.09 1wh0 s ARG 114 Cb -0.15 -1.94 -0.10 0.00 -2.04 0.00 0.00 34.95 30.73 1wh0 s ARG 114 CO 0.01 -1.36 0.05 0.91 -0.04 0.00 0.00 175.30 174.87 1wh0 n TRP 115 N -2.69 0.00 0.00 5.89 8.01 -1.26 -5.01 117.44 122.38 1wh0 n TRP 115 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1wh0 n TRP 115 Cb 0.52 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wh0 n GLY 116 N 2.44 2.67 2.77 6.99 0.00 -1.26 -4.93 105.19 113.87 1wh0 n GLY 116 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1wh0 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh0 s GLY 117 N -1.91 -0.06 0.21 -0.02 0.00 -1.26 -5.02 107.32 99.26 1wh0 s GLY 117 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 1wh0 s GLY 117 CO 0.00 2.72 1.22 -0.10 0.00 0.00 0.00 173.10 176.94 1wh0 n LEU 118 N 4.55 -0.33 -4.67 0.66 7.94 -1.26 -4.08 117.00 119.81 1wh0 n LEU 118 Ca 0.07 1.35 -0.35 0.00 -1.11 0.00 0.00 56.01 55.98 1wh0 n LEU 118 Cb 0.46 -0.39 -0.09 0.00 0.53 0.00 0.00 43.42 43.92 1wh0 n LEU 118 CO 0.06 -1.28 -0.27 -1.61 -1.11 0.00 0.00 177.39 173.18 1wh0 s GLU 119 N -5.94 3.52 0.47 1.96 2.02 -1.26 -4.28 118.70 115.19 1wh0 s GLU 119 Ca -0.12 -0.35 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 1wh0 s GLU 119 Cb 0.20 -3.03 -0.07 0.00 0.10 0.00 0.00 34.13 31.33 1wh0 s GLU 119 CO 0.60 0.50 1.27 0.00 0.02 0.00 0.00 175.26 177.65 1wh0 s ALA 120 N -0.28 3.00 1.07 5.21 0.00 -0.83 -4.94 121.76 124.99 1wh0 s ALA 120 Ca 0.08 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.13 1wh0 s ALA 120 Cb -0.12 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.61 1wh0 s ALA 120 CO 0.02 -0.95 0.32 -0.35 0.00 0.00 0.00 175.76 174.79 1wh0 n PRO 121 N -0.50 -1.64 -3.18 0.00 -0.04 -1.26 -4.51 135.00 123.87 1wh0 n PRO 121 Ca 0.07 -0.51 -0.15 0.00 -0.04 0.00 0.00 63.50 62.88 1wh0 n PRO 121 Cb 0.46 -0.47 0.05 0.00 -0.04 0.00 0.00 33.50 33.49 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 -3.54 -0.83 -2.51 0.55 0.00 -1.26 -5.03 120.51 107.88 1wh0 n ALA 122 Ca -0.06 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 1wh0 n ALA 122 Cb 0.17 -3.60 -0.11 0.00 0.00 0.00 0.00 19.45 15.91 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 -3.20 2.77 0.05 0.00 0.00 -1.26 -5.08 121.76 115.03 1wh0 s ALA 123 Ca 0.36 -1.36 -0.32 0.00 0.00 0.00 0.00 51.96 50.64 1wh0 s ALA 123 Cb -0.16 -0.69 -0.11 0.00 0.00 0.00 0.00 23.12 22.16 1wh0 s ALA 123 CO 0.46 0.58 1.87 -2.13 0.00 0.00 0.00 175.76 176.53 1wh0 n ARG 124 N 0.64 2.60 -5.15 0.00 0.00 -1.26 -4.98 116.66 108.51 1wh0 n ARG 124 Ca -0.14 0.95 -0.32 0.00 -0.00 0.00 0.00 57.85 58.34 1wh0 n ARG 124 Cb 0.53 -2.84 -0.15 0.00 0.00 0.00 0.00 32.46 30.00 1wh0 n ARG 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wh0 s VAL 125 N 3.43 2.41 0.00 5.15 1.01 -1.26 -5.07 120.40 126.07 1wh0 s VAL 125 Ca 0.87 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1wh0 s VAL 125 Cb -0.54 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1wh0 s VAL 125 CO 0.43 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.71 1wh0 n GLY 126 N 2.57 4.20 2.72 4.51 0.00 -1.26 -5.11 105.19 112.81 1wh0 n GLY 126 Ca -0.17 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 0.50 0.35 -0.02 0.00 -1.26 -4.99 105.19 99.77 1wh0 n GLY 127 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 h ALA 128 N 3.34 1.24 -2.31 4.61 0.00 -1.99 -3.39 119.26 120.76 1wh0 h ALA 128 Ca -0.11 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.13 1wh0 h ALA 128 Cb 1.07 -0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1wh0 h ALA 128 CO 0.21 0.47 0.15 -1.54 0.00 0.00 0.00 179.25 178.54 1wh0 s SER 129 N -5.94 6.42 0.00 0.00 1.04 -1.26 -4.88 113.70 109.08 1wh0 s SER 129 Ca -0.13 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wh0 s SER 129 Cb 0.18 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1wh0 s SER 129 CO 0.81 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1wh0 n GLY 130 N 4.68 3.22 3.77 7.32 0.00 -1.26 -5.13 105.19 117.79 1wh0 n GLY 130 Ca -0.01 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1wh0 n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh0 s PRO 131 N -1.40 3.84 -0.58 1.61 0.04 -1.26 -4.96 135.00 132.28 1wh0 s PRO 131 Ca 0.00 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1wh0 s PRO 131 Cb 0.00 -2.48 0.44 0.00 0.04 0.00 0.00 34.50 32.49 1wh0 s PRO 131 CO 0.00 -0.49 1.75 0.43 0.04 0.00 0.00 177.00 178.73 1wh0 n SER 132 N -0.33 6.77 -4.98 6.66 7.64 -1.26 -5.00 113.62 123.12 1wh0 n SER 132 Ca 0.06 -3.78 -0.20 0.00 1.01 0.00 0.00 58.87 55.96 1wh0 n SER 132 Cb 0.47 -0.79 0.01 0.00 -1.01 0.00 0.00 64.21 62.90 1wh0 n SER 132 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh0 s SER 133 N -2.30 5.69 0.00 6.43 0.15 -1.26 -5.37 113.70 117.05 1wh0 s SER 133 Ca 0.58 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1wh0 s SER 133 Cb 0.47 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1wh0 s SER 133 CO -0.07 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.23