#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 3.43 -3.67 1.61 3.41 -1.26 -5.05 113.62 112.09 1wh0 n SER 2 Ca 0.00 -3.05 -0.14 0.00 -0.26 0.00 0.00 58.87 55.42 1wh0 n SER 2 Cb 0.00 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.46 1wh0 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh0 s SER 3 N -3.63 -0.31 -0.29 4.04 0.15 -1.26 -5.08 113.70 107.33 1wh0 s SER 3 Ca 0.40 0.11 0.20 0.00 0.70 0.00 0.00 55.95 57.36 1wh0 s SER 3 Cb 0.38 0.41 0.48 0.00 -1.71 0.00 0.00 66.02 65.58 1wh0 s SER 3 CO -0.01 -0.61 1.20 0.61 1.20 0.00 0.00 173.24 175.63 1wh0 n GLY 4 N 0.73 1.80 3.38 9.45 0.00 -1.26 -5.11 105.19 114.18 1wh0 n GLY 4 Ca -0.19 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1wh0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 s SER 5 N -3.10 -0.02 1.13 1.61 0.01 -1.26 -5.17 113.70 106.90 1wh0 s SER 5 Ca 0.23 -0.79 -0.18 0.00 1.31 0.00 0.00 55.95 56.52 1wh0 s SER 5 Cb 0.36 0.46 0.26 0.00 0.21 0.00 0.00 66.02 67.31 1wh0 s SER 5 CO -0.05 -0.93 1.15 -1.54 0.41 0.00 0.00 173.24 172.28 1wh0 n SER 6 N -0.24 -1.07 0.00 2.44 3.41 -1.26 -5.07 113.62 111.83 1wh0 n SER 6 Ca -0.08 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1wh0 n SER 6 Cb 0.63 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 -3.94 1.13 3.35 5.00 0.00 -1.26 -5.12 105.19 104.35 1wh0 n GLY 7 Ca 0.15 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.42 1.61 3.14 -1.26 -4.59 118.33 115.81 1wh0 n VAL 8 Ca 0.00 -0.26 -0.47 0.00 -2.96 0.00 0.00 64.34 60.65 1wh0 n VAL 8 Cb 0.00 -0.63 -0.13 0.00 -1.06 0.00 0.00 33.84 32.02 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1wh0 n ASP 9 N -1.68 0.57 -4.21 6.55 5.75 -1.26 -4.81 116.55 117.45 1wh0 n ASP 9 Ca 0.03 0.33 -0.35 0.00 -0.01 0.00 0.00 54.79 54.79 1wh0 n ASP 9 Cb 0.58 -0.95 0.06 0.00 -1.03 0.00 0.00 41.12 39.79 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wh0 n GLU 10 N 8.18 -0.04 0.00 0.11 1.02 -1.26 -4.76 120.64 123.89 1wh0 n GLU 10 Ca 0.61 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.79 1wh0 n GLU 10 Cb 0.03 -1.37 0.21 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.72 0.49 -0.28 3.49 -0.04 -1.26 -4.15 135.00 133.96 1wh0 n PRO 11 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1wh0 n PRO 11 Cb 0.53 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.72 -0.21 -0.33 0.54 -0.00 -1.26 0.24 120.64 118.90 1wh0 n GLU 12 Ca 0.05 1.10 0.11 0.00 -0.00 0.00 0.00 57.16 58.42 1wh0 n GLU 12 Cb 0.02 -1.62 0.29 0.00 -0.00 0.00 0.00 31.44 30.13 1wh0 n GLU 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1wh0 h SER 13 N 0.00 0.65 -4.16 -1.84 0.02 -1.95 -3.41 113.55 102.86 1wh0 h SER 13 Ca 0.21 0.10 -0.50 0.00 -0.84 0.00 0.00 61.79 60.77 1wh0 h SER 13 Cb 0.39 -0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.01 1wh0 h SER 13 CO -0.70 0.22 0.39 -0.04 -1.14 0.00 0.00 176.83 175.56 1wh0 s MET 14 N -5.89 3.15 -0.29 3.45 -1.94 0.67 -5.00 119.30 113.44 1wh0 s MET 14 Ca -0.12 1.39 -0.17 0.00 -1.71 0.00 0.00 55.69 55.08 1wh0 s MET 14 Cb 0.24 -2.00 -0.02 0.00 2.01 0.00 0.00 34.83 35.06 1wh0 s MET 14 CO 0.79 -0.97 0.48 0.08 -0.01 0.00 0.00 175.02 175.39 1wh0 s VAL 15 N -2.21 5.08 -0.23 -6.03 1.01 -1.00 -4.95 120.40 112.07 1wh0 s VAL 15 Ca 0.67 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 63.08 1wh0 s VAL 15 Cb -0.20 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1wh0 s VAL 15 CO 0.35 0.00 0.63 0.20 0.00 0.00 0.00 175.10 176.28 1wh0 s ASN 16 N 1.64 6.62 0.48 3.32 -0.87 -1.26 -0.33 114.94 124.54 1wh0 s ASN 16 Ca 0.19 0.76 -0.20 0.00 -1.57 0.00 0.00 52.86 52.03 1wh0 s ASN 16 Cb -0.16 -2.34 -0.08 0.00 -0.02 0.00 0.00 41.25 38.65 1wh0 s ASN 16 CO 0.11 -0.33 1.04 -0.76 -2.57 0.00 0.00 177.10 174.59 1wh0 s LEU 17 N 2.24 3.86 -0.19 0.60 1.43 0.10 -4.89 118.68 121.83 1wh0 s LEU 17 Ca 0.27 1.94 0.09 0.00 -1.03 0.00 0.00 54.13 55.40 1wh0 s LEU 17 Cb -0.16 -4.54 -0.18 0.00 0.03 0.00 0.00 46.19 41.34 1wh0 s LEU 17 CO 0.09 -0.77 -0.06 0.00 0.23 0.00 0.00 176.35 175.84 1wh0 n ALA 18 N -0.92 1.55 -3.68 4.21 0.00 -1.26 -4.53 120.51 115.87 1wh0 n ALA 18 Ca 0.09 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 1wh0 n ALA 18 Cb 0.52 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.43 -0.62 -0.09 0.00 5.36 -1.26 -5.07 117.98 113.88 1wh0 s PHE 19 Ca -0.18 1.28 0.03 0.00 -0.96 0.00 0.00 56.93 57.10 1wh0 s PHE 19 Cb 0.06 0.22 0.01 0.00 -0.34 0.00 0.00 43.02 42.97 1wh0 s PHE 19 CO 0.61 -0.38 -0.19 0.08 -1.46 0.00 0.00 175.22 173.88 1wh0 s VAL 20 N 1.90 1.67 -0.42 3.12 1.01 -1.26 -5.07 120.40 121.35 1wh0 s VAL 20 Ca -0.06 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 1wh0 s VAL 20 Cb -0.10 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.73 1wh0 s VAL 20 CO -0.12 0.47 2.35 1.17 0.00 0.00 0.00 175.10 178.97 1wh0 n LYS 21 N 3.64 1.27 -3.86 2.72 0.00 -1.26 -4.90 118.16 115.78 1wh0 n LYS 21 Ca -0.21 0.21 -0.09 0.00 0.00 0.00 0.00 58.31 58.21 1wh0 n LYS 21 Cb 0.52 -3.13 -0.06 0.00 0.00 0.00 0.00 35.03 32.36 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 10.17 -0.02 -0.07 3.14 6.03 -1.26 -1.11 114.94 131.83 1wh0 s ASN 22 Ca 1.03 -0.68 -0.03 0.00 -1.03 0.00 0.00 52.86 52.15 1wh0 s ASN 22 Cb -0.38 0.43 0.04 0.00 -3.03 0.00 0.00 41.25 38.31 1wh0 s ASN 22 CO 0.33 -0.87 0.13 -0.62 -2.03 0.00 0.00 177.10 174.05 1wh0 s ASP 23 N -2.90 0.58 0.05 3.54 2.15 0.72 -4.94 116.67 115.87 1wh0 s ASP 23 Ca 0.11 0.26 0.09 0.00 0.43 0.00 0.00 52.55 53.44 1wh0 s ASP 23 Cb 0.03 0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.78 1wh0 s ASP 23 CO -0.05 -0.22 -0.24 -0.55 -0.17 0.00 0.00 175.17 173.94 1wh0 s SER 24 N 1.95 3.37 0.19 -0.34 0.15 -1.26 -0.54 113.70 117.21 1wh0 s SER 24 Ca -0.00 -0.55 0.09 0.00 0.70 0.00 0.00 55.95 56.20 1wh0 s SER 24 Cb -0.12 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 1wh0 s SER 24 CO -0.05 0.26 -0.19 -0.72 1.20 0.00 0.00 173.24 173.74 1wh0 s TYR 25 N -0.85 1.95 -0.73 3.44 -0.85 -0.70 -4.99 117.35 114.63 1wh0 s TYR 25 Ca 0.13 -0.45 -0.26 0.00 -0.52 0.00 0.00 57.07 55.97 1wh0 s TYR 25 Cb -0.10 -0.94 0.00 0.00 0.38 0.00 0.00 41.96 41.30 1wh0 s TYR 25 CO 0.03 0.42 1.63 -1.21 -1.52 0.00 0.00 175.55 174.90 1wh0 s GLU 26 N -3.01 2.91 0.17 -3.49 2.02 -1.26 -2.88 118.70 113.15 1wh0 s GLU 26 Ca 0.20 0.04 -0.05 0.00 0.02 0.00 0.00 54.97 55.18 1wh0 s GLU 26 Cb -0.05 -4.48 -0.05 0.00 0.10 0.00 0.00 34.13 29.64 1wh0 s GLU 26 CO 0.08 -2.55 0.40 0.21 0.02 0.00 0.00 175.26 173.43 1wh0 s LYS 27 N 6.39 3.62 0.16 1.61 2.20 -0.43 -4.99 119.74 128.30 1wh0 s LYS 27 Ca 0.54 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1wh0 s LYS 27 Cb -0.09 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1wh0 s LYS 27 CO 0.13 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.96 1wh0 n GLY 28 N -0.11 0.24 0.08 5.54 0.00 -1.26 -1.17 105.19 108.52 1wh0 n GLY 28 Ca -0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.08 0.00 1.61 0.13 -2.03 -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 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wh0 h PRO 29 CO 0.00 0.38 -0.07 -0.25 -0.23 0.00 0.00 178.00 177.82 1wh0 n ASP 30 N -4.90 1.78 -4.87 1.44 9.92 -1.26 -4.43 116.55 114.23 1wh0 n ASP 30 Ca -0.08 -2.54 -0.32 0.00 -0.53 0.00 0.00 54.79 51.31 1wh0 n ASP 30 Cb 0.25 -0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 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 -1.98 6.64 -0.25 -2.24 0.01 -0.31 0.14 113.70 115.70 1wh0 s SER 31 Ca 0.18 1.00 -0.02 0.00 1.31 0.00 0.00 55.95 58.42 1wh0 s SER 31 Cb 0.16 -2.26 0.13 0.00 0.21 0.00 0.00 66.02 64.25 1wh0 s SER 31 CO 0.02 -0.13 0.31 -0.69 0.41 0.00 0.00 173.24 173.16 1wh0 s VAL 32 N -1.90 -0.46 0.04 3.43 1.01 -0.61 -1.31 120.40 120.60 1wh0 s VAL 32 Ca 0.49 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1wh0 s VAL 32 Cb -0.11 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 1wh0 s VAL 32 CO 0.21 -0.27 0.59 -0.69 0.00 0.00 0.00 175.10 174.94 1wh0 s VAL 33 N 2.42 4.79 -0.07 2.92 1.01 -1.14 -0.84 120.40 129.50 1wh0 s VAL 33 Ca 0.10 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.38 1wh0 s VAL 33 Cb -0.15 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1wh0 s VAL 33 CO -0.21 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.47 1wh0 s VAL 34 N -0.73 1.89 -0.23 2.92 1.01 -0.56 -1.72 120.40 123.00 1wh0 s VAL 34 Ca 0.30 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1wh0 s VAL 34 Cb -0.19 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1wh0 s VAL 34 CO 0.19 0.53 -0.06 -1.00 0.00 0.00 0.00 175.10 174.75 1wh0 s HIS 35 N 0.09 2.97 -0.23 5.22 3.76 0.29 -2.06 115.29 125.34 1wh0 s HIS 35 Ca -0.09 -1.20 -0.09 0.00 -0.15 0.00 0.00 55.06 53.53 1wh0 s HIS 35 Cb -0.15 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 1wh0 s HIS 35 CO 0.05 -0.63 0.12 0.08 -0.85 0.00 0.00 174.74 173.51 1wh0 s VAL 36 N 1.42 4.99 -0.75 -0.90 1.01 -0.66 -0.20 120.40 125.31 1wh0 s VAL 36 Ca 0.04 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1wh0 s VAL 36 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1wh0 s VAL 36 CO -0.05 0.36 1.28 -0.31 0.00 0.00 0.00 175.10 176.39 1wh0 s TYR 37 N 1.06 2.29 -0.14 5.22 1.51 -0.26 -1.23 117.35 125.80 1wh0 s TYR 37 Ca 0.06 -0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1wh0 s TYR 37 Cb -0.14 -4.63 0.13 0.00 -0.11 0.00 0.00 41.96 37.21 1wh0 s TYR 37 CO 0.04 -2.07 1.01 0.54 -1.11 0.00 0.00 175.55 173.95 1wh0 s VAL 38 N 5.70 0.00 0.34 0.71 0.11 -1.08 -4.83 120.40 121.36 1wh0 s VAL 38 Ca 0.35 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.47 1wh0 s VAL 38 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1wh0 s VAL 38 CO 0.14 0.00 0.25 -0.54 -3.33 0.00 0.00 175.10 171.63 1wh0 s LYS 39 N -1.56 1.77 -1.51 1.54 1.02 -1.26 -2.92 119.74 116.81 1wh0 s LYS 39 Ca 0.01 -2.04 -0.13 0.00 0.02 0.00 0.00 55.97 53.83 1wh0 s LYS 39 Cb -0.01 0.20 0.09 0.00 -0.52 0.00 0.00 37.83 37.59 1wh0 s LYS 39 CO -0.01 -0.62 0.85 0.39 -0.92 0.00 0.00 175.35 175.04 1wh0 n GLU 40 N -0.66 -4.89 -3.09 1.68 -0.58 -1.26 -3.95 120.64 107.89 1wh0 n GLU 40 Ca 0.05 0.58 -0.30 0.00 -0.42 0.00 0.00 57.16 57.08 1wh0 n GLU 40 Cb 0.63 -5.42 -0.03 0.00 -0.57 0.00 0.00 31.44 26.04 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 -3.22 4.89 -0.48 -3.67 1.01 -1.26 -2.30 121.20 116.18 1wh0 s ILE 41 Ca 0.60 0.37 -0.13 0.00 0.00 0.00 0.00 60.65 61.49 1wh0 s ILE 41 Cb -0.31 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.53 1wh0 s ILE 41 CO 0.74 -0.41 0.38 0.00 0.00 0.00 0.00 174.94 175.65 1wh0 n ARG 43 N 5.12 0.17 0.00 0.00 1.74 -1.26 -0.39 116.66 122.04 1wh0 n ARG 43 Ca -0.12 0.17 -0.18 0.00 -0.77 0.00 0.00 57.85 56.95 1wh0 n ARG 43 Cb 0.42 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.33 -0.42 0.55 3.32 -2.00 -3.37 116.42 114.83 1wh0 h ASP 44 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1wh0 h ASP 44 Cb 0.11 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wh0 h ASP 44 CO 0.00 1.64 0.00 0.35 -1.72 0.00 0.00 179.24 179.51 1wh0 n THR 45 N -3.38 0.99 -3.96 0.35 -2.24 -0.93 -4.92 114.28 100.19 1wh0 n THR 45 Ca -0.28 -1.00 -0.35 0.00 -2.27 0.00 0.00 64.05 60.16 1wh0 n THR 45 Cb 1.05 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.00 4.17 0.43 3.42 0.01 0.47 -4.40 113.70 116.80 1wh0 s SER 46 Ca 0.28 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.89 1wh0 s SER 46 Cb 0.15 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.68 1wh0 s SER 46 CO 0.19 -0.08 0.09 0.00 0.41 0.00 0.00 173.24 173.86 1wh0 s ARG 47 N 1.38 1.98 -0.09 12.44 1.04 0.55 -4.76 118.95 131.49 1wh0 s ARG 47 Ca 0.03 -2.22 -0.04 0.00 -1.04 0.00 0.00 55.73 52.46 1wh0 s ARG 47 Cb -0.15 -0.86 0.05 0.00 -2.04 0.00 0.00 34.95 31.95 1wh0 s ARG 47 CO -0.05 -0.43 0.18 0.08 -0.04 0.00 0.00 175.30 175.04 1wh0 s VAL 48 N -3.12 -0.21 -0.31 4.99 1.01 -1.26 -0.16 120.40 121.34 1wh0 s VAL 48 Ca 0.20 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1wh0 s VAL 48 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1wh0 s VAL 48 CO 0.12 0.11 0.19 -0.76 0.00 0.00 0.00 175.10 174.76 1wh0 s LEU 49 N 1.91 4.18 -0.44 3.92 1.43 0.21 -4.97 118.68 124.90 1wh0 s LEU 49 Ca -0.02 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1wh0 s LEU 49 Cb -0.12 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.07 1wh0 s LEU 49 CO -0.07 -0.16 0.46 -0.36 0.23 0.00 0.00 176.35 176.46 1wh0 s PHE 50 N 1.69 3.16 0.52 0.29 0.08 -1.26 0.76 117.98 123.21 1wh0 s PHE 50 Ca 0.06 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 1wh0 s PHE 50 Cb -0.17 -3.04 0.11 0.00 -0.57 0.00 0.00 43.02 39.35 1wh0 s PHE 50 CO 0.09 -0.77 0.71 0.54 -0.10 0.00 0.00 175.22 175.68 1wh0 n ARG 51 N 5.64 -0.07 0.10 0.44 1.74 0.12 -4.65 116.66 119.98 1wh0 n ARG 51 Ca -0.08 -1.72 -0.22 0.00 -0.77 0.00 0.00 57.85 55.06 1wh0 n ARG 51 Cb 0.46 -0.53 -0.15 0.00 -1.02 0.00 0.00 32.46 31.22 1wh0 n ARG 51 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1wh0 h GLU 52 N 0.00 0.42 -0.05 5.56 4.11 -1.97 -3.36 114.58 119.28 1wh0 h GLU 52 Ca -0.23 -0.71 -0.00 0.00 0.07 0.00 0.00 59.36 58.48 1wh0 h GLU 52 Cb 0.81 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wh0 h GLU 52 CO 0.23 1.33 -0.00 0.94 0.07 0.00 0.00 179.01 181.57 1wh0 n GLN 53 N -3.61 1.58 -3.63 1.06 7.27 -1.26 -0.26 117.38 118.53 1wh0 n GLN 53 Ca -0.20 -2.64 0.01 0.00 0.07 0.00 0.00 57.00 54.24 1wh0 n GLN 53 Cb 1.08 -1.56 0.01 0.00 2.41 0.00 0.00 30.24 32.18 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 -1.20 -3.37 1.69 5.75 -1.26 -2.25 116.55 114.64 1wh0 n ASP 54 Ca 0.17 -1.42 0.02 0.00 -0.01 0.00 0.00 54.79 53.54 1wh0 n ASP 54 Cb 0.69 1.90 -0.02 0.00 -1.03 0.00 0.00 41.12 42.66 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 -2.35 -1.47 0.11 2.11 -0.12 -1.12 0.14 117.98 115.28 1wh0 s PHE 55 Ca 0.24 1.97 -0.14 0.00 -0.05 0.00 0.00 56.93 58.95 1wh0 s PHE 55 Cb -0.01 0.67 -0.07 0.00 -0.63 0.00 0.00 43.02 42.98 1wh0 s PHE 55 CO 0.01 -0.77 0.50 0.99 -0.05 0.00 0.00 175.22 175.90 1wh0 s THR 56 N 2.87 4.92 -0.25 -4.49 2.01 0.23 -3.02 115.64 117.91 1wh0 s THR 56 Ca 0.09 0.78 -0.00 0.00 0.31 0.00 0.00 61.69 62.87 1wh0 s THR 56 Cb -0.14 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.72 1wh0 s THR 56 CO -0.20 0.32 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.83 1wh0 s LEU 57 N -1.78 2.38 -0.29 4.42 2.96 0.15 0.63 118.68 127.16 1wh0 s LEU 57 Ca 0.34 -1.25 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 1wh0 s LEU 57 Cb -0.15 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 1wh0 s LEU 57 CO 0.18 -0.29 0.13 -0.63 -1.32 0.00 0.00 176.35 174.42 1wh0 s ILE 58 N 1.50 4.63 -0.16 6.68 1.09 0.77 -1.26 121.20 134.45 1wh0 s ILE 58 Ca -0.01 -0.24 -0.15 0.00 -1.10 0.00 0.00 60.65 59.16 1wh0 s ILE 58 Cb -0.18 -3.27 0.04 0.00 -1.06 0.00 0.00 42.46 37.99 1wh0 s ILE 58 CO -0.10 0.19 0.43 0.72 -0.10 0.00 0.00 174.94 176.08 1wh0 s PHE 59 N 1.64 -0.49 -0.41 3.97 -0.12 -1.04 0.21 117.98 121.74 1wh0 s PHE 59 Ca 0.06 1.17 -0.12 0.00 -0.05 0.00 0.00 56.93 57.98 1wh0 s PHE 59 Cb -0.16 0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1wh0 s PHE 59 CO 0.06 -0.24 0.28 -0.65 -0.05 0.00 0.00 175.22 174.62 1wh0 s GLN 60 N 0.32 2.83 -0.11 1.99 -0.21 -1.26 -3.62 119.66 119.60 1wh0 s GLN 60 Ca -0.01 -1.22 -0.08 0.00 0.02 0.00 0.00 55.36 54.07 1wh0 s GLN 60 Cb -0.03 -3.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.06 1wh0 s GLN 60 CO -0.01 -0.84 0.17 -0.08 -2.12 0.00 0.00 175.29 172.41 1wh0 s THR 61 N 1.57 5.46 -0.18 -0.19 -1.32 -1.26 -2.66 115.64 117.06 1wh0 s THR 61 Ca 0.03 0.27 0.15 0.00 -1.21 0.00 0.00 61.69 60.93 1wh0 s THR 61 Cb -0.21 -3.43 0.38 0.00 -1.51 0.00 0.00 72.50 67.72 1wh0 s THR 61 CO 0.06 0.61 1.22 -2.11 -2.21 0.00 0.00 174.62 172.20 1wh0 n ARG 62 N 2.00 1.56 -2.93 7.08 1.85 -0.97 -4.27 116.66 120.99 1wh0 n ARG 62 Ca -0.19 -2.93 -0.43 0.00 -1.00 0.00 0.00 57.85 53.29 1wh0 n ARG 62 Cb 0.55 -1.60 -0.05 0.00 -1.05 0.00 0.00 32.46 30.31 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 -2.92 6.39 0.57 2.89 -1.08 -1.25 -4.90 116.67 116.36 1wh0 s ASP 63 Ca 0.36 -0.22 0.43 0.00 -0.52 0.00 0.00 52.55 52.61 1wh0 s ASP 63 Cb 0.33 -2.40 1.50 0.00 -1.46 0.00 0.00 42.92 40.89 1wh0 s ASP 63 CO -0.01 -1.02 1.50 1.23 0.52 0.00 0.00 175.17 177.39 1wh0 h GLY 64 N 10.39 0.00 0.97 2.66 0.00 -1.94 1.26 103.07 116.40 1wh0 h GLY 64 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1wh0 h GLY 64 CO 1.00 0.00 -0.13 3.43 0.00 0.00 0.00 176.54 180.84 1wh0 h ASN 65 N 0.00 0.75 0.24 0.19 2.35 -1.99 0.14 115.58 117.26 1wh0 h ASN 65 Ca 0.81 -0.38 -0.34 0.00 -0.55 0.00 0.00 56.30 55.83 1wh0 h ASN 65 Cb 3.52 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 41.71 1wh0 h ASN 65 CO -0.01 0.96 -1.61 0.15 -1.65 0.00 0.00 177.43 175.27 1wh0 h PHE 66 N 0.52 0.85 0.13 1.19 3.04 0.11 -3.34 116.94 119.43 1wh0 h PHE 66 Ca 0.09 -0.62 -0.01 0.00 3.98 0.00 0.00 57.97 61.41 1wh0 h PHE 66 Cb 0.66 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1wh0 h PHE 66 CO 0.05 1.61 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.82 1wh0 h LEU 67 N 0.13 -0.14 -0.97 0.59 3.38 -0.86 -2.95 115.31 114.49 1wh0 h LEU 67 Ca -0.30 -0.16 0.32 0.00 0.09 0.00 0.00 57.88 57.84 1wh0 h LEU 67 Cb 2.14 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 42.76 1wh0 h LEU 67 CO 0.23 0.08 0.37 0.03 0.09 0.00 0.00 178.44 179.23 1wh0 h ARG 68 N -0.36 0.12 -0.93 1.13 3.08 -1.12 0.90 114.38 117.20 1wh0 h ARG 68 Ca -0.02 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1wh0 h ARG 68 Cb 0.29 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1wh0 h ARG 68 CO 0.03 0.08 0.60 -0.07 -1.07 0.00 0.00 179.97 179.54 1wh0 h LEU 69 N 0.13 0.97 -7.84 3.04 3.38 -1.64 -3.33 115.31 110.02 1wh0 h LEU 69 Ca 0.70 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 57.93 1wh0 h LEU 69 Cb 1.64 -0.20 -0.28 0.00 0.09 0.00 0.00 40.66 41.90 1wh0 h LEU 69 CO -0.74 0.63 -0.15 -1.00 0.09 0.00 0.00 178.44 177.27 1wh0 s HIS 70 N -6.06 3.54 0.60 1.13 3.76 0.31 -5.07 115.29 113.50 1wh0 s HIS 70 Ca -0.13 -2.02 -0.17 0.00 -0.15 0.00 0.00 55.06 52.59 1wh0 s HIS 70 Cb 0.19 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 30.23 1wh0 s HIS 70 CO 0.80 -0.96 1.12 -1.25 -0.85 0.00 0.00 174.74 173.60 1wh0 s PRO 71 N 0.57 3.06 0.00 8.40 0.04 -1.25 -3.32 135.00 142.50 1wh0 s PRO 71 Ca 0.13 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1wh0 s PRO 71 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1wh0 s PRO 71 CO -0.04 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.35 1wh0 n GLY 72 N -0.20 2.96 4.01 0.56 0.00 -1.26 -5.00 105.19 106.26 1wh0 n GLY 72 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.10 3.09 0.23 0.00 0.00 -1.26 -5.00 105.19 100.14 1wh0 n GLY 74 Ca 0.12 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.40 1.61 0.13 -1.92 -2.52 132.00 128.91 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 0.22 0.00 -2.39 -0.23 0.00 0.00 178.00 175.60 1wh0 n HIS 76 N -3.48 0.52 -3.09 1.56 1.44 -1.26 -4.54 115.22 106.36 1wh0 n HIS 76 Ca -0.00 -0.26 -0.41 0.00 -2.01 0.00 0.00 57.72 55.03 1wh0 n HIS 76 Cb 0.39 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.43 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 -1.48 4.92 0.27 0.61 2.01 -0.95 -5.04 115.64 115.98 1wh0 s THR 77 Ca 0.38 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 1wh0 s THR 77 Cb 0.21 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1wh0 s THR 77 CO 0.30 -0.16 1.33 -0.89 -0.69 0.00 0.00 174.62 174.50 1wh0 s THR 78 N 2.65 2.89 -0.20 -0.82 2.01 -1.26 -4.69 115.64 116.22 1wh0 s THR 78 Ca 0.26 0.81 0.01 0.00 0.31 0.00 0.00 61.69 63.08 1wh0 s THR 78 Cb -0.15 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1wh0 s THR 78 CO 0.12 0.16 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.69 1wh0 s PHE 79 N -0.53 2.80 -0.31 4.92 0.08 -1.24 -2.37 117.98 121.34 1wh0 s PHE 79 Ca 0.53 -1.76 -0.09 0.00 0.12 0.00 0.00 56.93 55.72 1wh0 s PHE 79 Cb -0.39 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1wh0 s PHE 79 CO 0.46 -0.81 0.14 0.50 -0.10 0.00 0.00 175.22 175.42 1wh0 s ARG 80 N 1.28 3.32 -0.41 0.44 3.52 0.55 -2.48 118.95 125.17 1wh0 s ARG 80 Ca 0.01 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.81 1wh0 s ARG 80 Cb -0.15 -3.54 0.08 0.00 -1.56 0.00 0.00 34.95 29.78 1wh0 s ARG 80 CO -0.10 -0.41 0.23 -0.46 -0.81 0.00 0.00 175.30 173.74 1wh0 s TRP 81 N 1.60 3.38 -0.19 5.12 -0.00 -0.38 0.01 118.94 128.47 1wh0 s TRP 81 Ca 0.04 -1.74 -0.07 0.00 -0.00 0.00 0.00 56.10 54.33 1wh0 s TRP 81 Cb -0.17 -2.94 -0.04 0.00 -0.00 0.00 0.00 33.47 30.32 1wh0 s TRP 81 CO 0.06 -0.87 0.05 -1.14 -0.00 0.00 0.00 176.95 175.04 1wh0 s GLN 82 N 1.35 3.83 -0.12 5.86 0.74 -1.26 0.32 119.66 130.39 1wh0 s GLN 82 Ca 0.03 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1wh0 s GLN 82 Cb -0.23 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 1wh0 s GLN 82 CO 0.00 0.15 -0.17 0.08 -0.55 0.00 0.00 175.29 174.80 1wh0 s VAL 83 N 0.69 2.72 -0.49 1.34 1.01 -1.17 -5.00 120.40 119.50 1wh0 s VAL 83 Ca 0.02 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 1wh0 s VAL 83 Cb -0.13 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1wh0 s VAL 83 CO 0.02 0.54 0.56 -0.75 0.00 0.00 0.00 175.10 175.47 1wh0 s LYS 84 N 0.29 3.09 0.32 2.72 2.20 -1.26 -2.77 119.74 124.33 1wh0 s LYS 84 Ca -0.12 -0.96 -0.25 0.00 -0.36 0.00 0.00 55.97 54.27 1wh0 s LYS 84 Cb -0.16 -4.09 -0.10 0.00 -1.51 0.00 0.00 37.83 31.97 1wh0 s LYS 84 CO 0.06 -1.14 0.92 -0.51 -0.36 0.00 0.00 175.35 174.33 1wh0 s LEU 85 N 2.37 4.31 -0.02 5.43 1.43 -0.95 -0.18 118.68 131.06 1wh0 s LEU 85 Ca 0.13 1.78 -0.23 0.00 -1.03 0.00 0.00 54.13 54.77 1wh0 s LEU 85 Cb -0.20 -4.02 -0.16 0.00 0.03 0.00 0.00 46.19 41.84 1wh0 s LEU 85 CO 0.11 -0.08 1.07 0.03 0.23 0.00 0.00 176.35 177.71 1wh0 h ARG 86 N 3.09 -0.28 -6.11 1.70 3.08 -1.86 -3.45 114.38 110.55 1wh0 h ARG 86 Ca -0.47 0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.04 1wh0 h ARG 86 Cb 1.19 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1wh0 h ARG 86 CO 0.65 0.10 -0.40 -0.80 -1.07 0.00 0.00 179.97 178.44 1wh0 s ASN 87 N -5.30 6.37 0.90 7.04 -0.87 -1.26 -5.09 114.94 116.73 1wh0 s ASN 87 Ca -0.14 0.31 -0.11 0.00 -1.57 0.00 0.00 52.86 51.36 1wh0 s ASN 87 Cb 0.01 -1.97 0.14 0.00 -0.02 0.00 0.00 41.25 39.41 1wh0 s ASN 87 CO 0.52 0.03 1.12 -0.76 -2.57 0.00 0.00 177.10 175.44 1wh0 s LEU 88 N -3.12 2.66 0.00 0.60 1.43 -1.26 -4.86 118.68 114.13 1wh0 s LEU 88 Ca 0.37 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1wh0 s LEU 88 Cb -0.11 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 1wh0 s LEU 88 CO 0.28 -2.91 0.27 2.30 0.23 0.00 0.00 176.35 176.52 1wh0 n ILE 89 N -4.10 0.00 -3.94 -0.59 -5.35 0.65 -3.23 119.36 102.80 1wh0 n ILE 89 Ca 0.10 -1.98 -0.31 0.00 -0.27 0.00 0.00 62.75 60.29 1wh0 n ILE 89 Cb 0.53 1.02 -0.14 0.00 -1.74 0.00 0.00 39.64 39.31 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 -3.07 1.94 0.36 6.28 2.02 0.54 -4.75 118.70 122.02 1wh0 s GLU 90 Ca 0.32 -2.45 0.27 0.00 0.02 0.00 0.00 54.97 53.13 1wh0 s GLU 90 Cb 0.01 -3.35 1.13 0.00 0.10 0.00 0.00 34.13 32.03 1wh0 s GLU 90 CO 0.23 -1.08 1.81 -1.00 0.02 0.00 0.00 175.26 175.24 1wh0 h PRO 91 N 6.80 0.00 0.00 0.39 0.13 -1.83 -2.65 132.00 134.84 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 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1wh0 h PRO 91 CO 0.66 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.36 1wh0 h GLU 92 N 0.00 0.00 0.00 0.86 5.08 -1.92 -2.85 114.58 115.75 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 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wh0 h GLU 92 CO 0.00 0.00 -0.72 1.04 -1.00 0.00 0.00 179.01 178.33 1wh0 n GLN 93 N -2.53 2.89 -0.64 2.33 6.02 -1.02 -5.04 117.38 119.39 1wh0 n GLN 93 Ca 0.01 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 1wh0 n GLN 93 Cb 0.24 -0.95 0.20 0.00 1.02 0.00 0.00 30.24 30.76 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 -2.57 0.02 -0.07 0.00 -4.23 -0.93 -5.02 115.64 102.84 1wh0 s THR 95 Ca 0.67 -0.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1wh0 s THR 95 Cb -0.24 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 72.84 1wh0 s THR 95 CO 0.61 -0.11 -0.09 0.72 -0.54 0.00 0.00 174.62 175.22 1wh0 s PHE 96 N -0.91 1.27 -0.15 3.99 -0.12 -1.26 -1.43 117.98 119.38 1wh0 s PHE 96 Ca -0.10 -0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 56.20 1wh0 s PHE 96 Cb -0.03 -1.02 0.05 0.00 -0.63 0.00 0.00 43.02 41.40 1wh0 s PHE 96 CO 0.06 -0.33 0.36 0.00 -0.05 0.00 0.00 175.22 175.26 1wh0 s PHE 98 N 1.34 2.88 0.10 0.00 0.40 -1.26 -0.45 117.98 121.00 1wh0 s PHE 98 Ca -0.09 1.41 0.01 0.00 -0.60 0.00 0.00 56.93 57.65 1wh0 s PHE 98 Cb -0.09 -2.98 -0.00 0.00 0.51 0.00 0.00 43.02 40.46 1wh0 s PHE 98 CO -0.11 -1.53 0.02 0.25 0.70 0.00 0.00 175.22 174.54 1wh0 n THR 99 N -3.33 0.00 0.00 0.64 -2.24 0.50 -4.72 114.28 105.13 1wh0 n THR 99 Ca 0.08 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1wh0 n THR 99 Cb 0.54 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.60 -0.07 -0.86 6.98 0.00 -1.26 -3.85 120.51 118.85 1wh0 n ALA 100 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1wh0 n ALA 100 Cb 0.14 0.25 0.13 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.70 2.45 -3.87 0.00 3.41 -1.26 -4.83 113.62 107.81 1wh0 n SER 101 Ca 0.00 -2.87 -0.10 0.00 -0.26 0.00 0.00 58.87 55.63 1wh0 n SER 101 Cb 0.00 -0.36 -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 -2.51 1.59 0.02 4.33 1.70 -1.15 -2.62 118.95 120.31 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 -0.65 -0.13 0.42 -1.08 0.00 0.00 175.30 173.89 1wh0 s ILE 103 N -3.83 3.18 -0.15 4.99 1.01 -0.36 0.19 121.20 126.22 1wh0 s ILE 103 Ca 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1wh0 s ILE 103 Cb 0.00 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1wh0 s ILE 103 CO 0.11 0.37 -0.14 -1.81 0.00 0.00 0.00 174.94 173.47 1wh0 s ASP 104 N -1.41 3.77 -0.19 3.58 1.11 0.41 -1.65 116.67 122.29 1wh0 s ASP 104 Ca 0.16 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.44 1wh0 s ASP 104 Cb -0.11 -1.58 0.06 0.00 1.07 0.00 0.00 42.92 42.36 1wh0 s ASP 104 CO 0.06 0.11 0.03 -0.63 1.18 0.00 0.00 175.17 175.92 1wh0 s ILE 105 N 0.68 0.62 -0.29 0.77 1.01 -0.88 -1.04 121.20 122.07 1wh0 s ILE 105 Ca -0.07 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1wh0 s ILE 105 Cb -0.16 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1wh0 s ILE 105 CO 0.02 -0.18 0.61 0.00 0.00 0.00 0.00 174.94 175.39 1wh0 s LEU 107 N 2.54 3.67 -0.73 0.00 1.43 -0.02 -2.18 118.68 123.39 1wh0 s LEU 107 Ca 0.25 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 1wh0 s LEU 107 Cb -0.15 -1.86 0.09 0.00 0.03 0.00 0.00 46.19 44.30 1wh0 s LEU 107 CO 0.11 -0.15 0.98 -0.60 0.23 0.00 0.00 176.35 176.92 1wh0 s ARG 108 N 1.51 3.24 1.04 1.70 6.06 -1.26 -1.58 118.95 129.66 1wh0 s ARG 108 Ca 0.03 -1.16 -0.12 0.00 -2.50 0.00 0.00 55.73 51.98 1wh0 s ARG 108 Cb -0.17 -4.44 0.21 0.00 0.06 0.00 0.00 34.95 30.62 1wh0 s ARG 108 CO 0.02 -1.77 1.08 0.15 -2.50 0.00 0.00 175.30 172.27 1wh0 s LYS 109 N 3.50 0.05 -0.04 5.12 1.02 0.12 -0.33 119.74 129.17 1wh0 s LYS 109 Ca 0.24 1.08 -0.22 0.00 0.02 0.00 0.00 55.97 57.09 1wh0 s LYS 109 Cb -0.14 -1.65 -0.28 0.00 -0.52 0.00 0.00 37.83 35.23 1wh0 s LYS 109 CO 0.04 -3.14 0.96 0.00 -0.92 0.00 0.00 175.35 172.28 1wh0 h ARG 110 N -2.22 0.31 -2.63 1.68 3.08 -1.85 -3.41 114.38 109.35 1wh0 h ARG 110 Ca -0.54 -0.45 -0.11 0.00 0.07 0.00 0.00 59.98 58.96 1wh0 h ARG 110 Cb 1.30 0.15 -0.24 0.00 0.08 0.00 0.00 29.97 31.27 1wh0 h ARG 110 CO 0.48 1.17 -0.20 1.14 -1.07 0.00 0.00 179.97 181.49 1wh0 s GLN 111 N -2.68 0.51 -0.83 0.04 -2.07 -1.26 -5.06 119.66 108.32 1wh0 s GLN 111 Ca -0.14 0.66 -0.21 0.00 -1.82 0.00 0.00 55.36 53.86 1wh0 s GLN 111 Cb 0.01 0.21 -0.19 0.00 -1.09 0.00 0.00 33.01 31.96 1wh0 s GLN 111 CO 0.82 -0.08 2.14 0.45 -1.32 0.00 0.00 175.29 177.30 1wh0 n SER 112 N 3.08 0.73 -4.19 12.60 2.88 -1.26 -4.85 113.62 122.60 1wh0 n SER 112 Ca -0.15 -1.62 -0.24 0.00 -1.33 0.00 0.00 58.87 55.53 1wh0 n SER 112 Cb 0.57 -1.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.49 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 8.10 1.32 -0.14 -1.46 2.00 -1.26 -5.09 119.66 123.13 1wh0 s GLN 113 Ca 0.86 -0.75 -0.32 0.00 -2.00 0.00 0.00 55.36 53.16 1wh0 s GLN 113 Cb -0.21 -1.34 -0.09 0.00 0.80 0.00 0.00 33.01 32.17 1wh0 s GLN 113 CO 0.18 0.35 2.05 -2.13 -0.50 0.00 0.00 175.29 175.25 1wh0 n ARG 114 N 2.26 2.08 0.00 1.67 0.63 -1.26 -4.84 116.66 117.20 1wh0 n ARG 114 Ca -0.16 0.69 -0.09 0.00 -0.92 0.00 0.00 57.85 57.37 1wh0 n ARG 114 Cb 0.54 -2.87 -0.14 0.00 0.45 0.00 0.00 32.46 30.44 1wh0 n ARG 114 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1wh0 h TRP 115 N 11.77 0.05 -3.73 -0.14 4.06 -1.98 -3.48 115.95 122.49 1wh0 h TRP 115 Ca -0.43 -0.03 -0.40 0.00 2.06 0.00 0.00 58.89 60.08 1wh0 h TRP 115 Cb 1.26 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.43 1wh0 h TRP 115 CO 0.93 1.05 -0.55 0.41 -3.56 0.00 0.00 178.44 176.72 1wh0 n GLY 116 N 1.53 -0.51 0.00 1.49 0.00 -1.26 -4.78 105.19 101.66 1wh0 n GLY 116 Ca -0.14 0.06 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 -1.21 3.50 0.42 -0.02 0.00 -1.26 -5.00 105.19 101.62 1wh0 n GLY 117 Ca -0.18 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1wh0 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wh0 h LEU 118 N 0.00 -1.61 -9.84 0.99 5.85 -1.97 -3.40 115.31 105.33 1wh0 h LEU 118 Ca 0.00 0.23 -0.51 0.00 0.84 0.00 0.00 57.88 58.44 1wh0 h LEU 118 Cb 0.00 0.69 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1wh0 h LEU 118 CO 0.00 -0.38 0.17 -1.61 -0.34 0.00 0.00 178.44 176.28 1wh0 s GLU 119 N -5.77 4.37 0.26 1.25 2.02 -1.26 -4.45 118.70 115.12 1wh0 s GLU 119 Ca -0.14 1.01 -0.13 0.00 0.02 0.00 0.00 54.97 55.72 1wh0 s GLU 119 Cb 0.11 -2.93 -0.08 0.00 0.10 0.00 0.00 34.13 31.33 1wh0 s GLU 119 CO 0.64 0.40 0.65 0.00 0.02 0.00 0.00 175.26 176.97 1wh0 s ALA 120 N -1.47 3.45 1.14 5.21 0.00 0.74 -4.91 121.76 125.92 1wh0 s ALA 120 Ca 0.43 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 1wh0 s ALA 120 Cb -0.18 -2.63 0.17 0.00 0.00 0.00 0.00 23.12 20.49 1wh0 s ALA 120 CO 0.22 0.41 0.62 -0.35 0.00 0.00 0.00 175.76 176.66 1wh0 n PRO 121 N -0.04 -2.24 -3.61 0.00 -0.04 -1.26 -4.91 135.00 122.90 1wh0 n PRO 121 Ca 0.01 -0.99 -0.08 0.00 -0.04 0.00 0.00 63.50 62.39 1wh0 n PRO 121 Cb 0.52 -0.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.99 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 -3.00 -2.00 0.53 0.55 0.00 -1.26 -5.13 121.76 111.45 1wh0 s ALA 122 Ca 0.40 1.73 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1wh0 s ALA 122 Cb -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1wh0 s ALA 122 CO 0.31 -0.25 0.02 0.00 0.00 0.00 0.00 175.76 175.83 1wh0 n ALA 123 N 1.35 0.46 -2.53 0.00 0.00 -1.26 -4.70 120.51 113.83 1wh0 n ALA 123 Ca -0.10 -2.37 -0.03 0.00 0.00 0.00 0.00 53.44 50.94 1wh0 n ALA 123 Cb 0.57 1.28 -0.01 0.00 0.00 0.00 0.00 19.45 21.30 1wh0 n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wh0 n ARG 124 N -1.33 -2.69 -1.68 0.00 1.74 -1.26 -4.68 116.66 106.76 1wh0 n ARG 124 Ca -0.21 0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.71 1wh0 n ARG 124 Cb 0.67 -4.22 -0.11 0.00 -1.02 0.00 0.00 32.46 27.78 1wh0 n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wh0 s VAL 125 N -1.97 3.11 0.00 1.55 -7.23 -1.26 -2.11 120.40 112.49 1wh0 s VAL 125 Ca 0.07 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 1wh0 s VAL 125 Cb -0.04 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.85 1wh0 s VAL 125 CO 0.08 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1wh0 n GLY 126 N 6.12 4.17 3.24 2.32 0.00 -1.26 -5.05 105.19 114.73 1wh0 n GLY 126 Ca 0.42 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1wh0 n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh0 s GLY 127 N 0.00 2.58 -0.02 -0.02 0.00 -0.90 -5.05 107.32 103.92 1wh0 s GLY 127 Ca 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 44.72 41.47 1wh0 s GLY 127 CO 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 173.10 174.24 1wh0 s ALA 128 N 0.12 3.04 -0.12 3.20 0.00 -1.26 -4.79 121.76 121.96 1wh0 s ALA 128 Ca 0.17 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 1wh0 s ALA 128 Cb -0.15 -1.19 -0.25 0.00 0.00 0.00 0.00 23.12 21.53 1wh0 s ALA 128 CO -0.06 0.61 0.86 1.03 0.00 0.00 0.00 175.76 178.19 1wh0 h SER 129 N 4.72 0.01 -4.48 0.00 0.87 -1.96 -3.46 113.55 109.24 1wh0 h SER 129 Ca -0.49 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.16 1wh0 h SER 129 Cb 1.17 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1wh0 h SER 129 CO 0.54 0.92 -0.92 0.61 -0.53 0.00 0.00 176.83 177.44 1wh0 n GLY 130 N 1.37 -5.18 0.00 5.77 0.00 -1.26 -3.94 105.19 101.95 1wh0 n GLY 130 Ca -0.10 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1wh0 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh0 n PRO 131 N 1.93 0.42 -0.12 1.61 -0.04 -1.26 -3.21 135.00 134.34 1wh0 n PRO 131 Ca 0.00 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 1wh0 n PRO 131 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1wh0 n PRO 131 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wh0 n SER 132 N -1.06 1.93 -3.64 3.54 3.41 -1.26 -5.06 113.62 111.48 1wh0 n SER 132 Ca 0.11 0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 59.00 1wh0 n SER 132 Cb 0.07 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 63.13 1wh0 n SER 132 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wh0 s SER 133 N -6.85 -0.39 0.00 4.04 1.04 -1.20 -5.27 113.70 105.08 1wh0 s SER 133 Ca -0.33 0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1wh0 s SER 133 Cb 0.10 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1wh0 s SER 133 CO 0.47 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.15