#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 -0.82 -3.91 1.61 2.88 -1.26 -4.71 113.62 107.41 1wh0 n SER 2 Ca 0.00 1.39 -0.12 0.00 -1.33 0.00 0.00 58.87 58.81 1wh0 n SER 2 Cb 0.00 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.21 1wh0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh0 s SER 3 N -5.39 0.26 0.00 -3.46 0.15 -1.26 -5.11 113.70 98.90 1wh0 s SER 3 Ca -0.09 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.32 1wh0 s SER 3 Cb 0.09 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wh0 s SER 3 CO 0.48 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1wh0 n GLY 4 N -0.38 1.46 0.08 9.45 0.00 -1.26 -5.09 105.19 109.44 1wh0 n GLY 4 Ca 0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1wh0 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wh0 h SER 5 N 0.00 0.00 -5.02 1.61 4.64 -1.99 -3.50 113.55 109.29 1wh0 h SER 5 Ca 0.00 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1wh0 h SER 5 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1wh0 h SER 5 CO 0.00 1.01 0.12 -0.44 -0.87 0.00 0.00 176.83 176.65 1wh0 s SER 6 N -6.16 -0.49 0.01 4.97 0.01 -1.26 -5.07 113.70 105.71 1wh0 s SER 6 Ca -0.19 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wh0 s SER 6 Cb 0.03 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1wh0 s SER 6 CO 0.37 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1wh0 n GLY 7 N -0.08 -0.58 3.83 3.44 0.00 -1.26 -5.15 105.19 105.40 1wh0 n GLY 7 Ca -0.17 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1wh0 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wh0 s VAL 8 N -2.00 1.95 -1.21 1.61 -7.23 -1.26 -4.96 120.40 107.30 1wh0 s VAL 8 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.03 1wh0 s VAL 8 Cb 0.00 -2.85 0.17 0.00 0.56 0.00 0.00 36.38 34.26 1wh0 s VAL 8 CO 0.00 0.00 1.44 -0.67 -0.31 0.00 0.00 175.10 175.56 1wh0 n ASP 9 N -3.78 5.23 -4.30 4.85 -0.08 -1.26 -5.01 116.55 112.19 1wh0 n ASP 9 Ca 0.10 -2.98 -0.37 0.00 -1.51 0.00 0.00 54.79 50.03 1wh0 n ASP 9 Cb 0.60 -1.57 0.04 0.00 2.34 0.00 0.00 41.12 42.53 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wh0 n GLU 10 N 5.57 0.15 0.00 -0.67 4.71 -1.26 -4.76 120.64 124.38 1wh0 n GLU 10 Ca 0.37 0.07 0.01 0.00 -0.01 0.00 0.00 57.16 57.60 1wh0 n GLU 10 Cb 0.43 -1.37 0.07 0.00 -1.01 0.00 0.00 31.44 29.55 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1wh0 n PRO 11 N 0.70 0.49 -0.28 3.49 -0.04 -1.26 -4.10 135.00 133.99 1wh0 n PRO 11 Ca 0.07 0.00 0.27 0.00 -0.04 0.00 0.00 63.50 63.80 1wh0 n PRO 11 Cb 0.50 -1.08 0.48 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.58 -0.04 -0.17 0.54 -0.00 -1.26 0.25 120.64 119.38 1wh0 n GLU 12 Ca 0.02 1.07 -0.08 0.00 -0.00 0.00 0.00 57.16 58.17 1wh0 n GLU 12 Cb 0.01 -1.96 0.01 0.00 -0.00 0.00 0.00 31.44 29.49 1wh0 n GLU 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1wh0 h SER 13 N 0.00 0.67 -4.21 -1.84 4.64 -1.95 -3.43 113.55 107.43 1wh0 h SER 13 Ca 0.68 -0.17 -0.48 0.00 -0.47 0.00 0.00 61.79 61.35 1wh0 h SER 13 Cb 1.88 -0.17 0.03 0.00 -0.31 0.00 0.00 62.40 63.83 1wh0 h SER 13 CO -0.56 0.65 0.37 -0.04 -0.87 0.00 0.00 176.83 176.38 1wh0 s MET 14 N -5.56 3.83 -0.06 4.77 -1.94 0.69 -4.98 119.30 116.05 1wh0 s MET 14 Ca -0.13 0.85 -0.20 0.00 -1.71 0.00 0.00 55.69 54.51 1wh0 s MET 14 Cb 0.11 -2.14 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 1wh0 s MET 14 CO 0.77 -0.35 0.55 0.08 -0.01 0.00 0.00 175.02 176.07 1wh0 s VAL 15 N -2.78 5.04 -0.22 -6.03 1.01 0.58 -4.94 120.40 113.06 1wh0 s VAL 15 Ca 0.57 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 1wh0 s VAL 15 Cb -0.10 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1wh0 s VAL 15 CO 0.38 0.37 0.03 0.54 0.00 0.00 0.00 175.10 176.43 1wh0 s ASN 16 N 0.21 5.00 0.23 3.32 2.20 -1.26 0.18 114.94 124.82 1wh0 s ASN 16 Ca 0.30 -0.19 -0.30 0.00 -0.94 0.00 0.00 52.86 51.72 1wh0 s ASN 16 Cb -0.17 -1.88 -0.09 0.00 -2.00 0.00 0.00 41.25 37.12 1wh0 s ASN 16 CO 0.14 0.02 1.04 -0.76 -2.94 0.00 0.00 177.10 174.61 1wh0 s LEU 17 N 1.27 4.56 -0.07 3.54 1.43 0.32 -4.81 118.68 124.92 1wh0 s LEU 17 Ca 0.04 2.10 0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1wh0 s LEU 17 Cb -0.15 -3.61 -0.24 0.00 0.03 0.00 0.00 46.19 42.23 1wh0 s LEU 17 CO 0.02 -0.06 0.55 0.00 0.23 0.00 0.00 176.35 177.09 1wh0 n ALA 18 N 1.67 1.41 -3.67 4.21 0.00 -1.26 -4.22 120.51 118.66 1wh0 n ALA 18 Ca -0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 1wh0 n ALA 18 Cb 0.46 -0.75 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.58 -0.29 -0.14 0.00 5.36 -1.26 -5.02 117.98 114.05 1wh0 s PHE 19 Ca -0.08 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 1wh0 s PHE 19 Cb 0.08 -0.16 -0.00 0.00 -0.34 0.00 0.00 43.02 42.59 1wh0 s PHE 19 CO 0.81 -0.31 -0.17 0.08 -1.46 0.00 0.00 175.22 174.18 1wh0 s VAL 20 N 2.33 2.61 -0.45 3.12 1.01 -1.26 -5.06 120.40 122.70 1wh0 s VAL 20 Ca 0.02 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 1wh0 s VAL 20 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1wh0 s VAL 20 CO -0.07 0.53 2.12 -0.75 0.00 0.00 0.00 175.10 176.92 1wh0 s LYS 21 N 0.64 2.64 0.26 2.72 2.36 -1.26 -4.90 119.74 122.19 1wh0 s LYS 21 Ca -0.09 1.30 -0.09 0.00 -2.55 0.00 0.00 55.97 54.55 1wh0 s LYS 21 Cb -0.16 -4.42 -0.01 0.00 -1.05 0.00 0.00 37.83 32.19 1wh0 s LYS 21 CO 0.03 -2.67 0.42 0.54 1.55 0.00 0.00 175.35 175.21 1wh0 s ASN 22 N 9.30 0.11 -0.05 1.43 2.20 -1.26 -0.26 114.94 126.41 1wh0 s ASN 22 Ca 0.87 -1.11 -0.02 0.00 -0.94 0.00 0.00 52.86 51.66 1wh0 s ASN 22 Cb -0.20 0.56 0.04 0.00 -2.00 0.00 0.00 41.25 39.65 1wh0 s ASN 22 CO 0.28 -1.12 0.09 -1.81 -2.94 0.00 0.00 177.10 171.60 1wh0 s ASP 23 N -3.08 0.46 -0.04 3.54 1.01 0.14 -4.92 116.67 113.78 1wh0 s ASP 23 Ca 0.27 0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.76 1wh0 s ASP 23 Cb 0.01 0.05 -0.02 0.00 1.01 0.00 0.00 42.92 43.96 1wh0 s ASP 23 CO 0.11 -0.19 -0.22 -0.94 0.21 0.00 0.00 175.17 174.14 1wh0 s SER 24 N 1.65 3.37 0.15 0.27 1.04 -1.26 0.53 113.70 119.46 1wh0 s SER 24 Ca -0.03 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1wh0 s SER 24 Cb -0.12 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 1wh0 s SER 24 CO -0.04 0.31 -0.19 -0.72 0.98 0.00 0.00 173.24 173.58 1wh0 s TYR 25 N -0.57 1.82 -0.47 5.02 -0.85 -0.82 -4.99 117.35 116.49 1wh0 s TYR 25 Ca 0.08 -0.46 -0.28 0.00 -0.52 0.00 0.00 57.07 55.89 1wh0 s TYR 25 Cb -0.11 -0.93 0.01 0.00 0.38 0.00 0.00 41.96 41.31 1wh0 s TYR 25 CO 0.00 0.30 1.49 -1.21 -1.52 0.00 0.00 175.55 174.61 1wh0 s GLU 26 N -2.57 3.39 0.12 -3.49 2.02 -1.26 -2.81 118.70 114.09 1wh0 s GLU 26 Ca 0.13 0.81 0.03 0.00 0.02 0.00 0.00 54.97 55.96 1wh0 s GLU 26 Cb -0.07 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1wh0 s GLU 26 CO 0.06 -1.81 0.13 0.21 0.02 0.00 0.00 175.26 173.87 1wh0 s LYS 27 N 5.37 3.00 0.00 1.61 2.20 0.21 -4.99 119.74 127.14 1wh0 s LYS 27 Ca 0.61 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1wh0 s LYS 27 Cb -0.14 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1wh0 s LYS 27 CO 0.29 0.53 0.00 0.41 -0.36 0.00 0.00 175.35 176.23 1wh0 n GLY 28 N 0.02 0.48 0.10 5.54 0.00 -1.26 -0.78 105.19 109.30 1wh0 n GLY 28 Ca -0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.37 132.00 128.26 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 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wh0 h PRO 29 CO 0.00 0.32 -0.18 -0.40 -0.23 0.00 0.00 178.00 177.52 1wh0 n ASP 30 N -4.92 1.48 -4.81 1.44 5.68 -1.25 -4.80 116.55 109.36 1wh0 n ASP 30 Ca -0.09 -2.64 -0.39 0.00 -0.50 0.00 0.00 54.79 51.18 1wh0 n ASP 30 Cb 0.25 -0.33 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 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 -2.12 7.05 -0.22 -1.12 0.01 0.04 -1.34 113.70 116.00 1wh0 s SER 31 Ca 0.19 1.24 -0.04 0.00 1.31 0.00 0.00 55.95 58.65 1wh0 s SER 31 Cb 0.17 -2.35 0.08 0.00 0.21 0.00 0.00 66.02 64.12 1wh0 s SER 31 CO 0.02 0.27 0.10 -0.69 0.41 0.00 0.00 173.24 173.36 1wh0 s VAL 32 N -1.12 -0.04 0.19 3.43 1.01 -0.77 0.66 120.40 123.77 1wh0 s VAL 32 Ca 0.29 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1wh0 s VAL 32 Cb -0.19 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1wh0 s VAL 32 CO 0.19 -0.46 0.67 -0.69 0.00 0.00 0.00 175.10 174.80 1wh0 s VAL 33 N 2.10 4.66 -0.06 2.92 1.01 -1.12 -0.58 120.40 129.32 1wh0 s VAL 33 Ca 0.05 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1wh0 s VAL 33 Cb -0.16 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1wh0 s VAL 33 CO -0.20 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.25 1wh0 s VAL 34 N -1.48 1.63 -0.36 2.92 1.01 -0.75 -1.94 120.40 121.41 1wh0 s VAL 34 Ca 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1wh0 s VAL 34 Cb -0.16 -1.41 0.10 0.00 0.00 0.00 0.00 36.38 34.91 1wh0 s VAL 34 CO 0.20 0.46 0.11 -1.00 0.00 0.00 0.00 175.10 174.88 1wh0 s HIS 35 N 0.18 3.60 -0.20 5.22 3.76 0.19 -2.59 115.29 125.45 1wh0 s HIS 35 Ca -0.09 -2.56 -0.19 0.00 -0.15 0.00 0.00 55.06 52.06 1wh0 s HIS 35 Cb -0.14 -2.92 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 1wh0 s HIS 35 CO 0.04 -0.94 0.57 0.08 -0.85 0.00 0.00 174.74 173.64 1wh0 s VAL 36 N 1.06 5.07 -0.61 -0.90 1.01 -0.63 0.24 120.40 125.64 1wh0 s VAL 36 Ca 0.07 1.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 1wh0 s VAL 36 Cb -0.21 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1wh0 s VAL 36 CO -0.05 0.15 1.33 -0.31 0.00 0.00 0.00 175.10 176.22 1wh0 s TYR 37 N 1.73 2.36 -0.23 5.22 1.51 0.64 -1.32 117.35 127.26 1wh0 s TYR 37 Ca 0.26 0.34 -0.28 0.00 -1.01 0.00 0.00 57.07 56.38 1wh0 s TYR 37 Cb -0.16 -4.48 0.15 0.00 -0.11 0.00 0.00 41.96 37.37 1wh0 s TYR 37 CO 0.10 -1.89 1.16 0.54 -1.11 0.00 0.00 175.55 174.35 1wh0 s VAL 38 N 5.74 0.00 0.39 0.71 0.11 -1.07 -4.80 120.40 121.49 1wh0 s VAL 38 Ca 0.46 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.56 1wh0 s VAL 38 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1wh0 s VAL 38 CO 0.22 0.00 0.20 0.29 -3.33 0.00 0.00 175.10 172.49 1wh0 n LYS 39 N 1.08 0.51 -3.93 1.54 5.02 -1.26 -3.12 118.16 118.00 1wh0 n LYS 39 Ca -0.08 -3.50 -0.31 0.00 -2.02 0.00 0.00 58.31 52.40 1wh0 n LYS 39 Cb 0.58 2.26 0.01 0.00 -0.02 0.00 0.00 35.03 37.86 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 -0.83 -4.92 -3.30 1.97 1.02 -1.26 -3.92 120.64 109.41 1wh0 n GLU 40 Ca -0.01 0.55 -0.30 0.00 -0.02 0.00 0.00 57.16 57.38 1wh0 n GLU 40 Cb 0.63 -5.40 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 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 4.94 -0.49 -3.67 1.01 -1.26 -1.96 121.20 116.50 1wh0 s ILE 41 Ca 0.67 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 61.51 1wh0 s ILE 41 Cb -0.34 -3.68 0.09 0.00 0.01 0.00 0.00 42.46 38.54 1wh0 s ILE 41 CO 0.82 -0.24 0.40 0.00 0.00 0.00 0.00 174.94 175.93 1wh0 n ARG 43 N 5.16 0.50 -0.01 0.00 1.74 -1.26 -0.96 116.66 121.82 1wh0 n ARG 43 Ca -0.12 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.80 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 -0.25 -1.52 0.00 0.00 177.63 175.86 1wh0 n ASP 44 N -1.01 1.63 -0.49 0.55 8.00 -1.26 -4.29 116.55 119.68 1wh0 n ASP 44 Ca 0.12 0.25 0.04 0.00 0.71 0.00 0.00 54.79 55.92 1wh0 n ASP 44 Cb 0.06 -0.51 0.12 0.00 -0.02 0.00 0.00 41.12 40.77 1wh0 n ASP 44 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wh0 n THR 45 N -3.30 1.00 -3.88 -3.53 -2.24 -1.00 -4.95 114.28 96.38 1wh0 n THR 45 Ca -0.28 -1.00 -0.35 0.00 -2.27 0.00 0.00 64.05 60.15 1wh0 n THR 45 Cb 1.05 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 69.65 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 4.47 0.36 3.42 0.01 -0.13 -4.54 113.70 116.30 1wh0 s SER 46 Ca 0.18 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.12 1wh0 s SER 46 Cb 0.09 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1wh0 s SER 46 CO 0.12 -0.02 0.14 0.00 0.41 0.00 0.00 173.24 173.89 1wh0 s ARG 47 N 1.51 1.79 -0.04 12.44 1.04 0.64 -4.79 118.95 131.54 1wh0 s ARG 47 Ca 0.06 -2.06 -0.01 0.00 -1.04 0.00 0.00 55.73 52.68 1wh0 s ARG 47 Cb -0.14 -0.44 0.03 0.00 -2.04 0.00 0.00 34.95 32.36 1wh0 s ARG 47 CO -0.02 -0.45 0.07 0.08 -0.04 0.00 0.00 175.30 174.94 1wh0 s VAL 48 N -3.35 -0.08 -0.40 4.99 1.01 -1.26 0.85 120.40 122.16 1wh0 s VAL 48 Ca 0.30 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1wh0 s VAL 48 Cb 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.32 1wh0 s VAL 48 CO 0.16 0.11 0.25 -0.76 0.00 0.00 0.00 175.10 174.86 1wh0 s LEU 49 N 1.36 4.97 -0.44 3.92 1.43 0.12 -4.98 118.68 125.06 1wh0 s LEU 49 Ca -0.06 -1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 51.66 1wh0 s LEU 49 Cb -0.12 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1wh0 s LEU 49 CO -0.04 -0.46 0.84 -0.36 0.23 0.00 0.00 176.35 176.56 1wh0 s PHE 50 N 1.55 2.98 0.53 0.29 0.08 -1.26 -0.03 117.98 122.12 1wh0 s PHE 50 Ca 0.03 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.37 1wh0 s PHE 50 Cb -0.21 -3.74 0.11 0.00 -0.57 0.00 0.00 43.02 38.61 1wh0 s PHE 50 CO 0.06 -0.99 0.72 0.54 -0.10 0.00 0.00 175.22 175.45 1wh0 n ARG 51 N 6.84 0.06 0.08 0.44 5.12 0.39 -4.68 116.66 124.91 1wh0 n ARG 51 Ca 0.04 -1.93 -0.23 0.00 -1.93 0.00 0.00 57.85 53.80 1wh0 n ARG 51 Cb 0.48 -0.49 -0.15 0.00 -1.16 0.00 0.00 32.46 31.14 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 -0.08 5.56 4.11 -1.96 -3.33 114.58 119.28 1wh0 h GLU 52 Ca -0.24 -0.68 -0.01 0.00 0.07 0.00 0.00 59.36 58.50 1wh0 h GLU 52 Cb 0.87 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1wh0 h GLU 52 CO 0.25 1.31 -0.03 0.94 0.07 0.00 0.00 179.01 181.56 1wh0 n GLN 53 N -3.59 1.73 -3.45 1.06 7.27 -1.26 0.10 117.38 119.24 1wh0 n GLN 53 Ca -0.23 -2.71 0.01 0.00 0.07 0.00 0.00 57.00 54.14 1wh0 n GLN 53 Cb 1.08 -1.60 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 -1.18 -1.06 -3.52 1.69 5.75 -1.26 -2.09 116.55 114.88 1wh0 n ASP 54 Ca 0.18 -1.36 -0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1wh0 n ASP 54 Cb 0.72 1.68 -0.03 0.00 -1.03 0.00 0.00 41.12 42.46 1wh0 n ASP 54 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1wh0 s PHE 55 N -2.49 -1.39 0.02 2.11 -0.12 -0.99 -0.46 117.98 114.66 1wh0 s PHE 55 Ca 0.22 2.13 -0.08 0.00 -0.05 0.00 0.00 56.93 59.14 1wh0 s PHE 55 Cb -0.01 0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 43.04 1wh0 s PHE 55 CO 0.01 -0.72 0.32 0.99 -0.05 0.00 0.00 175.22 175.77 1wh0 s THR 56 N 2.87 5.22 -0.24 -4.49 2.01 0.95 -2.43 115.64 119.53 1wh0 s THR 56 Ca 0.01 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1wh0 s THR 56 Cb -0.13 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.85 1wh0 s THR 56 CO -0.19 0.37 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.87 1wh0 s LEU 57 N -1.71 2.50 -0.30 4.42 2.96 0.15 0.13 118.68 126.83 1wh0 s LEU 57 Ca 0.28 -1.24 -0.10 0.00 -0.22 0.00 0.00 54.13 52.85 1wh0 s LEU 57 Cb -0.14 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1wh0 s LEU 57 CO 0.16 -0.27 0.17 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.44 4.87 -0.14 6.68 1.09 0.25 -0.72 121.20 134.68 1wh0 s ILE 58 Ca -0.03 -0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.17 1wh0 s ILE 58 Cb -0.18 -3.41 0.04 0.00 -1.06 0.00 0.00 42.46 37.84 1wh0 s ILE 58 CO -0.08 0.14 0.43 0.72 -0.10 0.00 0.00 174.94 176.05 1wh0 s PHE 59 N 1.67 -0.45 -0.39 3.97 -0.12 -0.71 0.23 117.98 122.19 1wh0 s PHE 59 Ca 0.06 1.04 -0.09 0.00 -0.05 0.00 0.00 56.93 57.88 1wh0 s PHE 59 Cb -0.17 0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1wh0 s PHE 59 CO 0.08 -0.28 0.21 -0.65 -0.05 0.00 0.00 175.22 174.53 1wh0 s GLN 60 N -0.08 2.68 -0.01 1.99 -0.21 -1.26 -3.20 119.66 119.57 1wh0 s GLN 60 Ca -0.03 -1.28 -0.06 0.00 0.02 0.00 0.00 55.36 54.01 1wh0 s GLN 60 Cb -0.03 -3.70 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 1wh0 s GLN 60 CO 0.02 -0.81 0.25 -0.08 -2.12 0.00 0.00 175.29 172.54 1wh0 s THR 61 N 1.46 5.34 -0.06 -0.19 -1.32 -1.26 -2.42 115.64 117.19 1wh0 s THR 61 Ca 0.02 0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.73 1wh0 s THR 61 Cb -0.21 -3.55 0.13 0.00 -1.51 0.00 0.00 72.50 67.36 1wh0 s THR 61 CO 0.04 0.40 1.07 -2.11 -2.21 0.00 0.00 174.62 171.80 1wh0 n ARG 62 N 1.22 2.27 -2.50 7.08 1.85 -0.83 -4.24 116.66 121.52 1wh0 n ARG 62 Ca -0.12 -1.96 -0.43 0.00 -1.00 0.00 0.00 57.85 54.33 1wh0 n ARG 62 Cb 0.53 -1.21 -0.02 0.00 -1.05 0.00 0.00 32.46 30.70 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 -1.80 6.63 0.64 2.89 -1.08 -1.25 -4.87 116.67 117.83 1wh0 s ASP 63 Ca 0.14 0.89 0.22 0.00 -0.52 0.00 0.00 52.55 53.27 1wh0 s ASP 63 Cb 0.12 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 40.14 1wh0 s ASP 63 CO 0.01 -1.17 1.61 1.23 0.52 0.00 0.00 175.17 177.37 1wh0 h GLY 64 N 11.12 0.00 1.28 2.66 0.00 -1.94 0.56 103.07 116.75 1wh0 h GLY 64 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.85 1wh0 h GLY 64 CO 1.07 0.00 -0.91 3.43 0.00 0.00 0.00 176.54 180.13 1wh0 h ASN 65 N 0.00 0.84 0.49 0.19 2.35 -1.99 -1.97 115.58 115.49 1wh0 h ASN 65 Ca 0.11 -0.62 -0.30 0.00 -0.55 0.00 0.00 56.30 54.94 1wh0 h ASN 65 Cb 1.39 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 1wh0 h ASN 65 CO -0.00 1.41 -1.48 0.15 -1.65 0.00 0.00 177.43 175.87 1wh0 h PHE 66 N 0.42 0.45 0.12 1.19 3.04 -0.38 -3.35 116.94 118.43 1wh0 h PHE 66 Ca -0.09 -0.33 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 1wh0 h PHE 66 Cb 1.55 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.04 1wh0 h PHE 66 CO 0.09 1.36 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.60 1wh0 h LEU 67 N 0.07 -0.14 -1.00 0.59 3.38 -0.99 -3.07 115.31 114.15 1wh0 h LEU 67 Ca -0.22 -0.28 0.35 0.00 0.09 0.00 0.00 57.88 57.83 1wh0 h LEU 67 Cb 2.01 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 42.63 1wh0 h LEU 67 CO 0.17 0.21 0.54 0.08 0.09 0.00 0.00 178.44 179.53 1wh0 h ARG 68 N -0.51 0.19 -0.85 1.13 0.11 -1.51 0.82 114.38 113.76 1wh0 h ARG 68 Ca -0.02 -0.01 0.04 0.00 0.10 0.00 0.00 59.98 60.09 1wh0 h ARG 68 Cb 0.41 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 31.39 1wh0 h ARG 68 CO 0.03 0.13 0.54 -0.07 0.10 0.00 0.00 179.97 180.70 1wh0 h LEU 69 N 0.20 0.88 -7.78 0.08 3.38 -1.66 -3.33 115.31 107.09 1wh0 h LEU 69 Ca 0.77 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 58.01 1wh0 h LEU 69 Cb 1.86 -0.19 -0.31 0.00 0.09 0.00 0.00 40.66 42.11 1wh0 h LEU 69 CO -0.67 0.59 -0.25 -1.00 0.09 0.00 0.00 178.44 177.20 1wh0 s HIS 70 N -6.09 3.51 0.60 1.13 3.76 0.29 -5.08 115.29 113.41 1wh0 s HIS 70 Ca -0.13 -2.22 -0.17 0.00 -0.15 0.00 0.00 55.06 52.39 1wh0 s HIS 70 Cb 0.18 -3.48 -0.03 0.00 1.11 0.00 0.00 32.58 30.36 1wh0 s HIS 70 CO 0.79 -0.94 1.12 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.51 3.10 0.00 8.40 0.04 -1.25 -3.39 135.00 142.41 1wh0 s PRO 71 Ca 0.13 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1wh0 s PRO 71 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wh0 s PRO 71 CO -0.04 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1wh0 n GLY 72 N -0.15 1.95 3.75 0.56 0.00 -1.26 -4.93 105.19 105.10 1wh0 n GLY 72 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 3.92 0.25 0.00 0.00 -1.26 -4.98 105.19 101.86 1wh0 n GLY 74 Ca -0.01 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.38 1.61 0.13 -1.92 -2.44 132.00 129.00 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 0.15 0.00 -2.39 -0.23 0.00 0.00 178.00 175.53 1wh0 n HIS 76 N -3.35 0.50 -3.26 1.56 1.44 -1.26 -4.63 115.22 106.22 1wh0 n HIS 76 Ca -0.00 -0.25 -0.42 0.00 -2.01 0.00 0.00 57.72 55.04 1wh0 n HIS 76 Cb 0.36 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.50 5.02 0.09 0.61 2.01 -0.92 -5.04 115.64 115.92 1wh0 s THR 77 Ca 0.36 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.16 1wh0 s THR 77 Cb 0.20 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 1wh0 s THR 77 CO 0.28 -0.31 1.52 -0.89 -0.69 0.00 0.00 174.62 174.53 1wh0 s THR 78 N 2.35 3.12 -0.12 -0.82 2.01 -1.26 -4.72 115.64 116.20 1wh0 s THR 78 Ca 0.17 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.85 1wh0 s THR 78 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1wh0 s THR 78 CO 0.14 0.03 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.70 1wh0 s PHE 79 N 1.80 3.02 -0.20 4.92 0.08 -1.19 -0.31 117.98 126.10 1wh0 s PHE 79 Ca 0.69 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.59 1wh0 s PHE 79 Cb -0.39 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1wh0 s PHE 79 CO 0.30 0.12 -0.09 0.50 -0.10 0.00 0.00 175.22 175.96 1wh0 s ARG 80 N -0.10 1.91 -0.51 0.44 3.52 0.47 -1.73 118.95 122.95 1wh0 s ARG 80 Ca 0.02 -0.84 -0.14 0.00 -0.13 0.00 0.00 55.73 54.64 1wh0 s ARG 80 Cb -0.13 -2.41 0.12 0.00 -1.56 0.00 0.00 34.95 30.97 1wh0 s ARG 80 CO 0.03 -0.45 0.45 -0.46 -0.81 0.00 0.00 175.30 174.05 1wh0 s TRP 81 N 1.41 3.30 -0.29 5.12 -0.00 0.11 0.12 118.94 128.71 1wh0 s TRP 81 Ca -0.02 -1.42 -0.14 0.00 -0.00 0.00 0.00 56.10 54.52 1wh0 s TRP 81 Cb -0.17 -3.65 -0.04 0.00 -0.00 0.00 0.00 33.47 29.62 1wh0 s TRP 81 CO -0.08 -0.99 0.32 -1.14 -0.00 0.00 0.00 176.95 175.06 1wh0 s GLN 82 N 1.54 3.91 -0.11 5.86 0.74 -1.26 -0.67 119.66 129.66 1wh0 s GLN 82 Ca 0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.29 1wh0 s GLN 82 Cb -0.28 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 1wh0 s GLN 82 CO 0.02 -0.30 -0.05 0.08 -0.55 0.00 0.00 175.29 174.49 1wh0 s VAL 83 N 1.98 3.80 -0.23 1.34 1.01 -1.02 -5.00 120.40 122.27 1wh0 s VAL 83 Ca 0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1wh0 s VAL 83 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1wh0 s VAL 83 CO 0.11 0.55 0.28 -0.75 0.00 0.00 0.00 175.10 175.28 1wh0 s LYS 84 N -0.25 4.09 -0.41 2.72 2.47 -1.26 -2.34 119.74 124.76 1wh0 s LYS 84 Ca 0.04 -0.06 -0.12 0.00 -1.56 0.00 0.00 55.97 54.26 1wh0 s LYS 84 Cb -0.13 -3.56 0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1wh0 s LYS 84 CO 0.02 -0.04 0.27 -0.51 0.16 0.00 0.00 175.35 175.26 1wh0 s LEU 85 N 1.34 5.07 0.04 5.43 1.43 -0.89 -1.27 118.68 129.83 1wh0 s LEU 85 Ca 0.13 -1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 1wh0 s LEU 85 Cb -0.14 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1wh0 s LEU 85 CO 0.07 -0.48 0.84 0.54 0.23 0.00 0.00 176.35 177.55 1wh0 n ARG 86 N 5.06 -0.12 -2.07 1.70 5.12 -1.26 -4.47 116.66 120.62 1wh0 n ARG 86 Ca -0.11 0.83 -0.29 0.00 -1.93 0.00 0.00 57.85 56.35 1wh0 n ARG 86 Cb 0.45 -1.24 0.18 0.00 -1.16 0.00 0.00 32.46 30.70 1wh0 n ARG 86 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1wh0 s ASN 87 N -3.89 3.22 0.43 0.55 0.01 -1.26 -5.07 114.94 108.93 1wh0 s ASN 87 Ca -0.03 0.08 -0.06 0.00 -0.71 0.00 0.00 52.86 52.14 1wh0 s ASN 87 Cb 0.03 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.51 1wh0 s ASN 87 CO 0.16 -2.64 0.73 -0.76 -1.51 0.00 0.00 177.10 173.08 1wh0 s LEU 88 N -5.77 3.76 0.00 0.60 1.43 -1.26 -4.76 118.68 112.67 1wh0 s LEU 88 Ca 0.74 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1wh0 s LEU 88 Cb -0.03 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1wh0 s LEU 88 CO 0.52 -0.47 0.20 2.30 0.23 0.00 0.00 176.35 179.13 1wh0 n ILE 89 N -1.85 0.00 -3.95 -0.59 -5.35 0.12 -3.55 119.36 104.18 1wh0 n ILE 89 Ca 0.00 -1.92 -0.30 0.00 -0.27 0.00 0.00 62.75 60.26 1wh0 n ILE 89 Cb 0.55 0.90 -0.14 0.00 -1.74 0.00 0.00 39.64 39.21 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 -3.11 1.80 0.20 6.28 8.01 -0.45 -4.73 118.70 126.69 1wh0 s GLU 90 Ca 0.28 -2.38 0.21 0.00 0.01 0.00 0.00 54.97 53.09 1wh0 s GLU 90 Cb 0.01 -3.23 0.89 0.00 -4.31 0.00 0.00 34.13 27.50 1wh0 s GLU 90 CO 0.20 -1.07 1.65 -0.35 0.01 0.00 0.00 175.26 175.70 1wh0 n PRO 91 N 3.45 0.15 0.27 0.39 -0.04 -1.25 -2.44 135.00 135.52 1wh0 n PRO 91 Ca 0.05 0.39 0.17 0.00 -0.04 0.00 0.00 63.50 64.06 1wh0 n PRO 91 Cb 0.35 -1.79 0.67 0.00 -0.04 0.00 0.00 33.50 32.69 1wh0 n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wh0 h GLU 92 N 0.00 0.00 0.00 0.54 5.08 -1.91 -2.94 114.58 115.35 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 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1wh0 h GLU 92 CO 0.00 0.00 -0.68 1.04 -1.00 0.00 0.00 179.01 178.37 1wh0 n GLN 93 N -3.06 3.04 -0.62 2.33 6.02 -1.02 -5.03 117.38 119.04 1wh0 n GLN 93 Ca 0.01 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 1wh0 n GLN 93 Cb 0.31 -1.01 0.19 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 -2.58 0.03 -0.09 0.00 -4.23 -0.87 -4.98 115.64 102.92 1wh0 s THR 95 Ca 0.67 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 1wh0 s THR 95 Cb -0.24 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 73.05 1wh0 s THR 95 CO 0.60 -0.13 -0.03 0.72 -0.54 0.00 0.00 174.62 175.25 1wh0 s PHE 96 N -0.59 0.98 -0.13 3.99 -0.12 -1.26 -0.95 117.98 119.90 1wh0 s PHE 96 Ca -0.07 -0.38 -0.08 0.00 -0.05 0.00 0.00 56.93 56.35 1wh0 s PHE 96 Cb -0.04 -0.96 0.05 0.00 -0.63 0.00 0.00 43.02 41.44 1wh0 s PHE 96 CO 0.03 -0.40 0.31 0.00 -0.05 0.00 0.00 175.22 175.11 1wh0 s PHE 98 N 1.04 3.03 0.06 0.00 0.40 -1.26 -0.52 117.98 120.72 1wh0 s PHE 98 Ca -0.07 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1wh0 s PHE 98 Cb -0.08 -2.95 -0.00 0.00 0.51 0.00 0.00 43.02 40.50 1wh0 s PHE 98 CO -0.08 -1.19 0.01 0.25 0.70 0.00 0.00 175.22 174.92 1wh0 n THR 99 N -2.56 0.00 0.00 0.64 -2.24 0.42 -4.77 114.28 105.78 1wh0 n THR 99 Ca 0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1wh0 n THR 99 Cb 0.53 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.76 0.00 -1.43 6.98 0.00 -1.26 -3.69 120.51 118.35 1wh0 n ALA 100 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1wh0 n ALA 100 Cb 0.08 0.30 0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.53 1.74 -3.86 0.00 3.41 -1.26 -4.87 113.62 107.24 1wh0 n SER 101 Ca 0.00 -3.02 -0.10 0.00 -0.26 0.00 0.00 58.87 55.49 1wh0 n SER 101 Cb 0.00 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.31 1.19 -0.11 4.33 1.70 -1.18 -2.59 118.95 119.99 1wh0 s ARG 102 Ca 0.28 -1.03 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 1wh0 s ARG 102 Cb 0.26 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 1wh0 s ARG 102 CO -0.01 -0.46 -0.01 0.42 -1.08 0.00 0.00 175.30 174.16 1wh0 s ILE 103 N -3.92 4.16 -0.17 4.99 1.01 -0.44 0.16 121.20 127.00 1wh0 s ILE 103 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 1wh0 s ILE 103 Cb 0.02 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1wh0 s ILE 103 CO -0.03 0.57 -0.02 -0.62 0.00 0.00 0.00 174.94 174.84 1wh0 s ASP 104 N -0.50 4.89 -0.16 3.58 -1.08 0.32 -1.60 116.67 122.11 1wh0 s ASP 104 Ca 0.08 -0.12 -0.03 0.00 -0.52 0.00 0.00 52.55 51.96 1wh0 s ASP 104 Cb -0.12 -1.81 0.05 0.00 -1.46 0.00 0.00 42.92 39.59 1wh0 s ASP 104 CO 0.02 0.15 0.05 -0.63 0.52 0.00 0.00 175.17 175.29 1wh0 s ILE 105 N 0.47 0.23 -0.30 4.11 1.01 -1.07 -0.95 121.20 124.69 1wh0 s ILE 105 Ca -0.02 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 1wh0 s ILE 105 Cb -0.14 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1wh0 s ILE 105 CO 0.02 -0.16 0.70 0.00 0.00 0.00 0.00 174.94 175.50 1wh0 s LEU 107 N 2.75 3.46 -0.11 0.00 1.43 0.25 -2.06 118.68 124.41 1wh0 s LEU 107 Ca 0.28 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1wh0 s LEU 107 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1wh0 s LEU 107 CO 0.12 -0.10 0.54 -0.60 0.23 0.00 0.00 176.35 176.54 1wh0 s ARG 108 N 1.52 4.36 0.60 1.70 6.06 -1.26 -1.85 118.95 130.09 1wh0 s ARG 108 Ca 0.04 0.57 -0.06 0.00 -2.50 0.00 0.00 55.73 53.79 1wh0 s ARG 108 Cb -0.16 -3.44 0.02 0.00 0.06 0.00 0.00 34.95 31.43 1wh0 s ARG 108 CO 0.01 0.12 0.91 0.15 -2.50 0.00 0.00 175.30 173.99 1wh0 s LYS 109 N 0.71 2.81 0.00 5.12 1.02 -0.45 -1.34 119.74 127.62 1wh0 s LYS 109 Ca 0.29 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1wh0 s LYS 109 Cb -0.16 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1wh0 s LYS 109 CO 0.12 -0.76 0.01 0.54 -0.92 0.00 0.00 175.35 174.34 1wh0 n ARG 110 N -2.61 0.00 -1.56 1.68 1.74 -1.23 -4.44 116.66 110.24 1wh0 n ARG 110 Ca 0.05 0.24 -0.36 0.00 -0.77 0.00 0.00 57.85 57.01 1wh0 n ARG 110 Cb 0.58 -0.75 0.06 0.00 -1.02 0.00 0.00 32.46 31.33 1wh0 n ARG 110 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wh0 n GLN 111 N -1.23 2.76 -3.72 5.56 1.13 -1.26 -4.88 117.38 115.73 1wh0 n GLN 111 Ca 0.00 -3.41 -0.25 0.00 -1.94 0.00 0.00 57.00 51.40 1wh0 n GLN 111 Cb 0.00 -2.28 -0.06 0.00 0.11 0.00 0.00 30.24 28.00 1wh0 n GLN 111 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1wh0 n SER 112 N -0.79 -0.08 -4.49 1.08 2.88 -1.26 -4.88 113.62 106.09 1wh0 n SER 112 Ca 0.59 -0.89 -0.33 0.00 -1.33 0.00 0.00 58.87 56.91 1wh0 n SER 112 Cb 0.54 -1.12 -0.13 0.00 -0.75 0.00 0.00 64.21 62.75 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 -5.81 2.73 0.57 -1.46 0.00 -1.26 -4.89 119.66 109.53 1wh0 s GLN 113 Ca 0.23 -0.65 -0.13 0.00 -0.00 0.00 0.00 55.36 54.80 1wh0 s GLN 113 Cb -0.13 -2.48 -0.06 0.00 0.00 0.00 0.00 33.01 30.34 1wh0 s GLN 113 CO 0.71 0.56 1.00 -0.98 0.00 0.00 0.00 175.29 176.58 1wh0 s ARG 114 N -0.56 3.76 -0.02 9.60 3.03 -1.26 -4.92 118.95 128.59 1wh0 s ARG 114 Ca 0.08 0.83 0.04 0.00 2.03 0.00 0.00 55.73 58.71 1wh0 s ARG 114 Cb -0.12 -2.11 -0.07 0.00 -1.03 0.00 0.00 34.95 31.62 1wh0 s ARG 114 CO 0.02 -0.42 0.08 0.91 -1.13 0.00 0.00 175.30 174.75 1wh0 n TRP 115 N -2.18 0.00 0.00 5.89 8.01 -1.26 -5.01 117.44 122.89 1wh0 n TRP 115 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 1wh0 n TRP 115 Cb 0.54 -0.14 0.00 0.00 -2.01 0.00 0.00 31.31 29.70 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 2.38 1.82 3.45 6.99 0.00 -1.26 -4.97 105.19 113.60 1wh0 n GLY 116 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.03 -0.83 0.26 -0.02 0.00 -1.26 -5.03 107.32 98.41 1wh0 s GLY 117 Ca 0.00 2.16 -0.02 0.00 0.00 0.00 0.00 44.72 46.86 1wh0 s GLY 117 CO 0.00 3.19 1.78 -2.00 0.00 0.00 0.00 173.10 176.07 1wh0 h LEU 118 N 8.00 0.60 -9.69 0.66 5.85 -1.93 -3.41 115.31 115.38 1wh0 h LEU 118 Ca -0.20 0.08 -0.66 0.00 0.84 0.00 0.00 57.88 57.94 1wh0 h LEU 118 Cb 1.12 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1wh0 h LEU 118 CO 0.16 0.28 -0.49 -1.61 -0.34 0.00 0.00 178.44 176.44 1wh0 s GLU 119 N -5.99 3.41 0.26 1.25 8.01 -1.23 -3.86 118.70 120.55 1wh0 s GLU 119 Ca -0.12 -0.23 -0.30 0.00 0.01 0.00 0.00 54.97 54.34 1wh0 s GLU 119 Cb 0.21 -3.13 -0.09 0.00 -4.31 0.00 0.00 34.13 26.81 1wh0 s GLU 119 CO 0.78 0.73 1.23 0.00 0.01 0.00 0.00 175.26 178.01 1wh0 s ALA 120 N -1.15 3.47 1.13 5.21 0.00 -0.39 -4.86 121.76 125.17 1wh0 s ALA 120 Ca 0.20 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 1wh0 s ALA 120 Cb -0.12 -3.43 0.16 0.00 0.00 0.00 0.00 23.12 19.73 1wh0 s ALA 120 CO 0.10 -0.43 0.56 -0.35 0.00 0.00 0.00 175.76 175.64 1wh0 n PRO 121 N 1.70 -2.12 -3.13 0.00 -0.04 -1.26 -4.50 135.00 125.64 1wh0 n PRO 121 Ca 0.02 -0.90 -0.14 0.00 -0.04 0.00 0.00 63.50 62.44 1wh0 n PRO 121 Cb 0.43 -0.84 0.05 0.00 -0.04 0.00 0.00 33.50 33.10 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 -3.96 -0.91 -3.81 0.55 0.00 -1.26 -5.03 120.51 106.09 1wh0 n ALA 122 Ca -0.11 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 1wh0 n ALA 122 Cb 0.30 -3.29 -0.17 0.00 0.00 0.00 0.00 19.45 16.29 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 -3.21 0.96 -0.72 0.00 0.00 -1.26 -5.09 121.76 112.43 1wh0 s ALA 123 Ca 0.30 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.70 1wh0 s ALA 123 Cb -0.13 -0.88 0.12 0.00 0.00 0.00 0.00 23.12 22.22 1wh0 s ALA 123 CO 0.46 -0.59 0.88 1.03 0.00 0.00 0.00 175.76 177.54 1wh0 s ARG 124 N 1.87 3.27 -0.23 0.00 0.52 -1.26 -5.02 118.95 118.09 1wh0 s ARG 124 Ca 0.04 -1.47 -0.09 0.00 -0.52 0.00 0.00 55.73 53.68 1wh0 s ARG 124 Cb -0.13 -4.46 -0.04 0.00 0.52 0.00 0.00 34.95 30.84 1wh0 s ARG 124 CO -0.07 -1.63 0.12 0.14 0.02 0.00 0.00 175.30 173.88 1wh0 s VAL 125 N 2.68 5.04 0.00 3.52 -7.23 -1.26 -4.67 120.40 118.49 1wh0 s VAL 125 Ca 0.20 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1wh0 s VAL 125 Cb -0.16 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1wh0 s VAL 125 CO 0.01 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 1wh0 n GLY 126 N 4.30 1.03 3.58 2.32 0.00 -1.26 -5.06 105.19 110.10 1wh0 n GLY 126 Ca -0.15 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.47 -0.31 -0.02 0.00 -1.26 -4.83 107.32 100.42 1wh0 s GLY 127 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1wh0 s GLY 127 CO 0.00 3.92 0.08 0.00 0.00 0.00 0.00 173.10 177.10 1wh0 s ALA 128 N 13.81 1.89 -0.08 3.20 0.00 -1.26 -5.11 121.76 134.21 1wh0 s ALA 128 Ca 0.76 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1wh0 s ALA 128 Cb -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1wh0 s ALA 128 CO 0.13 -1.65 -0.07 0.45 0.00 0.00 0.00 175.76 174.62 1wh0 s SER 129 N 1.43 4.67 0.44 0.00 0.15 -1.26 -5.10 113.70 114.03 1wh0 s SER 129 Ca 0.10 -0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.47 1wh0 s SER 129 Cb -0.18 -1.23 -0.08 0.00 -1.71 0.00 0.00 66.02 62.82 1wh0 s SER 129 CO -0.20 0.35 1.31 -0.83 1.20 0.00 0.00 173.24 175.06 1wh0 s GLY 130 N -0.71 2.90 0.00 9.45 0.00 -1.26 -4.88 107.32 112.82 1wh0 s GLY 130 Ca 0.11 1.24 0.15 0.00 0.00 0.00 0.00 44.72 46.22 1wh0 s GLY 130 CO 0.02 1.80 1.36 -1.55 0.00 0.00 0.00 173.10 174.73 1wh0 n PRO 131 N -0.17 0.38 -3.80 2.90 -0.04 -1.26 -4.87 135.00 128.14 1wh0 n PRO 131 Ca 0.05 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 1wh0 n PRO 131 Cb 0.44 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.11 -1.38 -4.24 3.54 3.41 -1.26 -4.90 113.62 107.68 1wh0 n SER 132 Ca 0.10 -0.87 -0.34 0.00 -0.26 0.00 0.00 58.87 57.50 1wh0 n SER 132 Cb 0.08 -3.74 0.10 0.00 -0.26 0.00 0.00 64.21 60.39 1wh0 n SER 132 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wh0 n SER 133 N -3.00 -3.19 0.00 4.04 7.64 -1.26 -5.28 113.62 112.57 1wh0 n SER 133 Ca -0.26 0.15 0.12 0.00 1.01 0.00 0.00 58.87 59.90 1wh0 n SER 133 Cb 0.66 -0.96 0.74 0.00 -1.01 0.00 0.00 64.21 63.63 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64