#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd s SER 2 N 0.00 3.39 0.00 1.61 0.01 -1.26 -4.93 113.70 112.52 1ujd s SER 2 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1ujd s SER 2 Cb 0.00 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1ujd s SER 2 CO 0.00 -0.08 0.00 -1.20 0.41 0.00 0.00 173.24 172.37 1ujd n SER 3 N 4.62 0.00 -2.61 2.44 7.64 -1.26 -4.79 113.62 119.66 1ujd n SER 3 Ca -0.18 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.66 1ujd n SER 3 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1ujd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 4 N 0.00 -2.27 3.48 0.23 0.00 -1.26 -4.82 105.19 100.54 1ujd n GLY 4 Ca 0.00 0.82 -0.55 0.00 0.00 0.00 0.00 46.02 46.29 1ujd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujd n SER 5 N 0.01 -0.26 -4.29 1.61 7.64 -1.26 -4.86 113.62 112.20 1ujd n SER 5 Ca 0.07 1.15 -0.45 0.00 1.01 0.00 0.00 58.87 60.64 1ujd n SER 5 Cb 0.25 -0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 1ujd n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujd s SER 6 N -0.30 6.51 0.02 6.43 0.01 -1.26 -5.03 113.70 120.08 1ujd s SER 6 Ca 0.81 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 55.32 1ujd s SER 6 Cb -1.13 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 62.95 1ujd s SER 6 CO 0.56 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1ujd n GLY 7 N 3.84 1.59 0.05 3.44 0.00 -1.26 -5.11 105.19 107.74 1ujd n GLY 7 Ca 0.13 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1ujd n GLY 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ujd n HIS 8 N -0.16 0.00 -4.64 1.61 -0.00 -1.26 -5.10 115.22 105.66 1ujd n HIS 8 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1ujd n HIS 8 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 1ujd n HIS 8 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1ujd s TYR 9 N -0.15 2.26 0.36 1.57 2.02 -1.26 -5.02 117.35 117.12 1ujd s TYR 9 Ca 0.00 -0.78 0.04 0.00 -0.37 0.00 0.00 57.07 55.96 1ujd s TYR 9 Cb 0.00 -1.73 0.68 0.00 -0.40 0.00 0.00 41.96 40.51 1ujd s TYR 9 CO 0.00 0.34 2.00 -0.84 -1.57 0.00 0.00 175.55 175.48 1ujd h ILE 10 N 1.58 1.12 -2.96 2.71 3.07 -2.06 -3.42 117.51 117.54 1ujd h ILE 10 Ca -0.44 -0.28 -0.47 0.00 1.55 0.00 0.00 64.86 65.22 1ujd h ILE 10 Cb 1.27 0.23 0.02 0.00 -0.27 0.00 0.00 36.82 38.08 1ujd h ILE 10 CO 0.78 0.15 -0.09 0.72 -1.05 0.00 0.00 178.15 178.66 1ujd s PHE 11 N -5.70 3.41 0.24 0.16 -0.12 -1.26 -5.06 117.98 109.65 1ujd s PHE 11 Ca -0.10 0.41 -0.30 0.00 -0.05 0.00 0.00 56.93 56.89 1ujd s PHE 11 Cb 0.18 -2.14 -0.09 0.00 -0.63 0.00 0.00 43.02 40.34 1ujd s PHE 11 CO 0.76 -0.15 1.09 -1.25 -0.05 0.00 0.00 175.22 175.62 1ujd s PRO 12 N -4.50 4.64 0.20 1.99 0.04 -1.26 -4.91 135.00 131.19 1ujd s PRO 12 Ca 0.45 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1ujd s PRO 12 Cb -0.10 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1ujd s PRO 12 CO 0.39 0.18 0.18 -3.38 0.04 0.00 0.00 177.00 174.41 1ujd s HIS 13 N -0.84 0.95 -0.26 0.56 -3.43 -1.26 -0.99 115.29 110.01 1ujd s HIS 13 Ca 0.46 -1.22 0.02 0.00 -0.80 0.00 0.00 55.06 53.52 1ujd s HIS 13 Cb -0.31 -0.41 0.07 0.00 -1.43 0.00 0.00 32.58 30.50 1ujd s HIS 13 CO 0.38 -0.68 -0.07 0.00 -2.00 0.00 0.00 174.74 172.38 1ujd s ALA 14 N -4.11 2.40 -0.60 -1.38 0.00 -0.41 -4.68 121.76 112.98 1ujd s ALA 14 Ca 0.33 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 1ujd s ALA 14 Cb 0.06 -1.59 0.14 0.00 0.00 0.00 0.00 23.12 21.73 1ujd s ALA 14 CO 0.09 -1.28 0.57 0.50 0.00 0.00 0.00 175.76 175.65 1ujd s ARG 15 N 1.18 3.11 0.13 0.00 3.52 -1.26 -3.47 118.95 122.16 1ujd s ARG 15 Ca -0.05 -1.82 0.07 0.00 -0.13 0.00 0.00 55.73 53.80 1ujd s ARG 15 Cb -0.19 -4.33 -0.04 0.00 -1.56 0.00 0.00 34.95 28.83 1ujd s ARG 15 CO -0.06 -1.34 -0.16 0.42 -0.81 0.00 0.00 175.30 173.34 1ujd s ILE 16 N 1.43 1.51 -0.17 4.11 -1.09 -1.24 -5.07 121.20 120.67 1ujd s ILE 16 Ca 0.07 -1.74 -0.03 0.00 -2.23 0.00 0.00 60.65 56.72 1ujd s ILE 16 Cb -0.26 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.00 1ujd s ILE 16 CO 0.01 -0.34 -0.06 -0.75 -1.23 0.00 0.00 174.94 172.57 1ujd s LYS 17 N -2.58 3.52 -0.29 2.79 2.36 -1.26 -3.02 119.74 121.25 1ujd s LYS 17 Ca 0.10 -0.59 -0.22 0.00 -2.55 0.00 0.00 55.97 52.71 1ujd s LYS 17 Cb -0.06 -2.87 -0.01 0.00 -1.05 0.00 0.00 37.83 33.85 1ujd s LYS 17 CO 0.04 0.12 0.72 0.42 1.55 0.00 0.00 175.35 178.20 1ujd s ILE 18 N 0.65 4.87 -0.14 5.43 1.01 0.37 -4.94 121.20 128.45 1ujd s ILE 18 Ca -0.04 1.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.68 1ujd s ILE 18 Cb -0.15 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ujd s ILE 18 CO 0.02 -0.15 0.00 0.42 0.00 0.00 0.00 174.94 175.23 1ujd s THR 19 N 2.76 4.29 -0.25 2.92 -4.23 -1.26 -0.71 115.64 119.16 1ujd s THR 19 Ca 0.29 -0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.28 1ujd s THR 19 Cb -0.15 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1ujd s THR 19 CO 0.11 0.52 1.53 -0.60 -0.54 0.00 0.00 174.62 175.64 1ujd s ARG 20 N -0.05 3.81 0.15 3.99 3.52 -1.26 -4.67 118.95 124.43 1ujd s ARG 20 Ca 0.04 1.52 -0.31 0.00 -0.13 0.00 0.00 55.73 56.84 1ujd s ARG 20 Cb -0.13 -4.00 -0.10 0.00 -1.56 0.00 0.00 34.95 29.17 1ujd s ARG 20 CO 0.02 -1.27 1.64 0.34 -0.81 0.00 0.00 175.30 175.22 1ujd s ASP 21 N 3.88 6.53 -0.62 -2.12 2.15 -1.26 -3.39 116.67 121.84 1ujd s ASP 21 Ca 0.67 2.65 -0.13 0.00 0.43 0.00 0.00 52.55 56.17 1ujd s ASP 21 Cb -0.22 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.83 1ujd s ASP 21 CO 0.28 -0.89 0.64 -1.20 -0.17 0.00 0.00 175.17 173.83 1ujd n SER 22 N 4.51 -6.53 -4.56 -0.34 7.64 -1.26 -4.70 113.62 108.37 1ujd n SER 22 Ca 0.15 -0.18 -0.20 0.00 1.01 0.00 0.00 58.87 59.65 1ujd n SER 22 Cb 0.38 -3.53 -0.06 0.00 -1.01 0.00 0.00 64.21 59.99 1ujd n SER 22 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ujd s LYS 23 N -3.28 2.05 0.27 1.43 2.20 -1.22 -4.91 119.74 116.27 1ujd s LYS 23 Ca 0.15 0.15 -0.24 0.00 -0.36 0.00 0.00 55.97 55.67 1ujd s LYS 23 Cb -0.03 -4.90 -0.09 0.00 -1.51 0.00 0.00 37.83 31.30 1ujd s LYS 23 CO 0.82 -3.94 0.85 0.34 -0.36 0.00 0.00 175.35 173.07 1ujd s ASP 24 N 9.57 7.26 -0.77 1.43 2.15 -1.26 -4.97 116.67 130.08 1ujd s ASP 24 Ca 0.82 1.68 -0.26 0.00 0.43 0.00 0.00 52.55 55.22 1ujd s ASP 24 Cb -0.10 -2.52 -0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1ujd s ASP 24 CO 0.04 0.00 1.67 -1.00 -0.17 0.00 0.00 175.17 175.71 1ujd s HIS 25 N -1.52 1.99 0.03 -5.34 3.76 -1.26 -4.93 115.29 108.01 1ujd s HIS 25 Ca 0.46 0.28 0.02 0.00 -0.15 0.00 0.00 55.06 55.67 1ujd s HIS 25 Cb -0.19 -4.31 -0.02 0.00 1.11 0.00 0.00 32.58 29.17 1ujd s HIS 25 CO 0.23 -2.07 -0.06 0.99 -0.85 0.00 0.00 174.74 172.98 1ujd s THR 26 N 7.81 0.45 0.55 1.30 2.01 -1.26 -5.13 115.64 121.36 1ujd s THR 26 Ca 0.56 -0.84 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1ujd s THR 26 Cb -0.08 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1ujd s THR 26 CO 0.10 -0.27 1.34 0.52 -0.69 0.00 0.00 174.62 175.61 1ujd n VAL 27 N 1.86 3.83 -1.24 3.82 0.31 -1.26 -4.71 118.33 120.94 1ujd n VAL 27 Ca -0.20 -0.50 -0.59 0.00 -0.01 0.00 0.00 64.34 63.04 1ujd n VAL 27 Cb 0.56 -1.64 -0.12 0.00 -0.91 0.00 0.00 33.84 31.73 1ujd n VAL 27 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ujd n SER 28 N -0.98 0.75 0.00 4.52 2.88 -1.26 -4.68 113.62 114.85 1ujd n SER 28 Ca 0.11 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1ujd n SER 28 Cb 0.45 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1ujd n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 29 N 7.28 1.93 3.54 0.46 0.00 -1.26 -5.16 105.19 111.97 1ujd n GLY 29 Ca 0.53 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1ujd n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ujd s ASN 30 N 1.22 3.99 0.00 1.61 2.47 -1.26 -5.09 114.94 117.88 1ujd s ASN 30 Ca 0.00 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 52.47 1ujd s ASN 30 Cb 0.00 -0.54 0.00 0.00 -1.45 0.00 0.00 41.25 39.26 1ujd s ASN 30 CO 0.00 0.05 0.00 0.61 -3.72 0.00 0.00 177.10 174.04 1ujd n GLY 31 N -0.50 0.87 5.00 1.21 0.00 -1.26 -5.02 105.19 105.50 1ujd n GLY 31 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1ujd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ujd n LEU 32 N 0.00 0.00 -1.55 0.99 4.32 -1.26 -4.49 117.00 115.00 1ujd n LEU 32 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ujd n LEU 32 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ujd n LEU 32 CO 0.00 0.00 0.01 0.61 -1.22 0.00 0.00 177.39 176.79 1ujd n GLY 33 N 0.00 -0.28 3.28 -0.72 0.00 -1.26 -0.31 105.19 105.90 1ujd n GLY 33 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1ujd n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ujd s ILE 34 N -3.00 -0.12 -0.23 -0.61 2.07 -1.26 -3.46 121.20 114.59 1ujd s ILE 34 Ca 0.00 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.32 1ujd s ILE 34 Cb -0.00 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.98 1ujd s ILE 34 CO 0.03 0.04 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.91 1ujd s ARG 35 N 1.59 3.07 -0.10 3.50 1.81 -1.22 -5.07 118.95 122.52 1ujd s ARG 35 Ca -0.08 -0.82 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 1ujd s ARG 35 Cb -0.09 -2.97 -0.00 0.00 -0.45 0.00 0.00 34.95 31.44 1ujd s ARG 35 CO -0.13 -0.31 -0.24 0.42 -0.68 0.00 0.00 175.30 174.37 1ujd s ILE 36 N 1.39 2.07 -0.26 1.52 1.01 -1.26 0.39 121.20 126.07 1ujd s ILE 36 Ca 0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1ujd s ILE 36 Cb -0.15 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1ujd s ILE 36 CO -0.05 0.56 0.13 -0.69 0.00 0.00 0.00 174.94 174.90 1ujd s VAL 37 N 0.35 4.92 0.52 2.92 1.01 0.85 -4.79 120.40 126.19 1ujd s VAL 37 Ca -0.19 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1ujd s VAL 37 Cb -0.18 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1ujd s VAL 37 CO 0.09 0.31 0.72 0.61 0.00 0.00 0.00 175.10 176.83 1ujd n GLY 38 N 4.78 0.89 3.90 4.51 0.00 -1.26 -1.48 105.19 116.53 1ujd n GLY 38 Ca -0.15 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1ujd n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujd n GLY 39 N -0.63 -0.72 3.09 -0.02 0.00 -0.18 -3.89 105.19 102.84 1ujd n GLY 39 Ca 0.12 0.34 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 1ujd n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ujd s LYS 40 N -6.62 1.18 0.25 1.61 2.47 -0.54 -4.82 119.74 113.27 1ujd s LYS 40 Ca 0.34 -0.48 -0.31 0.00 -1.56 0.00 0.00 55.97 53.97 1ujd s LYS 40 Cb -0.15 -1.11 -0.11 0.00 -1.46 0.00 0.00 37.83 35.00 1ujd s LYS 40 CO 0.91 0.26 1.56 -2.00 0.16 0.00 0.00 175.35 176.24 1ujd s GLU 41 N -0.20 4.18 -0.01 4.03 2.12 -1.26 -0.63 118.70 126.93 1ujd s GLU 41 Ca 0.03 2.46 -0.14 0.00 0.36 0.00 0.00 54.97 57.68 1ujd s GLU 41 Cb -0.07 -3.08 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 1ujd s GLU 41 CO -0.00 -0.58 0.39 0.42 -0.54 0.00 0.00 175.26 174.95 1ujd s ILE 42 N 0.35 5.05 -0.04 -3.70 1.01 -0.59 -4.89 121.20 118.40 1ujd s ILE 42 Ca 0.65 0.81 -0.06 0.00 0.00 0.00 0.00 60.65 62.04 1ujd s ILE 42 Cb -0.46 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1ujd s ILE 42 CO 0.42 0.58 0.35 1.55 0.00 0.00 0.00 174.94 177.84 1ujd h PRO 43 N 4.72 -0.22 -0.96 2.79 0.13 -1.91 -3.35 132.00 133.20 1ujd h PRO 43 Ca -0.52 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 64.80 1ujd h PRO 43 Cb 1.22 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.23 1ujd h PRO 43 CO 0.61 -0.15 -0.31 0.78 -0.23 0.00 0.00 178.00 178.70 1ujd h GLY 44 N -0.73 0.39 -0.92 1.56 0.00 -1.96 -3.40 103.07 98.03 1ujd h GLY 44 Ca -0.02 0.41 -0.46 0.00 0.00 0.00 0.00 47.33 47.26 1ujd h GLY 44 CO 0.04 -0.29 0.21 0.30 0.00 0.00 0.00 176.54 176.80 1ujd s HIS 45 N -6.11 2.15 -0.17 5.60 3.76 -1.26 -5.01 115.29 114.26 1ujd s HIS 45 Ca -0.14 1.02 -0.19 0.00 -0.15 0.00 0.00 55.06 55.60 1ujd s HIS 45 Cb 0.23 -3.25 -0.16 0.00 1.11 0.00 0.00 32.58 30.51 1ujd s HIS 45 CO 0.75 -2.80 0.25 1.03 -0.85 0.00 0.00 174.74 173.11 1ujd h SER 46 N -1.83 0.00 -1.65 1.40 0.87 -1.81 -3.46 113.55 107.07 1ujd h SER 46 Ca -0.54 -0.47 -0.25 0.00 -1.23 0.00 0.00 61.79 59.31 1ujd h SER 46 Cb 1.32 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 63.01 1ujd h SER 46 CO 0.57 1.12 -0.59 -0.83 -0.53 0.00 0.00 176.83 176.58 1ujd s GLY 47 N -4.44 -0.47 -0.27 5.77 0.00 -1.26 -4.98 107.32 101.66 1ujd s GLY 47 Ca -0.21 -0.39 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 1ujd s GLY 47 CO 0.48 3.05 0.77 1.85 0.00 0.00 0.00 173.10 179.25 1ujd s GLU 48 N 1.80 0.77 -0.07 2.90 2.56 -1.26 -5.07 118.70 120.34 1ujd s GLU 48 Ca 0.15 0.94 -0.11 0.00 0.00 0.00 0.00 54.97 55.95 1ujd s GLU 48 Cb -0.12 0.37 -0.05 0.00 2.00 0.00 0.00 34.13 36.33 1ujd s GLU 48 CO -0.11 -0.10 0.27 0.96 -0.56 0.00 0.00 175.26 175.73 1ujd s ILE 49 N 0.42 5.28 0.00 -3.70 -4.36 -1.26 -1.54 121.20 116.05 1ujd s ILE 49 Ca -0.00 0.51 0.00 0.00 -0.26 0.00 0.00 60.65 60.90 1ujd s ILE 49 Cb -0.05 -3.55 0.00 0.00 1.25 0.00 0.00 42.46 40.11 1ujd s ILE 49 CO -0.01 0.59 0.00 0.61 0.24 0.00 0.00 174.94 176.37 1ujd n GLY 50 N 1.98 4.66 3.15 6.27 0.00 0.19 -1.03 105.19 120.42 1ujd n GLY 50 Ca -0.17 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 1ujd n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujd s ALA 51 N -1.75 1.25 0.01 4.61 0.00 -1.19 -1.01 121.76 123.68 1ujd s ALA 51 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1ujd s ALA 51 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1ujd s ALA 51 CO 0.00 0.25 0.21 1.52 0.00 0.00 0.00 175.76 177.74 1ujd s TYR 52 N -0.78 -0.01 -0.42 0.00 1.13 -0.55 0.16 117.35 116.87 1ujd s TYR 52 Ca 0.03 -0.09 -0.28 0.00 -1.41 0.00 0.00 57.07 55.32 1ujd s TYR 52 Cb -0.08 0.00 -0.00 0.00 -1.10 0.00 0.00 41.96 40.78 1ujd s TYR 52 CO 0.01 -0.38 1.61 0.42 -2.51 0.00 0.00 175.55 174.71 1ujd s ILE 53 N -1.86 3.66 0.10 -3.49 1.01 0.26 -0.10 121.20 120.78 1ujd s ILE 53 Ca -0.10 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 60.89 1ujd s ILE 53 Cb -0.04 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 1ujd s ILE 53 CO 0.00 -0.70 1.63 0.00 0.00 0.00 0.00 174.94 175.87 1ujd h ALA 54 N 12.07 -0.63 -2.97 9.38 0.00 -0.38 0.04 119.26 136.77 1ujd h ALA 54 Ca -0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ujd h ALA 54 Cb 1.13 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1ujd h ALA 54 CO 1.09 -0.89 0.14 -1.59 0.00 0.00 0.00 179.25 178.01 1ujd s LYS 55 N -6.03 2.00 0.15 0.00 0.00 -1.21 -4.05 119.74 110.59 1ujd s LYS 55 Ca -0.16 -1.36 0.09 0.00 0.00 0.00 0.00 55.97 54.54 1ujd s LYS 55 Cb 0.06 0.58 -0.04 0.00 0.00 0.00 0.00 37.83 38.43 1ujd s LYS 55 CO 0.64 -0.90 -0.14 0.42 0.00 0.00 0.00 175.35 175.37 1ujd s ILE 56 N -3.03 3.03 0.47 3.79 1.01 -1.26 -3.44 121.20 121.78 1ujd s ILE 56 Ca 0.17 -1.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.10 1ujd s ILE 56 Cb -0.04 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.91 1ujd s ILE 56 CO 0.11 -0.00 0.91 -0.76 0.00 0.00 0.00 174.94 175.20 1ujd s LEU 57 N -2.48 3.71 -0.62 2.97 2.01 -1.22 -4.98 118.68 118.08 1ujd s LEU 57 Ca 0.22 1.44 -0.27 0.00 0.01 0.00 0.00 54.13 55.53 1ujd s LEU 57 Cb -0.10 -4.35 0.01 0.00 0.01 0.00 0.00 46.19 41.75 1ujd s LEU 57 CO 0.13 -0.51 1.53 -2.16 1.01 0.00 0.00 176.35 176.35 1ujd s PRO 58 N -3.92 3.06 -0.45 1.29 0.04 -1.26 -3.15 135.00 130.61 1ujd s PRO 58 Ca 0.57 0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 1ujd s PRO 58 Cb -0.10 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1ujd s PRO 58 CO 0.30 -2.24 0.39 0.41 0.04 0.00 0.00 177.00 175.89 1ujd n GLY 59 N 5.43 0.33 1.58 0.56 0.00 -1.26 -5.05 105.19 106.78 1ujd n GLY 59 Ca 0.13 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1ujd n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujd n GLY 60 N -1.03 1.37 0.25 -0.02 0.00 -1.19 -4.93 105.19 99.65 1ujd n GLY 60 Ca -0.04 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 1ujd n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujd h SER 61 N -0.09 0.99 -0.32 1.61 0.02 -0.91 -0.79 113.55 114.06 1ujd h SER 61 Ca -0.12 -0.52 -0.08 0.00 -0.84 0.00 0.00 61.79 60.23 1ujd h SER 61 Cb 0.50 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1ujd h SER 61 CO 0.15 1.32 -0.05 0.00 -1.14 0.00 0.00 176.83 177.11 1ujd h ALA 62 N 0.70 1.13 -0.02 3.77 0.00 -1.76 -2.21 119.26 120.87 1ujd h ALA 62 Ca 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1ujd h ALA 62 Cb 1.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1ujd h ALA 62 CO 0.12 0.55 -0.63 1.49 0.00 0.00 0.00 179.25 180.78 1ujd h GLU 63 N 0.65 0.06 0.35 0.00 4.81 -1.80 -3.24 114.58 115.42 1ujd h GLU 63 Ca 0.12 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ujd h GLU 63 Cb 0.48 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1ujd h GLU 63 CO 0.02 0.67 -0.32 1.96 -0.73 0.00 0.00 179.01 180.61 1ujd h GLN 64 N 0.04 -0.67 -0.99 1.92 4.20 -0.51 -2.93 115.11 116.18 1ujd h GLN 64 Ca -0.01 0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1ujd h GLN 64 Cb 1.12 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 28.94 1ujd h GLN 64 CO 0.09 -0.45 -0.58 0.25 -0.67 0.00 0.00 178.83 177.47 1ujd n THR 65 N -5.44 -0.67 0.00 -0.54 -2.24 -1.11 -4.80 114.28 99.47 1ujd n THR 65 Ca -0.10 2.41 0.00 0.00 -2.27 0.00 0.00 64.05 64.09 1ujd n THR 65 Cb 0.34 -2.98 0.00 0.00 -2.10 0.00 0.00 70.33 65.60 1ujd n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujd n GLY 66 N -1.25 1.42 0.09 3.38 0.00 -1.11 -4.84 105.19 102.88 1ujd n GLY 66 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1ujd n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujd h LYS 67 N 3.10 0.00 -7.27 1.61 1.79 -1.87 -3.46 116.57 110.47 1ujd h LYS 67 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1ujd h LYS 67 Cb 0.00 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.72 1ujd h LYS 67 CO 0.00 0.49 0.38 -0.51 -1.08 0.00 0.00 179.45 178.73 1ujd s LEU 68 N -6.10 3.32 -0.03 2.94 2.01 -1.26 -5.07 118.68 114.49 1ujd s LEU 68 Ca -0.02 1.68 -0.12 0.00 0.01 0.00 0.00 54.13 55.68 1ujd s LEU 68 Cb 0.08 -4.51 0.02 0.00 0.01 0.00 0.00 46.19 41.79 1ujd s LEU 68 CO 0.81 -1.24 0.26 -0.04 1.01 0.00 0.00 176.35 177.15 1ujd s MET 69 N -4.58 0.55 0.61 1.70 -1.94 -1.26 -5.00 119.30 109.37 1ujd s MET 69 Ca 0.60 -0.13 -0.18 0.00 -1.71 0.00 0.00 55.69 54.28 1ujd s MET 69 Cb -0.14 0.24 -0.03 0.00 2.01 0.00 0.00 34.83 36.91 1ujd s MET 69 CO 0.46 -0.13 1.17 -1.21 -0.01 0.00 0.00 175.02 175.29 1ujd s GLU 70 N -1.03 2.93 -0.94 2.03 2.02 -1.26 -3.24 118.70 119.21 1ujd s GLU 70 Ca -0.11 1.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.54 1ujd s GLU 70 Cb -0.05 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1ujd s GLU 70 CO 0.03 -1.20 0.19 0.41 0.02 0.00 0.00 175.26 174.70 1ujd n GLY 71 N 0.20 -0.05 3.76 -1.39 0.00 -0.00 -4.82 105.19 102.88 1ujd n GLY 71 Ca 0.12 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1ujd n GLY 71 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ujd s MET 72 N -4.91 3.31 -0.20 1.61 -1.94 -1.20 0.12 119.30 116.09 1ujd s MET 72 Ca 0.09 -0.28 -0.24 0.00 -1.71 0.00 0.00 55.69 53.55 1ujd s MET 72 Cb -0.04 -3.01 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 1ujd s MET 72 CO 0.11 0.67 0.77 -1.14 -0.01 0.00 0.00 175.02 175.43 1ujd s GLN 73 N -0.77 4.23 -0.28 2.03 0.74 -1.26 0.92 119.66 125.28 1ujd s GLN 73 Ca 0.13 0.87 -0.19 0.00 0.05 0.00 0.00 55.36 56.21 1ujd s GLN 73 Cb -0.12 -3.60 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 1ujd s GLN 73 CO 0.03 -0.36 0.58 0.08 -0.55 0.00 0.00 175.29 175.07 1ujd s VAL 74 N 2.30 5.00 -0.07 1.34 1.01 0.43 -2.03 120.40 128.38 1ujd s VAL 74 Ca 0.34 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 63.00 1ujd s VAL 74 Cb -0.16 -3.92 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 1ujd s VAL 74 CO 0.10 -0.01 0.94 -0.07 0.00 0.00 0.00 175.10 176.06 1ujd h LEU 75 N 8.95 -0.06 -8.02 3.92 3.38 0.91 -3.35 115.31 121.04 1ujd h LEU 75 Ca -0.28 -0.59 -0.11 0.00 0.09 0.00 0.00 57.88 57.00 1ujd h LEU 75 Cb 1.13 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1ujd h LEU 75 CO 0.76 0.61 -0.43 -1.61 0.09 0.00 0.00 178.44 177.86 1ujd s GLU 76 N -3.25 0.91 -0.12 1.13 2.02 0.33 -2.39 118.70 117.32 1ujd s GLU 76 Ca -0.15 -1.11 -0.02 0.00 0.02 0.00 0.00 54.97 53.71 1ujd s GLU 76 Cb -0.00 0.32 0.04 0.00 0.10 0.00 0.00 34.13 34.59 1ujd s GLU 76 CO 0.59 -0.29 0.02 -0.46 0.02 0.00 0.00 175.26 175.14 1ujd s TRP 77 N -3.92 0.75 -1.62 1.61 -0.11 0.19 0.19 118.94 116.02 1ujd s TRP 77 Ca 0.11 -0.42 -0.00 0.00 1.22 0.00 0.00 56.10 57.00 1ujd s TRP 77 Cb 0.05 -0.87 0.00 0.00 -1.50 0.00 0.00 33.47 31.15 1ujd s TRP 77 CO -0.06 -0.44 0.02 0.09 -4.62 0.00 0.00 176.95 171.93 1ujd n ASN 78 N 5.13 -5.50 0.00 5.86 3.02 0.21 -1.53 115.26 122.44 1ujd n ASN 78 Ca -0.08 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1ujd n ASN 78 Cb 0.49 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujd n GLY 79 N -0.99 2.77 3.69 7.41 0.00 -1.26 -5.01 105.19 111.80 1ujd n GLY 79 Ca -0.22 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 1ujd n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ujd n ILE 80 N 0.00 0.34 -2.53 -0.61 -0.00 -0.59 -4.90 119.36 111.07 1ujd n ILE 80 Ca 0.00 -0.06 -0.36 0.00 -0.00 0.00 0.00 62.75 62.33 1ujd n ILE 80 Cb 0.00 -1.99 -0.04 0.00 -0.00 0.00 0.00 39.64 37.61 1ujd n ILE 80 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1ujd s PRO 81 N 2.62 4.11 -0.21 0.38 0.04 -1.26 0.55 135.00 141.23 1ujd s PRO 81 Ca 0.83 1.50 0.14 0.00 0.04 0.00 0.00 61.00 63.51 1ujd s PRO 81 Cb -0.55 -2.49 0.44 0.00 0.04 0.00 0.00 34.50 31.95 1ujd s PRO 81 CO 0.39 -0.19 1.33 1.28 0.04 0.00 0.00 177.00 179.86 1ujd n LEU 82 N -0.19 3.37 -4.77 -3.56 4.77 -1.01 -4.87 117.00 110.75 1ujd n LEU 82 Ca 0.06 -3.43 -0.36 0.00 -0.03 0.00 0.00 56.01 52.25 1ujd n LEU 82 Cb 0.50 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1ujd n LEU 82 CO 0.44 0.99 -0.23 -0.89 -1.33 0.00 0.00 177.39 176.37 1ujd s THR 83 N -3.05 4.95 -1.17 -5.08 2.01 -1.26 -3.16 115.64 108.89 1ujd s THR 83 Ca 0.40 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 1ujd s THR 83 Cb 0.35 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1ujd s THR 83 CO 0.02 0.59 0.04 -0.24 -0.69 0.00 0.00 174.62 174.34 1ujd n SER 84 N 2.27 -4.30 0.00 3.53 2.88 -0.20 -4.99 113.62 112.81 1ujd n SER 84 Ca -0.19 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1ujd n SER 84 Cb 0.54 -3.44 0.00 0.00 -0.75 0.00 0.00 64.21 60.56 1ujd n SER 84 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujd n LYS 85 N -2.39 3.87 -4.02 -1.46 4.76 -1.26 -5.08 118.16 112.59 1ujd n LYS 85 Ca -0.16 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.19 1ujd n LYS 85 Cb 0.62 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.70 1ujd n LYS 85 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ujd s THR 86 N 1.81 0.21 0.14 -0.18 -4.23 -1.26 -4.12 115.64 108.00 1ujd s THR 86 Ca 0.00 -1.12 -0.26 0.00 -1.18 0.00 0.00 61.69 59.13 1ujd s THR 86 Cb 0.00 -0.57 -0.06 0.00 1.34 0.00 0.00 72.50 73.21 1ujd s THR 86 CO 0.00 -0.58 1.32 0.00 -0.54 0.00 0.00 174.62 174.82 1ujd n TYR 87 N 1.27 -0.38 -0.01 3.99 4.19 -1.25 -0.98 117.16 124.00 1ujd n TYR 87 Ca -0.22 1.07 -0.03 0.00 3.31 0.00 0.00 57.90 62.03 1ujd n TYR 87 Cb 0.56 -0.57 -0.02 0.00 0.49 0.00 0.00 39.34 39.80 1ujd n TYR 87 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1ujd h GLU 88 N 0.00 -0.11 0.00 2.98 5.08 -1.97 0.18 114.58 120.74 1ujd h GLU 88 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ujd h GLU 88 Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ujd h GLU 88 CO -0.80 -0.08 0.00 0.39 -1.00 0.00 0.00 179.01 177.52 1ujd n GLU 89 N -3.20 0.00 -0.34 2.33 1.02 -0.39 0.19 120.64 120.25 1ujd n GLU 89 Ca -0.01 0.84 0.15 0.00 -0.02 0.00 0.00 57.16 58.12 1ujd n GLU 89 Cb 0.08 -1.30 0.30 0.00 -0.02 0.00 0.00 31.44 30.49 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ujd n VAL 90 N -2.56 -0.41 0.07 2.62 0.31 -0.15 0.11 118.33 118.33 1ujd n VAL 90 Ca 0.00 2.14 -0.13 0.00 -0.01 0.00 0.00 64.34 66.34 1ujd n VAL 90 Cb 0.00 -3.14 -0.08 0.00 -0.91 0.00 0.00 33.84 29.71 1ujd n VAL 90 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ujd h GLN 91 N 0.00 -0.11 -0.23 5.55 -0.00 0.34 0.40 115.11 121.06 1ujd h GLN 91 Ca 0.60 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 59.32 1ujd h GLN 91 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.74 1ujd h GLN 91 CO -0.91 0.05 0.17 1.03 0.00 0.00 0.00 178.83 179.17 1ujd h SER 92 N -0.25 0.00 0.17 -0.69 0.87 0.97 1.65 113.55 116.27 1ujd h SER 92 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ujd h SER 92 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ujd h SER 92 CO 0.02 0.00 -0.08 0.40 -0.53 0.00 0.00 176.83 176.64 1ujd h ILE 93 N 0.00 0.01 -0.29 2.23 2.04 0.96 -3.29 117.51 119.18 1ujd h ILE 93 Ca 0.11 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1ujd h ILE 93 Cb 0.45 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ujd h ILE 93 CO -0.00 0.00 0.19 0.16 0.00 0.00 0.00 178.15 178.51 1ujd h ILE 94 N -1.06 0.98 -4.13 -0.67 3.07 0.15 -3.42 117.51 112.43 1ujd h ILE 94 Ca -0.02 -0.08 -0.52 0.00 1.55 0.00 0.00 64.86 65.79 1ujd h ILE 94 Cb 0.18 0.73 0.11 0.00 -0.27 0.00 0.00 36.82 37.57 1ujd h ILE 94 CO 0.04 0.04 0.43 -0.55 -1.05 0.00 0.00 178.15 177.06 1ujd s SER 95 N -6.71 5.12 0.70 2.16 0.15 0.56 -4.78 113.70 110.90 1ujd s SER 95 Ca -0.06 2.25 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1ujd s SER 95 Cb 0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1ujd s SER 95 CO 0.71 -1.63 0.00 1.67 1.20 0.00 0.00 173.24 175.19 1ujd n GLN 96 N -1.89 0.00 -2.61 5.44 7.27 -1.26 -4.88 117.38 119.44 1ujd n GLN 96 Ca 0.12 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.15 1ujd n GLN 96 Cb 0.50 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.17 1ujd n GLN 96 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1ujd n GLN 97 N -0.07 -1.70 -0.25 3.69 -0.06 -1.26 -4.85 117.38 112.88 1ujd n GLN 97 Ca 0.00 0.19 0.03 0.00 -2.00 0.00 0.00 57.00 55.22 1ujd n GLN 97 Cb 0.00 -3.26 -0.01 0.00 -4.06 0.00 0.00 30.24 22.91 1ujd n GLN 97 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1ujd n SER 98 N -0.17 -5.61 0.00 1.69 7.64 -1.26 -4.58 113.62 111.33 1ujd n SER 98 Ca -0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1ujd n SER 98 Cb 0.52 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 99 N -0.74 -1.27 3.14 0.23 0.00 -1.26 -4.84 105.19 100.45 1ujd n GLY 99 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ujd n GLU 100 N -0.36 -0.34 -3.59 1.61 0.00 -1.26 -4.73 120.64 111.97 1ujd n GLU 100 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 57.16 57.03 1ujd n GLU 100 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 31.44 30.11 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ujd s ALA 101 N -2.13 -2.04 -0.08 -1.84 0.00 0.11 -4.95 121.76 110.83 1ujd s ALA 101 Ca 0.46 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.69 1ujd s ALA 101 Cb -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ujd s ALA 101 CO 0.72 -0.72 -0.12 -1.21 0.00 0.00 0.00 175.76 174.44 1ujd s GLU 102 N -2.58 2.87 0.03 0.00 2.02 -1.26 -0.48 118.70 119.31 1ujd s GLU 102 Ca 0.10 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.49 1ujd s GLU 102 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 1ujd s GLU 102 CO -0.05 0.49 -0.17 -1.50 0.02 0.00 0.00 175.26 174.05 1ujd s ILE 103 N -0.37 1.36 -0.37 -1.63 2.07 -1.17 0.63 121.20 121.73 1ujd s ILE 103 Ca 0.04 -1.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.30 1ujd s ILE 103 Cb -0.12 -1.19 0.11 0.00 0.13 0.00 0.00 42.46 41.38 1ujd s ILE 103 CO 0.02 0.16 0.11 0.00 -1.91 0.00 0.00 174.94 173.33 1ujd s VAL 105 N 0.86 3.19 0.21 0.00 0.11 -1.23 0.14 120.40 123.68 1ujd s VAL 105 Ca 0.12 -1.71 -0.07 0.00 -2.93 0.00 0.00 61.98 57.39 1ujd s VAL 105 Cb -0.20 -2.98 -0.06 0.00 -1.53 0.00 0.00 36.38 31.60 1ujd s VAL 105 CO -0.11 -0.23 0.49 -0.60 -3.33 0.00 0.00 175.10 171.33 1ujd s ARG 106 N -3.82 3.71 0.00 1.54 3.52 -0.86 -1.29 118.95 121.75 1ujd s ARG 106 Ca 0.36 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1ujd s ARG 106 Cb -0.04 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1ujd s ARG 106 CO 0.22 0.36 0.14 1.28 -0.81 0.00 0.00 175.30 176.50 1ujd n LEU 107 N -0.17 1.72 -4.56 -0.88 4.77 -0.16 -4.52 117.00 113.21 1ujd n LEU 107 Ca -0.01 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 1ujd n LEU 107 Cb 0.52 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1ujd n LEU 107 CO 0.47 -0.13 1.41 -0.62 -1.33 0.00 0.00 177.39 177.19 1ujd s ASP 108 N -1.62 5.51 -0.30 -1.43 2.15 -1.26 -4.79 116.67 114.93 1ujd s ASP 108 Ca 0.00 -0.60 -0.18 0.00 0.43 0.00 0.00 52.55 52.20 1ujd s ASP 108 Cb 0.00 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.27 1ujd s ASP 108 CO 0.00 -2.36 1.30 -0.22 -0.17 0.00 0.00 175.17 173.73 1ujd s LEU 109 N 8.54 -0.02 0.21 -1.34 1.98 -1.26 -5.03 118.68 121.75 1ujd s LEU 109 Ca 0.62 0.03 0.11 0.00 -2.89 0.00 0.00 54.13 52.00 1ujd s LEU 109 Cb -0.07 1.03 -0.04 0.00 0.66 0.00 0.00 46.19 47.77 1ujd s LEU 109 CO 0.03 -0.00 -0.18 0.54 -1.89 0.00 0.00 176.35 174.85 1ujd s ASN 110 N 1.55 3.76 -0.23 3.68 4.22 -1.26 -4.47 114.94 122.19 1ujd s ASN 110 Ca -0.03 -0.79 -0.03 0.00 -2.14 0.00 0.00 52.86 49.87 1ujd s ASN 110 Cb -0.01 -0.43 0.13 0.00 1.28 0.00 0.00 41.25 42.21 1ujd s ASN 110 CO -0.13 0.10 0.37 -0.04 -2.04 0.00 0.00 177.10 175.36 1ujd s MET 111 N -2.89 0.33 0.08 3.55 -1.94 0.32 -4.74 119.30 114.01 1ujd s MET 111 Ca 0.24 0.55 -0.26 0.00 -1.71 0.00 0.00 55.69 54.51 1ujd s MET 111 Cb -0.08 -0.47 0.08 0.00 2.01 0.00 0.00 34.83 36.38 1ujd s MET 111 CO 0.13 -0.61 0.80 0.45 -0.01 0.00 0.00 175.02 175.78 1ujd s SER 112 N 2.53 -0.40 0.05 3.03 0.15 -1.26 -4.07 113.70 113.74 1ujd s SER 112 Ca 0.11 -0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 1ujd s SER 112 Cb -0.15 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1ujd s SER 112 CO -0.15 -0.79 0.35 0.61 1.20 0.00 0.00 173.24 174.45 1ujd n GLY 113 N -0.32 1.01 3.63 9.45 0.00 -1.26 -5.12 105.19 112.58 1ujd n GLY 113 Ca -0.11 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1ujd n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujd s PRO 114 N -2.02 3.92 -0.35 1.61 0.04 -1.26 -4.99 135.00 131.96 1ujd s PRO 114 Ca 0.08 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1ujd s PRO 114 Cb -0.01 -3.89 0.03 0.00 0.04 0.00 0.00 34.50 30.67 1ujd s PRO 114 CO 0.02 -1.11 0.15 -1.12 0.04 0.00 0.00 177.00 174.98 1ujd s SER 115 N 2.91 5.50 -0.30 6.66 0.01 -1.26 -5.02 113.70 122.20 1ujd s SER 115 Ca 0.58 -0.98 -0.09 0.00 1.31 0.00 0.00 55.95 56.78 1ujd s SER 115 Cb -0.18 -1.95 0.17 0.00 0.21 0.00 0.00 66.02 64.27 1ujd s SER 115 CO 0.23 -0.33 0.80 -0.44 0.41 0.00 0.00 173.24 173.92 1ujd s SER 116 N 1.50 -0.94 0.00 2.44 0.01 -1.26 -5.35 113.70 110.10 1ujd s SER 116 Ca 0.01 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1ujd s SER 116 Cb -0.19 1.90 0.00 0.00 0.21 0.00 0.00 66.02 67.94 1ujd s SER 116 CO 0.05 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.13