#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd n SER 2 N 0.00 -0.42 -3.60 1.61 2.88 -1.26 -5.16 113.62 107.67 1ujd n SER 2 Ca 0.00 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1ujd n SER 2 Cb 0.00 0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 64.17 1ujd n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujd s SER 3 N -2.00 -0.06 0.98 -3.46 0.01 -1.26 -5.16 113.70 102.75 1ujd s SER 3 Ca 0.00 -0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.06 1ujd s SER 3 Cb 0.00 0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.39 1ujd s SER 3 CO 0.00 -0.20 0.35 0.61 0.41 0.00 0.00 173.24 174.41 1ujd n GLY 4 N -0.36 -2.09 2.50 3.44 0.00 -1.26 -4.99 105.19 102.44 1ujd n GLY 4 Ca -0.06 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1ujd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujd s SER 5 N -1.99 2.70 -0.38 1.61 0.15 -1.26 -5.03 113.70 109.50 1ujd s SER 5 Ca 0.57 -2.61 0.06 0.00 0.70 0.00 0.00 55.95 54.67 1ujd s SER 5 Cb -0.20 -0.58 0.17 0.00 -1.71 0.00 0.00 66.02 63.71 1ujd s SER 5 CO 0.67 -0.25 0.52 -0.55 1.20 0.00 0.00 173.24 174.84 1ujd s SER 6 N 0.52 -0.46 -0.45 5.45 0.15 -1.26 -5.11 113.70 112.54 1ujd s SER 6 Ca 0.23 -0.96 -0.44 0.00 0.70 0.00 0.00 55.95 55.48 1ujd s SER 6 Cb -0.14 1.42 -0.18 0.00 -1.71 0.00 0.00 66.02 65.41 1ujd s SER 6 CO -0.06 -0.22 1.83 0.61 1.20 0.00 0.00 173.24 176.60 1ujd n GLY 7 N 4.50 0.22 3.19 9.45 0.00 -1.26 -4.91 105.19 116.38 1ujd n GLY 7 Ca 0.10 1.03 -0.13 0.00 0.00 0.00 0.00 46.02 47.02 1ujd n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ujd s HIS 8 N 4.33 -0.17 0.54 1.61 2.46 -1.26 -5.16 115.29 117.64 1ujd s HIS 8 Ca 1.09 0.31 -0.16 0.00 0.47 0.00 0.00 55.06 56.77 1ujd s HIS 8 Cb -1.38 0.07 -0.07 0.00 -0.13 0.00 0.00 32.58 31.07 1ujd s HIS 8 CO 0.72 -0.31 1.00 0.71 -2.47 0.00 0.00 174.74 174.40 1ujd s TYR 9 N -0.95 3.40 0.48 3.88 2.02 -1.26 -4.94 117.35 119.97 1ujd s TYR 9 Ca -0.10 1.45 0.13 0.00 -0.37 0.00 0.00 57.07 58.18 1ujd s TYR 9 Cb -0.05 -2.82 1.12 0.00 -0.40 0.00 0.00 41.96 39.81 1ujd s TYR 9 CO 0.03 -0.52 2.09 -0.84 -1.57 0.00 0.00 175.55 174.74 1ujd h ILE 10 N 0.69 1.01 -2.09 2.71 -0.00 -2.03 -3.42 117.51 114.39 1ujd h ILE 10 Ca -0.46 -0.08 -0.46 0.00 -0.00 0.00 0.00 64.86 63.86 1ujd h ILE 10 Cb 1.19 0.76 -0.01 0.00 -0.00 0.00 0.00 36.82 38.76 1ujd h ILE 10 CO 0.61 0.04 -0.41 0.72 -0.00 0.00 0.00 178.15 179.11 1ujd s PHE 11 N -5.24 3.34 0.10 0.16 -0.12 -1.26 -5.07 117.98 109.88 1ujd s PHE 11 Ca -0.06 -0.08 -0.30 0.00 -0.05 0.00 0.00 56.93 56.43 1ujd s PHE 11 Cb 0.18 -1.67 -0.06 0.00 -0.63 0.00 0.00 43.02 40.84 1ujd s PHE 11 CO 0.70 0.33 1.15 -1.25 -0.05 0.00 0.00 175.22 176.10 1ujd s PRO 12 N -4.02 4.49 0.20 1.99 0.04 -1.26 -4.95 135.00 131.50 1ujd s PRO 12 Ca 0.37 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1ujd s PRO 12 Cb -0.09 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1ujd s PRO 12 CO 0.29 -0.13 0.08 -3.38 0.04 0.00 0.00 177.00 173.91 1ujd s HIS 13 N 0.59 1.24 -0.05 0.56 -3.43 -1.26 0.14 115.29 113.08 1ujd s HIS 13 Ca 0.55 -1.23 -0.02 0.00 -0.80 0.00 0.00 55.06 53.56 1ujd s HIS 13 Cb -0.29 -0.68 0.04 0.00 -1.43 0.00 0.00 32.58 30.22 1ujd s HIS 13 CO 0.31 -0.45 0.10 0.00 -2.00 0.00 0.00 174.74 172.70 1ujd s ALA 14 N -3.93 -0.10 -0.71 -1.38 0.00 -0.93 -4.77 121.76 109.95 1ujd s ALA 14 Ca 0.33 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1ujd s ALA 14 Cb 0.07 -0.41 0.18 0.00 0.00 0.00 0.00 23.12 22.97 1ujd s ALA 14 CO 0.09 -0.18 0.61 0.50 0.00 0.00 0.00 175.76 176.78 1ujd s ARG 15 N 1.27 3.16 -0.09 0.00 3.52 -1.26 -3.29 118.95 122.26 1ujd s ARG 15 Ca -0.08 -2.32 -0.06 0.00 -0.13 0.00 0.00 55.73 53.14 1ujd s ARG 15 Cb -0.12 -4.19 -0.04 0.00 -1.56 0.00 0.00 34.95 29.04 1ujd s ARG 15 CO -0.05 -1.26 0.15 0.42 -0.81 0.00 0.00 175.30 173.76 1ujd s ILE 16 N 0.39 5.47 0.18 4.11 1.09 -1.21 -4.91 121.20 126.32 1ujd s ILE 16 Ca 0.15 0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.84 1ujd s ILE 16 Cb -0.17 -3.43 -0.03 0.00 -1.06 0.00 0.00 42.46 37.77 1ujd s ILE 16 CO -0.05 0.54 0.25 -1.59 -0.10 0.00 0.00 174.94 173.99 1ujd s LYS 17 N -1.28 3.26 -0.13 2.79 -2.85 -1.26 -1.58 119.74 118.68 1ujd s LYS 17 Ca 0.18 -0.74 -0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1ujd s LYS 17 Cb -0.12 -2.83 0.03 0.00 -2.06 0.00 0.00 37.83 32.84 1ujd s LYS 17 CO 0.08 0.48 -0.10 0.42 0.10 0.00 0.00 175.35 176.33 1ujd s ILE 18 N -1.83 1.27 0.33 3.79 1.01 0.38 -4.97 121.20 121.19 1ujd s ILE 18 Ca 0.33 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 1ujd s ILE 18 Cb -0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1ujd s ILE 18 CO 0.27 0.38 0.62 0.42 0.00 0.00 0.00 174.94 176.63 1ujd s THR 19 N 1.60 4.97 -0.00 2.92 -4.23 -1.26 0.11 115.64 119.76 1ujd s THR 19 Ca 0.04 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1ujd s THR 19 Cb -0.13 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 1ujd s THR 19 CO -0.09 -0.43 -0.03 -1.14 -0.54 0.00 0.00 174.62 172.39 1ujd n ARG 20 N -1.21 0.05 -3.22 3.99 0.63 -1.26 -4.77 116.66 110.86 1ujd n ARG 20 Ca -0.01 0.02 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 1ujd n ARG 20 Cb 0.54 -0.35 0.03 0.00 0.45 0.00 0.00 32.46 33.13 1ujd n ARG 20 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ujd n ASP 21 N -2.82 -6.57 0.00 6.15 2.03 -1.26 -4.84 116.55 109.24 1ujd n ASP 21 Ca -0.01 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1ujd n ASP 21 Cb 0.05 -3.27 0.00 0.00 -0.72 0.00 0.00 41.12 37.17 1ujd n ASP 21 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ujd n SER 22 N -0.22 0.00 -2.73 1.67 7.64 -1.26 -5.11 113.62 113.61 1ujd n SER 22 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1ujd n SER 22 Cb 0.59 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.86 1ujd n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ujd n LYS 23 N -2.01 -3.67 0.00 1.43 4.01 -1.26 -4.92 118.16 111.74 1ujd n LYS 23 Ca 0.00 2.87 0.00 0.00 -0.51 0.00 0.00 58.31 60.67 1ujd n LYS 23 Cb 0.00 -4.41 0.00 0.00 -0.51 0.00 0.00 35.03 30.11 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ujd n ASP 24 N 1.53 0.00 0.04 4.39 8.00 -1.26 -4.96 116.55 124.29 1ujd n ASP 24 Ca -0.24 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1ujd n ASP 24 Cb 0.40 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1ujd n ASP 24 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1ujd n HIS 25 N -2.16 -2.23 0.00 1.24 -0.00 -1.26 -5.05 115.22 105.76 1ujd n HIS 25 Ca 0.00 0.29 0.00 0.00 0.46 0.00 0.00 57.72 58.47 1ujd n HIS 25 Cb 0.00 0.99 0.00 0.00 -0.12 0.00 0.00 29.99 30.86 1ujd n HIS 25 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1ujd n THR 26 N -2.45 0.00 -0.32 3.57 -1.04 -1.26 -4.94 114.28 107.84 1ujd n THR 26 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1ujd n THR 26 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 1ujd n THR 26 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1ujd n VAL 27 N 0.00 2.06 -4.02 12.58 0.24 -1.26 -4.78 118.33 123.15 1ujd n VAL 27 Ca 0.00 -1.05 -0.33 0.00 -2.04 0.00 0.00 64.34 60.92 1ujd n VAL 27 Cb 0.00 -0.48 -0.15 0.00 -1.47 0.00 0.00 33.84 31.74 1ujd n VAL 27 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ujd s SER 28 N -0.50 4.20 0.00 -1.34 0.01 -1.26 -5.01 113.70 109.80 1ujd s SER 28 Ca 0.36 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1ujd s SER 28 Cb 0.29 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1ujd s SER 28 CO 0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1ujd n GLY 29 N 4.57 2.98 0.27 3.44 0.00 -1.26 -4.13 105.19 111.06 1ujd n GLY 29 Ca -0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1ujd n GLY 29 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ujd h ASN 30 N 0.00 -0.57 0.00 1.61 4.21 -1.95 -3.49 115.58 115.38 1ujd h ASN 30 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1ujd h ASN 30 Cb 0.00 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1ujd h ASN 30 CO 0.00 -0.40 0.00 0.61 -1.29 0.00 0.00 177.43 176.35 1ujd n GLY 31 N -1.28 -0.76 2.38 2.83 0.00 -1.26 -4.66 105.19 102.44 1ujd n GLY 31 Ca -0.08 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 6.37 -3.81 0.99 4.77 -1.26 -4.79 117.00 119.27 1ujd n LEU 32 Ca 0.00 -3.94 -0.28 0.00 -0.03 0.00 0.00 56.01 51.75 1ujd n LEU 32 Cb 0.00 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1ujd n LEU 32 CO 0.00 1.76 -0.23 0.61 -1.33 0.00 0.00 177.39 178.20 1ujd n GLY 33 N 1.35 -1.15 3.44 -0.72 0.00 -1.26 -3.36 105.19 103.49 1ujd n GLY 33 Ca 0.49 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.90 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 -3.08 0.00 -0.34 -0.61 2.07 -1.26 -3.48 121.20 114.50 1ujd s ILE 34 Ca 0.10 -0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1ujd s ILE 34 Cb -0.06 -0.76 0.08 0.00 0.13 0.00 0.00 42.46 41.85 1ujd s ILE 34 CO 0.86 -0.01 0.08 -0.13 -1.91 0.00 0.00 174.94 173.83 1ujd s ARG 35 N 0.14 2.14 -0.25 3.50 0.52 0.13 -4.95 118.95 120.18 1ujd s ARG 35 Ca -0.01 -1.56 -0.03 0.00 -0.52 0.00 0.00 55.73 53.61 1ujd s ARG 35 Cb -0.04 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.12 1ujd s ARG 35 CO 0.01 -0.83 -0.04 0.42 0.02 0.00 0.00 175.30 174.88 1ujd s ILE 36 N 1.16 3.14 -0.23 1.52 1.01 -1.26 0.33 121.20 126.87 1ujd s ILE 36 Ca 0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 1ujd s ILE 36 Cb -0.21 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1ujd s ILE 36 CO -0.03 0.25 0.44 -0.69 0.00 0.00 0.00 174.94 174.91 1ujd s VAL 37 N 1.39 5.15 0.48 2.92 1.01 -0.74 -4.76 120.40 125.86 1ujd s VAL 37 Ca 0.02 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.84 1ujd s VAL 37 Cb -0.16 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ujd s VAL 37 CO -0.03 0.18 0.62 -0.83 0.00 0.00 0.00 175.10 175.04 1ujd s GLY 38 N 1.30 1.91 -1.30 4.51 0.00 -1.26 -1.57 107.32 110.91 1ujd s GLY 38 Ca 0.19 -1.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.06 1ujd s GLY 38 CO 0.09 -1.61 0.03 0.61 0.00 0.00 0.00 173.10 172.22 1ujd n GLY 39 N -1.96 -0.26 3.76 0.20 0.00 0.28 -3.02 105.19 104.19 1ujd n GLY 39 Ca 0.10 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.81 3.37 0.32 1.61 2.20 -0.44 -4.75 119.74 117.25 1ujd s LYS 40 Ca 0.02 -0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 1ujd s LYS 40 Cb -0.01 -3.05 -0.10 0.00 -1.51 0.00 0.00 37.83 33.16 1ujd s LYS 40 CO 0.02 0.66 1.38 -2.00 -0.36 0.00 0.00 175.35 175.05 1ujd s GLU 41 N -0.72 4.28 -0.08 4.03 2.12 -1.26 -0.32 118.70 126.75 1ujd s GLU 41 Ca 0.12 2.31 -0.01 0.00 0.36 0.00 0.00 54.97 57.75 1ujd s GLU 41 Cb -0.12 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1ujd s GLU 41 CO 0.03 -0.32 -0.02 0.42 -0.54 0.00 0.00 175.26 174.83 1ujd s ILE 42 N -0.84 4.17 0.00 -3.70 1.01 -0.08 -4.89 121.20 116.87 1ujd s ILE 42 Ca 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1ujd s ILE 42 Cb -0.42 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1ujd s ILE 42 CO 0.52 0.60 0.22 -0.81 0.00 0.00 0.00 174.94 175.48 1ujd n PRO 43 N 2.16 0.00 -0.32 2.79 -0.04 -1.26 -4.13 135.00 134.20 1ujd n PRO 43 Ca -0.18 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1ujd n PRO 43 Cb 0.53 -1.01 0.10 0.00 -0.04 0.00 0.00 33.50 33.09 1ujd n PRO 43 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ujd h GLY 44 N 0.00 0.51 -4.01 0.55 0.00 -1.97 -3.39 103.07 94.76 1ujd h GLY 44 Ca 0.00 0.34 -0.53 0.00 0.00 0.00 0.00 47.33 47.14 1ujd h GLY 44 CO 0.00 -0.31 0.74 0.30 0.00 0.00 0.00 176.54 177.27 1ujd s HIS 45 N -6.19 2.81 -0.97 5.60 3.76 -1.26 -4.82 115.29 114.22 1ujd s HIS 45 Ca -0.15 1.18 -0.25 0.00 -0.15 0.00 0.00 55.06 55.69 1ujd s HIS 45 Cb 0.23 -3.89 -0.13 0.00 1.11 0.00 0.00 32.58 29.90 1ujd s HIS 45 CO 0.75 -2.66 2.14 -1.12 -0.85 0.00 0.00 174.74 173.00 1ujd s SER 46 N -0.11 4.23 -0.67 1.40 0.01 -1.26 -3.98 113.70 113.32 1ujd s SER 46 Ca 0.54 -0.70 -0.16 0.00 1.31 0.00 0.00 55.95 56.94 1ujd s SER 46 Cb -0.44 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.24 1ujd s SER 46 CO 0.55 -3.74 0.63 0.61 0.41 0.00 0.00 173.24 171.70 1ujd n GLY 47 N 6.46 -0.72 2.87 3.44 0.00 -1.26 -4.98 105.19 111.00 1ujd n GLY 47 Ca 0.43 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 47.16 1ujd n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ujd s GLU 48 N -3.89 0.06 0.58 1.61 2.56 -1.26 -4.99 118.70 113.37 1ujd s GLU 48 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 54.97 54.99 1ujd s GLU 48 Cb -0.02 -0.09 -0.06 0.00 2.00 0.00 0.00 34.13 35.96 1ujd s GLU 48 CO 0.88 -0.01 1.01 0.96 -0.56 0.00 0.00 175.26 177.55 1ujd s ILE 49 N 0.14 4.58 0.00 -3.70 -4.36 -1.26 -0.90 121.20 115.71 1ujd s ILE 49 Ca -0.01 1.02 0.00 0.00 -0.26 0.00 0.00 60.65 61.40 1ujd s ILE 49 Cb -0.02 -3.77 0.00 0.00 1.25 0.00 0.00 42.46 39.92 1ujd s ILE 49 CO -0.00 -0.92 0.00 0.61 0.24 0.00 0.00 174.94 174.87 1ujd n GLY 50 N -2.15 2.43 3.03 6.27 0.00 0.56 -2.06 105.19 113.27 1ujd n GLY 50 Ca 0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.00 0.43 -0.04 4.61 0.00 -1.26 0.99 121.76 125.48 1ujd s ALA 51 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1ujd s ALA 51 Cb 0.00 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1ujd s ALA 51 CO 0.00 -0.04 0.37 1.52 0.00 0.00 0.00 175.76 177.61 1ujd s TYR 52 N -1.25 -0.29 -0.31 0.00 1.13 -0.61 -0.32 117.35 115.70 1ujd s TYR 52 Ca -0.10 0.53 -0.28 0.00 -1.41 0.00 0.00 57.07 55.81 1ujd s TYR 52 Cb -0.09 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1ujd s TYR 52 CO -0.00 -0.39 2.21 0.42 -2.51 0.00 0.00 175.55 175.28 1ujd s ILE 53 N -1.02 3.07 -0.11 -3.49 1.01 0.19 -1.78 121.20 119.07 1ujd s ILE 53 Ca -0.11 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 1ujd s ILE 53 Cb -0.04 -3.11 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 1ujd s ILE 53 CO 0.04 -0.08 0.36 0.00 0.00 0.00 0.00 174.94 175.26 1ujd h ALA 54 N 15.88 -0.03 -3.56 9.38 0.00 -0.44 1.07 119.26 141.56 1ujd h ALA 54 Ca -0.36 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 1ujd h ALA 54 Cb 1.23 0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.78 1ujd h ALA 54 CO 1.02 -0.04 -0.72 0.21 0.00 0.00 0.00 179.25 179.72 1ujd s LYS 55 N -1.97 0.20 -0.37 0.00 2.47 -0.98 -4.56 119.74 114.53 1ujd s LYS 55 Ca -0.08 -0.23 -0.05 0.00 -1.56 0.00 0.00 55.97 54.04 1ujd s LYS 55 Cb -0.01 -0.09 0.07 0.00 -1.46 0.00 0.00 37.83 36.34 1ujd s LYS 55 CO 0.29 0.02 0.14 0.42 0.16 0.00 0.00 175.35 176.38 1ujd s ILE 56 N -0.46 3.62 0.51 5.43 1.01 -1.26 -0.70 121.20 129.36 1ujd s ILE 56 Ca -0.04 -1.46 -0.18 0.00 0.00 0.00 0.00 60.65 58.98 1ujd s ILE 56 Cb -0.03 -3.19 -0.14 0.00 0.01 0.00 0.00 42.46 39.10 1ujd s ILE 56 CO -0.00 -0.36 -0.04 0.18 0.00 0.00 0.00 174.94 174.72 1ujd n LEU 57 N 4.75 -3.09 -4.75 2.97 7.99 -1.23 -4.85 117.00 118.79 1ujd n LEU 57 Ca -0.10 0.67 -0.41 0.00 -0.01 0.00 0.00 56.01 56.16 1ujd n LEU 57 Cb 0.43 -0.89 -0.04 0.00 -0.11 0.00 0.00 43.42 42.81 1ujd n LEU 57 CO 0.33 -4.57 0.79 -2.16 -1.51 0.00 0.00 177.39 170.27 1ujd s PRO 58 N -1.15 4.62 -1.25 3.23 0.04 -1.26 -3.72 135.00 135.51 1ujd s PRO 58 Ca 0.58 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 1ujd s PRO 58 Cb -0.49 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 30.83 1ujd s PRO 58 CO 0.65 0.14 0.17 0.41 0.04 0.00 0.00 177.00 178.41 1ujd n GLY 59 N 1.66 -0.28 0.00 0.56 0.00 -1.26 -4.91 105.19 100.95 1ujd n GLY 59 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.25 2.80 0.12 -0.02 0.00 -1.24 -4.92 105.19 99.67 1ujd n GLY 60 Ca -0.23 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 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 0.00 0.33 -0.03 1.61 0.02 -1.79 -0.78 113.55 112.91 1ujd h SER 61 Ca 0.00 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1ujd h SER 61 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1ujd h SER 61 CO 0.00 1.13 -0.09 0.00 -1.14 0.00 0.00 176.83 176.74 1ujd h ALA 62 N 0.84 0.05 0.00 3.77 0.00 -1.71 -3.12 119.26 119.08 1ujd h ALA 62 Ca -0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1ujd h ALA 62 Cb 1.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1ujd h ALA 62 CO 0.16 -0.08 -0.26 1.49 0.00 0.00 0.00 179.25 180.56 1ujd h GLU 63 N -0.46 0.00 -0.43 0.00 4.81 -1.80 -2.92 114.58 113.78 1ujd h GLU 63 Ca -0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1ujd h GLU 63 Cb 0.71 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1ujd h GLU 63 CO 0.02 0.26 -0.02 1.96 -0.73 0.00 0.00 179.01 180.50 1ujd h GLN 64 N 0.00 0.09 -0.71 1.92 1.08 -1.07 -0.74 115.11 115.68 1ujd h GLN 64 Ca -0.00 -0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1ujd h GLN 64 Cb 0.56 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.87 1ujd h GLN 64 CO 0.03 0.06 0.25 1.79 -0.95 0.00 0.00 178.83 180.01 1ujd h THR 65 N 0.09 0.65 -0.01 -0.54 1.35 -1.54 -3.45 112.91 109.46 1ujd h THR 65 Ca 0.21 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.94 1ujd h THR 65 Cb 0.32 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1ujd h THR 65 CO -0.37 0.07 -0.01 0.61 -0.25 0.00 0.00 175.52 175.57 1ujd n GLY 66 N -1.32 0.47 0.03 5.82 0.00 -0.28 -4.84 105.19 105.06 1ujd n GLY 66 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1ujd n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujd n LYS 67 N -2.69 1.24 -2.81 1.61 5.02 -1.26 -4.98 118.16 114.28 1ujd n LYS 67 Ca -0.00 -0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 1ujd n LYS 67 Cb 0.05 -1.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1ujd n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ujd s LEU 68 N -4.30 4.30 0.02 -0.35 2.01 -1.26 -5.07 118.68 114.03 1ujd s LEU 68 Ca -0.05 1.79 -0.05 0.00 0.01 0.00 0.00 54.13 55.83 1ujd s LEU 68 Cb 0.06 -4.04 -0.01 0.00 0.01 0.00 0.00 46.19 42.21 1ujd s LEU 68 CO 0.47 -0.09 0.08 -0.04 1.01 0.00 0.00 176.35 177.78 1ujd s MET 69 N -2.17 0.48 0.61 1.70 -1.94 -1.26 -4.92 119.30 111.79 1ujd s MET 69 Ca 0.51 -0.59 -0.18 0.00 -1.71 0.00 0.00 55.69 53.72 1ujd s MET 69 Cb -0.17 0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.83 1ujd s MET 69 CO 0.22 -0.11 1.22 -1.21 -0.01 0.00 0.00 175.02 175.13 1ujd s GLU 70 N -1.87 2.88 0.00 2.03 2.02 -1.26 -2.75 118.70 119.75 1ujd s GLU 70 Ca -0.11 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.73 1ujd s GLU 70 Cb -0.06 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.26 1ujd s GLU 70 CO -0.01 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.39 1ujd n GLY 71 N 0.54 2.29 3.53 -1.39 0.00 0.37 -4.96 105.19 105.57 1ujd n GLY 71 Ca 0.14 -0.23 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 1ujd n GLY 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujd n MET 72 N 0.00 0.75 -3.13 1.61 2.81 -1.11 -3.61 117.12 114.44 1ujd n MET 72 Ca 0.00 0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.74 1ujd n MET 72 Cb 0.00 -1.65 -0.07 0.00 -0.71 0.00 0.00 33.22 30.79 1ujd n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1ujd s GLN 73 N -0.55 3.66 -0.45 0.03 0.74 -1.26 0.54 119.66 122.36 1ujd s GLN 73 Ca 0.73 0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.86 1ujd s GLN 73 Cb -0.92 -3.81 0.02 0.00 1.10 0.00 0.00 33.01 29.39 1ujd s GLN 73 CO 0.54 -0.74 1.32 0.08 -0.55 0.00 0.00 175.29 175.95 1ujd s VAL 74 N 2.68 3.99 0.02 1.34 1.01 0.56 -2.79 120.40 127.20 1ujd s VAL 74 Ca 0.24 0.99 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 1ujd s VAL 74 Cb -0.15 -4.36 -0.16 0.00 0.00 0.00 0.00 36.38 31.72 1ujd s VAL 74 CO 0.15 -0.88 1.21 -0.07 0.00 0.00 0.00 175.10 175.51 1ujd h LEU 75 N 11.97 -0.73 -8.23 3.92 3.38 0.18 -3.38 115.31 122.41 1ujd h LEU 75 Ca -0.26 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 1ujd h LEU 75 Cb 1.09 0.19 -0.17 0.00 0.09 0.00 0.00 40.66 41.85 1ujd h LEU 75 CO 1.11 -0.38 -0.70 -1.61 0.09 0.00 0.00 178.44 176.95 1ujd s GLU 76 N -4.89 0.60 -0.12 1.13 2.02 0.03 -2.77 118.70 114.70 1ujd s GLU 76 Ca -0.15 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1ujd s GLU 76 Cb 0.02 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.23 1ujd s GLU 76 CO 0.48 -0.04 -0.11 -0.46 0.02 0.00 0.00 175.26 175.15 1ujd s TRP 77 N -2.80 1.78 -1.18 1.61 -0.11 0.48 0.07 118.94 118.80 1ujd s TRP 77 Ca 0.00 -0.90 0.00 0.00 1.22 0.00 0.00 56.10 56.42 1ujd s TRP 77 Cb -0.00 -1.36 0.00 0.00 -1.50 0.00 0.00 33.47 30.60 1ujd s TRP 77 CO -0.04 -0.53 0.00 0.09 -4.62 0.00 0.00 176.95 171.84 1ujd n ASN 78 N 4.65 -4.24 0.00 5.86 5.03 -1.00 0.10 115.26 125.67 1ujd n ASN 78 Ca -0.16 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1ujd n ASN 78 Cb 0.50 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.68 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ujd n GLY 79 N -0.84 2.71 3.70 7.41 0.00 -1.26 -4.95 105.19 111.95 1ujd n GLY 79 Ca -0.16 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1ujd n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ujd s ILE 80 N -1.13 3.53 0.63 -0.61 1.09 0.12 -4.92 121.20 119.90 1ujd s ILE 80 Ca 0.00 1.00 -0.14 0.00 -1.10 0.00 0.00 60.65 60.41 1ujd s ILE 80 Cb 0.00 -3.64 -0.02 0.00 -1.06 0.00 0.00 42.46 37.73 1ujd s ILE 80 CO 0.00 0.03 1.05 -2.16 -0.10 0.00 0.00 174.94 173.76 1ujd s PRO 81 N 1.95 3.22 0.00 2.79 0.04 -1.26 0.18 135.00 141.92 1ujd s PRO 81 Ca 0.65 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1ujd s PRO 81 Cb -0.34 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1ujd s PRO 81 CO 0.28 -0.88 0.45 1.28 0.04 0.00 0.00 177.00 178.17 1ujd n LEU 82 N -2.42 0.91 -4.71 -3.56 4.77 -1.11 -4.81 117.00 106.07 1ujd n LEU 82 Ca 0.08 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 1ujd n LEU 82 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1ujd n LEU 82 CO 0.50 0.21 0.81 -0.89 -1.33 0.00 0.00 177.39 176.69 1ujd s THR 83 N -0.44 4.39 0.00 -5.08 2.01 -1.26 -3.21 115.64 112.06 1ujd s THR 83 Ca 0.02 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.74 1ujd s THR 83 Cb 0.02 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1ujd s THR 83 CO 0.04 0.12 0.00 -0.24 -0.69 0.00 0.00 174.62 173.85 1ujd n SER 84 N 4.08 -1.49 -2.95 3.53 2.88 -0.87 -4.98 113.62 113.82 1ujd n SER 84 Ca 0.08 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.47 1ujd n SER 84 Cb 0.48 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.73 0.74 -4.38 -1.46 4.76 -1.20 -5.07 118.16 110.82 1ujd n LYS 85 Ca 0.00 -2.10 -0.22 0.00 -2.87 0.00 0.00 58.31 53.12 1ujd n LYS 85 Cb 0.49 1.13 -0.11 0.00 -1.84 0.00 0.00 35.03 34.70 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 -2.47 2.04 0.15 -0.18 -4.23 -1.26 -3.27 115.64 106.42 1ujd s THR 86 Ca 0.12 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.24 1ujd s THR 86 Cb 0.01 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 1ujd s THR 86 CO 0.09 -0.38 1.37 0.00 -0.54 0.00 0.00 174.62 175.15 1ujd n TYR 87 N -0.12 -0.32 0.00 3.99 4.19 -1.17 -0.09 117.16 123.65 1ujd n TYR 87 Ca -0.10 1.11 0.00 0.00 3.31 0.00 0.00 57.90 62.22 1ujd n TYR 87 Cb 0.58 -0.62 0.00 0.00 0.49 0.00 0.00 39.34 39.80 1ujd n TYR 87 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1ujd n GLU 88 N -5.14 0.00 -0.17 2.98 1.02 -1.26 -0.12 120.64 117.95 1ujd n GLU 88 Ca 0.03 0.71 -0.04 0.00 -0.02 0.00 0.00 57.16 57.83 1ujd n GLU 88 Cb 0.25 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 1ujd n GLU 88 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ujd n GLU 89 N -2.38 -0.18 -0.31 3.49 1.02 -0.64 -0.58 120.64 121.07 1ujd n GLU 89 Ca 0.00 1.15 -0.12 0.00 -0.02 0.00 0.00 57.16 58.17 1ujd n GLU 89 Cb 0.00 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ujd h VAL 90 N 0.00 0.00 -0.50 2.62 2.07 -0.38 -0.52 116.25 119.54 1ujd h VAL 90 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1ujd h VAL 90 Cb 0.16 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.87 1ujd h VAL 90 CO -0.38 0.00 -0.36 -0.61 0.02 0.00 0.00 177.57 176.24 1ujd h GLN 91 N -0.15 -0.08 -0.99 1.57 4.15 0.20 0.19 115.11 120.01 1ujd h GLN 91 Ca 0.13 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.72 1ujd h GLN 91 Cb 0.49 0.02 -0.17 0.00 0.21 0.00 0.00 27.48 28.02 1ujd h GLN 91 CO -0.81 -0.05 -0.35 0.77 -1.93 0.00 0.00 178.83 176.47 1ujd h SER 92 N -0.08 -1.28 -0.80 -0.69 0.02 0.58 2.87 113.55 114.18 1ujd h SER 92 Ca 0.08 0.31 0.14 0.00 -0.84 0.00 0.00 61.79 61.47 1ujd h SER 92 Cb 0.29 0.71 -0.09 0.00 0.14 0.00 0.00 62.40 63.45 1ujd h SER 92 CO -0.51 -0.30 0.38 0.40 -1.14 0.00 0.00 176.83 175.66 1ujd h ILE 93 N -0.00 0.72 0.24 3.27 2.04 0.44 0.09 117.51 124.31 1ujd h ILE 93 Ca 0.38 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1ujd h ILE 93 Cb 0.64 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1ujd h ILE 93 CO -1.00 0.10 -0.12 0.40 0.00 0.00 0.00 178.15 177.54 1ujd h ILE 94 N 0.56 0.17 0.00 -0.67 2.04 0.42 -3.38 117.51 116.65 1ujd h ILE 94 Ca 0.43 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1ujd h ILE 94 Cb 0.60 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1ujd h ILE 94 CO -0.36 0.05 0.00 -0.24 0.00 0.00 0.00 178.15 177.60 1ujd n SER 95 N -4.99 0.00 -4.41 1.72 2.88 0.83 -4.10 113.62 105.56 1ujd n SER 95 Ca -0.05 0.64 -0.52 0.00 -1.33 0.00 0.00 58.87 57.62 1ujd n SER 95 Cb 0.17 -0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 1ujd n SER 95 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ujd n GLN 96 N -1.73 0.76 0.00 -1.46 7.27 -0.01 -4.41 117.38 117.80 1ujd n GLN 96 Ca 0.00 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1ujd n GLN 96 Cb 0.00 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 30.43 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 8.09 0.00 -2.40 3.69 -0.06 -1.26 -4.86 117.38 120.58 1ujd n GLN 97 Ca 0.46 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.43 1ujd n GLN 97 Cb 0.17 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.36 1ujd n GLN 97 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ujd n SER 98 N -1.04 -5.05 0.00 1.69 2.88 -1.26 -4.98 113.62 105.86 1ujd n SER 98 Ca 0.00 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1ujd n SER 98 Cb 0.00 -3.32 0.00 0.00 -0.75 0.00 0.00 64.21 60.14 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 99 N -1.41 1.60 3.14 0.46 0.00 -1.26 -5.05 105.19 102.68 1ujd n GLY 99 Ca -0.01 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.69 0.00 -3.64 1.61 -0.00 -1.26 -4.73 120.64 110.94 1ujd n GLU 100 Ca 0.00 0.01 -0.11 0.00 -0.00 0.00 0.00 57.16 57.06 1ujd n GLU 100 Cb 0.00 -1.13 -0.05 0.00 -0.00 0.00 0.00 31.44 30.26 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 -2.02 -0.96 0.41 -1.84 0.00 0.31 -4.92 121.76 112.74 1ujd s ALA 101 Ca 0.48 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.58 1ujd s ALA 101 Cb -0.28 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1ujd s ALA 101 CO 0.75 -0.59 0.48 -1.21 0.00 0.00 0.00 175.76 175.19 1ujd s GLU 102 N -3.42 2.71 0.02 0.00 8.01 -1.26 0.14 118.70 124.90 1ujd s GLU 102 Ca 0.01 -1.36 -0.09 0.00 0.01 0.00 0.00 54.97 53.54 1ujd s GLU 102 Cb 0.01 -2.60 0.00 0.00 -4.31 0.00 0.00 34.13 27.23 1ujd s GLU 102 CO -0.09 -0.22 0.18 0.42 0.01 0.00 0.00 175.26 175.55 1ujd s ILE 103 N -2.39 0.10 -0.36 -1.63 1.01 -0.61 -2.38 121.20 114.93 1ujd s ILE 103 Ca 0.52 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1ujd s ILE 103 Cb -0.07 -0.69 0.15 0.00 0.01 0.00 0.00 42.46 41.86 1ujd s ILE 103 CO 0.31 -0.43 0.24 0.00 0.00 0.00 0.00 174.94 175.05 1ujd s VAL 105 N 0.90 3.25 -0.06 0.00 0.11 -1.21 0.19 120.40 123.59 1ujd s VAL 105 Ca 0.21 -1.56 -0.09 0.00 -2.93 0.00 0.00 61.98 57.60 1ujd s VAL 105 Cb -0.18 -3.07 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 1ujd s VAL 105 CO -0.03 -0.18 0.25 -0.60 -3.33 0.00 0.00 175.10 171.21 1ujd s ARG 106 N -3.90 3.62 0.00 1.54 3.52 -1.12 -2.19 118.95 120.42 1ujd s ARG 106 Ca 0.39 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1ujd s ARG 106 Cb -0.04 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1ujd s ARG 106 CO 0.24 0.73 0.00 1.28 -0.81 0.00 0.00 175.30 176.74 1ujd n LEU 107 N 1.76 0.00 -4.10 -0.88 4.77 0.38 -4.70 117.00 114.23 1ujd n LEU 107 Ca -0.16 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.45 1ujd n LEU 107 Cb 0.54 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1ujd n LEU 107 CO 0.35 0.00 -1.40 0.47 -1.33 0.00 0.00 177.39 175.48 1ujd n ASP 108 N 0.00 -3.62 -0.82 -1.43 9.92 -1.25 -4.72 116.55 114.64 1ujd n ASP 108 Ca 0.00 0.06 0.09 0.00 -0.53 0.00 0.00 54.79 54.41 1ujd n ASP 108 Cb 0.00 -0.74 -0.05 0.00 -0.64 0.00 0.00 41.12 39.69 1ujd n ASP 108 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ujd n LEU 109 N 1.98 -0.62 -3.64 0.64 0.00 -1.26 -4.94 117.00 109.15 1ujd n LEU 109 Ca -0.01 1.39 -0.05 0.00 0.00 0.00 0.00 56.01 57.35 1ujd n LEU 109 Cb 0.65 -1.68 -0.07 0.00 0.00 0.00 0.00 43.42 42.33 1ujd n LEU 109 CO 0.48 -1.13 0.90 0.21 0.00 0.00 0.00 177.39 177.85 1ujd s ASN 110 N -5.70 -0.29 -0.74 1.96 2.47 -1.26 -4.91 114.94 106.47 1ujd s ASN 110 Ca 0.00 0.52 -0.26 0.00 0.42 0.00 0.00 52.86 53.55 1ujd s ASN 110 Cb 0.00 0.69 -0.05 0.00 -1.45 0.00 0.00 41.25 40.44 1ujd s ASN 110 CO 0.00 -0.09 2.03 -0.04 -3.72 0.00 0.00 177.10 175.28 1ujd s MET 111 N 0.44 2.40 0.94 0.43 -1.94 -1.24 -4.76 119.30 115.57 1ujd s MET 111 Ca 0.01 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 1ujd s MET 111 Cb -0.04 -4.74 0.00 0.00 2.01 0.00 0.00 34.83 32.06 1ujd s MET 111 CO -0.11 -3.28 0.00 0.45 -0.01 0.00 0.00 175.02 172.07 1ujd n SER 112 N 14.38 -7.30 -4.20 3.03 2.88 -1.26 -4.85 113.62 116.30 1ujd n SER 112 Ca 0.34 0.93 -0.23 0.00 -1.33 0.00 0.00 58.87 58.58 1ujd n SER 112 Cb 0.49 -2.62 -0.09 0.00 -0.75 0.00 0.00 64.21 61.24 1ujd n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujd s GLY 113 N -6.51 2.32 0.80 0.46 0.00 -1.26 -5.00 107.32 98.13 1ujd s GLY 113 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 1ujd s GLY 113 CO 0.00 -1.77 1.10 2.56 0.00 0.00 0.00 173.10 174.98 1ujd s PRO 114 N -3.80 2.08 0.12 2.90 0.04 -1.26 -4.81 135.00 130.26 1ujd s PRO 114 Ca 0.30 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1ujd s PRO 114 Cb 0.05 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1ujd s PRO 114 CO 0.15 -1.63 0.00 0.45 0.04 0.00 0.00 177.00 176.02 1ujd n SER 115 N -3.44 -6.75 0.13 6.66 2.88 -1.26 -5.06 113.62 106.78 1ujd n SER 115 Ca 0.07 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1ujd n SER 115 Cb 0.56 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 1ujd n SER 115 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujd n SER 116 N 1.27 -0.06 0.00 -3.46 7.64 -1.26 -5.24 113.62 112.51 1ujd n SER 116 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1ujd n SER 116 Cb 0.00 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1ujd n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64