#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 -0.22 0.52 1.61 0.01 -1.26 -5.15 113.70 109.21 1ujd s SER 2 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1ujd s SER 2 Cb 0.00 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1ujd s SER 2 CO 0.00 -0.04 0.00 -0.24 0.41 0.00 0.00 173.24 173.37 1ujd n SER 3 N 5.06 -6.50 -0.29 2.44 2.88 -1.26 -5.04 113.62 110.92 1ujd n SER 3 Ca -0.08 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1ujd n SER 3 Cb 0.55 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 1ujd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 4 N -3.95 6.11 3.77 0.46 0.00 -1.26 -5.14 105.19 105.19 1ujd n GLY 4 Ca -0.08 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 1ujd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujd s SER 5 N 0.32 3.21 0.52 1.61 1.04 -1.26 -4.88 113.70 114.26 1ujd s SER 5 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1ujd s SER 5 Cb 0.00 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.69 1ujd s SER 5 CO 0.00 -2.73 0.00 -1.20 0.98 0.00 0.00 173.24 170.29 1ujd n SER 6 N -3.88 -7.48 0.00 7.02 7.64 -1.26 -5.06 113.62 110.60 1ujd n SER 6 Ca 0.07 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.61 1ujd n SER 6 Cb 0.59 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 1ujd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 7 N -2.52 5.08 3.64 0.23 0.00 -1.26 -5.17 105.19 105.18 1ujd n GLY 7 Ca -0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 2.02 -0.86 1.16 1.61 2.46 -1.26 -5.17 115.29 115.24 1ujd s HIS 8 Ca 0.00 1.85 -0.16 0.00 0.47 0.00 0.00 55.06 57.22 1ujd s HIS 8 Cb 0.00 0.46 0.27 0.00 -0.13 0.00 0.00 32.58 33.18 1ujd s HIS 8 CO 0.00 -0.42 1.06 0.71 -2.47 0.00 0.00 174.74 173.62 1ujd s TYR 9 N 1.09 1.08 -0.63 3.88 2.02 -1.26 -4.92 117.35 118.61 1ujd s TYR 9 Ca -0.06 0.80 0.26 0.00 -0.37 0.00 0.00 57.07 57.70 1ujd s TYR 9 Cb -0.05 -3.24 0.77 0.00 -0.40 0.00 0.00 41.96 39.04 1ujd s TYR 9 CO -0.12 -3.71 1.75 -0.84 -1.57 0.00 0.00 175.55 171.06 1ujd h ILE 10 N -2.48 0.00 -2.07 2.71 3.07 -2.05 -3.45 117.51 113.24 1ujd h ILE 10 Ca -0.52 -0.53 -0.52 0.00 1.55 0.00 0.00 64.86 64.84 1ujd h ILE 10 Cb 1.32 1.50 -0.06 0.00 -0.27 0.00 0.00 36.82 39.31 1ujd h ILE 10 CO 0.45 0.00 -0.53 0.72 -1.05 0.00 0.00 178.15 177.74 1ujd s PHE 11 N -3.16 2.92 -0.12 0.16 -0.12 -1.26 -5.08 117.98 111.32 1ujd s PHE 11 Ca 0.09 -0.22 -0.29 0.00 -0.05 0.00 0.00 56.93 56.46 1ujd s PHE 11 Cb 0.11 -1.49 -0.02 0.00 -0.63 0.00 0.00 43.02 40.99 1ujd s PHE 11 CO 0.58 0.44 1.25 -1.25 -0.05 0.00 0.00 175.22 176.19 1ujd s PRO 12 N -3.85 4.27 0.11 1.99 0.04 -1.26 -5.00 135.00 131.31 1ujd s PRO 12 Ca 0.35 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1ujd s PRO 12 Cb -0.06 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1ujd s PRO 12 CO 0.24 -0.62 0.05 -3.38 0.04 0.00 0.00 177.00 173.33 1ujd s HIS 13 N 3.06 0.75 -0.28 0.56 -3.43 -1.26 -0.50 115.29 114.18 1ujd s HIS 13 Ca 0.56 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 1ujd s HIS 13 Cb -0.23 -0.43 0.09 0.00 -1.43 0.00 0.00 32.58 30.58 1ujd s HIS 13 CO 0.18 -0.50 0.05 0.00 -2.00 0.00 0.00 174.74 172.46 1ujd s ALA 14 N -4.01 1.82 -0.93 -1.38 0.00 -0.96 -4.80 121.76 111.50 1ujd s ALA 14 Ca 0.20 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.35 1ujd s ALA 14 Cb 0.07 -1.59 0.16 0.00 0.00 0.00 0.00 23.12 21.76 1ujd s ALA 14 CO -0.01 -1.50 1.07 1.03 0.00 0.00 0.00 175.76 176.35 1ujd s ARG 15 N 1.47 3.64 -0.06 0.00 0.52 -1.26 -3.71 118.95 119.54 1ujd s ARG 15 Ca 0.05 -1.99 0.05 0.00 -0.52 0.00 0.00 55.73 53.31 1ujd s ARG 15 Cb -0.18 -4.81 -0.02 0.00 0.52 0.00 0.00 34.95 30.46 1ujd s ARG 15 CO -0.16 -1.66 -0.20 0.42 0.02 0.00 0.00 175.30 173.72 1ujd s ILE 16 N 1.99 2.48 0.06 1.52 1.09 -1.21 -4.92 121.20 122.21 1ujd s ILE 16 Ca 0.30 -0.92 -0.22 0.00 -1.10 0.00 0.00 60.65 58.72 1ujd s ILE 16 Cb -0.06 -1.94 -0.06 0.00 -1.06 0.00 0.00 42.46 39.34 1ujd s ILE 16 CO -0.09 0.57 0.65 -0.75 -0.10 0.00 0.00 174.94 175.22 1ujd s LYS 17 N -0.27 4.36 0.01 2.79 2.36 -1.26 -2.35 119.74 125.37 1ujd s LYS 17 Ca 0.00 0.87 -0.30 0.00 -2.55 0.00 0.00 55.97 53.99 1ujd s LYS 17 Cb -0.13 -3.30 -0.07 0.00 -1.05 0.00 0.00 37.83 33.28 1ujd s LYS 17 CO 0.03 0.47 1.77 0.42 1.55 0.00 0.00 175.35 179.59 1ujd s ILE 18 N -0.61 3.24 -0.06 5.43 -1.09 0.39 -4.84 121.20 123.67 1ujd s ILE 18 Ca 0.33 0.40 0.04 0.00 -2.23 0.00 0.00 60.65 59.18 1ujd s ILE 18 Cb -0.20 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1ujd s ILE 18 CO 0.20 -0.03 -0.16 0.42 -1.23 0.00 0.00 174.94 174.15 1ujd s THR 19 N 3.87 2.93 0.25 2.92 -4.23 -1.07 -2.25 115.64 118.06 1ujd s THR 19 Ca 0.79 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1ujd s THR 19 Cb -0.38 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1ujd s THR 19 CO 0.35 0.58 0.42 -0.60 -0.54 0.00 0.00 174.62 174.83 1ujd s ARG 20 N -0.56 3.49 0.16 3.99 3.52 -1.26 -4.03 118.95 124.26 1ujd s ARG 20 Ca 0.08 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1ujd s ARG 20 Cb -0.11 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 1ujd s ARG 20 CO 0.01 0.34 0.36 0.16 -0.81 0.00 0.00 175.30 175.36 1ujd s ASP 21 N -3.57 6.41 0.15 -2.12 1.47 -1.26 -5.00 116.67 112.75 1ujd s ASP 21 Ca 0.38 0.43 -0.32 0.00 1.18 0.00 0.00 52.55 54.21 1ujd s ASP 21 Cb -0.10 -2.02 -0.17 0.00 -0.34 0.00 0.00 42.92 40.28 1ujd s ASP 21 CO 0.31 0.02 0.83 -1.20 0.68 0.00 0.00 175.17 175.81 1ujd n SER 22 N -0.29 -0.20 0.08 2.11 7.64 -1.26 -4.83 113.62 116.86 1ujd n SER 22 Ca -0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1ujd n SER 22 Cb 0.53 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1ujd n SER 22 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ujd n LYS 23 N 1.26 0.00 0.00 1.43 3.00 -1.26 -5.03 118.16 117.56 1ujd n LYS 23 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1ujd n LYS 23 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.24 1ujd n LYS 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ujd n ASP 24 N -3.00 0.00 -4.03 3.14 2.03 -1.26 -4.83 116.55 108.60 1ujd n ASP 24 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 1ujd n ASP 24 Cb 0.00 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.64 1ujd n ASP 24 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ujd n HIS 25 N 0.00 -2.10 -1.46 -0.67 -0.00 -1.26 -4.79 115.22 104.93 1ujd n HIS 25 Ca 0.00 -0.25 0.00 0.00 0.46 0.00 0.00 57.72 57.93 1ujd n HIS 25 Cb 0.00 -1.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.33 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 -5.05 -4.95 -0.82 3.57 -1.04 -1.26 -4.94 114.28 99.80 1ujd n THR 26 Ca 0.05 2.19 -0.29 0.00 -2.04 0.00 0.00 64.05 63.96 1ujd n THR 26 Cb 0.56 -3.02 0.24 0.00 -1.82 0.00 0.00 70.33 66.29 1ujd n THR 26 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ujd s VAL 27 N -3.14 1.71 -0.88 12.58 -7.23 -1.26 -4.95 120.40 117.22 1ujd s VAL 27 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.04 1ujd s VAL 27 Cb 0.00 -2.30 0.23 0.00 0.56 0.00 0.00 36.38 34.87 1ujd s VAL 27 CO 0.00 0.00 0.83 -0.44 -0.31 0.00 0.00 175.10 175.18 1ujd s SER 28 N -3.30 6.86 0.00 4.85 0.01 -1.26 -4.93 113.70 115.93 1ujd s SER 28 Ca 0.68 -2.88 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1ujd s SER 28 Cb -0.16 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1ujd s SER 28 CO 0.59 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ujd n GLY 29 N 3.70 3.99 3.58 3.44 0.00 -1.26 -5.04 105.19 113.60 1ujd n GLY 29 Ca 0.16 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 1.00 5.07 0.48 1.61 2.47 -1.26 -4.77 114.94 119.54 1ujd s ASN 30 Ca 0.00 1.46 0.02 0.00 0.42 0.00 0.00 52.86 54.76 1ujd s ASN 30 Cb 0.00 -2.51 -0.02 0.00 -1.45 0.00 0.00 41.25 37.27 1ujd s ASN 30 CO 0.00 -2.33 0.02 -0.83 -3.72 0.00 0.00 177.10 170.24 1ujd s GLY 31 N 9.69 2.90 0.24 1.21 0.00 -1.26 -5.07 107.32 115.03 1ujd s GLY 31 Ca 0.96 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1ujd s GLY 31 CO 0.31 -2.13 0.00 1.04 0.00 0.00 0.00 173.10 172.31 1ujd n LEU 32 N -1.17 -1.08 -3.54 0.66 4.32 -1.26 -4.76 117.00 110.16 1ujd n LEU 32 Ca -0.16 1.27 -0.23 0.00 -0.02 0.00 0.00 56.01 56.87 1ujd n LEU 32 Cb 0.67 -0.76 -0.15 0.00 -1.62 0.00 0.00 43.42 41.56 1ujd n LEU 32 CO 0.39 -0.10 -0.27 -0.83 -1.22 0.00 0.00 177.39 175.35 1ujd s GLY 33 N -3.40 0.21 -0.22 -0.72 0.00 -1.26 -5.11 107.32 96.83 1ujd s GLY 33 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 1ujd s GLY 33 CO 0.00 2.00 0.52 -1.50 0.00 0.00 0.00 173.10 174.12 1ujd s ILE 34 N 2.21 -0.22 -0.42 0.90 2.07 -1.26 -3.41 121.20 121.06 1ujd s ILE 34 Ca 0.05 0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.25 1ujd s ILE 34 Cb -0.16 -0.78 0.07 0.00 0.13 0.00 0.00 42.46 41.72 1ujd s ILE 34 CO -0.16 0.03 0.29 -0.13 -1.91 0.00 0.00 174.94 173.05 1ujd s ARG 35 N 1.83 2.75 -0.20 3.50 1.81 -0.78 -4.94 118.95 122.93 1ujd s ARG 35 Ca -0.08 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 52.58 1ujd s ARG 35 Cb -0.08 -3.87 0.02 0.00 -0.45 0.00 0.00 34.95 30.57 1ujd s ARG 35 CO -0.16 -0.92 -0.15 0.42 -0.68 0.00 0.00 175.30 173.81 1ujd s ILE 36 N 1.51 2.38 -0.13 1.52 1.01 -1.26 0.18 121.20 126.41 1ujd s ILE 36 Ca 0.03 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 1ujd s ILE 36 Cb -0.23 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1ujd s ILE 36 CO 0.04 0.42 0.49 -0.69 0.00 0.00 0.00 174.94 175.21 1ujd s VAL 37 N 1.31 5.17 -0.08 2.92 1.01 0.07 -4.71 120.40 126.09 1ujd s VAL 37 Ca 0.03 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1ujd s VAL 37 Cb -0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1ujd s VAL 37 CO -0.10 0.30 -0.07 -0.83 0.00 0.00 0.00 175.10 174.40 1ujd s GLY 38 N 0.73 1.69 0.00 4.51 0.00 -1.26 -1.08 107.32 111.91 1ujd s GLY 38 Ca 0.26 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1ujd s GLY 38 CO 0.10 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.21 1ujd n GLY 39 N 2.37 1.14 3.81 0.20 0.00 0.90 0.12 105.19 113.73 1ujd n GLY 39 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.28 4.33 -0.00 1.61 2.47 -1.25 -4.74 119.74 121.87 1ujd s LYS 40 Ca 0.00 0.95 -0.30 0.00 -1.56 0.00 0.00 55.97 55.06 1ujd s LYS 40 Cb 0.00 -2.94 -0.04 0.00 -1.46 0.00 0.00 37.83 33.39 1ujd s LYS 40 CO 0.00 0.42 1.17 -2.00 0.16 0.00 0.00 175.35 175.10 1ujd s GLU 41 N -1.82 4.41 -0.20 4.03 2.12 -1.26 -1.80 118.70 124.17 1ujd s GLU 41 Ca 0.42 1.68 -0.29 0.00 0.36 0.00 0.00 54.97 57.14 1ujd s GLU 41 Cb -0.18 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1ujd s GLU 41 CO 0.22 -0.32 1.48 0.42 -0.54 0.00 0.00 175.26 176.52 1ujd s ILE 42 N 1.62 3.90 -1.22 -3.70 1.01 -0.27 -4.88 121.20 117.66 1ujd s ILE 42 Ca 0.56 1.04 -0.08 0.00 0.00 0.00 0.00 60.65 62.18 1ujd s ILE 42 Cb -0.26 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 1ujd s ILE 42 CO 0.25 -0.27 2.47 -0.81 0.00 0.00 0.00 174.94 176.58 1ujd n PRO 43 N 7.29 2.76 0.00 2.79 -0.04 -1.26 -3.03 135.00 143.51 1ujd n PRO 43 Ca 0.17 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 1ujd n PRO 43 Cb 0.45 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1ujd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujd n GLY 44 N 3.69 -0.40 3.79 0.55 0.00 -1.26 -4.93 105.19 106.64 1ujd n GLY 44 Ca 0.59 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 1ujd n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ujd s HIS 45 N -1.93 2.88 0.35 1.61 3.76 -1.17 -4.89 115.29 115.90 1ujd s HIS 45 Ca 0.00 1.52 0.15 0.00 -0.15 0.00 0.00 55.06 56.58 1ujd s HIS 45 Cb 0.00 -3.05 1.15 0.00 1.11 0.00 0.00 32.58 31.79 1ujd s HIS 45 CO 0.00 -1.30 1.62 0.77 -0.85 0.00 0.00 174.74 174.98 1ujd h SER 46 N 0.23 0.33 0.00 1.40 0.02 -2.01 -3.40 113.55 110.12 1ujd h SER 46 Ca -0.47 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ujd h SER 46 Cb 1.23 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1ujd h SER 46 CO 0.56 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 1ujd n GLY 47 N -1.30 -1.35 2.90 -3.77 0.00 -1.26 -5.12 105.19 95.30 1ujd n GLY 47 Ca 0.33 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 47.02 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 0.00 0.10 0.35 1.61 2.56 -1.26 -5.03 118.70 117.03 1ujd s GLU 48 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.97 54.76 1ujd s GLU 48 Cb 0.00 -0.01 -0.05 0.00 2.00 0.00 0.00 34.13 36.07 1ujd s GLU 48 CO 0.00 -0.00 0.65 0.96 -0.56 0.00 0.00 175.26 176.30 1ujd s ILE 49 N -0.33 4.95 0.00 -3.70 -4.36 -1.26 -1.11 121.20 115.39 1ujd s ILE 49 Ca -0.03 0.19 0.00 0.00 -0.26 0.00 0.00 60.65 60.55 1ujd s ILE 49 Cb -0.02 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.93 1ujd s ILE 49 CO -0.00 -0.47 0.00 0.61 0.24 0.00 0.00 174.94 175.32 1ujd n GLY 50 N -1.29 3.05 3.36 6.27 0.00 -0.74 -2.50 105.19 113.33 1ujd n GLY 50 Ca -0.00 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.14 -1.18 -0.02 4.61 0.00 -1.19 -0.07 121.76 122.77 1ujd s ALA 51 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 1ujd s ALA 51 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1ujd s ALA 51 CO 0.00 -0.28 0.20 1.52 0.00 0.00 0.00 175.76 177.20 1ujd s TYR 52 N -0.81 -0.09 -0.02 0.00 -0.85 -0.24 0.19 117.35 115.53 1ujd s TYR 52 Ca -0.09 0.15 -0.30 0.00 -0.52 0.00 0.00 57.07 56.31 1ujd s TYR 52 Cb -0.03 0.02 -0.06 0.00 0.38 0.00 0.00 41.96 42.27 1ujd s TYR 52 CO 0.05 -0.28 1.57 0.42 -1.52 0.00 0.00 175.55 175.79 1ujd s ILE 53 N -1.02 3.55 -0.18 -3.49 1.01 -0.44 -0.75 121.20 119.88 1ujd s ILE 53 Ca -0.11 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.13 1ujd s ILE 53 Cb -0.06 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.71 1ujd s ILE 53 CO 0.02 -0.04 0.32 0.00 0.00 0.00 0.00 174.94 175.24 1ujd h ALA 54 N 8.80 0.16 -2.40 9.38 0.00 0.16 0.58 119.26 135.94 1ujd h ALA 54 Ca -0.39 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 53.52 1ujd h ALA 54 Cb 1.18 0.49 -0.21 0.00 0.00 0.00 0.00 17.79 19.24 1ujd h ALA 54 CO 0.94 0.46 -0.11 0.21 0.00 0.00 0.00 179.25 180.75 1ujd s LYS 55 N -2.28 0.72 -0.90 0.00 2.47 -1.15 -4.71 119.74 113.89 1ujd s LYS 55 Ca -0.24 0.28 -0.18 0.00 -1.56 0.00 0.00 55.97 54.28 1ujd s LYS 55 Cb 0.03 0.34 0.15 0.00 -1.46 0.00 0.00 37.83 36.88 1ujd s LYS 55 CO 0.56 -0.17 1.05 0.42 0.16 0.00 0.00 175.35 177.37 1ujd s ILE 56 N -0.63 4.90 0.18 5.43 1.01 -1.26 -1.86 121.20 128.97 1ujd s ILE 56 Ca -0.07 -1.73 -0.29 0.00 0.00 0.00 0.00 60.65 58.56 1ujd s ILE 56 Cb -0.03 -4.71 -0.17 0.00 0.01 0.00 0.00 42.46 37.55 1ujd s ILE 56 CO 0.04 -1.41 0.56 0.18 0.00 0.00 0.00 174.94 174.31 1ujd n LEU 57 N 6.06 -1.12 -4.55 2.97 7.99 -1.22 -4.74 117.00 122.38 1ujd n LEU 57 Ca 0.21 1.12 -0.39 0.00 -0.01 0.00 0.00 56.01 56.94 1ujd n LEU 57 Cb 0.49 -0.93 -0.03 0.00 -0.11 0.00 0.00 43.42 42.83 1ujd n LEU 57 CO 0.47 -2.85 1.39 -2.16 -1.51 0.00 0.00 177.39 172.73 1ujd s PRO 58 N -0.90 2.94 0.30 3.23 0.04 -1.26 -4.50 135.00 134.84 1ujd s PRO 58 Ca 0.65 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1ujd s PRO 58 Cb -0.95 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1ujd s PRO 58 CO 0.55 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1ujd n GLY 59 N 5.76 -0.41 0.00 0.56 0.00 -1.26 -5.05 105.19 104.78 1ujd n GLY 59 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 1.32 0.80 0.07 -0.02 0.00 -1.26 -4.99 105.19 101.11 1ujd n GLY 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.15 1.61 0.02 -1.91 -3.24 113.55 110.18 1ujd h SER 61 Ca 0.00 -0.46 -0.16 0.00 -0.84 0.00 0.00 61.79 60.32 1ujd h SER 61 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1ujd h SER 61 CO 0.00 0.88 -2.01 0.00 -1.14 0.00 0.00 176.83 174.55 1ujd n ALA 62 N -2.92 2.17 0.26 3.77 0.00 -1.26 -2.60 120.51 119.94 1ujd n ALA 62 Ca -0.10 -0.81 0.15 0.00 0.00 0.00 0.00 53.44 52.68 1ujd n ALA 62 Cb 0.32 -0.59 0.63 0.00 0.00 0.00 0.00 19.45 19.82 1ujd n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ujd h GLU 63 N 0.00 0.00 0.12 0.00 4.22 -1.85 -3.15 114.58 113.92 1ujd h GLU 63 Ca -0.23 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.20 1ujd h GLU 63 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1ujd h GLU 63 CO 0.02 0.06 -0.06 1.96 -2.18 0.00 0.00 179.01 178.80 1ujd h GLN 64 N 0.00 -0.16 -0.87 1.92 4.20 -1.70 -3.31 115.11 115.19 1ujd h GLN 64 Ca -0.00 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.86 1ujd h GLN 64 Cb 0.56 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.24 1ujd h GLN 64 CO 0.01 0.29 -0.33 0.25 -0.67 0.00 0.00 178.83 178.39 1ujd n THR 65 N -4.87 -0.45 0.00 -0.54 -2.24 -1.19 -4.76 114.28 100.23 1ujd n THR 65 Ca -0.07 2.04 0.00 0.00 -2.27 0.00 0.00 64.05 63.75 1ujd n THR 65 Cb 0.26 -2.71 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 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 -1.43 2.00 0.32 3.38 0.00 -1.24 -4.73 105.19 103.49 1ujd n GLY 66 Ca 0.10 -0.40 0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -6.31 1.61 6.56 -1.87 -3.39 116.57 113.17 1ujd h LYS 67 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 1ujd h LYS 67 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1ujd h LYS 67 CO 0.00 0.00 0.24 -0.51 -2.06 0.00 0.00 179.45 177.12 1ujd s LEU 68 N -5.78 4.39 0.01 2.94 2.01 -1.26 -5.05 118.68 115.94 1ujd s LEU 68 Ca -0.04 1.50 -0.01 0.00 0.01 0.00 0.00 54.13 55.59 1ujd s LEU 68 Cb 0.10 -3.36 -0.01 0.00 0.01 0.00 0.00 46.19 42.93 1ujd s LEU 68 CO 0.33 -0.13 0.01 -0.04 1.01 0.00 0.00 176.35 177.53 1ujd s MET 69 N 0.55 0.28 0.67 1.70 -1.94 -1.26 -5.00 119.30 114.31 1ujd s MET 69 Ca 0.44 -0.44 -0.16 0.00 -1.71 0.00 0.00 55.69 53.82 1ujd s MET 69 Cb -0.20 0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.75 1ujd s MET 69 CO 0.24 -0.05 1.19 -1.21 -0.01 0.00 0.00 175.02 175.19 1ujd s GLU 70 N -1.15 2.52 0.00 2.03 2.02 -1.26 -2.52 118.70 120.34 1ujd s GLU 70 Ca -0.13 1.73 0.00 0.00 0.02 0.00 0.00 54.97 56.59 1ujd s GLU 70 Cb -0.08 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.27 1ujd s GLU 70 CO -0.00 -1.54 0.00 0.41 0.02 0.00 0.00 175.26 174.15 1ujd n GLY 71 N 0.29 1.38 3.69 -1.39 0.00 0.19 -4.85 105.19 104.50 1ujd n GLY 71 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.04 4.32 -0.53 1.61 -1.94 -1.05 0.17 119.30 121.84 1ujd s MET 72 Ca 0.00 1.85 -0.28 0.00 -1.71 0.00 0.00 55.69 55.56 1ujd s MET 72 Cb 0.00 -3.55 -0.00 0.00 2.01 0.00 0.00 34.83 33.29 1ujd s MET 72 CO 0.00 -0.51 1.61 -1.14 -0.01 0.00 0.00 175.02 174.97 1ujd s GLN 73 N 2.23 3.13 -0.37 2.03 0.74 -1.26 -1.33 119.66 124.82 1ujd s GLN 73 Ca 0.61 0.70 -0.29 0.00 0.05 0.00 0.00 55.36 56.43 1ujd s GLN 73 Cb -0.29 -4.21 -0.00 0.00 1.10 0.00 0.00 33.01 29.61 1ujd s GLN 73 CO 0.25 -2.13 1.56 0.08 -0.55 0.00 0.00 175.29 174.50 1ujd s VAL 74 N 7.04 3.74 -0.09 1.34 1.01 0.50 -2.57 120.40 131.37 1ujd s VAL 74 Ca 0.62 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 63.26 1ujd s VAL 74 Cb -0.14 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 1ujd s VAL 74 CO 0.26 -0.60 0.35 -0.07 0.00 0.00 0.00 175.10 175.03 1ujd h LEU 75 N 12.68 -0.11 -8.53 3.92 3.38 -0.04 -3.32 115.31 123.29 1ujd h LEU 75 Ca -0.30 -0.19 -0.33 0.00 0.09 0.00 0.00 57.88 57.15 1ujd h LEU 75 Cb 1.13 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.74 1ujd h LEU 75 CO 1.06 0.45 -0.73 -1.61 0.09 0.00 0.00 178.44 177.71 1ujd s GLU 76 N -2.24 0.93 -0.17 1.13 2.02 -0.84 -2.31 118.70 117.21 1ujd s GLU 76 Ca -0.06 -1.27 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 1ujd s GLU 76 Cb -0.00 -0.58 0.08 0.00 0.10 0.00 0.00 34.13 33.73 1ujd s GLU 76 CO 0.21 0.08 0.24 -0.46 0.02 0.00 0.00 175.26 175.35 1ujd s TRP 77 N -2.76 -0.35 -1.56 1.61 -0.11 0.03 -1.41 118.94 114.38 1ujd s TRP 77 Ca 0.10 0.51 -0.03 0.00 1.22 0.00 0.00 56.10 57.90 1ujd s TRP 77 Cb -0.01 -0.23 0.00 0.00 -1.50 0.00 0.00 33.47 31.73 1ujd s TRP 77 CO 0.00 -0.51 0.37 0.09 -4.62 0.00 0.00 176.95 172.28 1ujd n ASN 78 N 5.33 -5.82 0.00 5.86 4.13 -1.07 -2.14 115.26 121.55 1ujd n ASN 78 Ca -0.05 -0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1ujd n ASN 78 Cb 0.50 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.02 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ujd n GLY 79 N -1.32 2.14 3.67 7.41 0.00 -1.26 -4.97 105.19 110.86 1ujd n GLY 79 Ca -0.16 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.13 3.40 0.61 -0.61 1.09 -0.91 -4.94 121.20 119.71 1ujd s ILE 80 Ca 0.00 0.62 -0.15 0.00 -1.10 0.00 0.00 60.65 60.02 1ujd s ILE 80 Cb 0.00 -3.40 -0.03 0.00 -1.06 0.00 0.00 42.46 37.97 1ujd s ILE 80 CO 0.00 -0.04 1.05 -2.16 -0.10 0.00 0.00 174.94 173.69 1ujd s PRO 81 N 3.55 3.29 -0.32 2.79 0.04 -1.26 -0.79 135.00 142.30 1ujd s PRO 81 Ca 0.74 1.12 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1ujd s PRO 81 Cb -0.36 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.61 1ujd s PRO 81 CO 0.31 -0.83 1.35 1.28 0.04 0.00 0.00 177.00 179.15 1ujd n LEU 82 N -2.27 4.59 -4.60 -3.56 4.77 -0.98 -4.87 117.00 110.08 1ujd n LEU 82 Ca 0.08 -4.31 -0.34 0.00 -0.03 0.00 0.00 56.01 51.41 1ujd n LEU 82 Cb 0.53 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1ujd n LEU 82 CO 0.49 1.71 -0.35 -0.89 -1.33 0.00 0.00 177.39 177.02 1ujd s THR 83 N -4.03 3.94 -0.86 -5.08 2.01 -1.26 -3.17 115.64 107.18 1ujd s THR 83 Ca 0.48 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 1ujd s THR 83 Cb 0.41 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1ujd s THR 83 CO 0.00 0.58 0.18 -0.24 -0.69 0.00 0.00 174.62 174.46 1ujd n SER 84 N 2.41 -3.78 0.00 3.53 2.88 -1.04 -5.00 113.62 112.62 1ujd n SER 84 Ca -0.18 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1ujd n SER 84 Cb 0.53 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 61.17 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 -2.28 3.21 -4.02 -1.46 4.76 -1.26 -5.10 118.16 112.01 1ujd n LYS 85 Ca -0.09 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.26 1ujd n LYS 85 Cb 0.58 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.68 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 0.77 0.14 0.14 -0.18 -4.23 -1.26 -4.41 115.64 106.61 1ujd s THR 86 Ca 0.00 -1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 58.64 1ujd s THR 86 Cb 0.00 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 1ujd s THR 86 CO 0.00 -0.62 1.42 0.00 -0.54 0.00 0.00 174.62 174.88 1ujd n TYR 87 N -0.05 -0.39 0.00 3.99 4.19 0.32 0.23 117.16 125.44 1ujd n TYR 87 Ca -0.11 1.11 0.00 0.00 3.31 0.00 0.00 57.90 62.22 1ujd n TYR 87 Cb 0.62 -0.57 0.00 0.00 0.49 0.00 0.00 39.34 39.88 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 -5.06 0.00 -0.12 2.98 1.02 -1.26 -0.21 120.64 117.99 1ujd n GLU 88 Ca 0.02 0.67 -0.03 0.00 -0.02 0.00 0.00 57.16 57.80 1ujd n GLU 88 Cb 0.23 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.27 -0.13 -0.34 3.49 4.71 -0.80 -0.72 120.64 124.58 1ujd n GLU 89 Ca 0.00 1.09 -0.10 0.00 -0.01 0.00 0.00 57.16 58.14 1ujd n GLU 89 Cb 0.00 -1.62 -0.09 0.00 -1.01 0.00 0.00 31.44 28.72 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ujd h VAL 90 N 0.00 0.00 -0.52 2.62 2.07 -0.13 -0.02 116.25 120.27 1ujd h VAL 90 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1ujd h VAL 90 Cb 0.12 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.82 1ujd h VAL 90 CO -0.28 0.00 -0.35 -0.61 0.02 0.00 0.00 177.57 176.35 1ujd h GLN 91 N -0.04 -0.06 -0.91 1.57 4.15 0.17 0.25 115.11 120.23 1ujd h GLN 91 Ca 0.13 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.72 1ujd h GLN 91 Cb 0.38 0.01 -0.16 0.00 0.21 0.00 0.00 27.48 27.92 1ujd h GLN 91 CO -0.80 -0.04 -0.29 1.03 -1.93 0.00 0.00 178.83 176.80 1ujd h SER 92 N -0.06 -1.08 -0.96 -0.69 0.87 0.82 2.76 113.55 115.20 1ujd h SER 92 Ca 0.08 0.28 0.15 0.00 -1.23 0.00 0.00 61.79 61.08 1ujd h SER 92 Cb 0.28 0.63 -0.09 0.00 -0.44 0.00 0.00 62.40 62.78 1ujd h SER 92 CO -0.52 -0.30 0.58 0.40 -0.53 0.00 0.00 176.83 176.46 1ujd h ILE 93 N -0.02 0.80 0.05 2.23 2.04 0.95 -2.95 117.51 120.61 1ujd h ILE 93 Ca 0.39 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1ujd h ILE 93 Cb 0.64 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ujd h ILE 93 CO -0.94 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 177.74 1ujd h ILE 94 N 0.82 0.00 -0.85 -0.67 2.04 0.45 -3.42 117.51 115.88 1ujd h ILE 94 Ca 0.52 -0.63 -0.23 0.00 1.00 0.00 0.00 64.86 65.52 1ujd h ILE 94 Cb 0.67 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1ujd h ILE 94 CO -0.33 0.00 0.66 -0.44 0.00 0.00 0.00 178.15 178.04 1ujd s SER 95 N -4.62 4.60 0.00 1.72 0.01 0.79 -3.11 113.70 113.09 1ujd s SER 95 Ca -0.01 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1ujd s SER 95 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ujd s SER 95 CO 0.03 -3.14 0.00 0.00 0.41 0.00 0.00 173.24 170.54 1ujd n GLN 96 N 8.90 0.00 -0.50 12.44 6.02 -1.25 -4.58 117.38 138.42 1ujd n GLN 96 Ca 0.40 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 57.15 1ujd n GLN 96 Cb 0.47 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.92 1ujd n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujd n GLN 97 N 0.00 -2.65 -3.77 -1.09 -0.00 -1.18 -5.05 117.38 103.65 1ujd n GLN 97 Ca 0.00 -0.78 -0.13 0.00 -0.00 0.00 0.00 57.00 56.09 1ujd n GLN 97 Cb 0.00 -1.63 -0.08 0.00 -0.00 0.00 0.00 30.24 28.53 1ujd n GLN 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ujd s SER 98 N -2.17 -0.16 0.45 2.61 0.15 -1.26 -4.89 113.70 108.44 1ujd s SER 98 Ca 0.47 0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1ujd s SER 98 Cb -0.09 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1ujd s SER 98 CO 0.46 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1ujd n GLY 99 N 1.13 -1.34 3.34 9.45 0.00 -1.26 -4.69 105.19 111.82 1ujd n GLY 99 Ca -0.21 -0.92 -0.51 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.06 0.00 -4.42 1.61 0.00 -1.26 -4.93 120.64 108.58 1ujd n GLU 100 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.93 1ujd n GLU 100 Cb 0.39 -1.18 -0.08 0.00 0.00 0.00 0.00 31.44 30.57 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 -0.56 2.54 0.18 -1.84 0.00 -0.95 -4.92 121.76 116.21 1ujd s ALA 101 Ca 0.73 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1ujd s ALA 101 Cb -1.04 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1ujd s ALA 101 CO 0.55 -0.49 0.33 -1.21 0.00 0.00 0.00 175.76 174.94 1ujd s GLU 102 N -3.54 3.46 0.03 0.00 8.01 -1.26 0.15 118.70 125.55 1ujd s GLU 102 Ca 0.30 -0.55 -0.01 0.00 0.01 0.00 0.00 54.97 54.72 1ujd s GLU 102 Cb 0.02 -2.91 -0.03 0.00 -4.31 0.00 0.00 34.13 26.90 1ujd s GLU 102 CO 0.21 0.46 -0.02 0.42 0.01 0.00 0.00 175.26 176.34 1ujd s ILE 103 N -1.83 0.15 -0.30 -1.63 -1.09 -0.99 -2.59 121.20 112.92 1ujd s ILE 103 Ca 0.36 -1.28 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1ujd s ILE 103 Cb -0.11 -0.79 0.15 0.00 -1.58 0.00 0.00 42.46 40.13 1ujd s ILE 103 CO 0.29 -0.70 0.38 0.00 -1.23 0.00 0.00 174.94 173.67 1ujd s VAL 105 N 2.33 2.26 -0.06 0.00 -7.23 -1.24 0.65 120.40 117.10 1ujd s VAL 105 Ca 0.11 -2.32 -0.19 0.00 -1.81 0.00 0.00 61.98 57.76 1ujd s VAL 105 Cb -0.13 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 1ujd s VAL 105 CO -0.27 -0.40 0.54 -0.60 -0.31 0.00 0.00 175.10 174.07 1ujd s ARG 106 N -3.56 4.31 0.01 4.82 3.52 -1.06 -2.26 118.95 124.72 1ujd s ARG 106 Ca 0.29 0.60 -0.24 0.00 -0.13 0.00 0.00 55.73 56.26 1ujd s ARG 106 Cb -0.02 -3.39 -0.13 0.00 -1.56 0.00 0.00 34.95 29.85 1ujd s ARG 106 CO 0.14 0.27 1.09 -0.07 -0.81 0.00 0.00 175.30 175.91 1ujd h LEU 107 N 6.17 -0.72-10.38 -0.88 3.38 -1.10 -3.42 115.31 108.35 1ujd h LEU 107 Ca -0.43 0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.06 1ujd h LEU 107 Cb 1.19 0.19 0.06 0.00 0.09 0.00 0.00 40.66 42.19 1ujd h LEU 107 CO 0.72 -0.40 0.38 -0.62 0.09 0.00 0.00 178.44 178.61 1ujd s ASP 108 N -4.09 6.05 0.16 -0.43 2.15 -1.24 -4.85 116.67 114.42 1ujd s ASP 108 Ca -0.12 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1ujd s ASP 108 Cb 0.01 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1ujd s ASP 108 CO 0.37 -0.95 0.00 -0.11 -0.17 0.00 0.00 175.17 174.31 1ujd n LEU 109 N -2.75 -4.15 -3.92 -1.34 0.00 -1.26 -4.95 117.00 98.62 1ujd n LEU 109 Ca 0.06 1.62 -0.12 0.00 0.00 0.00 0.00 56.01 57.56 1ujd n LEU 109 Cb 0.55 -1.34 -0.13 0.00 0.00 0.00 0.00 43.42 42.50 1ujd n LEU 109 CO 0.57 -0.47 -0.37 0.54 0.00 0.00 0.00 177.39 177.66 1ujd s ASN 110 N -1.14 0.19 -0.36 1.96 2.20 -1.26 -4.57 114.94 111.96 1ujd s ASN 110 Ca 0.00 -0.17 -0.21 0.00 -0.94 0.00 0.00 52.86 51.54 1ujd s ASN 110 Cb 0.00 0.02 0.01 0.00 -2.00 0.00 0.00 41.25 39.27 1ujd s ASN 110 CO 0.00 -0.08 0.66 -0.04 -2.94 0.00 0.00 177.10 174.70 1ujd s MET 111 N -0.48 3.67 -0.07 3.55 -1.94 0.45 -4.92 119.30 119.56 1ujd s MET 111 Ca -0.04 0.08 -0.07 0.00 -1.71 0.00 0.00 55.69 53.94 1ujd s MET 111 Cb -0.03 -3.82 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 1ujd s MET 111 CO -0.00 -0.77 -0.14 0.43 -0.01 0.00 0.00 175.02 174.52 1ujd n SER 112 N 6.13 0.81 0.00 3.03 7.64 -1.26 -4.23 113.62 125.74 1ujd n SER 112 Ca -0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ujd n SER 112 Cb 0.48 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1ujd n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 113 N 1.56 0.22 3.81 0.23 0.00 -1.26 -4.85 105.19 104.90 1ujd n GLY 113 Ca -0.06 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 3.41 -0.32 1.61 0.04 -1.26 -5.05 135.00 133.43 1ujd s PRO 114 Ca 0.00 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1ujd s PRO 114 Cb 0.00 -2.05 0.12 0.00 0.04 0.00 0.00 34.50 32.61 1ujd s PRO 114 CO 0.00 -0.73 0.16 -1.12 0.04 0.00 0.00 177.00 175.35 1ujd s SER 115 N -2.80 3.40 0.00 6.66 0.01 -1.26 -4.94 113.70 114.77 1ujd s SER 115 Ca 0.63 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1ujd s SER 115 Cb -0.15 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1ujd s SER 115 CO 0.36 -0.38 0.00 -1.20 0.41 0.00 0.00 173.24 172.43 1ujd n SER 116 N 4.66 0.00 0.00 2.44 7.64 -1.26 -5.32 113.62 121.78 1ujd n SER 116 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ujd n SER 116 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1ujd n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64