#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 -0.31 0.08 1.61 0.15 -1.26 -5.17 113.70 108.80 1ujd s SER 2 Ca 0.00 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 1ujd s SER 2 Cb 0.00 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1ujd s SER 2 CO 0.00 -0.18 0.24 -0.55 1.20 0.00 0.00 173.24 173.96 1ujd s SER 3 N -0.37 6.38 0.00 5.45 0.15 -1.26 -4.84 113.70 119.21 1ujd s SER 3 Ca 0.03 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1ujd s SER 3 Cb -0.03 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1ujd s SER 3 CO -0.06 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1ujd n GLY 4 N 0.20 0.72 5.00 9.45 0.00 -1.26 -5.02 105.19 114.28 1ujd n GLY 4 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1ujd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujd n SER 5 N 0.00 0.00 -2.82 1.61 2.88 -1.26 -4.70 113.62 109.33 1ujd n SER 5 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1ujd n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ujd n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujd n SER 6 N 3.55 -7.87 -3.97 -3.46 7.64 -1.26 -4.98 113.62 103.27 1ujd n SER 6 Ca 0.00 1.03 -0.30 0.00 1.01 0.00 0.00 58.87 60.61 1ujd n SER 6 Cb 0.00 -5.05 -0.14 0.00 -1.01 0.00 0.00 64.21 58.01 1ujd n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujd s GLY 7 N -1.92 2.35 -0.18 0.23 0.00 -1.26 -5.04 107.32 101.49 1ujd s GLY 7 Ca 0.10 -3.13 -0.07 0.00 0.00 0.00 0.00 44.72 41.62 1ujd s GLY 7 CO 0.74 1.00 0.39 -1.58 0.00 0.00 0.00 173.10 173.65 1ujd s HIS 8 N -0.05 -0.70 1.28 1.90 2.46 -1.26 -5.16 115.29 113.76 1ujd s HIS 8 Ca 0.16 1.38 -0.16 0.00 0.47 0.00 0.00 55.06 56.90 1ujd s HIS 8 Cb -0.25 0.23 0.32 0.00 -0.13 0.00 0.00 32.58 32.76 1ujd s HIS 8 CO -0.02 -0.44 0.98 0.71 -2.47 0.00 0.00 174.74 173.51 1ujd s TYR 9 N 2.41 0.60 -0.56 3.88 2.02 -1.26 -4.90 117.35 119.54 1ujd s TYR 9 Ca -0.02 0.94 0.25 0.00 -0.37 0.00 0.00 57.07 57.88 1ujd s TYR 9 Cb -0.12 -3.01 0.70 0.00 -0.40 0.00 0.00 41.96 39.14 1ujd s TYR 9 CO -0.12 -4.37 1.73 -0.84 -1.57 0.00 0.00 175.55 170.38 1ujd h ILE 10 N -2.98 0.00 -2.03 2.71 3.07 -2.05 -3.45 117.51 112.78 1ujd h ILE 10 Ca -0.56 -0.64 -0.53 0.00 1.55 0.00 0.00 64.86 64.68 1ujd h ILE 10 Cb 1.34 1.62 -0.07 0.00 -0.27 0.00 0.00 36.82 39.44 1ujd h ILE 10 CO 0.43 0.00 -0.54 0.72 -1.05 0.00 0.00 178.15 177.71 1ujd s PHE 11 N -3.19 2.85 -0.15 0.16 -0.12 -1.26 -5.08 117.98 111.18 1ujd s PHE 11 Ca 0.08 -0.26 -0.29 0.00 -0.05 0.00 0.00 56.93 56.41 1ujd s PHE 11 Cb 0.09 -1.51 -0.02 0.00 -0.63 0.00 0.00 43.02 40.96 1ujd s PHE 11 CO 0.60 0.42 1.27 -1.25 -0.05 0.00 0.00 175.22 176.21 1ujd s PRO 12 N -3.83 4.24 0.28 1.99 0.04 -1.26 -5.00 135.00 131.45 1ujd s PRO 12 Ca 0.36 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1ujd s PRO 12 Cb -0.05 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1ujd s PRO 12 CO 0.23 -0.69 0.16 -3.38 0.04 0.00 0.00 177.00 173.36 1ujd s HIS 13 N 3.41 1.51 -0.21 0.56 -3.43 -1.26 -0.30 115.29 115.56 1ujd s HIS 13 Ca 0.55 -1.39 -0.16 0.00 -0.80 0.00 0.00 55.06 53.26 1ujd s HIS 13 Cb -0.22 -0.77 0.06 0.00 -1.43 0.00 0.00 32.58 30.21 1ujd s HIS 13 CO 0.16 -0.58 0.54 0.00 -2.00 0.00 0.00 174.74 172.86 1ujd s ALA 14 N -3.74 -1.38 -0.74 -1.38 0.00 -1.23 -4.83 121.76 108.46 1ujd s ALA 14 Ca 0.37 1.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.99 1ujd s ALA 14 Cb 0.05 -1.00 0.19 0.00 0.00 0.00 0.00 23.12 22.36 1ujd s ALA 14 CO 0.17 -0.28 0.61 1.03 0.00 0.00 0.00 175.76 177.28 1ujd s ARG 15 N 0.79 3.00 -0.17 0.00 0.52 -1.26 -3.59 118.95 118.23 1ujd s ARG 15 Ca -0.04 -2.71 -0.11 0.00 -0.52 0.00 0.00 55.73 52.35 1ujd s ARG 15 Cb -0.05 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.42 1ujd s ARG 15 CO -0.06 -1.22 0.18 0.42 0.02 0.00 0.00 175.30 174.64 1ujd s ILE 16 N -0.35 5.38 0.43 1.52 -1.09 -1.22 -4.98 121.20 120.89 1ujd s ILE 16 Ca 0.20 0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1ujd s ILE 16 Cb -0.15 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1ujd s ILE 16 CO -0.07 0.45 0.69 -1.59 -1.23 0.00 0.00 174.94 173.20 1ujd s LYS 17 N 0.19 3.53 -0.12 2.79 -2.85 -1.26 -2.78 119.74 119.24 1ujd s LYS 17 Ca 0.12 0.01 -0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1ujd s LYS 17 Cb -0.12 -2.49 0.02 0.00 -2.06 0.00 0.00 37.83 33.19 1ujd s LYS 17 CO 0.01 -0.06 -0.09 0.42 0.10 0.00 0.00 175.35 175.72 1ujd s ILE 18 N -2.57 1.14 -0.03 3.79 1.01 0.49 -4.97 121.20 120.07 1ujd s ILE 18 Ca 0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 1ujd s ILE 18 Cb -0.10 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1ujd s ILE 18 CO 0.41 0.38 0.13 0.42 0.00 0.00 0.00 174.94 176.29 1ujd s THR 19 N 1.57 5.15 -0.24 2.92 -4.23 -1.26 0.11 115.64 119.66 1ujd s THR 19 Ca 0.03 -0.20 -0.22 0.00 -1.18 0.00 0.00 61.69 60.13 1ujd s THR 19 Cb -0.13 -3.36 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 1ujd s THR 19 CO -0.08 0.39 0.69 -0.60 -0.54 0.00 0.00 174.62 174.49 1ujd s ARG 20 N -1.69 4.15 0.01 3.99 3.52 -1.26 -4.55 118.95 123.12 1ujd s ARG 20 Ca 0.23 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 1ujd s ARG 20 Cb -0.12 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 1ujd s ARG 20 CO 0.14 -0.41 0.00 -3.47 -0.81 0.00 0.00 175.30 170.75 1ujd n ASP 21 N 5.66 -0.05 -2.43 -2.12 -0.08 -1.26 -4.91 116.55 111.35 1ujd n ASP 21 Ca 0.01 0.14 -0.02 0.00 -1.51 0.00 0.00 54.79 53.41 1ujd n ASP 21 Cb 0.49 0.19 -0.01 0.00 2.34 0.00 0.00 41.12 44.12 1ujd n ASP 21 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1ujd n SER 22 N -1.93 -5.89 -3.22 1.67 7.64 -1.26 -4.58 113.62 106.05 1ujd n SER 22 Ca 0.00 1.60 -0.13 0.00 1.01 0.00 0.00 58.87 61.35 1ujd n SER 22 Cb 0.00 -4.70 0.01 0.00 -1.01 0.00 0.00 64.21 58.51 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 1.87 -1.33 -2.68 1.43 4.81 -1.26 -4.81 118.16 116.19 1ujd n LYS 23 Ca -0.12 1.31 -0.43 0.00 -0.87 0.00 0.00 58.31 58.20 1ujd n LYS 23 Cb 0.19 -2.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.06 1ujd n LYS 23 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ujd s ASP 24 N -1.34 6.81 0.37 3.14 2.15 -1.26 -4.59 116.67 121.96 1ujd s ASP 24 Ca 0.14 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.95 1ujd s ASP 24 Cb -0.02 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ujd s ASP 24 CO 0.43 -0.94 0.00 1.57 -0.17 0.00 0.00 175.17 176.07 1ujd n HIS 25 N 7.01 -4.16 0.00 -5.34 -0.00 -1.26 -5.06 115.22 106.40 1ujd n HIS 25 Ca 0.11 1.25 0.00 0.00 0.46 0.00 0.00 57.72 59.54 1ujd n HIS 25 Cb 0.48 3.18 0.00 0.00 -0.12 0.00 0.00 29.99 33.52 1ujd n HIS 25 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1ujd n THR 26 N -3.26 0.00 -1.58 3.57 5.66 -1.26 -5.13 114.28 112.28 1ujd n THR 26 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1ujd n THR 26 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1ujd n THR 26 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1ujd n VAL 27 N -2.34 2.45 -3.80 1.08 0.24 -1.26 -5.00 118.33 109.70 1ujd n VAL 27 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1ujd n VAL 27 Cb 0.00 -1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 31.23 1ujd n VAL 27 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ujd s SER 28 N -0.83 -0.15 0.00 -1.34 0.15 -1.26 -4.94 113.70 105.33 1ujd s SER 28 Ca 0.65 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1ujd s SER 28 Cb -0.55 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1ujd s SER 28 CO 0.56 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1ujd n GLY 29 N 1.89 2.44 3.76 9.45 0.00 -1.26 -5.10 105.19 116.37 1ujd n GLY 29 Ca -0.19 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1ujd n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ujd s ASN 30 N 0.00 7.27 0.00 1.61 -0.87 -1.26 -4.94 114.94 116.75 1ujd s ASN 30 Ca 0.00 1.51 0.00 0.00 -1.57 0.00 0.00 52.86 52.80 1ujd s ASN 30 Cb 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 1ujd s ASN 30 CO 0.00 0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.22 1ujd n GLY 31 N 2.13 0.87 0.00 0.66 0.00 -1.26 -4.51 105.19 103.07 1ujd n GLY 31 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.62 0.99 4.32 -1.26 -2.11 117.00 116.32 1ujd n LEU 32 Ca 0.00 0.88 -0.06 0.00 -0.02 0.00 0.00 56.01 56.81 1ujd n LEU 32 Cb 0.00 -0.38 0.01 0.00 -1.62 0.00 0.00 43.42 41.43 1ujd n LEU 32 CO 0.00 -0.38 -0.03 0.61 -1.22 0.00 0.00 177.39 176.37 1ujd n GLY 33 N -0.99 -1.69 3.38 -0.72 0.00 -1.26 -2.35 105.19 101.57 1ujd n GLY 33 Ca 0.00 0.94 -0.09 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.20 -0.08 -0.27 -0.61 2.07 -1.26 -2.64 121.20 116.21 1ujd s ILE 34 Ca 0.18 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1ujd s ILE 34 Cb -0.05 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.82 1ujd s ILE 34 CO 0.65 0.03 0.03 -0.13 -1.91 0.00 0.00 174.94 173.60 1ujd s ARG 35 N 1.58 3.03 -0.04 3.50 1.81 -0.79 -4.96 118.95 123.08 1ujd s ARG 35 Ca -0.09 -0.88 0.06 0.00 -1.72 0.00 0.00 55.73 53.10 1ujd s ARG 35 Cb -0.08 -3.22 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 1ujd s ARG 35 CO -0.15 -0.41 -0.21 0.42 -0.68 0.00 0.00 175.30 174.27 1ujd s ILE 36 N 1.44 2.44 -0.20 1.52 1.01 -1.26 0.79 121.20 126.94 1ujd s ILE 36 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1ujd s ILE 36 Cb -0.17 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1ujd s ILE 36 CO -0.00 0.58 -0.15 -0.69 0.00 0.00 0.00 174.94 174.68 1ujd s VAL 37 N -0.52 2.37 0.00 2.92 1.01 -0.24 -4.85 120.40 121.08 1ujd s VAL 37 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ujd s VAL 37 Cb -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1ujd s VAL 37 CO 0.01 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1ujd n GLY 38 N 4.64 0.09 4.22 4.51 0.00 -1.26 -2.28 105.19 115.11 1ujd n GLY 38 Ca -0.20 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 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 5.00 -0.20 3.12 -0.02 0.00 -0.09 -4.13 105.19 108.87 1ujd n GLY 39 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -7.23 2.36 0.24 1.61 2.20 -0.74 -4.84 119.74 113.35 1ujd s LYS 40 Ca 0.06 -0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 54.72 1ujd s LYS 40 Cb -0.03 -1.85 -0.13 0.00 -1.51 0.00 0.00 37.83 34.30 1ujd s LYS 40 CO 0.95 0.09 1.45 -1.91 -0.36 0.00 0.00 175.35 175.58 1ujd n GLU 41 N 3.72 2.17 -3.61 4.03 2.13 -1.26 -0.38 120.64 127.42 1ujd n GLU 41 Ca -0.21 0.77 -0.36 0.00 0.66 0.00 0.00 57.16 58.02 1ujd n GLU 41 Cb 0.52 -2.46 -0.08 0.00 0.27 0.00 0.00 31.44 29.69 1ujd n GLU 41 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ujd s ILE 42 N 0.02 5.34 0.01 6.31 1.01 0.53 -4.86 121.20 129.56 1ujd s ILE 42 Ca 0.68 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 1ujd s ILE 42 Cb -0.62 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1ujd s ILE 42 CO 0.49 0.39 1.19 -2.16 0.00 0.00 0.00 174.94 174.84 1ujd s PRO 43 N 0.62 4.40 0.00 2.79 0.04 -1.26 -3.14 135.00 138.45 1ujd s PRO 43 Ca 0.12 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1ujd s PRO 43 Cb -0.12 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1ujd s PRO 43 CO 0.02 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1ujd n GLY 44 N 3.27 2.19 3.79 0.56 0.00 -1.26 -4.98 105.19 108.77 1ujd n GLY 44 Ca 0.10 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.09 3.78 0.39 1.61 3.76 -1.19 -4.92 115.29 117.63 1ujd s HIS 45 Ca 0.00 1.60 0.23 0.00 -0.15 0.00 0.00 55.06 56.74 1ujd s HIS 45 Cb 0.00 -2.76 1.34 0.00 1.11 0.00 0.00 32.58 32.27 1ujd s HIS 45 CO 0.00 0.39 1.60 1.03 -0.85 0.00 0.00 174.74 176.91 1ujd h SER 46 N 3.76 0.32 0.00 1.40 0.87 -1.98 -3.39 113.55 114.53 1ujd h SER 46 Ca -0.47 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1ujd h SER 46 Cb 1.20 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1ujd h SER 46 CO 0.66 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 1ujd n GLY 47 N -1.35 -1.73 3.10 5.77 0.00 -1.26 -5.12 105.19 104.59 1ujd n GLY 47 Ca 0.37 0.80 -0.22 0.00 0.00 0.00 0.00 46.02 46.98 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 1.10 0.21 1.61 2.56 -1.26 -5.02 118.70 117.91 1ujd s GLU 48 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.97 54.37 1ujd s GLU 48 Cb 0.00 -1.06 -0.07 0.00 2.00 0.00 0.00 34.13 35.00 1ujd s GLU 48 CO 0.00 0.29 0.53 0.96 -0.56 0.00 0.00 175.26 176.48 1ujd s ILE 49 N -0.35 4.96 0.00 -3.70 -4.36 -1.26 -0.35 121.20 116.14 1ujd s ILE 49 Ca 0.05 0.44 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 1ujd s ILE 49 Cb -0.05 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.03 1ujd s ILE 49 CO -0.00 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1ujd n GLY 50 N -0.06 3.91 3.02 6.27 0.00 0.48 -0.52 105.19 118.29 1ujd n GLY 50 Ca -0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.34 0.50 0.13 4.61 0.00 -0.90 -0.91 121.76 123.84 1ujd s ALA 51 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1ujd s ALA 51 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1ujd s ALA 51 CO 0.00 0.01 0.23 1.52 0.00 0.00 0.00 175.76 177.52 1ujd s TYR 52 N -0.99 0.30 -0.64 0.00 1.13 -0.97 0.14 117.35 116.32 1ujd s TYR 52 Ca -0.07 -0.69 -0.27 0.00 -1.41 0.00 0.00 57.07 54.62 1ujd s TYR 52 Cb -0.07 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.73 1ujd s TYR 52 CO 0.00 -0.62 1.35 0.42 -2.51 0.00 0.00 175.55 174.19 1ujd s ILE 53 N -3.92 3.78 0.04 -3.49 1.01 -1.20 -1.08 121.20 116.34 1ujd s ILE 53 Ca 0.11 0.59 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 1ujd s ILE 53 Cb 0.04 -4.65 -0.18 0.00 0.01 0.00 0.00 42.46 37.69 1ujd s ILE 53 CO -0.05 -1.45 1.41 0.00 0.00 0.00 0.00 174.94 174.85 1ujd h ALA 54 N 10.63 -0.93 -2.24 9.38 0.00 0.04 0.18 119.26 136.33 1ujd h ALA 54 Ca -0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1ujd h ALA 54 Cb 1.07 0.36 -0.22 0.00 0.00 0.00 0.00 17.79 19.00 1ujd h ALA 54 CO 1.22 -0.96 -0.01 0.21 0.00 0.00 0.00 179.25 179.71 1ujd s LYS 55 N -5.45 0.69 -0.11 0.00 2.47 -1.14 -4.53 119.74 111.66 1ujd s LYS 55 Ca -0.17 0.91 -0.18 0.00 -1.56 0.00 0.00 55.97 54.98 1ujd s LYS 55 Cb 0.02 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.64 1ujd s LYS 55 CO 0.55 -0.10 0.46 0.42 0.16 0.00 0.00 175.35 176.84 1ujd s ILE 56 N 0.61 5.18 0.62 5.43 1.01 -1.26 -1.89 121.20 130.91 1ujd s ILE 56 Ca -0.02 0.92 -0.18 0.00 0.00 0.00 0.00 60.65 61.37 1ujd s ILE 56 Cb -0.05 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ujd s ILE 56 CO -0.03 0.35 1.01 0.18 0.00 0.00 0.00 174.94 176.44 1ujd n LEU 57 N 3.55 4.08 -4.71 2.97 7.99 -1.08 -4.91 117.00 124.88 1ujd n LEU 57 Ca -0.08 0.79 -0.42 0.00 -0.01 0.00 0.00 56.01 56.29 1ujd n LEU 57 Cb 0.52 -1.41 -0.03 0.00 -0.11 0.00 0.00 43.42 42.38 1ujd n LEU 57 CO 0.43 -1.77 0.86 -2.16 -1.51 0.00 0.00 177.39 173.23 1ujd s PRO 58 N -2.91 4.45 -0.94 3.23 0.04 -1.26 -3.22 135.00 134.39 1ujd s PRO 58 Ca 0.78 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 63.48 1ujd s PRO 58 Cb -0.40 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 30.78 1ujd s PRO 58 CO 0.46 -0.23 0.82 0.41 0.04 0.00 0.00 177.00 178.50 1ujd n GLY 59 N 3.18 -0.09 3.94 0.56 0.00 -1.26 -5.02 105.19 106.49 1ujd n GLY 59 Ca 0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1ujd n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ujd s GLY 60 N -3.25 2.07 0.23 -0.02 0.00 -1.20 -4.86 107.32 100.28 1ujd s GLY 60 Ca 0.39 -1.79 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 1ujd s GLY 60 CO 0.51 -1.68 1.59 1.76 0.00 0.00 0.00 173.10 175.27 1ujd h SER 61 N 0.76 0.54 -0.68 1.64 0.02 -1.03 0.54 113.55 115.35 1ujd h SER 61 Ca -0.39 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.29 1ujd h SER 61 Cb 1.28 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1ujd h SER 61 CO 0.52 0.91 0.32 0.00 -1.14 0.00 0.00 176.83 177.44 1ujd h ALA 62 N 1.12 1.25 0.01 3.77 0.00 -1.77 -0.41 119.26 123.24 1ujd h ALA 62 Ca 0.03 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1ujd h ALA 62 Cb 0.93 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ujd h ALA 62 CO 0.08 0.57 -0.98 1.49 0.00 0.00 0.00 179.25 180.41 1ujd h GLU 63 N 0.99 0.04 -0.42 0.00 4.22 -1.77 -3.28 114.58 114.36 1ujd h GLU 63 Ca 0.24 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.58 1ujd h GLU 63 Cb 0.12 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1ujd h GLU 63 CO -0.03 0.98 0.14 1.96 -2.18 0.00 0.00 179.01 179.88 1ujd h GLN 64 N 0.02 0.66 -1.29 1.92 4.20 -0.18 -2.62 115.11 117.81 1ujd h GLN 64 Ca -0.03 -0.14 0.46 0.00 0.06 0.00 0.00 58.65 59.01 1ujd h GLN 64 Cb 1.71 -0.10 -0.15 0.00 0.30 0.00 0.00 27.48 29.24 1ujd h GLN 64 CO 0.13 0.64 0.80 0.25 -0.67 0.00 0.00 178.83 179.99 1ujd n THR 65 N -4.58 -0.29 -2.03 -0.54 -2.24 -0.23 -4.72 114.28 99.66 1ujd n THR 65 Ca 0.00 1.85 -0.20 0.00 -2.27 0.00 0.00 64.05 63.42 1ujd n THR 65 Cb 0.18 -3.02 -0.04 0.00 -2.10 0.00 0.00 70.33 65.35 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 -1.46 0.61 0.50 3.38 0.00 -0.99 -4.76 105.19 102.47 1ujd n GLY 66 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.72 0.00 -1.07 1.61 4.76 -1.26 -5.07 118.16 114.41 1ujd n LYS 67 Ca -0.23 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.92 1ujd n LYS 67 Cb 0.68 -0.66 0.15 0.00 -1.84 0.00 0.00 35.03 33.36 1ujd n LYS 67 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1ujd s LEU 68 N -4.92 2.19 -0.21 -0.35 -0.00 -1.26 -5.06 118.68 109.06 1ujd s LEU 68 Ca 0.00 1.59 -0.06 0.00 -0.00 0.00 0.00 54.13 55.66 1ujd s LEU 68 Cb 0.00 -3.96 0.10 0.00 -0.00 0.00 0.00 46.19 42.34 1ujd s LEU 68 CO 0.00 -2.86 0.43 -0.04 -0.00 0.00 0.00 176.35 173.88 1ujd s MET 69 N -4.84 0.34 0.50 1.48 1.00 -1.26 -5.02 119.30 111.51 1ujd s MET 69 Ca 0.64 0.97 -0.18 0.00 0.00 0.00 0.00 55.69 57.12 1ujd s MET 69 Cb -0.19 0.23 -0.14 0.00 0.00 0.00 0.00 34.83 34.72 1ujd s MET 69 CO 0.58 -0.32 -0.05 0.39 0.00 0.00 0.00 175.02 175.61 1ujd n GLU 70 N 5.39 0.05 -1.00 2.03 4.71 -1.26 -1.93 120.64 128.62 1ujd n GLU 70 Ca -0.08 0.02 -0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1ujd n GLU 70 Cb 0.50 -1.06 -0.00 0.00 -1.01 0.00 0.00 31.44 29.86 1ujd n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ujd n GLY 71 N 2.43 0.47 3.50 0.62 0.00 0.65 -4.73 105.19 108.12 1ujd n GLY 71 Ca 0.08 -0.21 -0.43 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 -0.44 3.25 -0.19 1.61 -1.94 -0.81 -2.32 119.30 118.47 1ujd s MET 72 Ca 0.00 -0.48 -0.38 0.00 -1.71 0.00 0.00 55.69 53.12 1ujd s MET 72 Cb 0.00 -4.01 -0.15 0.00 2.01 0.00 0.00 34.83 32.69 1ujd s MET 72 CO 0.00 -1.15 1.75 0.94 -0.01 0.00 0.00 175.02 176.55 1ujd n GLN 73 N 6.45 1.47 -2.82 2.03 7.27 -1.26 -3.27 117.38 127.24 1ujd n GLN 73 Ca -0.02 0.54 -0.43 0.00 0.07 0.00 0.00 57.00 57.16 1ujd n GLN 73 Cb 0.47 -2.27 -0.04 0.00 2.41 0.00 0.00 30.24 30.81 1ujd n GLN 73 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ujd s VAL 74 N 3.39 4.46 -0.03 1.69 1.01 0.12 -3.11 120.40 127.93 1ujd s VAL 74 Ca 0.95 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.43 1ujd s VAL 74 Cb -0.95 -4.45 -0.15 0.00 0.00 0.00 0.00 36.38 30.84 1ujd s VAL 74 CO 0.60 -0.87 0.95 -0.07 0.00 0.00 0.00 175.10 175.70 1ujd h LEU 75 N 10.62 -0.30 -8.56 3.92 3.38 0.16 -3.39 115.31 121.15 1ujd h LEU 75 Ca -0.24 -0.22 -0.24 0.00 0.09 0.00 0.00 57.88 57.26 1ujd h LEU 75 Cb 1.07 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1ujd h LEU 75 CO 1.03 0.17 -0.66 -1.61 0.09 0.00 0.00 178.44 177.47 1ujd s GLU 76 N -3.81 1.03 -0.21 1.13 2.02 -0.98 -2.35 118.70 115.53 1ujd s GLU 76 Ca -0.12 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.34 1ujd s GLU 76 Cb 0.01 -0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.29 1ujd s GLU 76 CO 0.45 -0.19 0.23 -0.46 0.02 0.00 0.00 175.26 175.31 1ujd s TRP 77 N -3.83 -0.28 -1.58 1.61 -0.11 0.93 -0.81 118.94 114.87 1ujd s TRP 77 Ca 0.24 0.17 -0.03 0.00 1.22 0.00 0.00 56.10 57.70 1ujd s TRP 77 Cb 0.07 -0.38 0.01 0.00 -1.50 0.00 0.00 33.47 31.67 1ujd s TRP 77 CO 0.03 -0.63 0.33 0.09 -4.62 0.00 0.00 176.95 172.14 1ujd n ASN 78 N 5.32 -5.68 0.00 5.86 4.13 -0.44 -2.16 115.26 122.29 1ujd n ASN 78 Ca -0.05 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1ujd n ASN 78 Cb 0.49 -4.66 0.00 0.00 -1.54 0.00 0.00 39.78 34.07 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 -1.25 2.66 3.68 7.41 0.00 -1.26 -5.00 105.19 111.43 1ujd n GLY 79 Ca -0.16 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 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 0.40 -2.55 -0.61 -0.00 -0.92 -4.90 119.36 110.79 1ujd n ILE 80 Ca 0.00 -0.07 -0.34 0.00 -0.00 0.00 0.00 62.75 62.34 1ujd n ILE 80 Cb 0.00 -1.96 -0.04 0.00 -0.00 0.00 0.00 39.64 37.64 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 2.95 3.84 -0.33 0.38 0.04 -1.26 -0.05 135.00 140.57 1ujd s PRO 81 Ca 0.85 1.37 0.07 0.00 0.04 0.00 0.00 61.00 63.34 1ujd s PRO 81 Cb -0.58 -2.14 0.51 0.00 0.04 0.00 0.00 34.50 32.34 1ujd s PRO 81 CO 0.42 -0.40 1.51 1.28 0.04 0.00 0.00 177.00 179.85 1ujd n LEU 82 N -0.87 4.65 -4.58 -3.56 4.77 -0.99 -4.86 117.00 111.55 1ujd n LEU 82 Ca 0.09 -3.92 -0.34 0.00 -0.03 0.00 0.00 56.01 51.81 1ujd n LEU 82 Cb 0.52 -0.65 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 1ujd n LEU 82 CO 0.40 1.36 -0.38 -0.89 -1.33 0.00 0.00 177.39 176.55 1ujd s THR 83 N -3.51 3.68 -0.96 -5.08 2.01 -1.26 -2.11 115.64 108.41 1ujd s THR 83 Ca 0.48 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 1ujd s THR 83 Cb 0.42 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1ujd s THR 83 CO 0.01 0.59 0.05 -1.54 -0.69 0.00 0.00 174.62 173.04 1ujd n SER 84 N 2.20 -3.74 -3.74 3.53 3.41 0.32 -4.98 113.62 110.61 1ujd n SER 84 Ca -0.18 -0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.18 1ujd n SER 84 Cb 0.53 -2.92 -0.05 0.00 -0.26 0.00 0.00 64.21 61.51 1ujd n SER 84 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ujd n LYS 85 N -2.16 0.99 -4.41 4.33 4.76 -1.26 -5.04 118.16 115.36 1ujd n LYS 85 Ca -0.12 -2.64 -0.24 0.00 -2.87 0.00 0.00 58.31 52.44 1ujd n LYS 85 Cb 0.60 0.90 -0.11 0.00 -1.84 0.00 0.00 35.03 34.58 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 -2.42 2.22 0.12 -0.18 -4.23 -1.26 -2.62 115.64 107.26 1ujd s THR 86 Ca 0.04 -2.15 -0.23 0.00 -1.18 0.00 0.00 61.69 58.18 1ujd s THR 86 Cb 0.00 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.68 1ujd s THR 86 CO 0.03 -0.30 1.28 0.00 -0.54 0.00 0.00 174.62 175.08 1ujd n TYR 87 N -0.08 -0.32 0.00 3.99 4.19 -1.26 0.12 117.16 123.80 1ujd n TYR 87 Ca -0.10 0.91 -0.01 0.00 3.31 0.00 0.00 57.90 62.01 1ujd n TYR 87 Cb 0.58 -0.55 -0.01 0.00 0.49 0.00 0.00 39.34 39.86 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 -0.04 -0.56 2.98 5.08 -1.96 0.54 114.58 120.60 1ujd h GLU 88 Ca 0.12 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1ujd h GLU 88 Cb 0.30 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1ujd h GLU 88 CO -0.68 -0.03 -0.33 0.39 -1.00 0.00 0.00 179.01 177.36 1ujd n GLU 89 N -2.72 -0.25 -0.13 2.33 1.02 -0.65 -0.44 120.64 119.81 1ujd n GLU 89 Ca -0.00 1.23 -0.12 0.00 -0.02 0.00 0.00 57.16 58.25 1ujd n GLU 89 Cb 0.03 -1.82 -0.07 0.00 -0.02 0.00 0.00 31.44 29.56 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 0.06 -0.99 2.62 2.07 -0.10 0.42 116.25 120.32 1ujd h VAL 90 Ca 0.09 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.97 1ujd h VAL 90 Cb 0.23 0.06 -0.17 0.00 -1.52 0.00 0.00 31.29 29.89 1ujd h VAL 90 CO -0.53 0.00 0.47 -0.61 0.02 0.00 0.00 177.57 176.92 1ujd h GLN 91 N -0.37 0.11 -0.58 1.57 4.15 0.29 1.75 115.11 122.03 1ujd h GLN 91 Ca 0.11 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 1ujd h GLN 91 Cb 0.60 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1ujd h GLN 91 CO -0.58 0.07 0.07 1.03 -1.93 0.00 0.00 178.83 177.50 1ujd h SER 92 N 0.12 0.94 -0.40 -0.69 0.87 0.21 2.00 113.55 116.59 1ujd h SER 92 Ca 0.77 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 61.01 1ujd h SER 92 Cb 1.89 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1ujd h SER 92 CO -0.73 0.98 0.11 0.40 -0.53 0.00 0.00 176.83 177.06 1ujd h ILE 93 N 0.87 1.21 0.00 2.23 2.04 0.37 -3.22 117.51 121.01 1ujd h ILE 93 Ca 0.17 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1ujd h ILE 93 Cb 0.45 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1ujd h ILE 93 CO 0.02 0.27 -0.08 0.40 0.00 0.00 0.00 178.15 178.76 1ujd h ILE 94 N 0.69 0.01 -1.96 -0.67 2.04 -0.20 -3.47 117.51 113.95 1ujd h ILE 94 Ca 0.16 -1.00 -0.57 0.00 1.00 0.00 0.00 64.86 64.44 1ujd h ILE 94 Cb 0.27 0.01 0.20 0.00 -0.74 0.00 0.00 36.82 36.56 1ujd h ILE 94 CO -0.00 0.00 -1.40 -0.24 0.00 0.00 0.00 178.15 176.51 1ujd n SER 95 N -4.75 -4.48 -0.13 1.72 2.88 0.67 -4.61 113.62 104.92 1ujd n SER 95 Ca -0.01 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ujd n SER 95 Cb 0.04 -0.80 -0.00 0.00 -0.75 0.00 0.00 64.21 62.70 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 1.84 -0.01 -2.19 -1.46 7.27 -1.26 -4.87 117.38 116.70 1ujd n GLN 96 Ca 0.04 0.01 -0.04 0.00 0.07 0.00 0.00 57.00 57.08 1ujd n GLN 96 Cb 0.49 -0.02 0.02 0.00 2.41 0.00 0.00 30.24 33.15 1ujd n GLN 96 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1ujd n GLN 97 N -0.30 -0.78 -2.18 3.69 1.13 -1.26 -4.91 117.38 112.78 1ujd n GLN 97 Ca 0.00 0.58 -0.43 0.00 -1.94 0.00 0.00 57.00 55.21 1ujd n GLN 97 Cb 0.00 -3.28 0.00 0.00 0.11 0.00 0.00 30.24 27.07 1ujd n GLN 97 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ujd n SER 98 N -1.86 4.47 0.00 1.08 3.41 -1.26 -3.89 113.62 115.57 1ujd n SER 98 Ca -0.02 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 1ujd n SER 98 Cb 0.53 -1.67 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujd n GLY 99 N 4.42 0.00 0.00 5.00 0.00 -1.26 -5.08 105.19 108.27 1ujd n GLY 99 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.00 -3.48 1.61 -0.00 -1.25 -4.85 120.64 112.67 1ujd n GLU 100 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.05 1ujd n GLU 100 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.42 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 -2.12 -1.58 -0.02 -1.84 0.00 0.30 -4.93 121.76 111.57 1ujd s ALA 101 Ca 0.00 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.47 1ujd s ALA 101 Cb 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1ujd s ALA 101 CO 0.00 -0.80 -0.24 -2.00 0.00 0.00 0.00 175.76 172.73 1ujd s GLU 102 N -3.71 1.96 -0.06 0.00 2.12 -1.26 0.19 118.70 117.93 1ujd s GLU 102 Ca 0.03 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.53 1ujd s GLU 102 Cb -0.02 -1.87 0.01 0.00 0.26 0.00 0.00 34.13 32.51 1ujd s GLU 102 CO -0.10 0.50 -0.13 -1.50 -0.54 0.00 0.00 175.26 173.49 1ujd s ILE 103 N -0.52 1.16 -0.36 -3.70 2.07 -1.12 -1.32 121.20 117.40 1ujd s ILE 103 Ca 0.08 -0.50 -0.02 0.00 -1.41 0.00 0.00 60.65 58.79 1ujd s ILE 103 Cb -0.09 -1.05 0.08 0.00 0.13 0.00 0.00 42.46 41.53 1ujd s ILE 103 CO -0.01 0.36 0.12 0.00 -1.91 0.00 0.00 174.94 173.50 1ujd s VAL 105 N 1.18 1.57 -0.26 0.00 -7.23 -1.24 0.18 120.40 114.59 1ujd s VAL 105 Ca 0.03 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1ujd s VAL 105 Cb -0.21 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.77 1ujd s VAL 105 CO -0.03 0.00 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.07 1ujd s ARG 106 N -4.35 2.12 0.11 4.82 3.52 -1.18 -3.53 118.95 120.46 1ujd s ARG 106 Ca 0.35 -1.36 -0.31 0.00 -0.13 0.00 0.00 55.73 54.28 1ujd s ARG 106 Cb -0.03 -2.89 -0.12 0.00 -1.56 0.00 0.00 34.95 30.36 1ujd s ARG 106 CO 0.22 -0.60 1.51 -0.07 -0.81 0.00 0.00 175.30 175.55 1ujd h LEU 107 N 7.77 -1.66 0.00 -0.88 3.38 -0.98 -3.04 115.31 119.91 1ujd h LEU 107 Ca -0.18 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ujd h LEU 107 Cb 1.04 0.66 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1ujd h LEU 107 CO 0.46 -0.43 0.00 0.47 0.09 0.00 0.00 178.44 179.03 1ujd n ASP 108 N -5.22 0.00 -4.15 -0.43 9.92 -1.15 -4.54 116.55 110.98 1ujd n ASP 108 Ca -0.05 0.47 -0.29 0.00 -0.53 0.00 0.00 54.79 54.39 1ujd n ASP 108 Cb 0.34 0.00 0.25 0.00 -0.64 0.00 0.00 41.12 41.07 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 -0.93 -1.72 -1.41 0.64 7.94 -1.15 -4.98 117.00 115.39 1ujd n LEU 109 Ca 0.00 -0.33 -0.00 0.00 -1.11 0.00 0.00 56.01 54.57 1ujd n LEU 109 Cb 0.00 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 42.85 1ujd n LEU 109 CO 0.00 -3.54 0.23 -0.46 -1.11 0.00 0.00 177.39 172.51 1ujd n ASN 110 N -4.22 -0.03 -3.04 1.96 0.23 -1.26 -4.73 115.26 104.17 1ujd n ASN 110 Ca 0.04 -0.92 -0.18 0.00 -0.53 0.00 0.00 54.58 52.99 1ujd n ASN 110 Cb 0.56 0.01 0.02 0.00 -2.08 0.00 0.00 39.78 38.29 1ujd n ASN 110 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1ujd n MET 111 N -0.03 -0.96 0.00 -3.83 2.81 -0.98 -2.14 117.12 111.99 1ujd n MET 111 Ca -0.00 0.96 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 1ujd n MET 111 Cb 0.48 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1ujd n MET 111 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ujd n SER 112 N 0.64 0.00 0.00 7.83 2.88 -1.26 -4.82 113.62 118.88 1ujd n SER 112 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1ujd n SER 112 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1ujd n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 113 N 0.00 -1.69 3.57 0.46 0.00 -0.91 -5.09 105.19 101.54 1ujd n GLY 113 Ca 0.00 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.52 3.21 0.64 1.61 0.04 -1.26 -4.86 135.00 132.87 1ujd s PRO 114 Ca 0.00 0.53 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 1ujd s PRO 114 Cb 0.00 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 1ujd s PRO 114 CO 0.00 -2.04 1.19 -1.12 0.04 0.00 0.00 177.00 175.07 1ujd s SER 115 N 5.00 4.90 0.23 6.66 0.01 -1.26 -5.04 113.70 124.18 1ujd s SER 115 Ca 0.56 2.32 0.06 0.00 1.31 0.00 0.00 55.95 60.20 1ujd s SER 115 Cb -0.12 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1ujd s SER 115 CO 0.25 -1.79 -0.07 -0.55 0.41 0.00 0.00 173.24 171.48 1ujd s SER 116 N -1.86 2.32 0.00 2.44 0.15 -1.26 -5.10 113.70 110.39 1ujd s SER 116 Ca 0.75 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ujd s SER 116 Cb -0.29 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1ujd s SER 116 CO 0.38 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.09