#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 0.00 -3.64 1.61 7.64 -1.26 -4.50 113.62 113.47 1ujd n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1ujd n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1ujd n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujd s SER 3 N -4.00 -0.86 0.98 6.43 0.15 -1.26 -5.17 113.70 109.97 1ujd s SER 3 Ca 0.00 1.47 -0.07 0.00 0.70 0.00 0.00 55.95 58.05 1ujd s SER 3 Cb 0.00 1.41 0.10 0.00 -1.71 0.00 0.00 66.02 65.83 1ujd s SER 3 CO 0.00 -0.24 0.60 0.61 1.20 0.00 0.00 173.24 175.41 1ujd n GLY 4 N 3.63 -1.21 1.33 9.45 0.00 -1.26 -4.95 105.19 112.17 1ujd n GLY 4 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.37 -7.34 0.07 1.61 2.88 -1.26 -5.04 113.62 101.16 1ujd n SER 5 Ca 0.08 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1ujd n SER 5 Cb 0.26 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 59.97 1ujd n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ujd n SER 6 N -0.70 0.20 -1.14 -3.46 3.41 -1.26 -5.08 113.62 105.60 1ujd n SER 6 Ca 0.00 0.22 -0.01 0.00 -0.26 0.00 0.00 58.87 58.83 1ujd n SER 6 Cb 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1ujd n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujd n GLY 7 N 2.22 0.47 2.91 5.00 0.00 -1.26 -5.08 105.19 109.46 1ujd n GLY 7 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.01 -0.19 0.94 1.61 2.46 -1.26 -5.15 115.29 110.69 1ujd s HIS 8 Ca 0.00 0.56 -0.11 0.00 0.47 0.00 0.00 55.06 55.98 1ujd s HIS 8 Cb -0.00 -0.12 0.16 0.00 -0.13 0.00 0.00 32.58 32.49 1ujd s HIS 8 CO 0.02 -0.21 1.10 0.71 -2.47 0.00 0.00 174.74 173.90 1ujd s TYR 9 N 1.53 1.83 0.25 3.88 2.02 -1.26 -4.92 117.35 120.68 1ujd s TYR 9 Ca -0.06 1.53 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 1ujd s TYR 9 Cb -0.12 -3.21 0.31 0.00 -0.40 0.00 0.00 41.96 38.54 1ujd s TYR 9 CO -0.06 -2.82 1.66 -0.84 -1.57 0.00 0.00 175.55 171.92 1ujd h ILE 10 N -1.87 1.29 -3.47 2.71 -0.00 -2.04 -3.44 117.51 110.69 1ujd h ILE 10 Ca -0.48 -1.43 -0.48 0.00 -0.00 0.00 0.00 64.86 62.47 1ujd h ILE 10 Cb 1.28 1.45 0.04 0.00 -0.00 0.00 0.00 36.82 39.59 1ujd h ILE 10 CO 0.47 0.45 0.09 0.72 -0.00 0.00 0.00 178.15 179.89 1ujd s PHE 11 N -4.37 3.44 -0.13 0.16 -0.12 -1.26 -5.03 117.98 110.67 1ujd s PHE 11 Ca -0.07 0.68 -0.29 0.00 -0.05 0.00 0.00 56.93 57.20 1ujd s PHE 11 Cb 0.13 -2.40 -0.02 0.00 -0.63 0.00 0.00 43.02 40.10 1ujd s PHE 11 CO 0.81 -0.41 1.26 -1.25 -0.05 0.00 0.00 175.22 175.58 1ujd s PRO 12 N -4.77 4.26 0.11 1.99 0.04 -1.26 -5.00 135.00 130.37 1ujd s PRO 12 Ca 0.49 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 63.15 1ujd s PRO 12 Cb -0.10 -3.72 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 1ujd s PRO 12 CO 0.44 -0.65 0.17 -3.38 0.04 0.00 0.00 177.00 173.62 1ujd s HIS 13 N 3.18 0.38 -0.10 0.56 -3.43 -1.26 -1.28 115.29 113.34 1ujd s HIS 13 Ca 0.56 -0.80 -0.01 0.00 -0.80 0.00 0.00 55.06 54.00 1ujd s HIS 13 Cb -0.23 -0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 30.73 1ujd s HIS 13 CO 0.17 -0.57 -0.04 0.00 -2.00 0.00 0.00 174.74 172.29 1ujd s ALA 14 N -3.93 3.05 -0.43 -1.38 0.00 0.46 -4.72 121.76 114.80 1ujd s ALA 14 Ca 0.12 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1ujd s ALA 14 Cb 0.05 -1.40 0.12 0.00 0.00 0.00 0.00 23.12 21.90 1ujd s ALA 14 CO -0.05 0.44 0.20 1.03 0.00 0.00 0.00 175.76 177.38 1ujd s ARG 15 N -0.39 1.47 0.28 0.00 0.52 -1.26 -2.22 118.95 117.35 1ujd s ARG 15 Ca 0.06 -2.07 0.06 0.00 -0.52 0.00 0.00 55.73 53.26 1ujd s ARG 15 Cb -0.12 -2.75 -0.06 0.00 0.52 0.00 0.00 34.95 32.54 1ujd s ARG 15 CO 0.02 -1.09 -0.04 0.42 0.02 0.00 0.00 175.30 174.63 1ujd s ILE 16 N 0.39 1.56 0.18 1.52 1.09 -1.20 -5.03 121.20 119.72 1ujd s ILE 16 Ca 0.15 -2.10 0.08 0.00 -1.10 0.00 0.00 60.65 57.69 1ujd s ILE 16 Cb -0.23 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.63 1ujd s ILE 16 CO -0.04 -0.26 -0.07 -1.59 -0.10 0.00 0.00 174.94 172.88 1ujd s LYS 17 N -3.75 2.16 -0.29 2.79 0.00 -1.26 -1.19 119.74 118.19 1ujd s LYS 17 Ca 0.30 -1.23 -0.09 0.00 0.00 0.00 0.00 55.97 54.95 1ujd s LYS 17 Cb 0.05 -2.21 -0.02 0.00 0.00 0.00 0.00 37.83 35.65 1ujd s LYS 17 CO 0.12 0.44 0.13 0.42 0.00 0.00 0.00 175.35 176.46 1ujd s ILE 18 N -1.74 4.61 -0.17 3.79 -1.09 0.17 -4.90 121.20 121.86 1ujd s ILE 18 Ca 0.26 -0.27 -0.08 0.00 -2.23 0.00 0.00 60.65 58.33 1ujd s ILE 18 Cb -0.09 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1ujd s ILE 18 CO 0.16 0.17 0.11 0.42 -1.23 0.00 0.00 174.94 174.57 1ujd s THR 19 N 1.63 5.20 -0.70 2.92 -4.23 -1.26 -1.88 115.64 117.31 1ujd s THR 19 Ca 0.05 0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 1ujd s THR 19 Cb -0.16 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.44 1ujd s THR 19 CO 0.06 0.49 0.91 -0.60 -0.54 0.00 0.00 174.62 174.94 1ujd s ARG 20 N 0.03 3.21 -0.30 3.99 3.52 -1.26 -4.77 118.95 123.37 1ujd s ARG 20 Ca 0.08 -1.26 -0.17 0.00 -0.13 0.00 0.00 55.73 54.26 1ujd s ARG 20 Cb -0.12 -4.40 0.18 0.00 -1.56 0.00 0.00 34.95 29.05 1ujd s ARG 20 CO -0.00 -1.70 1.10 -0.51 -0.81 0.00 0.00 175.30 173.38 1ujd s ASP 21 N 3.60 -0.38 -0.30 -2.12 1.01 -1.26 -4.98 116.67 112.24 1ujd s ASP 21 Ca 0.21 0.53 -0.16 0.00 0.71 0.00 0.00 52.55 53.83 1ujd s ASP 21 Cb -0.16 1.44 0.17 0.00 1.01 0.00 0.00 42.92 45.38 1ujd s ASP 21 CO 0.04 -0.07 1.08 -0.55 0.21 0.00 0.00 175.17 175.87 1ujd s SER 22 N 2.30 -0.40 0.09 0.27 0.15 -1.26 -4.97 113.70 109.87 1ujd s SER 22 Ca -0.01 0.57 -0.36 0.00 0.70 0.00 0.00 55.95 56.85 1ujd s SER 22 Cb -0.04 1.37 -0.17 0.00 -1.71 0.00 0.00 66.02 65.47 1ujd s SER 22 CO -0.17 -0.08 1.19 0.29 1.20 0.00 0.00 173.24 175.66 1ujd n LYS 23 N 4.41 0.79 -3.15 5.44 5.02 -1.26 -4.92 118.16 124.49 1ujd n LYS 23 Ca -0.11 0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1ujd n LYS 23 Cb 0.55 -1.82 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1ujd n LYS 23 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ujd s ASP 24 N 0.17 -0.13 -0.45 4.39 2.15 -1.26 -5.12 116.67 116.42 1ujd s ASP 24 Ca 0.82 0.04 -0.11 0.00 0.43 0.00 0.00 52.55 53.74 1ujd s ASP 24 Cb -1.01 1.09 0.09 0.00 -0.30 0.00 0.00 42.92 42.79 1ujd s ASP 24 CO 0.51 -0.02 0.32 -2.28 -0.17 0.00 0.00 175.17 173.53 1ujd s HIS 25 N 2.99 3.32 -0.18 -5.34 5.65 -1.26 -4.94 115.29 115.53 1ujd s HIS 25 Ca 0.12 -1.42 -0.34 0.00 0.25 0.00 0.00 55.06 53.67 1ujd s HIS 25 Cb -0.04 -3.15 0.14 0.00 -1.18 0.00 0.00 32.58 28.35 1ujd s HIS 25 CO -0.15 -0.87 1.18 -0.08 -0.65 0.00 0.00 174.74 174.17 1ujd s THR 26 N 1.48 0.00 0.34 0.89 -1.32 -1.26 -5.08 115.64 110.69 1ujd s THR 26 Ca 0.04 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 1ujd s THR 26 Cb -0.24 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.63 1ujd s THR 26 CO 0.03 0.00 1.53 0.52 -2.21 0.00 0.00 174.62 174.49 1ujd n VAL 27 N -0.04 1.59 0.00 5.08 0.31 -1.26 -2.86 118.33 121.16 1ujd n VAL 27 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1ujd n VAL 27 Cb 0.58 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 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 1.17 0.00 0.00 4.52 2.88 -1.26 -4.89 113.62 116.04 1ujd n SER 28 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ujd n SER 28 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 0.78 3.15 0.46 0.00 -1.13 -4.85 105.19 103.60 1ujd n GLY 29 Ca 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.00 -1.00 0.00 1.61 3.84 -1.26 -5.04 114.94 109.09 1ujd s ASN 30 Ca 0.00 0.52 0.00 0.00 0.21 0.00 0.00 52.86 53.59 1ujd s ASN 30 Cb 0.00 1.80 0.00 0.00 -0.55 0.00 0.00 41.25 42.50 1ujd s ASN 30 CO 0.00 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.73 1ujd n GLY 31 N 5.42 -1.54 3.51 1.21 0.00 -1.26 -4.79 105.19 107.74 1ujd n GLY 31 Ca -0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1ujd n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ujd s LEU 32 N 0.00 3.87 -1.34 0.99 1.02 -1.26 -4.66 118.68 117.30 1ujd s LEU 32 Ca 0.00 -0.54 -0.16 0.00 0.02 0.00 0.00 54.13 53.45 1ujd s LEU 32 Cb 0.00 -2.65 0.02 0.00 0.02 0.00 0.00 46.19 43.58 1ujd s LEU 32 CO 0.00 -1.49 2.09 0.61 0.02 0.00 0.00 176.35 177.58 1ujd n GLY 33 N 5.25 3.75 2.97 -3.19 0.00 -1.26 -4.87 105.19 107.85 1ujd n GLY 33 Ca 0.01 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 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 3.84 0.80 -0.34 -0.61 2.07 -1.26 -3.48 121.20 122.22 1ujd s ILE 34 Ca 0.50 -0.32 -0.02 0.00 -1.41 0.00 0.00 60.65 59.41 1ujd s ILE 34 Cb 0.12 -0.75 0.08 0.00 0.13 0.00 0.00 42.46 42.03 1ujd s ILE 34 CO -0.03 0.27 0.08 -0.13 -1.91 0.00 0.00 174.94 173.22 1ujd s ARG 35 N 0.57 2.18 -0.11 3.50 0.52 -1.12 -5.05 118.95 119.43 1ujd s ARG 35 Ca -0.10 -1.53 0.03 0.00 -0.52 0.00 0.00 55.73 53.62 1ujd s ARG 35 Cb -0.13 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.02 1ujd s ARG 35 CO 0.01 -0.81 -0.22 0.42 0.02 0.00 0.00 175.30 174.72 1ujd s ILE 36 N 1.18 2.00 -0.27 1.52 1.01 -1.26 0.14 121.20 125.52 1ujd s ILE 36 Ca 0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 1ujd s ILE 36 Cb -0.21 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1ujd s ILE 36 CO -0.03 0.54 0.11 -0.69 0.00 0.00 0.00 174.94 174.87 1ujd s VAL 37 N 0.56 4.51 0.44 2.92 1.01 0.78 -4.88 120.40 125.75 1ujd s VAL 37 Ca -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1ujd s VAL 37 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1ujd s VAL 37 CO 0.04 0.24 0.67 -0.83 0.00 0.00 0.00 175.10 175.23 1ujd s GLY 38 N 1.63 1.51 -0.61 4.51 0.00 -1.26 -2.06 107.32 111.05 1ujd s GLY 38 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1ujd s GLY 38 CO 0.05 -0.79 0.51 0.61 0.00 0.00 0.00 173.10 173.48 1ujd n GLY 39 N -2.07 -0.00 3.26 0.20 0.00 0.17 -2.66 105.19 104.08 1ujd n GLY 39 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.54 1.67 0.22 1.61 2.47 -0.33 -4.82 119.74 116.02 1ujd s LYS 40 Ca 0.04 -0.86 -0.30 0.00 -1.56 0.00 0.00 55.97 53.28 1ujd s LYS 40 Cb -0.01 -1.69 -0.10 0.00 -1.46 0.00 0.00 37.83 34.58 1ujd s LYS 40 CO 0.38 0.45 1.44 -2.00 0.16 0.00 0.00 175.35 175.78 1ujd s GLU 41 N -0.78 4.27 -0.09 4.03 2.12 -1.26 -0.61 118.70 126.39 1ujd s GLU 41 Ca 0.09 2.27 -0.09 0.00 0.36 0.00 0.00 54.97 57.60 1ujd s GLU 41 Cb -0.09 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1ujd s GLU 41 CO 0.00 -0.43 0.21 0.42 -0.54 0.00 0.00 175.26 174.92 1ujd s ILE 42 N 0.23 5.38 -0.65 -3.70 1.01 -0.31 -4.91 121.20 118.24 1ujd s ILE 42 Ca 0.61 0.38 -0.27 0.00 0.00 0.00 0.00 60.65 61.37 1ujd s ILE 42 Cb -0.41 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1ujd s ILE 42 CO 0.40 0.61 1.55 -2.16 0.00 0.00 0.00 174.94 175.34 1ujd s PRO 43 N -1.05 2.98 0.00 2.79 0.04 -1.26 -3.96 135.00 134.54 1ujd s PRO 43 Ca 0.17 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1ujd s PRO 43 Cb -0.13 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1ujd s PRO 43 CO 0.07 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1ujd n GLY 44 N 5.49 -0.39 2.30 0.56 0.00 -1.26 -5.05 105.19 106.85 1ujd n GLY 44 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1ujd n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ujd n HIS 45 N -0.48 -1.55 -4.03 1.61 -0.00 -1.25 -4.97 115.22 104.54 1ujd n HIS 45 Ca 0.00 -1.33 -0.33 0.00 -0.00 0.00 0.00 57.72 56.06 1ujd n HIS 45 Cb 0.07 1.30 0.01 0.00 -0.00 0.00 0.00 29.99 31.37 1ujd n HIS 45 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ujd n SER 46 N -1.16 -4.26 -3.19 0.26 2.88 -1.26 -2.33 113.62 104.56 1ujd n SER 46 Ca -0.16 -0.86 -0.06 0.00 -1.33 0.00 0.00 58.87 56.46 1ujd n SER 46 Cb 0.80 -3.47 0.01 0.00 -0.75 0.00 0.00 64.21 60.80 1ujd n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 47 N -1.59 -1.23 3.40 0.46 0.00 -1.26 -5.03 105.19 99.94 1ujd n GLY 47 Ca 0.05 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.50 1.46 0.25 1.61 2.56 -0.98 -5.02 118.70 115.07 1ujd s GLU 48 Ca 0.08 -1.56 0.06 0.00 0.00 0.00 0.00 54.97 53.55 1ujd s GLU 48 Cb -0.01 -1.57 -0.03 0.00 2.00 0.00 0.00 34.13 34.51 1ujd s GLU 48 CO 0.77 0.31 0.25 0.96 -0.56 0.00 0.00 175.26 176.99 1ujd s ILE 49 N -2.18 4.72 0.00 -3.70 -4.36 -1.26 -1.17 121.20 113.26 1ujd s ILE 49 Ca 0.22 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 1ujd s ILE 49 Cb -0.06 -3.56 0.00 0.00 1.25 0.00 0.00 42.46 40.09 1ujd s ILE 49 CO 0.10 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1ujd n GLY 50 N -1.26 2.46 3.16 6.27 0.00 0.22 -2.68 105.19 113.36 1ujd n GLY 50 Ca -0.08 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 1.33 0.15 4.61 0.00 -1.25 0.46 121.76 126.05 1ujd s ALA 51 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1ujd s ALA 51 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ujd s ALA 51 CO 0.00 0.30 0.22 1.52 0.00 0.00 0.00 175.76 177.79 1ujd s TYR 52 N -0.61 0.50 -0.31 0.00 1.13 -0.87 0.14 117.35 117.32 1ujd s TYR 52 Ca 0.05 -0.87 -0.28 0.00 -1.41 0.00 0.00 57.07 54.56 1ujd s TYR 52 Cb -0.07 -0.17 0.01 0.00 -1.10 0.00 0.00 41.96 40.64 1ujd s TYR 52 CO 0.00 -0.65 1.01 0.42 -2.51 0.00 0.00 175.55 173.82 1ujd s ILE 53 N -3.98 4.58 -0.07 -3.49 1.01 0.22 -0.15 121.20 119.31 1ujd s ILE 53 Ca 0.18 1.62 -0.24 0.00 0.00 0.00 0.00 60.65 62.21 1ujd s ILE 53 Cb 0.04 -4.35 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 1ujd s ILE 53 CO -0.00 -0.41 0.89 0.00 0.00 0.00 0.00 174.94 175.42 1ujd h ALA 54 N 8.06 -0.08 -2.70 9.38 0.00 0.91 0.22 119.26 135.06 1ujd h ALA 54 Ca -0.21 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1ujd h ALA 54 Cb 1.07 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.68 1ujd h ALA 54 CO 1.00 -0.18 -0.35 0.21 0.00 0.00 0.00 179.25 179.93 1ujd s LYS 55 N -3.16 0.54 -0.31 0.00 2.47 -1.16 -4.43 119.74 113.69 1ujd s LYS 55 Ca -0.15 -0.08 -0.06 0.00 -1.56 0.00 0.00 55.97 54.12 1ujd s LYS 55 Cb -0.00 0.24 0.02 0.00 -1.46 0.00 0.00 37.83 36.63 1ujd s LYS 55 CO 0.57 -0.13 0.07 0.42 0.16 0.00 0.00 175.35 176.44 1ujd s ILE 56 N -0.96 3.76 1.00 5.43 1.01 -1.26 -2.78 121.20 127.40 1ujd s ILE 56 Ca -0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.50 1ujd s ILE 56 Cb -0.05 -3.02 0.10 0.00 0.01 0.00 0.00 42.46 39.50 1ujd s ILE 56 CO 0.03 -0.02 0.53 0.18 0.00 0.00 0.00 174.94 175.66 1ujd n LEU 57 N 4.82 -0.03 -4.69 2.97 4.77 -1.23 -4.89 117.00 118.73 1ujd n LEU 57 Ca -0.14 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1ujd n LEU 57 Cb 0.46 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 1ujd n LEU 57 CO 0.31 -3.21 0.96 -2.16 -1.33 0.00 0.00 177.39 171.96 1ujd s PRO 58 N -3.87 4.35 -1.17 3.23 0.04 -1.26 -3.38 135.00 132.94 1ujd s PRO 58 Ca 0.60 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1ujd s PRO 58 Cb -0.20 -3.54 0.11 0.00 0.04 0.00 0.00 34.50 30.90 1ujd s PRO 58 CO 0.65 -0.44 0.41 0.41 0.04 0.00 0.00 177.00 178.06 1ujd n GLY 59 N 3.38 -0.46 3.87 0.56 0.00 -1.26 -4.90 105.19 106.38 1ujd n GLY 59 Ca 0.11 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.72 1.75 0.45 -0.02 0.00 -1.22 -4.64 107.32 100.92 1ujd s GLY 60 Ca 0.44 -1.16 0.16 0.00 0.00 0.00 0.00 44.72 44.17 1ujd s GLY 60 CO 0.55 -0.37 1.97 1.76 0.00 0.00 0.00 173.10 177.00 1ujd h SER 61 N -1.81 0.30 0.04 1.64 0.02 -1.83 0.60 113.55 112.52 1ujd h SER 61 Ca -0.44 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1ujd h SER 61 Cb 1.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ujd h SER 61 CO 0.37 0.17 -0.02 0.00 -1.14 0.00 0.00 176.83 176.21 1ujd h ALA 62 N 1.69 -0.06 -0.68 3.77 0.00 -1.90 -3.29 119.26 118.79 1ujd h ALA 62 Ca 0.30 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.39 1ujd h ALA 62 Cb 0.71 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ujd h ALA 62 CO -0.08 -0.05 0.63 1.49 0.00 0.00 0.00 179.25 181.24 1ujd h GLU 63 N -1.01 0.00 -0.95 0.00 4.57 -1.71 0.38 114.58 115.86 1ujd h GLU 63 Ca -0.01 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1ujd h GLU 63 Cb 0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 1ujd h GLU 63 CO 0.01 0.00 0.61 1.96 -1.18 0.00 0.00 179.01 180.41 1ujd h GLN 64 N 0.00 0.92 -0.25 1.92 1.08 0.13 -1.40 115.11 117.50 1ujd h GLN 64 Ca 0.32 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1ujd h GLN 64 Cb 1.58 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.79 1ujd h GLN 64 CO -0.00 0.61 0.10 1.79 -0.95 0.00 0.00 178.83 180.38 1ujd h THR 65 N 0.94 1.17 0.00 -0.54 1.35 -0.35 -3.46 112.91 112.01 1ujd h THR 65 Ca 0.45 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1ujd h THR 65 Cb 0.44 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1ujd h THR 65 CO -0.21 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1ujd n GLY 66 N -0.74 2.08 0.08 5.82 0.00 -0.53 -4.71 105.19 107.19 1ujd n GLY 66 Ca -0.03 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.65 1ujd n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ujd n LYS 67 N 0.00 0.11 -3.27 1.61 4.81 -1.26 -4.65 118.16 115.50 1ujd n LYS 67 Ca 0.00 0.42 -0.30 0.00 -0.87 0.00 0.00 58.31 57.56 1ujd n LYS 67 Cb 0.00 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 33.27 1ujd n LYS 67 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ujd s LEU 68 N -3.88 4.06 0.26 3.14 2.01 -1.26 -5.04 118.68 117.96 1ujd s LEU 68 Ca 0.03 0.88 -0.13 0.00 0.01 0.00 0.00 54.13 54.92 1ujd s LEU 68 Cb 0.08 -3.69 0.00 0.00 0.01 0.00 0.00 46.19 42.59 1ujd s LEU 68 CO 0.27 -0.19 0.52 -0.04 1.01 0.00 0.00 176.35 177.92 1ujd s MET 69 N -3.32 1.62 0.61 1.70 -1.94 -1.26 -4.91 119.30 111.81 1ujd s MET 69 Ca 0.47 -1.25 -0.13 0.00 -1.71 0.00 0.00 55.69 53.07 1ujd s MET 69 Cb -0.11 0.49 -0.03 0.00 2.01 0.00 0.00 34.83 37.19 1ujd s MET 69 CO 0.27 -0.69 1.03 -1.21 -0.01 0.00 0.00 175.02 174.41 1ujd s GLU 70 N -3.89 3.43 -1.77 2.03 2.02 -1.26 -3.55 118.70 115.71 1ujd s GLU 70 Ca 0.21 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1ujd s GLU 70 Cb -0.02 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1ujd s GLU 70 CO 0.09 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.08 1ujd n GLY 71 N -1.96 1.26 3.69 -1.39 0.00 0.77 -4.80 105.19 102.77 1ujd n GLY 71 Ca 0.07 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.79 4.23 -0.32 1.61 -1.94 -1.23 -0.21 119.30 117.65 1ujd s MET 72 Ca 0.00 0.29 -0.28 0.00 -1.71 0.00 0.00 55.69 53.99 1ujd s MET 72 Cb 0.00 -3.50 0.01 0.00 2.01 0.00 0.00 34.83 33.35 1ujd s MET 72 CO 0.00 0.02 1.01 -1.14 -0.01 0.00 0.00 175.02 174.90 1ujd s GLN 73 N 1.11 4.03 -0.43 2.03 0.74 -1.26 0.69 119.66 126.57 1ujd s GLN 73 Ca 0.21 0.94 -0.24 0.00 0.05 0.00 0.00 55.36 56.32 1ujd s GLN 73 Cb -0.15 -3.74 0.02 0.00 1.10 0.00 0.00 33.01 30.24 1ujd s GLN 73 CO 0.08 -0.87 0.84 0.08 -0.55 0.00 0.00 175.29 174.88 1ujd s VAL 74 N 3.51 4.60 0.04 1.34 1.01 0.36 -1.69 120.40 129.57 1ujd s VAL 74 Ca 0.42 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 1ujd s VAL 74 Cb -0.12 -4.34 -0.17 0.00 0.00 0.00 0.00 36.38 31.75 1ujd s VAL 74 CO 0.15 -0.68 1.43 -0.07 0.00 0.00 0.00 175.10 175.93 1ujd h LEU 75 N 10.19 -0.57 -8.37 3.92 3.38 0.18 -3.36 115.31 120.67 1ujd h LEU 75 Ca -0.24 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 1ujd h LEU 75 Cb 1.08 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 1ujd h LEU 75 CO 0.97 -0.29 -0.67 -1.61 0.09 0.00 0.00 178.44 176.93 1ujd s GLU 76 N -5.39 0.79 -0.06 1.13 2.02 -0.34 -2.60 118.70 114.25 1ujd s GLU 76 Ca -0.16 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.48 1ujd s GLU 76 Cb 0.03 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.41 1ujd s GLU 76 CO 0.57 -0.15 0.05 -0.46 0.02 0.00 0.00 175.26 175.29 1ujd s TRP 77 N -3.90 0.20 -1.80 1.61 -0.11 0.97 -0.28 118.94 115.64 1ujd s TRP 77 Ca 0.15 0.11 0.00 0.00 1.22 0.00 0.00 56.10 57.58 1ujd s TRP 77 Cb 0.07 -0.57 0.00 0.00 -1.50 0.00 0.00 33.47 31.47 1ujd s TRP 77 CO -0.04 -0.25 0.00 0.09 -4.62 0.00 0.00 176.95 172.13 1ujd n ASN 78 N 5.26 -5.92 0.00 5.86 3.02 0.49 -1.84 115.26 122.14 1ujd n ASN 78 Ca -0.04 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1ujd n ASN 78 Cb 0.50 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 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 -1.00 2.48 3.69 7.41 0.00 -1.26 -4.90 105.19 111.60 1ujd n GLY 79 Ca -0.25 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.25 3.05 0.54 -0.61 1.09 -0.77 -4.91 121.20 119.33 1ujd s ILE 80 Ca 0.00 0.46 -0.18 0.00 -1.10 0.00 0.00 60.65 59.83 1ujd s ILE 80 Cb 0.00 -3.29 -0.06 0.00 -1.06 0.00 0.00 42.46 38.04 1ujd s ILE 80 CO 0.00 -0.01 1.04 -2.16 -0.10 0.00 0.00 174.94 173.72 1ujd s PRO 81 N 2.83 3.59 0.00 2.79 0.04 -1.26 -0.02 135.00 142.97 1ujd s PRO 81 Ca 0.75 1.27 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1ujd s PRO 81 Cb -0.40 -2.07 0.17 0.00 0.04 0.00 0.00 34.50 32.24 1ujd s PRO 81 CO 0.33 -0.59 1.14 1.28 0.04 0.00 0.00 177.00 179.19 1ujd n LEU 82 N -1.48 2.52 -4.66 -3.56 4.77 -1.07 -4.86 117.00 108.66 1ujd n LEU 82 Ca 0.09 -2.00 -0.41 0.00 -0.03 0.00 0.00 56.01 53.66 1ujd n LEU 82 Cb 0.53 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1ujd n LEU 82 CO 0.43 0.63 0.62 -0.89 -1.33 0.00 0.00 177.39 176.85 1ujd s THR 83 N -1.00 4.87 0.00 -5.08 2.01 -1.26 -3.54 115.64 111.64 1ujd s THR 83 Ca 0.13 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.72 1ujd s THR 83 Cb 0.07 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1ujd s THR 83 CO 0.09 -0.01 0.00 -0.24 -0.69 0.00 0.00 174.62 173.77 1ujd n SER 84 N 5.55 -1.09 -0.42 3.53 2.88 -1.09 -5.00 113.62 117.97 1ujd n SER 84 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1ujd n SER 84 Cb 0.48 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.77 2.99 -4.08 -1.46 4.76 -1.23 -5.09 118.16 113.28 1ujd n LYS 85 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1ujd n LYS 85 Cb 0.39 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.47 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 0.27 0.57 0.17 -0.18 -4.23 -1.26 -4.08 115.64 106.90 1ujd s THR 86 Ca 0.00 -1.26 -0.22 0.00 -1.18 0.00 0.00 61.69 59.03 1ujd s THR 86 Cb 0.00 -0.84 0.07 0.00 1.34 0.00 0.00 72.50 73.08 1ujd s THR 86 CO 0.00 -0.49 1.37 0.00 -0.54 0.00 0.00 174.62 174.96 1ujd n TYR 87 N 1.14 -0.18 0.04 3.99 9.36 -1.09 -0.19 117.16 130.24 1ujd n TYR 87 Ca -0.21 1.10 -0.05 0.00 3.32 0.00 0.00 57.90 62.07 1ujd n TYR 87 Cb 0.56 -0.70 -0.03 0.00 -0.63 0.00 0.00 39.34 38.54 1ujd n TYR 87 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1ujd h GLU 88 N 0.00 -0.22 -0.46 2.98 4.39 -1.97 0.29 114.58 119.60 1ujd h GLU 88 Ca 0.22 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.98 1ujd h GLU 88 Cb 0.45 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1ujd h GLU 88 CO -0.86 -0.15 -0.31 0.93 -1.16 0.00 0.00 179.01 177.47 1ujd h GLU 89 N -0.23 -0.05 -0.65 2.33 5.08 -1.57 0.48 114.58 119.97 1ujd h GLU 89 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1ujd h GLU 89 Cb 0.22 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.37 1ujd h GLU 89 CO -0.07 -0.03 -0.49 0.28 -1.00 0.00 0.00 179.01 177.70 1ujd h VAL 90 N -0.05 0.04 -0.97 3.13 2.07 -0.44 0.23 116.25 120.26 1ujd h VAL 90 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1ujd h VAL 90 Cb 0.24 0.04 -0.17 0.00 -1.52 0.00 0.00 31.29 29.89 1ujd h VAL 90 CO -0.45 0.00 -0.32 1.67 0.02 0.00 0.00 177.57 178.48 1ujd n GLN 91 N -5.38 -0.17 -0.35 1.57 7.27 0.10 0.21 117.38 120.63 1ujd n GLN 91 Ca 0.01 1.50 0.01 0.00 0.07 0.00 0.00 57.00 58.59 1ujd n GLN 91 Cb 0.34 -2.23 0.15 0.00 2.41 0.00 0.00 30.24 30.91 1ujd n GLN 91 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1ujd h SER 92 N 0.00 1.00 -0.37 1.69 0.02 0.73 2.44 113.55 119.06 1ujd h SER 92 Ca 0.39 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1ujd h SER 92 Cb 0.63 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1ujd h SER 92 CO -0.97 0.66 0.14 0.40 -1.14 0.00 0.00 176.83 175.92 1ujd h ILE 93 N 1.15 1.18 0.00 3.27 2.04 0.39 -3.28 117.51 122.25 1ujd h ILE 93 Ca 0.40 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1ujd h ILE 93 Cb 0.09 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ujd h ILE 93 CO -0.15 0.22 -0.10 0.40 0.00 0.00 0.00 178.15 178.52 1ujd h ILE 94 N 0.61 0.00 -3.42 -0.67 2.04 0.16 -3.47 117.51 112.75 1ujd h ILE 94 Ca 0.15 -0.40 -0.56 0.00 1.00 0.00 0.00 64.86 65.05 1ujd h ILE 94 Cb 0.17 0.00 0.18 0.00 -0.74 0.00 0.00 36.82 36.43 1ujd h ILE 94 CO -0.01 0.00 -0.20 -0.24 0.00 0.00 0.00 178.15 177.70 1ujd n SER 95 N -3.15 -0.53 -2.62 1.72 2.88 0.80 -4.34 113.62 108.38 1ujd n SER 95 Ca -0.01 0.63 -0.04 0.00 -1.33 0.00 0.00 58.87 58.12 1ujd n SER 95 Cb 0.05 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.19 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 -1.15 -3.90 -0.51 -1.46 7.27 -1.26 -4.69 117.38 111.68 1ujd n GLN 96 Ca 0.11 2.95 0.00 0.00 0.07 0.00 0.00 57.00 60.14 1ujd n GLN 96 Cb 0.50 -4.02 0.00 0.00 2.41 0.00 0.00 30.24 29.13 1ujd n GLN 96 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ujd n GLN 97 N 1.92 0.00 -3.55 3.69 0.00 -1.26 -4.93 117.38 113.25 1ujd n GLN 97 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 57.00 56.45 1ujd n GLN 97 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.56 1ujd n GLN 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ujd n SER 98 N -0.70 3.74 0.00 2.61 7.64 -1.26 -5.05 113.62 120.60 1ujd n SER 98 Ca 0.00 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1ujd n SER 98 Cb 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.28 1.86 2.86 0.23 0.00 -1.26 -4.80 105.19 105.35 1ujd n GLY 99 Ca 0.26 -0.43 -0.19 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 12.95 -2.52 -3.62 1.61 -0.00 -1.26 -4.86 120.64 122.95 1ujd n GLU 100 Ca 0.00 -0.92 -0.05 0.00 -0.00 0.00 0.00 57.16 56.18 1ujd n GLU 100 Cb 0.00 -1.51 -0.05 0.00 -0.00 0.00 0.00 31.44 29.88 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 -2.07 -2.05 0.06 -1.84 0.00 -0.79 -4.96 121.76 110.11 1ujd s ALA 101 Ca 0.42 1.77 -0.23 0.00 0.00 0.00 0.00 51.96 53.92 1ujd s ALA 101 Cb -0.07 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.76 1ujd s ALA 101 CO 0.35 -0.26 0.70 -1.21 0.00 0.00 0.00 175.76 175.35 1ujd s GLU 102 N -0.98 4.43 -0.23 0.00 2.02 -1.26 0.43 118.70 123.11 1ujd s GLU 102 Ca 0.05 0.96 0.02 0.00 0.02 0.00 0.00 54.97 56.02 1ujd s GLU 102 Cb -0.01 -3.33 0.05 0.00 0.10 0.00 0.00 34.13 30.94 1ujd s GLU 102 CO -0.05 0.40 -0.11 -1.50 0.02 0.00 0.00 175.26 174.02 1ujd s ILE 103 N -0.40 1.92 -0.50 -1.63 2.07 -0.34 0.18 121.20 122.51 1ujd s ILE 103 Ca 0.35 -1.32 -0.15 0.00 -1.41 0.00 0.00 60.65 58.12 1ujd s ILE 103 Cb -0.20 -2.00 0.10 0.00 0.13 0.00 0.00 42.46 40.48 1ujd s ILE 103 CO 0.22 0.09 0.43 0.00 -1.91 0.00 0.00 174.94 173.77 1ujd s VAL 105 N 1.61 2.40 0.35 0.00 0.11 -0.94 0.19 120.40 124.12 1ujd s VAL 105 Ca 0.04 -2.18 -0.05 0.00 -2.93 0.00 0.00 61.98 56.85 1ujd s VAL 105 Cb -0.27 -2.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.91 1ujd s VAL 105 CO 0.05 -0.24 0.63 -0.60 -3.33 0.00 0.00 175.10 171.61 1ujd s ARG 106 N -3.62 3.62 0.00 1.54 3.52 -0.68 -0.40 118.95 122.93 1ujd s ARG 106 Ca 0.32 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1ujd s ARG 106 Cb 0.00 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1ujd s ARG 106 CO 0.17 0.09 0.00 1.28 -0.81 0.00 0.00 175.30 176.03 1ujd n LEU 107 N -1.35 1.31 -4.57 -0.88 4.77 -0.40 -4.54 117.00 111.34 1ujd n LEU 107 Ca -0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1ujd n LEU 107 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1ujd n LEU 107 CO 0.49 0.00 1.41 -1.81 -1.33 0.00 0.00 177.39 176.14 1ujd s ASP 108 N -1.00 5.16 -0.23 -1.43 1.01 -1.26 -4.83 116.67 114.09 1ujd s ASP 108 Ca 0.00 -1.04 -0.21 0.00 0.71 0.00 0.00 52.55 52.01 1ujd s ASP 108 Cb 0.00 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.42 1ujd s ASP 108 CO 0.00 -2.80 0.62 -0.22 0.21 0.00 0.00 175.17 172.98 1ujd s LEU 109 N 10.19 -0.40 -0.02 1.23 1.98 -1.26 -5.07 118.68 125.33 1ujd s LEU 109 Ca 0.69 1.26 0.01 0.00 -2.89 0.00 0.00 54.13 53.19 1ujd s LEU 109 Cb -0.04 2.12 0.01 0.00 0.66 0.00 0.00 46.19 48.94 1ujd s LEU 109 CO 0.04 -0.22 -0.01 0.21 -1.89 0.00 0.00 176.35 174.48 1ujd s ASN 110 N 0.43 0.36 -0.40 3.68 3.84 -1.25 -4.66 114.94 116.94 1ujd s ASN 110 Ca -0.01 -0.04 0.08 0.00 0.21 0.00 0.00 52.86 53.11 1ujd s ASN 110 Cb -0.04 -0.13 0.25 0.00 -0.55 0.00 0.00 41.25 40.78 1ujd s ASN 110 CO -0.01 -0.04 0.56 0.23 -2.79 0.00 0.00 177.10 175.06 1ujd n MET 111 N 3.59 0.73 -4.19 0.43 2.81 0.71 -4.81 117.12 116.38 1ujd n MET 111 Ca -0.20 -3.11 -0.12 0.00 -1.81 0.00 0.00 57.70 52.46 1ujd n MET 111 Cb 0.55 -1.25 -0.10 0.00 -0.71 0.00 0.00 33.22 31.70 1ujd n MET 111 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1ujd s SER 112 N -1.28 1.32 0.00 7.83 0.01 -1.26 -4.41 113.70 115.91 1ujd s SER 112 Ca 0.35 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1ujd s SER 112 Cb 0.18 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1ujd s SER 112 CO -0.12 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1ujd n GLY 113 N -0.03 5.18 2.51 3.44 0.00 -1.26 -5.15 105.19 109.88 1ujd n GLY 113 Ca -0.12 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 1ujd n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujd n PRO 114 N 0.00 -1.67 -1.81 1.61 -0.04 -1.26 -4.97 135.00 126.86 1ujd n PRO 114 Ca 0.00 -1.30 -0.40 0.00 -0.04 0.00 0.00 63.50 61.76 1ujd n PRO 114 Cb 0.00 -1.03 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1ujd n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujd s SER 115 N -3.93 6.09 -0.55 3.54 0.15 -1.26 -4.95 113.70 112.79 1ujd s SER 115 Ca 0.50 2.96 -0.17 0.00 0.70 0.00 0.00 55.95 59.94 1ujd s SER 115 Cb -0.03 -2.66 0.11 0.00 -1.71 0.00 0.00 66.02 61.73 1ujd s SER 115 CO 0.37 -1.04 0.58 -0.94 1.20 0.00 0.00 173.24 173.41 1ujd s SER 116 N -0.37 6.19 0.00 5.45 1.04 -1.26 -5.32 113.70 119.43 1ujd s SER 116 Ca 0.57 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1ujd s SER 116 Cb -0.45 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1ujd s SER 116 CO 0.59 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.48