#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 -6.75 -3.01 1.61 2.88 -1.26 -4.98 113.62 102.12 1ujd n SER 2 Ca 0.00 0.62 -0.14 0.00 -1.33 0.00 0.00 58.87 58.03 1ujd n SER 2 Cb 0.00 -2.10 -0.03 0.00 -0.75 0.00 0.00 64.21 61.33 1ujd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujd n SER 3 N 1.40 -2.19 0.00 -3.46 7.64 -1.26 -4.97 113.62 110.78 1ujd n SER 3 Ca -0.01 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1ujd n SER 3 Cb 0.38 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 1ujd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 4 N 2.74 0.73 3.53 0.23 0.00 -1.26 -5.13 105.19 106.03 1ujd n GLY 4 Ca 0.22 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.18 4.54 -1.12 1.61 0.15 -1.26 -5.05 113.70 111.40 1ujd s SER 5 Ca 0.00 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.47 1ujd s SER 5 Cb 0.00 -1.30 0.28 0.00 -1.71 0.00 0.00 66.02 63.29 1ujd s SER 5 CO 0.00 0.30 1.20 -0.24 1.20 0.00 0.00 173.24 175.71 1ujd n SER 6 N 2.62 5.67 -3.94 5.45 2.88 -1.26 -4.95 113.62 120.09 1ujd n SER 6 Ca -0.18 -3.10 -0.31 0.00 -1.33 0.00 0.00 58.87 53.95 1ujd n SER 6 Cb 0.53 -1.37 -0.15 0.00 -0.75 0.00 0.00 64.21 62.47 1ujd n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujd s GLY 7 N 0.84 1.57 -0.10 0.46 0.00 -1.26 -5.08 107.32 103.75 1ujd s GLY 7 Ca 0.32 -2.02 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 1ujd s GLY 7 CO -0.04 1.07 0.24 -1.58 0.00 0.00 0.00 173.10 172.78 1ujd s HIS 8 N 1.19 -0.31 1.09 1.90 2.46 -1.26 -5.16 115.29 115.20 1ujd s HIS 8 Ca 0.05 0.76 -0.12 0.00 0.47 0.00 0.00 55.06 56.22 1ujd s HIS 8 Cb -0.19 0.03 0.24 0.00 -0.13 0.00 0.00 32.58 32.54 1ujd s HIS 8 CO -0.11 -0.23 1.06 0.71 -2.47 0.00 0.00 174.74 173.70 1ujd s TYR 9 N 1.25 1.55 0.23 3.88 2.02 -1.26 -4.90 117.35 120.12 1ujd s TYR 9 Ca -0.09 1.25 0.22 0.00 -0.37 0.00 0.00 57.07 58.07 1ujd s TYR 9 Cb -0.10 -3.16 0.92 0.00 -0.40 0.00 0.00 41.96 39.22 1ujd s TYR 9 CO -0.08 -3.50 1.84 -0.84 -1.57 0.00 0.00 175.55 171.40 1ujd h ILE 10 N -2.36 0.74 -2.46 2.71 -0.00 -2.05 -3.44 117.51 110.66 1ujd h ILE 10 Ca -0.57 -1.17 -0.46 0.00 -0.00 0.00 0.00 64.86 62.66 1ujd h ILE 10 Cb 1.32 1.73 0.01 0.00 -0.00 0.00 0.00 36.82 39.88 1ujd h ILE 10 CO 0.50 0.27 -0.26 0.72 -0.00 0.00 0.00 178.15 179.38 1ujd s PHE 11 N -3.79 3.37 -0.05 0.16 -0.12 -1.26 -5.06 117.98 111.24 1ujd s PHE 11 Ca -0.01 0.13 -0.30 0.00 -0.05 0.00 0.00 56.93 56.71 1ujd s PHE 11 Cb 0.11 -1.90 -0.04 0.00 -0.63 0.00 0.00 43.02 40.57 1ujd s PHE 11 CO 0.65 0.10 1.22 -1.25 -0.05 0.00 0.00 175.22 175.89 1ujd s PRO 12 N -4.25 4.35 0.22 1.99 0.04 -1.26 -5.01 135.00 131.09 1ujd s PRO 12 Ca 0.41 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 63.07 1ujd s PRO 12 Cb -0.09 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1ujd s PRO 12 CO 0.34 -0.45 0.33 -3.38 0.04 0.00 0.00 177.00 173.88 1ujd s HIS 13 N 2.19 0.66 0.02 0.56 -3.43 -1.26 -1.01 115.29 113.03 1ujd s HIS 13 Ca 0.57 -0.97 -0.05 0.00 -0.80 0.00 0.00 55.06 53.80 1ujd s HIS 13 Cb -0.25 -0.11 -0.01 0.00 -1.43 0.00 0.00 32.58 30.78 1ujd s HIS 13 CO 0.23 -0.84 0.09 0.00 -2.00 0.00 0.00 174.74 172.21 1ujd s ALA 14 N -4.07 -0.14 -0.49 -1.38 0.00 -1.18 -4.85 121.76 109.64 1ujd s ALA 14 Ca 0.28 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1ujd s ALA 14 Cb 0.02 0.16 0.13 0.00 0.00 0.00 0.00 23.12 23.44 1ujd s ALA 14 CO 0.09 -0.23 0.25 1.03 0.00 0.00 0.00 175.76 176.90 1ujd s ARG 15 N -1.80 1.77 0.23 0.00 0.52 -1.26 -3.37 118.95 115.04 1ujd s ARG 15 Ca -0.12 -2.42 0.00 0.00 -0.52 0.00 0.00 55.73 52.67 1ujd s ARG 15 Cb -0.06 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1ujd s ARG 15 CO -0.01 -1.12 0.41 0.42 0.02 0.00 0.00 175.30 175.02 1ujd s ILE 16 N -0.07 5.20 -0.11 1.52 1.09 -1.20 -4.98 121.20 122.65 1ujd s ILE 16 Ca 0.17 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.27 1ujd s ILE 16 Cb -0.25 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.37 1ujd s ILE 16 CO -0.00 -0.25 -0.17 -1.59 -0.10 0.00 0.00 174.94 172.83 1ujd s LYS 17 N -3.54 3.20 -0.24 2.79 0.00 -1.26 -2.26 119.74 118.42 1ujd s LYS 17 Ca 0.38 -0.75 -0.19 0.00 0.00 0.00 0.00 55.97 55.41 1ujd s LYS 17 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 37.83 35.20 1ujd s LYS 17 CO 0.30 0.24 0.55 0.42 0.00 0.00 0.00 175.35 176.86 1ujd s ILE 18 N 0.25 5.05 -0.18 3.79 1.01 0.20 -4.95 121.20 126.37 1ujd s ILE 18 Ca -0.12 0.98 -0.04 0.00 0.00 0.00 0.00 60.65 61.48 1ujd s ILE 18 Cb -0.16 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1ujd s ILE 18 CO 0.06 0.09 -0.03 0.42 0.00 0.00 0.00 174.94 175.48 1ujd s THR 19 N 2.18 3.77 0.87 2.92 -4.23 -1.26 -1.49 115.64 118.38 1ujd s THR 19 Ca 0.24 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.24 1ujd s THR 19 Cb -0.16 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.11 1ujd s THR 19 CO 0.09 0.46 1.04 -2.11 -0.54 0.00 0.00 174.62 173.56 1ujd n ARG 20 N 3.93 -0.13 -3.31 3.99 0.00 -1.26 -4.77 116.66 115.12 1ujd n ARG 20 Ca -0.17 0.03 0.03 0.00 -0.00 0.00 0.00 57.85 57.74 1ujd n ARG 20 Cb 0.52 -2.30 -0.05 0.00 -0.00 0.00 0.00 32.46 30.63 1ujd n ARG 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ujd s ASP 21 N -2.27 -0.06 0.00 2.89 -1.08 -1.26 -5.04 116.67 109.85 1ujd s ASP 21 Ca 0.68 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.80 1ujd s ASP 21 Cb -0.26 1.06 0.00 0.00 -1.46 0.00 0.00 42.92 42.26 1ujd s ASP 21 CO 0.56 -0.01 0.00 -0.24 0.52 0.00 0.00 175.17 176.00 1ujd n SER 22 N 4.12 0.00 -3.58 -0.34 2.88 -1.26 -4.84 113.62 110.61 1ujd n SER 22 Ca -0.09 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.12 1ujd n SER 22 Cb 0.56 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.04 1ujd n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujd n LYS 23 N 0.00 -1.81 -1.50 -1.46 4.76 -1.26 -4.53 118.16 112.36 1ujd n LYS 23 Ca 0.00 1.23 0.13 0.00 -2.87 0.00 0.00 58.31 56.79 1ujd n LYS 23 Cb 0.00 -2.28 -0.07 0.00 -1.84 0.00 0.00 35.03 30.84 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ujd n ASP 24 N -1.03 -8.00 -0.97 4.39 8.00 -1.26 -4.46 116.55 113.21 1ujd n ASP 24 Ca -0.16 1.58 0.10 0.00 0.71 0.00 0.00 54.79 57.03 1ujd n ASP 24 Cb 0.68 -5.06 0.17 0.00 -0.02 0.00 0.00 41.12 36.89 1ujd n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ujd n HIS 25 N -3.90 0.39 0.16 1.24 1.44 -1.26 -4.15 115.22 109.14 1ujd n HIS 25 Ca -0.07 -0.23 0.12 0.00 -2.01 0.00 0.00 57.72 55.52 1ujd n HIS 25 Cb 0.63 -0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.79 1ujd n HIS 25 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ujd h THR 26 N 3.84 0.00 -4.10 0.61 1.03 -1.92 -3.45 112.91 108.92 1ujd h THR 26 Ca 0.00 -0.96 -0.69 0.00 -0.01 0.00 0.00 66.41 64.74 1ujd h THR 26 Cb 0.88 1.58 -0.31 0.00 -1.07 0.00 0.00 68.15 69.24 1ujd h THR 26 CO 0.00 0.00 -0.88 -0.69 -0.01 0.00 0.00 175.52 173.94 1ujd s VAL 27 N -3.32 2.10 0.40 0.00 1.01 -1.26 -5.05 120.40 114.29 1ujd s VAL 27 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1ujd s VAL 27 Cb 0.09 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1ujd s VAL 27 CO 0.76 0.57 0.00 -1.20 0.00 0.00 0.00 175.10 175.23 1ujd n SER 28 N 2.86 -7.67 0.00 3.32 7.64 -1.26 -4.85 113.62 113.66 1ujd n SER 28 Ca -0.17 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1ujd n SER 28 Cb 0.52 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1ujd n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 29 N -4.05 1.86 1.03 0.23 0.00 -1.26 -4.91 105.19 98.10 1ujd n GLY 29 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1ujd n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ujd n ASN 30 N 0.00 0.47 0.00 1.61 2.85 -1.26 -5.15 115.26 113.78 1ujd n ASN 30 Ca 0.00 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1ujd n ASN 30 Cb 0.00 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 40.88 1ujd n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujd n GLY 31 N 3.20 1.51 0.29 8.20 0.00 -1.26 -4.97 105.19 112.16 1ujd n GLY 31 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 1ujd n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ujd h LEU 32 N 0.00 -0.86 0.00 0.99 3.38 -1.92 -3.47 115.31 113.43 1ujd h LEU 32 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ujd h LEU 32 Cb 0.00 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ujd h LEU 32 CO 0.00 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.88 1ujd n GLY 33 N -1.43 0.76 3.28 0.83 0.00 -1.26 -2.86 105.19 104.51 1ujd n GLY 33 Ca 0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.45 -0.01 -0.31 -0.61 2.07 -1.26 -3.65 121.20 116.98 1ujd s ILE 34 Ca 0.00 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1ujd s ILE 34 Cb 0.00 -0.56 0.05 0.00 0.13 0.00 0.00 42.46 42.08 1ujd s ILE 34 CO 0.00 0.01 0.02 -0.13 -1.91 0.00 0.00 174.94 172.93 1ujd s ARG 35 N 0.47 2.46 -0.11 3.50 0.52 -0.39 -4.99 118.95 120.42 1ujd s ARG 35 Ca -0.02 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 1ujd s ARG 35 Cb -0.04 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1ujd s ARG 35 CO -0.02 -0.63 -0.21 0.42 0.02 0.00 0.00 175.30 174.88 1ujd s ILE 36 N 1.28 2.36 -0.14 1.52 1.01 -1.26 0.52 121.20 126.48 1ujd s ILE 36 Ca -0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 1ujd s ILE 36 Cb -0.20 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1ujd s ILE 36 CO -0.00 0.55 -0.03 -0.69 0.00 0.00 0.00 174.94 174.77 1ujd s VAL 37 N 0.30 3.98 0.07 2.92 1.01 -0.85 -4.75 120.40 123.08 1ujd s VAL 37 Ca -0.15 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1ujd s VAL 37 Cb -0.17 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1ujd s VAL 37 CO 0.08 0.51 0.08 0.61 0.00 0.00 0.00 175.10 176.38 1ujd n GLY 38 N 3.29 2.35 3.36 4.51 0.00 -1.26 -1.63 105.19 115.81 1ujd n GLY 38 Ca -0.17 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.45 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 4.15 -0.50 3.46 -0.02 0.00 -0.36 -3.88 105.19 108.04 1ujd n GLY 39 Ca 0.01 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1ujd n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ujd s LYS 40 N -6.02 2.69 0.41 1.61 2.36 -0.57 -4.82 119.74 115.40 1ujd s LYS 40 Ca 0.42 -0.69 -0.26 0.00 -2.55 0.00 0.00 55.97 52.89 1ujd s LYS 40 Cb -0.21 -2.44 -0.09 0.00 -1.05 0.00 0.00 37.83 34.05 1ujd s LYS 40 CO 0.51 0.54 1.34 -2.00 1.55 0.00 0.00 175.35 177.30 1ujd s GLU 41 N -0.51 3.94 -0.12 4.03 2.12 -1.26 0.63 118.70 127.53 1ujd s GLU 41 Ca 0.07 2.24 -0.06 0.00 0.36 0.00 0.00 54.97 57.58 1ujd s GLU 41 Cb -0.12 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1ujd s GLU 41 CO 0.02 -0.55 0.12 0.42 -0.54 0.00 0.00 175.26 174.73 1ujd s ILE 42 N -1.23 5.37 -0.03 -3.70 1.01 -0.11 -4.83 121.20 117.67 1ujd s ILE 42 Ca 0.57 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 61.14 1ujd s ILE 42 Cb -0.40 -3.33 -0.22 0.00 0.01 0.00 0.00 42.46 38.51 1ujd s ILE 42 CO 0.52 0.62 1.08 1.55 0.00 0.00 0.00 174.94 178.70 1ujd h PRO 43 N 5.03 0.21 0.43 2.79 0.13 -1.90 -3.37 132.00 135.32 1ujd h PRO 43 Ca -0.54 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 1ujd h PRO 43 Cb 1.22 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ujd h PRO 43 CO 0.58 0.90 -0.21 0.78 -0.23 0.00 0.00 178.00 179.82 1ujd h GLY 44 N -0.41 -0.60 -1.33 1.56 0.00 -1.95 -3.44 103.07 96.89 1ujd h GLY 44 Ca -0.03 0.22 -0.45 0.00 0.00 0.00 0.00 47.33 47.07 1ujd h GLY 44 CO 0.05 -0.22 -0.54 1.42 0.00 0.00 0.00 176.54 177.25 1ujd n HIS 45 N -3.75 -1.31 -3.91 5.60 8.25 -1.26 -4.98 115.22 113.86 1ujd n HIS 45 Ca -0.07 0.01 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 1ujd n HIS 45 Cb 0.23 -1.64 -0.13 0.00 1.12 0.00 0.00 29.99 29.56 1ujd n HIS 45 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ujd s SER 46 N -2.12 4.67 -0.97 0.41 0.01 -1.26 -4.71 113.70 109.72 1ujd s SER 46 Ca 0.62 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 1ujd s SER 46 Cb -0.19 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.25 1ujd s SER 46 CO 0.66 -0.00 0.62 0.61 0.41 0.00 0.00 173.24 175.54 1ujd n GLY 47 N 4.69 -1.10 3.17 3.44 0.00 -1.26 -4.96 105.19 109.17 1ujd n GLY 47 Ca -0.17 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -5.99 0.33 0.10 1.61 2.56 -1.26 -5.07 118.70 110.98 1ujd s GLU 48 Ca 0.20 0.41 -0.01 0.00 0.00 0.00 0.00 54.97 55.57 1ujd s GLU 48 Cb -0.11 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.13 1ujd s GLU 48 CO 0.92 -0.05 0.27 0.96 -0.56 0.00 0.00 175.26 176.80 1ujd s ILE 49 N 0.21 5.32 0.00 -3.70 -4.36 -1.26 -0.94 121.20 116.47 1ujd s ILE 49 Ca -0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.07 1ujd s ILE 49 Cb -0.02 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 40.04 1ujd s ILE 49 CO -0.00 0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1ujd n GLY 50 N 0.10 3.54 3.27 6.27 0.00 0.21 0.08 105.19 118.66 1ujd n GLY 50 Ca -0.05 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.16 1.66 -0.12 4.61 0.00 -0.96 -1.23 121.76 124.56 1ujd s ALA 51 Ca 0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.26 1ujd s ALA 51 Cb 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1ujd s ALA 51 CO 0.00 0.10 0.71 1.52 0.00 0.00 0.00 175.76 178.09 1ujd s TYR 52 N -2.40 -0.68 -0.20 0.00 1.13 -0.64 -0.31 117.35 114.25 1ujd s TYR 52 Ca 0.13 1.32 -0.31 0.00 -1.41 0.00 0.00 57.07 56.80 1ujd s TYR 52 Cb -0.03 0.37 -0.08 0.00 -1.10 0.00 0.00 41.96 41.11 1ujd s TYR 52 CO 0.04 -0.53 2.12 -0.89 -2.51 0.00 0.00 175.55 173.79 1ujd n ILE 53 N 1.41 0.39 -0.07 -3.49 5.41 0.38 -2.01 119.36 121.38 1ujd n ILE 53 Ca -0.17 -0.31 -0.10 0.00 1.00 0.00 0.00 62.75 63.18 1ujd n ILE 53 Cb 0.56 -2.16 -0.06 0.00 -0.71 0.00 0.00 39.64 37.28 1ujd n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujd h ALA 54 N 12.76 0.06 -3.86 -1.39 0.00 -0.27 -0.95 119.26 125.62 1ujd h ALA 54 Ca -0.40 -0.53 -0.30 0.00 0.00 0.00 0.00 54.91 53.68 1ujd h ALA 54 Cb 1.27 0.30 -0.28 0.00 0.00 0.00 0.00 17.79 19.07 1ujd h ALA 54 CO 0.97 0.29 -0.75 0.21 0.00 0.00 0.00 179.25 179.98 1ujd s LYS 55 N -2.07 0.33 -0.37 0.00 2.47 -0.91 -4.70 119.74 114.48 1ujd s LYS 55 Ca -0.15 -0.14 -0.08 0.00 -1.56 0.00 0.00 55.97 54.04 1ujd s LYS 55 Cb 0.01 -0.32 0.04 0.00 -1.46 0.00 0.00 37.83 36.10 1ujd s LYS 55 CO 0.36 0.08 0.17 0.42 0.16 0.00 0.00 175.35 176.54 1ujd s ILE 56 N -0.07 4.13 0.64 5.43 1.01 -1.26 -1.27 121.20 129.81 1ujd s ILE 56 Ca 0.01 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 1ujd s ILE 56 Cb -0.02 -3.37 -0.15 0.00 0.01 0.00 0.00 42.46 38.93 1ujd s ILE 56 CO -0.00 -0.27 -0.29 0.18 0.00 0.00 0.00 174.94 174.56 1ujd n LEU 57 N 4.89 -4.19 -4.72 2.97 7.99 -1.24 -4.83 117.00 117.87 1ujd n LEU 57 Ca -0.12 0.53 -0.42 0.00 -0.01 0.00 0.00 56.01 56.00 1ujd n LEU 57 Cb 0.45 -0.83 -0.03 0.00 -0.11 0.00 0.00 43.42 42.89 1ujd n LEU 57 CO 0.35 -5.08 0.83 -2.16 -1.51 0.00 0.00 177.39 169.81 1ujd s PRO 58 N -1.30 4.51 -1.46 3.23 0.04 -1.26 -3.60 135.00 135.17 1ujd s PRO 58 Ca 0.53 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1ujd s PRO 58 Cb -0.41 -3.32 0.11 0.00 0.04 0.00 0.00 34.50 30.92 1ujd s PRO 58 CO 0.70 -0.09 0.28 0.41 0.04 0.00 0.00 177.00 178.34 1ujd n GLY 59 N 2.65 -0.23 1.89 0.56 0.00 -1.26 -4.89 105.19 103.91 1ujd n GLY 59 Ca 0.06 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.58 0.85 0.25 -0.02 0.00 -1.24 -4.86 105.19 98.59 1ujd n GLY 60 Ca -0.07 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.25 0.30 0.28 1.61 0.02 -1.78 0.47 113.55 114.20 1ujd h SER 61 Ca -0.16 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1ujd h SER 61 Cb 0.60 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1ujd h SER 61 CO 0.17 0.45 -0.14 0.00 -1.14 0.00 0.00 176.83 176.18 1ujd h ALA 62 N 1.59 -0.45 -0.23 3.77 0.00 -1.77 -3.17 119.26 119.00 1ujd h ALA 62 Ca 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ujd h ALA 62 Cb 0.39 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ujd h ALA 62 CO 0.02 -0.42 0.40 1.49 0.00 0.00 0.00 179.25 180.74 1ujd h GLU 63 N -0.91 0.00 0.55 0.00 4.57 -1.77 -0.99 114.58 116.03 1ujd h GLU 63 Ca -0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1ujd h GLU 63 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1ujd h GLU 63 CO 0.06 0.00 -0.31 1.96 -1.18 0.00 0.00 179.01 179.55 1ujd h GLN 64 N 0.00 -0.77 -0.78 1.92 4.20 -0.87 -2.94 115.11 115.87 1ujd h GLN 64 Ca 0.11 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.99 1ujd h GLN 64 Cb 0.92 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.74 1ujd h GLN 64 CO -0.00 -0.51 -0.39 1.79 -0.67 0.00 0.00 178.83 179.05 1ujd h THR 65 N -0.80 0.07 0.00 -0.54 1.35 -1.19 -3.45 112.91 108.36 1ujd h THR 65 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1ujd h THR 65 Cb 0.64 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1ujd h THR 65 CO 0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1ujd n GLY 66 N -1.43 3.08 0.29 5.82 0.00 -1.11 -4.82 105.19 107.02 1ujd n GLY 66 Ca 0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 0.69 -6.98 1.61 1.79 -1.88 -3.42 116.57 108.38 1ujd h LYS 67 Ca 0.00 -0.14 -0.51 0.00 -2.18 0.00 0.00 60.65 57.82 1ujd h LYS 67 Cb 0.00 -0.10 0.06 0.00 -1.58 0.00 0.00 32.23 30.61 1ujd h LYS 67 CO 0.00 0.65 0.50 -0.51 -1.08 0.00 0.00 179.45 179.01 1ujd s LEU 68 N -9.23 4.09 0.05 2.94 2.01 -1.26 -5.03 118.68 112.24 1ujd s LEU 68 Ca -0.09 2.35 -0.27 0.00 0.01 0.00 0.00 54.13 56.13 1ujd s LEU 68 Cb 0.16 -4.14 0.07 0.00 0.01 0.00 0.00 46.19 42.28 1ujd s LEU 68 CO 0.78 -0.84 0.63 -0.04 1.01 0.00 0.00 176.35 177.90 1ujd s MET 69 N -2.53 1.15 0.80 1.70 -1.94 -1.26 -4.88 119.30 112.34 1ujd s MET 69 Ca 0.61 -0.09 -0.13 0.00 -1.71 0.00 0.00 55.69 54.37 1ujd s MET 69 Cb -0.30 0.54 0.08 0.00 2.01 0.00 0.00 34.83 37.15 1ujd s MET 69 CO 0.37 -0.43 1.16 -1.21 -0.01 0.00 0.00 175.02 174.90 1ujd s GLU 70 N -2.39 1.78 -0.12 2.03 2.02 -1.26 -2.99 118.70 117.76 1ujd s GLU 70 Ca -0.05 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.52 1ujd s GLU 70 Cb -0.00 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1ujd s GLU 70 CO -0.01 -2.07 0.00 0.41 0.02 0.00 0.00 175.26 173.61 1ujd n GLY 71 N 0.05 0.48 3.60 -1.39 0.00 -0.36 -4.89 105.19 102.69 1ujd n GLY 71 Ca 0.12 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.94 4.00 -0.20 1.61 -1.94 -1.16 -1.23 119.30 119.43 1ujd s MET 72 Ca 0.00 0.05 -0.29 0.00 -1.71 0.00 0.00 55.69 53.74 1ujd s MET 72 Cb 0.00 -3.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.15 1ujd s MET 72 CO 0.00 -0.30 1.51 -1.14 -0.01 0.00 0.00 175.02 175.08 1ujd s GLN 73 N 2.10 3.93 -0.48 2.03 0.74 -1.26 -0.47 119.66 126.25 1ujd s GLN 73 Ca 0.16 1.66 -0.29 0.00 0.05 0.00 0.00 55.36 56.94 1ujd s GLN 73 Cb -0.16 -3.96 0.03 0.00 1.10 0.00 0.00 33.01 30.02 1ujd s GLN 73 CO 0.10 -1.12 1.13 0.08 -0.55 0.00 0.00 175.29 174.93 1ujd s VAL 74 N 4.65 4.21 -0.05 1.34 1.01 0.58 -3.21 120.40 128.93 1ujd s VAL 74 Ca 0.67 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.62 1ujd s VAL 74 Cb -0.24 -4.60 -0.14 0.00 0.00 0.00 0.00 36.38 31.39 1ujd s VAL 74 CO 0.26 -1.02 0.83 -0.07 0.00 0.00 0.00 175.10 175.09 1ujd h LEU 75 N 11.22 -0.23 -8.00 3.92 3.38 -0.21 -3.39 115.31 122.01 1ujd h LEU 75 Ca -0.23 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 1ujd h LEU 75 Cb 1.06 0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.67 1ujd h LEU 75 CO 1.13 0.30 -0.69 -1.61 0.09 0.00 0.00 178.44 177.65 1ujd s GLU 76 N -3.40 0.35 -0.18 1.13 2.02 -1.12 -2.26 118.70 115.25 1ujd s GLU 76 Ca -0.12 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 1ujd s GLU 76 Cb 0.01 0.12 0.04 0.00 0.10 0.00 0.00 34.13 34.40 1ujd s GLU 76 CO 0.43 -0.06 -0.05 -0.46 0.02 0.00 0.00 175.26 175.14 1ujd s TRP 77 N -1.74 1.82 -1.47 1.61 -0.11 0.26 -0.46 118.94 118.85 1ujd s TRP 77 Ca -0.13 -1.21 -0.00 0.00 1.22 0.00 0.00 56.10 55.98 1ujd s TRP 77 Cb -0.08 -1.37 0.00 0.00 -1.50 0.00 0.00 33.47 30.53 1ujd s TRP 77 CO -0.02 -0.65 0.03 0.09 -4.62 0.00 0.00 176.95 171.78 1ujd n ASN 78 N 4.84 -5.07 0.00 5.86 3.02 0.21 -1.62 115.26 122.50 1ujd n ASN 78 Ca -0.12 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1ujd n ASN 78 Cb 0.47 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.40 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujd n GLY 79 N -0.95 2.86 3.70 7.41 0.00 -1.26 -4.98 105.19 111.97 1ujd n GLY 79 Ca -0.20 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1ujd n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ujd n ILE 80 N 0.00 0.26 -1.98 -0.61 -0.00 -0.64 -4.87 119.36 111.52 1ujd n ILE 80 Ca 0.00 -0.05 -0.32 0.00 -0.00 0.00 0.00 62.75 62.38 1ujd n ILE 80 Cb 0.00 -2.06 0.01 0.00 -0.00 0.00 0.00 39.64 37.60 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 2.29 3.31 -0.23 0.38 0.04 -1.26 0.89 135.00 140.41 1ujd s PRO 81 Ca 0.80 1.13 0.12 0.00 0.04 0.00 0.00 61.00 63.09 1ujd s PRO 81 Cb -0.50 -2.03 0.45 0.00 0.04 0.00 0.00 34.50 32.45 1ujd s PRO 81 CO 0.36 -0.81 1.19 1.28 0.04 0.00 0.00 177.00 179.06 1ujd n LEU 82 N -2.21 3.40 -4.63 -3.56 4.77 -0.96 -4.82 117.00 108.98 1ujd n LEU 82 Ca 0.08 -4.01 -0.34 0.00 -0.03 0.00 0.00 56.01 51.72 1ujd n LEU 82 Cb 0.53 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1ujd n LEU 82 CO 0.49 1.59 -0.34 -0.89 -1.33 0.00 0.00 177.39 176.91 1ujd s THR 83 N -3.60 3.99 -1.21 -5.08 2.01 -1.26 -2.27 115.64 108.22 1ujd s THR 83 Ca 0.42 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1ujd s THR 83 Cb 0.38 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1ujd s THR 83 CO -0.03 0.57 0.61 -0.24 -0.69 0.00 0.00 174.62 174.85 1ujd n SER 84 N 2.09 -5.31 0.00 3.53 2.88 0.11 -4.97 113.62 111.94 1ujd n SER 84 Ca -0.18 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1ujd n SER 84 Cb 0.53 -4.09 0.00 0.00 -0.75 0.00 0.00 64.21 59.90 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 -3.57 3.52 -4.15 -1.46 4.76 -1.26 -5.04 118.16 110.97 1ujd n LYS 85 Ca -0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.28 1ujd n LYS 85 Cb 0.58 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.67 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 0.99 0.26 0.10 -0.18 -4.23 -1.26 -3.48 115.64 107.84 1ujd s THR 86 Ca 0.00 -1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 58.37 1ujd s THR 86 Cb 0.00 -1.87 -0.08 0.00 1.34 0.00 0.00 72.50 71.89 1ujd s THR 86 CO 0.00 -0.66 1.41 0.22 -0.54 0.00 0.00 174.62 175.05 1ujd h TYR 87 N 2.94 -1.28 0.01 3.99 5.03 -1.91 0.66 116.97 126.40 1ujd h TYR 87 Ca -0.35 0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.04 1ujd h TYR 87 Cb 1.18 0.60 -0.03 0.00 1.55 0.00 0.00 36.73 40.02 1ujd h TYR 87 CO 0.49 -0.36 -0.33 0.93 -1.32 0.00 0.00 178.16 177.56 1ujd h GLU 88 N -0.28 -0.41 -0.27 1.82 5.08 -1.97 0.54 114.58 119.09 1ujd h GLU 88 Ca 0.06 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1ujd h GLU 88 Cb 0.43 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1ujd h GLU 88 CO -0.46 -0.27 -0.29 0.93 -1.00 0.00 0.00 179.01 177.92 1ujd h GLU 89 N -0.42 -0.16 -0.39 2.33 5.08 -1.87 0.27 114.58 119.41 1ujd h GLU 89 Ca 0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ujd h GLU 89 Cb 0.45 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1ujd h GLU 89 CO -0.22 -0.11 -0.49 0.28 -1.00 0.00 0.00 179.01 177.48 1ujd h VAL 90 N -0.16 0.00 -0.61 3.13 2.07 0.54 -1.14 116.25 120.08 1ujd h VAL 90 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1ujd h VAL 90 Cb 0.29 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.98 1ujd h VAL 90 CO -0.34 0.00 -0.42 -0.61 0.02 0.00 0.00 177.57 176.22 1ujd h GLN 91 N -0.32 -0.07 -0.97 1.57 4.15 0.94 0.32 115.11 120.73 1ujd h GLN 91 Ca 0.07 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.68 1ujd h GLN 91 Cb 0.50 0.02 -0.18 0.00 0.21 0.00 0.00 27.48 28.03 1ujd h GLN 91 CO -0.54 -0.05 -0.28 1.03 -1.93 0.00 0.00 178.83 177.06 1ujd h SER 92 N -0.07 -1.05 -0.79 -0.69 0.87 0.43 2.71 113.55 114.96 1ujd h SER 92 Ca 0.10 0.30 0.10 0.00 -1.23 0.00 0.00 61.79 61.05 1ujd h SER 92 Cb 0.33 0.64 -0.07 0.00 -0.44 0.00 0.00 62.40 62.86 1ujd h SER 92 CO -0.61 -0.31 0.43 0.40 -0.53 0.00 0.00 176.83 176.21 1ujd h ILE 93 N -0.00 0.88 0.16 2.23 2.04 0.72 -3.05 117.51 120.48 1ujd h ILE 93 Ca 0.43 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1ujd h ILE 93 Cb 0.68 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1ujd h ILE 93 CO -1.00 0.13 -0.08 0.40 0.00 0.00 0.00 178.15 177.61 1ujd h ILE 94 N 0.72 0.00 -0.66 -0.67 2.04 0.44 -3.45 117.51 115.94 1ujd h ILE 94 Ca 0.39 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1ujd h ILE 94 Cb 0.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1ujd h ILE 94 CO -0.26 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 176.69 1ujd n SER 95 N -3.94 -1.31 0.00 1.72 7.64 0.78 -3.82 113.62 114.69 1ujd n SER 95 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1ujd n SER 95 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ujd n SER 95 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ujd n GLN 96 N -1.31 0.00 -2.30 1.43 0.00 -1.26 -4.83 117.38 109.11 1ujd n GLN 96 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.64 1ujd n GLN 96 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1ujd n GLN 96 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1ujd s GLN 97 N 0.00 3.71 -0.27 3.69 -2.07 -1.25 -5.03 119.66 118.44 1ujd s GLN 97 Ca 0.00 1.69 -0.03 0.00 -1.82 0.00 0.00 55.36 55.20 1ujd s GLN 97 Cb 0.00 -2.31 0.09 0.00 -1.09 0.00 0.00 33.01 29.70 1ujd s GLN 97 CO 0.00 -0.57 0.11 0.45 -1.32 0.00 0.00 175.29 173.96 1ujd s SER 98 N -1.50 3.45 0.00 12.60 0.15 -1.26 -4.93 113.70 122.20 1ujd s SER 98 Ca 0.65 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1ujd s SER 98 Cb -0.26 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1ujd s SER 98 CO 0.31 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1ujd n GLY 99 N 5.16 0.29 3.44 9.45 0.00 -1.26 -5.05 105.19 117.21 1ujd n GLY 99 Ca -0.06 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 1ujd n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ujd n GLU 100 N 0.00 0.34 -3.55 1.61 2.13 -1.26 -4.70 120.64 115.21 1ujd n GLU 100 Ca 0.00 0.15 -0.09 0.00 0.66 0.00 0.00 57.16 57.88 1ujd n GLU 100 Cb 0.00 -1.72 -0.02 0.00 0.27 0.00 0.00 31.44 29.98 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ujd s ALA 101 N -1.86 -1.62 -0.08 4.31 0.00 -0.56 -4.99 121.76 116.95 1ujd s ALA 101 Ca 0.65 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1ujd s ALA 101 Cb -0.38 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1ujd s ALA 101 CO 0.58 -0.81 -0.17 -1.21 0.00 0.00 0.00 175.76 174.15 1ujd s GLU 102 N -3.52 2.87 -0.07 0.00 2.02 -1.26 0.58 118.70 119.32 1ujd s GLU 102 Ca 0.05 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.34 1ujd s GLU 102 Cb -0.02 -2.42 -0.00 0.00 0.10 0.00 0.00 34.13 31.79 1ujd s GLU 102 CO -0.07 0.39 -0.22 -1.50 0.02 0.00 0.00 175.26 173.88 1ujd s ILE 103 N -0.14 1.86 -0.26 -1.63 2.07 -0.96 0.64 121.20 122.78 1ujd s ILE 103 Ca -0.02 -0.93 -0.02 0.00 -1.41 0.00 0.00 60.65 58.27 1ujd s ILE 103 Cb -0.14 -1.59 0.03 0.00 0.13 0.00 0.00 42.46 40.89 1ujd s ILE 103 CO 0.04 0.52 -0.04 0.00 -1.91 0.00 0.00 174.94 173.55 1ujd s VAL 105 N 1.32 1.42 -0.20 0.00 -7.23 -1.22 0.52 120.40 115.02 1ujd s VAL 105 Ca -0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1ujd s VAL 105 Cb -0.17 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 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 -3.80 3.31 0.05 4.82 3.52 -1.20 -3.10 118.95 122.54 1ujd s ARG 106 Ca 0.20 -0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 54.96 1ujd s ARG 106 Cb 0.05 -2.86 -0.08 0.00 -1.56 0.00 0.00 34.95 30.51 1ujd s ARG 106 CO 0.10 -0.12 1.26 -0.07 -0.81 0.00 0.00 175.30 175.67 1ujd h LEU 107 N 7.80 -0.72 -7.96 -0.88 3.38 -1.40 -3.23 115.31 112.30 1ujd h LEU 107 Ca -0.39 0.07 -0.55 0.00 0.09 0.00 0.00 57.88 57.10 1ujd h LEU 107 Cb 1.17 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 42.10 1ujd h LEU 107 CO 0.60 -0.29 1.69 -0.62 0.09 0.00 0.00 178.44 179.91 1ujd s ASP 108 N -3.38 6.19 -0.16 -0.43 2.15 -1.25 -4.82 116.67 114.98 1ujd s ASP 108 Ca -0.08 -1.95 -0.30 0.00 0.43 0.00 0.00 52.55 50.65 1ujd s ASP 108 Cb 0.02 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 40.18 1ujd s ASP 108 CO 0.29 -1.83 0.95 -0.22 -0.17 0.00 0.00 175.17 174.19 1ujd s LEU 109 N 6.53 -0.43 -0.21 -1.34 1.98 -1.22 -4.97 118.68 119.01 1ujd s LEU 109 Ca 0.58 0.52 -0.19 0.00 -2.89 0.00 0.00 54.13 52.14 1ujd s LEU 109 Cb 0.01 1.97 0.06 0.00 0.66 0.00 0.00 46.19 48.89 1ujd s LEU 109 CO 0.06 -0.36 0.56 0.21 -1.89 0.00 0.00 176.35 174.93 1ujd s ASN 110 N -0.95 -0.60 -0.12 3.68 2.47 -1.25 -4.79 114.94 113.39 1ujd s ASN 110 Ca -0.03 1.14 -0.00 0.00 0.42 0.00 0.00 52.86 54.39 1ujd s ASN 110 Cb -0.01 1.14 0.02 0.00 -1.45 0.00 0.00 41.25 40.95 1ujd s ASN 110 CO 0.02 -0.20 -0.09 -0.04 -3.72 0.00 0.00 177.10 173.07 1ujd s MET 111 N 0.44 1.68 0.25 0.43 -1.94 -0.37 -4.74 119.30 115.05 1ujd s MET 111 Ca -0.01 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 1ujd s MET 111 Cb -0.04 -1.67 0.00 0.00 2.01 0.00 0.00 34.83 35.13 1ujd s MET 111 CO -0.01 -0.24 0.00 0.45 -0.01 0.00 0.00 175.02 175.21 1ujd n SER 112 N 4.83 -2.07 0.00 3.03 2.88 -1.26 -4.47 113.62 116.56 1ujd n SER 112 Ca -0.14 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1ujd n SER 112 Cb 0.50 2.13 0.00 0.00 -0.75 0.00 0.00 64.21 66.09 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 -1.08 0.61 3.73 0.46 0.00 -1.26 -4.68 105.19 102.97 1ujd n GLY 113 Ca 0.00 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 4.54 -0.30 1.61 0.04 -1.26 -5.01 135.00 134.62 1ujd s PRO 114 Ca 0.00 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 1ujd s PRO 114 Cb 0.00 -3.30 0.20 0.00 0.04 0.00 0.00 34.50 31.44 1ujd s PRO 114 CO 0.00 -0.03 1.43 0.45 0.04 0.00 0.00 177.00 178.89 1ujd s SER 115 N 0.26 -0.03 1.03 6.66 0.15 -1.26 -5.16 113.70 115.34 1ujd s SER 115 Ca 0.52 0.07 -0.15 0.00 0.70 0.00 0.00 55.95 57.09 1ujd s SER 115 Cb -0.29 0.23 0.08 0.00 -1.71 0.00 0.00 66.02 64.32 1ujd s SER 115 CO 0.33 -0.01 0.30 -1.20 1.20 0.00 0.00 173.24 173.86 1ujd n SER 116 N 1.81 -2.10 0.00 5.45 7.64 -1.26 -5.24 113.62 119.92 1ujd n SER 116 Ca -0.11 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1ujd n SER 116 Cb 0.57 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1ujd n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64