#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 -2.74 -4.79 1.61 7.64 -1.26 -5.15 113.62 108.93 1ujd n SER 2 Ca 0.00 0.68 -0.22 0.00 1.01 0.00 0.00 58.87 60.34 1ujd n SER 2 Cb 0.00 2.70 -0.05 0.00 -1.01 0.00 0.00 64.21 65.85 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 -2.00 5.24 0.00 6.43 0.15 -1.26 -5.08 113.70 117.19 1ujd s SER 3 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1ujd s SER 3 Cb 0.00 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1ujd s SER 3 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1ujd n GLY 4 N -1.17 0.50 3.57 9.45 0.00 -1.26 -5.04 105.19 111.24 1ujd n GLY 4 Ca -0.06 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1ujd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujd s SER 5 N 1.00 6.10 0.42 1.61 0.01 -1.26 -4.66 113.70 116.92 1ujd s SER 5 Ca 0.00 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1ujd s SER 5 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1ujd s SER 5 CO 0.00 -1.74 0.00 -0.24 0.41 0.00 0.00 173.24 171.67 1ujd n SER 6 N 9.68 -8.94 -3.21 2.44 2.88 -1.26 -4.94 113.62 110.26 1ujd n SER 6 Ca 0.12 1.27 -0.24 0.00 -1.33 0.00 0.00 58.87 58.70 1ujd n SER 6 Cb 0.49 -4.78 -0.06 0.00 -0.75 0.00 0.00 64.21 59.11 1ujd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 7 N -0.01 3.75 3.88 0.46 0.00 -1.26 -5.02 105.19 106.98 1ujd n GLY 7 Ca 0.00 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.98 2.79 0.42 1.61 2.46 -1.26 -5.14 115.29 114.19 1ujd s HIS 8 Ca 0.39 -0.42 0.07 0.00 0.47 0.00 0.00 55.06 55.57 1ujd s HIS 8 Cb 0.22 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.57 1ujd s HIS 8 CO -0.08 -0.03 0.23 0.71 -2.47 0.00 0.00 174.74 173.09 1ujd s TYR 9 N -2.40 2.54 -0.19 3.88 1.51 -1.26 -5.02 117.35 116.41 1ujd s TYR 9 Ca 0.46 -0.60 0.19 0.00 -1.01 0.00 0.00 57.07 56.12 1ujd s TYR 9 Cb -0.05 -1.99 0.31 0.00 -0.11 0.00 0.00 41.96 40.12 1ujd s TYR 9 CO 0.28 0.09 1.56 -0.84 -1.11 0.00 0.00 175.55 175.53 1ujd h ILE 10 N 1.31 0.54 -2.05 2.71 3.07 -2.05 -3.45 117.51 117.59 1ujd h ILE 10 Ca -0.42 -1.65 -0.50 0.00 1.55 0.00 0.00 64.86 63.84 1ujd h ILE 10 Cb 1.26 2.18 -0.04 0.00 -0.27 0.00 0.00 36.82 39.95 1ujd h ILE 10 CO 0.67 0.29 -0.49 0.72 -1.05 0.00 0.00 178.15 178.30 1ujd s PHE 11 N -3.15 3.03 -0.20 0.16 -0.12 -1.26 -5.07 117.98 111.37 1ujd s PHE 11 Ca 0.04 -0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 56.44 1ujd s PHE 11 Cb 0.07 -1.58 -0.01 0.00 -0.63 0.00 0.00 43.02 40.87 1ujd s PHE 11 CO 0.70 0.37 1.29 -1.25 -0.05 0.00 0.00 175.22 176.28 1ujd s PRO 12 N -3.91 4.14 0.20 1.99 0.04 -1.26 -4.99 135.00 131.20 1ujd s PRO 12 Ca 0.36 1.57 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1ujd s PRO 12 Cb -0.07 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 1ujd s PRO 12 CO 0.26 -0.83 -0.03 -3.38 0.04 0.00 0.00 177.00 173.05 1ujd s HIS 13 N 3.79 1.46 -0.29 0.56 -3.43 -1.26 -0.10 115.29 116.01 1ujd s HIS 13 Ca 0.56 -0.88 0.02 0.00 -0.80 0.00 0.00 55.06 53.96 1ujd s HIS 13 Cb -0.21 -0.82 0.08 0.00 -1.43 0.00 0.00 32.58 30.21 1ujd s HIS 13 CO 0.17 -0.01 0.02 0.00 -2.00 0.00 0.00 174.74 172.93 1ujd s ALA 14 N -3.40 2.19 -0.62 -1.38 0.00 -0.38 -4.71 121.76 113.46 1ujd s ALA 14 Ca 0.25 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.14 1ujd s ALA 14 Cb 0.05 -1.68 0.10 0.00 0.00 0.00 0.00 23.12 21.59 1ujd s ALA 14 CO 0.06 -1.49 0.78 0.50 0.00 0.00 0.00 175.76 175.61 1ujd s ARG 15 N 1.27 3.08 0.03 0.00 3.00 -1.26 -3.59 118.95 121.49 1ujd s ARG 15 Ca 0.04 -1.22 0.09 0.00 -1.00 0.00 0.00 55.73 53.64 1ujd s ARG 15 Cb -0.18 -4.28 -0.03 0.00 0.00 0.00 0.00 34.95 30.46 1ujd s ARG 15 CO -0.12 -1.62 -0.26 0.42 0.00 0.00 0.00 175.30 173.72 1ujd s ILE 16 N 3.02 2.15 0.22 4.11 1.09 -1.22 -5.04 121.20 125.53 1ujd s ILE 16 Ca 0.15 -1.33 0.02 0.00 -1.10 0.00 0.00 60.65 58.38 1ujd s ILE 16 Cb -0.22 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.33 1ujd s ILE 16 CO 0.07 0.40 0.38 -1.59 -0.10 0.00 0.00 174.94 174.10 1ujd s LYS 17 N -1.13 3.47 -0.19 2.79 -2.85 -1.26 -3.03 119.74 117.54 1ujd s LYS 17 Ca 0.12 -0.51 0.01 0.00 -1.00 0.00 0.00 55.97 54.58 1ujd s LYS 17 Cb -0.10 -2.86 0.03 0.00 -2.06 0.00 0.00 37.83 32.84 1ujd s LYS 17 CO 0.02 0.40 -0.16 0.42 0.10 0.00 0.00 175.35 176.13 1ujd s ILE 18 N -1.94 1.89 0.29 3.79 1.01 0.79 -4.98 121.20 122.05 1ujd s ILE 18 Ca 0.37 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 1ujd s ILE 18 Cb -0.10 -1.81 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 1ujd s ILE 18 CO 0.30 0.37 0.76 0.42 0.00 0.00 0.00 174.94 176.79 1ujd s THR 19 N 1.33 4.59 0.11 2.92 -4.23 -1.26 -0.26 115.64 118.83 1ujd s THR 19 Ca 0.02 1.17 -0.21 0.00 -1.18 0.00 0.00 61.69 61.48 1ujd s THR 19 Cb -0.15 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.90 1ujd s THR 19 CO -0.10 -0.03 0.64 -0.60 -0.54 0.00 0.00 174.62 173.99 1ujd s ARG 20 N -2.56 4.33 -0.22 3.99 6.06 -1.26 -4.80 118.95 124.50 1ujd s ARG 20 Ca 0.50 0.89 -0.09 0.00 -2.50 0.00 0.00 55.73 54.54 1ujd s ARG 20 Cb -0.13 -3.25 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 1ujd s ARG 20 CO 0.19 0.62 0.10 -0.51 -2.50 0.00 0.00 175.30 173.20 1ujd s ASP 21 N -1.12 5.73 -0.61 -2.12 1.11 -1.26 -4.87 116.67 113.52 1ujd s ASP 21 Ca 0.31 0.04 -0.25 0.00 0.18 0.00 0.00 52.55 52.84 1ujd s ASP 21 Cb -0.21 -2.01 0.04 0.00 1.07 0.00 0.00 42.92 41.81 1ujd s ASP 21 CO 0.22 0.09 1.03 -0.44 1.18 0.00 0.00 175.17 177.25 1ujd s SER 22 N 0.86 6.29 0.38 0.27 0.01 -1.26 -4.80 113.70 115.45 1ujd s SER 22 Ca 0.05 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1ujd s SER 22 Cb -0.13 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1ujd s SER 22 CO 0.03 -1.40 0.00 0.29 0.41 0.00 0.00 173.24 172.57 1ujd n LYS 23 N 7.93 -2.82 0.08 12.44 5.02 -1.26 -5.06 118.16 134.49 1ujd n LYS 23 Ca 0.02 2.16 0.00 0.00 -2.02 0.00 0.00 58.31 58.46 1ujd n LYS 23 Cb 0.47 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 1ujd n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ujd n ASP 24 N -1.82 -1.48 -2.67 4.39 -0.08 -1.26 -5.04 116.55 108.59 1ujd n ASP 24 Ca 0.00 0.60 -0.04 0.00 -1.51 0.00 0.00 54.79 53.84 1ujd n ASP 24 Cb 0.22 1.67 0.10 0.00 2.34 0.00 0.00 41.12 45.44 1ujd n ASP 24 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1ujd n HIS 25 N -3.05 -0.70 -3.65 -0.67 -0.00 -1.26 -5.16 115.22 100.73 1ujd n HIS 25 Ca 0.00 -0.83 -0.09 0.00 -0.00 0.00 0.00 57.72 56.80 1ujd n HIS 25 Cb 0.00 1.18 -0.02 0.00 -0.00 0.00 0.00 29.99 31.15 1ujd n HIS 25 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1ujd s THR 26 N 0.10 0.00 -0.42 3.57 -1.32 -1.26 -5.09 115.64 111.23 1ujd s THR 26 Ca 0.23 -0.50 0.09 0.00 -1.21 0.00 0.00 61.69 60.30 1ujd s THR 26 Cb 0.26 -1.52 0.36 0.00 -1.51 0.00 0.00 72.50 70.09 1ujd s THR 26 CO -0.15 0.00 1.11 0.55 -2.21 0.00 0.00 174.62 173.92 1ujd n VAL 27 N -0.42 0.06 0.15 5.08 3.14 -1.26 -4.96 118.33 120.13 1ujd n VAL 27 Ca -0.10 -2.11 0.00 0.00 -2.96 0.00 0.00 64.34 59.17 1ujd n VAL 27 Cb 0.62 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 34.42 1ujd n VAL 27 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ujd n SER 28 N 0.05 -1.81 0.00 6.55 2.88 -1.26 -5.15 113.62 114.88 1ujd n SER 28 Ca 0.07 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1ujd n SER 28 Cb 0.75 1.83 0.00 0.00 -0.75 0.00 0.00 64.21 66.03 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 -0.01 1.74 3.53 0.46 0.00 -1.26 -5.16 105.19 104.50 1ujd n GLY 29 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 3.71 -1.12 1.61 2.47 -1.26 -5.06 114.94 115.29 1ujd s ASN 30 Ca 0.00 -1.16 -0.04 0.00 0.42 0.00 0.00 52.86 52.08 1ujd s ASN 30 Cb 0.00 -0.34 0.28 0.00 -1.45 0.00 0.00 41.25 39.73 1ujd s ASN 30 CO 0.00 -0.15 1.70 0.61 -3.72 0.00 0.00 177.10 175.54 1ujd n GLY 31 N -0.76 5.36 1.06 1.21 0.00 -1.26 -4.95 105.19 105.85 1ujd n GLY 31 Ca -0.05 -2.51 0.02 0.00 0.00 0.00 0.00 46.02 43.47 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 1.40 -1.09 -2.77 0.99 4.77 -1.26 -4.35 117.00 114.69 1ujd n LEU 32 Ca 0.36 1.91 -0.27 0.00 -0.03 0.00 0.00 56.01 57.98 1ujd n LEU 32 Cb 0.31 -1.86 -0.08 0.00 -2.33 0.00 0.00 43.42 39.46 1ujd n LEU 32 CO 0.69 -0.68 2.59 0.61 -1.33 0.00 0.00 177.39 179.28 1ujd n GLY 33 N -2.44 3.63 2.99 -0.72 0.00 -1.26 -4.80 105.19 102.60 1ujd n GLY 33 Ca -0.01 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 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 1.78 1.10 -0.08 -0.61 2.07 -1.26 -3.84 121.20 120.36 1ujd s ILE 34 Ca 0.66 -0.43 0.03 0.00 -1.41 0.00 0.00 60.65 59.50 1ujd s ILE 34 Cb 0.23 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 41.79 1ujd s ILE 34 CO -0.03 0.36 -0.18 -0.13 -1.91 0.00 0.00 174.94 173.04 1ujd s ARG 35 N 0.91 2.37 -0.02 3.50 1.81 -1.23 -5.01 118.95 121.28 1ujd s ARG 35 Ca -0.10 -0.64 0.01 0.00 -1.72 0.00 0.00 55.73 53.28 1ujd s ARG 35 Cb -0.15 -1.85 0.02 0.00 -0.45 0.00 0.00 34.95 32.51 1ujd s ARG 35 CO 0.01 0.09 -0.02 0.42 -0.68 0.00 0.00 175.30 175.12 1ujd s ILE 36 N 0.53 0.25 -0.16 1.52 1.01 -1.26 -0.73 121.20 122.36 1ujd s ILE 36 Ca -0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1ujd s ILE 36 Cb -0.17 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1ujd s ILE 36 CO 0.06 0.13 -0.01 -0.69 0.00 0.00 0.00 174.94 174.43 1ujd s VAL 37 N 0.65 4.12 0.61 2.92 1.01 0.17 -4.68 120.40 125.20 1ujd s VAL 37 Ca -0.07 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1ujd s VAL 37 Cb -0.10 -2.82 0.10 0.00 0.00 0.00 0.00 36.38 33.56 1ujd s VAL 37 CO -0.01 0.49 0.84 -0.83 0.00 0.00 0.00 175.10 175.59 1ujd s GLY 38 N 0.36 1.70 -1.22 4.51 0.00 -1.26 -0.95 107.32 110.47 1ujd s GLY 38 Ca -0.02 -2.20 -0.05 0.00 0.00 0.00 0.00 44.72 42.45 1ujd s GLY 38 CO 0.02 -1.68 1.05 0.61 0.00 0.00 0.00 173.10 173.09 1ujd n GLY 39 N -2.35 -0.40 3.04 0.20 0.00 -0.61 -3.38 105.19 101.69 1ujd n GLY 39 Ca 0.17 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.87 1.95 0.40 1.61 2.20 -0.74 -4.85 119.74 114.45 1ujd s LYS 40 Ca 0.34 -0.48 -0.26 0.00 -0.36 0.00 0.00 55.97 55.21 1ujd s LYS 40 Cb -0.15 -1.64 -0.10 0.00 -1.51 0.00 0.00 37.83 34.42 1ujd s LYS 40 CO 0.68 -0.02 1.32 -1.91 -0.36 0.00 0.00 175.35 175.07 1ujd n GLU 41 N 4.02 2.10 -3.57 4.03 2.13 -1.26 0.35 120.64 128.44 1ujd n GLU 41 Ca -0.20 0.74 -0.38 0.00 0.66 0.00 0.00 57.16 57.98 1ujd n GLU 41 Cb 0.51 -2.43 -0.06 0.00 0.27 0.00 0.00 31.44 29.73 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 -1.17 5.17 -0.65 6.31 1.01 0.66 -4.81 121.20 127.72 1ujd s ILE 42 Ca 0.59 0.68 -0.27 0.00 0.00 0.00 0.00 60.65 61.65 1ujd s ILE 42 Cb -0.51 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1ujd s ILE 42 CO 0.60 0.54 1.55 -2.16 0.00 0.00 0.00 174.94 175.47 1ujd s PRO 43 N -0.74 2.97 0.00 2.79 0.04 -1.26 -3.42 135.00 135.38 1ujd s PRO 43 Ca 0.21 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1ujd s PRO 43 Cb -0.15 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1ujd s PRO 43 CO 0.10 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.19 1ujd n GLY 44 N 5.50 3.21 3.37 0.56 0.00 -1.26 -5.01 105.19 111.56 1ujd n GLY 44 Ca 0.12 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -1.70 -2.15 1.61 -0.00 -1.22 -4.72 115.22 107.03 1ujd n HIS 45 Ca 0.00 0.40 -0.30 0.00 0.46 0.00 0.00 57.72 58.29 1ujd n HIS 45 Cb 0.00 -1.83 -0.05 0.00 -0.12 0.00 0.00 29.99 27.99 1ujd n HIS 45 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1ujd s SER 46 N -1.16 5.40 -1.09 0.26 0.01 -1.26 -4.14 113.70 111.71 1ujd s SER 46 Ca 0.63 -1.07 -0.24 0.00 1.31 0.00 0.00 55.95 56.57 1ujd s SER 46 Cb -0.43 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.26 1ujd s SER 46 CO 0.60 -2.55 0.65 0.61 0.41 0.00 0.00 173.24 172.96 1ujd n GLY 47 N 6.59 -0.99 3.27 3.44 0.00 -1.26 -4.95 105.19 111.29 1ujd n GLY 47 Ca 0.40 0.42 -0.23 0.00 0.00 0.00 0.00 46.02 46.62 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 -6.71 1.09 0.28 1.61 2.56 -1.26 -5.04 118.70 111.22 1ujd s GLU 48 Ca 0.34 -1.16 0.06 0.00 0.00 0.00 0.00 54.97 54.21 1ujd s GLU 48 Cb -0.19 -1.29 -0.02 0.00 2.00 0.00 0.00 34.13 34.62 1ujd s GLU 48 CO 0.95 0.29 0.37 0.96 -0.56 0.00 0.00 175.26 177.27 1ujd s ILE 49 N -1.29 4.68 0.00 -3.70 -4.36 -1.26 -0.25 121.20 115.03 1ujd s ILE 49 Ca 0.06 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 1ujd s ILE 49 Cb -0.09 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.00 1ujd s ILE 49 CO 0.04 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.56 1ujd n GLY 50 N -1.44 2.42 3.14 6.27 0.00 0.16 -3.34 105.19 112.40 1ujd n GLY 50 Ca -0.06 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 1.43 0.05 4.61 0.00 -1.26 -1.57 121.76 124.02 1ujd s ALA 51 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ujd s ALA 51 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1ujd s ALA 51 CO 0.00 0.32 -0.08 1.52 0.00 0.00 0.00 175.76 177.51 1ujd s TYR 52 N -0.23 0.76 -0.60 0.00 1.13 -0.12 0.40 117.35 118.70 1ujd s TYR 52 Ca 0.03 -0.56 -0.27 0.00 -1.41 0.00 0.00 57.07 54.86 1ujd s TYR 52 Cb -0.08 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.31 1ujd s TYR 52 CO 0.00 -0.08 1.86 0.42 -2.51 0.00 0.00 175.55 175.24 1ujd s ILE 53 N -1.73 3.36 0.14 -3.49 1.01 -0.47 0.44 121.20 120.47 1ujd s ILE 53 Ca -0.06 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1ujd s ILE 53 Cb -0.08 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1ujd s ILE 53 CO -0.00 -0.88 1.56 0.00 0.00 0.00 0.00 174.94 175.62 1ujd h ALA 54 N 14.87 -0.63 -2.91 9.38 0.00 -1.25 -2.76 119.26 135.97 1ujd h ALA 54 Ca -0.26 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1ujd h ALA 54 Cb 1.16 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 1ujd h ALA 54 CO 1.21 -0.97 0.30 -1.59 0.00 0.00 0.00 179.25 178.20 1ujd s LYS 55 N -5.75 1.93 -0.02 0.00 0.00 -1.24 -4.57 119.74 110.08 1ujd s LYS 55 Ca -0.15 -1.18 0.04 0.00 0.00 0.00 0.00 55.97 54.68 1ujd s LYS 55 Cb 0.10 0.58 -0.01 0.00 0.00 0.00 0.00 37.83 38.51 1ujd s LYS 55 CO 0.63 -0.90 -0.14 0.42 0.00 0.00 0.00 175.35 175.37 1ujd s ILE 56 N -2.92 1.12 0.97 3.79 1.01 -1.26 -3.49 121.20 120.43 1ujd s ILE 56 Ca 0.14 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1ujd s ILE 56 Cb -0.05 -0.95 0.18 0.00 0.01 0.00 0.00 42.46 41.65 1ujd s ILE 56 CO 0.09 0.32 1.09 -0.76 0.00 0.00 0.00 174.94 175.68 1ujd s LEU 57 N -0.15 2.05 -0.72 2.97 1.02 -1.25 -4.88 118.68 117.73 1ujd s LEU 57 Ca 0.02 1.72 -0.26 0.00 0.02 0.00 0.00 54.13 55.63 1ujd s LEU 57 Cb -0.07 -3.99 0.00 0.00 0.02 0.00 0.00 46.19 42.15 1ujd s LEU 57 CO 0.00 -3.21 1.58 -2.16 0.02 0.00 0.00 176.35 172.58 1ujd s PRO 58 N -4.71 2.94 -0.86 1.29 0.04 -1.26 -3.67 135.00 128.77 1ujd s PRO 58 Ca 0.66 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.71 1ujd s PRO 58 Cb -0.21 -4.40 -0.05 0.00 0.04 0.00 0.00 34.50 29.87 1ujd s PRO 58 CO 0.59 -2.48 0.75 0.41 0.04 0.00 0.00 177.00 176.31 1ujd n GLY 59 N 5.71 -0.69 0.00 0.56 0.00 -1.26 -5.05 105.19 104.47 1ujd n GLY 59 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.26 1.73 0.21 -0.02 0.00 -1.24 -4.85 105.19 99.76 1ujd n GLY 60 Ca -0.08 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 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 0.89 -0.07 1.61 0.02 -1.92 0.52 113.55 114.60 1ujd h SER 61 Ca 0.00 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 1ujd h SER 61 Cb 0.00 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1ujd h SER 61 CO 0.00 1.43 -0.02 0.00 -1.14 0.00 0.00 176.83 177.10 1ujd h ALA 62 N 0.54 0.10 -0.00 3.77 0.00 -1.94 -2.89 119.26 118.84 1ujd h ALA 62 Ca -0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1ujd h ALA 62 Cb 1.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ujd h ALA 62 CO 0.17 -0.18 -0.32 1.49 0.00 0.00 0.00 179.25 180.41 1ujd h GLU 63 N -0.19 0.01 -0.79 0.00 4.81 -1.83 -2.84 114.58 113.74 1ujd h GLU 63 Ca 0.02 -0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.43 1ujd h GLU 63 Cb 0.41 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.67 1ujd h GLU 63 CO 0.01 0.33 0.23 1.96 -0.73 0.00 0.00 179.01 180.81 1ujd h GLN 64 N 0.01 0.29 -0.16 1.92 4.20 -0.66 0.64 115.11 121.34 1ujd h GLN 64 Ca -0.00 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1ujd h GLN 64 Cb 0.58 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1ujd h GLN 64 CO 0.04 0.19 0.00 1.79 -0.67 0.00 0.00 178.83 180.19 1ujd h THR 65 N 0.29 0.90 0.00 -0.54 1.35 -1.51 -3.47 112.91 109.93 1ujd h THR 65 Ca 0.46 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 1ujd h THR 65 Cb 0.83 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1ujd h THR 65 CO -0.53 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 1ujd n GLY 66 N -1.16 2.91 0.28 5.82 0.00 0.21 -4.88 105.19 108.37 1ujd n GLY 66 Ca -0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1ujd n GLY 66 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ujd h LYS 67 N 0.00 -0.66 -6.16 1.61 3.64 -1.84 -3.43 116.57 109.73 1ujd h LYS 67 Ca 0.00 0.04 -0.72 0.00 -1.27 0.00 0.00 60.65 58.71 1ujd h LYS 67 Cb 0.00 0.15 0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1ujd h LYS 67 CO 0.00 -0.44 0.21 1.28 -2.27 0.00 0.00 179.45 178.24 1ujd n LEU 68 N -4.39 0.80 -4.06 5.20 7.99 -1.26 -4.96 117.00 116.33 1ujd n LEU 68 Ca -0.08 1.14 -0.11 0.00 -0.01 0.00 0.00 56.01 56.94 1ujd n LEU 68 Cb 0.27 -1.07 -0.11 0.00 -0.11 0.00 0.00 43.42 42.40 1ujd n LEU 68 CO 0.20 -1.54 -0.39 -0.32 -1.51 0.00 0.00 177.39 173.84 1ujd s MET 69 N 0.08 0.52 0.46 3.23 -2.45 -1.26 -4.78 119.30 115.10 1ujd s MET 69 Ca 0.84 -0.84 -0.24 0.00 -1.25 0.00 0.00 55.69 54.21 1ujd s MET 69 Cb -1.06 -0.13 -0.07 0.00 1.25 0.00 0.00 34.83 34.81 1ujd s MET 69 CO 0.52 0.00 1.23 -1.21 1.05 0.00 0.00 175.02 176.61 1ujd s GLU 70 N -2.07 3.71 0.00 4.11 2.02 -1.26 -3.04 118.70 122.16 1ujd s GLU 70 Ca -0.07 1.95 0.00 0.00 0.02 0.00 0.00 54.97 56.87 1ujd s GLU 70 Cb -0.06 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1ujd s GLU 70 CO -0.02 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1ujd n GLY 71 N 0.57 0.38 3.75 -1.39 0.00 -1.04 -4.86 105.19 102.60 1ujd n GLY 71 Ca 0.07 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.72 3.74 -0.25 1.61 -1.94 -1.17 -0.33 119.30 118.25 1ujd s MET 72 Ca 0.00 -0.24 -0.29 0.00 -1.71 0.00 0.00 55.69 53.45 1ujd s MET 72 Cb 0.00 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.63 1ujd s MET 72 CO 0.00 0.51 1.09 -1.14 -0.01 0.00 0.00 175.02 175.47 1ujd s GLN 73 N -0.27 4.19 -0.41 2.03 0.74 -1.26 -1.37 119.66 123.31 1ujd s GLN 73 Ca 0.10 1.32 -0.23 0.00 0.05 0.00 0.00 55.36 56.60 1ujd s GLN 73 Cb -0.12 -3.69 0.02 0.00 1.10 0.00 0.00 33.01 30.32 1ujd s GLN 73 CO 0.01 -0.73 0.77 0.08 -0.55 0.00 0.00 175.29 174.87 1ujd s VAL 74 N 3.40 4.70 0.01 1.34 1.01 0.16 -1.63 120.40 129.40 1ujd s VAL 74 Ca 0.46 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 1ujd s VAL 74 Cb -0.15 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.80 1ujd s VAL 74 CO 0.10 -0.59 1.29 -0.07 0.00 0.00 0.00 175.10 175.83 1ujd h LEU 75 N 9.94 -0.32 -7.89 3.92 3.38 0.13 -3.37 115.31 121.10 1ujd h LEU 75 Ca -0.25 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1ujd h LEU 75 Cb 1.09 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 1ujd h LEU 75 CO 0.93 0.03 -0.44 -1.61 0.09 0.00 0.00 178.44 177.44 1ujd s GLU 76 N -4.79 0.77 -0.06 1.13 8.01 0.17 -3.60 118.70 120.33 1ujd s GLU 76 Ca -0.14 -0.97 -0.00 0.00 0.01 0.00 0.00 54.97 53.86 1ujd s GLU 76 Cb 0.02 0.31 0.03 0.00 -4.31 0.00 0.00 34.13 30.18 1ujd s GLU 76 CO 0.57 -0.22 -0.02 -0.46 0.01 0.00 0.00 175.26 175.13 1ujd s TRP 77 N -3.70 0.75 -1.48 1.61 -0.11 0.36 0.12 118.94 116.49 1ujd s TRP 77 Ca 0.04 -0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.14 1ujd s TRP 77 Cb 0.05 -0.77 0.00 0.00 -1.50 0.00 0.00 33.47 31.24 1ujd s TRP 77 CO -0.10 -0.29 0.00 0.09 -4.62 0.00 0.00 176.95 172.03 1ujd n ASN 78 N 4.70 -5.05 0.00 5.86 3.02 0.43 -1.13 115.26 123.10 1ujd n ASN 78 Ca -0.14 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1ujd n ASN 78 Cb 0.50 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 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 -0.92 2.09 3.69 7.41 0.00 -1.26 -4.98 105.19 111.23 1ujd n GLY 79 Ca -0.20 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.38 3.07 0.48 -0.61 1.09 -0.28 -4.93 121.20 119.63 1ujd s ILE 80 Ca 0.00 0.56 -0.21 0.00 -1.10 0.00 0.00 60.65 59.91 1ujd s ILE 80 Cb 0.00 -3.36 -0.09 0.00 -1.06 0.00 0.00 42.46 37.95 1ujd s ILE 80 CO 0.00 0.01 1.04 -2.16 -0.10 0.00 0.00 174.94 173.73 1ujd s PRO 81 N 2.37 3.84 -0.01 2.79 0.04 -1.26 -0.49 135.00 142.29 1ujd s PRO 81 Ca 0.72 1.38 0.11 0.00 0.04 0.00 0.00 61.00 63.25 1ujd s PRO 81 Cb -0.39 -2.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.84 1ujd s PRO 81 CO 0.31 -0.40 0.28 1.28 0.04 0.00 0.00 177.00 178.52 1ujd n LEU 82 N -0.85 0.09 -4.75 -3.56 4.77 -1.24 -4.88 117.00 106.57 1ujd n LEU 82 Ca 0.09 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 1ujd n LEU 82 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1ujd n LEU 82 CO 0.40 0.02 1.21 -0.89 -1.33 0.00 0.00 177.39 176.81 1ujd s THR 83 N -2.63 2.18 -0.57 -5.08 2.01 -1.26 -2.51 115.64 107.78 1ujd s THR 83 Ca -0.03 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1ujd s THR 83 Cb 0.07 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1ujd s THR 83 CO 0.45 0.03 0.49 -1.20 -0.69 0.00 0.00 174.62 173.70 1ujd n SER 84 N 2.12 -3.47 0.00 3.53 7.64 -1.21 -5.00 113.62 117.23 1ujd n SER 84 Ca 0.07 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1ujd n SER 84 Cb 0.38 -2.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.11 1ujd n SER 84 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ujd n LYS 85 N -2.43 1.60 -4.05 1.43 4.76 -1.05 -5.10 118.16 113.32 1ujd n LYS 85 Ca -0.03 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 1ujd n LYS 85 Cb 0.54 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.62 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 0.32 0.36 0.16 -0.18 -4.23 -1.26 -3.96 115.64 106.85 1ujd s THR 86 Ca 0.00 -1.19 -0.26 0.00 -1.18 0.00 0.00 61.69 59.06 1ujd s THR 86 Cb 0.00 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 1ujd s THR 86 CO 0.00 -0.55 1.42 0.00 -0.54 0.00 0.00 174.62 174.95 1ujd n TYR 87 N 1.20 -0.31 0.09 3.99 4.19 -1.22 0.35 117.16 125.45 1ujd n TYR 87 Ca -0.21 1.15 -0.07 0.00 3.31 0.00 0.00 57.90 62.08 1ujd n TYR 87 Cb 0.56 -0.63 -0.04 0.00 0.49 0.00 0.00 39.34 39.72 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 -0.34 -0.99 2.98 5.08 -1.97 0.27 114.58 119.61 1ujd h GLU 88 Ca 0.18 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.67 1ujd h GLU 88 Cb 0.41 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1ujd h GLU 88 CO -0.87 -0.23 -0.56 0.93 -1.00 0.00 0.00 179.01 177.28 1ujd h GLU 89 N -0.36 -0.01 0.02 2.33 5.08 -1.66 0.17 114.58 120.16 1ujd h GLU 89 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ujd h GLU 89 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1ujd h GLU 89 CO -0.05 -0.00 -0.43 0.28 -1.00 0.00 0.00 179.01 177.80 1ujd h VAL 90 N -0.01 0.00 -0.97 3.13 2.07 0.08 -0.84 116.25 119.72 1ujd h VAL 90 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1ujd h VAL 90 Cb 0.44 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.09 1ujd h VAL 90 CO -0.94 0.00 -0.53 1.67 0.02 0.00 0.00 177.57 177.79 1ujd n GLN 91 N -4.89 -0.39 -0.23 1.57 7.27 0.94 0.91 117.38 122.57 1ujd n GLN 91 Ca -0.06 1.47 0.03 0.00 0.07 0.00 0.00 57.00 58.51 1ujd n GLN 91 Cb 0.32 -2.17 0.13 0.00 2.41 0.00 0.00 30.24 30.94 1ujd n GLN 91 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ujd h SER 92 N 0.00 -0.35 -0.95 1.69 0.87 -0.13 2.73 113.55 117.41 1ujd h SER 92 Ca 0.19 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1ujd h SER 92 Cb 0.44 0.32 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 1ujd h SER 92 CO -0.92 -0.16 0.61 0.40 -0.53 0.00 0.00 176.83 176.23 1ujd h ILE 93 N 0.10 1.04 0.08 2.23 2.04 0.20 -3.06 117.51 120.13 1ujd h ILE 93 Ca 0.37 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1ujd h ILE 93 Cb 0.62 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1ujd h ILE 93 CO -0.62 0.19 -0.04 0.40 0.00 0.00 0.00 178.15 178.09 1ujd h ILE 94 N 1.04 0.00 -0.04 -0.67 2.04 0.31 -3.38 117.51 116.82 1ujd h ILE 94 Ca 0.42 -0.74 -0.59 0.00 1.00 0.00 0.00 64.86 64.95 1ujd h ILE 94 Cb 0.26 0.00 0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1ujd h ILE 94 CO -0.17 0.00 1.85 -1.20 0.00 0.00 0.00 178.15 178.63 1ujd n SER 95 N -4.33 2.07 -2.65 1.72 7.64 0.85 -4.10 113.62 114.82 1ujd n SER 95 Ca -0.01 -2.62 -0.04 0.00 1.01 0.00 0.00 58.87 57.20 1ujd n SER 95 Cb 0.04 -1.00 0.08 0.00 -1.01 0.00 0.00 64.21 62.32 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 7.44 0.04 -3.15 1.43 -0.06 -1.23 -4.71 117.38 117.13 1ujd n GLN 96 Ca 0.48 -0.56 0.05 0.00 -2.00 0.00 0.00 57.00 54.97 1ujd n GLN 96 Cb 0.42 -0.05 -0.01 0.00 -4.06 0.00 0.00 30.24 26.53 1ujd n GLN 96 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1ujd s GLN 97 N 0.07 0.30 -1.12 3.69 2.00 -1.26 -5.02 119.66 118.32 1ujd s GLN 97 Ca 0.25 0.51 -0.16 0.00 -2.00 0.00 0.00 55.36 53.97 1ujd s GLN 97 Cb 0.20 0.28 0.15 0.00 0.80 0.00 0.00 33.01 34.45 1ujd s GLN 97 CO -0.06 -0.33 1.34 -1.12 -0.50 0.00 0.00 175.29 174.62 1ujd s SER 98 N 2.93 6.91 0.00 6.67 0.01 -1.26 -4.86 113.70 124.10 1ujd s SER 98 Ca 0.06 -2.65 0.00 0.00 1.31 0.00 0.00 55.95 54.67 1ujd s SER 98 Cb -0.11 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1ujd s SER 98 CO -0.14 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1ujd n GLY 99 N 4.63 0.90 2.92 3.44 0.00 -1.26 -5.10 105.19 110.73 1ujd n GLY 99 Ca 0.33 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ujd n GLU 100 N -1.26 0.00 -3.98 1.61 0.00 -1.26 -4.75 120.64 111.00 1ujd n GLU 100 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1ujd n GLU 100 Cb 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.90 0.11 -0.05 -1.84 0.00 0.64 -4.92 121.76 113.78 1ujd s ALA 101 Ca 0.43 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1ujd s ALA 101 Cb -0.26 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1ujd s ALA 101 CO 0.74 -0.60 -0.18 -1.21 0.00 0.00 0.00 175.76 174.51 1ujd s GLU 102 N -3.97 2.54 0.04 0.00 2.02 -1.26 -0.15 118.70 117.93 1ujd s GLU 102 Ca 0.17 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.44 1ujd s GLU 102 Cb 0.04 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1ujd s GLU 102 CO -0.01 0.52 -0.17 -1.50 0.02 0.00 0.00 175.26 174.12 1ujd s ILE 103 N -0.47 1.33 -0.32 -1.63 2.07 -1.17 0.16 121.20 121.17 1ujd s ILE 103 Ca 0.06 -1.08 0.02 0.00 -1.41 0.00 0.00 60.65 58.24 1ujd s ILE 103 Cb -0.12 -1.18 0.10 0.00 0.13 0.00 0.00 42.46 41.39 1ujd s ILE 103 CO 0.01 0.08 0.06 0.00 -1.91 0.00 0.00 174.94 173.18 1ujd s VAL 105 N 1.24 2.96 0.16 0.00 0.11 -1.24 0.16 120.40 123.80 1ujd s VAL 105 Ca 0.08 -1.95 -0.11 0.00 -2.93 0.00 0.00 61.98 57.08 1ujd s VAL 105 Cb -0.18 -2.80 -0.07 0.00 -1.53 0.00 0.00 36.38 31.80 1ujd s VAL 105 CO -0.14 -0.27 0.51 -0.60 -3.33 0.00 0.00 175.10 171.26 1ujd s ARG 106 N -3.71 3.85 0.00 1.54 3.52 -0.65 -1.26 118.95 122.25 1ujd s ARG 106 Ca 0.34 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 1ujd s ARG 106 Cb -0.03 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1ujd s ARG 106 CO 0.20 0.43 0.16 1.28 -0.81 0.00 0.00 175.30 176.56 1ujd n LEU 107 N 0.42 1.82 -4.56 -0.88 4.77 0.85 -4.50 117.00 114.93 1ujd n LEU 107 Ca -0.03 0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 1ujd n LEU 107 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1ujd n LEU 107 CO 0.44 0.00 1.48 -0.62 -1.33 0.00 0.00 177.39 177.35 1ujd s ASP 108 N -1.35 5.16 -0.30 -1.43 -1.08 -1.25 -4.81 116.67 111.61 1ujd s ASP 108 Ca 0.00 -0.16 -0.22 0.00 -0.52 0.00 0.00 52.55 51.65 1ujd s ASP 108 Cb 0.00 -2.54 0.19 0.00 -1.46 0.00 0.00 42.92 39.11 1ujd s ASP 108 CO 0.00 -2.61 1.35 -0.22 0.52 0.00 0.00 175.17 174.22 1ujd s LEU 109 N 9.77 -0.09 -0.16 -1.34 1.98 -1.26 -5.03 118.68 122.55 1ujd s LEU 109 Ca 0.70 0.16 -0.06 0.00 -2.89 0.00 0.00 54.13 52.04 1ujd s LEU 109 Cb -0.10 1.16 0.07 0.00 0.66 0.00 0.00 46.19 47.99 1ujd s LEU 109 CO 0.10 -0.03 0.34 0.54 -1.89 0.00 0.00 176.35 175.41 1ujd s ASN 110 N 0.37 -0.04 -0.18 3.68 4.22 -1.26 -4.66 114.94 117.07 1ujd s ASN 110 Ca 0.02 0.79 -0.15 0.00 -2.14 0.00 0.00 52.86 51.39 1ujd s ASN 110 Cb -0.04 0.97 -0.09 0.00 1.28 0.00 0.00 41.25 43.37 1ujd s ASN 110 CO -0.13 -0.23 -0.14 0.23 -2.04 0.00 0.00 177.10 174.79 1ujd n MET 111 N 5.18 0.51 -2.66 3.55 2.81 0.55 -4.92 117.12 122.15 1ujd n MET 111 Ca -0.10 0.44 -0.01 0.00 -1.81 0.00 0.00 57.70 56.22 1ujd n MET 111 Cb 0.50 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -4.49 -7.67 -4.90 7.83 2.88 -1.26 -5.03 113.62 100.98 1ujd n SER 112 Ca -0.21 1.23 -0.23 0.00 -1.33 0.00 0.00 58.87 58.33 1ujd n SER 112 Cb 0.50 -5.10 -0.03 0.00 -0.75 0.00 0.00 64.21 58.82 1ujd n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujd s GLY 113 N -1.68 1.47 -1.13 0.46 0.00 -1.26 -5.00 107.32 100.18 1ujd s GLY 113 Ca 0.03 -1.23 -0.14 0.00 0.00 0.00 0.00 44.72 43.39 1ujd s GLY 113 CO 0.74 -1.24 2.21 -1.55 0.00 0.00 0.00 173.10 173.26 1ujd n PRO 114 N -0.95 2.36 -3.43 2.90 -0.04 -1.26 -4.88 135.00 129.70 1ujd n PRO 114 Ca -0.08 -2.04 -0.41 0.00 -0.04 0.00 0.00 63.50 60.93 1ujd n PRO 114 Cb 0.56 -2.91 -0.10 0.00 -0.04 0.00 0.00 33.50 31.01 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 3.70 6.15 -0.13 3.54 0.15 -1.26 -4.95 113.70 120.90 1ujd s SER 115 Ca 0.52 -0.26 -0.08 0.00 0.70 0.00 0.00 55.95 56.84 1ujd s SER 115 Cb 0.14 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1ujd s SER 115 CO -0.00 -0.31 -0.15 0.28 1.20 0.00 0.00 173.24 174.26 1ujd h SER 116 N 8.46 0.00 -0.01 5.45 0.02 -1.99 -3.52 113.55 121.96 1ujd h SER 116 Ca -0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1ujd h SER 116 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ujd h SER 116 CO 0.68 0.72 0.00 0.61 -1.14 0.00 0.00 176.83 177.69