#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 -0.24 1.61 7.64 -1.26 -4.43 113.62 116.93 1ujd n SER 2 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1ujd n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1ujd n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ujd h SER 3 N 0.00 -1.91 -3.69 6.43 0.02 -2.09 -3.34 113.55 108.97 1ujd h SER 3 Ca 0.00 0.27 -0.69 0.00 -0.84 0.00 0.00 61.79 60.54 1ujd h SER 3 Cb 0.00 0.82 -0.30 0.00 0.14 0.00 0.00 62.40 63.06 1ujd h SER 3 CO 0.00 -0.34 -0.65 -0.83 -1.14 0.00 0.00 176.83 173.87 1ujd s GLY 4 N -2.49 1.78 0.27 -3.77 0.00 -1.26 -5.07 107.32 96.78 1ujd s GLY 4 Ca -0.14 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 1ujd s GLY 4 CO 0.62 0.71 1.17 1.44 0.00 0.00 0.00 173.10 177.04 1ujd n SER 5 N 4.74 1.87 -4.26 1.64 7.64 -1.25 -3.28 113.62 120.71 1ujd n SER 5 Ca -0.13 1.17 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 1ujd n SER 5 Cb 0.45 -1.34 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 1ujd n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujd s SER 6 N -0.25 5.97 0.29 6.43 0.01 -1.26 -4.92 113.70 119.97 1ujd s SER 6 Ca 0.62 -1.90 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1ujd s SER 6 Cb -0.69 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1ujd s SER 6 CO 0.57 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1ujd n GLY 7 N 5.01 -3.96 3.64 3.44 0.00 -1.26 -5.08 105.19 106.98 1ujd n GLY 7 Ca -0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 1ujd n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ujd s HIS 8 N -2.72 -0.74 0.62 1.61 2.46 -1.26 -5.15 115.29 110.11 1ujd s HIS 8 Ca 0.00 1.52 -0.12 0.00 0.47 0.00 0.00 55.06 56.94 1ujd s HIS 8 Cb 0.00 0.44 -0.04 0.00 -0.13 0.00 0.00 32.58 32.86 1ujd s HIS 8 CO 0.00 -0.37 1.03 0.71 -2.47 0.00 0.00 174.74 173.65 1ujd s TYR 9 N 1.27 3.51 0.20 3.88 2.02 -1.26 -4.96 117.35 122.01 1ujd s TYR 9 Ca -0.08 1.33 -0.10 0.00 -0.37 0.00 0.00 57.07 57.85 1ujd s TYR 9 Cb -0.04 -2.76 0.20 0.00 -0.40 0.00 0.00 41.96 38.95 1ujd s TYR 9 CO -0.15 -0.76 1.81 -0.84 -1.57 0.00 0.00 175.55 174.04 1ujd h ILE 10 N -0.26 1.00 -4.36 2.71 -0.00 -2.04 -3.43 117.51 111.14 1ujd h ILE 10 Ca -0.44 -0.24 -0.50 0.00 -0.00 0.00 0.00 64.86 63.68 1ujd h ILE 10 Cb 1.19 0.26 0.08 0.00 -0.00 0.00 0.00 36.82 38.36 1ujd h ILE 10 CO 0.61 0.13 0.39 0.72 -0.00 0.00 0.00 178.15 179.99 1ujd s PHE 11 N -6.11 3.26 -0.22 0.16 -0.12 -1.26 -4.99 117.98 108.71 1ujd s PHE 11 Ca -0.13 1.28 -0.29 0.00 -0.05 0.00 0.00 56.93 57.74 1ujd s PHE 11 Cb 0.15 -2.90 -0.01 0.00 -0.63 0.00 0.00 43.02 39.64 1ujd s PHE 11 CO 0.76 -1.14 1.31 -1.25 -0.05 0.00 0.00 175.22 174.84 1ujd s PRO 12 N -5.15 4.08 0.19 1.99 0.04 -1.26 -5.00 135.00 129.88 1ujd s PRO 12 Ca 0.58 1.51 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1ujd s PRO 12 Cb -0.13 -3.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1ujd s PRO 12 CO 0.54 -0.90 -0.04 -3.38 0.04 0.00 0.00 177.00 173.26 1ujd s HIS 13 N 3.95 1.36 -0.15 0.56 -3.43 -1.26 -0.69 115.29 115.63 1ujd s HIS 13 Ca 0.57 -0.89 -0.01 0.00 -0.80 0.00 0.00 55.06 53.93 1ujd s HIS 13 Cb -0.20 -0.76 0.04 0.00 -1.43 0.00 0.00 32.58 30.23 1ujd s HIS 13 CO 0.19 -0.04 -0.04 0.00 -2.00 0.00 0.00 174.74 172.85 1ujd s ALA 14 N -3.44 1.34 -0.88 -1.38 0.00 -1.03 -4.81 121.76 111.56 1ujd s ALA 14 Ca 0.23 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1ujd s ALA 14 Cb 0.05 -1.06 0.22 0.00 0.00 0.00 0.00 23.12 22.33 1ujd s ALA 14 CO 0.04 -0.73 0.80 1.03 0.00 0.00 0.00 175.76 176.90 1ujd s ARG 15 N 1.70 3.51 -0.12 0.00 0.52 -1.26 -3.15 118.95 120.14 1ujd s ARG 15 Ca 0.02 -2.82 0.01 0.00 -0.52 0.00 0.00 55.73 52.42 1ujd s ARG 15 Cb -0.15 -4.25 0.02 0.00 0.52 0.00 0.00 34.95 31.09 1ujd s ARG 15 CO -0.08 -1.25 -0.16 0.42 0.02 0.00 0.00 175.30 174.25 1ujd s ILE 16 N -0.53 1.61 0.08 1.52 1.09 -1.22 -5.00 121.20 118.75 1ujd s ILE 16 Ca 0.23 -0.69 -0.28 0.00 -1.10 0.00 0.00 60.65 58.81 1ujd s ILE 16 Cb -0.11 -1.47 -0.06 0.00 -1.06 0.00 0.00 42.46 39.76 1ujd s ILE 16 CO -0.08 0.46 0.88 -1.59 -0.10 0.00 0.00 174.94 174.51 1ujd s LYS 17 N 1.09 4.61 -0.19 2.79 0.00 -1.26 -3.66 119.74 123.12 1ujd s LYS 17 Ca -0.04 1.28 -0.29 0.00 0.00 0.00 0.00 55.97 56.93 1ujd s LYS 17 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 37.83 34.30 1ujd s LYS 17 CO -0.04 0.25 1.37 0.42 0.00 0.00 0.00 175.35 177.35 1ujd s ILE 18 N -0.04 4.08 -0.23 3.79 1.01 0.34 -4.82 121.20 125.33 1ujd s ILE 18 Ca 0.43 1.27 -0.10 0.00 0.00 0.00 0.00 60.65 62.25 1ujd s ILE 18 Cb -0.22 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1ujd s ILE 18 CO 0.27 -0.24 0.14 0.42 0.00 0.00 0.00 174.94 175.53 1ujd s THR 19 N 4.03 5.26 -0.10 2.92 -4.23 -1.26 -1.33 115.64 120.92 1ujd s THR 19 Ca 0.60 0.14 -0.17 0.00 -1.18 0.00 0.00 61.69 61.08 1ujd s THR 19 Cb -0.22 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1ujd s THR 19 CO 0.21 0.37 0.45 -0.60 -0.54 0.00 0.00 174.62 174.51 1ujd s ARG 20 N 0.90 4.28 0.67 3.99 3.00 -1.26 -4.92 118.95 125.60 1ujd s ARG 20 Ca 0.07 0.42 -0.11 0.00 -1.00 0.00 0.00 55.73 55.10 1ujd s ARG 20 Cb -0.13 -3.40 -0.01 0.00 0.00 0.00 0.00 34.95 31.41 1ujd s ARG 20 CO 0.03 0.25 1.05 -0.51 0.00 0.00 0.00 175.30 176.12 1ujd s ASP 21 N 0.34 5.60 0.38 -2.12 1.11 -1.26 -4.88 116.67 115.84 1ujd s ASP 21 Ca 0.25 1.59 0.06 0.00 0.18 0.00 0.00 52.55 54.63 1ujd s ASP 21 Cb -0.15 -2.49 -0.07 0.00 1.07 0.00 0.00 42.92 41.27 1ujd s ASP 21 CO 0.10 -1.30 0.02 -0.94 1.18 0.00 0.00 175.17 174.23 1ujd s SER 22 N -3.80 3.46 -0.15 0.27 1.04 -1.26 -4.87 113.70 108.38 1ujd s SER 22 Ca 0.58 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 1ujd s SER 22 Cb -0.13 -0.31 0.04 0.00 0.10 0.00 0.00 66.02 65.72 1ujd s SER 22 CO 0.53 -0.48 0.21 0.29 0.98 0.00 0.00 173.24 174.78 1ujd n LYS 23 N -0.88 -4.62 -2.75 4.02 4.01 -1.26 -4.73 118.16 111.94 1ujd n LYS 23 Ca -0.04 3.46 -0.04 0.00 -0.51 0.00 0.00 58.31 61.18 1ujd n LYS 23 Cb 0.67 -4.91 -0.03 0.00 -0.51 0.00 0.00 35.03 30.25 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ujd n ASP 24 N 1.78 -2.91 -2.67 4.39 9.92 -1.26 -5.02 116.55 120.78 1ujd n ASP 24 Ca -0.36 1.23 -0.05 0.00 -0.53 0.00 0.00 54.79 55.08 1ujd n ASP 24 Cb 0.56 -3.99 0.08 0.00 -0.64 0.00 0.00 41.12 37.12 1ujd n ASP 24 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1ujd n HIS 25 N 2.01 -0.69 -4.62 1.24 -0.00 -1.26 -5.09 115.22 106.81 1ujd n HIS 25 Ca -0.28 -0.76 -0.33 0.00 0.46 0.00 0.00 57.72 56.81 1ujd n HIS 25 Cb 0.43 1.12 -0.13 0.00 -0.12 0.00 0.00 29.99 31.29 1ujd n HIS 25 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1ujd s THR 26 N 0.14 3.38 0.03 3.57 2.01 -1.26 -4.96 115.64 118.55 1ujd s THR 26 Ca 0.26 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1ujd s THR 26 Cb 0.21 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1ujd s THR 26 CO -0.10 0.51 0.00 1.33 -0.69 0.00 0.00 174.62 175.68 1ujd n VAL 27 N 3.54 0.16 -3.60 3.82 0.24 -1.26 -5.14 118.33 116.09 1ujd n VAL 27 Ca -0.18 0.05 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1ujd n VAL 27 Cb 0.53 -1.24 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 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 -5.13 -0.17 0.88 -1.34 0.15 -1.26 -5.11 113.70 101.72 1ujd s SER 28 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1ujd s SER 28 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1ujd s SER 28 CO 0.00 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1ujd n GLY 29 N -0.28 3.02 1.24 9.45 0.00 -1.26 -4.56 105.19 112.80 1ujd n GLY 29 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 5.26 0.00 -3.39 1.61 5.15 -1.26 -5.13 115.26 117.50 1ujd n ASN 30 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ujd n ASN 30 Cb 0.00 0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 1ujd n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ujd n GLY 31 N -1.48 -3.02 3.78 8.20 0.00 -1.26 -4.93 105.19 106.48 1ujd n GLY 31 Ca 0.00 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 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 4.48 -0.73 0.99 1.43 -1.26 -4.95 118.68 118.63 1ujd s LEU 32 Ca 0.00 1.25 -0.23 0.00 -1.03 0.00 0.00 54.13 54.12 1ujd s LEU 32 Cb 0.00 -2.95 -0.17 0.00 0.03 0.00 0.00 46.19 43.10 1ujd s LEU 32 CO 0.00 0.18 1.91 0.61 0.23 0.00 0.00 176.35 179.27 1ujd n GLY 33 N 2.09 2.42 3.06 -3.19 0.00 -1.26 -4.77 105.19 103.53 1ujd n GLY 33 Ca -0.08 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 5.26 -0.04 -0.14 -0.61 2.07 -1.26 -2.39 121.20 124.10 1ujd s ILE 34 Ca 0.58 0.13 -0.02 0.00 -1.41 0.00 0.00 60.65 59.93 1ujd s ILE 34 Cb 0.14 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 1ujd s ILE 34 CO 0.13 0.05 -0.07 -0.13 -1.91 0.00 0.00 174.94 173.02 1ujd s ARG 35 N 1.12 3.50 -0.01 3.50 1.81 -1.25 -4.98 118.95 122.62 1ujd s ARG 35 Ca -0.08 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 1ujd s ARG 35 Cb -0.09 -2.80 0.01 0.00 -0.45 0.00 0.00 34.95 31.62 1ujd s ARG 35 CO -0.07 0.28 0.00 0.42 -0.68 0.00 0.00 175.30 175.25 1ujd s ILE 36 N 0.23 0.05 -0.18 1.52 1.01 -1.26 -0.28 121.20 122.29 1ujd s ILE 36 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1ujd s ILE 36 Cb -0.14 -0.12 0.02 0.00 0.01 0.00 0.00 42.46 42.23 1ujd s ILE 36 CO 0.04 0.07 -0.18 -0.69 0.00 0.00 0.00 174.94 174.17 1ujd s VAL 37 N 0.54 2.24 0.80 2.92 1.01 0.35 -4.81 120.40 123.46 1ujd s VAL 37 Ca -0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1ujd s VAL 37 Cb -0.07 -1.95 0.17 0.00 0.00 0.00 0.00 36.38 34.53 1ujd s VAL 37 CO -0.01 0.52 1.09 0.61 0.00 0.00 0.00 175.10 177.32 1ujd n GLY 38 N 4.60 -0.06 3.36 4.51 0.00 -1.26 -2.46 105.19 113.88 1ujd n GLY 38 Ca -0.21 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.90 -0.34 3.03 -0.02 0.00 -0.19 -3.65 105.19 101.12 1ujd n GLY 39 Ca 0.16 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.36 1.77 0.35 1.61 2.20 -0.37 -4.84 119.74 115.11 1ujd s LYS 40 Ca 0.03 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 54.91 1ujd s LYS 40 Cb -0.01 -1.45 -0.12 0.00 -1.51 0.00 0.00 37.83 34.74 1ujd s LYS 40 CO 0.71 0.04 1.43 -1.91 -0.36 0.00 0.00 175.35 175.25 1ujd n GLU 41 N 3.79 2.46 -3.40 4.03 2.13 -1.26 0.15 120.64 128.54 1ujd n GLU 41 Ca -0.23 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.08 1ujd n GLU 41 Cb 0.52 -2.55 -0.06 0.00 0.27 0.00 0.00 31.44 29.62 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 -0.96 5.13 -1.09 6.31 1.01 0.52 -4.79 121.20 127.32 1ujd s ILE 42 Ca 0.56 0.88 -0.18 0.00 0.00 0.00 0.00 60.65 61.90 1ujd s ILE 42 Cb -0.52 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 1ujd s ILE 42 CO 0.61 0.43 2.08 -0.81 0.00 0.00 0.00 174.94 177.25 1ujd n PRO 43 N 2.94 2.14 0.00 2.79 -0.04 -1.26 -3.82 135.00 137.75 1ujd n PRO 43 Ca -0.10 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1ujd n PRO 43 Cb 0.52 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1ujd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujd n GLY 44 N 4.31 -1.39 3.21 0.55 0.00 -1.26 -5.01 105.19 105.60 1ujd n GLY 44 Ca 0.51 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.65 1ujd n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ujd n HIS 45 N 0.00 -3.03 -2.11 1.61 8.25 -1.25 -4.69 115.22 113.99 1ujd n HIS 45 Ca 0.00 0.42 -0.38 0.00 -0.26 0.00 0.00 57.72 57.51 1ujd n HIS 45 Cb 0.00 -1.66 -0.03 0.00 1.12 0.00 0.00 29.99 29.42 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 -0.99 5.39 -0.57 0.41 0.01 -1.26 -4.13 113.70 112.55 1ujd s SER 46 Ca 0.55 0.11 -0.19 0.00 1.31 0.00 0.00 55.95 57.74 1ujd s SER 46 Cb -0.47 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.25 1ujd s SER 46 CO 0.67 -2.33 0.58 0.61 0.41 0.00 0.00 173.24 173.17 1ujd n GLY 47 N 5.79 -0.48 2.93 3.44 0.00 -1.26 -4.97 105.19 110.64 1ujd n GLY 47 Ca 0.20 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.94 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 -3.42 0.18 0.09 1.61 2.56 -1.26 -5.06 118.70 113.39 1ujd s GLU 48 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 54.97 54.82 1ujd s GLU 48 Cb -0.02 0.05 -0.04 0.00 2.00 0.00 0.00 34.13 36.12 1ujd s GLU 48 CO 0.81 -0.02 0.22 0.96 -0.56 0.00 0.00 175.26 176.66 1ujd s ILE 49 N -0.81 5.30 0.00 -3.70 -4.36 -1.26 -0.35 121.20 116.01 1ujd s ILE 49 Ca -0.09 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 1ujd s ILE 49 Cb -0.06 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.03 1ujd s ILE 49 CO -0.01 0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1ujd n GLY 50 N 0.07 4.09 3.33 6.27 0.00 0.39 0.39 105.19 119.72 1ujd n GLY 50 Ca -0.06 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.44 2.02 0.15 4.61 0.00 -0.66 -1.02 121.76 125.41 1ujd s ALA 51 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.35 1ujd s ALA 51 Cb 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1ujd s ALA 51 CO 0.00 0.31 0.47 1.52 0.00 0.00 0.00 175.76 178.05 1ujd s TYR 52 N -1.70 -0.26 -0.39 0.00 1.13 -1.03 -0.87 117.35 114.24 1ujd s TYR 52 Ca 0.13 -0.03 -0.29 0.00 -1.41 0.00 0.00 57.07 55.47 1ujd s TYR 52 Cb -0.07 0.35 0.01 0.00 -1.10 0.00 0.00 41.96 41.15 1ujd s TYR 52 CO 0.06 -0.77 1.27 0.42 -2.51 0.00 0.00 175.55 174.02 1ujd s ILE 53 N -3.80 4.12 0.11 -3.49 1.01 -1.22 -0.49 121.20 117.43 1ujd s ILE 53 Ca 0.04 1.20 -0.26 0.00 0.00 0.00 0.00 60.65 61.63 1ujd s ILE 53 Cb 0.01 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 1ujd s ILE 53 CO -0.11 -0.71 1.65 0.00 0.00 0.00 0.00 174.94 175.78 1ujd h ALA 54 N 9.59 -0.36 -1.19 9.38 0.00 -0.96 0.17 119.26 135.89 1ujd h ALA 54 Ca -0.25 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 54.78 1ujd h ALA 54 Cb 1.09 0.35 -0.26 0.00 0.00 0.00 0.00 17.79 18.96 1ujd h ALA 54 CO 1.08 -0.75 0.36 0.21 0.00 0.00 0.00 179.25 180.15 1ujd s LYS 55 N -6.09 0.29 -0.24 0.00 2.47 -1.25 -4.48 119.74 110.45 1ujd s LYS 55 Ca -0.15 0.60 -0.28 0.00 -1.56 0.00 0.00 55.97 54.58 1ujd s LYS 55 Cb 0.08 0.22 -0.05 0.00 -1.46 0.00 0.00 37.83 36.62 1ujd s LYS 55 CO 0.65 -0.08 2.23 0.42 0.16 0.00 0.00 175.35 178.73 1ujd s ILE 56 N 1.82 3.02 0.67 5.43 1.01 -1.26 -3.93 121.20 127.95 1ujd s ILE 56 Ca -0.06 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 1ujd s ILE 56 Cb -0.04 -3.02 -0.15 0.00 0.01 0.00 0.00 42.46 39.26 1ujd s ILE 56 CO -0.16 -0.01 -0.35 0.18 0.00 0.00 0.00 174.94 174.60 1ujd n LEU 57 N 11.97 -4.43 -4.56 2.97 7.99 -1.25 -4.73 117.00 124.95 1ujd n LEU 57 Ca 0.30 0.49 -0.40 0.00 -0.01 0.00 0.00 56.01 56.39 1ujd n LEU 57 Cb 0.46 -0.81 -0.03 0.00 -0.11 0.00 0.00 43.42 42.93 1ujd n LEU 57 CO 0.66 -5.16 1.35 -2.16 -1.51 0.00 0.00 177.39 170.57 1ujd s PRO 58 N -1.33 3.05 -1.14 3.23 0.04 -1.26 -3.17 135.00 134.42 1ujd s PRO 58 Ca 0.51 0.34 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 1ujd s PRO 58 Cb -0.39 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1ujd s PRO 58 CO 0.71 -2.25 0.39 0.41 0.04 0.00 0.00 177.00 176.30 1ujd n GLY 59 N 5.44 -0.19 0.00 0.56 0.00 -1.26 -5.01 105.19 104.73 1ujd n GLY 59 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.28 1.45 0.11 -0.02 0.00 -1.19 -4.82 105.19 99.44 1ujd n GLY 60 Ca -0.09 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 1ujd n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ujd h SER 61 N 0.00 0.44 -0.71 1.61 4.64 -1.81 -1.83 113.55 115.88 1ujd h SER 61 Ca 0.00 -0.94 0.04 0.00 -0.47 0.00 0.00 61.79 60.42 1ujd h SER 61 Cb 0.00 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 1ujd h SER 61 CO 0.00 1.42 0.44 0.00 -0.87 0.00 0.00 176.83 177.82 1ujd h ALA 62 N 0.05 0.94 0.00 5.18 0.00 -1.81 -0.86 119.26 122.76 1ujd h ALA 62 Ca -0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1ujd h ALA 62 Cb 1.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1ujd h ALA 62 CO 0.13 0.20 -0.59 1.49 0.00 0.00 0.00 179.25 180.48 1ujd h GLU 63 N 0.85 0.00 0.34 0.00 4.81 -1.77 -3.22 114.58 115.58 1ujd h GLU 63 Ca 0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1ujd h GLU 63 Cb 0.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1ujd h GLU 63 CO -0.12 0.59 -0.45 1.96 -0.73 0.00 0.00 179.01 180.26 1ujd h GLN 64 N 0.00 -0.78 -0.91 1.92 1.08 -0.26 -1.03 115.11 115.12 1ujd h GLN 64 Ca -0.01 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.48 1ujd h GLN 64 Cb 1.09 0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 28.64 1ujd h GLN 64 CO 0.08 -0.52 0.62 1.79 -0.95 0.00 0.00 178.83 179.84 1ujd h THR 65 N -0.81 0.61 -2.91 -0.54 1.35 -1.52 -3.44 112.91 105.65 1ujd h THR 65 Ca -0.04 -0.08 -0.30 0.00 -0.55 0.00 0.00 66.41 65.43 1ujd h THR 65 Cb 0.73 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.46 1ujd h THR 65 CO -0.12 0.04 -0.36 0.61 -0.25 0.00 0.00 175.52 175.45 1ujd n GLY 66 N -1.59 0.05 0.00 5.82 0.00 -0.39 -4.75 105.19 104.33 1ujd n GLY 66 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.62 2.76 -4.44 1.61 4.76 -1.26 -5.03 118.16 113.93 1ujd n LYS 67 Ca -0.17 -0.26 -0.22 0.00 -2.87 0.00 0.00 58.31 54.79 1ujd n LYS 67 Cb 0.60 -0.76 -0.10 0.00 -1.84 0.00 0.00 35.03 32.93 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 -0.94 2.56 0.00 -0.35 0.05 -1.26 -5.05 118.68 113.70 1ujd s LEU 68 Ca 0.00 -1.12 0.08 0.00 0.05 0.00 0.00 54.13 53.13 1ujd s LEU 68 Cb 0.00 -0.79 -0.03 0.00 -2.05 0.00 0.00 46.19 43.32 1ujd s LEU 68 CO 0.00 -0.21 0.27 1.15 -0.55 0.00 0.00 176.35 177.01 1ujd n MET 69 N -0.58 0.41 -1.69 1.48 0.00 -1.26 -4.86 117.12 110.62 1ujd n MET 69 Ca -0.06 -3.30 -0.30 0.00 0.00 0.00 0.00 57.70 54.04 1ujd n MET 69 Cb 0.62 2.67 0.06 0.00 0.00 0.00 0.00 33.22 36.57 1ujd n MET 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1ujd s GLU 70 N -3.35 2.65 -1.93 3.17 8.01 -1.26 -3.56 118.70 122.42 1ujd s GLU 70 Ca 0.39 0.65 0.00 0.00 0.01 0.00 0.00 54.97 56.02 1ujd s GLU 70 Cb 0.02 -1.98 0.00 0.00 -4.31 0.00 0.00 34.13 27.86 1ujd s GLU 70 CO 0.27 -1.23 0.00 0.41 0.01 0.00 0.00 175.26 174.73 1ujd n GLY 71 N -2.43 1.49 3.50 -1.39 0.00 0.59 -4.80 105.19 102.15 1ujd n GLY 71 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.77 3.36 -0.47 1.61 -1.94 -1.23 0.18 119.30 117.04 1ujd s MET 72 Ca 0.00 -1.00 -0.42 0.00 -1.71 0.00 0.00 55.69 52.56 1ujd s MET 72 Cb 0.00 -4.65 -0.17 0.00 2.01 0.00 0.00 34.83 32.02 1ujd s MET 72 CO 0.00 -1.97 2.13 0.94 -0.01 0.00 0.00 175.02 176.11 1ujd n GLN 73 N 8.06 0.24 -2.66 2.03 7.27 -1.26 -3.42 117.38 127.64 1ujd n GLN 73 Ca 0.13 0.07 -0.43 0.00 0.07 0.00 0.00 57.00 56.84 1ujd n GLN 73 Cb 0.48 -1.71 -0.03 0.00 2.41 0.00 0.00 30.24 31.40 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 6.13 4.28 -0.03 1.69 1.01 -0.05 -3.05 120.40 130.39 1ujd s VAL 74 Ca 1.17 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 64.07 1ujd s VAL 74 Cb -1.36 -4.56 -0.13 0.00 0.00 0.00 0.00 36.38 30.33 1ujd s VAL 74 CO 0.63 -0.96 0.86 -0.07 0.00 0.00 0.00 175.10 175.56 1ujd h LEU 75 N 11.04 -0.34 -8.09 3.92 3.38 0.17 -3.39 115.31 122.00 1ujd h LEU 75 Ca -0.23 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.37 1ujd h LEU 75 Cb 1.06 0.09 -0.20 0.00 0.09 0.00 0.00 40.66 41.70 1ujd h LEU 75 CO 1.10 0.14 -0.71 -1.61 0.09 0.00 0.00 178.44 177.45 1ujd s GLU 76 N -3.65 0.44 -0.21 1.13 2.02 -0.98 -3.06 118.70 114.39 1ujd s GLU 76 Ca -0.11 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.07 1ujd s GLU 76 Cb 0.01 0.01 0.06 0.00 0.10 0.00 0.00 34.13 34.31 1ujd s GLU 76 CO 0.40 -0.03 0.02 -0.46 0.02 0.00 0.00 175.26 175.21 1ujd s TRP 77 N -1.94 1.35 -1.64 1.61 -0.11 0.56 0.30 118.94 119.07 1ujd s TRP 77 Ca -0.09 -1.09 -0.00 0.00 1.22 0.00 0.00 56.10 56.13 1ujd s TRP 77 Cb -0.06 -1.18 0.00 0.00 -1.50 0.00 0.00 33.47 30.73 1ujd s TRP 77 CO -0.02 -0.66 0.03 0.09 -4.62 0.00 0.00 176.95 171.77 1ujd n ASN 78 N 4.96 -5.56 0.00 5.86 3.02 0.31 -2.18 115.26 121.67 1ujd n ASN 78 Ca -0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1ujd n ASN 78 Cb 0.46 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 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 -1.04 2.64 3.70 7.41 0.00 -1.26 -4.96 105.19 111.67 1ujd n GLY 79 Ca -0.22 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.04 2.45 0.58 -0.61 1.09 -0.93 -4.90 121.20 118.83 1ujd s ILE 80 Ca 0.00 0.04 -0.16 0.00 -1.10 0.00 0.00 60.65 59.43 1ujd s ILE 80 Cb 0.00 -3.03 -0.05 0.00 -1.06 0.00 0.00 42.46 38.33 1ujd s ILE 80 CO 0.00 0.00 1.05 -2.16 -0.10 0.00 0.00 174.94 173.73 1ujd s PRO 81 N 2.49 3.43 -0.24 2.79 0.04 -1.26 -0.32 135.00 141.93 1ujd s PRO 81 Ca 0.80 1.19 0.11 0.00 0.04 0.00 0.00 61.00 63.13 1ujd s PRO 81 Cb -0.47 -2.05 0.44 0.00 0.04 0.00 0.00 34.50 32.47 1ujd s PRO 81 CO 0.36 -0.72 1.20 1.28 0.04 0.00 0.00 177.00 179.16 1ujd n LEU 82 N -1.90 3.60 -4.67 -3.56 4.77 -1.17 -4.86 117.00 109.21 1ujd n LEU 82 Ca 0.09 -4.15 -0.34 0.00 -0.03 0.00 0.00 56.01 51.57 1ujd n LEU 82 Cb 0.53 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1ujd n LEU 82 CO 0.47 1.67 -0.32 -0.89 -1.33 0.00 0.00 177.39 176.99 1ujd s THR 83 N -3.75 4.20 -1.24 -5.08 2.01 -1.26 -1.65 115.64 108.87 1ujd s THR 83 Ca 0.43 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1ujd s THR 83 Cb 0.39 -2.78 0.01 0.00 0.01 0.00 0.00 72.50 70.12 1ujd s THR 83 CO -0.02 0.56 1.04 -0.24 -0.69 0.00 0.00 174.62 175.27 1ujd n SER 84 N 2.00 -5.96 -1.71 3.53 2.88 0.16 -4.96 113.62 109.55 1ujd n SER 84 Ca -0.18 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1ujd n SER 84 Cb 0.53 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 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 -4.52 1.44 -4.37 -1.46 4.76 -1.26 -5.03 118.16 107.72 1ujd n LYS 85 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1ujd n LYS 85 Cb 0.56 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.64 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 -1.28 1.28 0.05 -0.18 -4.23 -1.26 -3.41 115.64 106.61 1ujd s THR 86 Ca 0.00 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 1ujd s THR 86 Cb 0.00 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1ujd s THR 86 CO 0.00 -0.30 1.18 0.22 -0.54 0.00 0.00 174.62 175.18 1ujd h TYR 87 N 2.38 -0.58 -0.04 3.99 5.03 -1.89 0.15 116.97 126.00 1ujd h TYR 87 Ca -0.39 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.96 1ujd h TYR 87 Cb 1.23 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.78 1ujd h TYR 87 CO 0.62 -0.15 -0.05 0.93 -1.32 0.00 0.00 178.16 178.19 1ujd h GLU 88 N -0.09 -0.03 0.00 1.82 5.08 -1.97 0.40 114.58 119.79 1ujd h GLU 88 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ujd h GLU 88 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ujd h GLU 88 CO -0.23 -0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.15 1ujd n GLU 89 N -2.97 0.00 -0.38 2.33 1.02 -1.05 -0.10 120.64 119.49 1ujd n GLU 89 Ca -0.00 0.80 -0.10 0.00 -0.02 0.00 0.00 57.16 57.84 1ujd n GLU 89 Cb 0.03 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.00 -0.57 2.62 2.07 -0.48 0.23 116.25 120.13 1ujd h VAL 90 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1ujd h VAL 90 Cb 0.00 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 1ujd h VAL 90 CO 0.00 0.00 -0.36 -0.61 0.02 0.00 0.00 177.57 176.62 1ujd h GLN 91 N -0.00 -0.03 -0.99 1.57 4.15 0.16 0.25 115.11 120.21 1ujd h GLN 91 Ca 0.14 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.73 1ujd h GLN 91 Cb 0.37 0.01 -0.16 0.00 0.21 0.00 0.00 27.48 27.91 1ujd h GLN 91 CO -0.85 -0.02 -0.37 0.43 -1.93 0.00 0.00 178.83 176.09 1ujd n SER 92 N -4.38 -0.61 -0.27 -0.69 7.64 0.85 0.28 113.62 116.44 1ujd n SER 92 Ca 0.01 1.73 0.06 0.00 1.01 0.00 0.00 58.87 61.68 1ujd n SER 92 Cb 0.17 -0.41 0.20 0.00 -1.01 0.00 0.00 64.21 63.16 1ujd n SER 92 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ujd h ILE 93 N 0.00 0.67 0.27 0.44 2.04 0.46 0.30 117.51 121.69 1ujd h ILE 93 Ca 0.36 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1ujd h ILE 93 Cb 0.61 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1ujd h ILE 93 CO -0.99 0.09 -0.13 0.40 0.00 0.00 0.00 178.15 177.52 1ujd h ILE 94 N 0.49 0.00 -0.91 -0.67 2.04 0.40 -3.27 117.51 115.59 1ujd h ILE 94 Ca 0.44 -0.71 0.31 0.00 1.00 0.00 0.00 64.86 65.89 1ujd h ILE 94 Cb 0.66 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.57 1ujd h ILE 94 CO -0.40 0.00 0.24 -0.24 0.00 0.00 0.00 178.15 177.75 1ujd n SER 95 N -4.94 0.10 -4.60 1.72 2.88 0.79 -3.71 113.62 105.86 1ujd n SER 95 Ca -0.04 1.52 -0.43 0.00 -1.33 0.00 0.00 58.87 58.59 1ujd n SER 95 Cb 0.14 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 62.94 1ujd n SER 95 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ujd s GLN 96 N -5.64 3.74 0.03 -1.46 0.74 0.10 -4.92 119.66 112.25 1ujd s GLN 96 Ca -0.10 0.59 -0.27 0.00 0.05 0.00 0.00 55.36 55.63 1ujd s GLN 96 Cb 0.29 -3.90 0.09 0.00 1.10 0.00 0.00 33.01 30.59 1ujd s GLN 96 CO 0.71 -1.34 1.23 1.14 -0.55 0.00 0.00 175.29 176.48 1ujd s GLN 97 N 4.36 0.58 -0.30 1.67 1.03 -1.24 -4.85 119.66 120.90 1ujd s GLN 97 Ca 0.47 -0.38 -0.16 0.00 0.04 0.00 0.00 55.36 55.34 1ujd s GLN 97 Cb -0.08 0.16 0.18 0.00 0.03 0.00 0.00 33.01 33.30 1ujd s GLN 97 CO 0.30 -0.27 1.09 -1.12 -2.54 0.00 0.00 175.29 172.75 1ujd s SER 98 N -3.77 -0.41 0.03 12.60 0.01 -1.26 -5.11 113.70 115.79 1ujd s SER 98 Ca 0.29 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1ujd s SER 98 Cb -0.01 1.45 0.00 0.00 0.21 0.00 0.00 66.02 67.66 1ujd s SER 98 CO 0.01 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1ujd n GLY 99 N 4.91 -4.59 6.15 3.44 0.00 -1.26 -4.91 105.19 108.93 1ujd n GLY 99 Ca -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 1.07 -0.08 -3.64 1.61 0.00 -1.26 -4.97 120.64 113.36 1ujd n GLU 100 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 57.16 57.18 1ujd n GLU 100 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 31.44 31.28 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 -1.23 -2.17 -0.05 -1.84 0.00 -0.44 -4.95 121.76 111.08 1ujd s ALA 101 Ca 0.00 1.76 -0.19 0.00 0.00 0.00 0.00 51.96 53.53 1ujd s ALA 101 Cb 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1ujd s ALA 101 CO 0.00 -0.16 0.54 -1.21 0.00 0.00 0.00 175.76 174.93 1ujd s GLU 102 N -0.38 4.30 -0.08 0.00 2.02 -1.26 0.13 118.70 123.43 1ujd s GLU 102 Ca 0.07 0.60 -0.00 0.00 0.02 0.00 0.00 54.97 55.67 1ujd s GLU 102 Cb -0.03 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1ujd s GLU 102 CO -0.12 0.29 -0.04 -1.50 0.02 0.00 0.00 175.26 173.91 1ujd s ILE 103 N 0.13 0.66 -0.37 -1.63 2.07 -1.24 0.12 121.20 120.94 1ujd s ILE 103 Ca 0.29 -0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.36 1ujd s ILE 103 Cb -0.17 -0.72 0.06 0.00 0.13 0.00 0.00 42.46 41.76 1ujd s ILE 103 CO 0.14 0.29 0.15 0.00 -1.91 0.00 0.00 174.94 173.61 1ujd s VAL 105 N 1.38 1.98 -0.22 0.00 -7.23 -1.19 0.18 120.40 115.29 1ujd s VAL 105 Ca 0.00 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1ujd s VAL 105 Cb -0.21 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1ujd s VAL 105 CO 0.02 0.00 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.12 1ujd s ARG 106 N -3.96 3.02 0.11 4.82 3.52 -1.17 -2.46 118.95 122.83 1ujd s ARG 106 Ca 0.34 -0.84 -0.32 0.00 -0.13 0.00 0.00 55.73 54.77 1ujd s ARG 106 Cb 0.03 -2.90 -0.12 0.00 -1.56 0.00 0.00 34.95 30.40 1ujd s ARG 106 CO 0.19 -0.30 1.58 -0.07 -0.81 0.00 0.00 175.30 175.89 1ujd h LEU 107 N 8.02 -1.28 0.00 -0.88 3.38 -1.22 -3.19 115.31 120.14 1ujd h LEU 107 Ca -0.38 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ujd h LEU 107 Cb 1.13 0.47 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1ujd h LEU 107 CO 0.60 -0.53 0.00 0.47 0.09 0.00 0.00 178.44 179.07 1ujd n ASP 108 N -5.49 0.00 -4.53 -0.43 8.00 -1.21 -4.59 116.55 108.31 1ujd n ASP 108 Ca -0.08 0.81 -0.54 0.00 0.71 0.00 0.00 54.79 55.69 1ujd n ASP 108 Cb 0.40 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 1ujd n ASP 108 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ujd n LEU 109 N -1.69 0.60 -3.29 0.64 0.00 -1.20 -4.93 117.00 107.12 1ujd n LEU 109 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 56.01 57.03 1ujd n LEU 109 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 43.42 42.31 1ujd n LEU 109 CO 0.00 -1.69 -0.08 0.54 0.00 0.00 0.00 177.39 176.16 1ujd s ASN 110 N -0.00 0.33 0.18 1.96 2.20 -1.26 -4.47 114.94 113.88 1ujd s ASN 110 Ca 0.82 -1.45 -0.33 0.00 -0.94 0.00 0.00 52.86 50.96 1ujd s ASN 110 Cb -1.06 0.96 -0.14 0.00 -2.00 0.00 0.00 41.25 39.01 1ujd s ASN 110 CO 0.53 -0.22 1.46 0.23 -2.94 0.00 0.00 177.10 176.17 1ujd n MET 111 N 4.15 1.93 -2.75 3.55 2.81 0.48 -4.87 117.12 122.43 1ujd n MET 111 Ca 0.12 0.69 -0.43 0.00 -1.81 0.00 0.00 57.70 56.28 1ujd n MET 111 Cb 0.49 -2.39 -0.02 0.00 -0.71 0.00 0.00 33.22 30.59 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 0.58 6.65 -0.02 7.83 0.01 -1.26 -4.33 113.70 123.15 1ujd s SER 112 Ca 0.75 -1.96 -0.12 0.00 1.31 0.00 0.00 55.95 55.93 1ujd s SER 112 Cb -0.71 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 62.98 1ujd s SER 112 CO 0.44 -1.21 0.33 -0.83 0.41 0.00 0.00 173.24 172.38 1ujd s GLY 113 N 4.14 2.37 1.06 3.44 0.00 -1.26 -5.09 107.32 111.97 1ujd s GLY 113 Ca 0.41 -0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.59 1ujd s GLY 113 CO -0.07 -0.05 1.17 -1.55 0.00 0.00 0.00 173.10 172.60 1ujd n PRO 114 N 1.71 -2.15 -3.64 2.90 -0.04 -1.26 -4.99 135.00 127.52 1ujd n PRO 114 Ca -0.15 -1.83 -0.06 0.00 -0.04 0.00 0.00 63.50 61.42 1ujd n PRO 114 Cb 0.53 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 -5.02 -0.22 -0.17 3.54 0.15 -1.26 -5.05 113.70 105.67 1ujd s SER 115 Ca 0.70 0.42 -0.04 0.00 0.70 0.00 0.00 55.95 57.73 1ujd s SER 115 Cb -0.04 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.75 1ujd s SER 115 CO 0.52 -0.08 0.07 -0.94 1.20 0.00 0.00 173.24 174.01 1ujd s SER 116 N 0.03 2.45 0.00 5.45 1.04 -1.26 -5.31 113.70 116.10 1ujd s SER 116 Ca 0.05 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1ujd s SER 116 Cb -0.05 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1ujd s SER 116 CO -0.11 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.39