#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd s SER 2 N 0.00 -0.45 -0.05 1.61 0.15 -1.26 -5.16 113.70 108.54 1ujd s SER 2 Ca 0.00 0.63 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1ujd s SER 2 Cb 0.00 1.44 -0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1ujd s SER 2 CO 0.00 -0.09 -0.18 -0.44 1.20 0.00 0.00 173.24 173.73 1ujd s SER 3 N 2.08 2.27 0.00 5.45 0.01 -1.26 -5.00 113.70 117.26 1ujd s SER 3 Ca -0.04 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1ujd s SER 3 Cb -0.04 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1ujd s SER 3 CO -0.16 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1ujd n GLY 4 N 3.25 -1.64 3.15 3.44 0.00 -1.26 -5.13 105.19 107.00 1ujd n GLY 4 Ca -0.19 0.46 0.06 0.00 0.00 0.00 0.00 46.02 46.35 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 1.01 -0.27 0.10 1.61 0.01 -1.26 -5.17 113.70 109.73 1ujd s SER 5 Ca 0.00 0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.43 1ujd s SER 5 Cb 0.00 1.20 -0.04 0.00 0.21 0.00 0.00 66.02 67.39 1ujd s SER 5 CO 0.00 -0.05 -0.16 -0.55 0.41 0.00 0.00 173.24 172.89 1ujd s SER 6 N 2.97 3.98 0.23 2.44 0.15 -1.26 -5.12 113.70 117.09 1ujd s SER 6 Ca 0.12 -0.49 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 1ujd s SER 6 Cb -0.05 -0.62 0.06 0.00 -1.71 0.00 0.00 66.02 63.69 1ujd s SER 6 CO -0.16 0.19 0.75 0.61 1.20 0.00 0.00 173.24 175.83 1ujd n GLY 7 N 0.93 0.93 0.09 9.45 0.00 -1.26 -5.19 105.19 110.14 1ujd n GLY 7 Ca -0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 1ujd n GLY 7 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ujd n HIS 8 N -0.52 0.01 -0.49 1.61 -0.00 -1.26 -5.14 115.22 109.43 1ujd n HIS 8 Ca -0.04 -0.07 -0.29 0.00 -0.00 0.00 0.00 57.72 57.33 1ujd n HIS 8 Cb 0.48 -0.00 0.25 0.00 -0.00 0.00 0.00 29.99 30.72 1ujd n HIS 8 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ujd n TYR 9 N -0.02 -1.27 0.14 -1.40 4.01 -1.26 -4.91 117.16 112.45 1ujd n TYR 9 Ca -0.00 -0.14 0.01 0.00 -0.16 0.00 0.00 57.90 57.61 1ujd n TYR 9 Cb 0.02 -1.69 0.17 0.00 -0.31 0.00 0.00 39.34 37.52 1ujd n TYR 9 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 1ujd h ILE 10 N -2.66 1.18 -3.04 -0.72 3.07 -2.05 -3.45 117.51 109.85 1ujd h ILE 10 Ca -0.61 -2.11 -0.47 0.00 1.55 0.00 0.00 64.86 63.21 1ujd h ILE 10 Cb 1.33 2.22 0.02 0.00 -0.27 0.00 0.00 36.82 40.13 1ujd h ILE 10 CO 0.48 0.56 -0.06 0.72 -1.05 0.00 0.00 178.15 178.80 1ujd s PHE 11 N -3.37 3.42 -0.13 0.16 -0.12 -1.26 -5.04 117.98 111.64 1ujd s PHE 11 Ca 0.00 0.45 -0.29 0.00 -0.05 0.00 0.00 56.93 57.04 1ujd s PHE 11 Cb 0.11 -2.18 -0.02 0.00 -0.63 0.00 0.00 43.02 40.30 1ujd s PHE 11 CO 0.74 -0.18 1.26 -1.25 -0.05 0.00 0.00 175.22 175.73 1ujd s PRO 12 N -4.54 4.26 0.26 1.99 0.04 -1.26 -5.01 135.00 130.75 1ujd s PRO 12 Ca 0.45 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1ujd s PRO 12 Cb -0.10 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1ujd s PRO 12 CO 0.39 -0.64 0.13 -3.38 0.04 0.00 0.00 177.00 173.55 1ujd s HIS 13 N 3.14 1.47 -0.30 0.56 -3.43 -1.26 -0.88 115.29 114.58 1ujd s HIS 13 Ca 0.56 -1.30 -0.04 0.00 -0.80 0.00 0.00 55.06 53.48 1ujd s HIS 13 Cb -0.23 -0.80 0.18 0.00 -1.43 0.00 0.00 32.58 30.31 1ujd s HIS 13 CO 0.17 -0.48 0.69 0.00 -2.00 0.00 0.00 174.74 173.12 1ujd s ALA 14 N -3.80 -2.47 -0.18 -1.38 0.00 -0.97 -4.81 121.76 108.15 1ujd s ALA 14 Ca 0.38 1.80 -0.24 0.00 0.00 0.00 0.00 51.96 53.90 1ujd s ALA 14 Cb 0.07 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1ujd s ALA 14 CO 0.15 -1.33 0.77 1.03 0.00 0.00 0.00 175.76 176.38 1ujd s ARG 15 N 2.87 4.27 0.24 0.00 0.52 -1.26 -3.40 118.95 122.19 1ujd s ARG 15 Ca 0.15 0.89 0.12 0.00 -0.52 0.00 0.00 55.73 56.37 1ujd s ARG 15 Cb -0.14 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 1ujd s ARG 15 CO -0.19 -0.30 -0.22 0.42 0.02 0.00 0.00 175.30 175.04 1ujd s ILE 16 N 2.07 2.41 -0.11 1.52 1.09 -0.20 -4.97 121.20 123.00 1ujd s ILE 16 Ca 0.35 -2.24 -0.01 0.00 -1.10 0.00 0.00 60.65 57.65 1ujd s ILE 16 Cb -0.16 -2.22 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 1ujd s ILE 16 CO 0.12 -0.28 -0.06 -1.59 -0.10 0.00 0.00 174.94 173.02 1ujd s LYS 17 N -3.15 3.15 -0.35 2.79 0.00 -1.26 0.02 119.74 120.94 1ujd s LYS 17 Ca 0.26 -0.55 -0.22 0.00 0.00 0.00 0.00 55.97 55.45 1ujd s LYS 17 Cb -0.06 -2.71 0.01 0.00 0.00 0.00 0.00 37.83 35.07 1ujd s LYS 17 CO 0.13 0.46 0.75 0.42 0.00 0.00 0.00 175.35 177.10 1ujd s ILE 18 N -0.26 4.78 -0.19 3.79 -1.09 0.44 -4.93 121.20 123.73 1ujd s ILE 18 Ca 0.04 0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 59.22 1ujd s ILE 18 Cb -0.13 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1ujd s ILE 18 CO 0.02 -0.38 0.08 0.42 -1.23 0.00 0.00 174.94 173.85 1ujd s THR 19 N 2.98 4.84 0.34 2.92 -4.23 -1.26 -2.03 115.64 119.21 1ujd s THR 19 Ca 0.30 -0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1ujd s THR 19 Cb -0.14 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.41 1ujd s THR 19 CO 0.16 0.44 0.82 -0.60 -0.54 0.00 0.00 174.62 174.90 1ujd s ARG 20 N 0.53 4.17 0.53 3.99 3.52 -1.26 -4.66 118.95 125.77 1ujd s ARG 20 Ca 0.04 0.90 -0.03 0.00 -0.13 0.00 0.00 55.73 56.51 1ujd s ARG 20 Cb -0.13 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.81 1ujd s ARG 20 CO 0.01 0.15 0.79 0.16 -0.81 0.00 0.00 175.30 175.60 1ujd s ASP 21 N -2.09 5.62 -0.61 -2.12 1.47 -1.26 -4.94 116.67 112.74 1ujd s ASP 21 Ca 0.54 0.44 -0.26 0.00 1.18 0.00 0.00 52.55 54.46 1ujd s ASP 21 Cb -0.12 -1.51 -0.10 0.00 -0.34 0.00 0.00 42.92 40.85 1ujd s ASP 21 CO 0.17 -0.94 2.40 -0.55 0.68 0.00 0.00 175.17 176.93 1ujd s SER 22 N -4.29 4.22 -0.09 2.11 0.15 -1.26 -4.86 113.70 109.68 1ujd s SER 22 Ca 0.52 0.66 -0.12 0.00 0.70 0.00 0.00 55.95 57.71 1ujd s SER 22 Cb -0.10 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1ujd s SER 22 CO 0.41 -3.27 0.32 -0.75 1.20 0.00 0.00 173.24 171.15 1ujd s LYS 23 N 8.50 0.47 -0.29 5.44 2.36 -1.26 -5.13 119.74 129.83 1ujd s LYS 23 Ca 0.95 0.27 0.02 0.00 -2.55 0.00 0.00 55.97 54.66 1ujd s LYS 23 Cb -0.15 0.22 0.16 0.00 -1.05 0.00 0.00 37.83 37.01 1ujd s LYS 23 CO 0.19 -0.09 0.41 0.34 1.55 0.00 0.00 175.35 177.75 1ujd s ASP 24 N -0.27 0.38 -0.39 1.43 2.15 -1.26 -5.08 116.67 113.64 1ujd s ASP 24 Ca -0.04 -0.38 0.02 0.00 0.43 0.00 0.00 52.55 52.58 1ujd s ASP 24 Cb -0.03 1.11 0.15 0.00 -0.30 0.00 0.00 42.92 43.85 1ujd s ASP 24 CO 0.02 -0.35 0.27 -1.00 -0.17 0.00 0.00 175.17 173.93 1ujd s HIS 25 N 2.54 1.03 0.51 -5.34 3.76 -1.26 -5.09 115.29 111.44 1ujd s HIS 25 Ca 0.10 -2.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.00 1ujd s HIS 25 Cb -0.12 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.53 1ujd s HIS 25 CO -0.30 -0.82 0.00 2.41 -0.85 0.00 0.00 174.74 175.18 1ujd n THR 26 N 3.47 -1.91 -0.19 1.30 -1.04 -1.26 -4.31 114.28 110.35 1ujd n THR 26 Ca 0.19 1.09 0.25 0.00 -2.04 0.00 0.00 64.05 63.53 1ujd n THR 26 Cb 0.41 -1.77 0.65 0.00 -1.82 0.00 0.00 70.33 67.80 1ujd n THR 26 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1ujd h VAL 27 N -0.29 0.61 0.00 12.58 -1.51 -2.04 -3.44 116.25 122.17 1ujd h VAL 27 Ca -0.05 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1ujd h VAL 27 Cb 0.92 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1ujd h VAL 27 CO 0.02 0.02 0.00 -1.20 -1.23 0.00 0.00 177.57 175.19 1ujd n SER 28 N -4.36 0.00 0.00 4.19 7.64 -1.26 -4.69 113.62 115.13 1ujd n SER 28 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1ujd n SER 28 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.00 -0.88 3.75 0.23 0.00 -1.26 -5.11 105.19 101.92 1ujd n GLY 29 Ca 0.00 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1ujd n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujd s ASN 30 N -3.04 6.51 0.06 1.61 4.22 -1.26 -4.21 114.94 118.84 1ujd s ASN 30 Ca 0.00 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 1ujd s ASN 30 Cb 0.00 -2.20 0.00 0.00 1.28 0.00 0.00 41.25 40.33 1ujd s ASN 30 CO 0.00 0.12 0.00 0.61 -2.04 0.00 0.00 177.10 175.79 1ujd n GLY 31 N 3.12 1.72 1.29 0.45 0.00 -1.26 -4.98 105.19 105.53 1ujd n GLY 31 Ca -0.12 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 43.98 1ujd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ujd n LEU 32 N 0.00 -0.66 -3.46 0.99 4.77 -1.26 -4.80 117.00 112.58 1ujd n LEU 32 Ca 0.00 1.48 -0.28 0.00 -0.03 0.00 0.00 56.01 57.18 1ujd n LEU 32 Cb 0.00 -4.02 -0.12 0.00 -2.33 0.00 0.00 43.42 36.95 1ujd n LEU 32 CO 0.00 -3.22 -0.31 -0.83 -1.33 0.00 0.00 177.39 171.70 1ujd s GLY 33 N -6.47 0.78 -0.20 -0.72 0.00 -1.26 -4.96 107.32 94.49 1ujd s GLY 33 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1ujd s GLY 33 CO 0.00 2.13 0.50 -1.50 0.00 0.00 0.00 173.10 174.23 1ujd s ILE 34 N 1.16 -0.01 -0.38 0.90 2.07 -1.26 -2.69 121.20 120.98 1ujd s ILE 34 Ca 0.17 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.39 1ujd s ILE 34 Cb -0.22 -0.73 0.06 0.00 0.13 0.00 0.00 42.46 41.70 1ujd s ILE 34 CO -0.01 0.02 0.18 -0.13 -1.91 0.00 0.00 174.94 173.09 1ujd s ARG 35 N 1.19 2.56 -0.13 3.50 1.81 -1.03 -4.95 118.95 121.89 1ujd s ARG 35 Ca -0.07 -1.35 -0.01 0.00 -1.72 0.00 0.00 55.73 52.58 1ujd s ARG 35 Cb -0.06 -3.62 -0.02 0.00 -0.45 0.00 0.00 34.95 30.80 1ujd s ARG 35 CO -0.11 -0.83 -0.12 0.42 -0.68 0.00 0.00 175.30 173.98 1ujd s ILE 36 N 1.39 3.18 -0.32 1.52 1.01 -1.26 0.58 121.20 127.30 1ujd s ILE 36 Ca 0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 1ujd s ILE 36 Cb -0.21 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.92 1ujd s ILE 36 CO 0.02 0.52 0.14 -0.69 0.00 0.00 0.00 174.94 174.93 1ujd s VAL 37 N 0.35 4.35 0.20 2.92 1.01 -0.26 -4.69 120.40 124.27 1ujd s VAL 37 Ca -0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ujd s VAL 37 Cb -0.16 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1ujd s VAL 37 CO 0.05 0.01 0.27 0.61 0.00 0.00 0.00 175.10 176.04 1ujd n GLY 38 N 4.94 0.08 2.16 4.51 0.00 -1.26 -2.12 105.19 113.49 1ujd n GLY 38 Ca -0.14 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 3.05 0.24 3.80 -0.02 0.00 -1.08 -3.91 105.19 107.27 1ujd n GLY 39 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.02 3.86 0.09 1.61 2.36 0.38 -4.82 119.74 119.20 1ujd s LYS 40 Ca 0.00 -0.15 -0.33 0.00 -2.55 0.00 0.00 55.97 52.95 1ujd s LYS 40 Cb 0.00 -3.31 -0.12 0.00 -1.05 0.00 0.00 37.83 33.35 1ujd s LYS 40 CO 0.00 0.52 1.76 -1.91 1.55 0.00 0.00 175.35 177.27 1ujd n GLU 41 N 2.80 2.45 -2.42 4.03 2.13 -1.26 -0.28 120.64 128.09 1ujd n GLU 41 Ca -0.17 0.89 -0.39 0.00 0.66 0.00 0.00 57.16 58.14 1ujd n GLU 41 Cb 0.53 -2.73 -0.04 0.00 0.27 0.00 0.00 31.44 29.48 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 2.43 3.39 -1.12 6.31 1.01 -1.26 -4.84 121.20 127.12 1ujd s ILE 42 Ca 0.83 1.29 -0.07 0.00 0.00 0.00 0.00 60.65 62.70 1ujd s ILE 42 Cb -0.59 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 1ujd s ILE 42 CO 0.41 0.22 2.52 -0.81 0.00 0.00 0.00 174.94 177.28 1ujd n PRO 43 N 0.70 2.68 0.00 2.79 -0.04 -1.26 -4.19 135.00 135.68 1ujd n PRO 43 Ca 0.01 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1ujd n PRO 43 Cb 0.46 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 3.59 1.80 3.62 0.55 0.00 -1.26 -4.94 105.19 108.55 1ujd n GLY 44 Ca 0.57 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1ujd n GLY 44 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ujd n HIS 45 N 0.00 -2.31 -2.39 1.61 1.44 -1.26 -5.06 115.22 107.25 1ujd n HIS 45 Ca 0.00 -1.78 -0.36 0.00 -2.01 0.00 0.00 57.72 53.57 1ujd n HIS 45 Cb 0.00 0.89 0.01 0.00 0.12 0.00 0.00 29.99 31.01 1ujd n HIS 45 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1ujd n SER 46 N -1.51 6.44 -1.93 4.39 7.64 -1.26 -4.83 113.62 122.56 1ujd n SER 46 Ca -0.08 -3.75 -0.00 0.00 1.01 0.00 0.00 58.87 56.04 1ujd n SER 46 Cb 0.57 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1ujd n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 47 N -0.35 -0.63 0.00 0.23 0.00 -1.26 -5.09 105.19 98.09 1ujd n GLY 47 Ca 0.45 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1ujd n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ujd n GLU 48 N -1.06 0.13 -3.64 1.61 4.07 -1.26 -5.17 120.64 115.32 1ujd n GLU 48 Ca 0.01 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.07 1ujd n GLU 48 Cb 0.42 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.74 1ujd n GLU 48 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1ujd s ILE 49 N 0.56 0.00 0.05 6.31 -4.36 -1.26 -4.54 121.20 117.96 1ujd s ILE 49 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 1ujd s ILE 49 Cb 0.00 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.71 1ujd s ILE 49 CO 0.00 0.00 0.03 0.61 0.24 0.00 0.00 174.94 175.82 1ujd n GLY 50 N 2.77 3.91 3.46 6.27 0.00 0.62 0.56 105.19 122.78 1ujd n GLY 50 Ca -0.15 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.19 2.65 0.04 4.61 0.00 -1.22 -0.47 121.76 125.19 1ujd s ALA 51 Ca 0.05 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.33 1ujd s ALA 51 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1ujd s ALA 51 CO 0.03 0.45 0.18 1.52 0.00 0.00 0.00 175.76 177.94 1ujd s TYR 52 N -1.66 0.09 -0.77 0.00 1.13 -0.90 -0.34 117.35 114.89 1ujd s TYR 52 Ca 0.22 -0.33 -0.26 0.00 -1.41 0.00 0.00 57.07 55.29 1ujd s TYR 52 Cb -0.08 -0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 1ujd s TYR 52 CO 0.11 -0.42 1.76 0.42 -2.51 0.00 0.00 175.55 174.91 1ujd s ILE 53 N -2.63 3.50 0.08 -3.49 1.01 -1.20 -1.11 121.20 117.36 1ujd s ILE 53 Ca -0.05 -0.07 -0.36 0.00 0.00 0.00 0.00 60.65 60.17 1ujd s ILE 53 Cb -0.01 -4.22 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 1ujd s ILE 53 CO -0.04 -1.17 1.57 0.00 0.00 0.00 0.00 174.94 175.30 1ujd h ALA 54 N 12.46 -1.16 -2.27 9.38 0.00 -0.21 -1.89 119.26 135.58 1ujd h ALA 54 Ca -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ujd h ALA 54 Cb 1.08 0.65 -0.23 0.00 0.00 0.00 0.00 17.79 19.29 1ujd h ALA 54 CO 1.25 -1.18 -0.15 0.21 0.00 0.00 0.00 179.25 179.38 1ujd s LYS 55 N -5.92 0.55 0.13 0.00 2.47 -1.13 -4.71 119.74 111.14 1ujd s LYS 55 Ca -0.18 1.09 -0.30 0.00 -1.56 0.00 0.00 55.97 55.02 1ujd s LYS 55 Cb 0.04 0.20 -0.06 0.00 -1.46 0.00 0.00 37.83 36.54 1ujd s LYS 55 CO 0.61 -0.17 0.95 0.42 0.16 0.00 0.00 175.35 177.32 1ujd s ILE 56 N 1.82 4.42 0.85 5.43 1.01 -1.26 -2.47 121.20 131.00 1ujd s ILE 56 Ca -0.08 2.07 -0.14 0.00 0.00 0.00 0.00 60.65 62.49 1ujd s ILE 56 Cb -0.08 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1ujd s ILE 56 CO -0.17 0.35 0.63 0.18 0.00 0.00 0.00 174.94 175.93 1ujd n LEU 57 N 2.54 1.14 -4.62 2.97 7.99 -1.09 -4.86 117.00 121.07 1ujd n LEU 57 Ca 0.01 0.47 -0.43 0.00 -0.01 0.00 0.00 56.01 56.05 1ujd n LEU 57 Cb 0.49 -1.28 -0.02 0.00 -0.11 0.00 0.00 43.42 42.50 1ujd n LEU 57 CO 0.51 -3.04 1.20 -2.16 -1.51 0.00 0.00 177.39 172.38 1ujd s PRO 58 N -3.48 3.76 -1.22 3.23 0.04 -1.26 -3.46 135.00 132.62 1ujd s PRO 58 Ca 0.63 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1ujd s PRO 58 Cb -0.27 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.31 1ujd s PRO 58 CO 0.61 -1.32 0.90 0.41 0.04 0.00 0.00 177.00 177.64 1ujd n GLY 59 N 4.66 -0.39 0.00 0.56 0.00 -1.26 -5.01 105.19 103.75 1ujd n GLY 59 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.35 0.08 -0.02 0.00 -1.22 -4.93 105.19 100.16 1ujd n GLY 60 Ca -0.28 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.53 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 0.11 -0.13 1.61 0.02 -1.83 -0.87 113.55 112.45 1ujd h SER 61 Ca 0.00 -0.74 0.03 0.00 -0.84 0.00 0.00 61.79 60.24 1ujd h SER 61 Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ujd h SER 61 CO 0.00 0.83 0.09 0.00 -1.14 0.00 0.00 176.83 176.61 1ujd h ALA 62 N 0.28 2.05 0.00 3.77 0.00 -1.90 0.74 119.26 124.20 1ujd h ALA 62 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1ujd h ALA 62 Cb 0.84 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1ujd h ALA 62 CO 0.02 -0.08 -0.95 1.49 0.00 0.00 0.00 179.25 179.73 1ujd h GLU 63 N 0.06 0.00 -0.32 0.00 4.57 -1.82 -3.29 114.58 113.78 1ujd h GLU 63 Ca 0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1ujd h GLU 63 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1ujd h GLU 63 CO -0.01 0.95 0.08 1.96 -1.18 0.00 0.00 179.01 180.81 1ujd h GLN 64 N 0.00 0.51 -0.90 1.92 4.20 0.60 -3.07 115.11 118.37 1ujd h GLN 64 Ca -0.01 -0.12 0.14 0.00 0.06 0.00 0.00 58.65 58.72 1ujd h GLN 64 Cb 1.72 -0.07 -0.15 0.00 0.30 0.00 0.00 27.48 29.28 1ujd h GLN 64 CO 0.12 0.58 -0.34 0.25 -0.67 0.00 0.00 178.83 178.78 1ujd n THR 65 N -4.64 -0.46 -1.08 -0.54 -2.24 -0.69 -4.77 114.28 99.85 1ujd n THR 65 Ca -0.02 2.10 -0.03 0.00 -2.27 0.00 0.00 64.05 63.84 1ujd n THR 65 Cb 0.19 -2.80 -0.01 0.00 -2.10 0.00 0.00 70.33 65.62 1ujd n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujd n GLY 66 N -1.44 0.59 0.14 3.38 0.00 -1.16 -4.84 105.19 101.86 1ujd n GLY 66 Ca 0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.64 0.02 -0.78 1.61 4.76 -1.26 -5.05 118.16 114.82 1ujd n LYS 67 Ca -0.03 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 1ujd n LYS 67 Cb 0.12 -0.96 0.21 0.00 -1.84 0.00 0.00 35.03 32.57 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 -5.19 1.47 -0.25 -0.35 -0.00 -1.26 -5.06 118.68 108.03 1ujd s LEU 68 Ca -0.01 1.55 -0.12 0.00 -0.00 0.00 0.00 54.13 55.55 1ujd s LEU 68 Cb 0.00 -3.65 0.09 0.00 -0.00 0.00 0.00 46.19 42.63 1ujd s LEU 68 CO 0.02 -3.62 0.59 -0.04 -0.00 0.00 0.00 176.35 173.29 1ujd s MET 69 N -4.65 0.56 0.53 1.48 -1.94 -1.26 -5.07 119.30 108.95 1ujd s MET 69 Ca 0.67 1.17 -0.19 0.00 -1.71 0.00 0.00 55.69 55.63 1ujd s MET 69 Cb -0.22 0.32 -0.11 0.00 2.01 0.00 0.00 34.83 36.83 1ujd s MET 69 CO 0.61 -0.18 0.40 0.39 -0.01 0.00 0.00 175.02 176.23 1ujd n GLU 70 N 4.75 0.42 -0.84 2.03 4.71 -1.26 -1.73 120.64 128.72 1ujd n GLU 70 Ca -0.17 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1ujd n GLU 70 Cb 0.54 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 1ujd n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ujd n GLY 71 N 1.93 0.84 3.60 0.62 0.00 -0.71 -4.79 105.19 106.68 1ujd n GLY 71 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.16 3.81 -0.32 1.61 -1.94 -0.71 0.94 119.30 122.53 1ujd s MET 72 Ca 0.00 0.58 -0.27 0.00 -1.71 0.00 0.00 55.69 54.29 1ujd s MET 72 Cb 0.00 -3.83 -0.06 0.00 2.01 0.00 0.00 34.83 32.95 1ujd s MET 72 CO 0.00 -1.05 2.30 0.94 -0.01 0.00 0.00 175.02 177.20 1ujd n GLN 73 N 7.01 1.62 -2.22 2.03 7.27 -1.26 -3.24 117.38 128.59 1ujd n GLN 73 Ca 0.08 0.34 -0.43 0.00 0.07 0.00 0.00 57.00 57.06 1ujd n GLN 73 Cb 0.48 -3.30 -0.02 0.00 2.41 0.00 0.00 30.24 29.81 1ujd n GLN 73 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ujd s VAL 74 N 9.71 3.74 0.01 1.69 1.01 0.54 -3.71 120.40 133.39 1ujd s VAL 74 Ca 1.00 0.74 -0.27 0.00 0.00 0.00 0.00 61.98 63.46 1ujd s VAL 74 Cb -0.29 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 1ujd s VAL 74 CO 0.32 -0.66 1.13 -0.07 0.00 0.00 0.00 175.10 175.82 1ujd h LEU 75 N 12.83 -0.75 -8.49 3.92 3.38 -1.50 -3.38 115.31 121.32 1ujd h LEU 75 Ca -0.30 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 1ujd h LEU 75 Cb 1.13 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.92 1ujd h LEU 75 CO 1.07 -0.38 -0.65 -1.61 0.09 0.00 0.00 178.44 176.96 1ujd s GLU 76 N -4.69 0.97 -0.14 1.13 8.01 -1.24 -1.74 118.70 121.00 1ujd s GLU 76 Ca -0.14 -1.46 -0.04 0.00 0.01 0.00 0.00 54.97 53.34 1ujd s GLU 76 Cb 0.02 0.08 0.07 0.00 -4.31 0.00 0.00 34.13 29.99 1ujd s GLU 76 CO 0.44 -0.21 0.17 -0.46 0.01 0.00 0.00 175.26 175.21 1ujd s TRP 77 N -3.92 -0.16 -1.45 1.61 -0.11 0.80 -1.41 118.94 114.30 1ujd s TRP 77 Ca 0.23 0.32 0.00 0.00 1.22 0.00 0.00 56.10 57.87 1ujd s TRP 77 Cb 0.07 -0.37 0.00 0.00 -1.50 0.00 0.00 33.47 31.67 1ujd s TRP 77 CO 0.02 -0.44 0.00 0.09 -4.62 0.00 0.00 176.95 172.00 1ujd n ASN 78 N 5.32 -4.95 0.00 5.86 3.02 0.42 -2.46 115.26 122.46 1ujd n ASN 78 Ca -0.05 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1ujd n ASN 78 Cb 0.50 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 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 -1.01 2.61 3.68 7.41 0.00 -1.26 -4.97 105.19 111.65 1ujd n GLY 79 Ca -0.20 -0.60 -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 -0.01 2.94 0.35 -0.61 1.09 -1.03 -4.90 121.20 119.03 1ujd s ILE 80 Ca 0.00 0.21 -0.26 0.00 -1.10 0.00 0.00 60.65 59.50 1ujd s ILE 80 Cb 0.00 -3.13 -0.09 0.00 -1.06 0.00 0.00 42.46 38.18 1ujd s ILE 80 CO 0.00 -0.01 1.06 -2.16 -0.10 0.00 0.00 174.94 173.73 1ujd s PRO 81 N 3.53 4.34 -0.33 2.79 0.04 -1.26 -0.14 135.00 143.97 1ujd s PRO 81 Ca 0.81 1.61 0.09 0.00 0.04 0.00 0.00 61.00 63.56 1ujd s PRO 81 Cb -0.42 -2.78 0.63 0.00 0.04 0.00 0.00 34.50 31.97 1ujd s PRO 81 CO 0.37 -0.01 1.69 1.28 0.04 0.00 0.00 177.00 180.37 1ujd n LEU 82 N 0.40 5.42 -4.77 -3.56 4.77 -0.71 -4.89 117.00 113.66 1ujd n LEU 82 Ca 0.03 -3.46 -0.36 0.00 -0.03 0.00 0.00 56.01 52.19 1ujd n LEU 82 Cb 0.48 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1ujd n LEU 82 CO 0.48 0.98 -0.14 -0.89 -1.33 0.00 0.00 177.39 176.49 1ujd s THR 83 N -3.13 5.41 -0.90 -5.08 2.01 -1.26 -3.39 115.64 109.29 1ujd s THR 83 Ca 0.51 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.78 1ujd s THR 83 Cb 0.43 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1ujd s THR 83 CO 0.08 0.48 0.03 -0.24 -0.69 0.00 0.00 174.62 174.28 1ujd n SER 84 N 3.10 -3.55 -3.28 3.53 2.88 0.19 -5.01 113.62 111.48 1ujd n SER 84 Ca -0.16 -0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.22 1ujd n SER 84 Cb 0.53 -2.76 -0.01 0.00 -0.75 0.00 0.00 64.21 61.21 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 -2.06 1.22 -4.40 -1.46 4.76 -1.26 -5.03 118.16 109.93 1ujd n LYS 85 Ca -0.12 -1.62 -0.28 0.00 -2.87 0.00 0.00 58.31 53.42 1ujd n LYS 85 Cb 0.59 0.26 -0.12 0.00 -1.84 0.00 0.00 35.03 33.92 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 -1.43 2.38 0.17 -0.18 -4.23 -1.26 -3.04 115.64 108.05 1ujd s THR 86 Ca 0.10 -1.86 -0.21 0.00 -1.18 0.00 0.00 61.69 58.53 1ujd s THR 86 Cb -0.01 -2.10 0.06 0.00 1.34 0.00 0.00 72.50 71.79 1ujd s THR 86 CO 0.06 -0.01 1.33 0.00 -0.54 0.00 0.00 174.62 175.46 1ujd n TYR 87 N 0.57 -0.19 0.06 3.99 4.19 -1.25 -0.63 117.16 123.89 1ujd n TYR 87 Ca -0.15 1.07 -0.05 0.00 3.31 0.00 0.00 57.90 62.08 1ujd n TYR 87 Cb 0.54 -0.69 -0.03 0.00 0.49 0.00 0.00 39.34 39.66 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 -0.24 0.00 2.98 5.08 -1.96 -0.00 114.58 120.43 1ujd h GLU 88 Ca 0.21 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ujd h GLU 88 Cb 0.43 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ujd h GLU 88 CO -0.83 -0.16 0.00 0.39 -1.00 0.00 0.00 179.01 177.41 1ujd n GLU 89 N -3.26 0.00 -0.39 2.33 1.02 -0.34 0.17 120.64 120.17 1ujd n GLU 89 Ca -0.03 0.93 -0.10 0.00 -0.02 0.00 0.00 57.16 57.95 1ujd n GLU 89 Cb 0.13 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ujd n VAL 90 N -2.90 -0.63 -0.20 2.62 0.31 0.20 0.13 118.33 117.86 1ujd n VAL 90 Ca 0.00 2.27 0.01 0.00 -0.01 0.00 0.00 64.34 66.61 1ujd n VAL 90 Cb 0.00 -2.82 0.11 0.00 -0.91 0.00 0.00 33.84 30.22 1ujd n VAL 90 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ujd h GLN 91 N 0.00 0.31 -0.74 5.55 4.15 0.11 0.54 115.11 125.04 1ujd h GLN 91 Ca 0.17 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1ujd h GLN 91 Cb 0.40 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1ujd h GLN 91 CO -0.89 0.21 0.47 0.77 -1.93 0.00 0.00 178.83 177.46 1ujd h SER 92 N 0.32 0.86 0.56 -0.69 0.02 0.96 1.51 113.55 117.10 1ujd h SER 92 Ca 0.32 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1ujd h SER 92 Cb 0.44 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1ujd h SER 92 CO -0.36 0.65 -0.27 0.40 -1.14 0.00 0.00 176.83 176.10 1ujd h ILE 93 N 1.01 0.00 -0.71 3.27 2.04 0.38 -3.25 117.51 120.25 1ujd h ILE 93 Ca 0.27 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1ujd h ILE 93 Cb -0.08 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 35.95 1ujd h ILE 93 CO -0.05 0.00 0.41 0.16 0.00 0.00 0.00 178.15 178.67 1ujd h ILE 94 N -1.18 0.99 -2.78 -0.67 3.07 0.09 -3.43 117.51 113.60 1ujd h ILE 94 Ca -0.08 -0.26 -0.28 0.00 1.55 0.00 0.00 64.86 65.79 1ujd h ILE 94 Cb 0.58 0.17 0.14 0.00 -0.27 0.00 0.00 36.82 37.43 1ujd h ILE 94 CO 0.13 0.14 0.07 -1.20 -1.05 0.00 0.00 178.15 176.23 1ujd n SER 95 N -4.74 -1.92 -3.15 2.16 7.64 0.52 -4.60 113.62 109.52 1ujd n SER 95 Ca 0.09 -0.94 -0.00 0.00 1.01 0.00 0.00 58.87 59.03 1ujd n SER 95 Cb 0.17 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 -3.93 -0.55 -3.73 1.43 7.27 -1.26 -4.87 117.38 111.74 1ujd n GLN 96 Ca 0.11 0.93 -0.13 0.00 0.07 0.00 0.00 57.00 57.97 1ujd n GLN 96 Cb 0.42 -1.20 -0.10 0.00 2.41 0.00 0.00 30.24 31.76 1ujd n GLN 96 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1ujd s GLN 97 N -0.93 0.49 0.12 3.69 -2.07 -1.26 -4.97 119.66 114.72 1ujd s GLN 97 Ca -0.00 0.57 -0.31 0.00 -1.82 0.00 0.00 55.36 53.81 1ujd s GLN 97 Cb 0.00 0.24 -0.11 0.00 -1.09 0.00 0.00 33.01 32.05 1ujd s GLN 97 CO 0.04 -0.06 1.50 0.77 -1.32 0.00 0.00 175.29 176.23 1ujd h SER 98 N 5.47 -1.67 0.00 12.60 0.02 -1.95 -3.41 113.55 124.62 1ujd h SER 98 Ca -0.27 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1ujd h SER 98 Cb 1.18 0.67 0.00 0.00 0.14 0.00 0.00 62.40 64.39 1ujd h SER 98 CO 0.24 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.14 1ujd n GLY 99 N -1.37 3.36 3.15 -3.77 0.00 -1.26 -4.96 105.19 100.34 1ujd n GLY 99 Ca -0.04 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ujd n GLU 100 N 0.00 0.00 -4.04 1.61 0.00 -1.26 -4.94 120.64 112.02 1ujd n GLU 100 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 1ujd n GLU 100 Cb 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 31.44 30.39 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 -1.48 0.33 -0.16 -1.84 0.00 -0.86 -4.94 121.76 112.82 1ujd s ALA 101 Ca 0.57 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1ujd s ALA 101 Cb -0.65 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1ujd s ALA 101 CO 0.58 -0.26 0.20 -1.21 0.00 0.00 0.00 175.76 175.08 1ujd s GLU 102 N -2.69 4.03 -0.08 0.00 2.02 -1.26 0.17 118.70 120.89 1ujd s GLU 102 Ca -0.04 -0.06 0.03 0.00 0.02 0.00 0.00 54.97 54.92 1ujd s GLU 102 Cb -0.01 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1ujd s GLU 102 CO -0.05 0.41 -0.18 -1.50 0.02 0.00 0.00 175.26 173.95 1ujd s ILE 103 N 0.00 1.60 -0.33 -1.63 2.07 0.10 0.16 121.20 123.17 1ujd s ILE 103 Ca 0.13 -0.76 -0.09 0.00 -1.41 0.00 0.00 60.65 58.52 1ujd s ILE 103 Cb -0.12 -1.40 0.01 0.00 0.13 0.00 0.00 42.46 41.08 1ujd s ILE 103 CO 0.02 0.46 0.15 0.00 -1.91 0.00 0.00 174.94 173.65 1ujd s VAL 105 N 1.54 3.68 -0.32 0.00 -7.23 -1.22 -1.34 120.40 115.51 1ujd s VAL 105 Ca 0.02 -1.72 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1ujd s VAL 105 Cb -0.18 -2.95 0.03 0.00 0.56 0.00 0.00 36.38 33.84 1ujd s VAL 105 CO 0.05 -0.32 0.09 -0.60 -0.31 0.00 0.00 175.10 174.01 1ujd s ARG 106 N -3.56 2.71 0.17 4.82 3.52 -1.24 -2.29 118.95 123.08 1ujd s ARG 106 Ca 0.31 -1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 54.50 1ujd s ARG 106 Cb -0.07 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1ujd s ARG 106 CO 0.20 -0.61 1.54 1.28 -0.81 0.00 0.00 175.30 176.90 1ujd n LEU 107 N 4.81 -1.01 -4.86 -0.88 4.77 -0.06 -4.36 117.00 115.41 1ujd n LEU 107 Ca -0.13 1.77 -0.31 0.00 -0.03 0.00 0.00 56.01 57.31 1ujd n LEU 107 Cb 0.45 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1ujd n LEU 107 CO 0.31 -1.46 0.60 -0.62 -1.33 0.00 0.00 177.39 174.89 1ujd s ASP 108 N -5.48 6.47 0.00 -1.43 2.15 -1.22 -4.87 116.67 112.29 1ujd s ASP 108 Ca -0.12 1.36 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1ujd s ASP 108 Cb 0.12 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1ujd s ASP 108 CO 0.63 -0.60 0.00 -0.11 -0.17 0.00 0.00 175.17 174.92 1ujd n LEU 109 N -1.84 -1.27 -3.86 -1.34 0.00 -1.26 -4.88 117.00 102.55 1ujd n LEU 109 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.92 1ujd n LEU 109 Cb 0.54 -0.63 -0.15 0.00 0.00 0.00 0.00 43.42 43.18 1ujd n LEU 109 CO 0.50 0.00 -0.37 0.20 0.00 0.00 0.00 177.39 177.72 1ujd s ASN 110 N 0.00 0.17 -0.16 1.96 0.01 -1.26 -4.22 114.94 111.44 1ujd s ASN 110 Ca 0.00 -0.01 -0.20 0.00 -0.71 0.00 0.00 52.86 51.94 1ujd s ASN 110 Cb 0.00 -0.05 -0.17 0.00 0.41 0.00 0.00 41.25 41.44 1ujd s ASN 110 CO 0.00 -0.02 0.34 0.24 -1.51 0.00 0.00 177.10 176.14 1ujd h MET 111 N 6.47 0.00 -5.39 -0.60 2.86 0.23 -3.46 114.93 115.04 1ujd h MET 111 Ca -0.31 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 56.91 1ujd h MET 111 Cb 1.18 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.63 1ujd h MET 111 CO 0.50 0.74 -0.78 -1.12 1.06 0.00 0.00 176.91 177.31 1ujd s SER 112 N -6.31 1.77 -0.21 1.22 0.01 -1.26 -5.04 113.70 103.89 1ujd s SER 112 Ca -0.20 -0.67 -0.34 0.00 1.31 0.00 0.00 55.95 56.06 1ujd s SER 112 Cb 0.01 -0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.34 1ujd s SER 112 CO 0.50 -0.09 1.23 -0.83 0.41 0.00 0.00 173.24 174.46 1ujd s GLY 113 N -1.91 -0.21 -0.03 3.44 0.00 -1.26 -4.11 107.32 103.23 1ujd s GLY 113 Ca 0.01 1.88 -0.23 0.00 0.00 0.00 0.00 44.72 46.38 1ujd s GLY 113 CO 0.02 0.69 1.08 -0.56 0.00 0.00 0.00 173.10 174.33 1ujd h PRO 114 N 2.06 0.24 -6.56 2.90 0.13 -2.01 -3.45 132.00 125.31 1ujd h PRO 114 Ca -0.09 -0.23 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 1ujd h PRO 114 Cb 1.17 0.06 0.07 0.00 0.13 0.00 0.00 31.00 32.42 1ujd h PRO 114 CO 0.23 0.93 0.77 0.43 -0.23 0.00 0.00 178.00 180.13 1ujd n SER 115 N -4.46 3.13 -4.40 1.44 7.64 -1.26 -4.98 113.62 110.72 1ujd n SER 115 Ca -0.09 1.10 -0.29 0.00 1.01 0.00 0.00 58.87 60.60 1ujd n SER 115 Cb 0.52 -1.45 -0.13 0.00 -1.01 0.00 0.00 64.21 62.14 1ujd n SER 115 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujd s SER 116 N 0.72 3.42 0.00 6.43 0.01 -1.26 -5.16 113.70 117.85 1ujd s SER 116 Ca 0.74 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1ujd s SER 116 Cb -0.64 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1ujd s SER 116 CO 0.42 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.87