#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 -0.78 -0.30 1.61 0.01 -1.26 -5.13 113.70 107.85 1ujd s SER 2 Ca 0.00 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 1ujd s SER 2 Cb 0.00 1.00 0.16 0.00 0.21 0.00 0.00 66.02 67.40 1ujd s SER 2 CO 0.00 -0.07 0.87 -0.55 0.41 0.00 0.00 173.24 173.91 1ujd s SER 3 N 1.58 -0.79 0.00 2.44 0.15 -1.26 -5.05 113.70 110.77 1ujd s SER 3 Ca 0.19 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1ujd s SER 3 Cb 0.03 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 1ujd s SER 3 CO -0.11 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1ujd n GLY 4 N 5.20 -2.05 3.24 9.45 0.00 -1.26 -5.14 105.19 114.64 1ujd n GLY 4 Ca -0.08 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 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 2.00 2.85 -0.01 1.61 0.15 -1.26 -4.95 113.70 114.09 1ujd s SER 5 Ca 0.00 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 1ujd s SER 5 Cb 0.00 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 1ujd s SER 5 CO 0.00 0.23 0.03 -0.24 1.20 0.00 0.00 173.24 174.47 1ujd n SER 6 N 2.92 -8.26 -4.93 5.45 2.88 -1.26 -5.03 113.62 105.39 1ujd n SER 6 Ca -0.17 1.80 -0.20 0.00 -1.33 0.00 0.00 58.87 58.97 1ujd n SER 6 Cb 0.52 -5.17 -0.02 0.00 -0.75 0.00 0.00 64.21 58.80 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 -0.60 1.73 -0.16 0.46 0.00 -1.26 -5.03 107.32 102.47 1ujd s GLY 7 Ca -0.04 -1.58 -0.03 0.00 0.00 0.00 0.00 44.72 43.07 1ujd s GLY 7 CO 0.10 -1.48 -0.06 -1.58 0.00 0.00 0.00 173.10 170.08 1ujd s HIS 8 N -2.26 2.97 1.34 1.90 2.46 -1.26 -5.11 115.29 115.34 1ujd s HIS 8 Ca 0.45 -0.44 -0.19 0.00 0.47 0.00 0.00 55.06 55.35 1ujd s HIS 8 Cb -0.08 -1.95 0.34 0.00 -0.13 0.00 0.00 32.58 30.77 1ujd s HIS 8 CO 0.29 -0.13 0.96 0.71 -2.47 0.00 0.00 174.74 174.10 1ujd s TYR 9 N 0.48 0.09 0.09 3.88 2.02 -1.26 -4.91 117.35 117.75 1ujd s TYR 9 Ca -0.05 0.81 0.16 0.00 -0.37 0.00 0.00 57.07 57.62 1ujd s TYR 9 Cb -0.15 -2.95 0.39 0.00 -0.40 0.00 0.00 41.96 38.86 1ujd s TYR 9 CO 0.03 -4.65 1.60 -0.84 -1.57 0.00 0.00 175.55 170.12 1ujd h ILE 10 N -3.19 1.03 -2.11 2.71 3.07 -2.05 -3.45 117.51 113.53 1ujd h ILE 10 Ca -0.51 -1.97 -0.46 0.00 1.55 0.00 0.00 64.86 63.47 1ujd h ILE 10 Cb 1.34 2.18 -0.01 0.00 -0.27 0.00 0.00 36.82 40.06 1ujd h ILE 10 CO 0.37 0.49 -0.40 0.72 -1.05 0.00 0.00 178.15 178.28 1ujd s PHE 11 N -3.35 3.37 0.00 0.16 -0.12 -1.26 -5.07 117.98 111.72 1ujd s PHE 11 Ca 0.01 -0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.53 1ujd s PHE 11 Cb 0.10 -1.68 -0.04 0.00 -0.63 0.00 0.00 43.02 40.77 1ujd s PHE 11 CO 0.72 0.33 1.19 -1.25 -0.05 0.00 0.00 175.22 176.16 1ujd s PRO 12 N -4.03 4.40 0.26 1.99 0.04 -1.26 -4.98 135.00 131.41 1ujd s PRO 12 Ca 0.37 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1ujd s PRO 12 Cb -0.09 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 1ujd s PRO 12 CO 0.30 -0.34 0.33 -3.38 0.04 0.00 0.00 177.00 173.95 1ujd s HIS 13 N 1.61 0.94 0.01 0.56 -3.43 -1.26 -0.09 115.29 113.63 1ujd s HIS 13 Ca 0.57 -1.18 -0.20 0.00 -0.80 0.00 0.00 55.06 53.45 1ujd s HIS 13 Cb -0.27 -0.23 0.04 0.00 -1.43 0.00 0.00 32.58 30.69 1ujd s HIS 13 CO 0.26 -0.88 0.45 0.00 -2.00 0.00 0.00 174.74 172.57 1ujd s ALA 14 N -3.81 -1.14 -0.67 -1.38 0.00 -0.95 -4.83 121.76 108.97 1ujd s ALA 14 Ca 0.32 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1ujd s ALA 14 Cb 0.03 0.22 0.16 0.00 0.00 0.00 0.00 23.12 23.53 1ujd s ALA 14 CO 0.14 -0.40 0.47 1.03 0.00 0.00 0.00 175.76 177.00 1ujd s ARG 15 N -1.94 2.46 0.64 0.00 0.52 -1.26 -2.38 118.95 117.00 1ujd s ARG 15 Ca -0.08 -3.07 -0.12 0.00 -0.52 0.00 0.00 55.73 51.94 1ujd s ARG 15 Cb -0.02 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 1ujd s ARG 15 CO 0.02 -1.22 1.04 0.42 0.02 0.00 0.00 175.30 175.57 1ujd s ILE 16 N -0.99 4.37 0.06 1.52 1.01 -0.91 -4.80 121.20 121.46 1ujd s ILE 16 Ca 0.22 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.73 1ujd s ILE 16 Cb -0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1ujd s ILE 16 CO -0.10 -0.96 -0.04 -1.59 0.00 0.00 0.00 174.94 172.25 1ujd s LYS 17 N -4.97 2.49 -0.29 2.79 0.00 -1.26 -1.27 119.74 117.23 1ujd s LYS 17 Ca 0.57 -0.82 -0.09 0.00 0.00 0.00 0.00 55.97 55.64 1ujd s LYS 17 Cb -0.12 -2.50 -0.01 0.00 0.00 0.00 0.00 37.83 35.19 1ujd s LYS 17 CO 0.52 0.56 0.12 0.42 0.00 0.00 0.00 175.35 176.97 1ujd s ILE 18 N -1.18 4.50 -0.17 3.79 -1.09 0.64 -4.84 121.20 122.84 1ujd s ILE 18 Ca 0.22 -0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.25 1ujd s ILE 18 Cb -0.11 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 1ujd s ILE 18 CO 0.14 0.16 0.01 0.42 -1.23 0.00 0.00 174.94 174.44 1ujd s THR 19 N 1.61 4.35 0.03 2.92 -4.23 -1.26 -2.65 115.64 116.41 1ujd s THR 19 Ca 0.05 -0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.15 1ujd s THR 19 Cb -0.16 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.68 1ujd s THR 19 CO 0.05 0.47 0.65 -0.13 -0.54 0.00 0.00 174.62 175.13 1ujd s ARG 20 N 0.38 4.37 -0.29 3.99 0.52 -1.26 -4.66 118.95 122.00 1ujd s ARG 20 Ca -0.00 0.86 0.04 0.00 -0.52 0.00 0.00 55.73 56.11 1ujd s ARG 20 Cb -0.13 -3.33 0.20 0.00 0.52 0.00 0.00 34.95 32.20 1ujd s ARG 20 CO 0.02 0.39 0.58 -0.51 0.02 0.00 0.00 175.30 175.80 1ujd s ASP 21 N -0.31 -1.51 0.00 0.23 1.01 -1.26 -4.97 116.67 109.86 1ujd s ASP 21 Ca 0.33 0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.89 1ujd s ASP 21 Cb -0.19 2.02 0.00 0.00 1.01 0.00 0.00 42.92 45.76 1ujd s ASP 21 CO 0.20 -0.29 0.00 -0.24 0.21 0.00 0.00 175.17 175.04 1ujd n SER 22 N 5.42 0.00 -2.48 0.27 2.88 -1.26 -4.97 113.62 113.47 1ujd n SER 22 Ca 0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.54 1ujd n SER 22 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1ujd n SER 22 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ujd n LYS 23 N 0.00 -4.74 -1.41 -1.46 4.81 -1.26 -4.89 118.16 109.21 1ujd n LYS 23 Ca 0.00 3.53 0.17 0.00 -0.87 0.00 0.00 58.31 61.14 1ujd n LYS 23 Cb 0.00 -4.89 -0.09 0.00 0.02 0.00 0.00 35.03 30.07 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ujd n ASP 24 N 1.72 -7.69 -0.05 3.14 8.00 -1.26 -4.74 116.55 115.68 1ujd n ASP 24 Ca -0.28 1.44 -0.02 0.00 0.71 0.00 0.00 54.79 56.64 1ujd n ASP 24 Cb 0.43 -4.88 -0.01 0.00 -0.02 0.00 0.00 41.12 36.65 1ujd n ASP 24 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1ujd h HIS 25 N -1.40 0.00 -0.71 1.24 3.86 -1.93 -3.42 115.15 112.80 1ujd h HIS 25 Ca -0.20 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.62 1ujd h HIS 25 Cb 1.36 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.77 1ujd h HIS 25 CO 0.05 0.00 1.12 0.95 0.86 0.00 0.00 177.93 180.91 1ujd s THR 26 N -1.67 3.62 -0.13 2.45 -4.23 -1.26 -4.93 115.64 109.50 1ujd s THR 26 Ca -0.05 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 1ujd s THR 26 Cb 0.01 -4.48 -0.04 0.00 1.34 0.00 0.00 72.50 69.33 1ujd s THR 26 CO 0.08 -1.22 0.04 -0.69 -0.54 0.00 0.00 174.62 172.28 1ujd s VAL 27 N 9.02 4.59 -0.01 2.29 1.01 -1.26 -5.09 120.40 130.95 1ujd s VAL 27 Ca 0.64 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.26 1ujd s VAL 27 Cb -0.03 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1ujd s VAL 27 CO 0.04 0.55 0.72 -0.55 0.00 0.00 0.00 175.10 175.86 1ujd s SER 28 N -0.40 7.08 0.00 3.32 0.15 -1.26 -4.94 113.70 117.65 1ujd s SER 28 Ca 0.09 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1ujd s SER 28 Cb -0.12 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1ujd s SER 28 CO 0.02 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1ujd n GLY 29 N 2.71 1.01 2.84 9.45 0.00 -1.26 -5.15 105.19 114.80 1ujd n GLY 29 Ca -0.02 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1ujd n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ujd s ASN 30 N 2.00 0.13 0.26 1.61 0.01 -1.26 -4.99 114.94 112.70 1ujd s ASN 30 Ca 0.00 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 1ujd s ASN 30 Cb 0.00 0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.74 1ujd s ASN 30 CO 0.00 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 1ujd n GLY 31 N 4.39 -1.43 2.63 0.66 0.00 -1.26 -4.00 105.19 106.18 1ujd n GLY 31 Ca -0.23 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.17 7.51 -4.42 0.99 4.77 -1.26 -4.68 117.00 116.74 1ujd n LEU 32 Ca -0.01 -4.87 -0.40 0.00 -0.03 0.00 0.00 56.01 50.70 1ujd n LEU 32 Cb 0.61 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.26 1ujd n LEU 32 CO 0.01 1.84 -0.12 0.61 -1.33 0.00 0.00 177.39 178.40 1ujd n GLY 33 N 1.90 -0.42 3.02 -0.72 0.00 -1.26 -3.62 105.19 104.10 1ujd n GLY 33 Ca 0.53 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 1ujd n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ujd s ILE 34 N -3.23 0.87 -0.37 -0.61 2.07 -1.26 -3.76 121.20 114.91 1ujd s ILE 34 Ca 0.80 -0.42 -0.07 0.00 -1.41 0.00 0.00 60.65 59.55 1ujd s ILE 34 Cb -0.46 -0.76 0.06 0.00 0.13 0.00 0.00 42.46 41.43 1ujd s ILE 34 CO 0.98 0.26 0.15 -0.13 -1.91 0.00 0.00 174.94 174.29 1ujd s ARG 35 N 0.10 2.55 -0.15 3.50 1.81 -1.23 -4.91 118.95 120.61 1ujd s ARG 35 Ca -0.02 -1.32 0.01 0.00 -1.72 0.00 0.00 55.73 52.68 1ujd s ARG 35 Cb -0.08 -3.55 0.02 0.00 -0.45 0.00 0.00 34.95 30.89 1ujd s ARG 35 CO 0.00 -0.78 -0.18 0.42 -0.68 0.00 0.00 175.30 174.08 1ujd s ILE 36 N 1.38 1.87 -0.21 1.52 1.01 -1.26 0.04 121.20 125.54 1ujd s ILE 36 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 1ujd s ILE 36 Cb -0.21 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1ujd s ILE 36 CO 0.02 0.51 0.16 -0.69 0.00 0.00 0.00 174.94 174.93 1ujd s VAL 37 N 1.17 5.38 0.00 2.92 1.01 -0.45 -4.73 120.40 125.70 1ujd s VAL 37 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1ujd s VAL 37 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1ujd s VAL 37 CO -0.08 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1ujd n GLY 38 N 3.83 1.48 3.87 4.51 0.00 -1.26 -1.71 105.19 115.91 1ujd n GLY 38 Ca -0.15 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 5.00 -0.48 3.57 -0.02 0.00 0.07 -4.15 105.19 109.20 1ujd n GLY 39 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.56 2.67 0.08 1.61 2.47 -0.69 -4.82 119.74 114.50 1ujd s LYS 40 Ca 0.62 -0.61 -0.30 0.00 -1.56 0.00 0.00 55.97 54.12 1ujd s LYS 40 Cb -0.33 -2.54 -0.06 0.00 -1.46 0.00 0.00 37.83 33.44 1ujd s LYS 40 CO 0.77 0.64 1.12 -1.21 0.16 0.00 0.00 175.35 176.83 1ujd s GLU 41 N -0.96 4.51 0.01 4.03 2.02 -1.26 0.85 118.70 127.90 1ujd s GLU 41 Ca 0.13 1.67 -0.15 0.00 0.02 0.00 0.00 54.97 56.64 1ujd s GLU 41 Cb -0.11 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.71 1ujd s GLU 41 CO 0.03 -0.11 0.42 0.42 0.02 0.00 0.00 175.26 176.04 1ujd s ILE 42 N 0.68 5.00 0.01 -1.63 1.01 -0.87 -4.86 121.20 120.54 1ujd s ILE 42 Ca 0.54 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 1ujd s ILE 42 Cb -0.27 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 1ujd s ILE 42 CO 0.30 0.56 1.19 -2.16 0.00 0.00 0.00 174.94 174.84 1ujd s PRO 43 N -1.12 4.41 0.00 2.79 0.04 -1.26 -3.22 135.00 136.64 1ujd s PRO 43 Ca 0.25 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1ujd s PRO 43 Cb -0.17 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1ujd s PRO 43 CO 0.14 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1ujd n GLY 44 N 3.26 3.09 3.74 0.56 0.00 -1.26 -5.02 105.19 109.55 1ujd n GLY 44 Ca 0.10 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 2.39 -2.54 1.61 8.25 -1.20 -4.87 115.22 118.86 1ujd n HIS 45 Ca 0.00 0.45 -0.41 0.00 -0.26 0.00 0.00 57.72 57.51 1ujd n HIS 45 Cb 0.00 -2.40 -0.03 0.00 1.12 0.00 0.00 29.99 28.67 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 -0.61 6.35 -0.85 0.41 0.01 -1.26 -4.31 113.70 113.43 1ujd s SER 46 Ca 0.64 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1ujd s SER 46 Cb -0.46 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.21 1ujd s SER 46 CO 0.55 -1.65 0.63 0.61 0.41 0.00 0.00 173.24 173.79 1ujd n GLY 47 N 6.37 -1.26 2.94 3.44 0.00 -1.26 -4.99 105.19 110.43 1ujd n GLY 47 Ca 0.23 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 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 -4.81 0.22 0.37 1.61 2.56 -1.26 -5.11 118.70 112.28 1ujd s GLU 48 Ca 0.05 -0.38 0.08 0.00 0.00 0.00 0.00 54.97 54.72 1ujd s GLU 48 Cb -0.03 0.02 -0.03 0.00 2.00 0.00 0.00 34.13 36.10 1ujd s GLU 48 CO 0.87 -0.02 0.29 0.96 -0.56 0.00 0.00 175.26 176.80 1ujd s ILE 49 N -0.86 3.00 0.00 -3.70 -4.36 -1.26 -2.05 121.20 111.97 1ujd s ILE 49 Ca -0.09 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1ujd s ILE 49 Cb -0.06 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1ujd s ILE 49 CO -0.01 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1ujd n GLY 50 N -1.38 2.56 2.99 6.27 0.00 0.25 -2.42 105.19 113.46 1ujd n GLY 50 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 0.36 0.00 4.61 0.00 -1.11 -0.75 121.76 123.88 1ujd s ALA 51 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1ujd s ALA 51 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1ujd s ALA 51 CO 0.00 -0.02 0.35 1.52 0.00 0.00 0.00 175.76 177.60 1ujd s TYR 52 N -0.94 -0.21 -0.11 0.00 1.13 -0.69 0.16 117.35 116.69 1ujd s TYR 52 Ca -0.08 0.26 -0.29 0.00 -1.41 0.00 0.00 57.07 55.56 1ujd s TYR 52 Cb -0.07 0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1ujd s TYR 52 CO -0.00 -0.45 1.73 0.42 -2.51 0.00 0.00 175.55 174.74 1ujd s ILE 53 N -1.69 3.49 -0.09 -3.49 1.01 -0.35 -1.34 121.20 118.74 1ujd s ILE 53 Ca -0.11 0.58 -0.24 0.00 0.00 0.00 0.00 60.65 60.89 1ujd s ILE 53 Cb -0.03 -3.44 -0.20 0.00 0.01 0.00 0.00 42.46 38.80 1ujd s ILE 53 CO 0.02 -0.12 0.81 0.00 0.00 0.00 0.00 174.94 175.65 1ujd h ALA 54 N 10.54 -0.05 -2.10 9.38 0.00 -0.74 -1.10 119.26 135.18 1ujd h ALA 54 Ca -0.39 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.20 1ujd h ALA 54 Cb 1.18 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1ujd h ALA 54 CO 0.97 -0.12 -0.10 0.21 0.00 0.00 0.00 179.25 180.21 1ujd s LYS 55 N -2.82 0.60 -0.73 0.00 2.47 -1.20 -4.60 119.74 113.45 1ujd s LYS 55 Ca -0.15 1.26 -0.26 0.00 -1.56 0.00 0.00 55.97 55.26 1ujd s LYS 55 Cb -0.01 0.43 0.00 0.00 -1.46 0.00 0.00 37.83 36.79 1ujd s LYS 55 CO 0.57 -0.18 1.61 0.42 0.16 0.00 0.00 175.35 177.93 1ujd s ILE 56 N 2.20 3.56 0.64 5.43 1.01 -1.26 -3.47 121.20 129.30 1ujd s ILE 56 Ca -0.08 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 1ujd s ILE 56 Cb -0.09 -4.42 -0.15 0.00 0.01 0.00 0.00 42.46 37.81 1ujd s ILE 56 CO -0.18 -1.37 -0.27 0.18 0.00 0.00 0.00 174.94 173.30 1ujd n LEU 57 N 11.25 -4.06 -4.80 2.97 4.32 -1.25 -4.78 117.00 120.66 1ujd n LEU 57 Ca 0.17 0.54 -0.34 0.00 -0.02 0.00 0.00 56.01 56.36 1ujd n LEU 57 Cb 0.50 -0.84 -0.03 0.00 -1.62 0.00 0.00 43.42 41.43 1ujd n LEU 57 CO 0.69 -5.03 0.72 -2.16 -1.22 0.00 0.00 177.39 170.39 1ujd s PRO 58 N -1.33 3.76 -0.08 3.23 0.04 -1.26 -3.37 135.00 135.99 1ujd s PRO 58 Ca 0.53 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1ujd s PRO 58 Cb -0.41 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1ujd s PRO 58 CO 0.70 -0.46 0.03 0.41 0.04 0.00 0.00 177.00 177.71 1ujd n GLY 59 N -0.33 -0.46 3.99 0.56 0.00 -1.26 -4.85 105.19 102.84 1ujd n GLY 59 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1ujd n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ujd s GLY 60 N -1.90 1.76 0.40 -0.02 0.00 -1.22 -4.94 107.32 101.41 1ujd s GLY 60 Ca 0.04 -1.73 0.20 0.00 0.00 0.00 0.00 44.72 43.23 1ujd s GLY 60 CO 0.05 -1.07 1.79 1.76 0.00 0.00 0.00 173.10 175.63 1ujd h SER 61 N -0.83 0.00 0.03 1.64 0.02 -1.71 -2.11 113.55 110.58 1ujd h SER 61 Ca -0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1ujd h SER 61 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ujd h SER 61 CO 0.37 0.33 -0.01 0.00 -1.14 0.00 0.00 176.83 176.37 1ujd h ALA 62 N 1.67 -0.04 -0.00 3.77 0.00 -1.71 -3.22 119.26 119.74 1ujd h ALA 62 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ujd h ALA 62 Cb 0.79 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ujd h ALA 62 CO 0.04 -0.07 0.10 1.49 0.00 0.00 0.00 179.25 180.81 1ujd h GLU 63 N -0.94 0.00 0.80 0.00 4.81 -1.72 -2.30 114.58 115.24 1ujd h GLU 63 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1ujd h GLU 63 Cb 0.68 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.07 1ujd h GLU 63 CO 0.01 0.00 -0.39 1.96 -0.73 0.00 0.00 179.01 179.86 1ujd h GLN 64 N 0.00 -1.04 -0.97 1.92 4.20 -1.38 -3.01 115.11 114.83 1ujd h GLN 64 Ca 0.00 0.07 0.18 0.00 0.06 0.00 0.00 58.65 58.97 1ujd h GLN 64 Cb 0.19 0.24 -0.18 0.00 0.30 0.00 0.00 27.48 28.03 1ujd h GLN 64 CO -0.00 -0.68 -0.27 0.25 -0.67 0.00 0.00 178.83 177.46 1ujd n THR 65 N -5.53 -0.43 0.00 -0.54 -2.24 -0.86 -4.77 114.28 99.91 1ujd n THR 65 Ca -0.14 2.23 0.00 0.00 -2.27 0.00 0.00 64.05 63.86 1ujd n THR 65 Cb 0.43 -3.05 0.00 0.00 -2.10 0.00 0.00 70.33 65.61 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 -1.58 2.65 0.21 3.38 0.00 -1.14 -4.76 105.19 103.96 1ujd n GLY 66 Ca 0.14 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.73 -6.62 1.61 1.57 -1.87 -3.45 116.57 108.54 1ujd h LYS 67 Ca 0.00 -0.67 -0.58 0.00 -1.87 0.00 0.00 60.65 57.53 1ujd h LYS 67 Cb 0.00 0.16 0.11 0.00 0.08 0.00 0.00 32.23 32.58 1ujd h LYS 67 CO 0.00 1.26 0.35 1.28 -0.57 0.00 0.00 179.45 181.77 1ujd n LEU 68 N -3.90 2.78 -3.85 2.94 7.99 -1.26 -4.99 117.00 116.71 1ujd n LEU 68 Ca -0.08 1.19 -0.16 0.00 -0.01 0.00 0.00 56.01 56.95 1ujd n LEU 68 Cb 0.80 -1.40 -0.16 0.00 -0.11 0.00 0.00 43.42 42.55 1ujd n LEU 68 CO 0.54 -0.88 -0.38 -0.04 -1.51 0.00 0.00 177.39 175.12 1ujd s MET 69 N -1.69 0.27 0.56 3.23 -1.94 -1.26 -4.97 119.30 113.51 1ujd s MET 69 Ca 0.57 0.02 -0.19 0.00 -1.71 0.00 0.00 55.69 54.38 1ujd s MET 69 Cb -0.63 -0.39 -0.07 0.00 2.01 0.00 0.00 34.83 35.75 1ujd s MET 69 CO 0.61 -0.07 0.88 0.39 -0.01 0.00 0.00 175.02 176.82 1ujd n GLU 70 N 3.77 0.91 -0.71 2.03 4.71 -1.26 -2.27 120.64 127.81 1ujd n GLU 70 Ca -0.22 0.35 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1ujd n GLU 70 Cb 0.53 -2.05 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 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 1.37 0.73 3.63 0.62 0.00 -0.42 -5.01 105.19 106.10 1ujd n GLY 71 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.29 4.04 0.00 1.61 -1.94 -0.96 -2.74 119.30 119.03 1ujd s MET 72 Ca 0.00 0.78 -0.30 0.00 -1.71 0.00 0.00 55.69 54.46 1ujd s MET 72 Cb 0.00 -3.71 -0.06 0.00 2.01 0.00 0.00 34.83 33.07 1ujd s MET 72 CO 0.00 -0.69 1.55 -1.14 -0.01 0.00 0.00 175.02 174.73 1ujd s GLN 73 N 3.08 4.22 -0.46 2.03 0.74 -1.26 -1.21 119.66 126.80 1ujd s GLN 73 Ca 0.36 2.14 -0.24 0.00 0.05 0.00 0.00 55.36 57.68 1ujd s GLN 73 Cb -0.14 -3.70 0.03 0.00 1.10 0.00 0.00 33.01 30.30 1ujd s GLN 73 CO 0.12 -0.71 0.83 0.08 -0.55 0.00 0.00 175.29 175.06 1ujd s VAL 74 N 2.96 4.59 -0.05 1.34 1.01 0.43 -2.96 120.40 127.73 1ujd s VAL 74 Ca 0.70 0.47 -0.21 0.00 0.00 0.00 0.00 61.98 62.94 1ujd s VAL 74 Cb -0.35 -4.37 -0.15 0.00 0.00 0.00 0.00 36.38 31.51 1ujd s VAL 74 CO 0.29 -0.78 0.89 -0.07 0.00 0.00 0.00 175.10 175.43 1ujd h LEU 75 N 10.30 -0.21 -8.15 3.92 3.38 0.10 -3.35 115.31 121.30 1ujd h LEU 75 Ca -0.25 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.28 1ujd h LEU 75 Cb 1.08 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1ujd h LEU 75 CO 0.99 0.33 -0.62 -1.61 0.09 0.00 0.00 178.44 177.61 1ujd s GLU 76 N -3.50 0.64 -0.26 1.13 2.02 -1.13 -1.31 118.70 116.29 1ujd s GLU 76 Ca -0.12 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 53.70 1ujd s GLU 76 Cb 0.01 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.55 1ujd s GLU 76 CO 0.47 -0.14 0.08 -0.46 0.02 0.00 0.00 175.26 175.23 1ujd s TRP 77 N -3.80 1.19 -1.25 1.61 -0.11 0.12 -0.74 118.94 115.97 1ujd s TRP 77 Ca 0.06 -1.23 0.00 0.00 1.22 0.00 0.00 56.10 56.15 1ujd s TRP 77 Cb 0.07 -1.29 0.00 0.00 -1.50 0.00 0.00 33.47 30.74 1ujd s TRP 77 CO -0.10 -0.76 0.00 0.09 -4.62 0.00 0.00 176.95 171.56 1ujd n ASN 78 N 5.00 -4.42 0.00 5.86 3.02 0.20 -2.87 115.26 122.05 1ujd n ASN 78 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1ujd n ASN 78 Cb 0.44 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 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 -1.02 2.86 3.68 7.41 0.00 -1.26 -4.98 105.19 111.87 1ujd n GLY 79 Ca -0.17 -0.72 -0.47 0.00 0.00 0.00 0.00 46.02 44.66 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 0.63 -2.52 -0.61 -0.00 -1.14 -4.86 119.36 110.87 1ujd n ILE 80 Ca 0.00 -0.12 -0.34 0.00 -0.00 0.00 0.00 62.75 62.29 1ujd n ILE 80 Cb 0.00 -1.99 -0.03 0.00 -0.00 0.00 0.00 39.64 37.61 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 4.23 3.78 -0.33 0.38 0.04 -1.26 0.16 135.00 141.99 1ujd s PRO 81 Ca 0.92 1.35 0.07 0.00 0.04 0.00 0.00 61.00 63.38 1ujd s PRO 81 Cb -0.63 -2.09 0.48 0.00 0.04 0.00 0.00 34.50 32.30 1ujd s PRO 81 CO 0.49 -0.45 1.43 1.28 0.04 0.00 0.00 177.00 179.80 1ujd n LEU 82 N -1.02 4.65 -4.48 -3.56 4.77 -0.43 -4.87 117.00 112.06 1ujd n LEU 82 Ca 0.09 -4.14 -0.35 0.00 -0.03 0.00 0.00 56.01 51.59 1ujd n LEU 82 Cb 0.53 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1ujd n LEU 82 CO 0.40 1.55 -0.32 -0.89 -1.33 0.00 0.00 177.39 176.80 1ujd s THR 83 N -3.82 4.06 -0.23 -5.08 2.01 -1.26 -2.74 115.64 108.58 1ujd s THR 83 Ca 0.48 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1ujd s THR 83 Cb 0.42 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1ujd s THR 83 CO 0.00 0.44 0.20 -0.24 -0.69 0.00 0.00 174.62 174.33 1ujd n SER 84 N 4.05 -2.57 0.00 3.53 2.88 -1.02 -4.98 113.62 115.51 1ujd n SER 84 Ca -0.17 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1ujd n SER 84 Cb 0.52 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 -1.35 2.61 -4.14 -1.46 4.76 -1.26 -5.08 118.16 112.25 1ujd n LYS 85 Ca -0.01 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.29 1ujd n LYS 85 Cb 0.52 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.59 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 0.74 0.80 0.24 -0.18 -4.23 -1.26 -4.10 115.64 107.65 1ujd s THR 86 Ca 0.00 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 58.94 1ujd s THR 86 Cb 0.00 -1.09 0.31 0.00 1.34 0.00 0.00 72.50 73.06 1ujd s THR 86 CO 0.00 -0.48 1.56 0.22 -0.54 0.00 0.00 174.62 175.38 1ujd h TYR 87 N 3.93 -0.83 0.38 3.99 5.03 -1.91 0.35 116.97 127.91 1ujd h TYR 87 Ca -0.37 0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.02 1ujd h TYR 87 Cb 1.19 0.51 0.00 0.00 1.55 0.00 0.00 36.73 39.98 1ujd h TYR 87 CO 0.63 -0.41 -0.19 0.93 -1.32 0.00 0.00 178.16 177.81 1ujd h GLU 88 N -0.01 -0.50 -0.90 1.82 5.08 -1.96 -1.65 114.58 116.46 1ujd h GLU 88 Ca 0.39 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.86 1ujd h GLU 88 Cb 0.64 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.89 1ujd h GLU 88 CO -0.97 -0.33 -0.53 0.39 -1.00 0.00 0.00 179.01 176.57 1ujd n GLU 89 N -3.42 -0.40 -0.15 2.33 -0.58 -0.63 -0.92 120.64 116.88 1ujd n GLU 89 Ca -0.06 1.45 -0.07 0.00 -0.42 0.00 0.00 57.16 58.06 1ujd n GLU 89 Cb 0.20 -2.14 -0.06 0.00 -0.57 0.00 0.00 31.44 28.88 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ujd h VAL 90 N 0.00 0.00 -0.51 2.62 2.07 -0.34 -1.16 116.25 118.93 1ujd h VAL 90 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1ujd h VAL 90 Cb 0.37 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1ujd h VAL 90 CO -0.84 0.00 -0.30 1.67 0.02 0.00 0.00 177.57 178.12 1ujd n GLN 91 N -4.25 -0.22 -0.38 1.57 7.27 -0.09 0.30 117.38 121.57 1ujd n GLN 91 Ca -0.01 1.14 -0.02 0.00 0.07 0.00 0.00 57.00 58.18 1ujd n GLN 91 Cb 0.17 -1.68 0.03 0.00 2.41 0.00 0.00 30.24 31.17 1ujd n GLN 91 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1ujd h SER 92 N 0.00 -1.46 -0.93 1.69 0.02 -0.14 2.81 113.55 115.54 1ujd h SER 92 Ca 0.08 0.31 0.18 0.00 -0.84 0.00 0.00 61.79 61.52 1ujd h SER 92 Cb 0.21 0.76 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 1ujd h SER 92 CO -0.48 -0.29 0.51 0.40 -1.14 0.00 0.00 176.83 175.84 1ujd h ILE 93 N -0.01 0.68 0.12 3.27 2.04 0.98 -2.76 117.51 121.83 1ujd h ILE 93 Ca 0.33 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1ujd h ILE 93 Cb 0.59 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ujd h ILE 93 CO -0.97 0.12 -0.06 0.40 0.00 0.00 0.00 178.15 177.64 1ujd h ILE 94 N 0.65 0.00 -3.20 -0.67 2.04 0.44 -3.46 117.51 113.32 1ujd h ILE 94 Ca 0.53 -0.62 -0.51 0.00 1.00 0.00 0.00 64.86 65.26 1ujd h ILE 94 Cb 0.82 0.00 0.22 0.00 -0.74 0.00 0.00 36.82 37.12 1ujd h ILE 94 CO -0.40 0.00 -0.64 -0.24 0.00 0.00 0.00 178.15 176.88 1ujd n SER 95 N -4.14 -2.04 -2.23 1.72 2.88 0.81 -4.32 113.62 106.31 1ujd n SER 95 Ca -0.02 0.22 -0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ujd n SER 95 Cb 0.06 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 1ujd n SER 95 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ujd n GLN 96 N -1.98 -0.67 -2.68 -1.46 7.27 -1.26 -4.76 117.38 111.84 1ujd n GLN 96 Ca 0.05 1.00 -0.04 0.00 0.07 0.00 0.00 57.00 58.08 1ujd n GLN 96 Cb 0.55 -3.51 0.04 0.00 2.41 0.00 0.00 30.24 29.74 1ujd n GLN 96 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1ujd n GLN 97 N -1.27 0.20 -2.95 3.69 -0.06 -1.26 -5.06 117.38 110.67 1ujd n GLN 97 Ca 0.01 -0.97 -0.44 0.00 -2.00 0.00 0.00 57.00 53.60 1ujd n GLN 97 Cb 0.47 -0.25 0.00 0.00 -4.06 0.00 0.00 30.24 26.41 1ujd n GLN 97 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ujd n SER 98 N 2.29 5.75 0.00 1.69 2.88 -1.26 -4.34 113.62 120.64 1ujd n SER 98 Ca 0.10 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1ujd n SER 98 Cb 0.65 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 99 N 2.36 0.00 0.96 0.46 0.00 -1.26 -4.86 105.19 102.86 1ujd n GLY 99 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.55 -3.80 1.61 2.13 -1.26 -5.06 120.64 111.71 1ujd n GLU 100 Ca 0.00 1.97 -0.10 0.00 0.66 0.00 0.00 57.16 59.69 1ujd n GLU 100 Cb 0.00 -2.43 -0.06 0.00 0.27 0.00 0.00 31.44 29.22 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 -4.66 -0.48 -0.13 4.31 0.00 -1.08 -4.97 121.76 114.74 1ujd s ALA 101 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1ujd s ALA 101 Cb 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1ujd s ALA 101 CO 0.00 -0.63 0.01 -1.21 0.00 0.00 0.00 175.76 173.93 1ujd s GLU 102 N -3.87 3.43 -0.10 0.00 2.02 -1.26 -0.26 118.70 118.65 1ujd s GLU 102 Ca 0.08 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.68 1ujd s GLU 102 Cb 0.03 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1ujd s GLU 102 CO -0.07 0.47 -0.22 -1.50 0.02 0.00 0.00 175.26 173.95 1ujd s ILE 103 N -0.23 1.95 -0.43 -1.63 2.07 -0.40 0.59 121.20 123.13 1ujd s ILE 103 Ca 0.06 -0.95 -0.08 0.00 -1.41 0.00 0.00 60.65 58.27 1ujd s ILE 103 Cb -0.12 -1.70 0.09 0.00 0.13 0.00 0.00 42.46 40.86 1ujd s ILE 103 CO 0.02 0.53 0.26 0.00 -1.91 0.00 0.00 174.94 173.85 1ujd s VAL 105 N 1.36 3.18 -0.09 0.00 -7.23 -1.00 0.76 120.40 117.38 1ujd s VAL 105 Ca 0.04 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 1ujd s VAL 105 Cb -0.24 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 1ujd s VAL 105 CO 0.00 -0.38 0.32 -0.60 -0.31 0.00 0.00 175.10 174.13 1ujd s ARG 106 N -3.62 3.96 0.00 4.82 3.52 -1.16 -2.25 118.95 124.23 1ujd s ARG 106 Ca 0.31 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 1ujd s ARG 106 Cb -0.06 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1ujd s ARG 106 CO 0.19 0.52 0.00 1.28 -0.81 0.00 0.00 175.30 176.48 1ujd n LEU 107 N 2.57 0.00 -4.06 -0.88 4.77 0.88 -4.71 117.00 115.57 1ujd n LEU 107 Ca -0.14 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.61 1ujd n LEU 107 Cb 0.53 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.75 1ujd n LEU 107 CO 0.37 0.00 -0.40 0.47 -1.33 0.00 0.00 177.39 176.50 1ujd n ASP 108 N 0.00 -2.77 -1.51 -1.43 9.92 -1.25 -4.75 116.55 114.76 1ujd n ASP 108 Ca 0.00 -0.25 0.11 0.00 -0.53 0.00 0.00 54.79 54.13 1ujd n ASP 108 Cb 0.00 -0.76 -0.06 0.00 -0.64 0.00 0.00 41.12 39.66 1ujd n ASP 108 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ujd n LEU 109 N -0.47 -1.28 -3.74 0.64 0.00 -1.26 -4.99 117.00 105.90 1ujd n LEU 109 Ca 0.03 2.60 -0.10 0.00 0.00 0.00 0.00 56.01 58.54 1ujd n LEU 109 Cb 0.45 -3.14 -0.04 0.00 0.00 0.00 0.00 43.42 40.68 1ujd n LEU 109 CO 0.32 -1.68 0.22 0.20 0.00 0.00 0.00 177.39 176.45 1ujd s ASN 110 N -6.64 -0.22 0.12 1.96 0.01 -1.26 -4.94 114.94 103.96 1ujd s ASN 110 Ca 0.00 -0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 51.51 1ujd s ASN 110 Cb 0.00 0.54 -0.07 0.00 0.41 0.00 0.00 41.25 42.14 1ujd s ASN 110 CO 0.00 -1.00 0.53 -0.04 -1.51 0.00 0.00 177.10 175.08 1ujd s MET 111 N -3.87 3.98 0.11 -0.60 -1.94 -1.11 -4.75 119.30 111.12 1ujd s MET 111 Ca 0.09 0.48 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 1ujd s MET 111 Cb 0.00 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.85 1ujd s MET 111 CO -0.04 0.52 0.00 0.45 -0.01 0.00 0.00 175.02 175.94 1ujd n SER 112 N 0.99 -0.97 0.00 3.03 2.88 -1.26 -4.95 113.62 113.33 1ujd n SER 112 Ca -0.07 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ujd n SER 112 Cb 0.52 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 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 -1.44 0.19 0.13 0.46 0.00 -1.26 -4.76 105.19 98.51 1ujd n GLY 113 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1ujd n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujd h PRO 114 N 0.00 -0.19 -5.58 1.61 0.13 -2.02 -3.43 132.00 122.52 1ujd h PRO 114 Ca 0.00 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.56 1ujd h PRO 114 Cb 0.00 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.13 1ujd h PRO 114 CO 0.00 0.19 1.57 0.43 -0.23 0.00 0.00 178.00 179.96 1ujd n SER 115 N -4.89 1.38 -3.66 1.44 7.64 -1.26 -4.85 113.62 109.41 1ujd n SER 115 Ca -0.06 0.17 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 1ujd n SER 115 Cb 0.24 -1.17 -0.13 0.00 -1.01 0.00 0.00 64.21 62.13 1ujd n SER 115 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujd s SER 116 N 8.78 3.55 0.00 6.43 0.15 -1.26 -5.01 113.70 126.34 1ujd s SER 116 Ca 1.17 -2.44 0.27 0.00 0.70 0.00 0.00 55.95 55.65 1ujd s SER 116 Cb -0.93 -0.89 0.74 0.00 -1.71 0.00 0.00 66.02 63.24 1ujd s SER 116 CO 0.46 -0.29 1.57 0.61 1.20 0.00 0.00 173.24 176.79