#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 0.00 1.61 2.88 -1.26 -5.07 113.62 111.78 1ujd n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ujd n SER 2 Cb 0.00 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1ujd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujd n SER 3 N -2.13 0.00 -3.03 -3.46 7.64 -1.26 -3.58 113.62 107.81 1ujd n SER 3 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ujd n SER 3 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ujd n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujd s GLY 4 N 0.00 -1.34 0.15 0.23 0.00 -1.26 -5.03 107.32 100.08 1ujd s GLY 4 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1ujd s GLY 4 CO 0.00 3.79 0.00 -1.14 0.00 0.00 0.00 173.10 175.75 1ujd n SER 5 N 3.91 -1.23 -4.56 1.64 3.41 -1.23 -5.07 113.62 110.49 1ujd n SER 5 Ca 0.12 0.29 -0.48 0.00 -0.26 0.00 0.00 58.87 58.54 1ujd n SER 5 Cb 0.58 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.91 1ujd n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujd n SER 6 N -2.83 1.06 -3.67 4.04 2.88 -1.26 -2.75 113.62 111.08 1ujd n SER 6 Ca 0.00 1.15 -0.32 0.00 -1.33 0.00 0.00 58.87 58.37 1ujd n SER 6 Cb 0.00 -1.20 0.02 0.00 -0.75 0.00 0.00 64.21 62.27 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 1.77 -0.63 3.05 0.46 0.00 -1.26 -4.98 105.19 103.61 1ujd n GLY 7 Ca 0.14 0.87 -0.12 0.00 0.00 0.00 0.00 46.02 46.90 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 -2.29 -0.33 0.93 1.61 2.46 -1.11 -5.15 115.29 111.41 1ujd s HIS 8 Ca 0.18 0.79 -0.11 0.00 0.47 0.00 0.00 55.06 56.39 1ujd s HIS 8 Cb -0.02 0.04 0.12 0.00 -0.13 0.00 0.00 32.58 32.59 1ujd s HIS 8 CO 0.89 -0.23 0.95 0.66 -2.47 0.00 0.00 174.74 174.53 1ujd n TYR 9 N 4.25 0.23 0.31 3.88 4.01 -1.26 -4.86 117.16 123.72 1ujd n TYR 9 Ca -0.25 0.35 0.17 0.00 -0.16 0.00 0.00 57.90 58.01 1ujd n TYR 9 Cb 0.53 -1.94 0.71 0.00 -0.31 0.00 0.00 39.34 38.33 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 -1.81 0.00 -2.07 -0.72 3.07 -2.01 -3.43 117.51 110.53 1ujd h ILE 10 Ca -0.43 -0.36 -0.50 0.00 1.55 0.00 0.00 64.86 65.12 1ujd h ILE 10 Cb 1.27 1.28 -0.05 0.00 -0.27 0.00 0.00 36.82 39.05 1ujd h ILE 10 CO 0.39 0.00 -0.50 0.72 -1.05 0.00 0.00 178.15 177.71 1ujd s PHE 11 N -3.65 3.02 -0.11 0.16 -0.12 -1.26 -5.08 117.98 110.95 1ujd s PHE 11 Ca 0.01 -0.18 -0.30 0.00 -0.05 0.00 0.00 56.93 56.41 1ujd s PHE 11 Cb 0.09 -1.53 -0.02 0.00 -0.63 0.00 0.00 43.02 40.93 1ujd s PHE 11 CO 0.48 0.41 1.25 -1.25 -0.05 0.00 0.00 175.22 176.05 1ujd s PRO 12 N -3.89 4.28 0.26 1.99 0.04 -1.26 -5.00 135.00 131.42 1ujd s PRO 12 Ca 0.36 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1ujd s PRO 12 Cb -0.07 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1ujd s PRO 12 CO 0.25 -0.59 0.22 -3.38 0.04 0.00 0.00 177.00 173.54 1ujd s HIS 13 N 2.92 1.35 -0.24 0.56 -3.43 -1.26 -0.60 115.29 114.58 1ujd s HIS 13 Ca 0.56 -1.46 -0.15 0.00 -0.80 0.00 0.00 55.06 53.21 1ujd s HIS 13 Cb -0.24 -0.56 0.07 0.00 -1.43 0.00 0.00 32.58 30.43 1ujd s HIS 13 CO 0.19 -0.78 0.61 0.00 -2.00 0.00 0.00 174.74 172.76 1ujd s ALA 14 N -3.81 -1.61 -0.91 -1.38 0.00 -1.22 -4.86 121.76 107.97 1ujd s ALA 14 Ca 0.38 2.09 -0.15 0.00 0.00 0.00 0.00 51.96 54.28 1ujd s ALA 14 Cb 0.04 -1.24 0.19 0.00 0.00 0.00 0.00 23.12 22.11 1ujd s ALA 14 CO 0.19 -0.34 0.97 1.03 0.00 0.00 0.00 175.76 177.61 1ujd s ARG 15 N 1.37 3.68 0.43 0.00 0.52 -1.26 -3.41 118.95 120.27 1ujd s ARG 15 Ca -0.08 -2.26 -0.01 0.00 -0.52 0.00 0.00 55.73 52.86 1ujd s ARG 15 Cb -0.06 -4.66 -0.02 0.00 0.52 0.00 0.00 34.95 30.73 1ujd s ARG 15 CO -0.15 -1.50 0.66 0.42 0.02 0.00 0.00 175.30 174.75 1ujd s ILE 16 N 1.11 4.48 0.53 1.52 1.09 -0.76 -4.89 121.20 124.28 1ujd s ILE 16 Ca 0.26 -0.36 0.04 0.00 -1.10 0.00 0.00 60.65 59.49 1ujd s ILE 16 Cb -0.08 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.68 1ujd s ILE 16 CO -0.09 -0.49 0.29 -1.59 -0.10 0.00 0.00 174.94 172.97 1ujd s LYS 17 N -4.52 2.24 -0.07 2.79 -2.85 -1.26 -0.08 119.74 115.99 1ujd s LYS 17 Ca 0.46 -2.10 -0.02 0.00 -1.00 0.00 0.00 55.97 53.30 1ujd s LYS 17 Cb -0.10 -1.95 0.03 0.00 -2.06 0.00 0.00 37.83 33.75 1ujd s LYS 17 CO 0.39 -0.52 0.05 0.42 0.10 0.00 0.00 175.35 175.79 1ujd s ILE 18 N -2.79 0.00 0.20 3.79 -1.09 0.61 -4.83 121.20 117.09 1ujd s ILE 18 Ca 0.27 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 1ujd s ILE 18 Cb -0.01 -0.30 -0.04 0.00 -1.58 0.00 0.00 42.46 40.53 1ujd s ILE 18 CO 0.17 0.13 0.37 0.42 -1.23 0.00 0.00 174.94 174.80 1ujd s THR 19 N 2.12 5.23 0.59 2.92 -4.23 -1.26 -2.23 115.64 118.77 1ujd s THR 19 Ca 0.04 -0.44 -0.20 0.00 -1.18 0.00 0.00 61.69 59.92 1ujd s THR 19 Cb -0.13 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1ujd s THR 19 CO -0.04 -0.17 1.29 -1.14 -0.54 0.00 0.00 174.62 174.02 1ujd n ARG 20 N -0.68 1.41 -0.64 3.99 0.63 -1.26 -4.72 116.66 115.38 1ujd n ARG 20 Ca -0.05 0.53 -0.30 0.00 -0.92 0.00 0.00 57.85 57.11 1ujd n ARG 20 Cb 0.54 -2.51 0.20 0.00 0.45 0.00 0.00 32.46 31.14 1ujd n ARG 20 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ujd s ASP 21 N -1.10 2.13 -0.94 6.15 -1.08 -1.26 -4.95 116.67 115.62 1ujd s ASP 21 Ca 0.76 1.91 -0.03 0.00 -0.52 0.00 0.00 52.55 54.67 1ujd s ASP 21 Cb -0.41 -2.46 0.24 0.00 -1.46 0.00 0.00 42.92 38.83 1ujd s ASP 21 CO 0.46 -3.55 0.88 -1.20 0.52 0.00 0.00 175.17 172.28 1ujd n SER 22 N -4.51 4.54 -3.58 -0.34 7.64 -1.26 -4.98 113.62 111.12 1ujd n SER 22 Ca 0.08 -3.14 -0.09 0.00 1.01 0.00 0.00 58.87 56.73 1ujd n SER 22 Cb 0.53 -1.11 -0.05 0.00 -1.01 0.00 0.00 64.21 62.58 1ujd n SER 22 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ujd s LYS 23 N -1.48 0.53 -0.27 1.43 2.20 -1.26 -5.10 119.74 115.80 1ujd s LYS 23 Ca 0.29 0.07 -0.25 0.00 -0.36 0.00 0.00 55.97 55.72 1ujd s LYS 23 Cb -0.06 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.58 1ujd s LYS 23 CO -0.11 -0.18 0.73 0.16 -0.36 0.00 0.00 175.35 175.60 1ujd s ASP 24 N -1.28 -0.74 -0.00 1.43 -4.77 -1.25 -4.11 116.67 105.95 1ujd s ASP 24 Ca 0.01 1.42 -0.00 0.00 -3.30 0.00 0.00 52.55 50.68 1ujd s ASP 24 Cb -0.01 1.44 -0.00 0.00 -1.09 0.00 0.00 42.92 43.27 1ujd s ASP 24 CO -0.01 -0.25 -0.00 1.57 0.70 0.00 0.00 175.17 177.19 1ujd n HIS 25 N 2.67 0.00 0.00 2.11 -0.00 -1.26 -4.96 115.22 113.78 1ujd n HIS 25 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 1ujd n HIS 25 Cb 0.55 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1ujd n HIS 25 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ujd n THR 26 N -2.51 0.00 -3.86 3.57 -2.24 -1.26 -5.00 114.28 102.98 1ujd n THR 26 Ca -0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ujd n THR 26 Cb 0.00 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.20 1ujd n THR 26 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ujd s VAL 27 N -1.99 1.70 0.00 2.28 -7.23 -1.26 -4.93 120.40 108.97 1ujd s VAL 27 Ca 0.00 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 1ujd s VAL 27 Cb 0.00 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1ujd s VAL 27 CO 0.00 -0.71 0.00 -1.20 -0.31 0.00 0.00 175.10 172.88 1ujd n SER 28 N 4.16 0.00 0.00 4.85 7.64 -1.26 -4.87 113.62 124.14 1ujd n SER 28 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1ujd n SER 28 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.62 3.34 0.23 0.00 -1.26 -3.93 105.19 104.19 1ujd n GLY 29 Ca 0.00 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1ujd n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ujd n ASN 30 N 0.00 -2.62 -2.82 1.61 2.85 -1.26 -4.98 115.26 108.04 1ujd n ASN 30 Ca 0.00 0.46 -0.13 0.00 -0.11 0.00 0.00 54.58 54.79 1ujd n ASN 30 Cb 0.00 -1.09 -0.03 0.00 1.24 0.00 0.00 39.78 39.90 1ujd n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujd n GLY 31 N 2.06 3.75 3.55 8.20 0.00 -1.26 -4.76 105.19 116.73 1ujd n GLY 31 Ca 0.07 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 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 1.08 -4.01 0.99 4.32 -1.26 -4.59 117.00 113.53 1ujd n LEU 32 Ca -0.05 -1.27 -0.38 0.00 -0.02 0.00 0.00 56.01 54.28 1ujd n LEU 32 Cb 0.30 -1.41 -0.05 0.00 -1.62 0.00 0.00 43.42 40.64 1ujd n LEU 32 CO 0.16 -2.37 1.95 0.61 -1.22 0.00 0.00 177.39 176.52 1ujd n GLY 33 N 6.52 2.20 2.81 -0.72 0.00 -1.26 -4.82 105.19 109.91 1ujd n GLY 33 Ca 0.52 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 6.79 0.05 -0.36 -0.61 2.07 -1.26 -3.80 121.20 124.08 1ujd s ILE 34 Ca 0.60 0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.93 1ujd s ILE 34 Cb 0.09 -0.15 0.08 0.00 0.13 0.00 0.00 42.46 42.61 1ujd s ILE 34 CO 0.11 0.10 0.13 -0.13 -1.91 0.00 0.00 174.94 173.23 1ujd s ARG 35 N 0.88 2.25 -0.06 3.50 1.81 -1.19 -5.02 118.95 121.12 1ujd s ARG 35 Ca -0.08 -1.54 0.05 0.00 -1.72 0.00 0.00 55.73 52.44 1ujd s ARG 35 Cb -0.11 -3.45 -0.02 0.00 -0.45 0.00 0.00 34.95 30.92 1ujd s ARG 35 CO -0.02 -0.87 -0.20 0.42 -0.68 0.00 0.00 175.30 173.95 1ujd s ILE 36 N 1.23 2.49 0.00 1.52 1.01 -1.26 -1.80 121.20 124.39 1ujd s ILE 36 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1ujd s ILE 36 Cb -0.21 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1ujd s ILE 36 CO -0.02 0.57 0.00 1.33 0.00 0.00 0.00 174.94 176.83 1ujd n VAL 37 N 2.72 0.00 -3.63 2.92 0.24 -1.05 -4.78 118.33 114.76 1ujd n VAL 37 Ca -0.17 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.34 62.07 1ujd n VAL 37 Cb 0.52 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 32.32 1ujd n VAL 37 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ujd s GLY 38 N -1.57 -0.35 -0.12 7.63 0.00 -1.26 -3.89 107.32 107.75 1ujd s GLY 38 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.41 1ujd s GLY 38 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1ujd n GLY 39 N -0.35 0.22 3.73 0.20 0.00 -0.21 -0.69 105.19 108.09 1ujd n GLY 39 Ca -0.07 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.70 4.47 0.28 1.61 2.47 -0.42 -4.64 119.74 121.80 1ujd s LYS 40 Ca 0.00 1.02 -0.30 0.00 -1.56 0.00 0.00 55.97 55.13 1ujd s LYS 40 Cb 0.00 -3.40 -0.13 0.00 -1.46 0.00 0.00 37.83 32.84 1ujd s LYS 40 CO 0.00 0.18 1.24 -1.91 0.16 0.00 0.00 175.35 175.03 1ujd n GLU 41 N 3.23 1.79 -3.29 4.03 2.13 -1.26 -0.74 120.64 126.53 1ujd n GLU 41 Ca -0.02 0.63 -0.38 0.00 0.66 0.00 0.00 57.16 58.06 1ujd n GLU 41 Cb 0.51 -2.17 -0.06 0.00 0.27 0.00 0.00 31.44 29.98 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 -0.65 4.76 -1.22 6.31 1.01 -0.22 -4.80 121.20 126.39 1ujd s ILE 42 Ca 0.62 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 62.22 1ujd s ILE 42 Cb -0.66 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1ujd s ILE 42 CO 0.56 0.51 1.82 -2.16 0.00 0.00 0.00 174.94 175.67 1ujd s PRO 43 N -1.25 3.23 0.00 2.79 0.04 -1.26 -4.01 135.00 134.55 1ujd s PRO 43 Ca 0.30 -1.52 0.00 0.00 0.04 0.00 0.00 61.00 59.82 1ujd s PRO 43 Cb -0.19 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1ujd s PRO 43 CO 0.19 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 174.54 1ujd n GLY 44 N 5.70 0.22 2.65 0.56 0.00 -1.26 -5.04 105.19 108.03 1ujd n GLY 44 Ca 0.46 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.06 -2.13 -4.35 1.61 -0.00 -1.26 -4.97 115.22 104.07 1ujd n HIS 45 Ca 0.00 -1.71 -0.38 0.00 -0.00 0.00 0.00 57.72 55.62 1ujd n HIS 45 Cb 0.00 1.53 -0.05 0.00 -0.00 0.00 0.00 29.99 31.47 1ujd n HIS 45 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ujd n SER 46 N -0.83 -2.50 -3.00 0.26 7.64 -1.26 -1.56 113.62 112.36 1ujd n SER 46 Ca -0.09 -1.11 -0.02 0.00 1.01 0.00 0.00 58.87 58.66 1ujd n SER 46 Cb 0.83 -2.28 0.01 0.00 -1.01 0.00 0.00 64.21 61.76 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 -1.33 -1.17 3.14 0.23 0.00 -1.26 -5.04 105.19 99.76 1ujd n GLY 47 Ca 0.07 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.19 1.35 0.09 1.61 2.56 -0.60 -5.03 118.70 115.49 1ujd s GLU 48 Ca 0.06 -0.57 -0.22 0.00 0.00 0.00 0.00 54.97 54.25 1ujd s GLU 48 Cb -0.01 -1.28 -0.07 0.00 2.00 0.00 0.00 34.13 34.77 1ujd s GLU 48 CO 0.71 0.32 0.65 0.96 -0.56 0.00 0.00 175.26 177.34 1ujd s ILE 49 N -0.30 4.63 0.00 -3.70 -4.36 -1.26 -1.06 121.20 115.14 1ujd s ILE 49 Ca 0.05 1.41 0.00 0.00 -0.26 0.00 0.00 60.65 61.84 1ujd s ILE 49 Cb -0.07 -3.99 0.00 0.00 1.25 0.00 0.00 42.46 39.65 1ujd s ILE 49 CO -0.00 0.52 0.00 0.61 0.24 0.00 0.00 174.94 176.31 1ujd n GLY 50 N 1.79 4.10 3.25 6.27 0.00 0.08 -2.23 105.19 118.46 1ujd n GLY 50 Ca -0.08 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.74 1.99 -0.05 4.61 0.00 -1.26 -1.04 121.76 124.27 1ujd s ALA 51 Ca 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1ujd s ALA 51 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1ujd s ALA 51 CO 0.00 0.43 0.14 1.52 0.00 0.00 0.00 175.76 177.85 1ujd s TYR 52 N -0.32 -0.12 -0.34 0.00 1.13 -1.25 0.19 117.35 116.64 1ujd s TYR 52 Ca 0.02 0.30 -0.28 0.00 -1.41 0.00 0.00 57.07 55.71 1ujd s TYR 52 Cb -0.11 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.75 1ujd s TYR 52 CO 0.01 -0.10 2.04 0.42 -2.51 0.00 0.00 175.55 175.41 1ujd s ILE 53 N -0.13 3.23 0.10 -3.49 1.01 -0.20 -2.52 121.20 119.20 1ujd s ILE 53 Ca -0.02 0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.55 1ujd s ILE 53 Cb -0.02 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 1ujd s ILE 53 CO 0.00 -0.26 1.61 0.00 0.00 0.00 0.00 174.94 176.29 1ujd h ALA 54 N 14.75 -0.72 -2.14 9.38 0.00 -1.70 -2.99 119.26 135.84 1ujd h ALA 54 Ca -0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1ujd h ALA 54 Cb 1.21 0.52 -0.20 0.00 0.00 0.00 0.00 17.79 19.32 1ujd h ALA 54 CO 1.04 -0.95 0.06 0.21 0.00 0.00 0.00 179.25 179.62 1ujd s LYS 55 N -6.00 0.93 -0.34 0.00 2.47 -1.22 -4.62 119.74 110.96 1ujd s LYS 55 Ca -0.17 0.25 -0.12 0.00 -1.56 0.00 0.00 55.97 54.38 1ujd s LYS 55 Cb 0.06 0.43 -0.01 0.00 -1.46 0.00 0.00 37.83 36.86 1ujd s LYS 55 CO 0.63 -0.26 0.21 0.42 0.16 0.00 0.00 175.35 176.51 1ujd s ILE 56 N -0.99 4.98 0.48 5.43 1.01 -1.26 -3.17 121.20 127.67 1ujd s ILE 56 Ca -0.10 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 1ujd s ILE 56 Cb -0.02 -3.58 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 1ujd s ILE 56 CO 0.07 -0.01 0.16 0.18 0.00 0.00 0.00 174.94 175.34 1ujd n LEU 57 N 5.06 -2.06 -4.58 2.97 7.99 -1.25 -4.78 117.00 120.34 1ujd n LEU 57 Ca -0.13 0.75 -0.42 0.00 -0.01 0.00 0.00 56.01 56.20 1ujd n LEU 57 Cb 0.49 -0.96 -0.02 0.00 -0.11 0.00 0.00 43.42 42.82 1ujd n LEU 57 CO 0.36 -4.02 1.28 -2.16 -1.51 0.00 0.00 177.39 171.34 1ujd s PRO 58 N -1.29 3.36 -0.95 3.23 0.04 -1.26 -3.60 135.00 134.53 1ujd s PRO 58 Ca 0.61 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 1ujd s PRO 58 Cb -0.54 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 29.84 1ujd s PRO 58 CO 0.62 -1.85 0.82 0.41 0.04 0.00 0.00 177.00 177.04 1ujd n GLY 59 N 5.23 -0.79 0.00 0.56 0.00 -1.26 -5.04 105.19 103.89 1ujd n GLY 59 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.23 4.79 0.16 -0.02 0.00 -1.24 -4.93 105.19 102.72 1ujd n GLY 60 Ca -0.10 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 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 0.84 -0.31 1.61 0.02 -1.85 -0.82 113.55 113.04 1ujd h SER 61 Ca 0.00 -0.82 -0.06 0.00 -0.84 0.00 0.00 61.79 60.06 1ujd h SER 61 Cb 0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1ujd h SER 61 CO 0.00 1.63 -0.04 0.00 -1.14 0.00 0.00 176.83 177.28 1ujd h ALA 62 N 0.27 0.43 0.00 3.77 0.00 -1.88 -2.56 119.26 119.28 1ujd h ALA 62 Ca -0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1ujd h ALA 62 Cb 2.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1ujd h ALA 62 CO 0.25 0.23 -0.15 1.49 0.00 0.00 0.00 179.25 181.07 1ujd h GLU 63 N 0.37 0.00 -0.14 0.00 4.57 -1.81 -3.14 114.58 114.44 1ujd h GLU 63 Ca 0.08 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ujd h GLU 63 Cb 0.51 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1ujd h GLU 63 CO 0.02 0.15 0.08 1.96 -1.18 0.00 0.00 179.01 180.04 1ujd h GLN 64 N 0.00 0.19 -0.64 1.92 4.20 -0.73 -2.79 115.11 117.26 1ujd h GLN 64 Ca -0.00 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.82 1ujd h GLN 64 Cb 0.77 -0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.39 1ujd h GLN 64 CO 0.02 0.18 -0.11 1.79 -0.67 0.00 0.00 178.83 180.04 1ujd h THR 65 N 0.14 0.39 0.00 -0.54 1.35 -1.46 -3.46 112.91 109.33 1ujd h THR 65 Ca 0.05 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1ujd h THR 65 Cb 0.04 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1ujd h THR 65 CO -0.01 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ujd n GLY 66 N -1.42 3.05 0.45 5.82 0.00 -1.05 -4.84 105.19 107.21 1ujd n GLY 66 Ca 0.08 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.09 -6.05 1.61 1.57 -1.88 -3.43 116.57 107.30 1ujd h LYS 67 Ca 0.00 0.07 -0.75 0.00 -1.87 0.00 0.00 60.65 58.10 1ujd h LYS 67 Cb 0.00 0.25 0.06 0.00 0.08 0.00 0.00 32.23 32.62 1ujd h LYS 67 CO 0.00 -0.72 0.01 1.28 -0.57 0.00 0.00 179.45 179.45 1ujd n LEU 68 N -5.56 0.04 -4.13 2.94 7.99 -1.26 -4.95 117.00 112.07 1ujd n LEU 68 Ca -0.15 1.15 -0.09 0.00 -0.01 0.00 0.00 56.01 56.91 1ujd n LEU 68 Cb 0.45 -0.97 -0.10 0.00 -0.11 0.00 0.00 43.42 42.69 1ujd n LEU 68 CO 0.38 -1.97 -0.37 -0.04 -1.51 0.00 0.00 177.39 173.88 1ujd s MET 69 N -0.15 0.71 0.66 3.23 -1.94 -1.26 -4.82 119.30 115.74 1ujd s MET 69 Ca 0.85 -1.25 -0.14 0.00 -1.71 0.00 0.00 55.69 53.43 1ujd s MET 69 Cb -1.16 -0.01 0.00 0.00 2.01 0.00 0.00 34.83 35.67 1ujd s MET 69 CO 0.56 -0.06 1.09 -1.21 -0.01 0.00 0.00 175.02 175.39 1ujd s GLU 70 N -3.76 2.84 -1.47 2.03 2.02 -1.26 -3.42 118.70 115.67 1ujd s GLU 70 Ca 0.08 1.29 -0.02 0.00 0.02 0.00 0.00 54.97 56.34 1ujd s GLU 70 Cb 0.06 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.33 1ujd s GLU 70 CO -0.07 -1.21 0.27 0.41 0.02 0.00 0.00 175.26 174.69 1ujd n GLY 71 N -0.82 -0.38 3.47 -1.39 0.00 -1.13 -4.73 105.19 100.20 1ujd n GLY 71 Ca 0.10 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.24 3.69 -0.26 1.61 -1.94 -1.22 0.17 119.30 116.12 1ujd s MET 72 Ca 0.13 -0.46 -0.29 0.00 -1.71 0.00 0.00 55.69 53.36 1ujd s MET 72 Cb -0.06 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 1ujd s MET 72 CO 0.17 -0.14 1.61 -1.14 -0.01 0.00 0.00 175.02 175.51 1ujd s GLN 73 N 1.48 3.71 -0.47 2.03 0.74 -1.26 -1.03 119.66 124.86 1ujd s GLN 73 Ca 0.06 1.55 -0.27 0.00 0.05 0.00 0.00 55.36 56.74 1ujd s GLN 73 Cb -0.15 -4.05 0.03 0.00 1.10 0.00 0.00 33.01 29.94 1ujd s GLN 73 CO 0.04 -1.40 1.04 0.08 -0.55 0.00 0.00 175.29 174.50 1ujd s VAL 74 N 5.44 4.34 0.02 1.34 1.01 0.50 -3.16 120.40 129.89 1ujd s VAL 74 Ca 0.71 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.43 1ujd s VAL 74 Cb -0.23 -4.52 -0.16 0.00 0.00 0.00 0.00 36.38 31.47 1ujd s VAL 74 CO 0.30 -0.92 1.19 -0.07 0.00 0.00 0.00 175.10 175.60 1ujd h LEU 75 N 10.89 -0.78 -8.36 3.92 3.38 -0.01 -3.34 115.31 121.00 1ujd h LEU 75 Ca -0.23 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 1ujd h LEU 75 Cb 1.07 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1ujd h LEU 75 CO 1.08 -0.42 -0.68 -1.61 0.09 0.00 0.00 178.44 176.90 1ujd s GLU 76 N -4.86 0.77 -0.17 1.13 2.02 -1.12 -3.13 118.70 113.34 1ujd s GLU 76 Ca -0.15 -1.32 -0.04 0.00 0.02 0.00 0.00 54.97 53.49 1ujd s GLU 76 Cb 0.02 0.06 0.06 0.00 0.10 0.00 0.00 34.13 34.36 1ujd s GLU 76 CO 0.46 -0.11 0.06 -0.46 0.02 0.00 0.00 175.26 175.23 1ujd s TRP 77 N -3.84 0.52 -1.07 1.61 -0.11 -0.30 -1.33 118.94 114.41 1ujd s TRP 77 Ca 0.13 -0.48 0.00 0.00 1.22 0.00 0.00 56.10 56.97 1ujd s TRP 77 Cb 0.07 -0.81 0.00 0.00 -1.50 0.00 0.00 33.47 31.23 1ujd s TRP 77 CO -0.05 -0.52 0.00 0.09 -4.62 0.00 0.00 176.95 171.84 1ujd n ASN 78 N 5.19 -3.95 0.00 5.86 3.02 0.50 -2.72 115.26 123.16 1ujd n ASN 78 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1ujd n ASN 78 Cb 0.48 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 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 2.14 3.70 7.41 0.00 -1.26 -4.95 105.19 111.18 1ujd n GLY 79 Ca -0.15 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 0.19 -2.52 -0.61 -0.00 -1.10 -4.93 119.36 110.40 1ujd n ILE 80 Ca 0.00 -0.03 -0.38 0.00 -0.00 0.00 0.00 62.75 62.33 1ujd n ILE 80 Cb 0.00 -2.00 -0.04 0.00 -0.00 0.00 0.00 39.64 37.60 1ujd n ILE 80 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1ujd s PRO 81 N 1.98 4.41 -0.16 0.38 0.04 -1.26 -1.15 135.00 139.24 1ujd s PRO 81 Ca 0.79 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1ujd s PRO 81 Cb -0.52 -2.88 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 1ujd s PRO 81 CO 0.36 0.05 -0.05 1.28 0.04 0.00 0.00 177.00 178.68 1ujd n LEU 82 N 0.59 1.38 -4.66 -3.56 4.77 -1.18 -4.92 117.00 109.41 1ujd n LEU 82 Ca 0.02 -0.05 -0.47 0.00 -0.03 0.00 0.00 56.01 55.48 1ujd n LEU 82 Cb 0.47 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1ujd n LEU 82 CO 0.49 0.56 1.16 0.41 -1.33 0.00 0.00 177.39 178.69 1ujd n THR 83 N -2.76 0.02 -1.56 -5.08 -1.04 -1.25 -1.72 114.28 100.90 1ujd n THR 83 Ca -0.27 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1ujd n THR 83 Cb 0.91 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1ujd n THR 83 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ujd n SER 84 N 3.42 -0.87 -3.33 8.00 2.88 -0.95 -5.01 113.62 117.77 1ujd n SER 84 Ca 0.17 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.52 1ujd n SER 84 Cb 0.27 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.90 0.66 -4.49 -1.46 4.76 -0.70 -5.07 118.16 110.96 1ujd n LYS 85 Ca 0.00 -2.67 -0.33 0.00 -2.87 0.00 0.00 58.31 52.44 1ujd n LYS 85 Cb 0.38 1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 34.91 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 -2.73 3.78 0.39 -0.18 -4.23 -1.26 -2.78 115.64 108.62 1ujd s THR 86 Ca 0.16 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.34 1ujd s THR 86 Cb 0.01 -2.61 0.44 0.00 1.34 0.00 0.00 72.50 71.68 1ujd s THR 86 CO 0.11 0.48 1.43 0.00 -0.54 0.00 0.00 174.62 176.10 1ujd n TYR 87 N 1.80 0.70 0.08 3.99 4.19 0.13 -0.54 117.16 127.51 1ujd n TYR 87 Ca -0.16 0.70 -0.04 0.00 3.31 0.00 0.00 57.90 61.71 1ujd n TYR 87 Cb 0.53 -1.13 -0.02 0.00 0.49 0.00 0.00 39.34 39.21 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 -0.22 -0.82 2.98 4.39 -1.94 -2.93 114.58 116.04 1ujd h GLU 88 Ca 0.80 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.60 1ujd h GLU 88 Cb 2.52 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 31.10 1ujd h GLU 88 CO -0.46 -0.15 -0.54 0.93 -1.16 0.00 0.00 179.01 177.63 1ujd h GLU 89 N -0.39 -0.11 -0.85 2.33 5.08 -1.22 0.26 114.58 119.68 1ujd h GLU 89 Ca -0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1ujd h GLU 89 Cb 0.18 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1ujd h GLU 89 CO 0.04 -0.07 -0.50 0.28 -1.00 0.00 0.00 179.01 177.76 1ujd n VAL 90 N -5.32 -0.57 -0.23 3.13 0.31 0.01 -0.80 118.33 114.85 1ujd n VAL 90 Ca 0.02 2.27 -0.06 0.00 -0.01 0.00 0.00 64.34 66.56 1ujd n VAL 90 Cb 0.31 -2.83 -0.05 0.00 -0.91 0.00 0.00 33.84 30.35 1ujd n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ujd n GLN 91 N -4.91 -0.24 -0.39 5.55 0.00 0.05 0.21 117.38 117.65 1ujd n GLN 91 Ca 0.02 1.17 -0.03 0.00 -0.00 0.00 0.00 57.00 58.16 1ujd n GLN 91 Cb 0.22 -1.73 0.02 0.00 0.00 0.00 0.00 30.24 28.75 1ujd n GLN 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ujd n SER 92 N -4.26 -0.72 -0.30 1.69 7.64 0.02 0.28 113.62 117.97 1ujd n SER 92 Ca 0.01 1.75 0.10 0.00 1.01 0.00 0.00 58.87 61.73 1ujd n SER 92 Cb 0.14 -0.37 0.26 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.64 0.20 0.44 2.04 0.46 -2.23 117.51 119.06 1ujd h ILE 93 Ca 0.32 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1ujd h ILE 93 Cb 0.56 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1ujd h ILE 93 CO -0.98 0.10 -0.10 0.40 0.00 0.00 0.00 178.15 177.57 1ujd h ILE 94 N 0.56 0.43 0.00 -0.67 2.04 0.41 -3.35 117.51 116.94 1ujd h ILE 94 Ca 0.51 -0.99 -0.42 0.00 1.00 0.00 0.00 64.86 64.95 1ujd h ILE 94 Cb 0.82 0.75 0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1ujd h ILE 94 CO -0.42 0.12 2.18 -0.24 0.00 0.00 0.00 178.15 179.79 1ujd n SER 95 N -4.95 3.15 -2.65 1.72 2.88 0.80 -4.06 113.62 110.51 1ujd n SER 95 Ca -0.06 -2.40 -0.03 0.00 -1.33 0.00 0.00 58.87 55.05 1ujd n SER 95 Cb 0.21 -0.97 0.05 0.00 -0.75 0.00 0.00 64.21 62.75 1ujd n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ujd n GLN 96 N 5.47 0.02 -4.13 -1.46 1.13 -1.19 -4.76 117.38 112.45 1ujd n GLN 96 Ca 0.40 -0.54 -0.09 0.00 -1.94 0.00 0.00 57.00 54.82 1ujd n GLN 96 Cb 0.22 0.32 -0.10 0.00 0.11 0.00 0.00 30.24 30.79 1ujd n GLN 96 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1ujd s GLN 97 N 0.76 0.81 -0.78 -1.09 0.00 -1.26 -4.98 119.66 113.12 1ujd s GLN 97 Ca 0.23 -1.36 0.03 0.00 -0.00 0.00 0.00 55.36 54.26 1ujd s GLN 97 Cb 0.17 0.20 0.28 0.00 0.00 0.00 0.00 33.01 33.66 1ujd s GLN 97 CO -0.10 -0.19 1.06 0.43 0.00 0.00 0.00 175.29 176.48 1ujd n SER 98 N -0.02 4.86 -1.83 12.60 7.64 -1.26 -4.94 113.62 130.66 1ujd n SER 98 Ca -0.09 -3.49 -0.00 0.00 1.01 0.00 0.00 58.87 56.30 1ujd n SER 98 Cb 0.63 -0.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 99 N 0.76 -4.67 0.43 0.23 0.00 -1.26 -4.99 105.19 95.69 1ujd n GLY 99 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.12 -1.14 -3.69 1.61 2.13 -1.26 -5.00 120.64 114.41 1ujd n GLU 100 Ca -0.01 0.88 -0.10 0.00 0.66 0.00 0.00 57.16 58.59 1ujd n GLU 100 Cb 0.01 -1.09 -0.04 0.00 0.27 0.00 0.00 31.44 30.59 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 -4.20 -0.91 -0.13 4.31 0.00 -0.95 -4.96 121.76 114.93 1ujd s ALA 101 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 1ujd s ALA 101 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1ujd s ALA 101 CO 0.00 -0.72 0.03 -1.21 0.00 0.00 0.00 175.76 173.86 1ujd s GLU 102 N -3.84 3.47 0.17 0.00 8.01 -1.26 -0.28 118.70 124.96 1ujd s GLU 102 Ca 0.06 -0.38 0.11 0.00 0.01 0.00 0.00 54.97 54.77 1ujd s GLU 102 Cb 0.01 -2.98 -0.04 0.00 -4.31 0.00 0.00 34.13 26.80 1ujd s GLU 102 CO -0.07 0.49 -0.25 -1.50 0.01 0.00 0.00 175.26 173.94 1ujd s ILE 103 N -0.27 2.29 -0.18 -1.63 2.07 0.88 0.19 121.20 124.55 1ujd s ILE 103 Ca 0.07 -1.92 -0.03 0.00 -1.41 0.00 0.00 60.65 57.36 1ujd s ILE 103 Cb -0.12 -2.06 0.06 0.00 0.13 0.00 0.00 42.46 40.46 1ujd s ILE 103 CO 0.02 -0.04 0.05 0.00 -1.91 0.00 0.00 174.94 173.05 1ujd s VAL 105 N 1.94 1.24 -0.22 0.00 -7.23 -1.22 0.67 120.40 115.57 1ujd s VAL 105 Ca 0.00 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1ujd s VAL 105 Cb -0.16 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1ujd s VAL 105 CO -0.08 0.00 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.96 1ujd s ARG 106 N -4.09 2.63 0.05 4.82 3.52 -1.19 -3.39 118.95 121.30 1ujd s ARG 106 Ca 0.14 -1.08 -0.13 0.00 -0.13 0.00 0.00 55.73 54.54 1ujd s ARG 106 Cb -0.01 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 1ujd s ARG 106 CO 0.09 -0.38 1.21 -0.07 -0.81 0.00 0.00 175.30 175.34 1ujd h LEU 107 N 7.86 -0.73 -8.13 -0.88 3.38 -1.19 -3.17 115.31 112.45 1ujd h LEU 107 Ca -0.33 0.10 -0.43 0.00 0.09 0.00 0.00 57.88 57.31 1ujd h LEU 107 Cb 1.09 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 1ujd h LEU 107 CO 0.55 -0.15 1.15 -0.62 0.09 0.00 0.00 178.44 179.46 1ujd s ASP 108 N -3.65 5.73 -0.27 -0.43 2.15 -1.24 -4.81 116.67 114.15 1ujd s ASP 108 Ca -0.05 -1.19 -0.28 0.00 0.43 0.00 0.00 52.55 51.45 1ujd s ASP 108 Cb 0.03 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 40.27 1ujd s ASP 108 CO 0.24 -2.23 1.31 -0.22 -0.17 0.00 0.00 175.17 174.09 1ujd s LEU 109 N 7.97 -0.10 -0.21 -1.34 1.98 -1.20 -4.98 118.68 120.80 1ujd s LEU 109 Ca 0.60 0.14 -0.13 0.00 -2.89 0.00 0.00 54.13 51.85 1ujd s LEU 109 Cb -0.03 1.23 0.07 0.00 0.66 0.00 0.00 46.19 48.12 1ujd s LEU 109 CO -0.02 -0.08 0.52 0.21 -1.89 0.00 0.00 176.35 175.09 1ujd s ASN 110 N -0.78 -0.67 -0.06 3.68 2.47 -1.24 -4.77 114.94 113.57 1ujd s ASN 110 Ca 0.07 1.13 0.05 0.00 0.42 0.00 0.00 52.86 54.53 1ujd s ASN 110 Cb -0.02 1.02 -0.01 0.00 -1.45 0.00 0.00 41.25 40.79 1ujd s ASN 110 CO -0.08 -0.21 -0.24 -0.04 -3.72 0.00 0.00 177.10 172.82 1ujd s MET 111 N 1.37 2.54 0.23 0.43 -1.94 0.46 -4.86 119.30 117.54 1ujd s MET 111 Ca -0.09 -0.86 -0.30 0.00 -1.71 0.00 0.00 55.69 52.74 1ujd s MET 111 Cb -0.07 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.58 1ujd s MET 111 CO -0.14 0.32 0.98 -1.12 -0.01 0.00 0.00 175.02 175.05 1ujd s SER 112 N -0.02 7.55 0.22 3.03 0.01 -1.26 -4.09 113.70 119.14 1ujd s SER 112 Ca -0.07 2.00 0.11 0.00 1.31 0.00 0.00 55.95 59.30 1ujd s SER 112 Cb -0.14 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1ujd s SER 112 CO 0.05 0.06 -0.16 -0.83 0.41 0.00 0.00 173.24 172.77 1ujd s GLY 113 N -0.96 1.75 0.50 3.44 0.00 -1.26 -5.03 107.32 105.76 1ujd s GLY 113 Ca 0.43 -1.66 -0.19 0.00 0.00 0.00 0.00 44.72 43.29 1ujd s GLY 113 CO 0.34 -1.71 1.04 2.56 0.00 0.00 0.00 173.10 175.33 1ujd s PRO 114 N -3.06 3.73 0.05 2.90 0.04 -1.26 -5.07 135.00 132.33 1ujd s PRO 114 Ca 0.26 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.63 1ujd s PRO 114 Cb -0.07 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1ujd s PRO 114 CO 0.14 -0.48 -0.06 0.45 0.04 0.00 0.00 177.00 177.09 1ujd s SER 115 N -2.14 0.72 0.11 6.66 0.15 -1.26 -5.07 113.70 112.87 1ujd s SER 115 Ca 0.66 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1ujd s SER 115 Cb -0.16 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1ujd s SER 115 CO 0.23 -0.33 0.00 -0.24 1.20 0.00 0.00 173.24 174.10 1ujd n SER 116 N 1.02 1.01 0.00 5.45 2.88 -1.26 -5.37 113.62 117.35 1ujd n SER 116 Ca -0.20 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1ujd n SER 116 Cb 0.57 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1ujd n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42