#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 2.63 -0.42 1.61 0.01 -1.26 -5.10 113.70 111.18 1ujd s SER 2 Ca 0.00 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 56.56 1ujd s SER 2 Cb 0.00 -1.04 0.02 0.00 0.21 0.00 0.00 66.02 65.21 1ujd s SER 2 CO 0.00 -0.11 0.58 -0.55 0.41 0.00 0.00 173.24 173.57 1ujd s SER 3 N 1.57 6.30 0.43 2.44 0.15 -1.26 -4.96 113.70 118.36 1ujd s SER 3 Ca 0.04 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1ujd s SER 3 Cb -0.13 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1ujd s SER 3 CO -0.09 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1ujd n GLY 4 N 5.00 -0.43 1.55 9.45 0.00 -1.26 -5.00 105.19 114.50 1ujd n GLY 4 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ujd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujd n SER 5 N -3.60 -5.65 -4.27 1.61 2.88 -1.26 -5.03 113.62 98.30 1ujd n SER 5 Ca 0.00 0.85 -0.33 0.00 -1.33 0.00 0.00 58.87 58.06 1ujd n SER 5 Cb 0.01 -3.06 -0.16 0.00 -0.75 0.00 0.00 64.21 60.26 1ujd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujd s SER 6 N -0.28 3.48 0.08 -3.46 0.01 -1.26 -4.94 113.70 107.32 1ujd s SER 6 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1ujd s SER 6 Cb 0.00 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1ujd s SER 6 CO 0.00 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1ujd n GLY 7 N 3.69 -5.44 3.60 3.44 0.00 -1.26 -5.08 105.19 104.13 1ujd n GLY 7 Ca -0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.51 -0.76 1.29 1.61 2.46 -1.26 -5.17 115.29 112.95 1ujd s HIS 8 Ca 0.00 1.44 -0.19 0.00 0.47 0.00 0.00 55.06 56.78 1ujd s HIS 8 Cb 0.00 0.45 0.30 0.00 -0.13 0.00 0.00 32.58 33.20 1ujd s HIS 8 CO 0.00 -0.37 0.70 0.66 -2.47 0.00 0.00 174.74 173.26 1ujd n TYR 9 N 4.22 -2.86 0.17 3.88 4.01 -1.26 -4.91 117.16 120.41 1ujd n TYR 9 Ca -0.16 -0.44 0.12 0.00 -0.16 0.00 0.00 57.90 57.25 1ujd n TYR 9 Cb 0.56 -1.43 0.08 0.00 -0.31 0.00 0.00 39.34 38.24 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 -3.16 0.00 -2.09 -0.72 3.07 -2.05 -3.46 117.51 109.10 1ujd h ILE 10 Ca -0.41 -0.99 -0.48 0.00 1.55 0.00 0.00 64.86 64.53 1ujd h ILE 10 Cb 1.20 1.70 -0.03 0.00 -0.27 0.00 0.00 36.82 39.42 1ujd h ILE 10 CO 0.28 0.00 -0.46 0.72 -1.05 0.00 0.00 178.15 177.63 1ujd s PHE 11 N -3.30 3.17 -0.16 0.16 -0.12 -1.26 -5.07 117.98 111.41 1ujd s PHE 11 Ca 0.03 -0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 56.48 1ujd s PHE 11 Cb 0.08 -1.59 -0.02 0.00 -0.63 0.00 0.00 43.02 40.86 1ujd s PHE 11 CO 0.74 0.37 1.28 -1.25 -0.05 0.00 0.00 175.22 176.31 1ujd s PRO 12 N -3.95 4.23 0.11 1.99 0.04 -1.26 -4.99 135.00 131.18 1ujd s PRO 12 Ca 0.36 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1ujd s PRO 12 Cb -0.08 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.68 1ujd s PRO 12 CO 0.27 -0.71 0.07 -2.39 0.04 0.00 0.00 177.00 174.29 1ujd n HIS 13 N 6.59 -0.14 -3.50 0.56 1.44 -1.26 -0.53 115.22 118.38 1ujd n HIS 13 Ca 0.14 -0.86 0.01 0.00 -2.01 0.00 0.00 57.72 55.00 1ujd n HIS 13 Cb 0.45 0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.56 1ujd n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ujd s ALA 14 N -2.40 -2.71 -0.99 1.59 0.00 -1.19 -4.85 121.76 111.21 1ujd s ALA 14 Ca 0.10 2.01 -0.16 0.00 0.00 0.00 0.00 51.96 53.92 1ujd s ALA 14 Cb 0.00 -2.00 0.17 0.00 0.00 0.00 0.00 23.12 21.30 1ujd s ALA 14 CO 0.07 -0.60 1.14 1.03 0.00 0.00 0.00 175.76 177.40 1ujd s ARG 15 N 1.63 3.77 0.27 0.00 0.52 -1.26 -3.31 118.95 120.57 1ujd s ARG 15 Ca -0.05 -2.20 -0.17 0.00 -0.52 0.00 0.00 55.73 52.78 1ujd s ARG 15 Cb -0.03 -4.84 -0.09 0.00 0.52 0.00 0.00 34.95 30.52 1ujd s ARG 15 CO -0.14 -1.64 0.72 0.42 0.02 0.00 0.00 175.30 174.68 1ujd s ILE 16 N 1.65 4.64 0.35 1.52 1.01 -0.88 -4.89 121.20 124.61 1ujd s ILE 16 Ca 0.32 1.09 0.01 0.00 0.00 0.00 0.00 60.65 62.08 1ujd s ILE 16 Cb -0.06 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1ujd s ILE 16 CO -0.07 0.01 0.54 -1.59 0.00 0.00 0.00 174.94 173.83 1ujd s LYS 17 N -2.49 3.37 -0.22 2.79 -2.85 -1.26 -0.42 119.74 118.66 1ujd s LYS 17 Ca 0.48 -0.47 0.02 0.00 -1.00 0.00 0.00 55.97 55.00 1ujd s LYS 17 Cb -0.13 -2.68 0.04 0.00 -2.06 0.00 0.00 37.83 32.99 1ujd s LYS 17 CO 0.19 0.10 -0.16 0.42 0.10 0.00 0.00 175.35 176.00 1ujd s ILE 18 N -2.31 2.16 -0.16 3.79 -1.09 0.47 -4.84 121.20 119.22 1ujd s ILE 18 Ca 0.41 -1.22 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1ujd s ILE 18 Cb -0.10 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1ujd s ILE 18 CO 0.35 0.29 -0.11 0.42 -1.23 0.00 0.00 174.94 174.66 1ujd s THR 19 N 1.22 3.10 -0.15 2.92 -4.23 -1.26 -2.29 115.64 114.94 1ujd s THR 19 Ca -0.01 -0.63 -0.32 0.00 -1.18 0.00 0.00 61.69 59.56 1ujd s THR 19 Cb -0.16 -2.33 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 1ujd s THR 19 CO -0.09 0.50 2.06 0.54 -0.54 0.00 0.00 174.62 177.08 1ujd n ARG 20 N 3.89 2.05 -0.12 3.99 1.74 -1.26 -4.75 116.66 122.20 1ujd n ARG 20 Ca -0.18 0.68 -0.05 0.00 -0.77 0.00 0.00 57.85 57.53 1ujd n ARG 20 Cb 0.52 -2.86 0.02 0.00 -1.02 0.00 0.00 32.46 29.13 1ujd n ARG 20 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1ujd h ASP 21 N 11.77 -0.29 0.00 0.55 1.82 -1.89 -3.48 116.42 124.91 1ujd h ASP 21 Ca -0.43 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1ujd h ASP 21 Cb 1.27 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.49 1ujd h ASP 21 CO 0.96 -0.10 0.00 -1.20 -1.61 0.00 0.00 179.24 177.29 1ujd n SER 22 N -5.26 0.00 0.00 2.28 7.64 -1.26 -5.01 113.62 112.01 1ujd n SER 22 Ca 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ujd n SER 22 Cb 0.22 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1ujd n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ujd n LYS 23 N 0.00 0.01 -3.06 1.43 4.01 -1.26 -5.03 118.16 114.26 1ujd n LYS 23 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.71 1ujd n LYS 23 Cb 0.00 -0.15 0.01 0.00 -0.51 0.00 0.00 35.03 34.38 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 -2.67 -7.02 0.00 4.39 8.00 -1.26 -3.64 116.55 114.35 1ujd n ASP 24 Ca -0.00 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1ujd n ASP 24 Cb 0.01 -3.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 1ujd n ASP 24 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ujd n HIS 25 N 0.53 0.00 -1.71 1.24 8.25 -1.26 -4.84 115.22 117.43 1ujd n HIS 25 Ca 0.00 0.00 -0.58 0.00 -0.26 0.00 0.00 57.72 56.89 1ujd n HIS 25 Cb 0.39 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 1ujd n HIS 25 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ujd n THR 26 N 0.00 0.30 -0.00 1.59 -2.24 -1.24 -4.85 114.28 107.85 1ujd n THR 26 Ca 0.00 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1ujd n THR 26 Cb 0.00 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 66.87 1ujd n THR 26 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ujd h VAL 27 N 5.22 1.36 -3.10 2.28 3.04 -1.88 -3.42 116.25 119.75 1ujd h VAL 27 Ca -0.46 -2.43 -0.28 0.00 -1.01 0.00 0.00 66.70 62.52 1ujd h VAL 27 Cb 1.32 2.99 -0.35 0.00 -2.01 0.00 0.00 31.29 33.25 1ujd h VAL 27 CO 0.96 0.65 -0.62 -0.44 -1.01 0.00 0.00 177.57 177.11 1ujd s SER 28 N -6.84 0.55 0.00 3.17 0.01 -1.26 -4.97 113.70 104.36 1ujd s SER 28 Ca -0.18 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1ujd s SER 28 Cb 0.02 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1ujd s SER 28 CO 0.76 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1ujd n GLY 29 N 5.10 0.63 2.76 3.44 0.00 -1.26 -5.05 105.19 110.81 1ujd n GLY 29 Ca -0.09 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.32 -6.92 -0.10 1.61 2.85 -1.26 -4.85 115.26 106.27 1ujd n ASN 30 Ca 0.00 1.33 -0.22 0.00 -0.11 0.00 0.00 54.58 55.58 1ujd n ASN 30 Cb 0.00 -4.92 -0.07 0.00 1.24 0.00 0.00 39.78 36.03 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 0.93 -0.33 3.61 8.20 0.00 -1.26 -4.74 105.19 111.60 1ujd n GLY 31 Ca -0.06 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -7.10 3.55 -1.04 0.99 1.02 -1.26 -4.42 118.68 110.42 1ujd s LEU 32 Ca -0.29 1.79 -0.12 0.00 0.02 0.00 0.00 54.13 55.53 1ujd s LEU 32 Cb 0.11 -3.52 0.24 0.00 0.02 0.00 0.00 46.19 43.04 1ujd s LEU 32 CO 0.36 -1.80 1.06 -0.83 0.02 0.00 0.00 176.35 175.17 1ujd s GLY 33 N 7.25 2.89 -0.08 -3.19 0.00 -1.26 -4.92 107.32 108.01 1ujd s GLY 33 Ca 0.93 -3.57 -0.05 0.00 0.00 0.00 0.00 44.72 42.03 1ujd s GLY 33 CO 0.35 1.45 0.19 -1.50 0.00 0.00 0.00 173.10 173.59 1ujd s ILE 34 N -0.26 -0.03 -0.32 0.90 2.07 -1.26 -3.36 121.20 118.93 1ujd s ILE 34 Ca 0.29 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.66 1ujd s ILE 34 Cb -0.09 -0.29 0.08 0.00 0.13 0.00 0.00 42.46 42.29 1ujd s ILE 34 CO -0.07 0.05 0.03 -0.13 -1.91 0.00 0.00 174.94 172.90 1ujd s ARG 35 N 0.93 2.03 -0.12 3.50 0.52 -0.30 -5.01 118.95 120.50 1ujd s ARG 35 Ca -0.07 -1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 53.57 1ujd s ARG 35 Cb -0.09 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 1ujd s ARG 35 CO -0.05 -0.79 -0.11 0.42 0.02 0.00 0.00 175.30 174.79 1ujd s ILE 36 N 1.09 3.23 -0.21 1.52 1.01 -1.26 0.90 121.20 127.48 1ujd s ILE 36 Ca 0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1ujd s ILE 36 Cb -0.20 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1ujd s ILE 36 CO -0.05 0.54 0.02 -0.69 0.00 0.00 0.00 174.94 174.76 1ujd s VAL 37 N 0.10 4.12 0.09 2.92 1.01 -0.80 -4.76 120.40 123.08 1ujd s VAL 37 Ca -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1ujd s VAL 37 Cb -0.14 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1ujd s VAL 37 CO 0.04 0.42 0.18 -0.83 0.00 0.00 0.00 175.10 174.91 1ujd s GLY 38 N 1.03 2.01 0.00 4.51 0.00 -1.26 -2.12 107.32 111.48 1ujd s GLY 38 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1ujd s GLY 38 CO 0.02 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.79 1ujd n GLY 39 N 0.11 0.91 3.77 0.20 0.00 0.19 -2.06 105.19 108.31 1ujd n GLY 39 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.93 4.33 -0.03 1.61 2.47 -0.82 -4.68 119.74 121.69 1ujd s LYS 40 Ca 0.00 0.82 -0.30 0.00 -1.56 0.00 0.00 55.97 54.93 1ujd s LYS 40 Cb 0.00 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 1ujd s LYS 40 CO 0.00 0.44 1.28 -2.00 0.16 0.00 0.00 175.35 175.23 1ujd s GLU 41 N -0.48 4.33 0.15 4.03 2.12 -1.26 -0.79 118.70 126.80 1ujd s GLU 41 Ca 0.32 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 57.14 1ujd s GLU 41 Cb -0.19 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 1ujd s GLU 41 CO 0.19 -0.49 1.03 0.42 -0.54 0.00 0.00 175.26 175.87 1ujd s ILE 42 N 2.23 4.16 -1.14 -3.70 1.01 -0.42 -4.92 121.20 118.42 1ujd s ILE 42 Ca 0.59 1.84 -0.15 0.00 0.00 0.00 0.00 60.65 62.93 1ujd s ILE 42 Cb -0.28 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 1ujd s ILE 42 CO 0.24 0.31 2.21 -0.81 0.00 0.00 0.00 174.94 176.89 1ujd n PRO 43 N 2.53 2.36 0.00 2.79 -0.04 -1.26 -3.92 135.00 137.47 1ujd n PRO 43 Ca 0.02 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 1ujd n PRO 43 Cb 0.47 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.10 0.61 2.25 0.55 0.00 -1.26 -4.97 105.19 106.47 1ujd n GLY 44 Ca 0.54 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1ujd n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ujd n HIS 45 N 0.00 -1.08 -3.91 1.61 -0.00 -1.25 -5.00 115.22 105.59 1ujd n HIS 45 Ca 0.00 -0.95 -0.38 0.00 -0.00 0.00 0.00 57.72 56.39 1ujd n HIS 45 Cb 0.00 1.14 0.02 0.00 -0.00 0.00 0.00 29.99 31.15 1ujd n HIS 45 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ujd n SER 46 N -0.70 -4.21 -3.71 0.26 2.88 -1.26 -2.14 113.62 104.75 1ujd n SER 46 Ca -0.12 -1.16 -0.24 0.00 -1.33 0.00 0.00 58.87 56.02 1ujd n SER 46 Cb 0.70 -2.51 0.01 0.00 -0.75 0.00 0.00 64.21 61.66 1ujd n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 47 N -1.93 -1.22 3.13 0.46 0.00 -1.26 -4.98 105.19 99.39 1ujd n GLY 47 Ca -0.12 0.54 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -5.06 1.14 0.78 1.61 2.56 -0.91 -5.05 118.70 113.78 1ujd s GLU 48 Ca 0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 54.97 54.41 1ujd s GLU 48 Cb -0.05 -1.12 0.13 0.00 2.00 0.00 0.00 34.13 35.09 1ujd s GLU 48 CO 0.88 0.30 1.09 0.96 -0.56 0.00 0.00 175.26 177.93 1ujd s ILE 49 N -0.47 2.15 -0.54 -3.70 -4.36 -1.26 -1.30 121.20 111.72 1ujd s ILE 49 Ca 0.05 -0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1ujd s ILE 49 Cb -0.06 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1ujd s ILE 49 CO -0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1ujd n GLY 50 N -3.11 -0.57 3.26 6.27 0.00 0.03 -3.50 105.19 107.58 1ujd n GLY 50 Ca 0.13 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1ujd n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujd s ALA 51 N -1.00 1.72 -0.04 4.61 0.00 -1.05 0.54 121.76 126.53 1ujd s ALA 51 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 1ujd s ALA 51 Cb 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1ujd s ALA 51 CO 0.00 0.35 0.41 1.52 0.00 0.00 0.00 175.76 178.04 1ujd s TYR 52 N -1.05 -0.32 -0.17 0.00 1.13 -0.90 0.14 117.35 116.17 1ujd s TYR 52 Ca 0.06 0.57 -0.31 0.00 -1.41 0.00 0.00 57.07 55.98 1ujd s TYR 52 Cb -0.10 0.17 -0.08 0.00 -1.10 0.00 0.00 41.96 40.86 1ujd s TYR 52 CO 0.03 -0.42 2.11 -0.89 -2.51 0.00 0.00 175.55 173.87 1ujd n ILE 53 N 1.39 0.44 -0.09 -3.49 5.41 -0.58 -1.91 119.36 120.53 1ujd n ILE 53 Ca -0.20 -0.30 -0.15 0.00 1.00 0.00 0.00 62.75 63.11 1ujd n ILE 53 Cb 0.56 -2.21 -0.07 0.00 -0.71 0.00 0.00 39.64 37.21 1ujd n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujd n ALA 54 N 9.62 0.65 -2.77 -1.39 0.00 0.26 -2.67 120.51 124.21 1ujd n ALA 54 Ca 0.29 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1ujd n ALA 54 Cb 0.37 -0.31 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 1ujd n ALA 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ujd s LYS 55 N -2.32 0.58 -0.28 0.00 2.47 -0.74 -4.82 119.74 114.62 1ujd s LYS 55 Ca -0.23 -0.50 0.03 0.00 -1.56 0.00 0.00 55.97 53.71 1ujd s LYS 55 Cb 0.04 -0.49 0.07 0.00 -1.46 0.00 0.00 37.83 36.00 1ujd s LYS 55 CO 0.43 0.12 -0.06 0.42 0.16 0.00 0.00 175.35 176.42 1ujd s ILE 56 N -0.69 2.24 0.56 5.43 1.01 -1.26 -1.15 121.20 127.33 1ujd s ILE 56 Ca -0.02 -1.81 -0.18 0.00 0.00 0.00 0.00 60.65 58.64 1ujd s ILE 56 Cb -0.06 -2.41 -0.14 0.00 0.01 0.00 0.00 42.46 39.86 1ujd s ILE 56 CO 0.00 -0.18 -0.12 0.18 0.00 0.00 0.00 174.94 174.82 1ujd n LEU 57 N 4.39 -3.44 -4.55 2.97 7.99 -1.21 -4.74 117.00 118.41 1ujd n LEU 57 Ca -0.09 0.62 -0.40 0.00 -0.01 0.00 0.00 56.01 56.13 1ujd n LEU 57 Cb 0.42 -0.87 -0.03 0.00 -0.11 0.00 0.00 43.42 42.83 1ujd n LEU 57 CO 0.22 -4.73 1.38 -2.16 -1.51 0.00 0.00 177.39 170.59 1ujd s PRO 58 N -1.22 2.92 -0.92 3.23 0.04 -1.26 -3.38 135.00 134.41 1ujd s PRO 58 Ca 0.56 0.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.71 1ujd s PRO 58 Cb -0.46 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1ujd s PRO 58 CO 0.67 -2.45 0.79 0.41 0.04 0.00 0.00 177.00 176.45 1ujd n GLY 59 N 5.59 -0.13 0.00 0.56 0.00 -1.26 -5.03 105.19 104.91 1ujd n GLY 59 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.33 1.43 0.12 -0.02 0.00 -1.22 -4.81 105.19 99.36 1ujd n GLY 60 Ca -0.11 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 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 0.53 0.13 1.61 0.02 -1.77 -2.86 113.55 111.21 1ujd h SER 61 Ca 0.00 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1ujd h SER 61 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1ujd h SER 61 CO 0.00 1.47 -0.06 0.00 -1.14 0.00 0.00 176.83 177.09 1ujd h ALA 62 N 0.45 -0.17 -0.43 3.77 0.00 -1.90 -3.22 119.26 117.76 1ujd h ALA 62 Ca -0.18 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1ujd h ALA 62 Cb 2.03 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 1ujd h ALA 62 CO 0.22 -0.18 0.51 1.49 0.00 0.00 0.00 179.25 181.28 1ujd h GLU 63 N -1.00 0.00 0.65 0.00 4.57 -1.79 -1.12 114.58 115.88 1ujd h GLU 63 Ca -0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1ujd h GLU 63 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1ujd h GLU 63 CO 0.03 0.00 -0.45 1.96 -1.18 0.00 0.00 179.01 179.37 1ujd h GLN 64 N 0.00 -1.01 -0.85 1.92 1.08 -1.51 -3.01 115.11 111.73 1ujd h GLN 64 Ca 0.20 0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.56 1ujd h GLN 64 Cb 1.22 0.23 -0.11 0.00 -0.05 0.00 0.00 27.48 28.76 1ujd h GLN 64 CO -0.00 -0.67 -0.56 1.79 -0.95 0.00 0.00 178.83 178.44 1ujd h THR 65 N -1.05 0.01 0.00 -0.54 1.35 -1.28 -3.46 112.91 107.94 1ujd h THR 65 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1ujd h THR 65 Cb 0.86 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1ujd h THR 65 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1ujd n GLY 66 N -1.31 3.15 0.32 5.82 0.00 -1.14 -4.83 105.19 107.22 1ujd n GLY 66 Ca 0.01 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -6.37 1.61 1.57 -1.89 -3.40 116.57 108.09 1ujd h LYS 67 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1ujd h LYS 67 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ujd h LYS 67 CO 0.00 0.00 0.70 -0.51 -0.57 0.00 0.00 179.45 179.07 1ujd s LEU 68 N -8.85 4.31 0.01 2.94 2.01 -1.26 -5.01 118.68 112.83 1ujd s LEU 68 Ca -0.05 1.94 -0.17 0.00 0.01 0.00 0.00 54.13 55.86 1ujd s LEU 68 Cb 0.18 -3.56 0.03 0.00 0.01 0.00 0.00 46.19 42.85 1ujd s LEU 68 CO 0.70 -0.59 0.37 -0.32 1.01 0.00 0.00 176.35 177.52 1ujd s MET 69 N 1.94 0.81 0.64 1.70 -2.45 -1.26 -4.74 119.30 115.94 1ujd s MET 69 Ca 0.59 -0.27 -0.17 0.00 -1.25 0.00 0.00 55.69 54.58 1ujd s MET 69 Cb -0.28 0.36 -0.03 0.00 1.25 0.00 0.00 34.83 36.13 1ujd s MET 69 CO 0.25 -0.25 0.94 0.39 1.05 0.00 0.00 175.02 177.40 1ujd n GLU 70 N 0.87 0.75 -0.30 4.11 1.02 -1.26 -2.21 120.64 123.63 1ujd n GLU 70 Ca -0.20 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1ujd n GLU 70 Cb 0.58 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1ujd n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujd n GLY 71 N 1.27 1.47 3.68 0.62 0.00 -1.09 -4.96 105.19 106.18 1ujd n GLY 71 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.34 4.37 0.47 1.61 -1.94 -0.94 0.35 119.30 122.87 1ujd s MET 72 Ca 0.00 1.15 -0.23 0.00 -1.71 0.00 0.00 55.69 54.91 1ujd s MET 72 Cb 0.00 -3.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.22 1ujd s MET 72 CO 0.00 -0.27 1.16 -1.14 -0.01 0.00 0.00 175.02 174.76 1ujd s GLN 73 N 1.90 3.73 -0.29 2.03 -0.44 -1.26 -1.52 119.66 123.80 1ujd s GLN 73 Ca 0.42 1.76 -0.01 0.00 -2.50 0.00 0.00 55.36 55.03 1ujd s GLN 73 Cb -0.17 -2.38 0.05 0.00 -1.64 0.00 0.00 33.01 28.87 1ujd s GLN 73 CO 0.16 -0.57 -0.02 0.08 0.50 0.00 0.00 175.29 175.43 1ujd s VAL 74 N -1.56 2.86 -0.12 1.34 1.01 0.12 -2.51 120.40 121.54 1ujd s VAL 74 Ca 0.64 -1.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1ujd s VAL 74 Cb -0.28 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.37 1ujd s VAL 74 CO 0.34 -0.09 0.19 -0.07 0.00 0.00 0.00 175.10 175.47 1ujd h LEU 75 N 7.96 0.00 -8.08 3.92 3.38 -1.64 -3.34 115.31 117.52 1ujd h LEU 75 Ca -0.21 -0.28 -0.22 0.00 0.09 0.00 0.00 57.88 57.26 1ujd h LEU 75 Cb 1.06 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.60 1ujd h LEU 75 CO 0.52 0.71 -0.71 -1.61 0.09 0.00 0.00 178.44 177.44 1ujd s GLU 76 N -1.84 0.43 -0.25 1.13 2.02 -1.25 -1.04 118.70 117.89 1ujd s GLU 76 Ca -0.08 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 1ujd s GLU 76 Cb -0.00 -0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.23 1ujd s GLU 76 CO 0.23 -0.01 0.01 -0.46 0.02 0.00 0.00 175.26 175.06 1ujd s TRP 77 N -1.54 1.95 -0.92 1.61 -0.11 0.24 -0.97 118.94 119.20 1ujd s TRP 77 Ca -0.12 -1.58 0.00 0.00 1.22 0.00 0.00 56.10 55.62 1ujd s TRP 77 Cb -0.09 -1.54 0.00 0.00 -1.50 0.00 0.00 33.47 30.34 1ujd s TRP 77 CO -0.01 -0.76 0.00 0.09 -4.62 0.00 0.00 176.95 171.65 1ujd n ASN 78 N 4.79 -3.55 0.00 5.86 3.02 0.46 -2.91 115.26 122.94 1ujd n ASN 78 Ca -0.08 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1ujd n ASN 78 Cb 0.44 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.03 2.78 3.70 7.41 0.00 -1.26 -4.93 105.19 111.87 1ujd n GLY 79 Ca -0.13 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.26 2.80 0.58 -0.61 1.09 -1.14 -4.88 121.20 118.78 1ujd s ILE 80 Ca 0.00 0.45 -0.16 0.00 -1.10 0.00 0.00 60.65 59.84 1ujd s ILE 80 Cb 0.00 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 1ujd s ILE 80 CO 0.00 0.02 1.05 -2.16 -0.10 0.00 0.00 174.94 173.75 1ujd s PRO 81 N 1.85 3.42 -0.23 2.79 0.04 -1.26 0.80 135.00 142.40 1ujd s PRO 81 Ca 0.72 1.17 0.10 0.00 0.04 0.00 0.00 61.00 63.04 1ujd s PRO 81 Cb -0.42 -2.05 0.43 0.00 0.04 0.00 0.00 34.50 32.50 1ujd s PRO 81 CO 0.32 -0.73 1.21 1.28 0.04 0.00 0.00 177.00 179.12 1ujd n LEU 82 N -1.94 3.32 -4.62 -3.56 4.77 -0.21 -4.82 117.00 109.94 1ujd n LEU 82 Ca 0.08 -4.11 -0.34 0.00 -0.03 0.00 0.00 56.01 51.61 1ujd n LEU 82 Cb 0.53 -0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1ujd n LEU 82 CO 0.47 1.60 -0.36 -0.89 -1.33 0.00 0.00 177.39 176.88 1ujd s THR 83 N -3.58 3.90 -1.03 -5.08 2.01 -1.26 -2.54 115.64 108.06 1ujd s THR 83 Ca 0.42 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1ujd s THR 83 Cb 0.38 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1ujd s THR 83 CO -0.04 0.59 0.16 -0.24 -0.69 0.00 0.00 174.62 174.39 1ujd n SER 84 N 2.14 -4.15 -0.85 3.53 2.88 -1.23 -4.99 113.62 110.96 1ujd n SER 84 Ca -0.18 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1ujd n SER 84 Cb 0.53 -3.21 0.00 0.00 -0.75 0.00 0.00 64.21 60.78 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 -2.44 2.97 -4.21 -1.46 4.76 -1.26 -5.08 118.16 111.43 1ujd n LYS 85 Ca -0.12 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.17 1ujd n LYS 85 Cb 0.60 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.68 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 0.05 1.09 0.11 -0.18 -4.23 -1.26 -4.23 115.64 106.99 1ujd s THR 86 Ca 0.00 -1.79 -0.21 0.00 -1.18 0.00 0.00 61.69 58.52 1ujd s THR 86 Cb 0.00 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1ujd s THR 86 CO 0.00 -0.59 1.29 0.00 -0.54 0.00 0.00 174.62 174.78 1ujd n TYR 87 N 0.32 -0.29 -0.00 3.99 4.19 -0.87 -0.01 117.16 124.48 1ujd n TYR 87 Ca -0.14 0.83 -0.01 0.00 3.31 0.00 0.00 57.90 61.89 1ujd n TYR 87 Cb 0.58 -0.54 -0.00 0.00 0.49 0.00 0.00 39.34 39.87 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 -0.02 -0.25 2.98 4.39 -1.97 0.16 114.58 119.87 1ujd h GLU 88 Ca 0.11 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1ujd h GLU 88 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1ujd h GLU 88 CO -0.62 -0.01 -0.15 0.39 -1.16 0.00 0.00 179.01 177.46 1ujd n GLU 89 N -2.70 -0.11 -0.29 2.33 1.02 -0.75 -0.87 120.64 119.28 1ujd n GLU 89 Ca -0.00 1.07 -0.08 0.00 -0.02 0.00 0.00 57.16 58.13 1ujd n GLU 89 Cb 0.01 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 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 -0.76 2.62 2.07 -0.25 0.46 116.25 120.39 1ujd h VAL 90 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ujd h VAL 90 Cb 0.10 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.78 1ujd h VAL 90 CO -0.23 0.00 -0.45 1.67 0.02 0.00 0.00 177.57 178.58 1ujd n GLN 91 N -4.56 -0.34 -0.33 1.57 7.27 0.53 0.07 117.38 121.59 1ujd n GLN 91 Ca 0.01 1.36 -0.03 0.00 0.07 0.00 0.00 57.00 58.42 1ujd n GLN 91 Cb 0.18 -2.00 0.03 0.00 2.41 0.00 0.00 30.24 30.85 1ujd n GLN 91 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ujd h SER 92 N 0.00 -1.38 -1.00 1.69 0.87 0.10 2.92 113.55 116.76 1ujd h SER 92 Ca 0.12 0.29 0.22 0.00 -1.23 0.00 0.00 61.79 61.19 1ujd h SER 92 Cb 0.31 0.71 -0.10 0.00 -0.44 0.00 0.00 62.40 62.88 1ujd h SER 92 CO -0.72 -0.29 0.62 0.40 -0.53 0.00 0.00 176.83 176.31 1ujd h ILE 93 N -0.05 0.64 0.00 2.23 2.04 0.84 0.34 117.51 123.54 1ujd h ILE 93 Ca 0.31 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1ujd h ILE 93 Cb 0.58 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ujd h ILE 93 CO -0.89 0.11 -0.03 0.40 0.00 0.00 0.00 178.15 177.73 1ujd h ILE 94 N 0.60 0.00 -0.87 -0.67 2.04 0.40 -3.34 117.51 115.68 1ujd h ILE 94 Ca 0.57 -0.85 0.23 0.00 1.00 0.00 0.00 64.86 65.81 1ujd h ILE 94 Cb 1.12 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.04 1ujd h ILE 94 CO -0.34 0.00 -0.03 -1.20 0.00 0.00 0.00 178.15 176.58 1ujd n SER 95 N -4.35 -0.14 -4.62 1.72 7.64 0.85 -3.93 113.62 110.78 1ujd n SER 95 Ca -0.00 1.48 -0.43 0.00 1.01 0.00 0.00 58.87 60.92 1ujd n SER 95 Cb 0.02 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 1ujd n SER 95 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ujd s GLN 96 N -5.88 3.58 -0.29 1.43 -0.21 0.12 -4.90 119.66 113.51 1ujd s GLN 96 Ca -0.12 1.63 -0.28 0.00 0.02 0.00 0.00 55.36 56.61 1ujd s GLN 96 Cb 0.25 -4.13 0.19 0.00 1.00 0.00 0.00 33.01 30.33 1ujd s GLN 96 CO 0.68 -1.56 1.38 -1.14 -2.12 0.00 0.00 175.29 172.53 1ujd s GLN 97 N 5.17 0.05 -0.44 2.91 2.00 -1.25 -4.89 119.66 123.20 1ujd s GLN 97 Ca 0.77 0.02 0.01 0.00 -2.00 0.00 0.00 55.36 54.16 1ujd s GLN 97 Cb -0.25 0.02 0.20 0.00 0.80 0.00 0.00 33.01 33.78 1ujd s GLN 97 CO 0.32 -0.01 0.88 0.45 -0.50 0.00 0.00 175.29 176.43 1ujd s SER 98 N -0.86 -0.96 0.00 6.67 0.15 -1.26 -5.00 113.70 112.45 1ujd s SER 98 Ca 0.09 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1ujd s SER 98 Cb -0.02 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1ujd s SER 98 CO -0.09 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1ujd n GLY 99 N 2.84 0.30 1.66 9.45 0.00 -1.26 -5.09 105.19 113.09 1ujd n GLY 99 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ujd n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujd n GLU 100 N 0.00 -4.55 -4.26 1.61 4.71 -1.26 -5.04 120.64 111.85 1ujd n GLU 100 Ca 0.00 3.46 -0.14 0.00 -0.01 0.00 0.00 57.16 60.47 1ujd n GLU 100 Cb 0.00 -4.12 -0.10 0.00 -1.01 0.00 0.00 31.44 26.21 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ujd s ALA 101 N -4.56 1.44 -0.10 0.62 0.00 -0.97 -4.95 121.76 113.24 1ujd s ALA 101 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.27 1ujd s ALA 101 Cb 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1ujd s ALA 101 CO 0.00 -0.39 -0.05 -1.21 0.00 0.00 0.00 175.76 174.11 1ujd s GLU 102 N -3.97 3.12 -0.10 0.00 2.02 -1.26 0.18 118.70 118.69 1ujd s GLU 102 Ca 0.29 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.79 1ujd s GLU 102 Cb 0.07 -2.73 -0.00 0.00 0.10 0.00 0.00 34.13 31.57 1ujd s GLU 102 CO 0.07 0.50 -0.22 -1.50 0.02 0.00 0.00 175.26 174.13 1ujd s ILE 103 N -0.36 2.23 -0.30 -1.63 2.07 0.44 0.18 121.20 123.82 1ujd s ILE 103 Ca 0.06 -0.97 -0.08 0.00 -1.41 0.00 0.00 60.65 58.25 1ujd s ILE 103 Cb -0.12 -1.86 0.00 0.00 0.13 0.00 0.00 42.46 40.61 1ujd s ILE 103 CO 0.02 0.56 0.11 0.00 -1.91 0.00 0.00 174.94 173.71 1ujd s VAL 105 N 1.54 3.43 -0.39 0.00 -7.23 -1.21 -1.96 120.40 114.58 1ujd s VAL 105 Ca 0.03 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.22 1ujd s VAL 105 Cb -0.17 -2.83 0.08 0.00 0.56 0.00 0.00 36.38 34.02 1ujd s VAL 105 CO 0.04 -0.37 0.18 -0.60 -0.31 0.00 0.00 175.10 174.04 1ujd s ARG 106 N -3.66 2.40 0.00 4.82 3.52 -1.04 -3.18 118.95 121.81 1ujd s ARG 106 Ca 0.31 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 1ujd s ARG 106 Cb -0.06 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1ujd s ARG 106 CO 0.20 -0.91 0.91 1.28 -0.81 0.00 0.00 175.30 175.98 1ujd n LEU 107 N 4.76 0.00 0.00 -0.88 4.77 0.30 -4.00 117.00 121.96 1ujd n LEU 107 Ca -0.08 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1ujd n LEU 107 Cb 0.43 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ujd n LEU 107 CO 0.34 -0.41 0.00 -0.67 -1.33 0.00 0.00 177.39 175.32 1ujd n ASP 108 N -2.64 -0.82 0.00 -1.43 2.03 -1.23 -4.37 116.55 108.10 1ujd n ASP 108 Ca 0.00 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1ujd n ASP 108 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ujd n ASP 108 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1ujd n LEU 109 N 0.00 0.00 -1.57 -2.67 -0.00 -1.26 -4.87 117.00 106.63 1ujd n LEU 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ujd n LEU 109 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ujd n LEU 109 CO 0.00 0.00 -0.46 0.59 -0.00 0.00 0.00 177.39 177.52 1ujd n ASN 110 N 2.69 -8.49 -4.35 1.96 4.13 -1.26 -4.74 115.26 105.20 1ujd n ASN 110 Ca 0.00 1.43 -0.46 0.00 1.68 0.00 0.00 54.58 57.23 1ujd n ASN 110 Cb 0.00 -4.85 -0.02 0.00 -1.54 0.00 0.00 39.78 33.37 1ujd n ASN 110 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1ujd s MET 111 N -4.29 3.63 -0.01 3.52 -1.94 0.15 -4.63 119.30 115.74 1ujd s MET 111 Ca 0.00 -2.38 -0.01 0.00 -1.71 0.00 0.00 55.69 51.58 1ujd s MET 111 Cb 0.00 -4.52 0.01 0.00 2.01 0.00 0.00 34.83 32.33 1ujd s MET 111 CO 0.00 -1.37 0.03 0.43 -0.01 0.00 0.00 175.02 174.10 1ujd n SER 112 N 4.35 -7.41 -0.94 3.03 7.64 -1.26 -4.53 113.62 114.50 1ujd n SER 112 Ca 0.16 1.53 0.00 0.00 1.01 0.00 0.00 58.87 61.57 1ujd n SER 112 Cb 0.47 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1ujd n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 113 N 1.54 1.25 3.55 0.23 0.00 -1.26 -4.31 105.19 106.20 1ujd n GLY 113 Ca -0.05 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 1ujd n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujd s PRO 114 N 1.60 2.97 0.14 1.61 0.04 -1.26 -4.95 135.00 135.15 1ujd s PRO 114 Ca 0.00 -0.12 0.02 0.00 0.04 0.00 0.00 61.00 60.94 1ujd s PRO 114 Cb 0.00 -4.60 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 1ujd s PRO 114 CO 0.00 -2.55 0.27 -1.54 0.04 0.00 0.00 177.00 173.21 1ujd s SER 115 N 6.09 6.31 0.53 6.66 1.04 -1.26 -5.09 113.70 127.97 1ujd s SER 115 Ca 0.53 0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.96 1ujd s SER 115 Cb -0.08 -1.90 -0.07 0.00 0.10 0.00 0.00 66.02 64.08 1ujd s SER 115 CO 0.10 0.07 1.03 -0.55 0.98 0.00 0.00 173.24 174.87 1ujd s SER 116 N -3.12 6.24 0.00 7.02 0.15 -1.26 -5.29 113.70 117.44 1ujd s SER 116 Ca 0.34 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1ujd s SER 116 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1ujd s SER 116 CO 0.28 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.48