#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufg s SER 2 N 0.00 -0.19 0.09 1.61 1.04 -1.26 -5.10 113.70 109.90 1ufg s SER 2 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1ufg s SER 2 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1ufg s SER 2 CO 0.00 -0.70 0.00 -0.24 0.98 0.00 0.00 173.24 173.28 1ufg n SER 3 N -0.41 0.87 0.00 7.02 2.88 -1.26 -5.16 113.62 117.55 1ufg n SER 3 Ca -0.07 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1ufg n SER 3 Cb 0.61 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1ufg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufg n GLY 4 N 3.31 1.32 3.62 0.46 0.00 -1.26 -5.14 105.19 107.51 1ufg n GLY 4 Ca 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 1ufg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufg s SER 5 N -0.61 -0.11 0.10 1.61 0.15 -1.26 -5.19 113.70 108.39 1ufg s SER 5 Ca 0.00 0.09 -0.26 0.00 0.70 0.00 0.00 55.95 56.48 1ufg s SER 5 Cb 0.00 0.09 0.08 0.00 -1.71 0.00 0.00 66.02 64.48 1ufg s SER 5 CO 0.00 -0.11 0.92 -0.94 1.20 0.00 0.00 173.24 174.30 1ufg s SER 6 N -1.29 -0.26 0.00 5.45 1.04 -1.26 -5.18 113.70 112.19 1ufg s SER 6 Ca 0.07 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1ufg s SER 6 Cb -0.01 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1ufg s SER 6 CO -0.05 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1ufg n GLY 7 N -0.39 5.20 3.64 7.32 0.00 -1.26 -5.17 105.19 114.54 1ufg n GLY 7 Ca -0.07 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 1ufg n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ufg s GLN 8 N 2.76 0.59 -0.29 1.61 0.74 -1.26 -5.17 119.66 118.65 1ufg s GLN 8 Ca 0.00 1.05 -0.31 0.00 0.05 0.00 0.00 55.36 56.14 1ufg s GLN 8 Cb 0.00 0.15 0.19 0.00 1.10 0.00 0.00 33.01 34.44 1ufg s GLN 8 CO 0.00 -0.13 1.38 -1.12 -0.55 0.00 0.00 175.29 174.87 1ufg s SER 9 N 1.60 -0.02 -0.30 6.67 0.01 -1.26 -5.18 113.70 115.22 1ufg s SER 9 Ca -0.09 0.01 -0.23 0.00 1.31 0.00 0.00 55.95 56.95 1ufg s SER 9 Cb -0.05 0.01 0.19 0.00 0.21 0.00 0.00 66.02 66.39 1ufg s SER 9 CO -0.18 -0.02 1.38 0.00 0.41 0.00 0.00 173.24 174.83 1ufg s GLN 10 N -1.24 0.09 0.12 12.44 -2.07 -1.26 -5.19 119.66 122.55 1ufg s GLN 10 Ca 0.10 0.11 -0.03 0.00 -1.82 0.00 0.00 55.36 53.72 1ufg s GLN 10 Cb -0.01 0.04 -0.03 0.00 -1.09 0.00 0.00 33.01 31.92 1ufg s GLN 10 CO -0.07 -0.01 0.09 0.20 -1.32 0.00 0.00 175.29 174.17 1ufg s GLY 11 N 0.24 0.73 0.00 2.60 0.00 -1.26 -5.13 107.32 104.50 1ufg s GLY 11 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1ufg s GLY 11 CO -0.14 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.34 1ufg n GLY 12 N -0.07 0.86 0.00 0.20 0.00 -1.26 -5.14 105.19 99.78 1ufg n GLY 12 Ca -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1ufg n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 13 N 0.65 4.00 3.58 -0.02 0.00 -1.26 -5.18 105.19 106.96 1ufg n GLY 13 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 1ufg n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufg s SER 14 N 0.00 -0.23 -0.23 1.61 1.04 -1.26 -5.17 113.70 109.46 1ufg s SER 14 Ca 0.00 0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 1ufg s SER 14 Cb 0.00 0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.41 1ufg s SER 14 CO 0.00 -0.30 0.55 0.54 0.98 0.00 0.00 173.24 175.01 1ufg s VAL 15 N -1.90 -0.20 -0.17 5.02 0.11 -1.26 -5.15 120.40 116.85 1ufg s VAL 15 Ca 0.05 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1ufg s VAL 15 Cb -0.01 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1ufg s VAL 15 CO -0.04 0.02 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.86 1ufg s THR 16 N 1.81 4.14 -0.20 5.04 2.01 -1.26 -5.08 115.64 122.09 1ufg s THR 16 Ca -0.08 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1ufg s THR 16 Cb -0.08 -2.84 0.04 0.00 0.01 0.00 0.00 72.50 69.63 1ufg s THR 16 CO -0.16 0.47 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.36 1ufg s LYS 17 N 0.52 2.27 0.11 4.92 2.20 -1.26 -5.10 119.74 123.40 1ufg s LYS 17 Ca -0.01 -0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 54.45 1ufg s LYS 17 Cb -0.14 -2.49 0.08 0.00 -1.51 0.00 0.00 37.83 33.76 1ufg s LYS 17 CO 0.02 -0.39 0.66 0.15 -0.36 0.00 0.00 175.35 175.43 1ufg s LYS 18 N 1.34 1.18 -0.42 4.03 3.01 -1.26 -5.13 119.74 122.49 1ufg s LYS 18 Ca -0.01 -0.36 0.02 0.00 -1.01 0.00 0.00 55.97 54.61 1ufg s LYS 18 Cb -0.16 0.54 0.13 0.00 -1.01 0.00 0.00 37.83 37.33 1ufg s LYS 18 CO -0.09 -0.50 0.20 1.03 0.51 0.00 0.00 175.35 176.50 1ufg s ARG 19 N -3.36 1.25 0.14 1.68 0.52 -1.26 -5.09 118.95 112.83 1ufg s ARG 19 Ca 0.00 -1.88 -0.14 0.00 -0.52 0.00 0.00 55.73 53.20 1ufg s ARG 19 Cb -0.01 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1ufg s ARG 19 CO -0.10 -1.11 0.36 -1.59 0.02 0.00 0.00 175.30 172.88 1ufg s LYS 20 N 0.56 1.09 -1.27 3.54 0.00 -1.26 -5.06 119.74 117.34 1ufg s LYS 20 Ca 0.16 -0.85 -0.08 0.00 0.00 0.00 0.00 55.97 55.20 1ufg s LYS 20 Cb -0.23 0.44 0.17 0.00 0.00 0.00 0.00 37.83 38.21 1ufg s LYS 20 CO -0.05 -0.42 1.95 -0.11 0.00 0.00 0.00 175.35 176.72 1ufg n LEU 21 N -0.21 6.95 -4.89 2.77 0.00 -1.26 -4.96 117.00 115.40 1ufg n LEU 21 Ca -0.14 -4.77 -0.35 0.00 0.00 0.00 0.00 56.01 50.75 1ufg n LEU 21 Cb 0.63 -1.43 -0.05 0.00 0.00 0.00 0.00 43.42 42.57 1ufg n LEU 21 CO 0.19 1.57 -0.13 -0.70 0.00 0.00 0.00 177.39 178.33 1ufg s GLU 22 N -0.34 3.50 -0.30 1.96 2.12 -1.26 -5.07 118.70 119.31 1ufg s GLU 22 Ca 0.42 -0.14 -0.11 0.00 0.36 0.00 0.00 54.97 55.49 1ufg s GLU 22 Cb 0.11 -3.14 0.18 0.00 0.26 0.00 0.00 34.13 31.54 1ufg s GLU 22 CO -0.01 0.71 1.02 0.45 -0.54 0.00 0.00 175.26 176.89 1ufg s SER 23 N -1.46 -0.52 -0.12 -1.70 0.15 -1.26 -5.17 113.70 103.62 1ufg s SER 23 Ca 0.22 0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 1ufg s SER 23 Cb -0.13 1.40 0.11 0.00 -1.71 0.00 0.00 66.02 65.69 1ufg s SER 23 CO 0.12 -0.10 0.89 -0.94 1.20 0.00 0.00 173.24 174.41 1ufg s SER 24 N 2.95 -0.46 -0.35 5.45 1.04 -1.26 -5.13 113.70 115.93 1ufg s SER 24 Ca 0.07 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1ufg s SER 24 Cb -0.08 0.38 0.19 0.00 0.10 0.00 0.00 66.02 66.60 1ufg s SER 24 CO -0.15 -0.44 0.80 -1.61 0.98 0.00 0.00 173.24 172.82 1ufg s GLU 25 N -1.21 0.49 0.49 4.02 2.02 -1.26 -5.13 118.70 118.12 1ufg s GLU 25 Ca -0.04 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.84 1ufg s GLU 25 Cb -0.00 0.10 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 1ufg s GLU 25 CO 0.04 -0.77 0.88 -1.12 0.02 0.00 0.00 175.26 174.31 1ufg s SER 26 N 2.23 6.46 -0.39 -0.19 0.01 -1.26 -5.06 113.70 115.51 1ufg s SER 26 Ca 0.16 1.28 0.03 0.00 1.31 0.00 0.00 55.95 58.74 1ufg s SER 26 Cb -0.03 -2.39 0.16 0.00 0.21 0.00 0.00 66.02 63.97 1ufg s SER 26 CO -0.15 -0.56 0.37 -0.60 0.41 0.00 0.00 173.24 172.71 1ufg s ARG 27 N -4.27 0.70 0.01 12.44 3.52 -1.26 -4.60 118.95 125.48 1ufg s ARG 27 Ca 0.54 -1.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1ufg s ARG 27 Cb -0.10 -0.85 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1ufg s ARG 27 CO 0.37 -1.24 0.00 0.45 -0.81 0.00 0.00 175.30 174.08 1ufg n SER 28 N 3.91 -0.07 -3.40 -2.12 2.88 -1.26 -5.05 113.62 108.52 1ufg n SER 28 Ca 0.15 0.10 -0.27 0.00 -1.33 0.00 0.00 58.87 57.52 1ufg n SER 28 Cb 0.45 0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 1ufg n SER 28 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ufg s SER 29 N -2.00 1.88 0.58 -3.46 0.01 -1.26 -5.10 113.70 104.35 1ufg s SER 29 Ca 0.00 -2.64 0.00 0.00 1.31 0.00 0.00 55.95 54.62 1ufg s SER 29 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1ufg s SER 29 CO 0.00 -0.22 0.00 0.49 0.41 0.00 0.00 173.24 173.92 1ufg n PHE 30 N 3.35 -4.12 -0.65 2.43 3.72 -1.26 -4.10 117.46 116.82 1ufg n PHE 30 Ca 0.22 2.24 -0.20 0.00 -0.05 0.00 0.00 57.45 59.66 1ufg n PHE 30 Cb 0.44 -3.50 -0.02 0.00 -0.94 0.00 0.00 39.48 35.46 1ufg n PHE 30 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ufg n SER 31 N -2.92 4.00 -4.32 4.37 2.88 0.23 -4.73 113.62 113.14 1ufg n SER 31 Ca -0.02 -2.30 -0.43 0.00 -1.33 0.00 0.00 58.87 54.80 1ufg n SER 31 Cb 0.51 -1.00 -0.01 0.00 -0.75 0.00 0.00 64.21 62.96 1ufg n SER 31 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ufg n GLN 32 N 4.55 0.04 -3.10 -1.46 7.27 -1.26 -4.20 117.38 119.22 1ufg n GLN 32 Ca 0.38 0.01 -0.05 0.00 0.07 0.00 0.00 57.00 57.42 1ufg n GLN 32 Cb 0.13 -1.03 -0.02 0.00 2.41 0.00 0.00 30.24 31.73 1ufg n GLN 32 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1ufg s HIS 33 N -1.59 -1.33 0.24 3.69 -3.43 -0.61 -4.67 115.29 107.59 1ufg s HIS 33 Ca 0.60 -0.31 0.07 0.00 -0.80 0.00 0.00 55.06 54.62 1ufg s HIS 33 Cb -0.67 0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.59 1ufg s HIS 33 CO 0.62 -1.16 0.12 0.00 -2.00 0.00 0.00 174.74 172.32 1ufg s ALA 34 N 1.37 3.45 -0.23 -1.38 0.00 -1.26 -1.10 121.76 122.60 1ufg s ALA 34 Ca 0.22 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 1ufg s ALA 34 Cb -0.04 -1.15 0.12 0.00 0.00 0.00 0.00 23.12 22.04 1ufg s ALA 34 CO -0.06 0.31 0.47 1.03 0.00 0.00 0.00 175.76 177.50 1ufg s ARG 35 N -3.63 0.39 0.19 0.00 3.00 0.12 -4.94 118.95 114.08 1ufg s ARG 35 Ca 0.32 1.01 -0.10 0.00 0.00 0.00 0.00 55.73 56.95 1ufg s ARG 35 Cb -0.08 0.29 -0.07 0.00 0.00 0.00 0.00 34.95 35.09 1ufg s ARG 35 CO 0.23 -0.35 0.52 0.99 0.00 0.00 0.00 175.30 176.69 1ufg s THR 36 N 2.67 4.95 -0.47 0.02 2.01 -1.26 -0.86 115.64 122.69 1ufg s THR 36 Ca 0.02 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.60 1ufg s THR 36 Cb -0.13 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 68.92 1ufg s THR 36 CO -0.15 0.04 0.63 -0.44 -0.69 0.00 0.00 174.62 174.00 1ufg s SER 37 N -2.17 -0.85 0.00 3.53 0.01 0.53 -4.93 113.70 109.82 1ufg s SER 37 Ca 0.44 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1ufg s SER 37 Cb -0.12 1.47 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1ufg s SER 37 CO 0.21 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1ufg n GLY 38 N 3.27 -0.49 0.13 3.44 0.00 -1.25 -4.34 105.19 105.96 1ufg n GLY 38 Ca 0.18 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1ufg n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufg n ARG 39 N 0.00 0.62 -3.54 1.61 1.74 -1.26 -4.85 116.66 110.97 1ufg n ARG 39 Ca 0.00 0.16 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 1ufg n ARG 39 Cb 0.00 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1ufg n ARG 39 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufg s VAL 40 N -2.50 5.14 0.03 1.55 1.01 -1.26 -1.29 120.40 123.08 1ufg s VAL 40 Ca -0.34 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1ufg s VAL 40 Cb 0.09 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1ufg s VAL 40 CO 0.56 -0.41 0.01 0.00 0.00 0.00 0.00 175.10 175.26 1ufg s ALA 41 N -2.14 0.14 -1.02 5.51 0.00 0.94 -4.59 121.76 120.60 1ufg s ALA 41 Ca 0.39 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 1ufg s ALA 41 Cb -0.10 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1ufg s ALA 41 CO 0.33 -0.24 1.61 0.08 0.00 0.00 0.00 175.76 177.53 1ufg s VAL 42 N -2.23 3.81 0.04 0.00 1.01 -1.26 -0.59 120.40 121.19 1ufg s VAL 42 Ca -0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1ufg s VAL 42 Cb -0.04 -4.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 1ufg s VAL 42 CO -0.03 -1.68 1.14 -0.08 0.00 0.00 0.00 175.10 174.44 1ufg h GLU 43 N 9.96 -0.02 -2.07 2.72 4.22 -1.54 -3.43 114.58 124.43 1ufg h GLU 43 Ca 0.20 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.67 1ufg h GLU 43 Cb 1.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.04 1ufg h GLU 43 CO 1.37 -0.01 -0.08 -2.00 -2.18 0.00 0.00 179.01 176.11 1ufg s GLU 44 N -3.66 0.62 -0.36 1.92 2.56 -0.37 -4.97 118.70 114.44 1ufg s GLU 44 Ca -0.03 1.29 -0.01 0.00 0.00 0.00 0.00 54.97 56.22 1ufg s GLU 44 Cb 0.03 0.44 0.09 0.00 2.00 0.00 0.00 34.13 36.69 1ufg s GLU 44 CO 0.16 -0.18 0.11 0.08 -0.56 0.00 0.00 175.26 174.87 1ufg s VAL 45 N 2.18 2.93 -0.39 3.70 1.01 -1.26 -0.12 120.40 128.45 1ufg s VAL 45 Ca -0.08 -1.96 -0.40 0.00 0.00 0.00 0.00 61.98 59.54 1ufg s VAL 45 Cb -0.08 -2.96 -0.15 0.00 0.00 0.00 0.00 36.38 33.19 1ufg s VAL 45 CO -0.19 -0.51 2.04 -0.67 0.00 0.00 0.00 175.10 175.77 1ufg n ASP 46 N 4.51 1.74 -0.30 3.32 2.03 -0.90 -4.78 116.55 122.17 1ufg n ASP 46 Ca -0.04 0.68 0.03 0.00 0.52 0.00 0.00 54.79 55.99 1ufg n ASP 46 Cb 0.42 -1.11 0.23 0.00 -0.72 0.00 0.00 41.12 39.94 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1ufg h GLU 47 N 9.81 1.02 -0.34 -0.67 4.11 -1.93 0.72 114.58 127.30 1ufg h GLU 47 Ca -0.27 -0.06 0.10 0.00 0.07 0.00 0.00 59.36 59.19 1ufg h GLU 47 Cb 1.35 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1ufg h GLU 47 CO 1.02 0.68 0.36 0.93 0.07 0.00 0.00 179.01 182.07 1ufg h GLU 48 N 1.05 0.00 -2.00 1.06 3.07 -1.86 -3.43 114.58 112.48 1ufg h GLU 48 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1ufg h GLU 48 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1ufg h GLU 48 CO -0.14 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.88 1ufg n GLY 49 N -1.47 0.66 0.48 -3.84 0.00 0.25 -4.15 105.19 97.12 1ufg n GLY 49 Ca 0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 1ufg n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ufg n LYS 50 N -0.90 0.07 -3.50 1.61 5.02 -1.26 -3.93 118.16 115.28 1ufg n LYS 50 Ca 0.00 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 1ufg n LYS 50 Cb 0.33 -0.83 -0.04 0.00 -0.02 0.00 0.00 35.03 34.48 1ufg n LYS 50 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ufg s PHE 51 N -2.06 -0.47 -0.22 2.13 -0.71 -1.26 0.73 117.98 116.11 1ufg s PHE 51 Ca -0.04 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.23 1ufg s PHE 51 Cb 0.01 0.44 0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1ufg s PHE 51 CO 0.06 -0.75 -0.15 0.08 -1.34 0.00 0.00 175.22 173.12 1ufg s VAL 52 N -3.20 2.11 -0.23 -2.49 1.01 -0.35 -2.11 120.40 115.13 1ufg s VAL 52 Ca -0.01 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.52 1ufg s VAL 52 Cb -0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1ufg s VAL 52 CO -0.08 0.22 0.22 -0.13 0.00 0.00 0.00 175.10 175.33 1ufg s ARG 53 N 1.19 4.09 -0.11 2.72 0.52 0.83 0.00 118.95 128.19 1ufg s ARG 53 Ca -0.03 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1ufg s ARG 53 Cb -0.17 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.76 1ufg s ARG 53 CO -0.08 0.03 -0.20 -0.51 0.02 0.00 0.00 175.30 174.56 1ufg s LEU 54 N 1.13 2.31 0.20 2.53 1.43 0.17 -1.23 118.68 125.21 1ufg s LEU 54 Ca 0.10 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1ufg s LEU 54 Cb -0.14 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1ufg s LEU 54 CO 0.05 0.16 -0.22 -0.60 0.23 0.00 0.00 176.35 175.97 1ufg s ARG 55 N 0.37 1.60 -0.25 1.70 3.52 0.24 0.53 118.95 126.66 1ufg s ARG 55 Ca -0.16 -1.51 -0.09 0.00 -0.13 0.00 0.00 55.73 53.84 1ufg s ARG 55 Cb -0.17 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 1ufg s ARG 55 CO 0.07 0.40 0.13 1.21 -0.81 0.00 0.00 175.30 176.30 1ufg s ASN 56 N -2.76 5.70 -0.09 -2.12 3.84 0.10 -0.04 114.94 119.58 1ufg s ASN 56 Ca 0.22 -0.03 0.17 0.00 0.21 0.00 0.00 52.86 53.43 1ufg s ASN 56 Cb -0.08 -2.03 -0.23 0.00 -0.55 0.00 0.00 41.25 38.36 1ufg s ASN 56 CO 0.11 0.02 0.41 0.29 -2.79 0.00 0.00 177.10 175.13 1ufg n LYS 57 N 4.60 0.66 -0.62 0.43 4.76 -0.96 -2.72 118.16 124.30 1ufg n LYS 57 Ca -0.15 0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.10 1ufg n LYS 57 Cb 0.52 -1.65 0.25 0.00 -1.84 0.00 0.00 35.03 32.31 1ufg n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ufg s SER 58 N -5.61 1.07 -0.13 4.39 0.15 -0.41 -4.79 113.70 108.36 1ufg s SER 58 Ca -0.07 1.45 0.15 0.00 0.70 0.00 0.00 55.95 58.17 1ufg s SER 58 Cb 0.08 -2.23 0.49 0.00 -1.71 0.00 0.00 66.02 62.65 1ufg s SER 58 CO 0.83 -4.13 1.40 -0.46 1.20 0.00 0.00 173.24 172.07 1ufg n ASN 59 N -4.87 3.72 -3.92 5.45 6.94 -1.26 -3.48 115.26 117.84 1ufg n ASN 59 Ca 0.03 -2.72 -0.23 0.00 -0.02 0.00 0.00 54.58 51.64 1ufg n ASN 59 Cb 0.55 -0.47 -0.17 0.00 -2.36 0.00 0.00 39.78 37.34 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1ufg s GLU 60 N -2.30 1.16 -0.40 -3.83 -1.05 -1.26 -4.84 118.70 106.18 1ufg s GLU 60 Ca 0.38 -0.19 -0.41 0.00 -0.15 0.00 0.00 54.97 54.59 1ufg s GLU 60 Cb 0.28 -1.12 -0.16 0.00 -0.44 0.00 0.00 34.13 32.69 1ufg s GLU 60 CO 0.11 -0.10 1.96 -0.25 0.95 0.00 0.00 175.26 177.94 1ufg n ASP 61 N 4.22 1.62 -4.59 0.83 8.00 -1.26 -4.41 116.55 120.95 1ufg n ASP 61 Ca -0.21 0.80 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 1ufg n ASP 61 Cb 0.51 -1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.48 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1ufg s GLN 62 N 4.93 3.83 0.34 -1.24 2.00 0.57 -4.90 119.66 125.18 1ufg s GLN 62 Ca 1.09 0.14 -0.27 0.00 -2.00 0.00 0.00 55.36 54.32 1ufg s GLN 62 Cb -1.22 -3.75 -0.09 0.00 0.80 0.00 0.00 33.01 28.75 1ufg s GLN 62 CO 0.64 -0.57 1.08 0.45 -0.50 0.00 0.00 175.29 176.39 1ufg s SER 63 N 1.68 7.00 -0.16 6.67 0.15 -1.26 0.26 113.70 128.04 1ufg s SER 63 Ca 0.22 2.16 0.20 0.00 0.70 0.00 0.00 55.95 59.24 1ufg s SER 63 Cb -0.15 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 62.01 1ufg s SER 63 CO 0.12 -0.33 1.16 0.23 1.20 0.00 0.00 173.24 175.62 1ufg n MET 64 N 0.55 1.30 -1.13 5.44 0.00 -0.56 -4.85 117.12 117.88 1ufg n MET 64 Ca 0.02 -3.00 -0.28 0.00 0.00 0.00 0.00 57.70 54.45 1ufg n MET 64 Cb 0.47 -1.09 -0.08 0.00 0.00 0.00 0.00 33.22 32.53 1ufg n MET 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ufg n GLY 65 N -0.27 3.66 0.00 3.03 0.00 -1.13 -2.98 105.19 107.50 1ufg n GLY 65 Ca 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1ufg n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ufg n ASN 66 N 3.25 0.00 -4.13 1.61 5.03 -1.24 -4.46 115.26 115.33 1ufg n ASN 66 Ca 0.62 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.72 1ufg n ASN 66 Cb 0.45 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.29 1ufg n ASN 66 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1ufg n TRP 67 N 0.00 -2.92 -4.06 3.10 7.02 -1.16 -4.40 117.44 115.02 1ufg n TRP 67 Ca 0.00 0.22 -0.10 0.00 -1.02 0.00 0.00 57.50 56.60 1ufg n TRP 67 Cb 0.00 -1.51 -0.06 0.00 -2.42 0.00 0.00 31.31 27.32 1ufg n TRP 67 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1ufg s GLN 68 N -2.55 1.49 -0.09 -0.99 -0.21 0.97 0.45 119.66 118.73 1ufg s GLN 68 Ca 0.45 -1.41 -0.00 0.00 0.02 0.00 0.00 55.36 54.42 1ufg s GLN 68 Cb -0.10 0.41 0.02 0.00 1.00 0.00 0.00 33.01 34.34 1ufg s GLN 68 CO 0.73 -0.59 -0.07 0.42 -2.12 0.00 0.00 175.29 173.66 1ufg s ILE 69 N -3.95 0.88 -0.06 1.08 1.01 0.63 0.07 121.20 120.86 1ufg s ILE 69 Ca 0.28 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1ufg s ILE 69 Cb 0.01 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 1ufg s ILE 69 CO 0.11 0.33 0.29 -0.13 0.00 0.00 0.00 174.94 175.55 1ufg s ARG 70 N 1.53 3.77 -0.09 2.79 0.52 0.15 0.17 118.95 127.78 1ufg s ARG 70 Ca 0.01 0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1ufg s ARG 70 Cb -0.13 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 32.16 1ufg s ARG 70 CO -0.05 0.68 0.09 0.50 0.02 0.00 0.00 175.30 176.54 1ufg s ARG 71 N -0.92 -0.01 -0.26 3.54 6.06 0.16 -0.32 118.95 127.21 1ufg s ARG 71 Ca 0.20 0.26 -0.04 0.00 -2.50 0.00 0.00 55.73 53.64 1ufg s ARG 71 Cb -0.15 -0.91 0.09 0.00 0.06 0.00 0.00 34.95 34.05 1ufg s ARG 71 CO 0.09 -0.44 0.13 -1.14 -2.50 0.00 0.00 175.30 171.43 1ufg s GLN 72 N 2.18 0.16 -0.02 5.12 -0.44 -0.82 -1.24 119.66 124.61 1ufg s GLN 72 Ca 0.04 -0.38 0.07 0.00 -2.50 0.00 0.00 55.36 52.59 1ufg s GLN 72 Cb -0.13 -1.32 -0.02 0.00 -1.64 0.00 0.00 33.01 29.90 1ufg s GLN 72 CO -0.06 -0.92 -0.25 -0.80 0.50 0.00 0.00 175.29 173.77 1ufg s ASN 73 N 2.13 2.92 0.00 6.67 0.01 -1.26 -3.02 114.94 122.38 1ufg s ASN 73 Ca 0.07 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1ufg s ASN 73 Cb -0.16 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.13 1ufg s ASN 73 CO -0.29 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 1ufg n GLY 74 N 2.52 0.62 3.31 0.66 0.00 -0.50 -2.59 105.19 109.21 1ufg n GLY 74 Ca -0.16 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1ufg n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ufg n ASP 75 N -3.50 4.63 -4.15 1.61 2.03 -1.26 -4.89 116.55 111.02 1ufg n ASP 75 Ca 0.00 -2.90 -0.10 0.00 0.52 0.00 0.00 54.79 52.31 1ufg n ASP 75 Cb 0.00 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 38.59 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ufg s ASP 76 N 3.82 0.85 -0.38 1.67 1.11 -1.07 -5.11 116.67 117.56 1ufg s ASP 76 Ca 0.51 -1.04 -0.29 0.00 0.18 0.00 0.00 52.55 51.92 1ufg s ASP 76 Cb 0.07 0.15 0.01 0.00 1.07 0.00 0.00 42.92 44.22 1ufg s ASP 76 CO 0.03 -0.54 1.39 -2.16 1.18 0.00 0.00 175.17 175.06 1ufg s PRO 77 N -3.89 3.66 -0.05 8.23 0.04 -1.26 -4.74 135.00 137.00 1ufg s PRO 77 Ca 0.12 1.03 -0.34 0.00 0.04 0.00 0.00 61.00 61.85 1ufg s PRO 77 Cb 0.06 -3.99 -0.12 0.00 0.04 0.00 0.00 34.50 30.49 1ufg s PRO 77 CO -0.05 -1.45 1.84 -0.11 0.04 0.00 0.00 177.00 177.26 1ufg n LEU 78 N 8.52 3.41 -4.73 -3.56 7.94 -1.26 -4.92 117.00 122.41 1ufg n LEU 78 Ca 0.16 0.99 -0.33 0.00 -1.11 0.00 0.00 56.01 55.72 1ufg n LEU 78 Cb 0.48 -1.38 -0.08 0.00 0.53 0.00 0.00 43.42 42.96 1ufg n LEU 78 CO 0.68 -0.09 -0.29 -0.04 -1.11 0.00 0.00 177.39 176.55 1ufg s MET 79 N 3.57 2.95 -0.47 1.96 -1.94 -0.37 -4.93 119.30 120.08 1ufg s MET 79 Ca 0.90 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 54.42 1ufg s MET 79 Cb -0.69 -2.78 0.13 0.00 2.01 0.00 0.00 34.83 33.50 1ufg s MET 79 CO 0.49 0.66 0.23 0.99 -0.01 0.00 0.00 175.02 177.38 1ufg s THR 80 N -1.08 2.14 -0.80 2.05 2.01 -1.25 -0.67 115.64 118.04 1ufg s THR 80 Ca 0.19 -2.94 -0.25 0.00 0.31 0.00 0.00 61.69 59.00 1ufg s THR 80 Cb -0.12 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1ufg s THR 80 CO 0.09 -0.81 1.72 -0.47 -0.69 0.00 0.00 174.62 174.46 1ufg s TYR 81 N 0.07 1.96 -0.27 4.92 5.04 0.13 -4.73 117.35 124.47 1ufg s TYR 81 Ca 0.16 0.31 -0.29 0.00 -2.44 0.00 0.00 57.07 54.82 1ufg s TYR 81 Cb -0.25 -4.27 0.01 0.00 0.35 0.00 0.00 41.96 37.80 1ufg s TYR 81 CO -0.01 -2.02 1.12 0.50 -1.34 0.00 0.00 175.55 173.79 1ufg s ARG 82 N 6.46 4.13 1.07 4.97 3.52 -1.26 -0.27 118.95 137.56 1ufg s ARG 82 Ca 0.59 1.26 -0.12 0.00 -0.13 0.00 0.00 55.73 57.33 1ufg s ARG 82 Cb -0.08 -3.73 0.23 0.00 -1.56 0.00 0.00 34.95 29.81 1ufg s ARG 82 CO 0.08 -0.83 1.06 -0.06 -0.81 0.00 0.00 175.30 174.74 1ufg s PHE 83 N 3.60 1.60 0.42 5.12 0.08 0.17 -4.95 117.98 124.02 1ufg s PHE 83 Ca 0.48 1.28 -0.23 0.00 0.12 0.00 0.00 56.93 58.58 1ufg s PHE 83 Cb -0.15 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.05 1ufg s PHE 83 CO 0.14 -3.40 1.05 -1.25 -0.10 0.00 0.00 175.22 171.65 1ufg s PRO 84 N -4.61 4.07 0.00 0.24 0.04 -1.26 -4.20 135.00 129.28 1ufg s PRO 84 Ca 0.67 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1ufg s PRO 84 Cb -0.23 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1ufg s PRO 84 CO 0.62 -0.22 0.54 -0.35 0.04 0.00 0.00 177.00 177.63 1ufg n PRO 85 N -0.29 0.75 -2.64 0.56 -0.04 -1.26 -2.69 135.00 129.38 1ufg n PRO 85 Ca 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1ufg n PRO 85 Cb 0.50 -1.21 0.04 0.00 -0.04 0.00 0.00 33.50 32.79 1ufg n PRO 85 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ufg n LYS 86 N -0.15 2.14 -4.29 0.54 4.01 -1.26 -4.67 118.16 114.48 1ufg n LYS 86 Ca 0.00 -3.66 -0.24 0.00 -0.51 0.00 0.00 58.31 53.90 1ufg n LYS 86 Cb 0.11 -1.75 -0.13 0.00 -0.51 0.00 0.00 35.03 32.76 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1ufg s PHE 87 N -3.71 1.80 -0.25 2.13 2.19 -1.10 -5.02 117.98 114.03 1ufg s PHE 87 Ca 0.33 -0.42 -0.05 0.00 0.33 0.00 0.00 56.93 57.12 1ufg s PHE 87 Cb 0.35 -0.99 0.13 0.00 -1.31 0.00 0.00 43.02 41.21 1ufg s PHE 87 CO -0.02 0.21 0.48 0.99 1.83 0.00 0.00 175.22 178.71 1ufg s THR 88 N -1.16 -0.77 -0.70 0.12 2.01 -1.26 -1.50 115.64 112.38 1ufg s THR 88 Ca 0.07 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 1ufg s THR 88 Cb -0.10 -0.84 0.05 0.00 0.01 0.00 0.00 72.50 71.62 1ufg s THR 88 CO 0.04 -0.02 1.13 -0.22 -0.69 0.00 0.00 174.62 174.86 1ufg s LEU 89 N 2.69 3.74 1.11 4.42 2.96 0.14 -4.90 118.68 128.84 1ufg s LEU 89 Ca 0.08 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.10 1ufg s LEU 89 Cb -0.14 -2.50 0.11 0.00 0.50 0.00 0.00 46.19 44.16 1ufg s LEU 89 CO -0.17 -1.65 -0.03 0.29 -1.32 0.00 0.00 176.35 173.47 1ufg n LYS 90 N 8.59 -1.72 -2.58 1.98 5.02 -1.26 -0.32 118.16 127.87 1ufg n LYS 90 Ca -0.00 -0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 1ufg n LYS 90 Cb 0.47 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1ufg n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ufg s ALA 91 N -2.19 3.42 -0.00 7.82 0.00 -1.26 -2.64 121.76 126.90 1ufg s ALA 91 Ca 0.52 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1ufg s ALA 91 Cb -0.09 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1ufg s ALA 91 CO 0.61 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1ufg n GLY 92 N 3.20 0.48 3.96 0.00 0.00 -1.10 -4.95 105.19 106.77 1ufg n GLY 92 Ca 0.09 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1ufg n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufg s GLN 93 N -0.13 1.89 0.06 1.61 1.11 -1.08 -4.76 119.66 118.35 1ufg s GLN 93 Ca 0.00 -0.72 -0.09 0.00 0.01 0.00 0.00 55.36 54.57 1ufg s GLN 93 Cb 0.00 -2.26 -0.00 0.00 -1.01 0.00 0.00 33.01 29.74 1ufg s GLN 93 CO 0.00 -1.35 0.18 0.54 0.01 0.00 0.00 175.29 174.68 1ufg s VAL 94 N -3.18 0.13 -0.02 1.09 0.11 -1.26 0.02 120.40 117.29 1ufg s VAL 94 Ca 0.63 -1.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1ufg s VAL 94 Cb -0.08 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1ufg s VAL 94 CO 0.44 -0.58 0.17 0.54 -3.33 0.00 0.00 175.10 172.34 1ufg s VAL 95 N -3.16 0.06 -0.12 2.04 0.11 0.19 -4.81 120.40 114.71 1ufg s VAL 95 Ca -0.00 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1ufg s VAL 95 Cb 0.02 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1ufg s VAL 95 CO -0.07 -0.28 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.34 1ufg s THR 96 N -1.04 1.78 -0.76 5.04 2.01 -0.50 0.42 115.64 122.58 1ufg s THR 96 Ca -0.11 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 1ufg s THR 96 Cb -0.06 -1.59 0.19 0.00 0.01 0.00 0.00 72.50 71.05 1ufg s THR 96 CO 0.02 0.50 0.60 -0.63 -0.69 0.00 0.00 174.62 174.41 1ufg s ILE 97 N 0.82 3.79 0.88 1.82 1.09 0.10 0.10 121.20 129.80 1ufg s ILE 97 Ca -0.09 -3.65 -0.11 0.00 -1.10 0.00 0.00 60.65 55.70 1ufg s ILE 97 Cb -0.16 -3.42 0.12 0.00 -1.06 0.00 0.00 42.46 37.95 1ufg s ILE 97 CO -0.00 -0.99 1.11 0.26 -0.10 0.00 0.00 174.94 175.22 1ufg s TRP 98 N -0.94 2.00 -0.11 3.97 0.52 0.31 -1.21 118.94 123.48 1ufg s TRP 98 Ca 0.23 1.61 -0.05 0.00 0.02 0.00 0.00 56.10 57.92 1ufg s TRP 98 Cb -0.12 -3.20 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 1ufg s TRP 98 CO -0.10 -2.50 0.08 0.00 0.02 0.00 0.00 176.95 174.45 1ufg s ALA 99 N -2.75 3.60 0.26 0.98 0.00 0.22 -0.22 121.76 123.86 1ufg s ALA 99 Ca 0.65 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1ufg s ALA 99 Cb -0.20 -1.76 0.56 0.00 0.00 0.00 0.00 23.12 21.72 1ufg s ALA 99 CO 0.58 0.58 1.37 0.45 0.00 0.00 0.00 175.76 178.73 1ufg n SER 100 N 2.15 -0.19 -0.08 0.00 2.88 0.68 0.18 113.62 119.24 1ufg n SER 100 Ca -0.19 1.50 -0.07 0.00 -1.33 0.00 0.00 58.87 58.77 1ufg n SER 100 Cb 0.54 -0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1ufg n SER 100 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ufg h GLY 101 N 0.00 0.37 -0.94 0.46 0.00 0.12 -2.53 103.07 100.56 1ufg h GLY 101 Ca 0.49 -0.05 0.15 0.00 0.00 0.00 0.00 47.33 47.91 1ufg h GLY 101 CO -0.86 0.02 -0.40 0.00 0.00 0.00 0.00 176.54 175.30 1ufg h ALA 102 N 1.20 0.10 0.00 3.60 0.00 0.16 -3.45 119.26 120.87 1ufg h ALA 102 Ca 0.14 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ufg h ALA 102 Cb 0.12 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ufg h ALA 102 CO -0.15 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 178.86 1ufg n GLY 103 N -1.46 0.84 0.00 0.00 0.00 -0.95 -5.02 105.19 98.60 1ufg n GLY 103 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 104 N -0.63 0.00 -3.96 4.61 0.00 -1.26 -5.00 120.51 114.27 1ufg n ALA 104 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ufg n ALA 104 Cb 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 1ufg n ALA 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ufg s THR 105 N -0.10 1.49 -0.24 0.00 2.01 -1.26 -5.08 115.64 112.46 1ufg s THR 105 Ca 0.00 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 1ufg s THR 105 Cb 0.00 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.79 1ufg s THR 105 CO 0.00 0.09 2.17 1.57 -0.69 0.00 0.00 174.62 177.75 1ufg n HIS 106 N 4.72 1.89 -3.09 4.92 -0.00 -1.26 -4.68 115.22 117.73 1ufg n HIS 106 Ca -0.13 0.03 -0.19 0.00 0.46 0.00 0.00 57.72 57.89 1ufg n HIS 106 Cb 0.46 -2.65 -0.03 0.00 -0.12 0.00 0.00 29.99 27.65 1ufg n HIS 106 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ufg n SER 107 N 10.32 -0.29 -4.79 0.26 7.64 -1.18 -4.98 113.62 120.60 1ufg n SER 107 Ca 0.33 -2.96 -0.29 0.00 1.01 0.00 0.00 58.87 56.97 1ufg n SER 107 Cb 0.35 -0.07 0.13 0.00 -1.01 0.00 0.00 64.21 63.61 1ufg n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ufg s PRO 108 N -1.15 1.29 0.17 1.43 0.04 0.11 0.20 135.00 137.09 1ufg s PRO 108 Ca 0.35 0.33 0.24 0.00 0.04 0.00 0.00 61.00 61.96 1ufg s PRO 108 Cb 0.24 -1.85 0.91 0.00 0.04 0.00 0.00 34.50 33.84 1ufg s PRO 108 CO -0.12 -2.11 1.73 -0.35 0.04 0.00 0.00 177.00 176.20 1ufg n PRO 109 N -3.71 0.17 0.00 0.56 -0.04 -1.26 -4.70 135.00 126.01 1ufg n PRO 109 Ca 0.07 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1ufg n PRO 109 Cb 0.59 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1ufg n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ufg n THR 110 N -2.04 0.00 -2.98 0.52 -2.24 -1.18 -4.69 114.28 101.67 1ufg n THR 110 Ca 0.04 1.28 -0.33 0.00 -2.27 0.00 0.00 64.05 62.77 1ufg n THR 110 Cb 0.31 -2.18 -0.06 0.00 -2.10 0.00 0.00 70.33 66.30 1ufg n THR 110 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ufg s ASP 111 N -2.20 6.82 -0.02 3.42 1.01 0.55 -1.42 116.67 124.83 1ufg s ASP 111 Ca 0.00 1.44 -0.09 0.00 0.71 0.00 0.00 52.55 54.61 1ufg s ASP 111 Cb 0.00 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1ufg s ASP 111 CO 0.00 -0.28 0.20 -0.76 0.21 0.00 0.00 175.17 174.53 1ufg s LEU 112 N -3.12 1.31 -0.15 1.23 1.43 0.28 0.07 118.68 119.73 1ufg s LEU 112 Ca 0.57 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1ufg s LEU 112 Cb -0.10 0.83 0.02 0.00 0.03 0.00 0.00 46.19 46.97 1ufg s LEU 112 CO 0.17 -0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 175.59 1ufg s VAL 113 N -1.02 1.62 -0.78 -1.59 1.01 -1.26 0.11 120.40 118.49 1ufg s VAL 113 Ca -0.11 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1ufg s VAL 113 Cb -0.06 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.87 1ufg s VAL 113 CO 0.02 0.47 1.20 0.86 0.00 0.00 0.00 175.10 177.65 1ufg s TRP 114 N 1.43 2.52 -0.02 5.22 -0.11 0.70 -4.82 118.94 123.86 1ufg s TRP 114 Ca 0.04 -0.46 -0.21 0.00 1.22 0.00 0.00 56.10 56.69 1ufg s TRP 114 Cb -0.13 -4.51 -0.24 0.00 -1.50 0.00 0.00 33.47 27.09 1ufg s TRP 114 CO -0.10 -1.87 1.05 0.87 -4.62 0.00 0.00 176.95 172.28 1ufg h LYS 115 N 9.74 0.33 -0.06 5.86 1.57 -1.95 0.19 116.57 132.26 1ufg h LYS 115 Ca -0.16 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1ufg h LYS 115 Cb 1.05 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1ufg h LYS 115 CO 1.26 1.07 -0.03 0.00 -0.57 0.00 0.00 179.45 181.18 1ufg n ALA 116 N -2.58 -0.04 -1.62 3.86 0.00 -1.26 -4.47 120.51 114.40 1ufg n ALA 116 Ca -0.11 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1ufg n ALA 116 Cb 0.64 0.38 0.18 0.00 0.00 0.00 0.00 19.45 20.65 1ufg n ALA 116 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ufg s GLN 117 N -3.17 0.41 -0.03 0.00 1.03 -1.26 -5.01 119.66 111.64 1ufg s GLN 117 Ca -0.01 -0.11 0.05 0.00 0.04 0.00 0.00 55.36 55.33 1ufg s GLN 117 Cb 0.01 -1.79 -0.07 0.00 0.03 0.00 0.00 33.01 31.19 1ufg s GLN 117 CO 0.04 -2.62 0.07 0.27 -2.54 0.00 0.00 175.29 170.51 1ufg n ASN 118 N -3.98 3.84 -3.64 12.60 6.94 -1.26 -4.15 115.26 125.61 1ufg n ASN 118 Ca 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.65 1ufg n ASN 118 Cb 0.60 0.94 -0.05 0.00 -2.36 0.00 0.00 39.78 38.91 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ufg s THR 119 N -2.24 -0.67 0.30 5.53 -1.32 -1.26 0.16 115.64 116.13 1ufg s THR 119 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1ufg s THR 119 Cb 0.02 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.42 1ufg s THR 119 CO 0.20 0.00 1.58 -0.50 -2.21 0.00 0.00 174.62 173.69 1ufg h TRP 120 N 7.65 -0.09 0.00 9.09 4.06 -1.89 -3.45 115.95 131.32 1ufg h TRP 120 Ca -0.22 0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.81 1ufg h TRP 120 Cb 1.14 0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.50 1ufg h TRP 120 CO 0.13 -0.42 0.00 0.41 -3.56 0.00 0.00 178.44 175.00 1ufg n GLY 121 N -1.50 4.79 2.39 1.49 0.00 -1.26 -4.87 105.19 106.23 1ufg n GLY 121 Ca 0.22 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1ufg n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n GLY 123 N 0.92 3.64 0.32 0.00 0.00 -1.26 -4.60 105.19 104.20 1ufg n GLY 123 Ca -0.13 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1ufg n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufg h SER 124 N 0.00 0.11 -3.45 1.61 4.64 -1.95 -3.37 113.55 111.14 1ufg h SER 124 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1ufg h SER 124 Cb 0.00 -0.02 -0.27 0.00 -0.31 0.00 0.00 62.40 61.79 1ufg h SER 124 CO 0.00 0.07 -0.71 -0.94 -0.87 0.00 0.00 176.83 174.39 1ufg s SER 125 N -6.65 4.45 0.09 4.97 1.04 -1.26 0.33 113.70 116.67 1ufg s SER 125 Ca -0.06 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1ufg s SER 125 Cb 0.18 -1.76 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1ufg s SER 125 CO 0.71 -0.04 -0.08 -0.76 0.98 0.00 0.00 173.24 174.04 1ufg s LEU 126 N 1.48 2.42 -0.30 2.42 1.43 0.70 -1.41 118.68 125.42 1ufg s LEU 126 Ca 0.05 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1ufg s LEU 126 Cb -0.15 -0.16 0.17 0.00 0.03 0.00 0.00 46.19 46.08 1ufg s LEU 126 CO -0.02 -0.34 0.62 -0.60 0.23 0.00 0.00 176.35 176.24 1ufg s ARG 127 N -3.00 0.56 0.14 1.70 3.52 -1.17 -1.07 118.95 119.64 1ufg s ARG 127 Ca 0.05 1.12 0.06 0.00 -0.13 0.00 0.00 55.73 56.82 1ufg s ARG 127 Cb -0.01 0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 33.98 1ufg s ARG 127 CO -0.02 -0.49 0.05 0.99 -0.81 0.00 0.00 175.30 175.01 1ufg s THR 128 N 2.87 4.12 0.07 4.11 2.01 -0.49 -1.95 115.64 126.38 1ufg s THR 128 Ca 0.13 -1.14 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 1ufg s THR 128 Cb -0.14 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 1ufg s THR 128 CO -0.20 -0.03 0.18 0.00 -0.69 0.00 0.00 174.62 173.88 1ufg s ALA 129 N -1.59 -0.23 -0.07 7.40 0.00 0.57 -0.25 121.76 127.59 1ufg s ALA 129 Ca 0.28 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1ufg s ALA 129 Cb -0.10 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1ufg s ALA 129 CO 0.20 -0.47 -0.20 -1.17 0.00 0.00 0.00 175.76 174.12 1ufg s LEU 130 N -2.67 1.96 0.11 0.00 2.96 0.43 0.31 118.68 121.78 1ufg s LEU 130 Ca 0.02 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1ufg s LEU 130 Cb 0.03 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1ufg s LEU 130 CO -0.09 0.14 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.34 1ufg s ILE 131 N 0.27 3.27 0.00 6.68 -1.09 0.11 -0.75 121.20 129.70 1ufg s ILE 131 Ca -0.13 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 56.96 1ufg s ILE 131 Cb -0.16 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 1ufg s ILE 131 CO 0.06 0.09 0.00 -0.46 -1.23 0.00 0.00 174.94 173.40 1ufg n ASN 132 N 0.67 0.27 -0.20 3.58 0.23 -0.55 -0.02 115.26 119.25 1ufg n ASN 132 Ca -0.14 -0.81 -0.05 0.00 -0.53 0.00 0.00 54.58 53.05 1ufg n ASN 132 Cb 0.53 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.18 1ufg n ASN 132 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ufg n SER 133 N -2.20 -0.51 -4.89 0.53 3.41 -1.26 -4.40 113.62 104.31 1ufg n SER 133 Ca 0.00 1.19 -0.29 0.00 -0.26 0.00 0.00 58.87 59.50 1ufg n SER 133 Cb 0.00 -0.28 0.04 0.00 -0.26 0.00 0.00 64.21 63.71 1ufg n SER 133 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ufg s THR 134 N -4.42 3.77 -0.58 6.66 -1.32 -1.26 -4.75 115.64 113.74 1ufg s THR 134 Ca -0.06 0.43 -0.13 0.00 -1.21 0.00 0.00 61.69 60.72 1ufg s THR 134 Cb 0.05 -3.55 -0.12 0.00 -1.51 0.00 0.00 72.50 67.38 1ufg s THR 134 CO 0.30 -0.68 1.77 0.61 -2.21 0.00 0.00 174.62 174.41 1ufg n GLY 135 N -2.85 2.32 2.80 6.08 0.00 -1.26 -4.75 105.19 107.54 1ufg n GLY 135 Ca 0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1ufg n GLY 135 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufg s GLU 136 N 4.69 -0.02 0.38 1.61 2.12 -1.26 -5.03 118.70 121.18 1ufg s GLU 136 Ca 0.42 0.13 -0.24 0.00 0.36 0.00 0.00 54.97 55.64 1ufg s GLU 136 Cb 0.10 -0.17 -0.10 0.00 0.26 0.00 0.00 34.13 34.22 1ufg s GLU 136 CO 0.07 -0.12 0.97 -2.00 -0.54 0.00 0.00 175.26 173.65 1ufg s GLU 137 N 0.74 4.35 -0.04 4.30 2.12 -1.26 -1.48 118.70 127.44 1ufg s GLU 137 Ca -0.06 1.30 0.01 0.00 0.36 0.00 0.00 54.97 56.58 1ufg s GLU 137 Cb -0.09 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 1ufg s GLU 137 CO -0.02 0.06 -0.02 1.33 -0.54 0.00 0.00 175.26 176.07 1ufg n VAL 138 N -0.03 0.26 -3.90 3.70 0.24 0.07 -4.91 118.33 113.77 1ufg n VAL 138 Ca 0.05 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.14 1ufg n VAL 138 Cb 0.51 -0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 32.05 1ufg n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ufg s ALA 139 N -2.09 -0.10 0.03 2.33 0.00 -1.24 0.20 121.76 120.89 1ufg s ALA 139 Ca -0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1ufg s ALA 139 Cb 0.01 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1ufg s ALA 139 CO 0.12 -0.50 0.25 0.00 0.00 0.00 0.00 175.76 175.63 1ufg s MET 140 N -3.88 0.71 -0.32 0.00 0.23 -0.04 -0.43 119.30 115.57 1ufg s MET 140 Ca 0.06 -0.49 -0.01 0.00 -1.03 0.00 0.00 55.69 54.22 1ufg s MET 140 Cb 0.05 0.31 0.12 0.00 -1.53 0.00 0.00 34.83 33.78 1ufg s MET 140 CO -0.10 -0.21 0.19 0.50 -2.03 0.00 0.00 175.02 173.37 1ufg s ARG 141 N -2.24 0.39 0.52 3.16 3.52 0.66 0.13 118.95 125.08 1ufg s ARG 141 Ca -0.07 -0.93 -0.09 0.00 -0.13 0.00 0.00 55.73 54.50 1ufg s ARG 141 Cb -0.02 -1.19 -0.05 0.00 -1.56 0.00 0.00 34.95 32.13 1ufg s ARG 141 CO -0.02 -1.13 0.89 0.21 -0.81 0.00 0.00 175.30 174.44 1ufg s LYS 142 N 1.56 3.65 -0.28 5.12 2.36 -0.26 -1.40 119.74 130.49 1ufg s LYS 142 Ca 0.14 0.52 -0.01 0.00 -2.55 0.00 0.00 55.97 54.07 1ufg s LYS 142 Cb -0.19 -2.25 0.17 0.00 -1.05 0.00 0.00 37.83 34.50 1ufg s LYS 142 CO -0.16 -0.31 0.49 -0.51 1.55 0.00 0.00 175.35 176.41 1ufg s LEU 143 N -4.66 -1.05 -0.21 5.43 1.43 -0.23 -1.57 118.68 117.81 1ufg s LEU 143 Ca 0.52 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1ufg s LEU 143 Cb -0.10 1.62 0.01 0.00 0.03 0.00 0.00 46.19 47.75 1ufg s LEU 143 CO 0.44 -0.29 -0.11 -0.69 0.23 0.00 0.00 176.35 175.93 1ufg s VAL 144 N 2.70 2.72 0.26 -1.59 1.01 -1.26 -0.22 120.40 124.02 1ufg s VAL 144 Ca 0.15 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1ufg s VAL 144 Cb -0.14 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 1ufg s VAL 144 CO -0.21 0.42 0.99 -0.60 0.00 0.00 0.00 175.10 175.70 1ufg s ARG 145 N 1.37 4.75 0.49 2.72 3.52 0.15 0.77 118.95 132.72 1ufg s ARG 145 Ca 0.04 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1ufg s ARG 145 Cb -0.14 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1ufg s ARG 145 CO -0.07 0.39 0.00 0.43 -0.81 0.00 0.00 175.30 175.24 1ufg n SER 146 N 1.26 -0.03 0.00 -2.12 7.64 -1.26 -4.89 113.62 114.22 1ufg n SER 146 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ufg n SER 146 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1ufg n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufg n GLY 147 N 0.00 3.20 3.58 0.23 0.00 -1.26 -4.68 105.19 106.26 1ufg n GLY 147 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1ufg n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufg s PRO 148 N 3.18 3.21 -0.11 1.61 0.04 -1.26 -4.57 135.00 137.10 1ufg s PRO 148 Ca 0.00 -1.39 -0.13 0.00 0.04 0.00 0.00 61.00 59.51 1ufg s PRO 148 Cb 0.00 -5.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.14 1ufg s PRO 148 CO 0.00 -3.04 -0.26 0.45 0.04 0.00 0.00 177.00 174.19 1ufg n SER 149 N 11.38 1.68 -4.88 6.66 2.88 -1.26 -5.02 113.62 125.05 1ufg n SER 149 Ca 0.45 0.27 -0.30 0.00 -1.33 0.00 0.00 58.87 57.96 1ufg n SER 149 Cb 0.47 -0.64 0.03 0.00 -0.75 0.00 0.00 64.21 63.32 1ufg n SER 149 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufg s SER 150 N -5.86 5.80 0.00 -3.46 0.15 -1.26 -5.32 113.70 103.75 1ufg s SER 150 Ca -0.21 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1ufg s SER 150 Cb 0.03 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1ufg s SER 150 CO 0.32 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.26