#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 3.56 -0.42 1.61 0.15 -1.26 -5.08 113.70 112.25 1ufg s SER 2 Ca 0.00 -1.44 -0.02 0.00 0.70 0.00 0.00 55.95 55.20 1ufg s SER 2 Cb 0.00 -0.43 0.11 0.00 -1.71 0.00 0.00 66.02 63.99 1ufg s SER 2 CO 0.00 -0.42 0.20 -0.94 1.20 0.00 0.00 173.24 173.28 1ufg s SER 3 N 1.92 5.18 0.00 5.45 1.04 -1.26 -4.85 113.70 121.17 1ufg s SER 3 Ca 0.10 -2.13 0.00 0.00 0.48 0.00 0.00 55.95 54.40 1ufg s SER 3 Cb -0.17 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1ufg s SER 3 CO -0.31 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1ufg n GLY 4 N 4.43 -1.47 3.42 7.32 0.00 -1.26 -5.05 105.19 112.58 1ufg n GLY 4 Ca -0.00 0.61 -0.45 0.00 0.00 0.00 0.00 46.02 46.18 1ufg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufg s SER 5 N -4.00 6.78 0.02 1.61 0.01 -1.26 -4.98 113.70 111.88 1ufg s SER 5 Ca 0.00 -2.45 0.05 0.00 1.31 0.00 0.00 55.95 54.86 1ufg s SER 5 Cb 0.00 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1ufg s SER 5 CO 0.00 -0.85 -0.15 -0.44 0.41 0.00 0.00 173.24 172.21 1ufg s SER 6 N 3.01 1.83 -0.51 2.44 0.01 -1.26 -5.10 113.70 114.11 1ufg s SER 6 Ca 0.31 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1ufg s SER 6 Cb -0.06 -0.15 0.14 0.00 0.21 0.00 0.00 66.02 66.16 1ufg s SER 6 CO -0.08 0.10 0.28 -0.83 0.41 0.00 0.00 173.24 173.13 1ufg s GLY 7 N -0.90 2.21 0.23 3.44 0.00 -1.26 -5.07 107.32 105.97 1ufg s GLY 7 Ca 0.04 -3.09 -0.23 0.00 0.00 0.00 0.00 44.72 41.44 1ufg s GLY 7 CO 0.01 1.23 0.81 1.62 0.00 0.00 0.00 173.10 176.77 1ufg s GLN 8 N -0.21 1.55 -0.75 2.90 -0.44 -1.26 -5.11 119.66 116.35 1ufg s GLN 8 Ca 0.19 -0.85 -0.16 0.00 -2.50 0.00 0.00 55.36 52.04 1ufg s GLN 8 Cb -0.22 0.53 0.17 0.00 -1.64 0.00 0.00 33.01 31.86 1ufg s GLN 8 CO -0.03 -0.71 0.75 -1.54 0.50 0.00 0.00 175.29 174.26 1ufg s SER 9 N -2.92 6.54 -0.22 6.67 1.04 -1.26 -4.98 113.70 118.58 1ufg s SER 9 Ca 0.11 -2.24 -0.14 0.00 0.48 0.00 0.00 55.95 54.16 1ufg s SER 9 Cb -0.04 -2.25 0.06 0.00 0.10 0.00 0.00 66.02 63.90 1ufg s SER 9 CO 0.05 -0.77 0.54 -1.10 0.98 0.00 0.00 173.24 172.93 1ufg s GLN 10 N 1.15 0.56 0.00 4.02 -1.52 -1.26 -4.98 119.66 117.63 1ufg s GLN 10 Ca 0.16 0.94 0.00 0.00 -1.95 0.00 0.00 55.36 54.50 1ufg s GLN 10 Cb -0.16 0.11 0.00 0.00 -0.22 0.00 0.00 33.01 32.74 1ufg s GLN 10 CO -0.04 -0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 1ufg n GLY 11 N 3.94 1.92 0.00 3.09 0.00 -1.26 -4.91 105.19 107.98 1ufg n GLY 11 Ca -0.20 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1ufg n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 12 N 0.00 4.08 3.45 -0.02 0.00 -1.26 -5.17 105.19 106.27 1ufg n GLY 12 Ca 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1ufg n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufg s GLY 13 N 0.00 -0.61 -0.43 -0.02 0.00 -1.26 -5.13 107.32 99.87 1ufg s GLY 13 Ca 0.00 0.73 -0.14 0.00 0.00 0.00 0.00 44.72 45.31 1ufg s GLY 13 CO 0.00 0.39 0.31 -1.35 0.00 0.00 0.00 173.10 172.45 1ufg s SER 14 N -2.31 5.98 0.83 1.64 1.04 -1.26 -5.07 113.70 114.55 1ufg s SER 14 Ca -0.02 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 55.12 1ufg s SER 14 Cb -0.01 -2.12 0.09 0.00 0.10 0.00 0.00 66.02 64.08 1ufg s SER 14 CO -0.07 -0.53 1.09 0.54 0.98 0.00 0.00 173.24 175.26 1ufg s VAL 15 N 1.60 3.02 -0.10 5.02 0.11 -1.26 -5.04 120.40 123.75 1ufg s VAL 15 Ca 0.04 0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1ufg s VAL 15 Cb -0.22 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.69 1ufg s VAL 15 CO 0.07 -0.43 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.48 1ufg s THR 16 N -3.00 4.02 0.40 5.04 2.01 -1.26 -5.10 115.64 117.74 1ufg s THR 16 Ca 0.62 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 1ufg s THR 16 Cb -0.16 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 1ufg s THR 16 CO 0.56 0.56 0.96 -0.75 -0.69 0.00 0.00 174.62 175.27 1ufg s LYS 17 N -0.43 4.30 -0.22 4.92 2.20 -1.26 -5.04 119.74 124.20 1ufg s LYS 17 Ca 0.07 1.24 -0.06 0.00 -0.36 0.00 0.00 55.97 56.85 1ufg s LYS 17 Cb -0.12 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.78 1ufg s LYS 17 CO 0.02 0.02 0.04 0.21 -0.36 0.00 0.00 175.35 175.28 1ufg s LYS 18 N -2.79 3.70 0.44 4.03 2.20 -1.26 -5.08 119.74 120.99 1ufg s LYS 18 Ca 0.58 -0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 55.49 1ufg s LYS 18 Cb -0.14 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 1ufg s LYS 18 CO 0.18 -0.02 1.17 1.03 -0.36 0.00 0.00 175.35 177.35 1ufg s ARG 19 N 1.13 3.83 -0.45 4.03 1.81 -1.26 -5.01 118.95 123.03 1ufg s ARG 19 Ca 0.04 1.81 0.02 0.00 -1.72 0.00 0.00 55.73 55.87 1ufg s ARG 19 Cb -0.14 -2.48 0.12 0.00 -0.45 0.00 0.00 34.95 32.00 1ufg s ARG 19 CO 0.03 -0.50 0.21 0.21 -0.68 0.00 0.00 175.30 174.56 1ufg s LYS 20 N -2.59 1.91 0.22 3.54 2.20 -1.26 -4.81 119.74 118.95 1ufg s LYS 20 Ca 0.62 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1ufg s LYS 20 Cb -0.30 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1ufg s LYS 20 CO 0.36 -1.06 0.00 -0.11 -0.36 0.00 0.00 175.35 174.19 1ufg n LEU 21 N 3.85 -0.93 0.10 5.43 7.94 -1.26 -5.07 117.00 127.06 1ufg n LEU 21 Ca 0.04 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1ufg n LEU 21 Cb 0.38 1.02 0.00 0.00 0.53 0.00 0.00 43.42 45.35 1ufg n LEU 21 CO 0.30 -0.46 0.00 -0.62 -1.11 0.00 0.00 177.39 175.49 1ufg n GLU 22 N -3.10 0.00 -2.28 1.96 1.02 -1.26 -5.14 120.64 111.83 1ufg n GLU 22 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ufg n GLU 22 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 1ufg n GLU 22 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ufg n SER 23 N -3.32 -9.25 -4.42 1.62 7.64 -1.26 -4.78 113.62 99.86 1ufg n SER 23 Ca 0.00 1.73 -0.50 0.00 1.01 0.00 0.00 58.87 61.12 1ufg n SER 23 Cb 0.00 -5.15 -0.04 0.00 -1.01 0.00 0.00 64.21 58.02 1ufg n SER 23 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ufg n SER 24 N 1.90 -1.04 -0.07 6.43 3.41 -1.26 -4.91 113.62 118.08 1ufg n SER 24 Ca 0.00 1.13 -0.03 0.00 -0.26 0.00 0.00 58.87 59.71 1ufg n SER 24 Cb 0.00 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 62.99 1ufg n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ufg h GLU 25 N 1.31 0.00 -3.32 4.33 5.08 -1.91 -3.51 114.58 116.56 1ufg h GLU 25 Ca -0.32 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 58.41 1ufg h GLU 25 Cb 1.44 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.54 1ufg h GLU 25 CO 0.58 0.00 -0.93 0.43 -1.00 0.00 0.00 179.01 178.09 1ufg n SER 26 N -4.66 -8.42 -2.70 1.42 7.64 -1.26 -4.93 113.62 100.72 1ufg n SER 26 Ca -0.05 1.06 -0.07 0.00 1.01 0.00 0.00 58.87 60.83 1ufg n SER 26 Cb 0.20 -4.62 0.09 0.00 -1.01 0.00 0.00 64.21 58.87 1ufg n SER 26 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1ufg n ARG 27 N -4.28 0.94 -1.13 1.43 0.63 -1.26 -4.97 116.66 108.02 1ufg n ARG 27 Ca -0.04 -1.59 0.14 0.00 -0.92 0.00 0.00 57.85 55.44 1ufg n ARG 27 Cb 0.66 -0.20 -0.07 0.00 0.45 0.00 0.00 32.46 33.31 1ufg n ARG 27 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1ufg n SER 28 N -0.38 -6.29 -3.00 6.15 7.64 -1.26 -4.96 113.62 111.51 1ufg n SER 28 Ca -0.06 1.06 -0.07 0.00 1.01 0.00 0.00 58.87 60.81 1ufg n SER 28 Cb 0.79 -3.83 0.01 0.00 -1.01 0.00 0.00 64.21 60.16 1ufg n SER 28 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ufg n SER 29 N -3.86 -7.21 -1.57 6.43 3.41 -1.26 -4.63 113.62 104.92 1ufg n SER 29 Ca -0.06 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1ufg n SER 29 Cb 0.53 -3.64 0.00 0.00 -0.26 0.00 0.00 64.21 60.85 1ufg n SER 29 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ufg n PHE 30 N 0.61 -4.00 -1.10 7.33 3.01 -1.26 -4.23 117.46 117.82 1ufg n PHE 30 Ca 0.01 2.16 -0.43 0.00 1.01 0.00 0.00 57.45 60.19 1ufg n PHE 30 Cb 0.33 -3.31 -0.06 0.00 -0.01 0.00 0.00 39.48 36.42 1ufg n PHE 30 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ufg n SER 31 N -2.22 2.40 -4.43 4.37 7.64 0.55 -4.53 113.62 117.40 1ufg n SER 31 Ca 0.00 -2.67 -0.45 0.00 1.01 0.00 0.00 58.87 56.77 1ufg n SER 31 Cb 0.35 -1.07 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 1ufg n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ufg n GLN 32 N 7.08 0.39 -2.91 1.43 6.02 -1.26 -3.75 117.38 124.39 1ufg n GLN 32 Ca 0.49 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 57.50 1ufg n GLN 32 Cb 0.41 -1.28 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 1ufg n GLN 32 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ufg n HIS 33 N -0.32 -2.64 -4.32 1.08 8.25 0.29 -4.40 115.22 113.16 1ufg n HIS 33 Ca 0.14 -2.18 -0.32 0.00 -0.26 0.00 0.00 57.72 55.10 1ufg n HIS 33 Cb 0.32 1.03 -0.09 0.00 1.12 0.00 0.00 29.99 32.37 1ufg n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ufg s ALA 34 N 0.31 3.21 -0.19 -1.41 0.00 -1.26 -1.16 121.76 121.26 1ufg s ALA 34 Ca 0.32 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1ufg s ALA 34 Cb 0.14 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 22.06 1ufg s ALA 34 CO -0.17 0.64 0.07 1.03 0.00 0.00 0.00 175.76 177.34 1ufg s ARG 35 N -1.59 0.31 0.36 0.00 1.81 0.26 -4.94 118.95 115.16 1ufg s ARG 35 Ca 0.19 -0.27 -0.20 0.00 -1.72 0.00 0.00 55.73 53.73 1ufg s ARG 35 Cb -0.11 -1.90 -0.10 0.00 -0.45 0.00 0.00 34.95 32.39 1ufg s ARG 35 CO 0.10 -0.69 0.87 0.99 -0.68 0.00 0.00 175.30 175.89 1ufg s THR 36 N 2.01 4.46 -0.48 0.02 2.01 -1.26 -0.84 115.64 121.56 1ufg s THR 36 Ca 0.02 1.38 0.06 0.00 0.31 0.00 0.00 61.69 63.46 1ufg s THR 36 Cb -0.16 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 68.82 1ufg s THR 36 CO -0.11 -0.14 0.63 -0.44 -0.69 0.00 0.00 174.62 173.87 1ufg s SER 37 N -2.04 -0.81 0.00 3.53 0.01 0.52 -4.92 113.70 110.00 1ufg s SER 37 Ca 0.56 -1.83 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1ufg s SER 37 Cb -0.12 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1ufg s SER 37 CO 0.17 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1ufg n GLY 38 N 3.20 -0.48 0.13 3.44 0.00 -1.24 -4.30 105.19 105.93 1ufg n GLY 38 Ca 0.19 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.43 -3.55 1.61 1.74 -1.26 -4.90 116.66 110.73 1ufg n ARG 39 Ca 0.00 0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 1ufg n ARG 39 Cb 0.00 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.35 5.10 0.02 1.55 1.01 -1.26 -1.50 120.40 122.96 1ufg s VAL 40 Ca -0.24 0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1ufg s VAL 40 Cb 0.07 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1ufg s VAL 40 CO 0.40 -0.11 -0.04 0.00 0.00 0.00 0.00 175.10 175.34 1ufg s ALA 41 N -1.83 0.31 -1.05 5.51 0.00 0.66 -4.60 121.76 120.77 1ufg s ALA 41 Ca 0.42 -0.45 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 1ufg s ALA 41 Cb -0.11 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1ufg s ALA 41 CO 0.26 -0.02 1.83 0.08 0.00 0.00 0.00 175.76 177.91 1ufg s VAL 42 N -0.85 3.63 0.06 0.00 1.01 -1.26 -0.79 120.40 122.20 1ufg s VAL 42 Ca -0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1ufg s VAL 42 Cb -0.06 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1ufg s VAL 42 CO -0.00 -1.25 1.07 1.21 0.00 0.00 0.00 175.10 176.13 1ufg n GLU 43 N 8.65 -0.17 -3.64 2.72 0.00 -0.70 -4.66 120.64 122.84 1ufg n GLU 43 Ca 0.41 1.06 -0.09 0.00 0.00 0.00 0.00 57.16 58.54 1ufg n GLU 43 Cb 0.47 -1.57 -0.07 0.00 0.00 0.00 0.00 31.44 30.27 1ufg n GLU 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ufg s GLU 44 N -4.09 0.69 -0.29 5.31 2.56 -0.23 -4.99 118.70 117.66 1ufg s GLU 44 Ca -0.05 1.00 0.03 0.00 0.00 0.00 0.00 54.97 55.96 1ufg s GLU 44 Cb 0.04 0.23 0.07 0.00 2.00 0.00 0.00 34.13 36.48 1ufg s GLU 44 CO 0.24 -0.11 -0.05 0.08 -0.56 0.00 0.00 175.26 174.86 1ufg s VAL 45 N 1.01 2.12 -0.61 3.70 1.01 -1.26 0.35 120.40 126.71 1ufg s VAL 45 Ca -0.05 -1.83 -0.38 0.00 0.00 0.00 0.00 61.98 59.71 1ufg s VAL 45 Cb -0.05 -2.36 -0.18 0.00 0.00 0.00 0.00 36.38 33.79 1ufg s VAL 45 CO -0.11 -0.24 2.31 -0.67 0.00 0.00 0.00 175.10 176.39 1ufg n ASP 46 N 4.40 0.90 -0.34 3.32 2.03 -0.94 -4.74 116.55 121.18 1ufg n ASP 46 Ca -0.08 0.46 0.10 0.00 0.52 0.00 0.00 54.79 55.79 1ufg n ASP 46 Cb 0.42 -0.99 0.27 0.00 -0.72 0.00 0.00 41.12 40.10 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 10.75 0.78 -0.60 -0.67 4.11 -1.94 0.39 114.58 127.40 1ufg h GLU 47 Ca -0.12 -0.05 0.16 0.00 0.07 0.00 0.00 59.36 59.43 1ufg h GLU 47 Cb 1.37 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ufg h GLU 47 CO 1.16 0.52 0.42 0.93 0.07 0.00 0.00 179.01 182.11 1ufg h GLU 48 N 0.80 0.07 -1.27 1.06 4.39 -1.87 -3.43 114.58 114.34 1ufg h GLU 48 Ca 0.52 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1ufg h GLU 48 Cb 0.70 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1ufg h GLU 48 CO -0.34 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 177.97 1ufg n GLY 49 N -1.63 0.00 1.98 -3.84 0.00 0.14 -4.02 105.19 97.83 1ufg n GLY 49 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.19 0.00 -3.98 1.61 5.02 -1.26 -4.24 118.16 115.13 1ufg n LYS 50 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1ufg n LYS 50 Cb 0.00 -0.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.90 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 -2.00 0.29 -0.23 2.13 -0.12 -1.26 0.86 117.98 117.64 1ufg s PHE 51 Ca 0.00 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.24 1ufg s PHE 51 Cb 0.00 -0.21 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1ufg s PHE 51 CO 0.00 -0.33 -0.11 0.08 -0.05 0.00 0.00 175.22 174.82 1ufg s VAL 52 N -2.63 2.49 -0.26 -2.49 1.01 -0.12 -2.22 120.40 116.18 1ufg s VAL 52 Ca -0.05 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1ufg s VAL 52 Cb -0.01 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1ufg s VAL 52 CO -0.05 0.22 0.31 -0.13 0.00 0.00 0.00 175.10 175.45 1ufg s ARG 53 N 1.26 4.04 -0.09 2.72 0.52 0.15 0.20 118.95 127.75 1ufg s ARG 53 Ca -0.01 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 1ufg s ARG 53 Cb -0.17 -3.62 -0.00 0.00 0.52 0.00 0.00 34.95 31.68 1ufg s ARG 53 CO -0.07 -0.17 -0.23 -0.51 0.02 0.00 0.00 175.30 174.35 1ufg s LEU 54 N 1.73 2.16 0.06 2.53 1.43 0.13 -1.07 118.68 125.64 1ufg s LEU 54 Ca 0.13 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1ufg s LEU 54 Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1ufg s LEU 54 CO 0.09 0.18 -0.20 -0.60 0.23 0.00 0.00 176.35 176.05 1ufg s ARG 55 N 0.21 1.29 -0.09 1.70 3.52 0.03 0.99 118.95 126.60 1ufg s ARG 55 Ca -0.14 -0.98 -0.12 0.00 -0.13 0.00 0.00 55.73 54.35 1ufg s ARG 55 Cb -0.17 -1.43 -0.05 0.00 -1.56 0.00 0.00 34.95 31.74 1ufg s ARG 55 CO 0.07 0.36 0.29 1.21 -0.81 0.00 0.00 175.30 176.43 1ufg s ASN 56 N -1.36 6.56 -0.05 -2.12 3.84 0.18 -0.24 114.94 121.74 1ufg s ASN 56 Ca 0.07 0.66 0.16 0.00 0.21 0.00 0.00 52.86 53.96 1ufg s ASN 56 Cb -0.09 -2.18 -0.24 0.00 -0.55 0.00 0.00 41.25 38.20 1ufg s ASN 56 CO 0.02 0.26 0.28 0.29 -2.79 0.00 0.00 177.10 175.17 1ufg n LYS 57 N 2.53 0.75 -0.91 0.43 4.76 -0.56 -2.74 118.16 122.42 1ufg n LYS 57 Ca -0.15 -0.11 -0.31 0.00 -2.87 0.00 0.00 58.31 54.87 1ufg n LYS 57 Cb 0.53 -1.39 0.14 0.00 -1.84 0.00 0.00 35.03 32.47 1ufg n LYS 57 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ufg s SER 58 N -4.12 3.45 0.17 4.39 1.04 -0.90 -4.75 113.70 112.99 1ufg s SER 58 Ca -0.06 2.01 0.19 0.00 0.48 0.00 0.00 55.95 58.57 1ufg s SER 58 Cb 0.09 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 1ufg s SER 58 CO 0.66 -2.74 1.05 -1.13 0.98 0.00 0.00 173.24 172.06 1ufg h ASN 59 N -1.62 0.00 -2.95 7.02 -1.24 -1.93 -3.20 115.58 111.66 1ufg h ASN 59 Ca -0.44 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 55.91 1ufg h ASN 59 Cb 1.26 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 40.20 1ufg h ASN 59 CO 0.46 0.30 -0.52 -1.61 -1.29 0.00 0.00 177.43 174.76 1ufg s GLU 60 N -3.12 3.50 0.12 6.67 0.41 -1.26 -4.50 118.70 120.52 1ufg s GLU 60 Ca -0.00 -0.23 -0.35 0.00 -0.41 0.00 0.00 54.97 53.97 1ufg s GLU 60 Cb 0.09 -3.13 -0.15 0.00 -1.78 0.00 0.00 34.13 29.15 1ufg s GLU 60 CO 0.78 0.64 1.49 -0.40 -0.49 0.00 0.00 175.26 177.28 1ufg n ASP 61 N 2.40 2.49 -4.53 -0.19 5.75 -1.26 -4.34 116.55 116.87 1ufg n ASP 61 Ca -0.19 1.10 -0.41 0.00 -0.01 0.00 0.00 54.79 55.28 1ufg n ASP 61 Cb 0.54 -1.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.21 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1ufg s GLN 62 N 0.84 3.47 -0.16 0.11 2.00 0.97 -4.88 119.66 122.02 1ufg s GLN 62 Ca 0.82 -0.62 -0.29 0.00 -2.00 0.00 0.00 55.36 53.27 1ufg s GLN 62 Cb -0.80 -3.82 -0.01 0.00 0.80 0.00 0.00 33.01 29.18 1ufg s GLN 62 CO 0.42 -0.49 1.19 0.45 -0.50 0.00 0.00 175.29 176.36 1ufg s SER 63 N 1.72 7.01 -0.73 6.67 0.15 -1.26 0.24 113.70 127.50 1ufg s SER 63 Ca 0.07 1.62 -0.02 0.00 0.70 0.00 0.00 55.95 58.33 1ufg s SER 63 Cb -0.17 -2.54 0.41 0.00 -1.71 0.00 0.00 66.02 62.00 1ufg s SER 63 CO 0.11 -0.70 2.00 0.23 1.20 0.00 0.00 173.24 176.07 1ufg n MET 64 N 6.29 2.75 -2.51 5.44 0.00 0.31 -4.93 117.12 124.47 1ufg n MET 64 Ca 0.13 -3.43 -0.43 0.00 0.00 0.00 0.00 57.70 53.97 1ufg n MET 64 Cb 0.45 -2.28 -0.02 0.00 0.00 0.00 0.00 33.22 31.37 1ufg n MET 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ufg s GLY 65 N -1.60 1.39 0.00 3.03 0.00 -1.20 -2.51 107.32 106.44 1ufg s GLY 65 Ca 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1ufg s GLY 65 CO -0.18 2.48 0.00 -2.01 0.00 0.00 0.00 173.10 173.40 1ufg n ASN 66 N 7.54 -2.65 -4.70 1.64 4.05 -1.22 -4.26 115.26 115.67 1ufg n ASN 66 Ca 0.14 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.88 1ufg n ASN 66 Cb 0.47 -0.44 0.16 0.00 1.23 0.00 0.00 39.78 41.20 1ufg n ASN 66 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1ufg s TRP 67 N -2.22 2.22 0.22 1.20 0.52 -1.04 -4.09 118.94 115.74 1ufg s TRP 67 Ca 0.00 1.08 -0.10 0.00 0.02 0.00 0.00 56.10 57.11 1ufg s TRP 67 Cb 0.00 -3.23 -0.01 0.00 -1.15 0.00 0.00 33.47 29.08 1ufg s TRP 67 CO 0.00 -2.66 0.37 -0.65 0.02 0.00 0.00 176.95 174.03 1ufg s GLN 68 N -4.97 1.40 -0.18 4.98 -0.21 0.17 0.02 119.66 120.87 1ufg s GLN 68 Ca 0.64 -1.31 -0.04 0.00 0.02 0.00 0.00 55.36 54.67 1ufg s GLN 68 Cb -0.18 0.41 0.06 0.00 1.00 0.00 0.00 33.01 34.30 1ufg s GLN 68 CO 0.57 -0.55 0.06 0.42 -2.12 0.00 0.00 175.29 173.67 1ufg s ILE 69 N -4.04 0.18 0.39 1.08 1.01 0.13 0.41 121.20 120.37 1ufg s ILE 69 Ca 0.25 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 1ufg s ILE 69 Cb 0.02 -0.77 -0.10 0.00 0.01 0.00 0.00 42.46 41.62 1ufg s ILE 69 CO 0.08 -0.24 0.98 -0.13 0.00 0.00 0.00 174.94 175.63 1ufg s ARG 70 N 2.01 4.30 -0.18 2.79 0.52 0.45 0.49 118.95 129.34 1ufg s ARG 70 Ca 0.01 1.30 -0.06 0.00 -0.52 0.00 0.00 55.73 56.46 1ufg s ARG 70 Cb -0.16 -2.46 0.08 0.00 0.52 0.00 0.00 34.95 32.93 1ufg s ARG 70 CO -0.08 0.01 0.35 0.50 0.02 0.00 0.00 175.30 176.10 1ufg s ARG 71 N -2.65 0.25 0.00 3.54 6.06 0.29 -0.14 118.95 126.30 1ufg s ARG 71 Ca 0.58 0.86 0.06 0.00 -2.50 0.00 0.00 55.73 54.72 1ufg s ARG 71 Cb -0.16 0.07 -0.02 0.00 0.06 0.00 0.00 34.95 34.91 1ufg s ARG 71 CO 0.20 -0.31 -0.18 -1.14 -2.50 0.00 0.00 175.30 171.38 1ufg s GLN 72 N 2.52 1.37 -0.04 5.12 -0.44 0.48 -0.37 119.66 128.30 1ufg s GLN 72 Ca 0.01 -0.69 -0.01 0.00 -2.50 0.00 0.00 55.36 52.17 1ufg s GLN 72 Cb -0.12 -1.36 0.03 0.00 -1.64 0.00 0.00 33.01 29.92 1ufg s GLN 72 CO -0.11 0.37 0.08 -0.80 0.50 0.00 0.00 175.29 175.32 1ufg s ASN 73 N -0.61 0.02 0.00 6.67 0.01 -1.26 0.15 114.94 119.92 1ufg s ASN 73 Ca 0.06 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1ufg s ASN 73 Cb -0.07 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.63 1ufg s ASN 73 CO -0.00 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 1ufg n GLY 74 N 4.22 1.74 2.81 0.66 0.00 -1.08 -0.80 105.19 112.74 1ufg n GLY 74 Ca -0.27 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.29 7.15 -4.93 1.61 2.03 -1.26 -4.97 116.55 115.88 1ufg n ASP 75 Ca 0.00 -3.82 -0.23 0.00 0.52 0.00 0.00 54.79 51.26 1ufg n ASP 75 Cb 0.00 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 -1.48 4.84 -0.32 1.67 1.11 0.02 -5.06 116.67 117.45 1ufg s ASP 76 Ca 0.52 -1.04 -0.29 0.00 0.18 0.00 0.00 52.55 51.93 1ufg s ASP 76 Cb 0.44 0.16 0.00 0.00 1.07 0.00 0.00 42.92 44.59 1ufg s ASP 76 CO -0.36 -1.06 1.36 -2.16 1.18 0.00 0.00 175.17 174.14 1ufg s PRO 77 N -4.34 3.82 0.10 8.23 0.04 -1.26 -4.72 135.00 136.88 1ufg s PRO 77 Ca 0.44 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 1ufg s PRO 77 Cb -0.03 -3.93 -0.10 0.00 0.04 0.00 0.00 34.50 30.48 1ufg s PRO 77 CO 0.27 -1.25 1.84 -1.17 0.04 0.00 0.00 177.00 176.73 1ufg s LEU 78 N 4.72 4.40 0.12 -3.56 2.96 -1.26 -4.87 118.68 121.19 1ufg s LEU 78 Ca 0.59 2.72 0.05 0.00 -0.22 0.00 0.00 54.13 57.27 1ufg s LEU 78 Cb -0.17 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1ufg s LEU 78 CO 0.26 -1.01 0.07 -0.04 -1.32 0.00 0.00 176.35 174.31 1ufg s MET 79 N 3.04 2.74 -0.28 1.98 -1.94 0.50 -4.94 119.30 120.40 1ufg s MET 79 Ca 0.82 -0.83 -0.02 0.00 -1.71 0.00 0.00 55.69 53.94 1ufg s MET 79 Cb -0.45 -2.61 0.09 0.00 2.01 0.00 0.00 34.83 33.87 1ufg s MET 79 CO 0.37 0.52 0.10 0.99 -0.01 0.00 0.00 175.02 176.99 1ufg s THR 80 N -1.52 0.51 -0.49 2.05 2.01 -1.26 0.10 115.64 117.05 1ufg s THR 80 Ca 0.29 -1.03 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 1ufg s THR 80 Cb -0.11 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.08 1ufg s THR 80 CO 0.21 -0.60 1.60 -0.47 -0.69 0.00 0.00 174.62 174.67 1ufg s TYR 81 N 1.82 2.06 0.22 4.92 6.14 0.18 -4.71 117.35 127.98 1ufg s TYR 81 Ca 0.07 0.61 -0.26 0.00 0.64 0.00 0.00 57.07 58.13 1ufg s TYR 81 Cb -0.17 -4.25 -0.09 0.00 0.42 0.00 0.00 41.96 37.87 1ufg s TYR 81 CO -0.25 -2.27 0.85 0.50 0.64 0.00 0.00 175.55 175.01 1ufg s ARG 82 N 5.78 4.62 0.54 4.97 3.52 -1.26 0.18 118.95 137.30 1ufg s ARG 82 Ca 0.63 1.25 0.01 0.00 -0.13 0.00 0.00 55.73 57.49 1ufg s ARG 82 Cb -0.14 -3.13 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1ufg s ARG 82 CO 0.27 0.48 0.77 -0.06 -0.81 0.00 0.00 175.30 175.95 1ufg s PHE 83 N -1.29 2.94 0.54 5.12 0.08 0.10 -4.96 117.98 120.51 1ufg s PHE 83 Ca 0.41 0.06 -0.18 0.00 0.12 0.00 0.00 56.93 57.34 1ufg s PHE 83 Cb -0.22 -2.69 -0.06 0.00 -0.57 0.00 0.00 43.02 39.47 1ufg s PHE 83 CO 0.27 -0.80 1.04 -1.25 -0.10 0.00 0.00 175.22 174.38 1ufg s PRO 84 N -4.75 3.58 0.00 0.24 0.04 -1.26 -4.36 135.00 128.49 1ufg s PRO 84 Ca 0.56 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1ufg s PRO 84 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1ufg s PRO 84 CO 0.39 -0.60 0.76 -0.35 0.04 0.00 0.00 177.00 177.24 1ufg n PRO 85 N -1.51 0.75 -2.71 0.56 -0.04 -1.26 -3.29 135.00 127.50 1ufg n PRO 85 Ca 0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1ufg n PRO 85 Cb 0.53 -1.13 0.10 0.00 -0.04 0.00 0.00 33.50 32.96 1ufg n PRO 85 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ufg n LYS 86 N 0.64 0.71 -4.40 0.54 0.00 -1.26 -4.85 118.16 109.55 1ufg n LYS 86 Ca 0.00 -1.50 -0.27 0.00 -0.00 0.00 0.00 58.31 56.55 1ufg n LYS 86 Cb 0.37 -0.71 -0.17 0.00 -0.00 0.00 0.00 35.03 34.53 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1ufg s PHE 87 N 0.19 1.69 -0.02 5.58 2.19 -1.21 -5.03 117.98 121.37 1ufg s PHE 87 Ca 0.21 -0.75 0.08 0.00 0.33 0.00 0.00 56.93 56.80 1ufg s PHE 87 Cb 0.29 -1.26 -0.02 0.00 -1.31 0.00 0.00 43.02 40.73 1ufg s PHE 87 CO -0.10 -0.41 -0.25 0.99 1.83 0.00 0.00 175.22 177.27 1ufg s THR 88 N 1.01 1.99 -0.53 0.12 2.01 -1.26 0.11 115.64 119.09 1ufg s THR 88 Ca -0.07 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.88 1ufg s THR 88 Cb -0.15 -1.65 0.13 0.00 0.01 0.00 0.00 72.50 70.85 1ufg s THR 88 CO -0.01 0.56 0.28 -0.22 -0.69 0.00 0.00 174.62 174.54 1ufg s LEU 89 N -0.58 4.57 1.01 4.42 2.96 0.14 -4.88 118.68 126.32 1ufg s LEU 89 Ca 0.09 -2.89 -0.22 0.00 -0.22 0.00 0.00 54.13 50.89 1ufg s LEU 89 Cb -0.10 -1.69 -0.12 0.00 0.50 0.00 0.00 46.19 44.79 1ufg s LEU 89 CO -0.01 -0.28 -0.91 0.29 -1.32 0.00 0.00 176.35 174.12 1ufg n LYS 90 N 3.31 -0.26 -2.82 1.98 5.02 -1.26 -0.02 118.16 124.11 1ufg n LYS 90 Ca 0.05 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1ufg n LYS 90 Cb 0.34 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.07 3.28 0.00 7.82 0.00 -1.26 -3.09 121.76 126.43 1ufg s ALA 91 Ca 0.42 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1ufg s ALA 91 Cb -0.05 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1ufg s ALA 91 CO 0.72 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.86 1ufg n GLY 92 N 2.39 0.60 3.97 0.00 0.00 -1.11 -4.95 105.19 106.10 1ufg n GLY 92 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.22 2.10 0.05 1.61 1.11 -1.18 -4.81 119.66 118.31 1ufg s GLN 93 Ca 0.00 -0.80 -0.02 0.00 0.01 0.00 0.00 55.36 54.55 1ufg s GLN 93 Cb 0.00 -2.35 -0.03 0.00 -1.01 0.00 0.00 33.01 29.62 1ufg s GLN 93 CO 0.00 -1.14 0.01 0.54 0.01 0.00 0.00 175.29 174.71 1ufg s VAL 94 N -3.03 0.19 0.00 1.09 0.11 -1.26 -0.64 120.40 116.87 1ufg s VAL 94 Ca 0.62 -1.60 -0.05 0.00 -2.93 0.00 0.00 61.98 58.02 1ufg s VAL 94 Cb -0.08 -1.34 -0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1ufg s VAL 94 CO 0.42 -0.88 0.08 0.54 -3.33 0.00 0.00 175.10 171.93 1ufg s VAL 95 N -3.61 0.08 -0.10 2.04 0.11 0.28 -4.71 120.40 114.50 1ufg s VAL 95 Ca 0.04 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1ufg s VAL 95 Cb 0.05 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1ufg s VAL 95 CO -0.09 -0.38 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.21 1ufg s THR 96 N -1.27 1.76 -0.76 5.04 2.01 -0.44 0.18 115.64 122.16 1ufg s THR 96 Ca -0.14 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1ufg s THR 96 Cb -0.08 -1.55 0.19 0.00 0.01 0.00 0.00 72.50 71.06 1ufg s THR 96 CO 0.01 0.49 0.58 -0.63 -0.69 0.00 0.00 174.62 174.38 1ufg s ILE 97 N 0.58 3.54 0.89 1.82 1.09 0.13 0.19 121.20 129.44 1ufg s ILE 97 Ca -0.14 -3.90 -0.11 0.00 -1.10 0.00 0.00 60.65 55.39 1ufg s ILE 97 Cb -0.17 -3.27 0.12 0.00 -1.06 0.00 0.00 42.46 38.09 1ufg s ILE 97 CO 0.05 -1.01 1.09 0.26 -0.10 0.00 0.00 174.94 175.23 1ufg s TRP 98 N -1.17 2.25 -0.01 3.97 0.52 0.12 -0.94 118.94 123.67 1ufg s TRP 98 Ca 0.24 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.75 1ufg s TRP 98 Cb -0.09 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.05 1ufg s TRP 98 CO -0.12 -2.40 -0.08 0.00 0.02 0.00 0.00 176.95 174.37 1ufg s ALA 99 N -2.87 2.97 0.24 0.98 0.00 0.25 0.75 121.76 124.08 1ufg s ALA 99 Ca 0.64 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 1ufg s ALA 99 Cb -0.19 -1.13 0.36 0.00 0.00 0.00 0.00 23.12 22.16 1ufg s ALA 99 CO 0.57 0.60 1.37 0.45 0.00 0.00 0.00 175.76 178.75 1ufg n SER 100 N 1.76 -0.38 -3.32 0.00 2.88 0.16 -0.28 113.62 114.43 1ufg n SER 100 Ca -0.16 1.52 -0.38 0.00 -1.33 0.00 0.00 58.87 58.51 1ufg n SER 100 Cb 0.53 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1ufg n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufg n GLY 101 N -1.52 4.53 1.44 0.46 0.00 0.43 -3.71 105.19 106.82 1ufg n GLY 101 Ca 0.13 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1ufg n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 102 N 2.92 2.77 0.00 4.61 0.00 0.62 -4.79 120.51 126.64 1ufg n ALA 102 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1ufg n ALA 102 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1ufg n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufg n GLY 103 N 1.69 1.22 0.41 0.00 0.00 -1.24 -5.05 105.19 102.21 1ufg n GLY 103 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.60 -0.16 -3.75 4.61 0.00 -1.26 -5.09 120.51 113.26 1ufg n ALA 104 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1ufg n ALA 104 Cb 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.28 0.50 -0.74 0.00 2.01 -1.26 -5.06 115.64 109.81 1ufg s THR 105 Ca 0.08 0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1ufg s THR 105 Cb -0.00 -0.61 -0.15 0.00 0.01 0.00 0.00 72.50 71.75 1ufg s THR 105 CO 0.06 0.27 2.41 1.57 -0.69 0.00 0.00 174.62 178.23 1ufg n HIS 106 N 4.86 1.08 -3.47 4.92 -0.00 -1.26 -4.49 115.22 116.86 1ufg n HIS 106 Ca -0.12 0.04 -0.27 0.00 0.46 0.00 0.00 57.72 57.84 1ufg n HIS 106 Cb 0.50 -2.39 -0.09 0.00 -0.12 0.00 0.00 29.99 27.89 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 16.14 2.64 -4.79 0.26 7.64 -0.98 -4.94 113.62 129.59 1ufg n SER 107 Ca 0.47 -3.18 -0.29 0.00 1.01 0.00 0.00 58.87 56.88 1ufg n SER 107 Cb 0.41 -0.67 0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.86 1.26 0.41 1.43 0.04 0.12 0.86 135.00 137.25 1ufg s PRO 108 Ca 0.36 0.34 0.22 0.00 0.04 0.00 0.00 61.00 61.96 1ufg s PRO 108 Cb 0.11 -1.85 0.65 0.00 0.04 0.00 0.00 34.50 33.45 1ufg s PRO 108 CO -0.07 -2.12 1.71 -1.00 0.04 0.00 0.00 177.00 175.55 1ufg h PRO 109 N -1.45 0.00 0.00 0.56 0.13 -1.99 -3.44 132.00 125.82 1ufg h PRO 109 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ufg h PRO 109 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ufg h PRO 109 CO 0.62 0.24 0.00 0.25 -0.23 0.00 0.00 178.00 178.87 1ufg n THR 110 N -3.27 0.00 -1.95 1.56 -2.24 -1.23 -4.65 114.28 102.50 1ufg n THR 110 Ca 0.01 0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 61.89 1ufg n THR 110 Cb 0.51 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.31 6.23 0.14 3.42 1.11 0.25 -1.33 116.67 124.19 1ufg s ASP 111 Ca 0.00 2.78 -0.05 0.00 0.18 0.00 0.00 52.55 55.46 1ufg s ASP 111 Cb 0.00 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1ufg s ASP 111 CO 0.00 -0.92 0.17 -0.76 1.18 0.00 0.00 175.17 174.84 1ufg s LEU 112 N -2.41 1.40 -0.06 1.23 1.43 0.51 0.10 118.68 120.88 1ufg s LEU 112 Ca 0.57 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1ufg s LEU 112 Cb -0.41 0.77 0.02 0.00 0.03 0.00 0.00 46.19 46.60 1ufg s LEU 112 CO 0.53 -0.80 -0.05 -0.69 0.23 0.00 0.00 176.35 175.57 1ufg s VAL 113 N -3.99 0.65 -0.78 -1.59 1.01 -1.26 0.14 120.40 114.59 1ufg s VAL 113 Ca 0.18 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1ufg s VAL 113 Cb 0.05 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.85 1ufg s VAL 113 CO -0.01 0.27 1.01 0.86 0.00 0.00 0.00 175.10 177.24 1ufg s TRP 114 N 1.20 2.91 -0.07 5.22 -0.00 0.23 -4.83 118.94 123.59 1ufg s TRP 114 Ca -0.06 -0.98 -0.25 0.00 -0.00 0.00 0.00 56.10 54.81 1ufg s TRP 114 Cb -0.14 -4.26 -0.26 0.00 -0.00 0.00 0.00 33.47 28.81 1ufg s TRP 114 CO -0.02 -1.54 0.95 0.87 -0.00 0.00 0.00 176.95 177.21 1ufg h LYS 115 N 9.20 0.18 -0.99 5.86 1.57 -1.95 0.48 116.57 130.91 1ufg h LYS 115 Ca -0.08 -0.23 0.33 0.00 -1.87 0.00 0.00 60.65 58.79 1ufg h LYS 115 Cb 1.05 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 33.25 1ufg h LYS 115 CO 1.14 1.02 0.23 0.00 -0.57 0.00 0.00 179.45 181.27 1ufg n ALA 116 N -2.58 0.71 -2.17 3.86 0.00 -1.26 -4.41 120.51 114.66 1ufg n ALA 116 Ca -0.11 1.04 -0.21 0.00 0.00 0.00 0.00 53.44 54.16 1ufg n ALA 116 Cb 0.58 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 19.18 1ufg n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ufg s GLN 117 N -5.80 2.39 -0.01 0.00 -1.52 -1.23 -5.04 119.66 108.45 1ufg s GLN 117 Ca -0.11 -1.69 0.06 0.00 -1.95 0.00 0.00 55.36 51.67 1ufg s GLN 117 Cb 0.31 -2.45 -0.10 0.00 -0.22 0.00 0.00 33.01 30.55 1ufg s GLN 117 CO 0.77 -0.60 0.13 0.27 -0.25 0.00 0.00 175.29 175.61 1ufg n ASN 118 N -1.93 3.55 -3.64 5.90 0.23 -1.26 -3.95 115.26 114.15 1ufg n ASN 118 Ca 0.08 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 54.07 1ufg n ASN 118 Cb 0.62 1.25 -0.07 0.00 -2.08 0.00 0.00 39.78 39.50 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ufg s THR 119 N -2.42 0.00 0.32 5.53 -1.32 -1.26 0.16 115.64 116.65 1ufg s THR 119 Ca -0.02 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.55 1ufg s THR 119 Cb 0.04 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.34 1ufg s THR 119 CO 0.26 0.00 1.73 -0.50 -2.21 0.00 0.00 174.62 173.90 1ufg h TRP 120 N 4.85 1.00 0.00 9.09 4.06 -1.83 -3.47 115.95 129.66 1ufg h TRP 120 Ca -0.28 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1ufg h TRP 120 Cb 1.18 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 1ufg h TRP 120 CO 0.23 0.06 0.00 0.41 -3.56 0.00 0.00 178.44 175.58 1ufg n GLY 121 N -1.31 3.98 1.04 1.49 0.00 -1.26 -4.86 105.19 104.27 1ufg n GLY 121 Ca 0.27 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 3.23 4.26 0.51 0.00 0.00 -1.26 -4.58 105.19 107.35 1ufg n GLY 123 Ca -0.03 -1.22 0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 0.19 -3.94 1.61 4.64 -1.96 -3.35 113.55 110.74 1ufg h SER 124 Ca 0.00 0.10 -0.66 0.00 -0.47 0.00 0.00 61.79 60.76 1ufg h SER 124 Cb 0.00 0.09 -0.31 0.00 -0.31 0.00 0.00 62.40 61.86 1ufg h SER 124 CO 0.00 -0.12 -0.87 -0.44 -0.87 0.00 0.00 176.83 174.53 1ufg s SER 125 N -4.50 2.85 0.05 4.97 0.01 -1.26 0.08 113.70 115.89 1ufg s SER 125 Ca -0.07 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1ufg s SER 125 Cb 0.28 -0.82 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 1ufg s SER 125 CO 0.83 0.22 -0.09 -0.76 0.41 0.00 0.00 173.24 173.85 1ufg s LEU 126 N -0.08 2.27 -0.22 2.44 1.43 0.12 -2.64 118.68 122.00 1ufg s LEU 126 Ca -0.05 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 1ufg s LEU 126 Cb -0.14 -0.22 0.08 0.00 0.03 0.00 0.00 46.19 45.94 1ufg s LEU 126 CO 0.04 -0.19 0.10 -0.60 0.23 0.00 0.00 176.35 175.93 1ufg s ARG 127 N -1.71 0.13 0.25 1.70 3.52 0.41 -1.18 118.95 122.06 1ufg s ARG 127 Ca -0.08 -0.28 0.07 0.00 -0.13 0.00 0.00 55.73 55.32 1ufg s ARG 127 Cb -0.09 -1.57 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 1ufg s ARG 127 CO 0.01 -0.81 0.15 0.99 -0.81 0.00 0.00 175.30 174.82 1ufg s THR 128 N 2.11 4.23 0.16 4.11 2.01 0.10 0.18 115.64 128.55 1ufg s THR 128 Ca 0.05 -1.48 -0.22 0.00 0.31 0.00 0.00 61.69 60.34 1ufg s THR 128 Cb -0.16 -3.27 0.07 0.00 0.01 0.00 0.00 72.50 69.14 1ufg s THR 128 CO -0.20 -0.33 0.59 0.00 -0.69 0.00 0.00 174.62 173.98 1ufg s ALA 129 N -2.14 -1.53 -0.06 7.40 0.00 0.80 -0.95 121.76 125.28 1ufg s ALA 129 Ca 0.32 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1ufg s ALA 129 Cb -0.08 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1ufg s ALA 129 CO 0.24 -0.77 -0.19 -1.17 0.00 0.00 0.00 175.76 173.86 1ufg s LEU 130 N -2.76 1.93 0.08 0.00 2.96 0.01 0.17 118.68 121.08 1ufg s LEU 130 Ca 0.02 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1ufg s LEU 130 Cb -0.01 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1ufg s LEU 130 CO -0.12 0.15 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.24 1ufg s ILE 131 N 0.19 2.79 0.08 6.68 -1.09 0.17 -0.88 121.20 129.14 1ufg s ILE 131 Ca -0.09 -1.37 0.01 0.00 -2.23 0.00 0.00 60.65 56.97 1ufg s ILE 131 Cb -0.14 -2.23 0.01 0.00 -1.58 0.00 0.00 42.46 38.52 1ufg s ILE 131 CO 0.04 0.21 0.11 -0.46 -1.23 0.00 0.00 174.94 173.62 1ufg n ASN 132 N 1.14 0.36 -0.33 3.58 0.23 -0.57 0.44 115.26 120.11 1ufg n ASN 132 Ca -0.16 -1.23 -0.07 0.00 -0.53 0.00 0.00 54.58 52.59 1ufg n ASN 132 Cb 0.52 -0.06 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 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 -2.85 -0.77 -4.88 0.53 3.41 -1.26 -4.34 113.62 103.46 1ufg n SER 133 Ca 0.02 1.42 -0.30 0.00 -0.26 0.00 0.00 58.87 59.75 1ufg n SER 133 Cb 0.09 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 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 -5.48 4.68 -0.64 6.66 -1.32 -1.26 -4.77 115.64 113.51 1ufg s THR 134 Ca -0.10 0.72 -0.06 0.00 -1.21 0.00 0.00 61.69 61.04 1ufg s THR 134 Cb 0.11 -3.85 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1ufg s THR 134 CO 0.52 -1.06 1.79 0.61 -2.21 0.00 0.00 174.62 174.26 1ufg n GLY 135 N -2.66 2.63 2.92 6.08 0.00 -1.26 -4.75 105.19 108.14 1ufg n GLY 135 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 4.03 0.26 0.29 1.61 2.12 -1.26 -5.03 118.70 120.72 1ufg s GLU 136 Ca 0.31 -0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.35 1ufg s GLU 136 Cb 0.08 -0.26 -0.09 0.00 0.26 0.00 0.00 34.13 34.12 1ufg s GLU 136 CO -0.00 0.06 0.76 -2.00 -0.54 0.00 0.00 175.26 173.54 1ufg s GLU 137 N -0.02 4.16 -0.06 4.30 2.12 -1.26 -1.52 118.70 126.43 1ufg s GLU 137 Ca 0.01 0.84 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1ufg s GLU 137 Cb -0.02 -2.62 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1ufg s GLU 137 CO -0.00 0.24 -0.03 1.33 -0.54 0.00 0.00 175.26 176.26 1ufg n VAL 138 N 0.11 0.35 -3.94 3.70 0.24 -0.06 -4.92 118.33 113.82 1ufg n VAL 138 Ca 0.01 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 1ufg n VAL 138 Cb 0.52 -0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 32.03 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 -2.12 -0.01 0.02 2.33 0.00 -1.25 0.19 121.76 120.93 1ufg s ALA 139 Ca -0.06 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1ufg s ALA 139 Cb 0.02 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1ufg s ALA 139 CO 0.17 -0.39 -0.04 0.00 0.00 0.00 0.00 175.76 175.50 1ufg s MET 140 N -3.27 0.32 -0.25 0.00 0.00 -0.02 -0.81 119.30 115.27 1ufg s MET 140 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 55.69 55.20 1ufg s MET 140 Cb 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 34.83 34.85 1ufg s MET 140 CO -0.08 0.01 0.10 0.50 0.00 0.00 0.00 175.02 175.55 1ufg s ARG 141 N -1.00 0.33 -0.15 3.16 3.52 -0.13 0.92 118.95 125.60 1ufg s ARG 141 Ca -0.09 -0.51 -0.05 0.00 -0.13 0.00 0.00 55.73 54.95 1ufg s ARG 141 Cb -0.07 -1.60 -0.03 0.00 -1.56 0.00 0.00 34.95 31.68 1ufg s ARG 141 CO -0.00 -0.88 0.02 0.21 -0.81 0.00 0.00 175.30 173.84 1ufg s LYS 142 N 1.98 3.69 -0.17 5.12 2.20 -0.31 0.03 119.74 132.29 1ufg s LYS 142 Ca 0.06 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1ufg s LYS 142 Cb -0.16 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1ufg s LYS 142 CO -0.24 0.35 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.41 1ufg s LEU 143 N 0.11 2.03 -0.06 5.43 2.01 -0.33 0.10 118.68 127.98 1ufg s LEU 143 Ca 0.03 -0.63 0.04 0.00 0.01 0.00 0.00 54.13 53.58 1ufg s LEU 143 Cb -0.13 -1.38 -0.02 0.00 0.01 0.00 0.00 46.19 44.67 1ufg s LEU 143 CO 0.02 -0.03 -0.18 -0.69 1.01 0.00 0.00 176.35 176.48 1ufg s VAL 144 N 1.35 2.75 -0.10 -1.59 1.01 -1.25 0.14 120.40 122.72 1ufg s VAL 144 Ca 0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1ufg s VAL 144 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ufg s VAL 144 CO -0.12 0.58 0.15 -0.60 0.00 0.00 0.00 175.10 175.10 1ufg s ARG 145 N -0.47 3.43 0.00 2.72 3.52 0.11 0.20 118.95 128.47 1ufg s ARG 145 Ca 0.06 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1ufg s ARG 145 Cb -0.12 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1ufg s ARG 145 CO 0.01 0.76 0.00 0.43 -0.81 0.00 0.00 175.30 175.69 1ufg n SER 146 N 1.75 0.00 0.00 -2.12 7.64 -1.26 -4.91 113.62 114.72 1ufg n SER 146 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ufg n SER 146 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 1.68 3.73 0.23 0.00 -1.26 -5.12 105.19 104.46 1ufg n GLY 147 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 4.55 -0.23 1.61 0.04 -1.26 -5.03 135.00 132.69 1ufg s PRO 148 Ca 0.00 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1ufg s PRO 148 Cb 0.00 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.33 1ufg s PRO 148 CO 0.00 0.00 0.06 -1.54 0.04 0.00 0.00 177.00 175.56 1ufg s SER 149 N 0.11 3.15 -0.26 6.66 1.04 -1.26 -5.10 113.70 118.04 1ufg s SER 149 Ca 0.51 -1.01 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 1ufg s SER 149 Cb -0.30 -0.59 0.09 0.00 0.10 0.00 0.00 66.02 65.33 1ufg s SER 149 CO 0.34 -0.35 0.61 -0.44 0.98 0.00 0.00 173.24 174.38 1ufg s SER 150 N 1.87 -0.86 0.00 7.02 0.01 -1.26 -5.34 113.70 115.14 1ufg s SER 150 Ca 0.02 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1ufg s SER 150 Cb -0.17 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.57 1ufg s SER 150 CO -0.15 -0.23 0.42 0.61 0.41 0.00 0.00 173.24 174.31