#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 -0.76 0.23 1.61 0.01 -1.26 -5.17 113.70 108.36 1ufg s SER 2 Ca 0.00 1.29 -0.14 0.00 1.31 0.00 0.00 55.95 58.41 1ufg s SER 2 Cb 0.00 1.48 0.01 0.00 0.21 0.00 0.00 66.02 67.71 1ufg s SER 2 CO 0.00 -0.22 0.49 -0.94 0.41 0.00 0.00 173.24 172.98 1ufg s SER 3 N 2.10 -0.13 0.00 2.44 1.04 -1.26 -5.17 113.70 112.73 1ufg s SER 3 Ca -0.07 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1ufg s SER 3 Cb -0.09 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ufg s SER 3 CO -0.17 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1ufg n GLY 4 N -0.36 3.37 3.62 7.32 0.00 -1.26 -5.19 105.19 112.69 1ufg n GLY 4 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 1.99 -0.08 -0.02 1.61 0.01 -1.26 -5.19 113.70 110.77 1ufg s SER 5 Ca 0.00 0.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.99 1ufg s SER 5 Cb 0.00 0.08 0.10 0.00 0.21 0.00 0.00 66.02 66.41 1ufg s SER 5 CO 0.00 -0.12 0.85 -0.44 0.41 0.00 0.00 173.24 173.93 1ufg s SER 6 N -1.91 -0.43 0.00 2.44 0.01 -1.26 -5.19 113.70 107.37 1ufg s SER 6 Ca 0.10 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1ufg s SER 6 Cb -0.01 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1ufg s SER 6 CO -0.04 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1ufg n GLY 7 N 0.05 4.32 3.62 3.44 0.00 -1.26 -5.19 105.19 110.18 1ufg n GLY 7 Ca -0.11 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.38 0.40 0.14 1.61 0.74 -1.26 -5.19 119.66 114.72 1ufg s GLN 8 Ca 0.00 -0.22 -0.25 0.00 0.05 0.00 0.00 55.36 54.94 1ufg s GLN 8 Cb 0.00 0.14 0.07 0.00 1.10 0.00 0.00 33.01 34.31 1ufg s GLN 8 CO 0.00 -0.18 0.90 0.45 -0.55 0.00 0.00 175.29 175.91 1ufg s SER 9 N -2.99 -0.24 0.18 6.67 0.15 -1.26 -5.19 113.70 111.03 1ufg s SER 9 Ca 0.14 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1ufg s SER 9 Cb 0.05 0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 1ufg s SER 9 CO -0.04 -0.90 0.00 -1.58 1.20 0.00 0.00 173.24 171.92 1ufg s GLN 10 N -3.35 1.15 0.00 5.44 0.74 -1.26 -5.16 119.66 117.23 1ufg s GLN 10 Ca 0.10 -1.56 0.00 0.00 0.05 0.00 0.00 55.36 53.95 1ufg s GLN 10 Cb -0.02 -0.34 0.00 0.00 1.10 0.00 0.00 33.01 33.76 1ufg s GLN 10 CO 0.00 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 1ufg n GLY 11 N -0.28 1.89 3.47 2.59 0.00 -1.26 -5.18 105.19 106.43 1ufg n GLY 11 Ca -0.06 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1ufg n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufg s GLY 12 N 0.00 0.07 0.00 -0.02 0.00 -1.26 -5.18 107.32 100.93 1ufg s GLY 12 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1ufg s GLY 12 CO 0.00 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.29 1ufg n GLY 13 N -0.30 2.43 0.00 0.20 0.00 -1.26 -4.64 105.19 101.62 1ufg n GLY 13 Ca -0.09 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1ufg n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ufg n SER 14 N 0.00 0.00 -4.71 1.61 7.64 -1.26 -4.91 113.62 111.99 1ufg n SER 14 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1ufg n SER 14 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1ufg n SER 14 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ufg s VAL 15 N 0.00 4.57 -0.42 0.44 -7.23 -1.26 -4.85 120.40 111.65 1ufg s VAL 15 Ca 0.00 -0.14 0.09 0.00 -1.81 0.00 0.00 61.98 60.11 1ufg s VAL 15 Cb 0.00 -2.95 0.33 0.00 0.56 0.00 0.00 36.38 34.32 1ufg s VAL 15 CO 0.00 0.59 0.92 1.07 -0.31 0.00 0.00 175.10 177.37 1ufg n THR 16 N 2.26 -0.10 -2.70 5.32 5.66 -1.26 -5.11 114.28 118.35 1ufg n THR 16 Ca -0.19 -2.93 -0.43 0.00 -3.05 0.00 0.00 64.05 57.46 1ufg n THR 16 Cb 0.54 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.90 1ufg n THR 16 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1ufg s LYS 17 N -0.93 4.34 0.12 1.09 2.47 -1.26 -5.03 119.74 120.54 1ufg s LYS 17 Ca 0.31 1.33 0.09 0.00 -1.56 0.00 0.00 55.97 56.15 1ufg s LYS 17 Cb 0.31 -3.58 -0.04 0.00 -1.46 0.00 0.00 37.83 33.06 1ufg s LYS 17 CO -0.07 -0.44 -0.23 0.21 0.16 0.00 0.00 175.35 174.97 1ufg s LYS 18 N 2.49 1.25 -0.99 4.03 2.20 -1.26 -5.05 119.74 122.41 1ufg s LYS 18 Ca 0.45 -1.25 -0.24 0.00 -0.36 0.00 0.00 55.97 54.57 1ufg s LYS 18 Cb -0.17 -1.61 -0.06 0.00 -1.51 0.00 0.00 37.83 34.49 1ufg s LYS 18 CO 0.13 0.38 1.94 0.50 -0.36 0.00 0.00 175.35 177.93 1ufg s ARG 19 N -2.00 2.55 -0.32 4.03 3.52 -1.26 -4.70 118.95 120.77 1ufg s ARG 19 Ca 0.10 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.08 1ufg s ARG 19 Cb -0.10 -5.12 0.19 0.00 -1.56 0.00 0.00 34.95 28.36 1ufg s ARG 19 CO 0.05 -3.55 0.91 0.21 -0.81 0.00 0.00 175.30 172.11 1ufg s LYS 20 N 6.83 0.31 0.57 5.12 2.36 -1.26 -5.16 119.74 128.51 1ufg s LYS 20 Ca 0.69 0.11 -0.19 0.00 -2.55 0.00 0.00 55.97 54.03 1ufg s LYS 20 Cb -0.05 0.09 -0.05 0.00 -1.05 0.00 0.00 37.83 36.78 1ufg s LYS 20 CO 0.03 -0.52 1.15 -0.51 1.55 0.00 0.00 175.35 177.05 1ufg s LEU 21 N 2.53 3.69 -0.05 5.43 1.02 -1.26 -5.05 118.68 124.99 1ufg s LEU 21 Ca 0.20 2.21 -0.20 0.00 0.02 0.00 0.00 54.13 56.36 1ufg s LEU 21 Cb -0.02 -4.58 0.04 0.00 0.02 0.00 0.00 46.19 41.65 1ufg s LEU 21 CO -0.19 -1.35 0.44 -1.83 0.02 0.00 0.00 176.35 173.44 1ufg s GLU 22 N -3.38 0.77 -0.08 1.70 -1.05 -1.26 -5.16 118.70 110.23 1ufg s GLU 22 Ca 0.73 0.07 -0.05 0.00 -0.15 0.00 0.00 54.97 55.56 1ufg s GLU 22 Cb -0.25 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 33.75 1ufg s GLU 22 CO 0.30 -0.21 0.15 -1.12 0.95 0.00 0.00 175.26 175.33 1ufg s SER 23 N -1.05 6.34 -0.94 0.83 0.01 -1.26 -5.02 113.70 112.61 1ufg s SER 23 Ca -0.11 0.42 -0.24 0.00 1.31 0.00 0.00 55.95 57.33 1ufg s SER 23 Cb -0.03 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.19 1ufg s SER 23 CO 0.05 0.36 1.59 -0.55 0.41 0.00 0.00 173.24 175.11 1ufg s SER 24 N -1.31 6.03 -0.16 2.44 0.15 -1.26 -4.94 113.70 114.65 1ufg s SER 24 Ca 0.19 -1.04 0.01 0.00 0.70 0.00 0.00 55.95 55.80 1ufg s SER 24 Cb -0.12 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1ufg s SER 24 CO 0.08 -1.93 -0.18 -1.61 1.20 0.00 0.00 173.24 170.80 1ufg s GLU 25 N 5.72 3.09 -0.30 5.44 2.02 -1.26 -4.83 118.70 128.59 1ufg s GLU 25 Ca 0.53 -0.80 -0.09 0.00 0.02 0.00 0.00 54.97 54.62 1ufg s GLU 25 Cb -0.03 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.65 1ufg s GLU 25 CO -0.03 -0.06 0.35 0.43 0.02 0.00 0.00 175.26 175.96 1ufg n SER 26 N 4.24 -6.37 -3.80 -0.19 7.64 -1.26 -5.07 113.62 108.81 1ufg n SER 26 Ca -0.20 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.09 1ufg n SER 26 Cb 0.51 -4.21 -0.13 0.00 -1.01 0.00 0.00 64.21 59.38 1ufg n SER 26 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ufg s ARG 27 N -1.97 0.19 0.00 1.43 3.52 -1.26 -5.05 118.95 115.81 1ufg s ARG 27 Ca 0.14 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1ufg s ARG 27 Cb -0.04 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1ufg s ARG 27 CO 0.56 -0.04 0.00 -1.13 -0.81 0.00 0.00 175.30 173.88 1ufg n SER 28 N 3.16 0.00 -1.44 -2.12 3.41 -1.26 -5.15 113.62 110.22 1ufg n SER 28 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1ufg n SER 28 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1ufg n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufg n SER 29 N 0.00 -7.89 -1.56 4.04 7.64 -1.26 -4.94 113.62 109.65 1ufg n SER 29 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1ufg n SER 29 Cb 0.00 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 1ufg n SER 29 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ufg n PHE 30 N -0.85 -3.96 -1.53 1.43 3.01 -1.26 -4.34 117.46 109.96 1ufg n PHE 30 Ca 0.00 2.14 -0.40 0.00 1.01 0.00 0.00 57.45 60.20 1ufg n PHE 30 Cb 0.00 -3.31 -0.01 0.00 -0.01 0.00 0.00 39.48 36.15 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 -2.46 5.63 -4.56 4.37 7.64 0.58 -4.80 113.62 120.02 1ufg n SER 31 Ca 0.00 -2.72 -0.42 0.00 1.01 0.00 0.00 58.87 56.74 1ufg n SER 31 Cb 0.41 -1.59 0.01 0.00 -1.01 0.00 0.00 64.21 62.03 1ufg n SER 31 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ufg n GLN 32 N 5.17 1.06 -2.83 1.43 7.27 -1.26 -3.80 117.38 124.43 1ufg n GLN 32 Ca 0.62 0.38 -0.08 0.00 0.07 0.00 0.00 57.00 57.99 1ufg n GLN 32 Cb 0.33 -1.85 0.01 0.00 2.41 0.00 0.00 30.24 31.14 1ufg n GLN 32 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1ufg n HIS 33 N -0.60 -3.35 -3.96 3.69 8.25 0.85 -4.93 115.22 115.17 1ufg n HIS 33 Ca 0.10 -1.70 -0.21 0.00 -0.26 0.00 0.00 57.72 55.65 1ufg n HIS 33 Cb 0.39 1.34 -0.02 0.00 1.12 0.00 0.00 29.99 32.82 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 0.68 3.94 -0.30 -1.41 0.00 -1.26 -1.25 121.76 122.16 1ufg s ALA 34 Ca 0.31 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1ufg s ALA 34 Cb 0.07 -1.72 0.19 0.00 0.00 0.00 0.00 23.12 21.66 1ufg s ALA 34 CO -0.12 0.23 0.64 1.03 0.00 0.00 0.00 175.76 177.54 1ufg s ARG 35 N -3.98 0.53 0.27 0.00 0.52 0.14 -4.92 118.95 111.52 1ufg s ARG 35 Ca 0.34 0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 56.19 1ufg s ARG 35 Cb -0.09 0.41 -0.08 0.00 0.52 0.00 0.00 34.95 35.71 1ufg s ARG 35 CO 0.29 -0.74 0.67 0.99 0.02 0.00 0.00 175.30 176.54 1ufg s THR 36 N 2.86 4.74 -0.48 0.02 2.01 -1.26 -0.62 115.64 122.91 1ufg s THR 36 Ca 0.16 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1ufg s THR 36 Cb -0.13 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 68.91 1ufg s THR 36 CO -0.22 -0.07 0.63 -0.55 -0.69 0.00 0.00 174.62 173.72 1ufg s SER 37 N -2.17 -0.85 0.00 3.53 0.15 0.53 -4.91 113.70 109.98 1ufg s SER 37 Ca 0.50 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1ufg s SER 37 Cb -0.12 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1ufg s SER 37 CO 0.19 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1ufg n GLY 38 N 3.23 -0.53 0.13 9.45 0.00 -1.25 -4.31 105.19 111.92 1ufg n GLY 38 Ca 0.18 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 0.65 -3.50 1.61 1.74 -1.26 -4.93 116.66 110.98 1ufg n ARG 39 Ca 0.00 0.32 -0.29 0.00 -0.77 0.00 0.00 57.85 57.10 1ufg n ARG 39 Cb 0.00 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 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 -2.49 5.08 0.02 1.55 1.01 -1.26 -2.42 120.40 121.89 1ufg s VAL 40 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1ufg s VAL 40 Cb 0.09 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1ufg s VAL 40 CO 0.63 -0.19 -0.04 0.00 0.00 0.00 0.00 175.10 175.50 1ufg s ALA 41 N -1.92 0.21 -1.05 5.51 0.00 0.40 -4.66 121.76 120.26 1ufg s ALA 41 Ca 0.42 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1ufg s ALA 41 Cb -0.11 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1ufg s ALA 41 CO 0.28 -0.13 1.85 0.08 0.00 0.00 0.00 175.76 177.84 1ufg s VAL 42 N -1.43 3.61 0.07 0.00 1.01 -1.26 -0.85 120.40 121.55 1ufg s VAL 42 Ca -0.15 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1ufg s VAL 42 Cb -0.10 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1ufg s VAL 42 CO -0.01 -1.20 1.12 1.21 0.00 0.00 0.00 175.10 176.22 1ufg n GLU 43 N 8.63 -0.20 -3.64 2.72 0.00 -0.88 -4.63 120.64 122.64 1ufg n GLU 43 Ca 0.41 1.11 -0.09 0.00 0.00 0.00 0.00 57.16 58.59 1ufg n GLU 43 Cb 0.47 -1.64 -0.07 0.00 0.00 0.00 0.00 31.44 30.20 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 -4.28 0.71 -0.19 5.31 2.56 -0.49 -4.99 118.70 117.33 1ufg s GLU 44 Ca -0.06 1.12 0.01 0.00 0.00 0.00 0.00 54.97 56.04 1ufg s GLU 44 Cb 0.05 0.20 0.04 0.00 2.00 0.00 0.00 34.13 36.42 1ufg s GLU 44 CO 0.29 -0.14 -0.11 0.08 -0.56 0.00 0.00 175.26 174.82 1ufg s VAL 45 N 1.27 1.61 -0.08 3.70 1.01 -1.26 0.01 120.40 126.66 1ufg s VAL 45 Ca -0.07 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 1ufg s VAL 45 Cb -0.05 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 1ufg s VAL 45 CO -0.14 0.21 2.02 -0.67 0.00 0.00 0.00 175.10 176.53 1ufg n ASP 46 N 4.71 3.65 -0.32 3.32 -0.08 -0.99 -4.84 116.55 122.00 1ufg n ASP 46 Ca -0.15 0.74 0.01 0.00 -1.51 0.00 0.00 54.79 53.88 1ufg n ASP 46 Cb 0.47 -1.47 0.18 0.00 2.34 0.00 0.00 41.12 42.64 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1ufg h GLU 47 N 11.30 1.14 -0.42 -0.67 4.11 -1.95 -0.07 114.58 128.02 1ufg h GLU 47 Ca -0.46 -0.07 0.12 0.00 0.07 0.00 0.00 59.36 59.02 1ufg h GLU 47 Cb 1.25 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1ufg h GLU 47 CO 0.95 0.76 0.36 0.93 0.07 0.00 0.00 179.01 182.08 1ufg h GLU 48 N 1.18 0.00 -1.89 1.06 4.39 -1.88 -3.44 114.58 114.00 1ufg h GLU 48 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1ufg h GLU 48 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ufg h GLU 48 CO -0.11 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.15 1ufg n GLY 49 N -1.54 0.90 0.27 -3.84 0.00 -0.04 -4.27 105.19 96.67 1ufg n GLY 49 Ca 0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.94 0.25 -3.49 1.61 5.02 -1.26 -1.43 118.16 117.91 1ufg n LYS 50 Ca 0.00 0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1ufg n LYS 50 Cb 0.32 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.21 -0.48 -0.21 2.13 -0.12 -1.26 0.06 117.98 115.89 1ufg s PHE 51 Ca -0.15 0.38 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1ufg s PHE 51 Cb 0.04 0.45 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1ufg s PHE 51 CO 0.22 -0.76 -0.16 0.08 -0.05 0.00 0.00 175.22 174.55 1ufg s VAL 52 N -3.20 2.18 -0.21 -2.49 1.01 -0.29 -2.35 120.40 115.05 1ufg s VAL 52 Ca -0.01 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1ufg s VAL 52 Cb -0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1ufg s VAL 52 CO -0.08 0.36 0.10 -0.60 0.00 0.00 0.00 175.10 174.89 1ufg s ARG 53 N 1.25 4.01 0.02 2.72 3.52 0.10 0.05 118.95 130.63 1ufg s ARG 53 Ca 0.01 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.37 1ufg s ARG 53 Cb -0.15 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1ufg s ARG 53 CO -0.10 0.17 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.84 1ufg s LEU 54 N 0.68 2.11 0.06 -0.88 1.43 0.97 -1.39 118.68 121.66 1ufg s LEU 54 Ca 0.06 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1ufg s LEU 54 Cb -0.13 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1ufg s LEU 54 CO 0.01 0.21 -0.13 -0.60 0.23 0.00 0.00 176.35 176.08 1ufg s ARG 55 N -0.88 0.77 -0.39 1.70 3.52 -0.03 0.39 118.95 124.04 1ufg s ARG 55 Ca 0.08 -0.85 -0.14 0.00 -0.13 0.00 0.00 55.73 54.69 1ufg s ARG 55 Cb -0.09 -0.74 0.01 0.00 -1.56 0.00 0.00 34.95 32.58 1ufg s ARG 55 CO 0.01 0.17 0.27 1.21 -0.81 0.00 0.00 175.30 176.14 1ufg s ASN 56 N -1.53 6.01 0.13 -2.12 3.84 0.35 -0.45 114.94 121.17 1ufg s ASN 56 Ca -0.03 -0.82 -0.01 0.00 0.21 0.00 0.00 52.86 52.22 1ufg s ASN 56 Cb -0.09 -2.13 -0.12 0.00 -0.55 0.00 0.00 41.25 38.36 1ufg s ASN 56 CO 0.02 -0.39 1.28 0.11 -2.79 0.00 0.00 177.10 175.33 1ufg h LYS 57 N 8.56 0.25 -7.13 0.43 6.56 -1.80 0.44 116.57 123.88 1ufg h LYS 57 Ca -0.28 -0.32 -0.53 0.00 -1.06 0.00 0.00 60.65 58.46 1ufg h LYS 57 Cb 1.12 0.10 0.20 0.00 -0.57 0.00 0.00 32.23 33.09 1ufg h LYS 57 CO 0.70 1.07 0.08 0.43 -2.06 0.00 0.00 179.45 179.67 1ufg n SER 58 N -3.62 0.04 -1.59 0.86 7.64 -1.02 -4.66 113.62 111.28 1ufg n SER 58 Ca -0.05 0.46 0.08 0.00 1.01 0.00 0.00 58.87 60.37 1ufg n SER 58 Cb 0.89 -1.43 0.35 0.00 -1.01 0.00 0.00 64.21 63.01 1ufg n SER 58 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ufg n ASN 59 N -3.26 4.74 -4.44 6.43 6.94 -1.26 -2.71 115.26 121.70 1ufg n ASN 59 Ca 0.11 -2.51 -0.27 0.00 -0.02 0.00 0.00 54.58 51.90 1ufg n ASN 59 Cb 0.52 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.99 1.57 -0.25 -3.83 -1.05 -1.26 -4.80 118.70 107.09 1ufg s GLU 60 Ca 0.49 -1.53 -0.29 0.00 -0.15 0.00 0.00 54.97 53.50 1ufg s GLU 60 Cb 0.33 -1.86 -0.01 0.00 -0.44 0.00 0.00 34.13 32.14 1ufg s GLU 60 CO 0.22 0.40 1.48 0.16 0.95 0.00 0.00 175.26 178.46 1ufg s ASP 61 N -2.75 6.51 -0.34 0.83 -4.77 -1.26 -3.20 116.67 111.70 1ufg s ASP 61 Ca 0.22 1.45 -0.19 0.00 -3.30 0.00 0.00 52.55 50.72 1ufg s ASP 61 Cb -0.08 -2.54 -0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1ufg s ASP 61 CO 0.11 -1.17 0.57 -1.58 0.70 0.00 0.00 175.17 173.80 1ufg s GLN 62 N 4.44 3.73 -0.09 2.11 2.00 -0.10 -4.91 119.66 126.84 1ufg s GLN 62 Ca 0.65 0.04 -0.30 0.00 -2.00 0.00 0.00 55.36 53.75 1ufg s GLN 62 Cb -0.21 -3.78 -0.02 0.00 0.80 0.00 0.00 33.01 29.80 1ufg s GLN 62 CO 0.26 -0.63 1.04 -1.12 -0.50 0.00 0.00 175.29 174.34 1ufg s SER 63 N 1.73 7.22 -0.30 6.67 0.01 -1.26 0.87 113.70 128.64 1ufg s SER 63 Ca 0.22 1.59 0.08 0.00 1.31 0.00 0.00 55.95 59.14 1ufg s SER 63 Cb -0.15 -2.56 0.46 0.00 0.21 0.00 0.00 66.02 63.99 1ufg s SER 63 CO 0.13 -0.46 1.35 0.23 0.41 0.00 0.00 173.24 174.90 1ufg n MET 64 N 4.99 2.43 -0.99 12.44 0.00 0.25 -4.80 117.12 131.44 1ufg n MET 64 Ca 0.09 -3.57 -0.18 0.00 0.00 0.00 0.00 57.70 54.04 1ufg n MET 64 Cb 0.48 -1.95 -0.12 0.00 0.00 0.00 0.00 33.22 31.63 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 -0.97 3.15 0.00 3.03 0.00 -0.84 -3.03 105.19 106.53 1ufg n GLY 65 Ca 0.35 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 2.87 0.00 -4.14 1.61 5.03 -1.24 -4.36 115.26 115.03 1ufg n ASN 66 Ca 0.48 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.57 1ufg n ASN 66 Cb 0.66 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.46 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 -3.97 -4.10 3.10 7.02 -1.17 -4.34 117.44 113.98 1ufg n TRP 67 Ca 0.00 0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.51 1ufg n TRP 67 Cb 0.00 -1.56 -0.09 0.00 -2.42 0.00 0.00 31.31 27.24 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 -1.97 1.13 -0.11 -0.99 1.11 0.50 0.58 119.66 119.92 1ufg s GLN 68 Ca 0.48 -1.41 -0.00 0.00 0.01 0.00 0.00 55.36 54.44 1ufg s GLN 68 Cb -0.27 0.31 0.02 0.00 -1.01 0.00 0.00 33.01 32.06 1ufg s GLN 68 CO 0.75 -0.38 -0.08 0.42 0.01 0.00 0.00 175.29 176.01 1ufg s ILE 69 N -4.06 1.04 -0.11 1.08 1.01 0.33 -0.22 121.20 120.27 1ufg s ILE 69 Ca 0.26 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 1ufg s ILE 69 Cb 0.05 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1ufg s ILE 69 CO 0.05 0.37 0.30 -0.13 0.00 0.00 0.00 174.94 175.53 1ufg s ARG 70 N 1.55 4.04 -0.13 2.79 0.52 0.24 0.27 118.95 128.24 1ufg s ARG 70 Ca 0.02 0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.38 1ufg s ARG 70 Cb -0.13 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.04 1ufg s ARG 70 CO -0.07 0.44 -0.06 0.50 0.02 0.00 0.00 175.30 176.14 1ufg s ARG 71 N -0.17 1.41 -0.10 3.54 6.06 0.12 0.03 118.95 129.84 1ufg s ARG 71 Ca 0.18 -0.30 0.02 0.00 -2.50 0.00 0.00 55.73 53.13 1ufg s ARG 71 Cb -0.14 -1.67 0.01 0.00 0.06 0.00 0.00 34.95 33.22 1ufg s ARG 71 CO 0.07 -0.32 -0.15 -1.14 -2.50 0.00 0.00 175.30 171.25 1ufg s GLN 72 N 1.71 2.16 0.07 5.12 -0.44 0.11 -0.37 119.66 128.03 1ufg s GLN 72 Ca 0.04 -0.55 0.07 0.00 -2.50 0.00 0.00 55.36 52.42 1ufg s GLN 72 Cb -0.13 -1.82 -0.03 0.00 -1.64 0.00 0.00 33.01 29.38 1ufg s GLN 72 CO -0.08 -0.04 -0.18 -0.80 0.50 0.00 0.00 175.29 174.69 1ufg s ASN 73 N 0.91 2.19 0.34 6.67 -0.87 -1.26 -0.31 114.94 122.61 1ufg s ASN 73 Ca -0.08 -0.59 -0.27 0.00 -1.57 0.00 0.00 52.86 50.34 1ufg s ASN 73 Cb -0.15 -0.13 -0.13 0.00 -0.02 0.00 0.00 41.25 40.82 1ufg s ASN 73 CO -0.00 0.05 1.04 0.61 -2.57 0.00 0.00 177.10 176.23 1ufg n GLY 74 N 1.44 -0.13 4.15 0.66 0.00 -1.00 -1.92 105.19 108.39 1ufg n GLY 74 Ca -0.19 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1ufg n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ufg n ASP 75 N 0.93 -1.78 -3.47 1.61 9.92 -1.26 -4.92 116.55 117.58 1ufg n ASP 75 Ca 0.09 -1.26 -0.14 0.00 -0.53 0.00 0.00 54.79 52.95 1ufg n ASP 75 Cb 0.35 -1.82 -0.04 0.00 -0.64 0.00 0.00 41.12 38.98 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ufg s ASP 76 N -3.95 -0.58 0.49 -2.24 1.01 -0.81 -5.14 116.67 105.45 1ufg s ASP 76 Ca 0.25 0.27 -0.20 0.00 0.71 0.00 0.00 52.55 53.58 1ufg s ASP 76 Cb -0.13 0.56 -0.08 0.00 1.01 0.00 0.00 42.92 44.27 1ufg s ASP 76 CO 0.97 -0.80 1.04 -2.16 0.21 0.00 0.00 175.17 174.43 1ufg s PRO 77 N -2.72 3.77 -0.10 8.23 0.04 -1.26 -4.49 135.00 138.46 1ufg s PRO 77 Ca -0.03 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 1ufg s PRO 77 Cb -0.01 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ufg s PRO 77 CO -0.04 -0.45 0.74 -1.17 0.04 0.00 0.00 177.00 176.11 1ufg s LEU 78 N -3.56 4.26 0.04 -3.56 0.20 -1.26 -4.53 118.68 110.27 1ufg s LEU 78 Ca 0.67 1.17 0.01 0.00 0.69 0.00 0.00 54.13 56.67 1ufg s LEU 78 Cb -0.16 -3.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.44 1ufg s LEU 78 CO 0.21 -0.21 0.08 -0.04 -0.29 0.00 0.00 176.35 176.10 1ufg s MET 79 N 1.27 2.97 -0.32 1.98 -1.94 0.50 -4.93 119.30 118.83 1ufg s MET 79 Ca 0.37 -0.59 -0.00 0.00 -1.71 0.00 0.00 55.69 53.76 1ufg s MET 79 Cb -0.17 -2.79 0.10 0.00 2.01 0.00 0.00 34.83 33.98 1ufg s MET 79 CO 0.16 0.61 0.11 0.99 -0.01 0.00 0.00 175.02 176.88 1ufg s THR 80 N -1.29 0.99 -0.87 2.05 2.01 -1.26 0.14 115.64 117.41 1ufg s THR 80 Ca 0.26 -1.55 -0.22 0.00 0.31 0.00 0.00 61.69 60.50 1ufg s THR 80 Cb -0.12 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.73 1ufg s THR 80 CO 0.18 -0.69 1.19 -0.47 -0.69 0.00 0.00 174.62 174.14 1ufg s TYR 81 N 1.47 2.77 -0.29 4.92 5.04 0.14 -4.82 117.35 126.57 1ufg s TYR 81 Ca 0.11 -0.90 -0.29 0.00 -2.44 0.00 0.00 57.07 53.54 1ufg s TYR 81 Cb -0.18 -4.43 0.01 0.00 0.35 0.00 0.00 41.96 37.71 1ufg s TYR 81 CO -0.22 -1.71 1.09 0.50 -1.34 0.00 0.00 175.55 173.87 1ufg s ARG 82 N 3.95 4.10 1.04 4.97 3.52 -1.26 -0.51 118.95 134.76 1ufg s ARG 82 Ca 0.34 1.16 -0.12 0.00 -0.13 0.00 0.00 55.73 56.99 1ufg s ARG 82 Cb -0.07 -3.73 0.21 0.00 -1.56 0.00 0.00 34.95 29.81 1ufg s ARG 82 CO -0.02 -0.85 1.08 -0.06 -0.81 0.00 0.00 175.30 174.63 1ufg s PHE 83 N 3.59 1.66 0.39 5.12 0.08 0.20 -4.96 117.98 124.06 1ufg s PHE 83 Ca 0.46 1.35 -0.25 0.00 0.12 0.00 0.00 56.93 58.62 1ufg s PHE 83 Cb -0.13 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.04 1ufg s PHE 83 CO 0.14 -3.24 1.06 -1.25 -0.10 0.00 0.00 175.22 171.82 1ufg s PRO 84 N -4.63 4.21 0.00 0.24 0.04 -1.26 -4.17 135.00 129.42 1ufg s PRO 84 Ca 0.67 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ufg s PRO 84 Cb -0.23 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1ufg s PRO 84 CO 0.61 -0.11 0.45 -0.35 0.04 0.00 0.00 177.00 177.64 1ufg n PRO 85 N 0.05 0.75 -2.41 0.56 -0.04 -1.26 -2.59 135.00 130.07 1ufg n PRO 85 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ufg n PRO 85 Cb 0.49 -1.33 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.22 1.34 -4.65 0.54 4.76 -1.26 -4.72 118.16 114.39 1ufg n LYS 86 Ca 0.00 -3.13 -0.22 0.00 -2.87 0.00 0.00 58.31 52.09 1ufg n LYS 86 Cb 0.22 -1.20 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1ufg s PHE 87 N -2.76 1.30 -0.14 2.13 5.36 -1.07 -5.01 117.98 117.79 1ufg s PHE 87 Ca 0.30 -0.25 -0.04 0.00 -0.96 0.00 0.00 56.93 55.97 1ufg s PHE 87 Cb 0.34 -0.83 0.06 0.00 -0.34 0.00 0.00 43.02 42.25 1ufg s PHE 87 CO -0.07 -0.02 0.10 0.99 -1.46 0.00 0.00 175.22 174.77 1ufg s THR 88 N -0.38 -0.13 -0.85 0.12 2.01 -1.26 -0.59 115.64 114.55 1ufg s THR 88 Ca 0.05 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.79 1ufg s THR 88 Cb -0.06 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1ufg s THR 88 CO -0.00 -0.16 1.34 -0.22 -0.69 0.00 0.00 174.62 174.89 1ufg s LEU 89 N 2.18 3.37 1.01 4.42 2.96 0.25 -4.88 118.68 127.98 1ufg s LEU 89 Ca 0.03 -0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 52.87 1ufg s LEU 89 Cb -0.15 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.03 1ufg s LEU 89 CO -0.08 -1.68 -0.26 0.29 -1.32 0.00 0.00 176.35 173.30 1ufg n LYS 90 N 9.08 -1.34 -2.87 1.98 5.02 -1.26 -0.93 118.16 127.84 1ufg n LYS 90 Ca 0.15 -0.39 -0.40 0.00 -2.02 0.00 0.00 58.31 55.65 1ufg n LYS 90 Cb 0.50 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.11 3.35 0.00 7.82 0.00 -1.19 -3.19 121.76 126.44 1ufg s ALA 91 Ca 0.41 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1ufg s ALA 91 Cb -0.04 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ufg s ALA 91 CO 0.50 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1ufg n GLY 92 N 1.99 0.55 3.96 0.00 0.00 0.15 -4.91 105.19 106.92 1ufg n GLY 92 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.46 1.45 -0.08 1.61 1.11 -1.19 -4.76 119.66 117.34 1ufg s GLN 93 Ca 0.00 -0.73 -0.13 0.00 0.01 0.00 0.00 55.36 54.51 1ufg s GLN 93 Cb 0.00 -2.15 0.03 0.00 -1.01 0.00 0.00 33.01 29.88 1ufg s GLN 93 CO 0.00 -1.71 0.32 0.08 0.01 0.00 0.00 175.29 174.00 1ufg s VAL 94 N -3.39 0.02 -0.00 1.09 1.01 -1.26 -0.50 120.40 117.37 1ufg s VAL 94 Ca 0.67 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1ufg s VAL 94 Cb -0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1ufg s VAL 94 CO 0.47 -0.10 -0.13 0.54 0.00 0.00 0.00 175.10 175.88 1ufg s VAL 95 N -0.37 1.02 -0.09 2.92 0.11 0.16 -4.77 120.40 119.39 1ufg s VAL 95 Ca -0.05 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1ufg s VAL 95 Cb -0.03 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1ufg s VAL 95 CO 0.02 0.25 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.97 1ufg s THR 96 N -0.37 2.71 -0.60 5.04 2.01 -0.39 -0.02 115.64 124.01 1ufg s THR 96 Ca 0.04 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1ufg s THR 96 Cb -0.05 -2.08 0.15 0.00 0.01 0.00 0.00 72.50 70.53 1ufg s THR 96 CO -0.00 0.56 0.36 -0.63 -0.69 0.00 0.00 174.62 174.22 1ufg s ILE 97 N -0.06 2.76 0.93 1.82 1.09 0.11 0.17 121.20 128.02 1ufg s ILE 97 Ca -0.04 -3.71 -0.12 0.00 -1.10 0.00 0.00 60.65 55.68 1ufg s ILE 97 Cb -0.14 -2.87 0.15 0.00 -1.06 0.00 0.00 42.46 38.54 1ufg s ILE 97 CO 0.04 -0.89 1.10 0.26 -0.10 0.00 0.00 174.94 175.35 1ufg s TRP 98 N -0.77 2.31 -0.00 3.97 0.52 0.19 -1.14 118.94 124.03 1ufg s TRP 98 Ca 0.20 1.08 0.00 0.00 0.02 0.00 0.00 56.10 57.41 1ufg s TRP 98 Cb -0.17 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 1ufg s TRP 98 CO -0.07 -2.52 0.05 0.00 0.02 0.00 0.00 176.95 174.43 1ufg s ALA 99 N -3.02 3.47 0.29 0.98 0.00 0.11 0.90 121.76 124.48 1ufg s ALA 99 Ca 0.64 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1ufg s ALA 99 Cb -0.17 -1.49 0.75 0.00 0.00 0.00 0.00 23.12 22.21 1ufg s ALA 99 CO 0.56 0.68 1.42 0.45 0.00 0.00 0.00 175.76 178.87 1ufg n SER 100 N 1.24 -0.06 -4.01 0.00 2.88 0.40 -1.21 113.62 112.87 1ufg n SER 100 Ca -0.13 1.53 -0.40 0.00 -1.33 0.00 0.00 58.87 58.54 1ufg n SER 100 Cb 0.53 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.43 4.75 0.73 0.46 0.00 -0.26 -4.49 105.19 104.96 1ufg n GLY 101 Ca 0.23 -2.66 -0.01 0.00 0.00 0.00 0.00 46.02 43.58 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 1.69 2.41 -4.42 4.61 0.00 -0.35 -4.71 120.51 119.74 1ufg n ALA 102 Ca 0.25 -0.71 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 1ufg n ALA 102 Cb 0.36 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 0.07 -0.34 2.59 0.00 0.00 -1.26 -4.88 105.19 101.37 1ufg n GLY 103 Ca -0.05 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.25 0.47 -3.59 4.61 0.00 -1.26 -5.12 120.51 111.38 1ufg n ALA 104 Ca -0.01 -1.35 -0.22 0.00 0.00 0.00 0.00 53.44 51.86 1ufg n ALA 104 Cb 0.52 0.30 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.69 -0.19 -0.34 0.00 2.01 -1.26 -5.09 115.64 109.08 1ufg s THR 105 Ca 0.42 -0.02 -0.34 0.00 0.31 0.00 0.00 61.69 62.07 1ufg s THR 105 Cb -0.03 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.85 1ufg s THR 105 CO 0.28 -0.15 2.21 1.57 -0.69 0.00 0.00 174.62 177.83 1ufg n HIS 106 N 5.30 1.65 -3.18 4.92 -0.00 -1.26 -4.65 115.22 117.99 1ufg n HIS 106 Ca -0.06 0.20 -0.22 0.00 0.46 0.00 0.00 57.72 58.11 1ufg n HIS 106 Cb 0.49 -2.57 -0.05 0.00 -0.12 0.00 0.00 29.99 27.74 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 10.31 0.35 -4.79 0.26 7.64 -0.96 -4.97 113.62 121.46 1ufg n SER 107 Ca 0.40 -2.82 -0.29 0.00 1.01 0.00 0.00 58.87 57.17 1ufg n SER 107 Cb 0.27 -0.59 0.13 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.59 1.31 0.05 1.43 0.04 0.16 0.17 135.00 136.56 1ufg s PRO 108 Ca 0.37 0.35 0.22 0.00 0.04 0.00 0.00 61.00 61.98 1ufg s PRO 108 Cb 0.23 -1.85 0.92 0.00 0.04 0.00 0.00 34.50 33.84 1ufg s PRO 108 CO -0.10 -2.10 1.71 -0.35 0.04 0.00 0.00 177.00 176.20 1ufg n PRO 109 N -3.71 0.05 0.00 0.56 -0.04 -1.26 -4.74 135.00 125.86 1ufg n PRO 109 Ca 0.07 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1ufg n PRO 109 Cb 0.59 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.66 0.00 -2.52 0.52 -2.24 -1.16 -4.74 114.28 102.49 1ufg n THR 110 Ca 0.05 0.73 -0.36 0.00 -2.27 0.00 0.00 64.05 62.20 1ufg n THR 110 Cb 0.27 -1.73 -0.04 0.00 -2.10 0.00 0.00 70.33 66.73 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 -2.00 6.60 0.07 3.42 1.11 0.44 -1.26 116.67 125.06 1ufg s ASP 111 Ca 0.00 2.04 -0.01 0.00 0.18 0.00 0.00 52.55 54.75 1ufg s ASP 111 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1ufg s ASP 111 CO 0.00 -0.60 0.00 -0.76 1.18 0.00 0.00 175.17 174.99 1ufg s LEU 112 N -2.88 2.26 -0.07 1.23 1.43 0.46 0.36 118.68 121.47 1ufg s LEU 112 Ca 0.61 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1ufg s LEU 112 Cb -0.21 0.27 0.01 0.00 0.03 0.00 0.00 46.19 46.29 1ufg s LEU 112 CO 0.26 -0.64 -0.12 -0.69 0.23 0.00 0.00 176.35 175.40 1ufg s VAL 113 N -3.95 1.14 -0.50 -1.59 1.01 -1.26 0.57 120.40 115.82 1ufg s VAL 113 Ca 0.11 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 1ufg s VAL 113 Cb 0.08 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1ufg s VAL 113 CO -0.07 0.36 0.87 0.86 0.00 0.00 0.00 175.10 177.11 1ufg s TRP 114 N 0.79 2.90 -0.06 5.22 -0.11 0.26 -4.85 118.94 123.08 1ufg s TRP 114 Ca -0.12 0.08 -0.01 0.00 1.22 0.00 0.00 56.10 57.26 1ufg s TRP 114 Cb -0.15 -3.89 -0.26 0.00 -1.50 0.00 0.00 33.47 27.67 1ufg s TRP 114 CO 0.02 -1.17 0.60 0.87 -4.62 0.00 0.00 176.95 172.65 1ufg h LYS 115 N 9.14 0.20 -0.36 5.86 1.57 -1.94 1.17 116.57 132.20 1ufg h LYS 115 Ca -0.25 -0.34 0.06 0.00 -1.87 0.00 0.00 60.65 58.24 1ufg h LYS 115 Cb 1.08 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1ufg h LYS 115 CO 1.03 1.01 0.04 0.00 -0.57 0.00 0.00 179.45 180.95 1ufg h ALA 116 N 0.43 0.36 -1.21 3.86 0.00 -2.00 -3.43 119.26 117.27 1ufg h ALA 116 Ca -0.33 0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.22 1ufg h ALA 116 Cb 2.03 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.97 1ufg h ALA 116 CO 0.11 -0.37 -0.21 -0.65 0.00 0.00 0.00 179.25 178.14 1ufg s GLN 117 N -6.17 2.64 -0.01 0.00 -1.52 -1.26 -5.04 119.66 108.31 1ufg s GLN 117 Ca -0.13 -1.39 0.07 0.00 -1.95 0.00 0.00 55.36 51.96 1ufg s GLN 117 Cb 0.13 -2.71 -0.11 0.00 -0.22 0.00 0.00 33.01 30.09 1ufg s GLN 117 CO 0.71 -0.47 0.16 0.27 -0.25 0.00 0.00 175.29 175.70 1ufg n ASN 118 N -1.98 3.31 -3.74 5.90 0.23 -1.26 -3.60 115.26 114.11 1ufg n ASN 118 Ca 0.11 -0.01 -0.09 0.00 -0.53 0.00 0.00 54.58 54.06 1ufg n ASN 118 Cb 0.60 1.32 -0.02 0.00 -2.08 0.00 0.00 39.78 39.60 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 -2.48 0.00 -0.42 5.53 -1.32 -1.26 -1.10 115.64 114.60 1ufg s THR 119 Ca -0.03 -0.75 0.01 0.00 -1.21 0.00 0.00 61.69 59.71 1ufg s THR 119 Cb 0.05 -1.70 0.42 0.00 -1.51 0.00 0.00 72.50 69.75 1ufg s THR 119 CO 0.30 -0.02 1.85 0.79 -2.21 0.00 0.00 174.62 175.33 1ufg n TRP 120 N -0.42 2.36 -1.07 9.09 7.02 -0.51 -4.98 117.44 128.93 1ufg n TRP 120 Ca -0.08 -2.00 0.00 0.00 -1.02 0.00 0.00 57.50 54.40 1ufg n TRP 120 Cb 0.61 -0.99 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 1ufg n TRP 120 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ufg n GLY 121 N -0.53 -3.83 1.82 6.99 0.00 -1.26 -4.52 105.19 103.86 1ufg n GLY 121 Ca 0.46 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 0.83 3.23 0.13 0.00 0.00 -1.26 -4.62 105.19 103.49 1ufg n GLY 123 Ca -0.04 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.07 -3.48 1.61 4.64 -1.94 -3.39 113.55 110.92 1ufg h SER 124 Ca 0.00 0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.77 1ufg h SER 124 Cb 0.00 0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.07 1ufg h SER 124 CO 0.00 -0.00 -0.19 -0.44 -0.87 0.00 0.00 176.83 175.33 1ufg s SER 125 N -5.26 6.44 0.09 4.97 0.01 -1.26 0.19 113.70 118.88 1ufg s SER 125 Ca -0.13 0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.68 1ufg s SER 125 Cb 0.11 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1ufg s SER 125 CO 0.70 -0.09 -0.09 -0.76 0.41 0.00 0.00 173.24 173.41 1ufg s LEU 126 N 1.34 2.40 -0.23 2.44 1.43 0.27 -2.39 118.68 123.94 1ufg s LEU 126 Ca 0.19 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.39 1ufg s LEU 126 Cb -0.15 -0.22 0.09 0.00 0.03 0.00 0.00 46.19 45.95 1ufg s LEU 126 CO 0.08 -0.30 0.52 -0.60 0.23 0.00 0.00 176.35 176.27 1ufg s ARG 127 N -2.82 0.46 0.18 1.70 3.52 0.58 -1.26 118.95 121.30 1ufg s ARG 127 Ca 0.04 1.13 0.11 0.00 -0.13 0.00 0.00 55.73 56.88 1ufg s ARG 127 Cb -0.02 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.70 1ufg s ARG 127 CO -0.01 -0.21 -0.24 0.99 -0.81 0.00 0.00 175.30 175.02 1ufg s THR 128 N 2.32 2.39 0.10 4.11 2.01 -0.36 0.07 115.64 126.28 1ufg s THR 128 Ca -0.06 -1.94 -0.16 0.00 0.31 0.00 0.00 61.69 59.84 1ufg s THR 128 Cb -0.10 -2.13 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1ufg s THR 128 CO -0.15 -0.07 0.39 0.00 -0.69 0.00 0.00 174.62 174.10 1ufg s ALA 129 N -1.53 -0.90 -0.09 7.40 0.00 0.10 -0.38 121.76 126.37 1ufg s ALA 129 Ca 0.19 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1ufg s ALA 129 Cb -0.08 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1ufg s ALA 129 CO 0.09 -0.59 -0.21 -1.17 0.00 0.00 0.00 175.76 173.89 1ufg s LEU 130 N -2.62 1.96 -0.19 0.00 2.96 -0.19 0.83 118.68 121.43 1ufg s LEU 130 Ca 0.01 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1ufg s LEU 130 Cb 0.01 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 1ufg s LEU 130 CO -0.10 0.12 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.34 1ufg s ILE 131 N 0.46 3.11 0.48 6.68 -1.09 0.69 -1.16 121.20 130.36 1ufg s ILE 131 Ca -0.17 -0.60 -0.08 0.00 -2.23 0.00 0.00 60.65 57.57 1ufg s ILE 131 Cb -0.17 -2.38 0.12 0.00 -1.58 0.00 0.00 42.46 38.45 1ufg s ILE 131 CO 0.07 0.47 0.52 -0.46 -1.23 0.00 0.00 174.94 174.31 1ufg n ASN 132 N 4.45 -0.75 -0.28 3.58 0.23 -0.54 0.19 115.26 122.15 1ufg n ASN 132 Ca -0.19 -0.99 -0.07 0.00 -0.53 0.00 0.00 54.58 52.80 1ufg n ASN 132 Cb 0.51 -0.44 -0.07 0.00 -2.08 0.00 0.00 39.78 37.71 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 -3.60 -0.71 -4.84 0.53 3.41 -1.26 -4.34 113.62 102.81 1ufg n SER 133 Ca 0.07 1.28 -0.31 0.00 -0.26 0.00 0.00 58.87 59.65 1ufg n SER 133 Cb 0.25 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1ufg n SER 133 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ufg s THR 134 N -5.10 4.27 -0.65 6.66 -4.23 -1.26 -4.82 115.64 110.51 1ufg s THR 134 Ca -0.08 0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1ufg s THR 134 Cb 0.07 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1ufg s THR 134 CO 0.41 -0.96 1.83 0.61 -0.54 0.00 0.00 174.62 175.97 1ufg n GLY 135 N -2.29 2.70 2.94 3.99 0.00 -1.26 -4.75 105.19 106.52 1ufg n GLY 135 Ca 0.07 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 3.73 0.30 0.26 1.61 2.12 -1.26 -5.04 118.70 120.42 1ufg s GLU 136 Ca 0.29 -0.16 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 1ufg s GLU 136 Cb 0.08 -0.28 -0.09 0.00 0.26 0.00 0.00 34.13 34.10 1ufg s GLU 136 CO -0.02 0.07 0.80 -2.00 -0.54 0.00 0.00 175.26 173.57 1ufg s GLU 137 N -0.15 4.33 -0.07 4.30 2.12 -1.26 -1.46 118.70 126.50 1ufg s GLU 137 Ca 0.01 1.00 0.01 0.00 0.36 0.00 0.00 54.97 56.34 1ufg s GLU 137 Cb -0.02 -2.80 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 1ufg s GLU 137 CO -0.00 0.33 -0.06 1.33 -0.54 0.00 0.00 175.26 176.32 1ufg n VAL 138 N 0.55 0.43 -3.99 3.70 0.24 -0.31 -4.91 118.33 114.05 1ufg n VAL 138 Ca -0.00 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.03 1ufg n VAL 138 Cb 0.51 -0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.15 0.18 0.03 2.33 0.00 -1.25 0.20 121.76 121.09 1ufg s ALA 139 Ca -0.10 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1ufg s ALA 139 Cb 0.03 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.80 1ufg s ALA 139 CO 0.18 -0.53 0.20 0.00 0.00 0.00 0.00 175.76 175.61 1ufg s MET 140 N -3.94 0.65 -0.34 0.00 0.00 0.21 -1.03 119.30 114.85 1ufg s MET 140 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 55.69 55.28 1ufg s MET 140 Cb 0.05 0.27 0.13 0.00 0.00 0.00 0.00 34.83 35.29 1ufg s MET 140 CO -0.05 -0.18 0.22 0.50 0.00 0.00 0.00 175.02 175.51 1ufg s ARG 141 N -2.21 0.46 0.25 3.16 3.52 0.49 0.29 118.95 124.91 1ufg s ARG 141 Ca -0.08 -0.98 -0.13 0.00 -0.13 0.00 0.00 55.73 54.41 1ufg s ARG 141 Cb -0.03 -1.12 -0.08 0.00 -1.56 0.00 0.00 34.95 32.16 1ufg s ARG 141 CO -0.02 -1.15 0.63 0.21 -0.81 0.00 0.00 175.30 174.15 1ufg s LYS 142 N 1.46 3.92 -0.28 5.12 2.36 -0.38 -1.23 119.74 130.71 1ufg s LYS 142 Ca 0.15 0.48 -0.05 0.00 -2.55 0.00 0.00 55.97 54.00 1ufg s LYS 142 Cb -0.19 -2.62 0.15 0.00 -1.05 0.00 0.00 37.83 34.11 1ufg s LYS 142 CO -0.11 0.29 0.57 -0.51 1.55 0.00 0.00 175.35 177.14 1ufg s LEU 143 N -2.71 -1.14 0.15 5.43 1.02 -0.39 -0.11 118.68 120.94 1ufg s LEU 143 Ca 0.48 1.09 0.09 0.00 0.02 0.00 0.00 54.13 55.81 1ufg s LEU 143 Cb -0.12 2.02 -0.04 0.00 0.02 0.00 0.00 46.19 48.07 1ufg s LEU 143 CO 0.20 -0.25 -0.21 0.54 0.02 0.00 0.00 176.35 176.65 1ufg s VAL 144 N 2.81 1.95 -0.10 -1.59 0.11 -1.25 0.94 120.40 123.28 1ufg s VAL 144 Ca 0.07 -1.84 -0.06 0.00 -2.93 0.00 0.00 61.98 57.23 1ufg s VAL 144 Cb -0.14 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1ufg s VAL 144 CO -0.19 -0.17 0.12 -0.60 -3.33 0.00 0.00 175.10 170.94 1ufg s ARG 145 N -2.48 3.37 0.00 1.54 3.52 0.50 0.21 118.95 125.61 1ufg s ARG 145 Ca 0.14 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1ufg s ARG 145 Cb -0.08 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1ufg s ARG 145 CO 0.07 0.76 0.00 0.45 -0.81 0.00 0.00 175.30 175.77 1ufg n SER 146 N 1.91 0.00 0.00 -2.12 2.88 -1.26 -4.74 113.62 110.29 1ufg n SER 146 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1ufg n SER 146 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1ufg n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufg n GLY 147 N 0.00 4.35 0.10 0.46 0.00 -1.26 -4.78 105.19 104.05 1ufg n GLY 147 Ca 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 1ufg n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufg h PRO 148 N 0.00 -0.19 -7.28 1.61 0.13 -1.98 -3.46 132.00 120.83 1ufg h PRO 148 Ca 0.00 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.66 1ufg h PRO 148 Cb 0.00 0.04 0.17 0.00 0.13 0.00 0.00 31.00 31.34 1ufg h PRO 148 CO 0.00 -0.13 0.20 -1.54 -0.23 0.00 0.00 178.00 176.30 1ufg s SER 149 N -4.13 2.87 -0.11 1.44 1.04 -1.26 -5.05 113.70 108.51 1ufg s SER 149 Ca -0.03 1.67 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 1ufg s SER 149 Cb 0.00 -2.31 0.05 0.00 0.10 0.00 0.00 66.02 63.86 1ufg s SER 149 CO 0.09 -3.04 0.07 -0.44 0.98 0.00 0.00 173.24 170.90 1ufg s SER 150 N -3.06 1.81 0.00 7.02 0.01 -1.26 -5.07 113.70 113.14 1ufg s SER 150 Ca 0.65 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1ufg s SER 150 Cb -0.20 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1ufg s SER 150 CO 0.59 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.54