#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 -0.33 -0.13 1.61 1.04 -1.26 -5.18 113.70 109.45 1ufg s SER 2 Ca 0.00 0.63 -0.33 0.00 0.48 0.00 0.00 55.95 56.73 1ufg s SER 2 Cb 0.00 0.63 0.13 0.00 0.10 0.00 0.00 66.02 66.88 1ufg s SER 2 CO 0.00 -0.12 1.10 -0.94 0.98 0.00 0.00 173.24 174.26 1ufg s SER 3 N 0.10 -0.22 0.00 7.02 1.04 -1.26 -5.15 113.70 115.23 1ufg s SER 3 Ca 0.04 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1ufg s SER 3 Cb -0.05 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1ufg s SER 3 CO -0.09 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1ufg n GLY 4 N -0.08 1.46 3.56 7.32 0.00 -1.26 -5.19 105.19 111.00 1ufg n GLY 4 Ca -0.03 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.36 0.17 1.61 0.15 -1.26 -5.19 113.70 108.83 1ufg s SER 5 Ca 0.00 0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.97 1ufg s SER 5 Cb 0.00 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1ufg s SER 5 CO 0.00 -0.40 0.03 -0.94 1.20 0.00 0.00 173.24 173.13 1ufg s SER 6 N -1.44 0.93 0.00 5.45 1.04 -1.26 -5.15 113.70 113.28 1ufg s SER 6 Ca -0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1ufg s SER 6 Cb -0.01 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1ufg s SER 6 CO -0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1ufg n GLY 7 N -0.23 4.80 3.59 7.32 0.00 -1.26 -5.18 105.19 114.23 1ufg n GLY 7 Ca -0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 1ufg n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufg s GLN 8 N -4.37 0.39 -0.30 1.61 -0.21 -1.26 -5.17 119.66 110.36 1ufg s GLN 8 Ca 0.00 -0.06 -0.16 0.00 0.02 0.00 0.00 55.36 55.16 1ufg s GLN 8 Cb 0.00 0.18 0.20 0.00 1.00 0.00 0.00 33.01 34.39 1ufg s GLN 8 CO 0.00 -0.15 1.21 -1.54 -2.12 0.00 0.00 175.29 172.68 1ufg s SER 9 N -1.77 -0.15 -0.26 5.90 1.04 -1.26 -5.17 113.70 112.03 1ufg s SER 9 Ca 0.06 0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.59 1ufg s SER 9 Cb -0.01 1.09 0.08 0.00 0.10 0.00 0.00 66.02 67.28 1ufg s SER 9 CO -0.04 -0.04 0.62 -1.10 0.98 0.00 0.00 173.24 173.66 1ufg s GLN 10 N 1.28 0.63 -0.23 4.02 -0.21 -1.26 -5.16 119.66 118.72 1ufg s GLN 10 Ca -0.07 1.14 -0.29 0.00 0.02 0.00 0.00 55.36 56.16 1ufg s GLN 10 Cb -0.02 0.14 0.16 0.00 1.00 0.00 0.00 33.01 34.29 1ufg s GLN 10 CO -0.12 -0.16 1.20 0.20 -2.12 0.00 0.00 175.29 174.30 1ufg s GLY 11 N 1.65 -0.06 -0.20 3.09 0.00 -1.26 -5.19 107.32 105.35 1ufg s GLY 11 Ca -0.10 2.51 -0.33 0.00 0.00 0.00 0.00 44.72 46.80 1ufg s GLY 11 CO -0.18 1.11 1.21 -0.32 0.00 0.00 0.00 173.10 174.92 1ufg s GLY 12 N -1.00 -0.20 0.00 0.20 0.00 -1.26 -5.14 107.32 99.92 1ufg s GLY 12 Ca 0.04 1.94 0.00 0.00 0.00 0.00 0.00 44.72 46.70 1ufg s GLY 12 CO -0.04 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.41 1ufg n GLY 13 N 0.17 -0.55 3.64 0.20 0.00 -1.26 -5.18 105.19 102.21 1ufg n GLY 13 Ca -0.01 0.66 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 1ufg n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufg s SER 14 N 0.00 -0.73 0.36 1.61 0.01 -1.26 -5.15 113.70 108.54 1ufg s SER 14 Ca 0.00 1.27 -0.26 0.00 1.31 0.00 0.00 55.95 58.27 1ufg s SER 14 Cb 0.00 1.30 -0.09 0.00 0.21 0.00 0.00 66.02 67.44 1ufg s SER 14 CO 0.00 -0.21 1.10 -0.69 0.41 0.00 0.00 173.24 173.85 1ufg s VAL 15 N 0.95 3.50 -0.61 3.43 1.01 -1.26 -4.99 120.40 122.43 1ufg s VAL 15 Ca -0.04 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.29 1ufg s VAL 15 Cb -0.05 -3.73 0.27 0.00 0.00 0.00 0.00 36.38 32.87 1ufg s VAL 15 CO -0.10 0.14 0.77 0.35 0.00 0.00 0.00 175.10 176.26 1ufg n THR 16 N 0.37 2.29 0.01 3.92 -2.24 -1.26 -4.78 114.28 112.59 1ufg n THR 16 Ca 0.03 -5.22 -0.03 0.00 -2.27 0.00 0.00 64.05 56.56 1ufg n THR 16 Cb 0.47 -1.93 -0.01 0.00 -2.10 0.00 0.00 70.33 66.77 1ufg n THR 16 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ufg n LYS 17 N 0.65 0.09 0.00 -0.78 4.81 -1.26 -5.01 118.16 116.67 1ufg n LYS 17 Ca 0.30 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1ufg n LYS 17 Cb 0.42 -0.66 0.00 0.00 0.02 0.00 0.00 35.03 34.81 1ufg n LYS 17 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ufg n LYS 18 N -3.48 0.00 -1.90 1.64 5.02 -1.26 -4.76 118.16 113.41 1ufg n LYS 18 Ca -0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.23 1ufg n LYS 18 Cb 0.28 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.28 1ufg n LYS 18 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ufg n ARG 19 N 0.00 -1.44 -4.96 1.97 3.00 -1.26 -5.07 116.66 108.89 1ufg n ARG 19 Ca 0.00 1.44 -0.28 0.00 -0.00 0.00 0.00 57.85 59.01 1ufg n ARG 19 Cb 0.00 -2.49 -0.15 0.00 0.00 0.00 0.00 32.46 29.82 1ufg n ARG 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1ufg s LYS 20 N -0.74 1.70 -1.00 -0.14 -2.85 -1.26 -5.06 119.74 110.38 1ufg s LYS 20 Ca -0.06 -0.87 -0.02 0.00 -1.00 0.00 0.00 55.97 54.02 1ufg s LYS 20 Cb 0.00 -1.71 0.30 0.00 -2.06 0.00 0.00 37.83 34.36 1ufg s LYS 20 CO 0.28 0.46 1.35 1.28 0.10 0.00 0.00 175.35 178.82 1ufg n LEU 21 N 2.27 5.95 -3.40 2.77 4.77 -1.26 -4.85 117.00 123.25 1ufg n LEU 21 Ca -0.16 -5.25 -0.29 0.00 -0.03 0.00 0.00 56.01 50.27 1ufg n LEU 21 Cb 0.53 -1.17 0.03 0.00 -2.33 0.00 0.00 43.42 40.47 1ufg n LEU 21 CO 0.23 1.75 -0.30 -0.62 -1.33 0.00 0.00 177.39 177.12 1ufg n GLU 22 N 1.27 -1.67 -3.52 3.23 -0.58 -1.26 -4.95 120.64 113.15 1ufg n GLU 22 Ca 0.27 1.37 -0.28 0.00 -0.42 0.00 0.00 57.16 58.09 1ufg n GLU 22 Cb 0.35 -2.11 -0.11 0.00 -0.57 0.00 0.00 31.44 28.99 1ufg n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ufg s SER 23 N -1.45 2.60 0.10 1.62 1.04 -1.26 -5.11 113.70 111.24 1ufg s SER 23 Ca 0.30 -2.85 0.09 0.00 0.48 0.00 0.00 55.95 53.97 1ufg s SER 23 Cb -0.03 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 1ufg s SER 23 CO 0.70 -0.21 -0.20 -0.55 0.98 0.00 0.00 173.24 173.96 1ufg s SER 24 N 0.21 3.72 -0.29 7.02 0.15 -1.26 -5.06 113.70 118.18 1ufg s SER 24 Ca 0.25 -0.56 -0.27 0.00 0.70 0.00 0.00 55.95 56.07 1ufg s SER 24 Cb -0.09 -0.49 0.19 0.00 -1.71 0.00 0.00 66.02 63.92 1ufg s SER 24 CO -0.10 0.20 1.39 -1.83 1.20 0.00 0.00 173.24 174.10 1ufg s GLU 25 N -1.90 0.08 -0.17 5.44 -1.05 -1.26 -5.07 118.70 114.77 1ufg s GLU 25 Ca 0.16 0.05 -0.15 0.00 -0.15 0.00 0.00 54.97 54.88 1ufg s GLU 25 Cb -0.10 0.04 0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1ufg s GLU 25 CO 0.08 -0.02 0.26 0.45 0.95 0.00 0.00 175.26 176.98 1ufg n SER 26 N 1.06 -6.15 -4.06 0.83 2.88 -1.26 -4.93 113.62 101.98 1ufg n SER 26 Ca -0.05 0.19 -0.32 0.00 -1.33 0.00 0.00 58.87 57.35 1ufg n SER 26 Cb 0.58 -1.61 -0.15 0.00 -0.75 0.00 0.00 64.21 62.28 1ufg n SER 26 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ufg s ARG 27 N -1.56 2.03 -0.30 -1.46 3.00 -1.26 -4.94 118.95 114.46 1ufg s ARG 27 Ca 0.15 -1.51 -0.07 0.00 -1.00 0.00 0.00 55.73 53.31 1ufg s ARG 27 Cb -0.02 -3.02 0.18 0.00 0.00 0.00 0.00 34.95 32.09 1ufg s ARG 27 CO 0.34 -0.69 0.77 0.45 0.00 0.00 0.00 175.30 176.17 1ufg s SER 28 N 1.07 -1.02 0.40 -2.12 0.15 -1.26 -5.12 113.70 105.80 1ufg s SER 28 Ca -0.03 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1ufg s SER 28 Cb -0.20 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.02 1ufg s SER 28 CO -0.06 -0.19 0.00 -0.24 1.20 0.00 0.00 173.24 173.95 1ufg n SER 29 N 5.40 -6.68 -1.53 5.45 2.88 -1.26 -4.97 113.62 112.91 1ufg n SER 29 Ca -0.05 0.96 0.01 0.00 -1.33 0.00 0.00 58.87 58.47 1ufg n SER 29 Cb 0.52 -3.36 -0.01 0.00 -0.75 0.00 0.00 64.21 60.61 1ufg n SER 29 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ufg n PHE 30 N -1.00 -3.85 -1.71 0.66 3.01 -1.26 -4.38 117.46 108.94 1ufg n PHE 30 Ca 0.00 2.09 -0.40 0.00 1.01 0.00 0.00 57.45 60.15 1ufg n PHE 30 Cb 0.02 -3.24 -0.01 0.00 -0.01 0.00 0.00 39.48 36.24 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 -2.71 7.33 -4.57 4.37 7.64 0.58 -4.82 113.62 121.45 1ufg n SER 31 Ca -0.01 -2.85 -0.43 0.00 1.01 0.00 0.00 58.87 56.59 1ufg n SER 31 Cb 0.45 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 3.46 1.15 -2.96 1.43 0.00 -1.26 -3.99 117.38 115.20 1ufg n GLN 32 Ca 0.65 0.41 -0.08 0.00 -0.00 0.00 0.00 57.00 57.98 1ufg n GLN 32 Cb 0.28 -1.84 -0.02 0.00 0.00 0.00 0.00 30.24 28.66 1ufg n GLN 32 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1ufg s HIS 33 N -1.23 -1.06 0.27 3.69 3.76 0.60 -4.93 115.29 116.39 1ufg s HIS 33 Ca 0.62 -0.81 0.06 0.00 -0.15 0.00 0.00 55.06 54.77 1ufg s HIS 33 Cb -0.62 0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 1ufg s HIS 33 CO 0.58 -1.17 0.39 0.00 -0.85 0.00 0.00 174.74 173.69 1ufg s ALA 34 N 0.87 4.01 -0.30 -1.40 0.00 -1.26 -1.19 121.76 122.49 1ufg s ALA 34 Ca 0.28 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1ufg s ALA 34 Cb -0.01 -1.69 0.19 0.00 0.00 0.00 0.00 23.12 21.62 1ufg s ALA 34 CO -0.08 0.15 0.62 0.50 0.00 0.00 0.00 175.76 176.96 1ufg s ARG 35 N -4.03 0.54 0.34 0.00 6.06 0.12 -4.93 118.95 117.05 1ufg s ARG 35 Ca 0.37 0.80 -0.17 0.00 -2.50 0.00 0.00 55.73 54.23 1ufg s ARG 35 Cb -0.09 0.43 -0.09 0.00 0.06 0.00 0.00 34.95 35.25 1ufg s ARG 35 CO 0.29 -0.74 0.80 0.99 -2.50 0.00 0.00 175.30 174.14 1ufg s THR 36 N 2.86 4.57 -0.48 4.11 2.01 -1.26 -0.56 115.64 126.89 1ufg s THR 36 Ca 0.16 1.16 0.06 0.00 0.31 0.00 0.00 61.69 63.39 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 -0.22 -0.17 0.63 -0.55 -0.69 0.00 0.00 174.62 173.62 1ufg s SER 37 N -2.16 -0.86 0.00 3.53 0.15 0.52 -4.91 113.70 109.97 1ufg s SER 37 Ca 0.55 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1ufg s SER 37 Cb -0.11 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1ufg s SER 37 CO 0.17 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1ufg n GLY 38 N 3.23 -0.39 0.10 9.45 0.00 -1.24 -4.28 105.19 112.06 1ufg n GLY 38 Ca 0.18 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.66 -3.13 1.61 1.74 -1.26 -4.85 116.66 111.44 1ufg n ARG 39 Ca 0.00 0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 56.94 1ufg n ARG 39 Cb 0.00 -1.43 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.42 4.82 -0.06 1.55 1.01 -1.26 -0.20 120.40 123.84 1ufg s VAL 40 Ca -0.25 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1ufg s VAL 40 Cb 0.07 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1ufg s VAL 40 CO 0.52 -0.58 0.29 0.00 0.00 0.00 0.00 175.10 175.34 1ufg s ALA 41 N -2.47 -0.72 -1.09 5.51 0.00 0.12 -4.56 121.76 118.55 1ufg s ALA 41 Ca 0.43 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 1ufg s ALA 41 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 1ufg s ALA 41 CO 0.38 -0.20 1.75 0.08 0.00 0.00 0.00 175.76 177.77 1ufg s VAL 42 N -0.68 3.76 0.12 0.00 1.01 -1.26 -0.29 120.40 123.07 1ufg s VAL 42 Ca -0.08 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 1ufg s VAL 42 Cb -0.04 -4.72 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 1ufg s VAL 42 CO 0.02 -1.50 1.36 1.21 0.00 0.00 0.00 175.10 176.20 1ufg n GLU 43 N 8.63 -0.33 -3.64 2.72 0.00 -0.81 -4.65 120.64 122.56 1ufg n GLU 43 Ca 0.41 1.34 -0.07 0.00 0.00 0.00 0.00 57.16 58.85 1ufg n GLU 43 Cb 0.48 -1.98 -0.07 0.00 0.00 0.00 0.00 31.44 29.87 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 -4.97 0.61 -0.32 5.31 2.56 -0.49 -4.98 118.70 116.41 1ufg s GLU 44 Ca -0.09 0.96 0.03 0.00 0.00 0.00 0.00 54.97 55.88 1ufg s GLU 44 Cb 0.08 0.17 0.09 0.00 2.00 0.00 0.00 34.13 36.47 1ufg s GLU 44 CO 0.47 -0.11 0.01 0.08 -0.56 0.00 0.00 175.26 175.15 1ufg s VAL 45 N 1.24 2.29 -0.48 3.70 1.01 -1.26 0.45 120.40 127.36 1ufg s VAL 45 Ca -0.07 -2.14 -0.40 0.00 0.00 0.00 0.00 61.98 59.37 1ufg s VAL 45 Cb -0.05 -2.60 -0.16 0.00 0.00 0.00 0.00 36.38 33.57 1ufg s VAL 45 CO -0.14 -0.45 2.20 -0.67 0.00 0.00 0.00 175.10 176.04 1ufg n ASP 46 N 4.31 1.22 -0.05 3.32 2.03 -1.00 -4.74 116.55 121.64 1ufg n ASP 46 Ca -0.01 0.53 0.14 0.00 0.52 0.00 0.00 54.79 55.97 1ufg n ASP 46 Cb 0.42 -1.04 0.55 0.00 -0.72 0.00 0.00 41.12 40.33 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 10.54 0.29 -0.66 -0.67 4.11 -1.91 0.90 114.58 127.18 1ufg h GLU 47 Ca -0.16 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.34 1ufg h GLU 47 Cb 1.38 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1ufg h GLU 47 CO 1.09 0.19 0.44 0.93 0.07 0.00 0.00 179.01 181.73 1ufg h GLU 48 N 0.30 0.57 -0.76 1.06 4.39 -1.85 -3.40 114.58 114.89 1ufg h GLU 48 Ca 0.26 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ufg h GLU 48 Cb 0.62 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1ufg h GLU 48 CO -0.06 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.57 1ufg n GLY 49 N -1.48 0.75 1.21 -3.84 0.00 0.31 -3.61 105.19 98.53 1ufg n GLY 49 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.33 0.00 -3.87 1.61 5.02 -1.26 -3.25 118.16 116.09 1ufg n LYS 50 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1ufg n LYS 50 Cb 0.13 -0.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.65 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 0.11 -0.23 2.13 -0.12 -1.26 0.34 117.98 116.95 1ufg s PHE 51 Ca 0.00 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 1ufg s PHE 51 Cb 0.00 -0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1ufg s PHE 51 CO 0.00 -0.45 -0.14 0.08 -0.05 0.00 0.00 175.22 174.67 1ufg s VAL 52 N -2.90 2.26 -0.21 -2.49 1.01 -0.14 -2.38 120.40 115.55 1ufg s VAL 52 Ca -0.02 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 1ufg s VAL 52 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1ufg s VAL 52 CO -0.06 0.24 0.33 -0.13 0.00 0.00 0.00 175.10 175.48 1ufg s ARG 53 N 1.22 4.16 -0.10 2.72 0.52 0.17 0.04 118.95 127.68 1ufg s ARG 53 Ca -0.02 0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 1ufg s ARG 53 Cb -0.17 -3.52 0.01 0.00 0.52 0.00 0.00 34.95 31.79 1ufg s ARG 53 CO -0.08 0.02 -0.16 -0.51 0.02 0.00 0.00 175.30 174.58 1ufg s LEU 54 N 1.16 1.78 0.08 2.53 1.43 0.85 -1.39 118.68 125.12 1ufg s LEU 54 Ca 0.16 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1ufg s LEU 54 Cb -0.14 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1ufg s LEU 54 CO 0.07 0.04 -0.25 -0.60 0.23 0.00 0.00 176.35 175.84 1ufg s ARG 55 N 0.82 1.70 -0.04 1.70 3.52 0.60 0.59 118.95 127.83 1ufg s ARG 55 Ca -0.10 -1.18 -0.15 0.00 -0.13 0.00 0.00 55.73 54.16 1ufg s ARG 55 Cb -0.16 -2.00 -0.05 0.00 -1.56 0.00 0.00 34.95 31.19 1ufg s ARG 55 CO 0.01 0.49 0.41 1.21 -0.81 0.00 0.00 175.30 176.61 1ufg s ASN 56 N -1.65 6.75 -0.09 -2.12 3.84 -0.09 0.13 114.94 121.69 1ufg s ASN 56 Ca 0.14 0.89 0.17 0.00 0.21 0.00 0.00 52.86 54.26 1ufg s ASN 56 Cb -0.10 -2.25 -0.25 0.00 -0.55 0.00 0.00 41.25 38.10 1ufg s ASN 56 CO 0.05 0.23 0.24 0.29 -2.79 0.00 0.00 177.10 175.11 1ufg n LYS 57 N 2.41 0.88 -0.61 0.43 4.76 0.72 -2.97 118.16 123.78 1ufg n LYS 57 Ca -0.12 -0.09 -0.28 0.00 -2.87 0.00 0.00 58.31 54.94 1ufg n LYS 57 Cb 0.52 -1.44 0.24 0.00 -1.84 0.00 0.00 35.03 32.52 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 -4.58 1.23 -0.14 4.39 1.04 -0.44 -4.77 113.70 110.44 1ufg s SER 58 Ca -0.08 1.53 0.19 0.00 0.48 0.00 0.00 55.95 58.07 1ufg s SER 58 Cb 0.08 -2.28 -0.27 0.00 0.10 0.00 0.00 66.02 63.65 1ufg s SER 58 CO 0.73 -4.05 0.21 -0.46 0.98 0.00 0.00 173.24 170.65 1ufg n ASN 59 N -4.82 0.15 -4.75 7.02 0.23 -1.26 -3.29 115.26 108.55 1ufg n ASN 59 Ca 0.04 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.71 1ufg n ASN 59 Cb 0.54 1.33 -0.06 0.00 -2.08 0.00 0.00 39.78 39.51 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ufg s GLU 60 N -2.82 4.23 -0.39 -3.83 0.41 -1.26 -4.50 118.70 110.53 1ufg s GLU 60 Ca -0.09 0.32 -0.43 0.00 -0.41 0.00 0.00 54.97 54.36 1ufg s GLU 60 Cb 0.09 -3.39 -0.17 0.00 -1.78 0.00 0.00 34.13 28.87 1ufg s GLU 60 CO 0.83 0.29 1.78 -0.40 -0.49 0.00 0.00 175.26 177.27 1ufg n ASP 61 N 3.28 1.75 -4.88 -0.19 5.75 -1.26 -4.35 116.55 116.65 1ufg n ASP 61 Ca -0.10 1.02 -0.29 0.00 -0.01 0.00 0.00 54.79 55.40 1ufg n ASP 61 Cb 0.52 -1.03 -0.01 0.00 -1.03 0.00 0.00 41.12 39.58 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 3.88 3.64 -0.13 0.11 2.00 0.29 -4.85 119.66 124.59 1ufg s GLN 62 Ca 1.04 0.47 0.01 0.00 -2.00 0.00 0.00 55.36 54.88 1ufg s GLN 62 Cb -1.26 -2.27 0.02 0.00 0.80 0.00 0.00 33.01 30.29 1ufg s GLN 62 CO 0.70 -0.28 -0.15 0.45 -0.50 0.00 0.00 175.29 175.51 1ufg s SER 63 N -3.86 2.61 -0.66 6.67 0.15 -1.26 0.14 113.70 117.50 1ufg s SER 63 Ca 0.51 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ufg s SER 63 Cb -0.10 -1.16 0.40 0.00 -1.71 0.00 0.00 66.02 63.45 1ufg s SER 63 CO 0.44 -0.03 1.76 0.23 1.20 0.00 0.00 173.24 176.84 1ufg n MET 64 N 4.56 2.96 -2.57 5.44 0.00 0.18 -4.92 117.12 122.78 1ufg n MET 64 Ca -0.18 -3.72 -0.43 0.00 0.00 0.00 0.00 57.70 53.37 1ufg n MET 64 Cb 0.50 -2.27 -0.02 0.00 0.00 0.00 0.00 33.22 31.43 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 -2.03 1.38 0.00 3.03 0.00 -1.23 -2.64 107.32 105.84 1ufg s GLY 65 Ca 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1ufg s GLY 65 CO -0.22 2.42 0.00 -2.01 0.00 0.00 0.00 173.10 173.29 1ufg n ASN 66 N 7.54 -1.64 -4.64 1.64 2.85 -1.07 -4.26 115.26 115.69 1ufg n ASN 66 Ca 0.13 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.31 1ufg n ASN 66 Cb 0.48 -0.27 0.18 0.00 1.24 0.00 0.00 39.78 41.41 1ufg n ASN 66 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1ufg s TRP 67 N -2.76 1.93 0.21 1.20 0.52 -1.08 -4.18 118.94 114.77 1ufg s TRP 67 Ca 0.00 1.20 -0.09 0.00 0.02 0.00 0.00 56.10 57.23 1ufg s TRP 67 Cb 0.00 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.12 1ufg s TRP 67 CO 0.00 -2.99 0.33 -0.65 0.02 0.00 0.00 176.95 173.65 1ufg s GLN 68 N -4.79 1.34 -0.17 4.98 -0.21 0.17 0.57 119.66 121.55 1ufg s GLN 68 Ca 0.66 -1.32 -0.03 0.00 0.02 0.00 0.00 55.36 54.68 1ufg s GLN 68 Cb -0.20 0.39 0.05 0.00 1.00 0.00 0.00 33.01 34.25 1ufg s GLN 68 CO 0.59 -0.51 0.04 0.42 -2.12 0.00 0.00 175.29 173.71 1ufg s ILE 69 N -4.04 0.38 0.20 1.08 1.01 0.12 0.32 121.20 120.27 1ufg s ILE 69 Ca 0.25 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 1ufg s ILE 69 Cb 0.03 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.55 1ufg s ILE 69 CO 0.07 -0.15 0.82 -0.13 0.00 0.00 0.00 174.94 175.55 1ufg s ARG 70 N 1.93 4.59 -0.13 2.79 0.52 0.34 0.06 118.95 129.06 1ufg s ARG 70 Ca 0.01 1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 56.38 1ufg s ARG 70 Cb -0.16 -3.18 0.06 0.00 0.52 0.00 0.00 34.95 32.19 1ufg s ARG 70 CO -0.08 0.52 0.17 0.50 0.02 0.00 0.00 175.30 176.43 1ufg s ARG 71 N -1.33 0.08 -0.04 3.54 6.06 0.33 0.15 118.95 127.74 1ufg s ARG 71 Ca 0.39 0.39 0.03 0.00 -2.50 0.00 0.00 55.73 54.04 1ufg s ARG 71 Cb -0.23 -0.70 0.00 0.00 0.06 0.00 0.00 34.95 34.09 1ufg s ARG 71 CO 0.27 -0.44 -0.12 -1.14 -2.50 0.00 0.00 175.30 171.36 1ufg s GLN 72 N 2.28 1.35 -0.04 5.12 -0.44 0.22 -1.88 119.66 126.27 1ufg s GLN 72 Ca 0.04 -0.41 -0.03 0.00 -2.50 0.00 0.00 55.36 52.46 1ufg s GLN 72 Cb -0.13 -1.20 0.02 0.00 -1.64 0.00 0.00 33.01 30.06 1ufg s GLN 72 CO -0.08 0.13 0.10 0.54 0.50 0.00 0.00 175.29 176.48 1ufg s ASN 73 N 0.27 -0.08 0.00 6.67 2.20 -1.26 0.58 114.94 123.32 1ufg s ASN 73 Ca -0.06 0.21 0.00 0.00 -0.94 0.00 0.00 52.86 52.07 1ufg s ASN 73 Cb -0.11 0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 1ufg s ASN 73 CO 0.02 -0.09 0.00 0.61 -2.94 0.00 0.00 177.10 174.70 1ufg n GLY 74 N 3.61 0.81 2.91 0.45 0.00 -0.83 -2.34 105.19 109.80 1ufg n GLY 74 Ca -0.20 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.99 5.78 -4.44 1.61 9.92 -1.26 -4.95 116.55 120.22 1ufg n ASP 75 Ca 0.00 -3.26 -0.28 0.00 -0.53 0.00 0.00 54.79 50.72 1ufg n ASP 75 Cb 0.00 -1.38 -0.08 0.00 -0.64 0.00 0.00 41.12 39.02 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 -0.41 3.34 -0.30 -2.24 1.01 -0.99 -5.09 116.67 111.99 1ufg s ASP 76 Ca 0.36 -1.61 -0.29 0.00 0.71 0.00 0.00 52.55 51.72 1ufg s ASP 76 Cb 0.08 0.36 -0.00 0.00 1.01 0.00 0.00 42.92 44.37 1ufg s ASP 76 CO 0.05 -0.82 1.35 -2.16 0.21 0.00 0.00 175.17 173.80 1ufg s PRO 77 N -3.79 3.86 0.12 8.23 0.04 -1.26 -4.84 135.00 137.36 1ufg s PRO 77 Ca 0.19 1.27 -0.33 0.00 0.04 0.00 0.00 61.00 62.17 1ufg s PRO 77 Cb 0.04 -3.91 -0.12 0.00 0.04 0.00 0.00 34.50 30.54 1ufg s PRO 77 CO 0.11 -1.19 1.73 -0.11 0.04 0.00 0.00 177.00 177.58 1ufg n LEU 78 N 7.85 3.60 -4.59 -3.56 0.00 -1.26 -4.93 117.00 114.11 1ufg n LEU 78 Ca 0.15 1.03 -0.26 0.00 0.00 0.00 0.00 56.01 56.94 1ufg n LEU 78 Cb 0.47 -1.48 -0.09 0.00 0.00 0.00 0.00 43.42 42.32 1ufg n LEU 78 CO 0.64 -0.03 -0.39 0.00 0.00 0.00 0.00 177.39 177.61 1ufg s MET 79 N 2.04 2.11 -0.28 1.96 0.23 -0.79 -5.00 119.30 119.57 1ufg s MET 79 Ca 0.81 -1.30 -0.02 0.00 -1.03 0.00 0.00 55.69 54.15 1ufg s MET 79 Cb -0.59 -2.16 0.12 0.00 -1.53 0.00 0.00 34.83 30.67 1ufg s MET 79 CO 0.39 0.42 0.23 0.99 -2.03 0.00 0.00 175.02 175.02 1ufg s THR 80 N -1.85 -0.28 -0.49 3.16 2.01 -1.26 -0.51 115.64 116.41 1ufg s THR 80 Ca 0.26 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 1ufg s THR 80 Cb -0.08 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1ufg s THR 80 CO 0.16 -0.52 1.50 -0.47 -0.69 0.00 0.00 174.62 174.60 1ufg s TYR 81 N 2.27 2.21 0.37 4.92 6.14 0.11 -4.73 117.35 128.65 1ufg s TYR 81 Ca 0.09 0.58 -0.22 0.00 0.64 0.00 0.00 57.07 58.16 1ufg s TYR 81 Cb -0.15 -4.31 -0.10 0.00 0.42 0.00 0.00 41.96 37.82 1ufg s TYR 81 CO -0.32 -2.11 0.91 0.50 0.64 0.00 0.00 175.55 175.17 1ufg s ARG 82 N 5.48 4.33 0.42 4.97 3.52 -1.26 0.16 118.95 136.56 1ufg s ARG 82 Ca 0.60 1.13 0.08 0.00 -0.13 0.00 0.00 55.73 57.41 1ufg s ARG 82 Cb -0.13 -2.46 -0.00 0.00 -1.56 0.00 0.00 34.95 30.80 1ufg s ARG 82 CO 0.28 0.12 0.51 -0.06 -0.81 0.00 0.00 175.30 175.34 1ufg s PHE 83 N -1.93 2.77 0.55 5.12 0.08 0.19 -4.94 117.98 119.83 1ufg s PHE 83 Ca 0.56 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 57.01 1ufg s PHE 83 Cb -0.13 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1ufg s PHE 83 CO 0.18 -0.32 1.04 -1.25 -0.10 0.00 0.00 175.22 174.77 1ufg s PRO 84 N -4.28 3.52 0.00 0.24 0.04 -1.26 -4.13 135.00 129.13 1ufg s PRO 84 Ca 0.53 1.22 0.09 0.00 0.04 0.00 0.00 61.00 62.88 1ufg s PRO 84 Cb -0.08 -2.06 0.56 0.00 0.04 0.00 0.00 34.50 32.96 1ufg s PRO 84 CO 0.31 -0.65 1.16 -0.35 0.04 0.00 0.00 177.00 177.51 1ufg n PRO 85 N -1.68 0.75 -3.19 0.56 -0.04 -1.26 -2.59 135.00 127.55 1ufg n PRO 85 Ca 0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 1ufg n PRO 85 Cb 0.53 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.70 0.80 -4.04 0.54 4.76 -1.26 -4.71 118.16 113.56 1ufg n LYS 86 Ca 0.07 -3.27 -0.26 0.00 -2.87 0.00 0.00 58.31 51.99 1ufg n LYS 86 Cb 0.03 -1.39 -0.17 0.00 -1.84 0.00 0.00 35.03 31.66 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 -1.62 1.35 -0.18 2.13 5.36 -1.23 -5.03 117.98 118.76 1ufg s PHE 87 Ca 0.37 -0.61 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1ufg s PHE 87 Cb 0.24 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.81 1ufg s PHE 87 CO -0.10 -0.43 -0.18 0.99 -1.46 0.00 0.00 175.22 174.04 1ufg s THR 88 N 1.48 2.24 -0.82 0.12 2.01 -1.26 0.48 115.64 119.89 1ufg s THR 88 Ca 0.00 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 1ufg s THR 88 Cb -0.13 -1.95 0.21 0.00 0.01 0.00 0.00 72.50 70.64 1ufg s THR 88 CO -0.05 0.52 0.76 -0.22 -0.69 0.00 0.00 174.62 174.95 1ufg s LEU 89 N 1.29 6.70 0.96 4.42 2.96 0.38 -4.94 118.68 130.45 1ufg s LEU 89 Ca 0.04 -2.64 -0.17 0.00 -0.22 0.00 0.00 54.13 51.15 1ufg s LEU 89 Cb -0.13 -2.21 -0.14 0.00 0.50 0.00 0.00 46.19 44.20 1ufg s LEU 89 CO -0.11 -0.60 -0.71 0.29 -1.32 0.00 0.00 176.35 173.90 1ufg n LYS 90 N 4.09 -0.01 -2.53 1.98 5.02 -1.26 -0.55 118.16 124.91 1ufg n LYS 90 Ca 0.13 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1ufg n LYS 90 Cb 0.47 -1.03 -0.04 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.01 3.34 0.00 7.82 0.00 -1.26 -2.57 121.76 127.07 1ufg s ALA 91 Ca 0.42 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1ufg s ALA 91 Cb -0.21 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1ufg s ALA 91 CO 0.81 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1ufg n GLY 92 N 2.50 0.67 3.59 0.00 0.00 -1.16 -4.94 105.19 105.85 1ufg n GLY 92 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1ufg n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ufg n GLN 93 N -2.13 -0.72 -3.72 1.61 3.00 -1.06 -4.76 117.38 109.60 1ufg n GLN 93 Ca 0.00 -2.17 -0.14 0.00 -0.01 0.00 0.00 57.00 54.68 1ufg n GLN 93 Cb 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 30.24 29.19 1ufg n GLN 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ufg s VAL 94 N -3.34 0.02 -0.01 5.09 1.01 -1.26 -0.92 120.40 121.00 1ufg s VAL 94 Ca 0.66 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1ufg s VAL 94 Cb -0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1ufg s VAL 94 CO 0.45 -0.09 -0.13 0.54 0.00 0.00 0.00 175.10 175.87 1ufg s VAL 95 N -0.46 1.01 -0.12 2.92 0.11 0.20 -4.72 120.40 119.34 1ufg s VAL 95 Ca -0.06 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1ufg s VAL 95 Cb -0.03 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1ufg s VAL 95 CO 0.03 0.27 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.08 1ufg s THR 96 N -0.33 3.42 -0.73 5.04 2.01 0.03 -0.11 115.64 124.97 1ufg s THR 96 Ca 0.05 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1ufg s THR 96 Cb -0.05 -2.44 0.18 0.00 0.01 0.00 0.00 72.50 70.20 1ufg s THR 96 CO -0.00 0.54 0.54 -0.63 -0.69 0.00 0.00 174.62 174.38 1ufg s ILE 97 N 0.01 3.28 0.82 1.82 1.09 0.11 0.20 121.20 128.53 1ufg s ILE 97 Ca -0.02 -4.03 -0.11 0.00 -1.10 0.00 0.00 60.65 55.38 1ufg s ILE 97 Cb -0.14 -3.12 0.08 0.00 -1.06 0.00 0.00 42.46 38.22 1ufg s ILE 97 CO 0.04 -1.00 1.09 0.26 -0.10 0.00 0.00 174.94 175.22 1ufg s TRP 98 N -1.27 2.58 0.01 3.97 0.52 0.19 -0.97 118.94 123.97 1ufg s TRP 98 Ca 0.24 1.33 -0.00 0.00 0.02 0.00 0.00 56.10 57.69 1ufg s TRP 98 Cb -0.08 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 1ufg s TRP 98 CO -0.13 -1.99 0.08 0.00 0.02 0.00 0.00 176.95 174.93 1ufg s ALA 99 N -2.99 3.60 0.38 0.98 0.00 0.15 0.86 121.76 124.75 1ufg s ALA 99 Ca 0.62 -0.89 0.27 0.00 0.00 0.00 0.00 51.96 51.96 1ufg s ALA 99 Cb -0.17 -1.57 1.32 0.00 0.00 0.00 0.00 23.12 22.70 1ufg s ALA 99 CO 0.56 0.70 1.42 0.45 0.00 0.00 0.00 175.76 178.89 1ufg n SER 100 N 1.07 0.22 -3.77 0.00 2.88 0.61 -0.76 113.62 113.87 1ufg n SER 100 Ca -0.12 1.32 -0.35 0.00 -1.33 0.00 0.00 58.87 58.39 1ufg n SER 100 Cb 0.52 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 63.30 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 -1.41 4.86 0.72 0.46 0.00 -0.66 -4.55 105.19 104.60 1ufg n GLY 101 Ca 0.36 -2.71 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 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 1.26 2.36 -4.40 4.61 0.00 0.06 -4.77 120.51 119.63 1ufg n ALA 102 Ca 0.27 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.60 1ufg n ALA 102 Cb 0.37 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 0.06 -0.39 0.50 0.00 0.00 -1.26 -4.88 105.19 99.22 1ufg n GLY 103 Ca -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.22 0.15 -3.67 4.61 0.00 -1.26 -5.13 120.51 110.99 1ufg n ALA 104 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 1ufg n ALA 104 Cb 0.49 0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 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 0.48 -0.38 -0.72 0.00 2.01 -1.26 -5.08 115.64 110.68 1ufg s THR 105 Ca 0.08 0.28 -0.25 0.00 0.31 0.00 0.00 61.69 62.11 1ufg s THR 105 Cb -0.01 -0.43 -0.14 0.00 0.01 0.00 0.00 72.50 71.93 1ufg s THR 105 CO 0.05 0.12 2.41 1.57 -0.69 0.00 0.00 174.62 178.08 1ufg n HIS 106 N 5.28 1.11 -3.29 4.92 -0.00 -1.26 -4.48 115.22 117.50 1ufg n HIS 106 Ca -0.07 0.06 -0.25 0.00 0.46 0.00 0.00 57.72 57.91 1ufg n HIS 106 Cb 0.50 -2.42 -0.07 0.00 -0.12 0.00 0.00 29.99 27.88 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 16.06 2.30 -4.79 0.26 7.64 -0.76 -4.96 113.62 129.36 1ufg n SER 107 Ca 0.47 -3.15 -0.29 0.00 1.01 0.00 0.00 58.87 56.91 1ufg n SER 107 Cb 0.42 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.04 1.22 0.16 1.43 0.04 0.13 0.62 135.00 136.56 1ufg s PRO 108 Ca 0.39 0.31 0.24 0.00 0.04 0.00 0.00 61.00 61.98 1ufg s PRO 108 Cb 0.17 -1.85 0.91 0.00 0.04 0.00 0.00 34.50 33.78 1ufg s PRO 108 CO -0.06 -2.15 1.73 -0.35 0.04 0.00 0.00 177.00 176.22 1ufg n PRO 109 N -3.74 0.16 0.00 0.56 -0.04 -1.26 -4.77 135.00 125.91 1ufg n PRO 109 Ca 0.07 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1ufg n PRO 109 Cb 0.59 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.02 0.00 -2.27 0.52 -2.24 -1.18 -4.66 114.28 102.43 1ufg n THR 110 Ca 0.04 0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.82 1ufg n THR 110 Cb 0.31 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.18 1ufg n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ufg s ASP 111 N -2.09 6.54 0.13 3.42 -1.08 0.20 -0.79 116.67 123.01 1ufg s ASP 111 Ca 0.00 2.39 -0.00 0.00 -0.52 0.00 0.00 52.55 54.41 1ufg s ASP 111 Cb 0.00 -2.62 -0.04 0.00 -1.46 0.00 0.00 42.92 38.80 1ufg s ASP 111 CO 0.00 -0.67 0.04 -0.76 0.52 0.00 0.00 175.17 174.30 1ufg s LEU 112 N -2.42 1.88 -0.07 -1.34 1.43 0.54 0.17 118.68 118.88 1ufg s LEU 112 Ca 0.56 -1.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1ufg s LEU 112 Cb -0.32 0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.15 1ufg s LEU 112 CO 0.40 -0.69 -0.07 -0.69 0.23 0.00 0.00 176.35 175.54 1ufg s VAL 113 N -3.97 0.77 -0.66 -1.59 1.01 -1.25 0.54 120.40 115.25 1ufg s VAL 113 Ca 0.23 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1ufg s VAL 113 Cb 0.07 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.74 1ufg s VAL 113 CO 0.01 0.29 0.98 0.86 0.00 0.00 0.00 175.10 177.24 1ufg s TRP 114 N 1.15 2.66 0.06 5.22 -0.00 0.25 -4.83 118.94 123.44 1ufg s TRP 114 Ca -0.07 -0.52 -0.10 0.00 -0.00 0.00 0.00 56.10 55.41 1ufg s TRP 114 Cb -0.14 -4.30 -0.30 0.00 -0.00 0.00 0.00 33.47 28.73 1ufg s TRP 114 CO -0.01 -1.66 1.09 0.87 -0.00 0.00 0.00 176.95 177.24 1ufg h LYS 115 N 9.58 0.44 -0.89 5.86 1.79 -1.95 0.17 116.57 131.58 1ufg h LYS 115 Ca -0.29 -0.70 0.16 0.00 -2.18 0.00 0.00 60.65 57.64 1ufg h LYS 115 Cb 1.07 0.25 -0.10 0.00 -1.58 0.00 0.00 32.23 31.87 1ufg h LYS 115 CO 1.18 1.32 0.48 0.00 -1.08 0.00 0.00 179.45 181.36 1ufg h ALA 116 N 0.39 1.37 -1.48 3.86 0.00 -2.00 -3.42 119.26 117.98 1ufg h ALA 116 Ca -0.19 0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 1ufg h ALA 116 Cb 2.01 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.69 1ufg h ALA 116 CO 0.24 -0.07 -0.47 -0.65 0.00 0.00 0.00 179.25 178.30 1ufg s GLN 117 N -5.95 2.27 -0.02 0.00 -1.52 -1.23 -5.04 119.66 108.17 1ufg s GLN 117 Ca -0.12 -1.83 0.07 0.00 -1.95 0.00 0.00 55.36 51.53 1ufg s GLN 117 Cb 0.22 -2.03 -0.11 0.00 -0.22 0.00 0.00 33.01 30.88 1ufg s GLN 117 CO 0.79 -0.17 0.14 0.27 -0.25 0.00 0.00 175.29 176.07 1ufg n ASN 118 N -1.31 3.35 -3.63 5.90 0.23 -1.26 -3.41 115.26 115.13 1ufg n ASN 118 Ca -0.01 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.89 1ufg n ASN 118 Cb 0.64 1.24 -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 -2.45 0.01 0.09 5.53 -1.32 -1.26 -1.65 115.64 114.59 1ufg s THR 119 Ca -0.03 -0.06 -0.19 0.00 -1.21 0.00 0.00 61.69 60.20 1ufg s THR 119 Cb 0.04 -0.88 -0.08 0.00 -1.51 0.00 0.00 72.50 70.08 1ufg s THR 119 CO 0.30 -0.03 1.59 -0.50 -2.21 0.00 0.00 174.62 173.77 1ufg h TRP 120 N 4.24 0.40 0.00 9.09 4.06 -1.84 -3.49 115.95 128.41 1ufg h TRP 120 Ca -0.28 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.63 1ufg h TRP 120 Cb 1.16 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1ufg h TRP 120 CO 0.41 0.46 0.00 0.41 -3.56 0.00 0.00 178.44 176.16 1ufg n GLY 121 N -0.57 4.44 0.00 1.49 0.00 -1.26 -4.91 105.19 104.38 1ufg n GLY 121 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 5.00 2.75 0.30 0.00 0.00 -1.26 -4.70 105.19 107.28 1ufg n GLY 123 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.64 -3.40 1.61 4.64 -1.94 -3.41 113.55 110.42 1ufg h SER 124 Ca 0.00 0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.76 1ufg h SER 124 Cb 0.00 0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 62.17 1ufg h SER 124 CO 0.00 -0.42 -0.21 -0.94 -0.87 0.00 0.00 176.83 174.40 1ufg s SER 125 N -4.62 6.50 0.08 4.97 1.04 -1.26 0.19 113.70 120.60 1ufg s SER 125 Ca -0.16 0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1ufg s SER 125 Cb 0.05 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1ufg s SER 125 CO 0.63 -0.02 -0.06 -0.76 0.98 0.00 0.00 173.24 174.01 1ufg s LEU 126 N 0.97 2.46 -0.29 2.42 1.43 0.39 -1.96 118.68 124.10 1ufg s LEU 126 Ca 0.20 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1ufg s LEU 126 Cb -0.14 -0.05 0.11 0.00 0.03 0.00 0.00 46.19 46.14 1ufg s LEU 126 CO 0.08 -0.44 0.67 -0.60 0.23 0.00 0.00 176.35 176.29 1ufg s ARG 127 N -3.45 0.61 0.30 1.70 3.52 0.20 -1.47 118.95 120.35 1ufg s ARG 127 Ca 0.07 1.36 0.10 0.00 -0.13 0.00 0.00 55.73 57.14 1ufg s ARG 127 Cb 0.03 0.62 -0.06 0.00 -1.56 0.00 0.00 34.95 33.99 1ufg s ARG 127 CO -0.04 -0.18 -0.14 0.99 -0.81 0.00 0.00 175.30 175.11 1ufg s THR 128 N 2.47 2.25 0.08 4.11 2.01 0.17 0.70 115.64 127.43 1ufg s THR 128 Ca -0.07 -2.29 -0.24 0.00 0.31 0.00 0.00 61.69 59.39 1ufg s THR 128 Cb -0.10 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 70.05 1ufg s THR 128 CO -0.19 -0.33 0.58 0.00 -0.69 0.00 0.00 174.62 173.99 1ufg s ALA 129 N -2.63 -1.52 -0.09 7.40 0.00 0.12 -1.12 121.76 123.92 1ufg s ALA 129 Ca 0.30 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1ufg s ALA 129 Cb -0.01 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 1ufg s ALA 129 CO 0.15 -0.60 -0.23 -1.17 0.00 0.00 0.00 175.76 173.90 1ufg s LEU 130 N -2.19 2.14 0.07 0.00 2.96 0.02 0.13 118.68 121.80 1ufg s LEU 130 Ca -0.03 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1ufg s LEU 130 Cb -0.00 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1ufg s LEU 130 CO -0.05 0.18 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.38 1ufg s ILE 131 N 0.21 2.96 0.06 6.68 -1.09 0.15 -0.56 121.20 129.61 1ufg s ILE 131 Ca -0.14 -1.25 0.01 0.00 -2.23 0.00 0.00 60.65 57.03 1ufg s ILE 131 Cb -0.17 -2.30 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 1ufg s ILE 131 CO 0.07 0.25 0.08 -0.46 -1.23 0.00 0.00 174.94 173.65 1ufg n ASN 132 N 1.23 0.19 -0.33 3.58 0.23 -0.59 0.43 115.26 120.00 1ufg n ASN 132 Ca -0.16 -1.15 -0.07 0.00 -0.53 0.00 0.00 54.58 52.68 1ufg n ASN 132 Cb 0.52 -0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 38.12 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 -2.95 -0.78 -4.88 0.53 3.41 -1.26 -4.35 113.62 103.34 1ufg n SER 133 Ca 0.02 1.43 -0.30 0.00 -0.26 0.00 0.00 58.87 59.75 1ufg n SER 133 Cb 0.06 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 4.47 -0.66 6.66 -1.32 -1.26 -4.76 115.64 113.29 1ufg s THR 134 Ca -0.10 0.64 -0.11 0.00 -1.21 0.00 0.00 61.69 60.90 1ufg s THR 134 Cb 0.10 -3.78 -0.10 0.00 -1.51 0.00 0.00 72.50 67.22 1ufg s THR 134 CO 0.52 -0.97 1.84 0.61 -2.21 0.00 0.00 174.62 174.41 1ufg n GLY 135 N -2.70 2.54 2.85 6.08 0.00 -1.26 -4.76 105.19 107.95 1ufg n GLY 135 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 4.38 0.05 0.18 1.61 2.12 -1.26 -5.03 118.70 120.75 1ufg s GLU 136 Ca 0.40 0.03 -0.24 0.00 0.36 0.00 0.00 54.97 55.52 1ufg s GLU 136 Cb 0.10 -0.12 -0.08 0.00 0.26 0.00 0.00 34.13 34.29 1ufg s GLU 136 CO 0.04 -0.03 0.77 -2.00 -0.54 0.00 0.00 175.26 173.50 1ufg s GLU 137 N 0.29 4.50 -0.15 4.30 2.12 -1.26 -1.54 118.70 126.95 1ufg s GLU 137 Ca -0.02 1.10 0.02 0.00 0.36 0.00 0.00 54.97 56.43 1ufg s GLU 137 Cb -0.04 -3.16 -0.11 0.00 0.26 0.00 0.00 34.13 31.08 1ufg s GLU 137 CO -0.01 0.53 -0.12 1.33 -0.54 0.00 0.00 175.26 176.45 1ufg n VAL 138 N 1.38 0.90 -4.04 3.70 0.24 0.28 -4.94 118.33 115.85 1ufg n VAL 138 Ca -0.05 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 1ufg n VAL 138 Cb 0.49 -1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 31.76 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 -2.31 0.36 0.03 2.33 0.00 -1.24 0.19 121.76 121.12 1ufg s ALA 139 Ca -0.20 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1ufg s ALA 139 Cb 0.05 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1ufg s ALA 139 CO 0.38 -0.45 0.02 0.00 0.00 0.00 0.00 175.76 175.71 1ufg s MET 140 N -3.93 0.49 -0.31 0.00 0.23 0.27 -0.80 119.30 115.25 1ufg s MET 140 Ca 0.11 -0.81 -0.01 0.00 -1.03 0.00 0.00 55.69 53.95 1ufg s MET 140 Cb 0.07 0.18 0.13 0.00 -1.53 0.00 0.00 34.83 33.68 1ufg s MET 140 CO -0.07 -0.10 0.26 0.50 -2.03 0.00 0.00 175.02 173.58 1ufg s ARG 141 N -2.49 0.37 0.22 3.16 3.52 -0.28 0.10 118.95 123.56 1ufg s ARG 141 Ca -0.06 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.01 1ufg s ARG 141 Cb -0.02 -0.84 -0.06 0.00 -1.56 0.00 0.00 34.95 32.47 1ufg s ARG 141 CO -0.04 -1.07 0.49 0.21 -0.81 0.00 0.00 175.30 174.08 1ufg s LYS 142 N 2.03 3.68 -0.30 5.12 2.36 -0.34 -0.65 119.74 131.64 1ufg s LYS 142 Ca 0.11 0.06 -0.07 0.00 -2.55 0.00 0.00 55.97 53.52 1ufg s LYS 142 Cb -0.15 -2.71 0.15 0.00 -1.05 0.00 0.00 37.83 34.06 1ufg s LYS 142 CO -0.26 0.33 0.64 -0.51 1.55 0.00 0.00 175.35 177.11 1ufg s LEU 143 N -3.03 -1.21 0.10 5.43 1.02 -0.54 -0.29 118.68 120.16 1ufg s LEU 143 Ca 0.44 1.33 0.06 0.00 0.02 0.00 0.00 54.13 55.98 1ufg s LEU 143 Cb -0.11 2.25 -0.03 0.00 0.02 0.00 0.00 46.19 48.31 1ufg s LEU 143 CO 0.25 -0.23 -0.16 0.54 0.02 0.00 0.00 176.35 176.77 1ufg s VAL 144 N 2.88 1.37 0.11 -1.59 0.11 -1.26 0.15 120.40 122.18 1ufg s VAL 144 Ca 0.03 -1.51 0.01 0.00 -2.93 0.00 0.00 61.98 57.59 1ufg s VAL 144 Cb -0.13 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1ufg s VAL 144 CO -0.20 -0.23 0.25 -0.60 -3.33 0.00 0.00 175.10 170.99 1ufg s ARG 145 N -2.08 3.43 -0.25 1.54 3.52 0.50 0.22 118.95 125.83 1ufg s ARG 145 Ca 0.04 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 1ufg s ARG 145 Cb -0.08 -2.99 0.06 0.00 -1.56 0.00 0.00 34.95 30.38 1ufg s ARG 145 CO 0.03 0.56 -0.08 0.45 -0.81 0.00 0.00 175.30 175.45 1ufg s SER 146 N -2.92 4.14 0.14 -2.12 0.15 -1.26 -4.75 113.70 107.08 1ufg s SER 146 Ca 0.35 -1.28 -0.09 0.00 0.70 0.00 0.00 55.95 55.62 1ufg s SER 146 Cb -0.12 -1.36 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 1ufg s SER 146 CO 0.28 -0.21 0.26 -0.83 1.20 0.00 0.00 173.24 173.94 1ufg s GLY 147 N 1.25 0.36 0.77 9.45 0.00 -1.26 -5.02 107.32 112.86 1ufg s GLY 147 Ca -0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 1ufg s GLY 147 CO -0.06 -0.82 1.09 2.56 0.00 0.00 0.00 173.10 175.87 1ufg s PRO 148 N -3.93 2.35 -0.14 2.90 0.04 -1.26 -5.06 135.00 129.90 1ufg s PRO 148 Ca 0.14 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1ufg s PRO 148 Cb 0.04 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1ufg s PRO 148 CO -0.03 -1.46 -0.14 0.45 0.04 0.00 0.00 177.00 175.86 1ufg s SER 149 N -3.87 3.86 -0.15 6.66 0.15 -1.26 -5.01 113.70 114.08 1ufg s SER 149 Ca 0.60 -0.39 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 1ufg s SER 149 Cb -0.14 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 1ufg s SER 149 CO 0.54 0.13 -0.31 -1.54 1.20 0.00 0.00 173.24 173.27 1ufg n SER 150 N 3.76 1.84 0.00 5.45 3.41 -1.26 -5.37 113.62 121.44 1ufg n SER 150 Ca -0.18 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ufg n SER 150 Cb 0.52 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1ufg n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49