#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 -0.12 0.15 1.61 0.15 -1.26 -5.19 113.70 109.04 1ufg s SER 2 Ca 0.00 0.01 -0.25 0.00 0.70 0.00 0.00 55.95 56.40 1ufg s SER 2 Cb 0.00 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1ufg s SER 2 CO 0.00 -0.20 0.94 -0.44 1.20 0.00 0.00 173.24 174.75 1ufg s SER 3 N -2.11 -0.20 0.09 5.45 0.01 -1.26 -5.19 113.70 110.49 1ufg s SER 3 Ca 0.10 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 1ufg s SER 3 Cb -0.01 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1ufg s SER 3 CO -0.04 -0.90 0.13 0.61 0.41 0.00 0.00 173.24 173.46 1ufg n GLY 4 N -0.45 2.67 3.61 3.44 0.00 -1.26 -5.19 105.19 108.01 1ufg n GLY 4 Ca -0.06 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.53 -0.02 0.00 1.61 0.01 -1.26 -5.19 113.70 107.32 1ufg s SER 5 Ca 0.07 -0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1ufg s SER 5 Cb -0.00 0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.41 1ufg s SER 5 CO 0.05 -0.14 1.21 -0.94 0.41 0.00 0.00 173.24 173.83 1ufg s SER 6 N -3.05 -0.09 0.26 2.44 1.04 -1.26 -5.19 113.70 107.84 1ufg s SER 6 Ca 0.16 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.20 1ufg s SER 6 Cb 0.06 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.44 1ufg s SER 6 CO -0.05 -0.42 0.79 -0.83 0.98 0.00 0.00 173.24 173.71 1ufg s GLY 7 N -2.90 -0.06 -0.05 7.32 0.00 -1.26 -5.19 107.32 105.18 1ufg s GLY 7 Ca 0.13 -0.27 -0.31 0.00 0.00 0.00 0.00 44.72 44.27 1ufg s GLY 7 CO -0.03 -0.03 1.34 -0.86 0.00 0.00 0.00 173.10 173.52 1ufg s GLN 8 N -3.56 0.27 0.25 2.90 -2.07 -1.26 -5.19 119.66 110.99 1ufg s GLN 8 Ca 0.12 -0.15 -0.22 0.00 -1.82 0.00 0.00 55.36 53.29 1ufg s GLN 8 Cb -0.05 0.09 0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1ufg s GLN 8 CO 0.06 -0.12 0.77 -1.54 -1.32 0.00 0.00 175.29 173.14 1ufg s SER 9 N -2.97 -0.26 -0.13 12.60 1.04 -1.26 -5.19 113.70 117.53 1ufg s SER 9 Ca 0.14 -0.54 -0.32 0.00 0.48 0.00 0.00 55.95 55.71 1ufg s SER 9 Cb 0.06 0.67 0.13 0.00 0.10 0.00 0.00 66.02 66.98 1ufg s SER 9 CO -0.05 -1.24 1.09 0.00 0.98 0.00 0.00 173.24 174.02 1ufg s GLN 10 N -3.78 0.49 0.33 4.02 0.00 -1.26 -5.19 119.66 114.28 1ufg s GLN 10 Ca 0.11 -0.13 -0.17 0.00 -0.00 0.00 0.00 55.36 55.17 1ufg s GLN 10 Cb -0.05 0.23 0.06 0.00 0.00 0.00 0.00 33.01 33.25 1ufg s GLN 10 CO 0.05 -0.20 0.85 0.20 0.00 0.00 0.00 175.29 176.19 1ufg s GLY 11 N -2.04 0.29 0.18 2.60 0.00 -1.26 -5.19 107.32 101.91 1ufg s GLY 11 Ca 0.06 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1ufg s GLY 11 CO -0.05 0.37 0.03 0.61 0.00 0.00 0.00 173.10 174.06 1ufg n GLY 12 N -0.57 3.84 0.00 0.20 0.00 -1.26 -5.16 105.19 102.23 1ufg n GLY 12 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1ufg n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 13 N 1.70 1.72 3.55 -0.02 0.00 -1.26 -5.17 105.19 105.72 1ufg n GLY 13 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ufg n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufg s SER 14 N 2.00 -0.38 -0.05 1.61 0.15 -1.26 -5.16 113.70 110.61 1ufg s SER 14 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1ufg s SER 14 Cb 0.00 1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 65.53 1ufg s SER 14 CO 0.00 -0.09 -0.03 0.68 1.20 0.00 0.00 173.24 175.00 1ufg s VAL 15 N 1.57 4.02 -0.18 4.45 -7.23 -1.26 -5.10 120.40 116.66 1ufg s VAL 15 Ca -0.07 -0.46 -0.34 0.00 -1.81 0.00 0.00 61.98 59.31 1ufg s VAL 15 Cb -0.04 -2.71 0.14 0.00 0.56 0.00 0.00 36.38 34.34 1ufg s VAL 15 CO -0.14 0.52 1.18 0.28 -0.31 0.00 0.00 175.10 176.63 1ufg s THR 16 N -0.92 0.00 -0.14 5.32 -1.32 -1.26 -5.15 115.64 112.17 1ufg s THR 16 Ca 0.15 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1ufg s THR 16 Cb -0.11 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1ufg s THR 16 CO 0.05 0.00 0.05 -0.75 -2.21 0.00 0.00 174.62 171.75 1ufg s LYS 17 N -2.19 0.39 -0.15 7.08 2.20 -1.26 -5.12 119.74 120.70 1ufg s LYS 17 Ca 0.08 -0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.50 1ufg s LYS 17 Cb -0.01 -1.59 0.06 0.00 -1.51 0.00 0.00 37.83 34.78 1ufg s LYS 17 CO -0.05 -0.54 0.35 0.15 -0.36 0.00 0.00 175.35 174.90 1ufg s LYS 18 N 2.00 0.31 -0.49 4.03 1.02 -1.26 -5.12 119.74 120.23 1ufg s LYS 18 Ca 0.02 0.73 -0.19 0.00 0.02 0.00 0.00 55.97 56.54 1ufg s LYS 18 Cb -0.15 -0.02 0.05 0.00 -0.52 0.00 0.00 37.83 37.19 1ufg s LYS 18 CO -0.07 -0.18 0.62 1.03 -0.92 0.00 0.00 175.35 175.83 1ufg s ARG 19 N 1.55 3.14 -0.29 1.68 0.52 -1.26 -4.97 118.95 119.32 1ufg s ARG 19 Ca -0.08 -0.81 -0.20 0.00 -0.52 0.00 0.00 55.73 54.13 1ufg s ARG 19 Cb -0.10 -4.07 0.18 0.00 0.52 0.00 0.00 34.95 31.48 1ufg s ARG 19 CO -0.11 -1.18 1.22 0.21 0.02 0.00 0.00 175.30 175.46 1ufg s LYS 20 N 2.66 0.18 -0.11 3.54 2.47 -1.26 -5.09 119.74 122.13 1ufg s LYS 20 Ca 0.16 0.27 -0.10 0.00 -1.56 0.00 0.00 55.97 54.74 1ufg s LYS 20 Cb -0.18 0.06 -0.03 0.00 -1.46 0.00 0.00 37.83 36.21 1ufg s LYS 20 CO 0.13 -0.03 -0.20 1.28 0.16 0.00 0.00 175.35 176.69 1ufg n LEU 21 N 2.66 1.25 -3.32 5.43 4.77 -1.26 -5.04 117.00 121.50 1ufg n LEU 21 Ca -0.15 0.29 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1ufg n LEU 21 Cb 0.57 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1ufg n LEU 21 CO 0.03 -0.38 0.51 -1.83 -1.33 0.00 0.00 177.39 174.39 1ufg s GLU 22 N -2.14 0.33 -0.32 3.23 -1.05 -1.26 -5.10 118.70 112.39 1ufg s GLU 22 Ca -0.17 0.72 -0.09 0.00 -0.15 0.00 0.00 54.97 55.28 1ufg s GLU 22 Cb 0.02 0.43 0.21 0.00 -0.44 0.00 0.00 34.13 34.35 1ufg s GLU 22 CO 0.25 -0.21 1.14 0.45 0.95 0.00 0.00 175.26 177.83 1ufg s SER 23 N 2.68 -0.13 -0.16 0.83 0.15 -1.26 -5.05 113.70 110.76 1ufg s SER 23 Ca 0.01 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.39 1ufg s SER 23 Cb -0.09 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1ufg s SER 23 CO -0.16 -0.01 0.24 -0.24 1.20 0.00 0.00 173.24 174.27 1ufg n SER 24 N 2.79 -6.08 -3.94 5.45 2.88 -1.26 -4.93 113.62 108.54 1ufg n SER 24 Ca 0.09 0.19 -0.30 0.00 -1.33 0.00 0.00 58.87 57.52 1ufg n SER 24 Cb 0.66 -1.55 -0.14 0.00 -0.75 0.00 0.00 64.21 62.42 1ufg n SER 24 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ufg s GLU 25 N -1.50 1.75 0.01 -1.46 2.12 -1.26 -5.07 118.70 113.28 1ufg s GLU 25 Ca 0.14 -2.33 0.01 0.00 0.36 0.00 0.00 54.97 53.15 1ufg s GLU 25 Cb -0.01 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 1ufg s GLU 25 CO 0.31 -1.07 -0.03 0.45 -0.54 0.00 0.00 175.26 174.39 1ufg s SER 26 N 0.13 0.31 -0.19 -1.70 0.15 -1.26 -5.13 113.70 106.01 1ufg s SER 26 Ca 0.15 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.61 1ufg s SER 26 Cb -0.24 -0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.15 1ufg s SER 26 CO -0.03 -0.04 0.17 -0.13 1.20 0.00 0.00 173.24 174.42 1ufg s ARG 27 N -0.38 0.14 0.42 5.44 0.52 -1.26 -4.96 118.95 118.88 1ufg s ARG 27 Ca -0.02 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1ufg s ARG 27 Cb -0.03 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 33.99 1ufg s ARG 27 CO -0.00 -0.67 0.00 0.45 0.02 0.00 0.00 175.30 175.09 1ufg n SER 28 N 5.30 -3.81 -3.38 0.23 2.88 -1.26 -5.12 113.62 108.47 1ufg n SER 28 Ca -0.06 0.82 0.02 0.00 -1.33 0.00 0.00 58.87 58.32 1ufg n SER 28 Cb 0.49 3.59 -0.03 0.00 -0.75 0.00 0.00 64.21 67.51 1ufg n SER 28 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ufg s SER 29 N -1.85 -1.10 0.55 -3.46 1.04 -1.26 -5.13 113.70 102.48 1ufg s SER 29 Ca 0.00 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1ufg s SER 29 Cb 0.00 2.08 0.00 0.00 0.10 0.00 0.00 66.02 68.20 1ufg s SER 29 CO 0.00 -0.21 0.00 0.49 0.98 0.00 0.00 173.24 174.50 1ufg n PHE 30 N 5.38 -4.20 -0.91 5.02 3.01 -1.26 -4.22 117.46 120.29 1ufg n PHE 30 Ca -0.07 2.26 -0.41 0.00 1.01 0.00 0.00 57.45 60.24 1ufg n PHE 30 Cb 0.51 -3.44 -0.07 0.00 -0.01 0.00 0.00 39.48 36.47 1ufg n PHE 30 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ufg n SER 31 N -1.95 2.21 -4.64 4.37 2.88 0.66 -4.79 113.62 112.36 1ufg n SER 31 Ca 0.00 -2.58 -0.48 0.00 -1.33 0.00 0.00 58.87 54.48 1ufg n SER 31 Cb 0.29 -0.93 -0.05 0.00 -0.75 0.00 0.00 64.21 62.77 1ufg n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ufg n GLN 32 N 6.98 1.77 -3.36 -1.46 6.02 -1.26 -3.96 117.38 122.11 1ufg n GLN 32 Ca 0.47 0.64 -0.06 0.00 -0.01 0.00 0.00 57.00 58.04 1ufg n GLN 32 Cb 0.37 -2.36 -0.07 0.00 1.02 0.00 0.00 30.24 29.21 1ufg n GLN 32 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1ufg s HIS 33 N 0.74 -1.00 0.22 1.08 -3.43 0.80 -5.02 115.29 108.68 1ufg s HIS 33 Ca 0.81 1.16 0.05 0.00 -0.80 0.00 0.00 55.06 56.27 1ufg s HIS 33 Cb -0.78 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.51 1ufg s HIS 33 CO 0.41 -0.72 -0.05 0.00 -2.00 0.00 0.00 174.74 172.39 1ufg s ALA 34 N 2.63 1.87 -0.17 -1.38 0.00 -1.26 0.44 121.76 123.89 1ufg s ALA 34 Ca 0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 1ufg s ALA 34 Cb -0.15 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.34 1ufg s ALA 34 CO -0.16 -0.15 0.18 0.50 0.00 0.00 0.00 175.76 176.12 1ufg s ARG 35 N -3.79 0.13 0.15 0.00 6.06 0.14 -4.97 118.95 116.68 1ufg s ARG 35 Ca 0.26 0.24 -0.10 0.00 -2.50 0.00 0.00 55.73 53.63 1ufg s ARG 35 Cb 0.04 -1.10 -0.06 0.00 0.06 0.00 0.00 34.95 33.89 1ufg s ARG 35 CO 0.08 -0.57 0.48 0.99 -2.50 0.00 0.00 175.30 173.77 1ufg s THR 36 N 2.29 5.00 -0.48 4.11 2.01 -1.26 -1.15 115.64 126.16 1ufg s THR 36 Ca 0.05 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.58 1ufg s THR 36 Cb -0.15 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 68.89 1ufg s THR 36 CO -0.10 0.12 0.63 -0.55 -0.69 0.00 0.00 174.62 174.03 1ufg s SER 37 N -2.06 -0.79 0.00 3.53 0.15 0.55 -4.93 113.70 110.15 1ufg s SER 37 Ca 0.40 -1.86 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1ufg s SER 37 Cb -0.13 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 1ufg s SER 37 CO 0.20 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1ufg n GLY 38 N 3.17 -0.48 0.12 9.45 0.00 -1.26 -4.50 105.19 111.69 1ufg n GLY 38 Ca 0.19 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 0.68 -3.46 1.61 1.74 -1.26 -4.88 116.66 111.09 1ufg n ARG 39 Ca 0.00 0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1ufg n ARG 39 Cb 0.00 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 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 -2.52 5.05 0.03 1.55 1.01 -1.26 -0.90 120.40 123.36 1ufg s VAL 40 Ca -0.24 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1ufg s VAL 40 Cb 0.08 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1ufg s VAL 40 CO 0.70 -0.50 0.22 0.00 0.00 0.00 0.00 175.10 175.52 1ufg s ALA 41 N -2.27 -0.47 -1.05 5.51 0.00 0.18 -4.58 121.76 119.09 1ufg s ALA 41 Ca 0.39 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.00 1ufg s ALA 41 Cb -0.09 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.30 1ufg s ALA 41 CO 0.35 -0.33 1.55 0.08 0.00 0.00 0.00 175.76 177.40 1ufg s VAL 42 N -2.21 3.89 0.14 0.00 1.01 -1.26 -0.92 120.40 121.06 1ufg s VAL 42 Ca -0.08 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1ufg s VAL 42 Cb -0.03 -4.96 -0.06 0.00 0.00 0.00 0.00 36.38 31.33 1ufg s VAL 42 CO -0.02 -1.83 1.49 -0.08 0.00 0.00 0.00 175.10 174.66 1ufg h GLU 43 N 9.67 -0.01 -1.59 2.72 4.22 -1.67 -3.43 114.58 124.49 1ufg h GLU 43 Ca 0.22 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.75 1ufg h GLU 43 Cb 0.99 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.98 1ufg h GLU 43 CO 1.41 -0.01 0.38 -2.00 -2.18 0.00 0.00 179.01 176.61 1ufg s GLU 44 N -5.26 0.45 -0.26 1.92 2.56 -0.55 -4.98 118.70 112.58 1ufg s GLU 44 Ca -0.11 0.68 0.03 0.00 0.00 0.00 0.00 54.97 55.57 1ufg s GLU 44 Cb 0.10 0.14 0.06 0.00 2.00 0.00 0.00 34.13 36.43 1ufg s GLU 44 CO 0.56 -0.08 -0.10 0.08 -0.56 0.00 0.00 175.26 175.16 1ufg s VAL 45 N 0.98 2.16 -0.40 3.70 1.01 -1.26 0.20 120.40 126.78 1ufg s VAL 45 Ca -0.05 -1.65 -0.42 0.00 0.00 0.00 0.00 61.98 59.87 1ufg s VAL 45 Cb -0.04 -2.28 -0.17 0.00 0.00 0.00 0.00 36.38 33.89 1ufg s VAL 45 CO -0.12 -0.05 1.92 -0.67 0.00 0.00 0.00 175.10 176.18 1ufg n ASP 46 N 4.43 1.63 -0.13 3.32 2.03 -0.92 -4.77 116.55 122.14 1ufg n ASP 46 Ca -0.13 0.85 0.04 0.00 0.52 0.00 0.00 54.79 56.07 1ufg n ASP 46 Cb 0.42 -1.04 0.35 0.00 -0.72 0.00 0.00 41.12 40.13 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 8.35 0.73 -0.00 -0.67 4.11 -1.95 0.35 114.58 125.49 1ufg h GLU 47 Ca -0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1ufg h GLU 47 Cb 1.36 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ufg h GLU 47 CO 1.01 0.48 0.00 0.93 0.07 0.00 0.00 179.01 181.51 1ufg h GLU 48 N 0.75 0.00 -1.64 1.06 5.08 -1.87 -3.43 114.58 114.52 1ufg h GLU 48 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1ufg h GLU 48 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ufg h GLU 48 CO -0.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.35 1ufg n GLY 49 N -1.47 0.42 1.16 -3.84 0.00 0.11 -3.99 105.19 97.58 1ufg n GLY 49 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.63 0.00 -3.93 1.61 5.02 -1.26 -3.50 118.16 115.47 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 0.27 -0.42 -0.09 0.00 -0.02 0.00 0.00 35.03 34.77 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 0.23 -0.23 2.13 -0.12 -1.26 0.14 117.98 116.86 1ufg s PHE 51 Ca 0.00 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.30 1ufg s PHE 51 Cb 0.00 -0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1ufg s PHE 51 CO 0.00 -0.41 -0.12 0.08 -0.05 0.00 0.00 175.22 174.72 1ufg s VAL 52 N -3.07 2.40 -0.19 -2.49 1.01 -0.22 -2.16 120.40 115.67 1ufg s VAL 52 Ca -0.01 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 1ufg s VAL 52 Cb 0.02 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1ufg s VAL 52 CO -0.07 0.21 0.26 -0.60 0.00 0.00 0.00 175.10 174.90 1ufg s ARG 53 N 1.23 4.20 -0.07 2.72 3.52 0.13 0.14 118.95 130.82 1ufg s ARG 53 Ca -0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.60 1ufg s ARG 53 Cb -0.17 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1ufg s ARG 53 CO -0.07 0.16 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.92 1ufg s LEU 54 N 0.72 1.80 0.09 -0.88 1.43 0.12 -1.48 118.68 120.48 1ufg s LEU 54 Ca 0.14 -0.36 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1ufg s LEU 54 Cb -0.13 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1ufg s LEU 54 CO 0.04 0.09 -0.26 -0.60 0.23 0.00 0.00 176.35 175.84 1ufg s ARG 55 N 0.46 1.51 -0.42 1.70 3.52 -0.09 0.52 118.95 126.15 1ufg s ARG 55 Ca -0.13 -1.23 -0.16 0.00 -0.13 0.00 0.00 55.73 54.07 1ufg s ARG 55 Cb -0.15 -1.86 0.02 0.00 -1.56 0.00 0.00 34.95 31.40 1ufg s ARG 55 CO 0.05 0.46 0.37 1.21 -0.81 0.00 0.00 175.30 176.57 1ufg s ASN 56 N -1.73 6.15 0.12 -2.12 2.47 0.59 -0.64 114.94 119.77 1ufg s ASN 56 Ca 0.12 -0.81 -0.06 0.00 0.42 0.00 0.00 52.86 52.54 1ufg s ASN 56 Cb -0.10 -2.19 -0.13 0.00 -1.45 0.00 0.00 41.25 37.38 1ufg s ASN 56 CO 0.04 -0.52 1.27 0.11 -3.72 0.00 0.00 177.10 174.28 1ufg h LYS 57 N 8.68 0.43 -7.12 0.43 6.56 -1.73 -1.04 116.57 122.78 1ufg h LYS 57 Ca -0.27 -0.49 -0.55 0.00 -1.06 0.00 0.00 60.65 58.29 1ufg h LYS 57 Cb 1.12 0.15 0.18 0.00 -0.57 0.00 0.00 32.23 33.10 1ufg h LYS 57 CO 0.76 1.15 0.33 -1.13 -2.06 0.00 0.00 179.45 178.50 1ufg n SER 58 N -3.74 1.18 -2.06 0.86 3.41 -0.08 -4.66 113.62 108.54 1ufg n SER 58 Ca -0.08 0.67 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 1ufg n SER 58 Cb 0.87 -1.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.53 1ufg n SER 58 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ufg n ASN 59 N -2.57 4.05 -3.92 4.04 6.94 -1.26 -2.72 115.26 119.81 1ufg n ASN 59 Ca 0.14 -3.35 -0.19 0.00 -0.02 0.00 0.00 54.58 51.16 1ufg n ASN 59 Cb 0.50 -0.78 -0.16 0.00 -2.36 0.00 0.00 39.78 36.98 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ufg s GLU 60 N -2.95 0.71 -0.18 -3.83 0.41 -1.26 -4.86 118.70 106.73 1ufg s GLU 60 Ca 0.52 -0.15 -0.33 0.00 -0.41 0.00 0.00 54.97 54.60 1ufg s GLU 60 Cb 0.43 -0.71 -0.10 0.00 -1.78 0.00 0.00 34.13 31.97 1ufg s GLU 60 CO 0.11 0.00 2.03 -0.25 -0.49 0.00 0.00 175.26 176.67 1ufg n ASP 61 N 3.63 3.07 -4.56 -0.19 8.00 -1.26 -4.21 116.55 121.02 1ufg n ASP 61 Ca -0.21 0.67 -0.38 0.00 0.71 0.00 0.00 54.79 55.57 1ufg n ASP 61 Cb 0.53 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.14 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1ufg s GLN 62 N 5.11 3.82 0.38 -1.24 2.00 -0.17 -4.92 119.66 124.64 1ufg s GLN 62 Ca 0.99 -0.41 -0.25 0.00 -2.00 0.00 0.00 55.36 53.69 1ufg s GLN 62 Cb -0.66 -3.67 -0.09 0.00 0.80 0.00 0.00 33.01 29.39 1ufg s GLN 62 CO 0.48 -0.24 1.07 0.45 -0.50 0.00 0.00 175.29 176.54 1ufg s SER 63 N 1.74 6.79 -0.16 6.67 0.15 -1.26 -0.11 113.70 127.52 1ufg s SER 63 Ca 0.07 2.10 0.19 0.00 0.70 0.00 0.00 55.95 59.01 1ufg s SER 63 Cb -0.16 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.01 1ufg s SER 63 CO 0.10 -0.47 1.17 0.23 1.20 0.00 0.00 173.24 175.47 1ufg n MET 64 N 0.10 1.38 -1.13 5.44 0.00 -0.54 -4.83 117.12 117.54 1ufg n MET 64 Ca 0.04 -3.03 -0.28 0.00 0.00 0.00 0.00 57.70 54.43 1ufg n MET 64 Cb 0.49 -1.14 -0.07 0.00 0.00 0.00 0.00 33.22 32.49 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 -0.32 3.68 0.00 3.03 0.00 -1.18 -2.95 105.19 107.45 1ufg n GLY 65 Ca 0.15 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ufg n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ufg n ASN 66 N 3.27 0.00 -4.13 1.61 5.03 -1.24 -4.49 115.26 115.31 1ufg n ASN 66 Ca 0.63 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.72 1ufg n ASN 66 Cb 0.44 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.27 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 -3.40 -4.10 3.10 7.02 -1.15 -4.41 117.44 114.50 1ufg n TRP 67 Ca 0.00 0.15 -0.10 0.00 -1.02 0.00 0.00 57.50 56.52 1ufg n TRP 67 Cb 0.00 -1.52 -0.08 0.00 -2.42 0.00 0.00 31.31 27.29 1ufg n TRP 67 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1ufg s GLN 68 N -2.53 1.38 -0.11 -0.99 -0.21 0.15 0.37 119.66 117.72 1ufg s GLN 68 Ca 0.45 -1.43 -0.01 0.00 0.02 0.00 0.00 55.36 54.38 1ufg s GLN 68 Cb -0.14 0.37 0.03 0.00 1.00 0.00 0.00 33.01 34.28 1ufg s GLN 68 CO 0.75 -0.52 -0.03 0.42 -2.12 0.00 0.00 175.29 173.79 1ufg s ILE 69 N -4.09 0.73 -0.19 1.08 1.01 0.56 0.39 121.20 120.70 1ufg s ILE 69 Ca 0.30 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1ufg s ILE 69 Cb 0.03 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1ufg s ILE 69 CO 0.10 0.23 0.24 -0.13 0.00 0.00 0.00 174.94 175.38 1ufg s ARG 70 N 1.82 4.20 -0.10 2.79 0.52 0.25 0.73 118.95 129.17 1ufg s ARG 70 Ca 0.04 -0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1ufg s ARG 70 Cb -0.13 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.90 1ufg s ARG 70 CO -0.07 0.19 -0.06 0.50 0.02 0.00 0.00 175.30 175.88 1ufg s ARG 71 N 0.64 1.30 -0.16 3.54 6.06 0.10 0.15 118.95 130.58 1ufg s ARG 71 Ca 0.13 -0.18 -0.01 0.00 -2.50 0.00 0.00 55.73 53.17 1ufg s ARG 71 Cb -0.13 -1.39 0.04 0.00 0.06 0.00 0.00 34.95 33.53 1ufg s ARG 71 CO 0.03 -0.24 -0.05 -1.14 -2.50 0.00 0.00 175.30 171.40 1ufg s GLN 72 N 1.63 1.38 -0.10 5.12 -0.44 0.12 -1.22 119.66 126.15 1ufg s GLN 72 Ca 0.02 -0.48 0.01 0.00 -2.50 0.00 0.00 55.36 52.41 1ufg s GLN 72 Cb -0.13 -1.96 -0.02 0.00 -1.64 0.00 0.00 33.01 29.27 1ufg s GLN 72 CO -0.06 -0.43 -0.13 -0.80 0.50 0.00 0.00 175.29 174.37 1ufg s ASN 73 N 1.66 4.02 0.00 6.67 -0.87 -1.26 -1.49 114.94 123.67 1ufg s ASN 73 Ca 0.01 -0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.02 1ufg s ASN 73 Cb -0.15 -1.34 0.00 0.00 -0.02 0.00 0.00 41.25 39.74 1ufg s ASN 73 CO -0.08 0.23 0.00 0.61 -2.57 0.00 0.00 177.10 175.29 1ufg n GLY 74 N 3.09 1.15 3.13 0.66 0.00 -1.18 -2.29 105.19 109.74 1ufg n GLY 74 Ca -0.18 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.64 5.96 -4.13 1.61 9.92 -1.26 -4.97 116.55 122.04 1ufg n ASP 75 Ca 0.00 -3.24 -0.22 0.00 -0.53 0.00 0.00 54.79 50.80 1ufg n ASP 75 Cb 0.00 -1.34 -0.09 0.00 -0.64 0.00 0.00 41.12 39.05 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 -0.30 2.12 -0.31 -2.24 1.11 -0.97 -5.10 116.67 110.98 1ufg s ASP 76 Ca 0.32 -1.56 -0.29 0.00 0.18 0.00 0.00 52.55 51.21 1ufg s ASP 76 Cb -0.00 0.33 -0.00 0.00 1.07 0.00 0.00 42.92 44.32 1ufg s ASP 76 CO 0.03 -0.84 1.36 -2.16 1.18 0.00 0.00 175.17 174.73 1ufg s PRO 77 N -3.80 3.83 0.06 8.23 0.04 -1.26 -4.80 135.00 137.30 1ufg s PRO 77 Ca 0.32 1.23 -0.35 0.00 0.04 0.00 0.00 61.00 62.24 1ufg s PRO 77 Cb 0.05 -3.93 -0.14 0.00 0.04 0.00 0.00 34.50 30.52 1ufg s PRO 77 CO 0.16 -1.23 1.60 -0.11 0.04 0.00 0.00 177.00 177.46 1ufg n LEU 78 N 7.95 2.78 -4.46 -3.56 7.94 -1.26 -4.92 117.00 121.47 1ufg n LEU 78 Ca 0.16 1.07 -0.34 0.00 -1.11 0.00 0.00 56.01 55.78 1ufg n LEU 78 Cb 0.47 -1.34 -0.12 0.00 0.53 0.00 0.00 43.42 42.95 1ufg n LEU 78 CO 0.65 -0.43 -0.34 0.00 -1.11 0.00 0.00 177.39 176.16 1ufg s MET 79 N 1.65 3.63 -0.39 1.96 0.23 -0.36 -4.96 119.30 121.07 1ufg s MET 79 Ca 0.84 -0.52 -0.02 0.00 -1.03 0.00 0.00 55.69 54.96 1ufg s MET 79 Cb -0.78 -3.02 0.10 0.00 -1.53 0.00 0.00 34.83 29.61 1ufg s MET 79 CO 0.45 0.08 0.16 0.99 -2.03 0.00 0.00 175.02 174.67 1ufg s THR 80 N 0.80 3.08 -0.74 3.16 2.01 -1.26 0.02 115.64 122.71 1ufg s THR 80 Ca -0.00 -2.07 -0.25 0.00 0.31 0.00 0.00 61.69 59.68 1ufg s THR 80 Cb -0.14 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.30 1ufg s THR 80 CO 0.02 -0.64 1.20 -0.47 -0.69 0.00 0.00 174.62 174.04 1ufg s TYR 81 N 1.10 2.43 -0.08 4.92 5.04 0.22 -4.78 117.35 126.20 1ufg s TYR 81 Ca 0.08 -0.29 -0.30 0.00 -2.44 0.00 0.00 57.07 54.12 1ufg s TYR 81 Cb -0.22 -4.53 -0.02 0.00 0.35 0.00 0.00 41.96 37.54 1ufg s TYR 81 CO -0.05 -1.93 1.15 0.50 -1.34 0.00 0.00 175.55 173.88 1ufg s ARG 82 N 5.12 4.36 0.98 4.97 3.52 -1.26 -0.32 118.95 136.32 1ufg s ARG 82 Ca 0.32 1.59 -0.12 0.00 -0.13 0.00 0.00 55.73 57.39 1ufg s ARG 82 Cb -0.10 -3.57 0.18 0.00 -1.56 0.00 0.00 34.95 29.90 1ufg s ARG 82 CO 0.11 -0.44 1.09 -0.06 -0.81 0.00 0.00 175.30 175.19 1ufg s PHE 83 N 2.30 2.08 0.41 5.12 0.08 0.16 -4.95 117.98 123.18 1ufg s PHE 83 Ca 0.53 1.11 -0.23 0.00 0.12 0.00 0.00 56.93 58.46 1ufg s PHE 83 Cb -0.22 -3.21 -0.09 0.00 -0.57 0.00 0.00 43.02 38.92 1ufg s PHE 83 CO 0.20 -2.84 1.05 -1.25 -0.10 0.00 0.00 175.22 172.28 1ufg s PRO 84 N -4.90 4.10 0.00 0.24 0.04 -1.26 -4.28 135.00 128.95 1ufg s PRO 84 Ca 0.65 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1ufg s PRO 84 Cb -0.19 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1ufg s PRO 84 CO 0.58 -0.20 0.69 -0.35 0.04 0.00 0.00 177.00 177.76 1ufg n PRO 85 N -0.20 0.75 -2.58 0.56 -0.04 -1.26 -2.95 135.00 129.27 1ufg n PRO 85 Ca 0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 1ufg n PRO 85 Cb 0.50 -1.06 0.02 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.40 2.07 -4.32 0.54 4.01 -1.26 -4.63 118.16 114.18 1ufg n LYS 86 Ca 0.00 -3.71 -0.21 0.00 -0.51 0.00 0.00 58.31 53.88 1ufg n LYS 86 Cb 0.03 -1.66 -0.13 0.00 -0.51 0.00 0.00 35.03 32.76 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1ufg s PHE 87 N -3.38 1.41 -0.20 2.13 5.36 -1.15 -5.02 117.98 117.13 1ufg s PHE 87 Ca 0.35 -0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 55.88 1ufg s PHE 87 Cb 0.42 -0.81 0.10 0.00 -0.34 0.00 0.00 43.02 42.38 1ufg s PHE 87 CO -0.03 0.08 0.28 0.99 -1.46 0.00 0.00 175.22 175.08 1ufg s THR 88 N -1.04 -0.43 -0.75 0.12 2.01 -1.26 -1.46 115.64 112.82 1ufg s THR 88 Ca 0.02 -0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 1ufg s THR 88 Cb -0.09 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.82 1ufg s THR 88 CO 0.02 -0.10 1.16 -0.22 -0.69 0.00 0.00 174.62 174.79 1ufg s LEU 89 N 2.42 3.85 1.09 4.42 2.96 0.85 -4.93 118.68 129.34 1ufg s LEU 89 Ca 0.07 -0.91 -0.20 0.00 -0.22 0.00 0.00 54.13 52.87 1ufg s LEU 89 Cb -0.15 -2.49 0.05 0.00 0.50 0.00 0.00 46.19 44.11 1ufg s LEU 89 CO -0.12 -1.58 -0.28 0.29 -1.32 0.00 0.00 176.35 173.33 1ufg n LYS 90 N 8.42 -1.38 -2.88 1.98 5.02 -1.26 -1.00 118.16 127.06 1ufg n LYS 90 Ca 0.05 -0.39 -0.40 0.00 -2.02 0.00 0.00 58.31 55.55 1ufg n LYS 90 Cb 0.48 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.17 3.31 0.00 7.82 0.00 -1.26 -3.20 121.76 126.26 1ufg s ALA 91 Ca 0.51 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1ufg s ALA 91 Cb -0.07 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1ufg s ALA 91 CO 0.64 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1ufg n GLY 92 N 2.34 0.41 3.97 0.00 0.00 -0.39 -4.91 105.19 106.60 1ufg n GLY 92 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.67 1.85 0.05 1.61 1.11 -1.19 -4.78 119.66 117.64 1ufg s GLN 93 Ca 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 55.36 54.54 1ufg s GLN 93 Cb 0.00 -2.28 -0.02 0.00 -1.01 0.00 0.00 33.01 29.70 1ufg s GLN 93 CO 0.00 -1.35 0.04 0.54 0.01 0.00 0.00 175.29 174.53 1ufg s VAL 94 N -3.16 0.17 0.00 1.09 0.11 -1.26 -0.30 120.40 117.05 1ufg s VAL 94 Ca 0.64 -1.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.26 1ufg s VAL 94 Cb -0.07 -1.15 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1ufg s VAL 94 CO 0.44 -0.77 0.07 0.54 -3.33 0.00 0.00 175.10 172.05 1ufg s VAL 95 N -3.22 0.08 -0.09 2.04 0.11 0.19 -4.79 120.40 114.73 1ufg s VAL 95 Ca 0.00 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1ufg s VAL 95 Cb 0.03 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1ufg s VAL 95 CO -0.07 -0.38 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.23 1ufg s THR 96 N -1.22 1.77 -0.77 5.04 2.01 -0.46 0.10 115.64 122.11 1ufg s THR 96 Ca -0.13 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.03 1ufg s THR 96 Cb -0.08 -1.54 0.19 0.00 0.01 0.00 0.00 72.50 71.08 1ufg s THR 96 CO 0.00 0.50 0.60 -0.63 -0.69 0.00 0.00 174.62 174.40 1ufg s ILE 97 N 0.39 3.49 0.89 1.82 1.09 0.12 0.13 121.20 129.13 1ufg s ILE 97 Ca -0.16 -4.06 -0.11 0.00 -1.10 0.00 0.00 60.65 55.22 1ufg s ILE 97 Cb -0.17 -3.23 0.13 0.00 -1.06 0.00 0.00 42.46 38.12 1ufg s ILE 97 CO 0.07 -1.03 1.10 0.26 -0.10 0.00 0.00 174.94 175.24 1ufg s TRP 98 N -1.35 2.16 0.01 3.97 0.52 0.43 -1.06 118.94 123.62 1ufg s TRP 98 Ca 0.25 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.84 1ufg s TRP 98 Cb -0.07 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 1ufg s TRP 98 CO -0.14 -2.44 0.00 0.00 0.02 0.00 0.00 176.95 174.39 1ufg s ALA 99 N -2.82 3.28 0.17 0.98 0.00 0.37 0.20 121.76 123.94 1ufg s ALA 99 Ca 0.64 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 1ufg s ALA 99 Cb -0.19 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.63 1ufg s ALA 99 CO 0.58 0.65 1.45 0.45 0.00 0.00 0.00 175.76 178.89 1ufg n SER 100 N 1.33 -0.87 -0.27 0.00 2.88 0.37 0.33 113.62 117.39 1ufg n SER 100 Ca -0.14 1.66 -0.03 0.00 -1.33 0.00 0.00 58.87 59.04 1ufg n SER 100 Cb 0.53 -0.27 0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1ufg n SER 100 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ufg h GLY 101 N 0.00 0.06 -2.92 0.46 0.00 0.33 -3.41 103.07 97.60 1ufg h GLY 101 Ca 0.21 0.44 -0.57 0.00 0.00 0.00 0.00 47.33 47.41 1ufg h GLY 101 CO -0.90 -0.22 0.16 0.00 0.00 0.00 0.00 176.54 175.57 1ufg n ALA 102 N -3.28 0.27 -1.00 3.60 0.00 0.15 -4.85 120.51 115.41 1ufg n ALA 102 Ca 0.07 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 1ufg n ALA 102 Cb 0.38 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 1.23 3.97 3.83 0.00 0.00 -1.26 -4.76 105.19 108.20 1ufg n GLY 103 Ca 0.12 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg s ALA 104 N -1.49 1.91 -0.18 4.61 0.00 -1.26 -5.06 121.76 120.28 1ufg s ALA 104 Ca 0.36 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1ufg s ALA 104 Cb 0.26 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.52 1ufg s ALA 104 CO -0.05 -2.47 -0.10 0.99 0.00 0.00 0.00 175.76 174.13 1ufg s THR 105 N -3.53 1.48 -0.29 0.00 2.01 -1.26 -5.07 115.64 108.97 1ufg s THR 105 Ca 0.69 -0.82 -0.34 0.00 0.31 0.00 0.00 61.69 61.53 1ufg s THR 105 Cb -0.09 -1.54 -0.10 0.00 0.01 0.00 0.00 72.50 70.78 1ufg s THR 105 CO 0.53 0.22 2.15 1.57 -0.69 0.00 0.00 174.62 178.40 1ufg n HIS 106 N 4.76 1.78 -3.10 4.92 -0.00 -1.26 -4.68 115.22 117.64 1ufg n HIS 106 Ca -0.14 0.17 -0.20 0.00 0.46 0.00 0.00 57.72 58.00 1ufg n HIS 106 Cb 0.48 -2.59 -0.04 0.00 -0.12 0.00 0.00 29.99 27.72 1ufg n HIS 106 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ufg n SER 107 N 9.74 -0.40 -4.79 0.26 2.88 -1.09 -4.98 113.62 115.24 1ufg n SER 107 Ca 0.36 -2.87 -0.29 0.00 -1.33 0.00 0.00 58.87 54.75 1ufg n SER 107 Cb 0.28 -0.10 0.13 0.00 -0.75 0.00 0.00 64.21 63.77 1ufg n SER 107 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ufg s PRO 108 N -0.92 1.19 0.01 -1.46 0.04 0.77 0.18 135.00 134.80 1ufg s PRO 108 Ca 0.35 0.31 0.22 0.00 0.04 0.00 0.00 61.00 61.91 1ufg s PRO 108 Cb 0.20 -1.84 0.93 0.00 0.04 0.00 0.00 34.50 33.83 1ufg s PRO 108 CO -0.13 -2.17 1.70 -0.35 0.04 0.00 0.00 177.00 176.09 1ufg n PRO 109 N -3.75 0.01 0.00 0.56 -0.04 -1.26 -4.73 135.00 125.79 1ufg n PRO 109 Ca 0.07 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1ufg n PRO 109 Cb 0.59 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.52 0.00 -2.43 0.52 -2.24 -1.16 -4.74 114.28 102.71 1ufg n THR 110 Ca 0.05 0.82 -0.37 0.00 -2.27 0.00 0.00 64.05 62.28 1ufg n THR 110 Cb 0.26 -1.77 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 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 -1.95 6.54 0.00 3.42 1.01 0.48 -1.35 116.67 124.82 1ufg s ASP 111 Ca 0.00 2.15 -0.06 0.00 0.71 0.00 0.00 52.55 55.35 1ufg s ASP 111 Cb 0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 1ufg s ASP 111 CO 0.00 -0.65 0.11 -0.76 0.21 0.00 0.00 175.17 174.08 1ufg s LEU 112 N -2.77 1.65 -0.19 1.23 1.43 0.34 -0.17 118.68 120.21 1ufg s LEU 112 Ca 0.60 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1ufg s LEU 112 Cb -0.25 0.57 0.03 0.00 0.03 0.00 0.00 46.19 46.57 1ufg s LEU 112 CO 0.30 -0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 175.71 1ufg s VAL 113 N -1.27 1.85 -0.76 -1.59 1.01 -1.26 0.16 120.40 118.55 1ufg s VAL 113 Ca -0.14 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 1ufg s VAL 113 Cb -0.07 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1ufg s VAL 113 CO 0.01 0.37 1.33 0.86 0.00 0.00 0.00 175.10 177.67 1ufg s TRP 114 N 1.34 2.27 -0.05 5.22 -0.00 0.13 -4.81 118.94 123.04 1ufg s TRP 114 Ca 0.02 -0.07 -0.21 0.00 -0.00 0.00 0.00 56.10 55.83 1ufg s TRP 114 Cb -0.14 -4.61 -0.31 0.00 -0.00 0.00 0.00 33.47 28.41 1ufg s TRP 114 CO -0.10 -2.08 0.85 0.87 -0.00 0.00 0.00 176.95 176.49 1ufg h LYS 115 N 10.26 0.30 -0.93 5.86 1.57 -1.95 0.11 116.57 131.78 1ufg h LYS 115 Ca -0.24 -0.51 0.28 0.00 -1.87 0.00 0.00 60.65 58.32 1ufg h LYS 115 Cb 1.05 0.19 -0.16 0.00 0.08 0.00 0.00 32.23 33.39 1ufg h LYS 115 CO 1.29 1.24 0.27 0.00 -0.57 0.00 0.00 179.45 181.68 1ufg h ALA 116 N 0.06 1.45 -0.98 3.86 0.00 -2.01 -3.40 119.26 118.24 1ufg h ALA 116 Ca -0.17 0.25 -0.47 0.00 0.00 0.00 0.00 54.91 54.53 1ufg h ALA 116 Cb 1.67 0.37 0.02 0.00 0.00 0.00 0.00 17.79 19.85 1ufg h ALA 116 CO 0.14 -0.57 -0.15 -0.65 0.00 0.00 0.00 179.25 178.02 1ufg s GLN 117 N -5.86 2.46 -0.01 0.00 -1.52 -1.24 -5.04 119.66 108.44 1ufg s GLN 117 Ca -0.12 -1.53 0.06 0.00 -1.95 0.00 0.00 55.36 51.82 1ufg s GLN 117 Cb 0.28 -2.67 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 1ufg s GLN 117 CO 0.78 -0.68 0.12 0.27 -0.25 0.00 0.00 175.29 175.53 1ufg n ASN 118 N -2.12 3.71 -3.55 5.90 0.23 -1.26 -4.04 115.26 114.13 1ufg n ASN 118 Ca 0.13 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.10 1ufg n ASN 118 Cb 0.61 1.23 -0.03 0.00 -2.08 0.00 0.00 39.78 39.51 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 -2.38 0.00 -0.10 5.53 -1.32 -1.26 0.96 115.64 117.07 1ufg s THR 119 Ca -0.02 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.71 1ufg s THR 119 Cb 0.04 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.30 1ufg s THR 119 CO 0.23 0.00 1.74 -0.50 -2.21 0.00 0.00 174.62 173.88 1ufg h TRP 120 N 2.15 0.00 0.00 9.09 4.06 -1.83 -3.49 115.95 125.92 1ufg h TRP 120 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 1ufg h TRP 120 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1ufg h TRP 120 CO 0.27 0.14 0.00 0.41 -3.56 0.00 0.00 178.44 175.70 1ufg n GLY 121 N 0.59 2.72 0.78 1.49 0.00 -1.26 -4.82 105.19 104.69 1ufg n GLY 121 Ca 0.02 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 3.69 3.87 0.32 0.00 0.00 -1.26 -4.66 105.19 107.15 1ufg n GLY 123 Ca -0.04 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.41 -3.45 1.61 4.64 -1.95 -3.35 113.55 110.65 1ufg h SER 124 Ca 0.00 0.24 -0.61 0.00 -0.47 0.00 0.00 61.79 60.95 1ufg h SER 124 Cb 0.00 0.42 -0.14 0.00 -0.31 0.00 0.00 62.40 62.37 1ufg h SER 124 CO 0.00 -0.27 -0.51 -0.44 -0.87 0.00 0.00 176.83 174.74 1ufg s SER 125 N -5.10 6.09 0.03 4.97 0.01 -1.26 0.70 113.70 119.14 1ufg s SER 125 Ca -0.13 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.30 1ufg s SER 125 Cb 0.26 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 1ufg s SER 125 CO 0.77 0.11 -0.09 -0.76 0.41 0.00 0.00 173.24 173.69 1ufg s LEU 126 N 0.76 2.16 -0.08 2.44 1.43 0.22 -3.11 118.68 122.52 1ufg s LEU 126 Ca 0.07 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1ufg s LEU 126 Cb -0.13 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.84 1ufg s LEU 126 CO 0.02 -0.07 0.15 -0.60 0.23 0.00 0.00 176.35 176.08 1ufg s ARG 127 N -1.05 0.04 0.32 1.70 3.52 -0.55 -0.74 118.95 122.19 1ufg s ARG 127 Ca -0.04 0.50 0.10 0.00 -0.13 0.00 0.00 55.73 56.17 1ufg s ARG 127 Cb -0.07 -0.25 -0.06 0.00 -1.56 0.00 0.00 34.95 33.00 1ufg s ARG 127 CO 0.00 -0.27 -0.12 0.99 -0.81 0.00 0.00 175.30 175.09 1ufg s THR 128 N 1.98 2.27 0.02 4.11 2.01 0.14 0.13 115.64 126.31 1ufg s THR 128 Ca -0.00 -2.26 -0.26 0.00 0.31 0.00 0.00 61.69 59.48 1ufg s THR 128 Cb -0.12 -2.53 0.06 0.00 0.01 0.00 0.00 72.50 69.92 1ufg s THR 128 CO -0.06 -0.27 0.60 0.00 -0.69 0.00 0.00 174.62 174.20 1ufg s ALA 129 N -2.61 -1.56 -0.09 7.40 0.00 0.39 -1.81 121.76 123.49 1ufg s ALA 129 Ca 0.31 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1ufg s ALA 129 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 1ufg s ALA 129 CO 0.16 -0.49 -0.23 -1.17 0.00 0.00 0.00 175.76 174.03 1ufg s LEU 130 N -1.75 2.05 0.06 0.00 2.96 0.48 0.86 118.68 123.35 1ufg s LEU 130 Ca -0.07 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1ufg s LEU 130 Cb -0.01 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1ufg s LEU 130 CO 0.02 0.16 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.48 1ufg s ILE 131 N 0.28 3.39 0.01 6.68 -1.09 0.16 -1.03 121.20 129.60 1ufg s ILE 131 Ca -0.16 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.18 1ufg s ILE 131 Cb -0.17 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1ufg s ILE 131 CO 0.08 0.24 0.01 -0.46 -1.23 0.00 0.00 174.94 173.58 1ufg n ASN 132 N 1.12 0.18 -0.30 3.58 0.23 -0.57 0.30 115.26 119.80 1ufg n ASN 132 Ca -0.14 -1.03 -0.08 0.00 -0.53 0.00 0.00 54.58 52.80 1ufg n ASN 132 Cb 0.52 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.75 -4.89 0.53 3.41 -1.26 -4.33 113.62 103.48 1ufg n SER 133 Ca 0.00 1.27 -0.29 0.00 -0.26 0.00 0.00 58.87 59.59 1ufg n SER 133 Cb 0.01 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 63.82 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 -5.34 4.19 -0.64 6.66 -1.32 -1.26 -4.73 115.64 113.19 1ufg s THR 134 Ca -0.09 0.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.77 1ufg s THR 134 Cb 0.08 -3.67 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 1ufg s THR 134 CO 0.44 -0.79 1.82 0.61 -2.21 0.00 0.00 174.62 174.49 1ufg n GLY 135 N -2.67 2.69 3.02 6.08 0.00 -1.26 -4.76 105.19 108.29 1ufg n GLY 135 Ca 0.05 -0.62 -0.18 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 3.74 0.68 0.14 1.61 2.12 -1.26 -5.03 118.70 120.70 1ufg s GLU 136 Ca 0.29 -0.37 -0.20 0.00 0.36 0.00 0.00 54.97 55.06 1ufg s GLU 136 Cb 0.08 -0.64 -0.07 0.00 0.26 0.00 0.00 34.13 33.75 1ufg s GLU 136 CO -0.02 0.17 0.64 -2.00 -0.54 0.00 0.00 175.26 173.51 1ufg s GLU 137 N -0.38 4.24 -0.12 4.30 2.12 -1.26 -1.51 118.70 126.09 1ufg s GLU 137 Ca 0.02 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.19 1ufg s GLU 137 Cb -0.04 -3.10 -0.10 0.00 0.26 0.00 0.00 34.13 31.14 1ufg s GLU 137 CO -0.00 0.54 -0.06 1.33 -0.54 0.00 0.00 175.26 176.53 1ufg n VAL 138 N 1.30 0.76 -3.74 3.70 0.24 -0.19 -4.95 118.33 115.44 1ufg n VAL 138 Ca -0.07 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.78 1ufg n VAL 138 Cb 0.51 -0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.26 -0.63 -0.07 2.33 0.00 -1.25 0.20 121.76 120.08 1ufg s ALA 139 Ca -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 1ufg s ALA 139 Cb 0.04 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1ufg s ALA 139 CO 0.35 -0.52 0.19 0.00 0.00 0.00 0.00 175.76 175.78 1ufg s MET 140 N -3.38 0.20 -0.21 0.00 0.23 -0.30 -0.38 119.30 115.45 1ufg s MET 140 Ca 0.01 0.31 0.00 0.00 -1.03 0.00 0.00 55.69 54.98 1ufg s MET 140 Cb 0.02 0.04 0.02 0.00 -1.53 0.00 0.00 34.83 33.38 1ufg s MET 140 CO -0.09 -0.06 -0.14 0.50 -2.03 0.00 0.00 175.02 173.20 1ufg s ARG 141 N 0.38 2.89 -0.15 3.16 3.52 -0.75 0.27 118.95 128.28 1ufg s ARG 141 Ca -0.02 -0.91 -0.04 0.00 -0.13 0.00 0.00 55.73 54.63 1ufg s ARG 141 Cb -0.04 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1ufg s ARG 141 CO -0.02 -0.30 -0.02 0.21 -0.81 0.00 0.00 175.30 174.36 1ufg s LYS 142 N 1.29 3.59 -0.25 5.12 2.20 0.17 0.28 119.74 132.14 1ufg s LYS 142 Ca 0.02 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1ufg s LYS 142 Cb -0.15 -2.93 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1ufg s LYS 142 CO -0.09 0.32 0.00 -0.51 -0.36 0.00 0.00 175.35 174.71 1ufg s LEU 143 N 0.15 2.42 -0.10 5.43 2.01 0.08 -0.14 118.68 128.54 1ufg s LEU 143 Ca -0.00 -1.28 0.02 0.00 0.01 0.00 0.00 54.13 52.88 1ufg s LEU 143 Cb -0.13 -1.04 -0.02 0.00 0.01 0.00 0.00 46.19 45.01 1ufg s LEU 143 CO 0.02 -0.30 -0.16 -0.69 1.01 0.00 0.00 176.35 176.24 1ufg s VAL 144 N 1.49 2.82 0.09 -1.59 1.01 -1.25 0.73 120.40 123.69 1ufg s VAL 144 Ca -0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1ufg s VAL 144 Cb -0.18 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 1ufg s VAL 144 CO -0.10 0.55 0.73 -0.60 0.00 0.00 0.00 175.10 175.68 1ufg s ARG 145 N 0.00 4.47 -0.58 2.72 3.52 0.22 0.24 118.95 129.55 1ufg s ARG 145 Ca -0.05 1.03 -0.20 0.00 -0.13 0.00 0.00 55.73 56.38 1ufg s ARG 145 Cb -0.14 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1ufg s ARG 145 CO 0.04 0.44 0.77 0.45 -0.81 0.00 0.00 175.30 176.19 1ufg s SER 146 N -0.58 6.21 0.00 -2.12 0.15 -1.26 -4.85 113.70 111.25 1ufg s SER 146 Ca 0.36 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1ufg s SER 146 Cb -0.21 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1ufg s SER 146 CO 0.23 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1ufg n GLY 147 N 5.24 2.23 3.82 9.45 0.00 -1.26 -5.02 105.19 119.64 1ufg n GLY 147 Ca -0.06 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1ufg n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufg s PRO 148 N 3.74 3.02 -0.11 1.61 0.04 -1.26 -5.02 135.00 137.01 1ufg s PRO 148 Ca 0.00 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 1ufg s PRO 148 Cb 0.00 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1ufg s PRO 148 CO 0.00 -1.03 -0.09 0.77 0.04 0.00 0.00 177.00 176.68 1ufg h SER 149 N -0.50 0.00 -0.95 6.66 0.02 -2.02 -3.47 113.55 113.29 1ufg h SER 149 Ca -0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1ufg h SER 149 Cb 1.21 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 1ufg h SER 149 CO 0.57 0.58 -0.39 -0.94 -1.14 0.00 0.00 176.83 175.50 1ufg s SER 150 N -5.39 -1.52 0.00 3.07 1.04 -1.26 -5.13 113.70 104.51 1ufg s SER 150 Ca -0.08 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1ufg s SER 150 Cb 0.01 1.93 0.00 0.00 0.10 0.00 0.00 66.02 68.07 1ufg s SER 150 CO 0.11 -0.22 0.32 0.61 0.98 0.00 0.00 173.24 175.04