#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 6.26 0.04 1.61 0.01 -1.26 -5.00 113.70 115.36 1ufg s SER 2 Ca 0.00 2.90 -0.28 0.00 1.31 0.00 0.00 55.95 59.88 1ufg s SER 2 Cb 0.00 -2.66 0.09 0.00 0.21 0.00 0.00 66.02 63.67 1ufg s SER 2 CO 0.00 -0.91 0.97 -0.44 0.41 0.00 0.00 173.24 173.27 1ufg s SER 3 N -0.39 -0.26 -0.06 2.44 0.01 -1.26 -5.19 113.70 109.00 1ufg s SER 3 Ca 0.55 -0.16 -0.32 0.00 1.31 0.00 0.00 55.95 57.34 1ufg s SER 3 Cb -0.43 0.39 0.12 0.00 0.21 0.00 0.00 66.02 66.31 1ufg s SER 3 CO 0.58 -0.67 1.24 -0.83 0.41 0.00 0.00 173.24 173.97 1ufg s GLY 4 N -2.66 -0.37 -0.27 3.44 0.00 -1.26 -5.18 107.32 101.01 1ufg s GLY 4 Ca 0.09 0.95 -0.28 0.00 0.00 0.00 0.00 44.72 45.47 1ufg s GLY 4 CO -0.04 0.24 1.32 -0.45 0.00 0.00 0.00 173.10 174.17 1ufg s SER 5 N -2.73 -0.09 -0.23 1.64 0.15 -1.26 -5.19 113.70 105.99 1ufg s SER 5 Ca 0.12 0.12 -0.34 0.00 0.70 0.00 0.00 55.95 56.56 1ufg s SER 5 Cb 0.03 0.10 0.16 0.00 -1.71 0.00 0.00 66.02 64.59 1ufg s SER 5 CO -0.04 -0.07 1.26 -0.44 1.20 0.00 0.00 173.24 175.15 1ufg s SER 6 N -0.80 -0.11 0.00 5.45 0.01 -1.26 -5.19 113.70 111.80 1ufg s SER 6 Ca 0.07 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1ufg s SER 6 Cb -0.02 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1ufg s SER 6 CO -0.08 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1ufg n GLY 7 N 0.16 1.09 3.58 3.44 0.00 -1.26 -5.17 105.19 107.04 1ufg n GLY 7 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 0.60 -0.03 1.61 -0.21 -1.26 -5.13 119.66 113.24 1ufg s GLN 8 Ca 0.00 1.28 -0.30 0.00 0.02 0.00 0.00 55.36 56.36 1ufg s GLN 8 Cb 0.00 0.46 -0.06 0.00 1.00 0.00 0.00 33.01 34.41 1ufg s GLN 8 CO 0.00 -0.18 1.53 0.45 -2.12 0.00 0.00 175.29 174.97 1ufg s SER 9 N 2.24 6.74 0.54 5.90 0.15 -1.26 -4.97 113.70 123.05 1ufg s SER 9 Ca -0.08 2.19 -0.20 0.00 0.70 0.00 0.00 55.95 58.56 1ufg s SER 9 Cb -0.09 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1ufg s SER 9 CO -0.18 -0.83 1.20 -1.10 1.20 0.00 0.00 173.24 173.52 1ufg s GLN 10 N 3.20 3.27 0.00 5.44 -0.21 -1.26 -4.90 119.66 125.19 1ufg s GLN 10 Ca 0.68 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.89 1ufg s GLN 10 Cb -0.33 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1ufg s GLN 10 CO 0.27 -0.97 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 1ufg n GLY 11 N 0.45 1.68 0.00 3.09 0.00 -1.26 -5.18 105.19 103.97 1ufg n GLY 11 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ufg n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufg n GLY 12 N 0.00 2.84 3.42 -0.02 0.00 -1.26 -4.97 105.19 105.19 1ufg n GLY 12 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 5.00 -1.17 3.93 -0.02 0.00 -1.26 -5.00 105.19 106.67 1ufg n GLY 13 Ca 0.00 0.51 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 1ufg n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufg s SER 14 N -3.19 5.83 -0.78 1.61 1.04 -1.26 -5.06 113.70 111.89 1ufg s SER 14 Ca 0.21 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1ufg s SER 14 Cb -0.06 -1.35 0.18 0.00 0.10 0.00 0.00 66.02 64.89 1ufg s SER 14 CO 0.81 -0.26 0.78 -0.69 0.98 0.00 0.00 173.24 174.86 1ufg s VAL 15 N -2.15 5.36 -0.29 5.02 1.01 -1.26 -5.02 120.40 123.07 1ufg s VAL 15 Ca 0.39 -2.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.04 1ufg s VAL 15 Cb -0.08 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1ufg s VAL 15 CO 0.29 -1.09 0.85 0.28 0.00 0.00 0.00 175.10 175.43 1ufg s THR 16 N 0.94 4.75 -0.28 3.92 -1.32 -1.26 -4.98 115.64 117.42 1ufg s THR 16 Ca 0.17 1.36 -0.35 0.00 -1.21 0.00 0.00 61.69 61.67 1ufg s THR 16 Cb -0.13 -4.19 0.17 0.00 -1.51 0.00 0.00 72.50 66.84 1ufg s THR 16 CO -0.06 -0.25 1.37 -0.75 -2.21 0.00 0.00 174.62 172.71 1ufg s LYS 17 N 3.05 0.05 -0.12 7.08 2.36 -1.26 -5.15 119.74 125.75 1ufg s LYS 17 Ca 0.35 -0.01 -0.11 0.00 -2.55 0.00 0.00 55.97 53.65 1ufg s LYS 17 Cb -0.14 0.02 -0.05 0.00 -1.05 0.00 0.00 37.83 36.62 1ufg s LYS 17 CO 0.12 -0.02 0.25 -1.59 1.55 0.00 0.00 175.35 175.65 1ufg s LYS 18 N -1.64 3.92 -0.31 4.03 -2.85 -1.26 -5.01 119.74 116.62 1ufg s LYS 18 Ca 0.10 0.05 -0.12 0.00 -1.00 0.00 0.00 55.97 55.01 1ufg s LYS 18 Cb -0.01 -3.31 0.20 0.00 -2.06 0.00 0.00 37.83 32.65 1ufg s LYS 18 CO -0.05 0.51 1.14 0.50 0.10 0.00 0.00 175.35 177.55 1ufg s ARG 19 N -0.34 0.05 0.37 1.78 3.00 -1.26 -5.15 118.95 117.41 1ufg s ARG 19 Ca 0.16 -0.02 -0.27 0.00 -1.00 0.00 0.00 55.73 54.60 1ufg s ARG 19 Cb -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 34.95 34.72 1ufg s ARG 19 CO 0.05 -0.07 1.36 0.21 0.00 0.00 0.00 175.30 176.85 1ufg s LYS 20 N 1.79 4.13 0.05 5.12 2.20 -1.26 -5.02 119.74 126.75 1ufg s LYS 20 Ca 0.16 2.30 0.01 0.00 -0.36 0.00 0.00 55.97 58.08 1ufg s LYS 20 Cb 0.07 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 1ufg s LYS 20 CO -0.15 -0.41 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.20 1ufg s LEU 21 N -2.13 2.34 -0.37 5.43 0.20 -1.26 -5.11 118.68 117.78 1ufg s LEU 21 Ca 0.53 -0.70 -0.29 0.00 0.69 0.00 0.00 54.13 54.36 1ufg s LEU 21 Cb -0.41 -0.05 0.02 0.00 -0.43 0.00 0.00 46.19 45.32 1ufg s LEU 21 CO 0.54 -0.33 1.10 -0.70 -0.29 0.00 0.00 176.35 176.67 1ufg s GLU 22 N -2.37 3.95 0.07 1.98 2.12 -1.26 -5.01 118.70 118.18 1ufg s GLU 22 Ca -0.04 0.92 0.09 0.00 0.36 0.00 0.00 54.97 56.30 1ufg s GLU 22 Cb -0.04 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1ufg s GLU 22 CO -0.02 -1.06 -0.25 0.45 -0.54 0.00 0.00 175.26 173.84 1ufg s SER 23 N 1.93 3.03 -0.11 -1.70 0.15 -1.26 -5.07 113.70 110.67 1ufg s SER 23 Ca 0.46 -0.63 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1ufg s SER 23 Cb -0.11 -0.24 -0.07 0.00 -1.71 0.00 0.00 66.02 63.89 1ufg s SER 23 CO 0.21 0.20 2.10 -0.24 1.20 0.00 0.00 173.24 176.71 1ufg n SER 24 N 1.50 3.62 -4.76 5.45 2.88 -1.26 -4.91 113.62 116.14 1ufg n SER 24 Ca -0.17 0.55 -0.39 0.00 -1.33 0.00 0.00 58.87 57.52 1ufg n SER 24 Cb 0.53 -1.52 0.02 0.00 -0.75 0.00 0.00 64.21 62.48 1ufg n SER 24 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ufg s GLU 25 N 5.42 3.59 -0.03 -1.46 2.02 -1.26 -4.38 118.70 122.60 1ufg s GLU 25 Ca 0.96 2.32 -0.03 0.00 0.02 0.00 0.00 54.97 58.24 1ufg s GLU 25 Cb -0.42 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.26 1ufg s GLU 25 CO 0.40 -0.86 0.05 0.45 0.02 0.00 0.00 175.26 175.32 1ufg n SER 26 N -0.38 -6.63 -1.70 -0.19 2.88 -1.26 -4.88 113.62 101.46 1ufg n SER 26 Ca 0.06 1.66 0.00 0.00 -1.33 0.00 0.00 58.87 59.26 1ufg n SER 26 Cb 0.43 -4.77 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 1ufg n SER 26 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ufg n ARG 27 N 1.87 -4.39 0.00 -1.46 0.63 -1.26 -5.04 116.66 107.02 1ufg n ARG 27 Ca -0.09 3.20 -0.03 0.00 -0.92 0.00 0.00 57.85 60.01 1ufg n ARG 27 Cb 0.14 -3.36 -0.01 0.00 0.45 0.00 0.00 32.46 29.69 1ufg n ARG 27 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1ufg n SER 28 N 1.33 0.76 -2.96 6.15 3.41 -1.26 -4.78 113.62 116.26 1ufg n SER 28 Ca 0.00 0.11 -0.01 0.00 -0.26 0.00 0.00 58.87 58.71 1ufg n SER 28 Cb 0.00 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.41 -6.07 -1.51 4.04 7.64 -1.26 -4.54 113.62 108.50 1ufg n SER 29 Ca -0.06 0.94 0.05 0.00 1.01 0.00 0.00 58.87 60.81 1ufg n SER 29 Cb 0.34 -2.96 -0.03 0.00 -1.01 0.00 0.00 64.21 60.55 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 1.62 -3.90 -1.01 1.43 3.72 -1.26 -4.14 117.46 113.92 1ufg n PHE 30 Ca -0.08 2.13 -0.39 0.00 -0.05 0.00 0.00 57.45 59.06 1ufg n PHE 30 Cb 0.29 -3.35 -0.05 0.00 -0.94 0.00 0.00 39.48 35.42 1ufg n PHE 30 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ufg n SER 31 N -3.11 2.67 -4.49 4.37 2.88 0.50 -4.77 113.62 111.67 1ufg n SER 31 Ca -0.03 -2.60 -0.45 0.00 -1.33 0.00 0.00 58.87 54.47 1ufg n SER 31 Cb 0.51 -1.04 -0.01 0.00 -0.75 0.00 0.00 64.21 62.91 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 6.63 0.72 -3.03 -1.46 6.02 -1.26 -3.89 117.38 121.12 1ufg n GLN 32 Ca 0.47 0.26 -0.16 0.00 -0.01 0.00 0.00 57.00 57.56 1ufg n GLN 32 Cb 0.36 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1ufg n GLN 32 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ufg n HIS 33 N -0.14 -2.03 -3.58 1.08 8.25 0.67 -4.95 115.22 114.52 1ufg n HIS 33 Ca 0.13 -2.56 -0.22 0.00 -0.26 0.00 0.00 57.72 54.81 1ufg n HIS 33 Cb 0.32 0.69 -0.01 0.00 1.12 0.00 0.00 29.99 32.11 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 0.03 3.91 -0.30 -1.41 0.00 -1.26 -1.08 121.76 121.65 1ufg s ALA 34 Ca 0.33 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 1ufg s ALA 34 Cb 0.12 -1.87 0.16 0.00 0.00 0.00 0.00 23.12 21.53 1ufg s ALA 34 CO -0.16 0.03 0.77 1.03 0.00 0.00 0.00 175.76 177.44 1ufg s ARG 35 N -4.19 0.46 0.13 0.00 3.00 0.10 -4.92 118.95 113.54 1ufg s ARG 35 Ca 0.40 1.01 -0.10 0.00 0.00 0.00 0.00 55.73 57.04 1ufg s ARG 35 Cb -0.09 0.60 -0.06 0.00 0.00 0.00 0.00 34.95 35.39 1ufg s ARG 35 CO 0.32 -0.29 0.46 0.99 0.00 0.00 0.00 175.30 176.78 1ufg s THR 36 N 2.79 5.02 -0.48 0.02 2.01 -1.26 -0.85 115.64 122.89 1ufg s THR 36 Ca 0.03 0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.56 1ufg s THR 36 Cb -0.11 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 68.93 1ufg s THR 36 CO -0.18 0.17 0.63 -0.44 -0.69 0.00 0.00 174.62 174.11 1ufg s SER 37 N -1.97 -0.86 0.00 3.53 0.01 0.53 -4.93 113.70 110.01 1ufg s SER 37 Ca 0.38 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.82 1ufg s SER 37 Cb -0.13 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.56 1ufg s SER 37 CO 0.20 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1ufg n GLY 38 N 3.19 -0.46 0.14 3.44 0.00 -1.25 -4.38 105.19 105.89 1ufg n GLY 38 Ca 0.19 -0.40 -0.19 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 0.56 -3.37 1.61 1.74 -1.26 -4.86 116.66 111.08 1ufg n ARG 39 Ca 0.00 0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 1ufg n ARG 39 Cb 0.00 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 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 -2.46 4.99 -0.02 1.55 1.01 -1.26 -1.00 120.40 123.21 1ufg s VAL 40 Ca -0.32 0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1ufg s VAL 40 Cb 0.09 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1ufg s VAL 40 CO 0.51 -0.20 0.01 0.00 0.00 0.00 0.00 175.10 175.42 1ufg s ALA 41 N -1.95 0.16 -0.87 5.51 0.00 0.90 -4.60 121.76 120.90 1ufg s ALA 41 Ca 0.45 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 1ufg s ALA 41 Cb -0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 23.12 22.63 1ufg s ALA 41 CO 0.26 -0.06 2.29 0.28 0.00 0.00 0.00 175.76 178.54 1ufg n VAL 42 N 3.83 0.00 -0.39 0.00 0.31 -1.26 -1.30 118.33 119.51 1ufg n VAL 42 Ca -0.23 -0.35 -0.10 0.00 -0.01 0.00 0.00 64.34 63.65 1ufg n VAL 42 Cb 0.53 -1.87 -0.09 0.00 -0.91 0.00 0.00 33.84 31.50 1ufg n VAL 42 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ufg n GLU 43 N 8.39 -0.41 -3.60 5.55 0.00 -0.78 -4.63 120.64 125.16 1ufg n GLU 43 Ca 0.45 1.41 -0.02 0.00 0.00 0.00 0.00 57.16 59.00 1ufg n GLU 43 Cb 0.43 -2.07 -0.06 0.00 0.00 0.00 0.00 31.44 29.74 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 -5.48 0.40 -0.26 5.31 2.56 -0.57 -4.97 118.70 115.70 1ufg s GLU 44 Ca -0.11 0.75 0.01 0.00 0.00 0.00 0.00 54.97 55.62 1ufg s GLU 44 Cb 0.10 0.17 0.05 0.00 2.00 0.00 0.00 34.13 36.45 1ufg s GLU 44 CO 0.58 -0.09 -0.09 0.08 -0.56 0.00 0.00 175.26 175.18 1ufg s VAL 45 N 1.61 2.46 -0.22 3.70 1.01 -1.26 0.14 120.40 127.84 1ufg s VAL 45 Ca -0.08 -1.41 -0.32 0.00 0.00 0.00 0.00 61.98 60.17 1ufg s VAL 45 Cb -0.04 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1ufg s VAL 45 CO -0.16 0.04 2.11 -0.67 0.00 0.00 0.00 175.10 176.43 1ufg n ASP 46 N 4.53 2.97 -0.16 3.32 -0.08 -0.87 -4.80 116.55 121.46 1ufg n ASP 46 Ca -0.15 0.50 0.15 0.00 -1.51 0.00 0.00 54.79 53.78 1ufg n ASP 46 Cb 0.44 -1.41 0.50 0.00 2.34 0.00 0.00 41.12 42.99 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 12.46 0.41 -0.16 -0.67 4.11 -1.93 0.36 114.58 129.17 1ufg h GLU 47 Ca -0.39 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.06 1ufg h GLU 47 Cb 1.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ufg h GLU 47 CO 0.98 0.27 0.16 0.93 0.07 0.00 0.00 179.01 181.42 1ufg h GLU 48 N 0.42 0.00 -0.99 1.06 5.08 -1.87 -3.41 114.58 114.87 1ufg h GLU 48 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1ufg h GLU 48 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ufg h GLU 48 CO -0.11 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.31 1ufg n GLY 49 N -1.42 0.71 0.13 -3.84 0.00 0.13 -3.43 105.19 97.47 1ufg n GLY 49 Ca 0.01 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.50 0.58 -3.73 1.61 5.02 -1.25 -1.81 118.16 118.08 1ufg n LYS 50 Ca 0.00 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.49 1ufg n LYS 50 Cb 0.33 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.52 -0.14 -0.25 2.13 -0.12 -1.26 0.17 117.98 115.99 1ufg s PHE 51 Ca -0.36 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 1ufg s PHE 51 Cb 0.12 0.13 0.04 0.00 -0.63 0.00 0.00 43.02 42.68 1ufg s PHE 51 CO 0.49 -0.54 -0.10 0.08 -0.05 0.00 0.00 175.22 175.11 1ufg s VAL 52 N -2.69 2.43 -0.18 -2.49 1.01 -0.24 -2.06 120.40 116.19 1ufg s VAL 52 Ca -0.04 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1ufg s VAL 52 Cb -0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1ufg s VAL 52 CO -0.04 0.11 0.35 -0.60 0.00 0.00 0.00 175.10 174.92 1ufg s ARG 53 N 1.21 4.23 -0.10 2.72 3.52 0.12 -0.26 118.95 130.39 1ufg s ARG 53 Ca -0.04 0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 1ufg s ARG 53 Cb -0.18 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 1ufg s ARG 53 CO -0.06 0.11 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.87 1ufg s LEU 54 N 0.85 1.79 0.10 -0.88 1.43 0.12 -1.51 118.68 120.59 1ufg s LEU 54 Ca 0.18 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1ufg s LEU 54 Cb -0.14 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1ufg s LEU 54 CO 0.06 0.05 -0.26 -0.60 0.23 0.00 0.00 176.35 175.83 1ufg s ARG 55 N 0.80 1.52 -0.01 1.70 3.52 -0.42 0.62 118.95 126.68 1ufg s ARG 55 Ca -0.10 -1.25 -0.14 0.00 -0.13 0.00 0.00 55.73 54.10 1ufg s ARG 55 Cb -0.16 -1.89 -0.06 0.00 -1.56 0.00 0.00 34.95 31.29 1ufg s ARG 55 CO 0.01 0.46 0.39 1.21 -0.81 0.00 0.00 175.30 176.56 1ufg s ASN 56 N -1.76 6.78 -0.13 -2.12 3.84 0.70 -0.07 114.94 122.18 1ufg s ASN 56 Ca 0.13 0.92 0.06 0.00 0.21 0.00 0.00 52.86 54.18 1ufg s ASN 56 Cb -0.10 -2.24 -0.12 0.00 -0.55 0.00 0.00 41.25 38.24 1ufg s ASN 56 CO 0.05 0.32 -0.05 0.29 -2.79 0.00 0.00 177.10 174.92 1ufg n LYS 57 N 1.88 1.22 -0.58 0.43 4.76 -0.17 -3.19 118.16 122.52 1ufg n LYS 57 Ca -0.14 0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.05 1ufg n LYS 57 Cb 0.52 -1.30 0.26 0.00 -1.84 0.00 0.00 35.03 32.67 1ufg n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ufg s SER 58 N -4.94 0.53 -0.02 4.39 0.15 -0.76 -4.71 113.70 108.33 1ufg s SER 58 Ca -0.13 1.26 0.19 0.00 0.70 0.00 0.00 55.95 57.97 1ufg s SER 58 Cb 0.04 -1.93 -0.27 0.00 -1.71 0.00 0.00 66.02 62.15 1ufg s SER 58 CO 0.41 -4.44 0.51 -0.46 1.20 0.00 0.00 173.24 170.46 1ufg n ASN 59 N -5.05 0.68 -4.65 5.45 6.94 -1.26 -3.49 115.26 113.87 1ufg n ASN 59 Ca 0.05 -0.23 -0.39 0.00 -0.02 0.00 0.00 54.58 54.00 1ufg n ASN 59 Cb 0.56 1.66 -0.07 0.00 -2.36 0.00 0.00 39.78 39.58 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 -3.19 4.15 -0.12 -3.83 2.02 -1.26 -4.53 118.70 111.94 1ufg s GLU 60 Ca -0.04 0.35 -0.39 0.00 0.02 0.00 0.00 54.97 54.91 1ufg s GLU 60 Cb 0.13 -3.58 -0.17 0.00 0.10 0.00 0.00 34.13 30.60 1ufg s GLU 60 CO 0.79 -0.19 1.49 -0.25 0.02 0.00 0.00 175.26 177.12 1ufg n ASP 61 N 4.95 1.68 -4.70 -0.19 8.00 -1.26 -4.50 116.55 120.53 1ufg n ASP 61 Ca -0.05 1.11 -0.38 0.00 0.71 0.00 0.00 54.79 56.18 1ufg n ASP 61 Cb 0.50 -1.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.82 4.31 -0.30 -1.24 2.00 0.34 -4.90 119.66 121.69 1ufg s GLN 62 Ca 0.93 0.50 -0.17 0.00 -2.00 0.00 0.00 55.36 54.61 1ufg s GLN 62 Cb -1.09 -3.47 -0.02 0.00 0.80 0.00 0.00 33.01 29.23 1ufg s GLN 62 CO 0.59 0.05 0.49 -1.12 -0.50 0.00 0.00 175.29 174.80 1ufg s SER 63 N 0.80 6.35 -0.54 6.67 0.01 -1.26 0.14 113.70 125.86 1ufg s SER 63 Ca 0.27 0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.77 1ufg s SER 63 Cb -0.15 -2.26 0.43 0.00 0.21 0.00 0.00 66.02 64.25 1ufg s SER 63 CO 0.11 -0.36 1.64 0.23 0.41 0.00 0.00 173.24 175.27 1ufg n MET 64 N 5.60 3.10 -1.47 12.44 0.00 0.26 -4.80 117.12 132.23 1ufg n MET 64 Ca -0.05 -3.77 -0.32 0.00 0.00 0.00 0.00 57.70 53.57 1ufg n MET 64 Cb 0.50 -2.28 -0.06 0.00 0.00 0.00 0.00 33.22 31.38 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 -0.74 4.29 0.00 3.03 0.00 -1.07 -3.47 105.19 107.24 1ufg n GLY 65 Ca 0.52 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.34 0.00 -4.13 1.61 5.03 -1.21 -4.44 115.26 114.45 1ufg n ASN 66 Ca 0.61 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.71 1ufg n ASN 66 Cb 0.44 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.28 1ufg n ASN 66 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1ufg n TRP 67 N 0.00 -2.04 -4.04 3.10 7.02 -1.23 -4.39 117.44 115.87 1ufg n TRP 67 Ca 0.00 0.34 -0.10 0.00 -1.02 0.00 0.00 57.50 56.72 1ufg n TRP 67 Cb 0.00 -1.49 -0.06 0.00 -2.42 0.00 0.00 31.31 27.34 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 -2.62 1.47 -0.15 -0.99 -0.21 0.21 0.73 119.66 118.10 1ufg s GLN 68 Ca 0.45 -1.32 -0.01 0.00 0.02 0.00 0.00 55.36 54.50 1ufg s GLN 68 Cb -0.05 0.43 0.04 0.00 1.00 0.00 0.00 33.01 34.43 1ufg s GLN 68 CO 0.69 -0.59 -0.05 0.42 -2.12 0.00 0.00 175.29 173.64 1ufg s ILE 69 N -4.04 1.02 -0.34 1.08 1.01 0.30 0.20 121.20 120.43 1ufg s ILE 69 Ca 0.26 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 1ufg s ILE 69 Cb 0.01 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1ufg s ILE 69 CO 0.09 0.19 0.54 -0.13 0.00 0.00 0.00 174.94 175.63 1ufg s ARG 70 N 1.68 3.69 -0.38 2.79 0.52 0.23 0.38 118.95 127.87 1ufg s ARG 70 Ca 0.02 -0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1ufg s ARG 70 Cb -0.14 -3.79 0.09 0.00 0.52 0.00 0.00 34.95 31.63 1ufg s ARG 70 CO -0.08 -0.62 0.15 0.50 0.02 0.00 0.00 175.30 175.27 1ufg s ARG 71 N 2.45 2.08 -0.16 3.54 6.06 0.84 0.17 118.95 133.93 1ufg s ARG 71 Ca 0.20 -1.68 -0.06 0.00 -2.50 0.00 0.00 55.73 51.70 1ufg s ARG 71 Cb -0.15 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.35 1ufg s ARG 71 CO 0.13 -0.95 0.03 -1.14 -2.50 0.00 0.00 175.30 170.87 1ufg s GLN 72 N 1.16 3.73 0.05 5.12 2.00 0.12 -1.89 119.66 129.94 1ufg s GLN 72 Ca 0.05 -0.39 0.04 0.00 -2.00 0.00 0.00 55.36 53.06 1ufg s GLN 72 Cb -0.22 -3.07 -0.02 0.00 0.80 0.00 0.00 33.01 30.50 1ufg s GLN 72 CO -0.03 0.36 -0.12 -0.80 -0.50 0.00 0.00 175.29 174.20 1ufg s ASN 73 N 0.10 1.35 0.61 6.67 0.01 -1.26 0.26 114.94 122.68 1ufg s ASN 73 Ca 0.03 -0.53 -0.19 0.00 -0.71 0.00 0.00 52.86 51.46 1ufg s ASN 73 Cb -0.13 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.47 1ufg s ASN 73 CO 0.01 -0.08 1.28 -0.83 -1.51 0.00 0.00 177.10 175.97 1ufg s GLY 74 N -1.46 2.84 -1.36 0.66 0.00 -0.84 -2.99 107.32 104.16 1ufg s GLY 74 Ca -0.04 1.18 -0.19 0.00 0.00 0.00 0.00 44.72 45.68 1ufg s GLY 74 CO 0.01 1.62 0.39 1.22 0.00 0.00 0.00 173.10 176.34 1ufg n ASP 75 N -1.61 -1.88 -3.52 1.64 9.92 -1.26 -4.91 116.55 114.93 1ufg n ASP 75 Ca 0.14 -1.28 -0.08 0.00 -0.53 0.00 0.00 54.79 53.05 1ufg n ASP 75 Cb 0.48 -1.72 -0.02 0.00 -0.64 0.00 0.00 41.12 39.21 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 -3.92 -0.32 0.48 -2.24 1.01 -1.16 -5.16 116.67 105.35 1ufg s ASP 76 Ca 0.27 0.01 -0.21 0.00 0.71 0.00 0.00 52.55 53.34 1ufg s ASP 76 Cb -0.15 0.33 -0.09 0.00 1.01 0.00 0.00 42.92 44.03 1ufg s ASP 76 CO 0.98 -0.54 1.04 -2.16 0.21 0.00 0.00 175.17 174.70 1ufg s PRO 77 N -2.91 3.84 0.03 8.23 0.04 -1.26 -4.62 135.00 138.35 1ufg s PRO 77 Ca 0.06 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 1ufg s PRO 77 Cb -0.01 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1ufg s PRO 77 CO -0.08 -0.40 0.73 -1.17 0.04 0.00 0.00 177.00 176.12 1ufg s LEU 78 N -3.39 4.44 0.15 -3.56 2.96 -1.26 -4.55 118.68 113.47 1ufg s LEU 78 Ca 0.66 1.38 0.09 0.00 -0.22 0.00 0.00 54.13 56.04 1ufg s LEU 78 Cb -0.17 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1ufg s LEU 78 CO 0.21 0.03 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.09 1ufg s MET 79 N -0.08 1.93 -0.37 1.98 -1.94 -0.79 -4.99 119.30 115.04 1ufg s MET 79 Ca 0.37 -1.24 0.01 0.00 -1.71 0.00 0.00 55.69 53.12 1ufg s MET 79 Cb -0.20 -2.13 0.14 0.00 2.01 0.00 0.00 34.83 34.65 1ufg s MET 79 CO 0.22 0.45 0.22 0.99 -0.01 0.00 0.00 175.02 176.89 1ufg s THR 80 N -1.46 0.35 -0.56 2.05 2.01 -1.25 -0.12 115.64 116.65 1ufg s THR 80 Ca 0.22 -1.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.07 1ufg s THR 80 Cb -0.10 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 1ufg s THR 80 CO 0.13 -0.98 1.63 -0.47 -0.69 0.00 0.00 174.62 174.24 1ufg s TYR 81 N 0.92 1.97 -0.29 4.92 6.14 0.16 -4.70 117.35 126.47 1ufg s TYR 81 Ca 0.19 0.57 -0.26 0.00 0.64 0.00 0.00 57.07 58.21 1ufg s TYR 81 Cb -0.22 -4.26 0.01 0.00 0.42 0.00 0.00 41.96 37.91 1ufg s TYR 81 CO 0.00 -2.25 0.91 0.50 0.64 0.00 0.00 175.55 175.35 1ufg s ARG 82 N 6.15 4.07 1.08 4.97 3.52 -1.26 0.11 118.95 137.59 1ufg s ARG 82 Ca 0.61 0.89 -0.12 0.00 -0.13 0.00 0.00 55.73 56.98 1ufg s ARG 82 Cb -0.13 -3.70 0.24 0.00 -1.56 0.00 0.00 34.95 29.79 1ufg s ARG 82 CO 0.24 -0.71 1.06 -0.06 -0.81 0.00 0.00 175.30 175.02 1ufg s PHE 83 N 3.17 1.59 0.50 5.12 0.08 0.23 -4.94 117.98 123.73 1ufg s PHE 83 Ca 0.38 1.25 -0.20 0.00 0.12 0.00 0.00 56.93 58.49 1ufg s PHE 83 Cb -0.14 -3.16 -0.08 0.00 -0.57 0.00 0.00 43.02 39.07 1ufg s PHE 83 CO 0.12 -3.44 1.04 -1.25 -0.10 0.00 0.00 175.22 171.58 1ufg s PRO 84 N -4.61 3.75 0.00 0.24 0.04 -1.26 -4.15 135.00 129.02 1ufg s PRO 84 Ca 0.67 1.33 0.16 0.00 0.04 0.00 0.00 61.00 63.21 1ufg s PRO 84 Cb -0.23 -2.09 0.98 0.00 0.04 0.00 0.00 34.50 33.20 1ufg s PRO 84 CO 0.62 -0.47 1.47 -0.35 0.04 0.00 0.00 177.00 178.31 1ufg n PRO 85 N -1.09 0.75 -2.37 0.56 -0.04 -1.26 -2.93 135.00 128.62 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 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.84 3.12 -4.66 0.54 4.01 -1.26 -4.54 118.16 114.54 1ufg n LYS 86 Ca 0.12 -4.18 -0.23 0.00 -0.51 0.00 0.00 58.31 53.51 1ufg n LYS 86 Cb 0.06 -2.10 -0.15 0.00 -0.51 0.00 0.00 35.03 32.32 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 -3.54 1.40 -0.19 2.13 5.36 -1.15 -5.02 117.98 116.97 1ufg s PHE 87 Ca 0.45 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 56.10 1ufg s PHE 87 Cb 0.40 -0.88 0.10 0.00 -0.34 0.00 0.00 43.02 42.30 1ufg s PHE 87 CO -0.07 -0.00 0.27 0.99 -1.46 0.00 0.00 175.22 174.94 1ufg s THR 88 N -0.48 -0.41 -0.75 0.12 2.01 -1.26 -0.58 115.64 114.29 1ufg s THR 88 Ca 0.05 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 1ufg s THR 88 Cb -0.06 -0.65 0.07 0.00 0.01 0.00 0.00 72.50 71.86 1ufg s THR 88 CO -0.00 -0.11 1.10 -0.22 -0.69 0.00 0.00 174.62 174.70 1ufg s LEU 89 N 2.40 4.14 1.09 4.42 2.96 0.37 -4.89 118.68 129.18 1ufg s LEU 89 Ca 0.07 -1.08 -0.19 0.00 -0.22 0.00 0.00 54.13 52.71 1ufg s LEU 89 Cb -0.15 -2.46 0.06 0.00 0.50 0.00 0.00 46.19 44.14 1ufg s LEU 89 CO -0.12 -1.48 -0.15 0.29 -1.32 0.00 0.00 176.35 173.58 1ufg n LYS 90 N 8.00 -1.29 -2.72 1.98 5.02 -1.26 -0.51 118.16 127.39 1ufg n LYS 90 Ca 0.05 -0.36 -0.41 0.00 -2.02 0.00 0.00 58.31 55.57 1ufg n LYS 90 Cb 0.47 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.22 3.25 0.00 7.82 0.00 -1.26 -2.95 121.76 126.40 1ufg s ALA 91 Ca 0.54 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1ufg s ALA 91 Cb -0.10 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ufg s ALA 91 CO 0.67 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1ufg n GLY 92 N 2.22 0.71 3.98 0.00 0.00 -1.19 -4.98 105.19 105.93 1ufg n GLY 92 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1ufg n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufg s GLN 93 N -0.22 1.75 0.06 1.61 1.11 -1.15 -4.78 119.66 118.04 1ufg s GLN 93 Ca 0.00 -0.93 -0.09 0.00 0.01 0.00 0.00 55.36 54.36 1ufg s GLN 93 Cb 0.00 -2.29 -0.00 0.00 -1.01 0.00 0.00 33.01 29.71 1ufg s GLN 93 CO 0.00 -1.42 0.18 0.54 0.01 0.00 0.00 175.29 174.60 1ufg s VAL 94 N -3.17 0.13 -0.01 1.09 0.11 -1.26 -0.21 120.40 117.08 1ufg s VAL 94 Ca 0.65 -1.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1ufg s VAL 94 Cb -0.06 -1.14 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1ufg s VAL 94 CO 0.44 -0.59 0.09 0.54 -3.33 0.00 0.00 175.10 172.25 1ufg s VAL 95 N -3.24 0.06 -0.09 2.04 0.11 0.20 -4.76 120.40 114.72 1ufg s VAL 95 Ca 0.00 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.57 1ufg s VAL 95 Cb 0.02 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1ufg s VAL 95 CO -0.08 -0.29 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.28 1ufg s THR 96 N -0.96 2.10 -0.74 5.04 2.01 -0.47 0.16 115.64 122.79 1ufg s THR 96 Ca -0.10 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 60.92 1ufg s THR 96 Cb -0.06 -1.79 0.18 0.00 0.01 0.00 0.00 72.50 70.84 1ufg s THR 96 CO 0.01 0.56 0.55 -0.63 -0.69 0.00 0.00 174.62 174.41 1ufg s ILE 97 N 0.22 3.17 0.97 1.82 1.09 0.64 0.19 121.20 129.30 1ufg s ILE 97 Ca -0.15 -4.20 -0.12 0.00 -1.10 0.00 0.00 60.65 55.09 1ufg s ILE 97 Cb -0.17 -3.06 0.17 0.00 -1.06 0.00 0.00 42.46 38.35 1ufg s ILE 97 CO 0.08 -1.02 1.09 0.26 -0.10 0.00 0.00 174.94 175.24 1ufg s TRP 98 N -1.43 1.91 -0.07 3.97 0.52 0.38 -1.08 118.94 123.13 1ufg s TRP 98 Ca 0.25 1.36 0.01 0.00 0.02 0.00 0.00 56.10 57.74 1ufg s TRP 98 Cb -0.05 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.06 1ufg s TRP 98 CO -0.16 -2.88 -0.09 0.00 0.02 0.00 0.00 176.95 173.85 1ufg s ALA 99 N -2.75 2.89 0.29 0.98 0.00 0.46 -0.06 121.76 123.57 1ufg s ALA 99 Ca 0.65 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1ufg s ALA 99 Cb -0.21 -1.19 0.82 0.00 0.00 0.00 0.00 23.12 22.54 1ufg s ALA 99 CO 0.59 0.53 1.42 0.45 0.00 0.00 0.00 175.76 178.75 1ufg n SER 100 N 2.40 -0.01 -0.10 0.00 2.88 -0.21 -0.19 113.62 118.39 1ufg n SER 100 Ca -0.18 1.53 -0.09 0.00 -1.33 0.00 0.00 58.87 58.81 1ufg n SER 100 Cb 0.53 -0.60 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.38 -1.50 0.46 0.00 -0.17 -3.41 103.07 97.06 1ufg h GLY 101 Ca 0.60 0.78 -0.51 0.00 0.00 0.00 0.00 47.33 48.20 1ufg h GLY 101 CO -0.82 -0.35 -0.22 0.00 0.00 0.00 0.00 176.54 175.15 1ufg n ALA 102 N -2.96 -2.07 -1.74 3.60 0.00 0.73 -4.88 120.51 113.19 1ufg n ALA 102 Ca -0.02 -0.74 -0.36 0.00 0.00 0.00 0.00 53.44 52.32 1ufg n ALA 102 Cb 0.21 -1.96 0.02 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 0.98 5.23 2.18 0.00 0.00 -1.26 -4.81 105.19 107.50 1ufg n GLY 103 Ca 0.08 -2.28 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 104 N -0.21 -1.34 -3.78 4.61 0.00 -1.26 -5.08 120.51 113.45 1ufg n ALA 104 Ca 0.53 -0.99 -0.23 0.00 0.00 0.00 0.00 53.44 52.74 1ufg n ALA 104 Cb 0.36 -0.06 -0.17 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.49 0.49 -0.22 0.00 2.01 -1.26 -5.09 115.64 109.08 1ufg s THR 105 Ca 0.43 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1ufg s THR 105 Cb -0.02 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 1ufg s THR 105 CO 0.31 0.28 2.19 1.57 -0.69 0.00 0.00 174.62 178.27 1ufg n HIS 106 N 5.05 1.96 -3.12 4.92 -0.00 -1.26 -4.61 115.22 118.16 1ufg n HIS 106 Ca -0.09 -0.07 -0.21 0.00 0.46 0.00 0.00 57.72 57.81 1ufg n HIS 106 Cb 0.50 -2.70 -0.05 0.00 -0.12 0.00 0.00 29.99 27.62 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 10.85 -0.27 -4.79 0.26 7.64 -1.12 -4.98 113.62 121.21 1ufg n SER 107 Ca 0.31 -2.81 -0.29 0.00 1.01 0.00 0.00 58.87 57.09 1ufg n SER 107 Cb 0.40 -0.25 0.13 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.96 1.32 0.14 1.43 0.04 0.22 0.13 135.00 137.33 1ufg s PRO 108 Ca 0.35 0.36 0.24 0.00 0.04 0.00 0.00 61.00 61.98 1ufg s PRO 108 Cb 0.19 -1.85 0.91 0.00 0.04 0.00 0.00 34.50 33.79 1ufg s PRO 108 CO -0.13 -2.09 1.73 -0.35 0.04 0.00 0.00 177.00 176.20 1ufg n PRO 109 N -3.70 0.14 0.00 0.56 -0.04 -1.26 -4.75 135.00 125.94 1ufg n PRO 109 Ca 0.07 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ufg n PRO 109 Cb 0.59 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.95 0.00 -2.13 0.52 -2.24 -1.17 -4.73 114.28 102.58 1ufg n THR 110 Ca 0.04 0.58 -0.37 0.00 -2.27 0.00 0.00 64.05 62.04 1ufg n THR 110 Cb 0.30 -1.55 0.01 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.06 5.70 0.02 3.42 1.01 0.36 -1.37 116.67 123.74 1ufg s ASP 111 Ca 0.00 2.37 -0.08 0.00 0.71 0.00 0.00 52.55 55.55 1ufg s ASP 111 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1ufg s ASP 111 CO 0.00 -1.25 0.15 -0.76 0.21 0.00 0.00 175.17 173.53 1ufg s LEU 112 N -3.52 1.51 -0.19 1.23 1.43 0.51 -0.61 118.68 119.04 1ufg s LEU 112 Ca 0.70 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1ufg s LEU 112 Cb -0.30 0.76 0.04 0.00 0.03 0.00 0.00 46.19 46.72 1ufg s LEU 112 CO 0.34 -0.44 -0.10 -0.69 0.23 0.00 0.00 176.35 175.69 1ufg s VAL 113 N -1.82 1.59 -0.84 -1.59 1.01 -1.26 0.14 120.40 117.63 1ufg s VAL 113 Ca -0.11 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 1ufg s VAL 113 Cb -0.05 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1ufg s VAL 113 CO -0.00 0.20 1.52 0.86 0.00 0.00 0.00 175.10 177.68 1ufg s TRP 114 N 1.43 2.20 -0.07 5.22 -0.00 0.91 -4.78 118.94 123.85 1ufg s TRP 114 Ca -0.00 -0.10 -0.24 0.00 -0.00 0.00 0.00 56.10 55.76 1ufg s TRP 114 Cb -0.16 -4.49 -0.29 0.00 -0.00 0.00 0.00 33.47 28.53 1ufg s TRP 114 CO -0.08 -2.02 0.89 0.87 -0.00 0.00 0.00 176.95 176.60 1ufg h LYS 115 N 10.88 0.22 -0.99 5.86 1.57 -1.96 -0.54 116.57 131.62 1ufg h LYS 115 Ca -0.06 -0.36 0.34 0.00 -1.87 0.00 0.00 60.65 58.70 1ufg h LYS 115 Cb 1.05 0.13 -0.18 0.00 0.08 0.00 0.00 32.23 33.31 1ufg h LYS 115 CO 1.31 1.15 0.27 0.00 -0.57 0.00 0.00 179.45 181.61 1ufg h ALA 116 N 0.09 1.63 -0.94 3.86 0.00 -2.01 -3.39 119.26 118.50 1ufg h ALA 116 Ca -0.09 0.31 -0.49 0.00 0.00 0.00 0.00 54.91 54.63 1ufg h ALA 116 Cb 1.42 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.69 1ufg h ALA 116 CO 0.11 -0.74 -0.17 -0.65 0.00 0.00 0.00 179.25 177.79 1ufg s GLN 117 N -5.78 2.42 0.00 0.00 -1.52 -1.24 -5.03 119.66 108.50 1ufg s GLN 117 Ca -0.11 -1.60 0.06 0.00 -1.95 0.00 0.00 55.36 51.75 1ufg s GLN 117 Cb 0.31 -2.58 -0.05 0.00 -0.22 0.00 0.00 33.01 30.47 1ufg s GLN 117 CO 0.78 -0.67 0.30 0.27 -0.25 0.00 0.00 175.29 175.72 1ufg n ASN 118 N -2.06 0.42 0.00 5.90 2.04 -1.26 -4.16 115.26 116.13 1ufg n ASN 118 Ca 0.11 -0.71 0.00 0.00 -0.44 0.00 0.00 54.58 53.54 1ufg n ASN 118 Cb 0.61 0.89 0.00 0.00 -2.53 0.00 0.00 39.78 38.75 1ufg n ASN 118 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 1ufg n THR 119 N -0.97 0.00 0.08 5.53 5.66 -1.26 0.54 114.28 123.87 1ufg n THR 119 Ca 0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.91 1ufg n THR 119 Cb 0.10 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.82 1ufg n THR 119 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 1ufg h TRP 120 N 0.00 0.30 0.00 1.09 4.06 -1.66 -3.49 115.95 116.25 1ufg h TRP 120 Ca 0.00 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1ufg h TRP 120 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1ufg h TRP 120 CO 0.00 1.05 0.00 0.41 -3.56 0.00 0.00 178.44 176.34 1ufg n GLY 121 N 1.08 3.70 0.00 1.49 0.00 -1.25 -4.94 105.19 105.27 1ufg n GLY 121 Ca -0.04 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 1.15 0.10 0.00 0.00 -1.26 -4.78 105.19 105.40 1ufg n GLY 123 Ca 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 -3.41 1.61 4.64 -1.95 -3.44 113.55 111.00 1ufg h SER 124 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1ufg h SER 124 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1ufg h SER 124 CO 0.00 0.65 -0.74 -0.94 -0.87 0.00 0.00 176.83 174.94 1ufg s SER 125 N -6.15 4.24 0.07 4.97 1.04 -1.26 0.15 113.70 116.76 1ufg s SER 125 Ca -0.00 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.85 1ufg s SER 125 Cb 0.08 -1.70 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 1ufg s SER 125 CO 0.79 -0.07 -0.08 -0.76 0.98 0.00 0.00 173.24 174.10 1ufg s LEU 126 N 1.41 2.36 -0.29 2.42 1.43 0.87 -1.99 118.68 124.90 1ufg s LEU 126 Ca 0.04 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1ufg s LEU 126 Cb -0.15 -0.19 0.18 0.00 0.03 0.00 0.00 46.19 46.07 1ufg s LEU 126 CO -0.04 -0.29 0.55 -0.60 0.23 0.00 0.00 176.35 176.20 1ufg s ARG 127 N -2.50 0.52 0.16 1.70 3.52 0.14 -1.00 118.95 121.50 1ufg s ARG 127 Ca 0.00 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1ufg s ARG 127 Cb -0.04 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 1ufg s ARG 127 CO -0.01 -0.84 0.32 0.99 -0.81 0.00 0.00 175.30 174.95 1ufg s THR 128 N 2.77 5.28 0.04 4.11 2.01 -1.02 0.13 115.64 128.95 1ufg s THR 128 Ca 0.14 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.45 1ufg s THR 128 Cb -0.13 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1ufg s THR 128 CO -0.23 -0.11 0.34 0.00 -0.69 0.00 0.00 174.62 173.93 1ufg s ALA 129 N -1.78 -0.81 -0.10 7.40 0.00 0.45 -0.91 121.76 126.01 1ufg s ALA 129 Ca 0.36 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.52 1ufg s ALA 129 Cb -0.11 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1ufg s ALA 129 CO 0.29 -0.41 -0.24 -1.17 0.00 0.00 0.00 175.76 174.23 1ufg s LEU 130 N -1.95 2.11 0.07 0.00 2.96 0.10 0.76 118.68 122.73 1ufg s LEU 130 Ca -0.06 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 1ufg s LEU 130 Cb -0.01 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1ufg s LEU 130 CO -0.02 0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.35 1ufg s ILE 131 N 0.31 2.67 0.19 6.68 -1.09 0.13 -0.29 121.20 129.80 1ufg s ILE 131 Ca -0.18 -1.34 -0.00 0.00 -2.23 0.00 0.00 60.65 56.90 1ufg s ILE 131 Cb -0.18 -2.15 0.04 0.00 -1.58 0.00 0.00 42.46 38.60 1ufg s ILE 131 CO 0.09 0.26 0.26 -0.46 -1.23 0.00 0.00 174.94 173.85 1ufg n ASN 132 N 1.34 0.35 -0.36 3.58 0.23 -0.64 0.66 115.26 120.42 1ufg n ASN 132 Ca -0.16 -1.29 0.27 0.00 -0.53 0.00 0.00 54.58 52.86 1ufg n ASN 132 Cb 0.52 -0.17 0.53 0.00 -2.08 0.00 0.00 39.78 38.59 1ufg n ASN 132 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1ufg h SER 133 N -0.15 0.43 -2.85 0.53 0.87 -1.89 -3.38 113.55 107.10 1ufg h SER 133 Ca -0.09 0.16 -0.49 0.00 -1.23 0.00 0.00 61.79 60.14 1ufg h SER 133 Cb 0.32 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1ufg h SER 133 CO 0.09 -0.10 -0.21 0.42 -0.53 0.00 0.00 176.83 176.50 1ufg s THR 134 N -5.53 5.11 -0.60 2.23 -4.23 -1.26 -4.77 115.64 106.60 1ufg s THR 134 Ca -0.09 -0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1ufg s THR 134 Cb 0.29 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 1ufg s THR 134 CO 0.80 -0.46 1.77 0.61 -0.54 0.00 0.00 174.62 176.81 1ufg n GLY 135 N -1.48 2.43 3.04 3.99 0.00 -1.26 -4.73 105.19 107.18 1ufg n GLY 135 Ca -0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 4.47 0.19 0.35 1.61 2.12 -1.26 -5.04 118.70 121.14 1ufg s GLU 136 Ca 0.38 0.37 -0.23 0.00 0.36 0.00 0.00 54.97 55.85 1ufg s GLU 136 Cb 0.09 -0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.36 1ufg s GLU 136 CO 0.05 -0.10 0.92 -2.00 -0.54 0.00 0.00 175.26 173.58 1ufg s GLU 137 N 0.68 4.39 -0.06 4.30 2.12 -1.26 -1.62 118.70 127.25 1ufg s GLU 137 Ca -0.05 1.17 0.02 0.00 0.36 0.00 0.00 54.97 56.48 1ufg s GLU 137 Cb -0.06 -2.55 -0.06 0.00 0.26 0.00 0.00 34.13 31.72 1ufg s GLU 137 CO -0.04 0.17 -0.03 1.33 -0.54 0.00 0.00 175.26 176.15 1ufg n VAL 138 N 0.07 0.39 -3.81 3.70 0.24 0.61 -4.92 118.33 114.60 1ufg n VAL 138 Ca 0.04 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1ufg n VAL 138 Cb 0.52 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 1ufg n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ufg s ALA 139 N -2.14 -0.41 0.05 2.33 0.00 -1.23 0.20 121.76 120.56 1ufg s ALA 139 Ca -0.07 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 1ufg s ALA 139 Cb 0.02 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1ufg s ALA 139 CO 0.19 -0.60 0.31 0.00 0.00 0.00 0.00 175.76 175.66 1ufg s MET 140 N -3.87 0.84 -0.40 0.00 0.23 -0.03 0.02 119.30 116.10 1ufg s MET 140 Ca 0.08 -0.55 0.02 0.00 -1.03 0.00 0.00 55.69 54.20 1ufg s MET 140 Cb 0.03 0.36 0.15 0.00 -1.53 0.00 0.00 34.83 33.85 1ufg s MET 140 CO -0.08 -0.28 0.28 0.50 -2.03 0.00 0.00 175.02 173.41 1ufg s ARG 141 N -2.76 0.84 0.44 3.16 3.52 -0.09 0.02 118.95 124.08 1ufg s ARG 141 Ca -0.03 -1.81 -0.22 0.00 -0.13 0.00 0.00 55.73 53.53 1ufg s ARG 141 Cb -0.00 -1.52 -0.09 0.00 -1.56 0.00 0.00 34.95 31.78 1ufg s ARG 141 CO -0.05 -1.29 1.05 0.21 -0.81 0.00 0.00 175.30 174.42 1ufg s LYS 142 N 0.47 3.98 -0.27 5.12 2.20 -0.24 -2.44 119.74 128.55 1ufg s LYS 142 Ca 0.25 1.46 -0.01 0.00 -0.36 0.00 0.00 55.97 57.31 1ufg s LYS 142 Cb -0.11 -2.34 0.14 0.00 -1.51 0.00 0.00 37.83 34.02 1ufg s LYS 142 CO -0.09 -0.30 0.34 -0.51 -0.36 0.00 0.00 175.35 174.44 1ufg s LEU 143 N -3.04 -0.50 -0.19 5.43 1.43 -0.17 -0.24 118.68 121.41 1ufg s LEU 143 Ca 0.62 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1ufg s LEU 143 Cb -0.20 0.84 -0.00 0.00 0.03 0.00 0.00 46.19 46.86 1ufg s LEU 143 CO 0.25 -0.35 -0.09 -0.69 0.23 0.00 0.00 176.35 175.70 1ufg s VAL 144 N 2.46 3.06 0.31 -1.59 1.01 -1.25 -0.09 120.40 124.31 1ufg s VAL 144 Ca 0.10 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 1ufg s VAL 144 Cb -0.14 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 1ufg s VAL 144 CO -0.25 0.47 0.96 -0.60 0.00 0.00 0.00 175.10 175.68 1ufg s ARG 145 N 1.16 4.62 0.29 2.72 3.52 0.39 0.19 118.95 131.84 1ufg s ARG 145 Ca 0.02 1.42 -0.08 0.00 -0.13 0.00 0.00 55.73 56.95 1ufg s ARG 145 Cb -0.14 -2.93 -0.06 0.00 -1.56 0.00 0.00 34.95 30.26 1ufg s ARG 145 CO -0.03 0.30 0.59 -1.12 -0.81 0.00 0.00 175.30 174.24 1ufg s SER 146 N -1.45 6.53 1.30 -2.12 0.01 -1.26 -4.86 113.70 111.84 1ufg s SER 146 Ca 0.48 0.87 -0.19 0.00 1.31 0.00 0.00 55.95 58.42 1ufg s SER 146 Cb -0.22 -2.21 0.30 0.00 0.21 0.00 0.00 66.02 64.11 1ufg s SER 146 CO 0.27 -0.19 0.75 0.61 0.41 0.00 0.00 173.24 175.09 1ufg n GLY 147 N -0.71 -3.07 3.56 3.44 0.00 -1.26 -4.81 105.19 102.35 1ufg n GLY 147 Ca -0.00 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.47 3.10 -0.12 1.61 0.04 -1.26 -4.96 135.00 128.94 1ufg s PRO 148 Ca 0.62 -0.75 -0.06 0.00 0.04 0.00 0.00 61.00 60.86 1ufg s PRO 148 Cb -0.15 -5.22 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 1ufg s PRO 148 CO 0.57 -2.78 0.10 -1.54 0.04 0.00 0.00 177.00 173.39 1ufg s SER 149 N 6.42 6.06 0.46 6.66 1.04 -1.26 -5.06 113.70 128.02 1ufg s SER 149 Ca 0.58 0.36 -0.22 0.00 0.48 0.00 0.00 55.95 57.15 1ufg s SER 149 Cb -0.03 -1.91 -0.10 0.00 0.10 0.00 0.00 66.02 64.07 1ufg s SER 149 CO -0.05 0.38 0.78 -1.20 0.98 0.00 0.00 173.24 174.13 1ufg n SER 150 N 2.15 0.15 0.00 7.02 7.64 -1.26 -5.23 113.62 124.08 1ufg n SER 150 Ca -0.19 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1ufg n SER 150 Cb 0.54 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1ufg n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64