#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufg n SER 2 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.19 113.62 112.79 1ufg n SER 2 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1ufg n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ufg n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ufg s SER 3 N 0.00 -0.15 0.00 6.43 0.01 -1.26 -5.19 113.70 113.55 1ufg s SER 3 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1ufg s SER 3 Cb 0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1ufg s SER 3 CO 0.00 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1ufg n GLY 4 N -0.37 3.12 0.00 3.44 0.00 -1.26 -5.18 105.19 104.94 1ufg n GLY 4 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ufg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufg n SER 5 N 0.00 0.00 -3.65 1.61 2.88 -1.26 -5.19 113.62 108.01 1ufg n SER 5 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1ufg n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ufg n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufg s SER 6 N 0.00 -0.01 0.00 -3.46 0.15 -1.26 -5.18 113.70 103.94 1ufg s SER 6 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1ufg s SER 6 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1ufg s SER 6 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1ufg n GLY 7 N -0.59 2.92 3.58 9.45 0.00 -1.26 -5.19 105.19 114.10 1ufg n GLY 7 Ca -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.94 0.44 -0.12 1.61 -1.52 -1.26 -5.18 119.66 112.68 1ufg s GLN 8 Ca 0.00 -0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.05 1ufg s GLN 8 Cb 0.00 0.20 0.12 0.00 -0.22 0.00 0.00 33.01 33.11 1ufg s GLN 8 CO 0.00 -0.17 0.95 0.45 -0.25 0.00 0.00 175.29 176.27 1ufg s SER 9 N -1.77 -0.40 -0.03 5.90 0.15 -1.26 -5.19 113.70 111.12 1ufg s SER 9 Ca 0.06 0.36 -0.31 0.00 0.70 0.00 0.00 55.95 56.76 1ufg s SER 9 Cb -0.01 0.34 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 1ufg s SER 9 CO -0.04 -0.42 1.24 -1.58 1.20 0.00 0.00 173.24 173.64 1ufg s GLN 10 N -1.48 0.46 0.00 5.44 0.74 -1.26 -5.19 119.66 118.37 1ufg s GLN 10 Ca -0.01 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.15 1ufg s GLN 10 Cb -0.00 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.27 1ufg s GLN 10 CO 0.01 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 1ufg n GLY 11 N -0.42 3.44 0.00 2.59 0.00 -1.26 -5.19 105.19 104.34 1ufg n GLY 11 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.19 4.36 0.00 -0.02 0.00 -1.26 -5.18 105.19 101.90 1ufg n GLY 12 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.84 2.76 3.65 -0.02 0.00 -1.26 -5.18 105.19 103.31 1ufg n GLY 13 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -0.28 -0.19 1.61 0.15 -1.26 -5.18 113.70 108.55 1ufg s SER 14 Ca 0.00 0.47 -0.31 0.00 0.70 0.00 0.00 55.95 56.81 1ufg s SER 14 Cb 0.00 0.98 0.15 0.00 -1.71 0.00 0.00 66.02 65.44 1ufg s SER 14 CO 0.00 -0.08 1.14 0.54 1.20 0.00 0.00 173.24 176.04 1ufg s VAL 15 N 0.97 0.00 -0.06 4.45 0.11 -1.26 -5.19 120.40 119.42 1ufg s VAL 15 Ca -0.06 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.69 1ufg s VAL 15 Cb -0.03 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.93 1ufg s VAL 15 CO -0.12 0.00 1.05 0.28 -3.33 0.00 0.00 175.10 172.98 1ufg s THR 16 N -1.54 0.00 -0.30 5.04 -1.32 -1.26 -5.16 115.64 111.10 1ufg s THR 16 Ca 0.04 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1ufg s THR 16 Cb -0.01 -1.19 0.17 0.00 -1.51 0.00 0.00 72.50 69.96 1ufg s THR 16 CO -0.03 0.00 0.87 -1.59 -2.21 0.00 0.00 174.62 171.65 1ufg s LYS 17 N -2.82 0.37 -0.30 7.08 -2.85 -1.26 -5.14 119.74 114.83 1ufg s LYS 17 Ca 0.08 0.82 -0.04 0.00 -1.00 0.00 0.00 55.97 55.83 1ufg s LYS 17 Cb -0.01 0.48 0.19 0.00 -2.06 0.00 0.00 37.83 36.43 1ufg s LYS 17 CO -0.06 -0.25 0.71 0.21 0.10 0.00 0.00 175.35 176.06 1ufg s LYS 18 N 2.73 0.48 -0.06 1.78 2.20 -1.26 -5.07 119.74 120.53 1ufg s LYS 18 Ca 0.02 0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 56.43 1ufg s LYS 18 Cb -0.10 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1ufg s LYS 18 CO -0.17 -0.51 -0.10 -2.13 -0.36 0.00 0.00 175.35 172.07 1ufg n ARG 19 N 5.44 0.18 -3.06 4.03 0.00 -1.26 -5.00 116.66 116.99 1ufg n ARG 19 Ca -0.03 0.17 0.02 0.00 -0.00 0.00 0.00 57.85 58.01 1ufg n ARG 19 Cb 0.52 -0.92 -0.00 0.00 0.00 0.00 0.00 32.46 32.06 1ufg n ARG 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ufg s LYS 20 N -1.60 0.52 -0.30 -0.14 2.20 -1.26 -5.14 119.74 114.02 1ufg s LYS 20 Ca -0.09 -0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 55.32 1ufg s LYS 20 Cb 0.01 0.09 0.19 0.00 -1.51 0.00 0.00 37.83 36.62 1ufg s LYS 20 CO 0.13 -0.79 1.18 -0.51 -0.36 0.00 0.00 175.35 174.99 1ufg s LEU 21 N 2.13 -0.20 0.36 5.43 1.43 -1.26 -5.09 118.68 121.49 1ufg s LEU 21 Ca 0.16 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1ufg s LEU 21 Cb -0.02 1.29 0.00 0.00 0.03 0.00 0.00 46.19 47.48 1ufg s LEU 21 CO -0.14 -0.05 0.00 1.21 0.23 0.00 0.00 176.35 177.60 1ufg n GLU 22 N 3.48 0.00 -3.61 1.70 4.07 -1.26 -5.11 120.64 119.91 1ufg n GLU 22 Ca -0.16 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.92 1ufg n GLU 22 Cb 0.56 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.93 1ufg n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1ufg s SER 23 N -3.59 -0.10 0.00 4.31 1.04 -1.26 -5.08 113.70 109.02 1ufg s SER 23 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1ufg s SER 23 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1ufg s SER 23 CO 0.00 -0.25 0.00 -0.24 0.98 0.00 0.00 173.24 173.73 1ufg n SER 24 N -0.27 0.01 0.00 7.02 2.88 -1.26 -5.03 113.62 116.97 1ufg n SER 24 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1ufg n SER 24 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1ufg n SER 24 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ufg n GLU 25 N -2.92 0.00 -2.37 -1.46 1.02 -1.26 -4.74 120.64 108.92 1ufg n GLU 25 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1ufg n GLU 25 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.82 1ufg n GLU 25 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ufg s SER 26 N -4.00 5.96 -0.44 1.62 0.01 -1.26 -5.02 113.70 110.57 1ufg s SER 26 Ca 0.00 2.09 0.02 0.00 1.31 0.00 0.00 55.95 59.37 1ufg s SER 26 Cb 0.00 -2.57 0.13 0.00 0.21 0.00 0.00 66.02 63.79 1ufg s SER 26 CO 0.00 -1.05 0.23 -0.13 0.41 0.00 0.00 173.24 172.70 1ufg s ARG 27 N -3.26 1.35 -0.04 12.44 3.00 -1.26 -4.96 118.95 126.22 1ufg s ARG 27 Ca 0.71 -2.03 -0.02 0.00 0.00 0.00 0.00 55.73 54.39 1ufg s ARG 27 Cb -0.21 -2.47 0.00 0.00 0.00 0.00 0.00 34.95 32.27 1ufg s ARG 27 CO 0.24 -1.14 0.04 0.45 0.00 0.00 0.00 175.30 174.90 1ufg n SER 28 N 3.59 -6.57 -3.37 0.23 2.88 -1.26 -4.97 113.62 104.14 1ufg n SER 28 Ca 0.07 0.42 -0.21 0.00 -1.33 0.00 0.00 58.87 57.82 1ufg n SER 28 Cb 0.35 -1.77 -0.09 0.00 -0.75 0.00 0.00 64.21 61.95 1ufg n SER 28 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ufg s SER 29 N -1.06 1.55 0.57 -3.46 0.01 -1.26 -5.10 113.70 104.95 1ufg s SER 29 Ca 0.02 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.36 1ufg s SER 29 Cb -0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1ufg s SER 29 CO 0.09 -0.25 0.00 0.49 0.41 0.00 0.00 173.24 173.98 1ufg n PHE 30 N 3.97 -4.10 -0.90 2.43 3.72 -1.26 -4.16 117.46 117.16 1ufg n PHE 30 Ca 0.14 2.23 -0.35 0.00 -0.05 0.00 0.00 57.45 59.41 1ufg n PHE 30 Cb 0.44 -3.46 -0.05 0.00 -0.94 0.00 0.00 39.48 35.47 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 -2.79 2.77 -4.32 4.37 2.88 0.57 -4.75 113.62 112.36 1ufg n SER 31 Ca -0.01 -2.53 -0.39 0.00 -1.33 0.00 0.00 58.87 54.62 1ufg n SER 31 Cb 0.49 -1.00 0.02 0.00 -0.75 0.00 0.00 64.21 62.97 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 6.29 0.16 -2.87 -1.46 6.02 -1.26 -3.90 117.38 120.36 1ufg n GLN 32 Ca 0.45 0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 57.40 1ufg n GLN 32 Cb 0.31 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 -1.58 -2.94 -2.98 1.08 8.25 0.15 -4.93 115.22 112.26 1ufg n HIS 33 Ca 0.09 -1.98 -0.26 0.00 -0.26 0.00 0.00 57.72 55.32 1ufg n HIS 33 Cb 0.47 1.18 -0.00 0.00 1.12 0.00 0.00 29.99 32.76 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 0.48 3.55 -0.30 -1.41 0.00 -1.26 -1.14 121.76 121.68 1ufg s ALA 34 Ca 0.32 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1ufg s ALA 34 Cb 0.11 -2.36 0.19 0.00 0.00 0.00 0.00 23.12 21.07 1ufg s ALA 34 CO -0.15 -0.21 0.78 1.03 0.00 0.00 0.00 175.76 177.20 1ufg s ARG 35 N -4.55 0.40 0.24 0.00 0.52 0.19 -4.93 118.95 110.81 1ufg s ARG 35 Ca 0.44 0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 55.98 1ufg s ARG 35 Cb -0.10 0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.53 1ufg s ARG 35 CO 0.41 -0.65 0.66 0.99 0.02 0.00 0.00 175.30 176.73 1ufg s THR 36 N 2.89 4.72 -0.48 0.02 2.01 -1.26 -0.82 115.64 122.72 1ufg s THR 36 Ca 0.15 0.95 0.06 0.00 0.31 0.00 0.00 61.69 63.17 1ufg s THR 36 Cb -0.09 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 68.90 1ufg s THR 36 CO -0.22 0.04 0.64 -0.44 -0.69 0.00 0.00 174.62 173.95 1ufg s SER 37 N -1.98 -0.88 0.00 3.53 0.01 0.53 -4.93 113.70 109.97 1ufg s SER 37 Ca 0.46 -1.81 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1ufg s SER 37 Cb -0.13 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1ufg s SER 37 CO 0.19 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1ufg n GLY 38 N 3.19 -0.53 0.10 3.44 0.00 -1.25 -4.39 105.19 105.76 1ufg n GLY 38 Ca 0.19 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 0.82 -3.51 1.61 1.74 -1.26 -4.87 116.66 111.19 1ufg n ARG 39 Ca 0.00 0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.89 1ufg n ARG 39 Cb 0.00 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.41 5.13 -0.07 1.55 1.01 -1.26 -0.09 120.40 124.25 1ufg s VAL 40 Ca -0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1ufg s VAL 40 Cb 0.06 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1ufg s VAL 40 CO 0.56 -0.36 0.17 0.00 0.00 0.00 0.00 175.10 175.47 1ufg s ALA 41 N -2.10 -0.41 -0.96 5.51 0.00 0.10 -4.58 121.76 119.32 1ufg s ALA 41 Ca 0.40 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 1ufg s ALA 41 Cb -0.10 -0.34 -0.11 0.00 0.00 0.00 0.00 23.12 22.57 1ufg s ALA 41 CO 0.32 -0.10 2.09 0.08 0.00 0.00 0.00 175.76 178.15 1ufg s VAL 42 N 0.38 3.28 0.07 0.00 1.01 -1.26 -0.95 120.40 122.93 1ufg s VAL 42 Ca -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1ufg s VAL 42 Cb -0.04 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ufg s VAL 42 CO -0.02 -0.56 1.13 1.21 0.00 0.00 0.00 175.10 176.86 1ufg n GLU 43 N 8.61 -0.19 -3.64 2.72 0.00 -0.70 -4.66 120.64 122.78 1ufg n GLU 43 Ca 0.43 1.12 -0.08 0.00 0.00 0.00 0.00 57.16 58.63 1ufg n GLU 43 Cb 0.46 -1.65 -0.07 0.00 0.00 0.00 0.00 31.44 30.18 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 -4.21 0.66 -0.19 5.31 2.56 -0.30 -4.98 118.70 117.54 1ufg s GLU 44 Ca -0.05 1.01 0.01 0.00 0.00 0.00 0.00 54.97 55.94 1ufg s GLU 44 Cb 0.05 0.20 0.03 0.00 2.00 0.00 0.00 34.13 36.41 1ufg s GLU 44 CO 0.27 -0.12 -0.14 0.08 -0.56 0.00 0.00 175.26 174.79 1ufg s VAL 45 N 1.17 1.86 -0.17 3.70 1.01 -1.26 0.21 120.40 126.92 1ufg s VAL 45 Ca -0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 1ufg s VAL 45 Cb -0.05 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 1ufg s VAL 45 CO -0.13 0.31 2.16 -0.67 0.00 0.00 0.00 175.10 176.77 1ufg n ASP 46 N 4.63 3.38 0.23 3.32 2.03 -0.98 -4.81 116.55 124.36 1ufg n ASP 46 Ca -0.17 0.40 0.11 0.00 0.52 0.00 0.00 54.79 55.65 1ufg n ASP 46 Cb 0.48 -1.52 0.70 0.00 -0.72 0.00 0.00 41.12 40.05 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 13.69 0.00 0.00 -0.67 4.11 -1.94 0.14 114.58 129.91 1ufg h GLU 47 Ca -0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.00 1ufg h GLU 47 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ufg h GLU 47 CO 0.96 0.00 -0.04 0.93 0.07 0.00 0.00 179.01 180.93 1ufg h GLU 48 N 0.00 0.00 -2.62 1.06 4.39 -1.87 -3.44 114.58 112.11 1ufg h GLU 48 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ufg h GLU 48 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1ufg h GLU 48 CO -0.00 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 1ufg n GLY 49 N -0.79 -0.07 1.36 -3.84 0.00 0.49 -4.55 105.19 97.79 1ufg n GLY 49 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.91 0.00 -3.80 1.61 5.02 -1.26 -3.55 118.16 115.28 1ufg n LYS 50 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1ufg n LYS 50 Cb 0.44 -0.32 -0.08 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.01 -0.21 2.13 -0.12 -1.26 0.81 117.98 117.32 1ufg s PHE 51 Ca 0.00 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1ufg s PHE 51 Cb 0.00 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1ufg s PHE 51 CO 0.00 -0.49 -0.16 0.08 -0.05 0.00 0.00 175.22 174.60 1ufg s VAL 52 N -2.77 2.13 -0.26 -2.49 1.01 -0.12 -2.32 120.40 115.59 1ufg s VAL 52 Ca -0.03 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 1ufg s VAL 52 Cb -0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1ufg s VAL 52 CO -0.05 0.32 0.24 -0.13 0.00 0.00 0.00 175.10 175.48 1ufg s ARG 53 N 1.22 4.03 -0.11 2.72 0.52 0.13 0.22 118.95 127.69 1ufg s ARG 53 Ca -0.00 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 1ufg s ARG 53 Cb -0.16 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1ufg s ARG 53 CO -0.10 -0.11 -0.22 -0.51 0.02 0.00 0.00 175.30 174.38 1ufg s LEU 54 N 1.55 2.03 0.10 2.53 1.43 0.10 -1.15 118.68 125.27 1ufg s LEU 54 Ca 0.10 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.76 1ufg s LEU 54 Cb -0.15 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1ufg s LEU 54 CO 0.08 0.12 -0.24 -0.60 0.23 0.00 0.00 176.35 175.95 1ufg s ARG 55 N 0.50 1.34 0.20 1.70 3.52 -0.13 0.39 118.95 126.47 1ufg s ARG 55 Ca -0.16 -1.20 -0.08 0.00 -0.13 0.00 0.00 55.73 54.17 1ufg s ARG 55 Cb -0.17 -1.67 -0.06 0.00 -1.56 0.00 0.00 34.95 31.48 1ufg s ARG 55 CO 0.06 0.40 0.48 1.21 -0.81 0.00 0.00 175.30 176.64 1ufg s ASN 56 N -1.80 6.57 -0.07 -2.12 3.84 0.38 0.00 114.94 121.74 1ufg s ASN 56 Ca 0.10 0.78 0.03 0.00 0.21 0.00 0.00 52.86 53.99 1ufg s ASN 56 Cb -0.10 -2.17 -0.06 0.00 -0.55 0.00 0.00 41.25 38.37 1ufg s ASN 56 CO 0.04 -0.03 -0.02 0.29 -2.79 0.00 0.00 177.10 174.59 1ufg n LYS 57 N -0.09 1.74 -0.69 0.43 4.76 0.87 -3.70 118.16 121.48 1ufg n LYS 57 Ca -0.01 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 1ufg n LYS 57 Cb 0.52 -1.15 0.22 0.00 -1.84 0.00 0.00 35.03 32.78 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 -4.18 1.63 -0.00 4.39 1.04 -0.82 -4.69 113.70 111.07 1ufg s SER 58 Ca -0.06 1.58 0.20 0.00 0.48 0.00 0.00 55.95 58.15 1ufg s SER 58 Cb 0.02 -2.28 -0.23 0.00 0.10 0.00 0.00 66.02 63.63 1ufg s SER 58 CO 0.21 -3.81 0.78 -0.46 0.98 0.00 0.00 173.24 170.94 1ufg n ASN 59 N -4.66 0.84 -4.59 7.02 6.94 -1.26 -3.17 115.26 116.37 1ufg n ASN 59 Ca 0.05 -0.81 -0.39 0.00 -0.02 0.00 0.00 54.58 53.41 1ufg n ASN 59 Cb 0.54 1.15 -0.09 0.00 -2.36 0.00 0.00 39.78 39.02 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 3.94 -0.29 -3.83 2.02 -1.26 -4.56 118.70 111.76 1ufg s GLU 60 Ca 0.05 -0.08 -0.44 0.00 0.02 0.00 0.00 54.97 54.52 1ufg s GLU 60 Cb 0.15 -3.68 -0.20 0.00 0.10 0.00 0.00 34.13 30.50 1ufg s GLU 60 CO 0.82 -0.30 1.42 -0.40 0.02 0.00 0.00 175.26 176.82 1ufg n ASP 61 N 5.30 0.90 -4.80 -0.19 5.68 -1.26 -4.47 116.55 117.71 1ufg n ASP 61 Ca -0.09 1.17 -0.38 0.00 -0.50 0.00 0.00 54.79 54.98 1ufg n ASP 61 Cb 0.51 -0.92 -0.06 0.00 -1.14 0.00 0.00 41.12 39.50 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1ufg s GLN 62 N 1.93 4.16 -0.32 0.11 2.00 0.54 -4.87 119.66 123.20 1ufg s GLN 62 Ca 0.99 0.63 -0.10 0.00 -2.00 0.00 0.00 55.36 54.88 1ufg s GLN 62 Cb -1.37 -3.26 -0.00 0.00 0.80 0.00 0.00 33.01 29.17 1ufg s GLN 62 CO 0.71 0.58 0.18 -1.12 -0.50 0.00 0.00 175.29 175.13 1ufg s SER 63 N -0.84 5.66 -0.64 6.67 0.01 -1.26 0.13 113.70 123.43 1ufg s SER 63 Ca 0.28 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ufg s SER 63 Cb -0.18 -2.03 0.41 0.00 0.21 0.00 0.00 66.02 64.43 1ufg s SER 63 CO 0.17 -0.23 1.77 0.23 0.41 0.00 0.00 173.24 175.59 1ufg n MET 64 N 5.01 2.96 -1.54 12.44 0.00 0.10 -4.80 117.12 131.29 1ufg n MET 64 Ca -0.13 -3.69 -0.30 0.00 0.00 0.00 0.00 57.70 53.58 1ufg n MET 64 Cb 0.49 -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 -0.69 4.39 0.00 3.03 0.00 -1.05 -3.66 105.19 107.21 1ufg n GLY 65 Ca 0.53 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 1.82 0.00 -4.15 1.61 5.03 -1.25 -4.42 115.26 113.90 1ufg n ASN 66 Ca 0.57 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.66 1ufg n ASN 66 Cb 0.47 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.32 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 -2.05 -4.00 3.10 7.02 -1.24 -4.47 117.44 115.79 1ufg n TRP 67 Ca 0.00 0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.70 1ufg n TRP 67 Cb 0.00 -1.50 -0.06 0.00 -2.42 0.00 0.00 31.31 27.32 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 -2.70 1.39 -0.16 -0.99 -0.21 0.22 -0.47 119.66 116.75 1ufg s GLN 68 Ca 0.46 -1.26 -0.01 0.00 0.02 0.00 0.00 55.36 54.57 1ufg s GLN 68 Cb -0.06 0.42 0.04 0.00 1.00 0.00 0.00 33.01 34.42 1ufg s GLN 68 CO 0.69 -0.55 -0.03 0.42 -2.12 0.00 0.00 175.29 173.70 1ufg s ILE 69 N -4.02 0.94 -0.13 1.08 1.01 0.11 0.04 121.20 120.24 1ufg s ILE 69 Ca 0.23 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1ufg s ILE 69 Cb 0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1ufg s ILE 69 CO 0.07 0.09 0.53 -0.13 0.00 0.00 0.00 174.94 175.49 1ufg s ARG 70 N 1.70 4.32 -0.20 2.79 0.52 0.42 0.22 118.95 128.71 1ufg s ARG 70 Ca 0.01 0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 55.71 1ufg s ARG 70 Cb -0.15 -3.47 0.06 0.00 0.52 0.00 0.00 34.95 31.91 1ufg s ARG 70 CO -0.07 0.07 0.03 0.50 0.02 0.00 0.00 175.30 175.85 1ufg s ARG 71 N 0.90 0.72 -0.12 3.54 6.06 0.67 0.19 118.95 130.91 1ufg s ARG 71 Ca 0.28 -0.50 0.02 0.00 -2.50 0.00 0.00 55.73 53.03 1ufg s ARG 71 Cb -0.16 -2.13 -0.01 0.00 0.06 0.00 0.00 34.95 32.72 1ufg s ARG 71 CO 0.11 -0.66 -0.19 -1.14 -2.50 0.00 0.00 175.30 170.92 1ufg s GLN 72 N 1.82 3.19 0.09 5.12 -0.44 0.12 -1.76 119.66 127.79 1ufg s GLN 72 Ca -0.01 -0.80 0.08 0.00 -2.50 0.00 0.00 55.36 52.14 1ufg s GLN 72 Cb -0.17 -2.45 -0.03 0.00 -1.64 0.00 0.00 33.01 28.72 1ufg s GLN 72 CO -0.09 0.18 -0.21 -0.80 0.50 0.00 0.00 175.29 174.88 1ufg s ASN 73 N 0.38 2.50 0.21 6.67 -0.87 -1.26 0.19 114.94 122.76 1ufg s ASN 73 Ca -0.15 -0.65 -0.31 0.00 -1.57 0.00 0.00 52.86 50.18 1ufg s ASN 73 Cb -0.17 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.25 40.76 1ufg s ASN 73 CO 0.07 0.08 1.10 0.61 -2.57 0.00 0.00 177.10 176.39 1ufg n GLY 74 N 1.26 -0.07 5.00 0.66 0.00 -1.16 -2.71 105.19 108.17 1ufg n GLY 74 Ca -0.19 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 1.77 0.00 -4.16 1.61 8.00 -1.26 -4.87 116.55 117.64 1ufg n ASP 75 Ca 0.13 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.27 1ufg n ASP 75 Cb 0.27 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.43 1ufg n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ufg n ASP 76 N 1.97 -4.52 -3.52 -2.24 8.00 -1.10 -4.95 116.55 110.19 1ufg n ASP 76 Ca 0.00 0.31 -0.25 0.00 0.71 0.00 0.00 54.79 55.55 1ufg n ASP 76 Cb 0.00 -0.90 0.20 0.00 -0.02 0.00 0.00 41.12 40.39 1ufg n ASP 76 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ufg n PRO 77 N 1.24 -1.97 -4.02 -0.24 -0.04 -1.26 -4.44 135.00 124.27 1ufg n PRO 77 Ca 0.02 -1.63 -0.34 0.00 -0.04 0.00 0.00 63.50 61.50 1ufg n PRO 77 Cb 0.54 -1.29 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1ufg n PRO 77 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ufg s LEU 78 N 0.00 3.81 0.08 1.53 2.96 -1.26 -4.07 118.68 121.73 1ufg s LEU 78 Ca 0.63 0.09 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1ufg s LEU 78 Cb -0.04 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1ufg s LEU 78 CO 0.46 0.19 -0.25 0.00 -1.32 0.00 0.00 176.35 175.43 1ufg s MET 79 N 0.30 1.72 -0.31 1.98 0.23 -0.72 -5.00 119.30 117.49 1ufg s MET 79 Ca 0.03 -1.17 -0.01 0.00 -1.03 0.00 0.00 55.69 53.51 1ufg s MET 79 Cb -0.12 -2.00 0.10 0.00 -1.53 0.00 0.00 34.83 31.28 1ufg s MET 79 CO 0.00 0.49 0.11 0.99 -2.03 0.00 0.00 175.02 174.58 1ufg s THR 80 N -0.93 0.79 -0.73 3.16 2.01 -1.26 -0.24 115.64 118.44 1ufg s THR 80 Ca 0.13 -1.36 -0.27 0.00 0.31 0.00 0.00 61.69 60.50 1ufg s THR 80 Cb -0.10 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1ufg s THR 80 CO 0.04 -0.69 1.43 -0.47 -0.69 0.00 0.00 174.62 174.24 1ufg s TYR 81 N 1.63 2.15 -0.21 4.92 6.14 0.13 -4.75 117.35 127.36 1ufg s TYR 81 Ca 0.10 0.09 -0.26 0.00 0.64 0.00 0.00 57.07 57.65 1ufg s TYR 81 Cb -0.17 -4.51 -0.01 0.00 0.42 0.00 0.00 41.96 37.70 1ufg s TYR 81 CO -0.26 -2.11 0.86 0.50 0.64 0.00 0.00 175.55 175.18 1ufg s ARG 82 N 6.00 4.24 0.91 4.97 3.52 -1.26 0.08 118.95 137.40 1ufg s ARG 82 Ca 0.43 1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 56.96 1ufg s ARG 82 Cb -0.08 -3.62 0.14 0.00 -1.56 0.00 0.00 34.95 29.82 1ufg s ARG 82 CO 0.14 -0.46 1.09 -0.06 -0.81 0.00 0.00 175.30 175.20 1ufg s PHE 83 N 2.63 2.22 0.38 5.12 0.08 0.38 -4.97 117.98 123.83 1ufg s PHE 83 Ca 0.38 1.29 -0.25 0.00 0.12 0.00 0.00 56.93 58.47 1ufg s PHE 83 Cb -0.16 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 39.04 1ufg s PHE 83 CO 0.09 -2.49 1.06 -1.25 -0.10 0.00 0.00 175.22 172.53 1ufg s PRO 84 N -4.89 4.23 0.00 0.24 0.04 -1.26 -4.13 135.00 129.23 1ufg s PRO 84 Ca 0.64 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1ufg s PRO 84 Cb -0.19 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1ufg s PRO 84 CO 0.57 -0.09 1.10 -0.35 0.04 0.00 0.00 177.00 178.27 1ufg n PRO 85 N 0.11 0.75 -0.97 0.56 -0.04 -1.26 -2.20 135.00 131.94 1ufg n PRO 85 Ca 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1ufg n PRO 85 Cb 0.49 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1ufg n PRO 85 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ufg n LYS 86 N 1.09 0.00 -4.88 0.54 0.00 -1.26 -4.81 118.16 108.84 1ufg n LYS 86 Ca 0.00 -1.07 -0.33 0.00 -0.00 0.00 0.00 58.31 56.91 1ufg n LYS 86 Cb 0.37 0.14 -0.13 0.00 -0.00 0.00 0.00 35.03 35.42 1ufg n LYS 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1ufg s PHE 87 N 0.00 2.71 -0.08 5.58 5.36 -0.94 -5.00 117.98 125.61 1ufg s PHE 87 Ca 0.09 -0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 55.81 1ufg s PHE 87 Cb 0.10 -1.65 0.04 0.00 -0.34 0.00 0.00 43.02 41.17 1ufg s PHE 87 CO -0.05 0.13 0.06 0.99 -1.46 0.00 0.00 175.22 174.90 1ufg s THR 88 N -0.59 -0.03 -0.68 0.12 2.01 -1.26 0.01 115.64 115.22 1ufg s THR 88 Ca 0.09 0.20 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 1ufg s THR 88 Cb -0.11 -0.34 0.08 0.00 0.01 0.00 0.00 72.50 72.14 1ufg s THR 88 CO 0.01 0.05 0.93 -0.22 -0.69 0.00 0.00 174.62 174.70 1ufg s LEU 89 N 2.13 4.67 1.06 4.42 2.96 0.35 -4.90 118.68 129.37 1ufg s LEU 89 Ca 0.04 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 52.55 1ufg s LEU 89 Cb -0.13 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.19 1ufg s LEU 89 CO -0.05 -1.33 -0.23 0.29 -1.32 0.00 0.00 176.35 173.71 1ufg n LYS 90 N 7.29 -1.02 -2.59 1.98 5.02 -1.26 -0.34 118.16 127.25 1ufg n LYS 90 Ca -0.02 -0.28 -0.41 0.00 -2.02 0.00 0.00 58.31 55.58 1ufg n LYS 90 Cb 0.45 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.21 3.35 0.00 7.82 0.00 -1.26 -2.74 121.76 126.72 1ufg s ALA 91 Ca 0.52 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1ufg s ALA 91 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1ufg s ALA 91 CO 0.67 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1ufg n GLY 92 N 1.86 0.42 3.97 0.00 0.00 -1.19 -4.96 105.19 105.28 1ufg n GLY 92 Ca 0.01 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 -0.64 2.03 0.06 1.61 1.11 -1.11 -4.79 119.66 117.92 1ufg s GLN 93 Ca 0.00 -0.77 -0.05 0.00 0.01 0.00 0.00 55.36 54.56 1ufg s GLN 93 Cb 0.00 -2.32 -0.02 0.00 -1.01 0.00 0.00 33.01 29.66 1ufg s GLN 93 CO 0.00 -1.21 0.08 0.54 0.01 0.00 0.00 175.29 174.71 1ufg s VAL 94 N -3.08 0.16 -0.07 1.09 0.11 -1.26 -0.47 120.40 116.89 1ufg s VAL 94 Ca 0.62 -1.35 -0.06 0.00 -2.93 0.00 0.00 61.98 58.26 1ufg s VAL 94 Cb -0.08 -1.21 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1ufg s VAL 94 CO 0.43 -0.75 0.18 0.54 -3.33 0.00 0.00 175.10 172.17 1ufg s VAL 95 N -3.37 0.00 -0.11 2.04 0.11 0.16 -4.64 120.40 114.59 1ufg s VAL 95 Ca 0.02 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1ufg s VAL 95 Cb 0.03 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1ufg s VAL 95 CO -0.08 -0.02 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.66 1ufg s THR 96 N 0.03 3.11 -0.70 5.04 2.01 0.96 0.02 115.64 126.12 1ufg s THR 96 Ca -0.01 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1ufg s THR 96 Cb -0.02 -2.29 0.17 0.00 0.01 0.00 0.00 72.50 70.37 1ufg s THR 96 CO 0.00 0.54 0.50 -0.63 -0.69 0.00 0.00 174.62 174.34 1ufg s ILE 97 N 0.11 3.25 0.87 1.82 1.09 0.13 0.20 121.20 128.67 1ufg s ILE 97 Ca -0.06 -3.83 -0.11 0.00 -1.10 0.00 0.00 60.65 55.55 1ufg s ILE 97 Cb -0.15 -3.12 0.11 0.00 -1.06 0.00 0.00 42.46 38.25 1ufg s ILE 97 CO 0.04 -0.96 1.09 0.26 -0.10 0.00 0.00 174.94 175.27 1ufg s TRP 98 N -1.02 2.41 -0.10 3.97 0.52 0.13 -0.95 118.94 123.90 1ufg s TRP 98 Ca 0.23 1.28 -0.01 0.00 0.02 0.00 0.00 56.10 57.62 1ufg s TRP 98 Cb -0.12 -3.14 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 1ufg s TRP 98 CO -0.11 -2.24 -0.04 0.00 0.02 0.00 0.00 176.95 174.58 1ufg s ALA 99 N -2.96 3.05 0.52 0.98 0.00 0.24 0.29 121.76 123.89 1ufg s ALA 99 Ca 0.63 -0.85 0.45 0.00 0.00 0.00 0.00 51.96 52.19 1ufg s ALA 99 Cb -0.17 -1.38 1.65 0.00 0.00 0.00 0.00 23.12 23.22 1ufg s ALA 99 CO 0.56 0.47 1.54 0.45 0.00 0.00 0.00 175.76 178.79 1ufg n SER 100 N 2.60 0.06 -3.54 0.00 2.88 -0.38 -0.10 113.62 115.15 1ufg n SER 100 Ca -0.18 1.09 -0.40 0.00 -1.33 0.00 0.00 58.87 58.05 1ufg n SER 100 Cb 0.53 -0.54 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.80 5.82 1.48 0.46 0.00 0.45 -4.18 105.19 107.42 1ufg n GLY 101 Ca 0.43 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.43 2.26 0.00 4.61 0.00 0.86 -4.75 120.51 123.92 1ufg n ALA 102 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ufg n ALA 102 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.97 1.23 0.17 0.00 0.00 -1.26 -5.07 105.19 101.23 1ufg n GLY 103 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ufg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n ALA 104 N -1.00 -0.21 -3.72 4.61 0.00 -1.26 -5.05 120.51 113.87 1ufg n ALA 104 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 1ufg n ALA 104 Cb 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.27 1ufg n ALA 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ufg s THR 105 N -1.08 0.16 -0.72 0.00 2.01 -1.26 -5.07 115.64 109.68 1ufg s THR 105 Ca 0.03 0.22 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 1ufg s THR 105 Cb -0.00 -0.33 -0.14 0.00 0.01 0.00 0.00 72.50 72.03 1ufg s THR 105 CO 0.03 0.20 2.41 1.57 -0.69 0.00 0.00 174.62 178.14 1ufg n HIS 106 N 4.93 1.13 -3.28 4.92 -0.00 -1.26 -4.44 115.22 117.22 1ufg n HIS 106 Ca -0.11 0.04 -0.25 0.00 0.46 0.00 0.00 57.72 57.86 1ufg n HIS 106 Cb 0.50 -2.46 -0.07 0.00 -0.12 0.00 0.00 29.99 27.84 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 16.55 2.29 -4.79 0.26 7.64 -0.55 -4.95 113.62 130.06 1ufg n SER 107 Ca 0.46 -3.15 -0.29 0.00 1.01 0.00 0.00 58.87 56.90 1ufg n SER 107 Cb 0.43 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 63.11 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 -2.06 1.20 0.05 1.43 0.04 0.18 0.96 135.00 136.80 1ufg s PRO 108 Ca 0.39 0.31 0.22 0.00 0.04 0.00 0.00 61.00 61.97 1ufg s PRO 108 Cb 0.18 -1.84 0.92 0.00 0.04 0.00 0.00 34.50 33.80 1ufg s PRO 108 CO -0.06 -2.16 1.71 -0.35 0.04 0.00 0.00 177.00 176.17 1ufg n PRO 109 N -3.75 0.05 0.00 0.56 -0.04 -1.26 -4.76 135.00 125.80 1ufg n PRO 109 Ca 0.07 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1ufg n PRO 109 Cb 0.59 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ufg n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ufg n THR 110 N -1.66 0.00 -2.40 0.52 -2.24 -1.17 -4.58 114.28 102.75 1ufg n THR 110 Ca 0.05 0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 61.90 1ufg n THR 110 Cb 0.27 -1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 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 -1.98 6.88 0.14 3.42 1.11 0.27 -0.02 116.67 126.48 1ufg s ASP 111 Ca 0.00 2.28 -0.00 0.00 0.18 0.00 0.00 52.55 55.01 1ufg s ASP 111 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1ufg s ASP 111 CO 0.00 -0.42 0.05 -0.76 1.18 0.00 0.00 175.17 175.22 1ufg s LEU 112 N -2.07 1.82 -0.06 1.23 1.43 0.54 0.51 118.68 122.08 1ufg s LEU 112 Ca 0.52 -1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1ufg s LEU 112 Cb -0.30 0.23 0.03 0.00 0.03 0.00 0.00 46.19 46.17 1ufg s LEU 112 CO 0.38 -0.70 -0.02 -0.69 0.23 0.00 0.00 176.35 175.56 1ufg s VAL 113 N -3.97 0.44 -0.65 -1.59 1.01 -1.26 0.17 120.40 114.56 1ufg s VAL 113 Ca 0.25 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 1ufg s VAL 113 Cb 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.96 1ufg s VAL 113 CO 0.03 0.25 1.03 0.86 0.00 0.00 0.00 175.10 177.26 1ufg s TRP 114 N 1.58 2.62 0.03 5.22 -0.11 0.15 -4.84 118.94 123.58 1ufg s TRP 114 Ca -0.01 -0.31 -0.15 0.00 1.22 0.00 0.00 56.10 56.85 1ufg s TRP 114 Cb -0.13 -4.32 -0.35 0.00 -1.50 0.00 0.00 33.47 27.17 1ufg s TRP 114 CO -0.04 -1.67 1.01 0.87 -4.62 0.00 0.00 176.95 172.51 1ufg h LYS 115 N 9.61 0.54 -0.84 5.86 6.56 -1.96 -1.00 116.57 135.34 1ufg h LYS 115 Ca -0.28 -0.91 0.21 0.00 -1.06 0.00 0.00 60.65 58.61 1ufg h LYS 115 Cb 1.07 0.34 -0.05 0.00 -0.57 0.00 0.00 32.23 33.01 1ufg h LYS 115 CO 1.18 1.43 0.58 0.00 -2.06 0.00 0.00 179.45 180.58 1ufg h ALA 116 N 0.18 2.43 -1.67 3.86 0.00 -2.00 -3.42 119.26 118.64 1ufg h ALA 116 Ca -0.25 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.03 1ufg h ALA 116 Cb 2.15 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.82 1ufg h ALA 116 CO 0.27 -0.68 -0.60 -0.65 0.00 0.00 0.00 179.25 177.59 1ufg s GLN 117 N -5.24 1.97 -0.04 0.00 -1.52 -1.21 -5.05 119.66 108.57 1ufg s GLN 117 Ca -0.07 -2.08 0.06 0.00 -1.95 0.00 0.00 55.36 51.32 1ufg s GLN 117 Cb 0.22 -1.67 -0.08 0.00 -0.22 0.00 0.00 33.01 31.26 1ufg s GLN 117 CO 0.77 -0.04 0.06 0.09 -0.25 0.00 0.00 175.29 175.92 1ufg n ASN 118 N -0.98 3.52 -3.70 5.90 3.02 -1.26 -3.45 115.26 118.32 1ufg n ASN 118 Ca -0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.36 1ufg n ASN 118 Cb 0.67 0.86 -0.09 0.00 -0.61 0.00 0.00 39.78 40.61 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ufg s THR 119 N -2.24 0.03 -0.34 3.41 -1.32 -1.26 0.17 115.64 114.08 1ufg s THR 119 Ca -0.03 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 60.48 1ufg s THR 119 Cb 0.03 -0.68 0.25 0.00 -1.51 0.00 0.00 72.50 70.58 1ufg s THR 119 CO 0.25 -0.12 1.73 -0.50 -2.21 0.00 0.00 174.62 173.78 1ufg h TRP 120 N 4.32 0.00 0.00 9.09 4.06 -1.85 -3.48 115.95 128.09 1ufg h TRP 120 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1ufg h TRP 120 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1ufg h TRP 120 CO 0.45 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.74 1ufg n GLY 121 N -0.38 2.48 3.83 1.49 0.00 -1.26 -4.88 105.19 106.46 1ufg n GLY 121 Ca 0.01 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 1ufg n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufg n GLY 123 N -0.54 0.08 5.00 0.00 0.00 -1.26 -4.78 105.19 103.68 1ufg n GLY 123 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ufg n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ufg n SER 124 N 0.00 0.00 -4.74 1.61 7.64 -1.26 -4.75 113.62 112.13 1ufg n SER 124 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1ufg n SER 124 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1ufg n SER 124 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ufg s SER 125 N 0.00 7.18 0.04 6.43 1.04 -1.26 -2.95 113.70 124.19 1ufg s SER 125 Ca 0.00 1.42 -0.06 0.00 0.48 0.00 0.00 55.95 57.78 1ufg s SER 125 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 1ufg s SER 125 CO 0.00 -0.03 0.12 -0.76 0.98 0.00 0.00 173.24 173.55 1ufg s LEU 126 N 0.19 1.70 -0.29 2.42 1.43 0.13 -2.99 118.68 121.27 1ufg s LEU 126 Ca 0.39 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1ufg s LEU 126 Cb -0.20 0.71 0.18 0.00 0.03 0.00 0.00 46.19 46.91 1ufg s LEU 126 CO 0.22 -0.55 0.50 -0.60 0.23 0.00 0.00 176.35 176.16 1ufg s ARG 127 N -2.81 0.49 0.34 1.70 3.52 0.13 -1.47 118.95 120.85 1ufg s ARG 127 Ca -0.03 0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.98 1ufg s ARG 127 Cb 0.00 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 1ufg s ARG 127 CO -0.05 -1.02 0.50 0.99 -0.81 0.00 0.00 175.30 174.90 1ufg s THR 128 N 2.69 4.39 -0.06 4.11 2.01 -0.87 0.13 115.64 128.04 1ufg s THR 128 Ca 0.10 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1ufg s THR 128 Cb -0.11 -3.56 0.10 0.00 0.01 0.00 0.00 72.50 68.94 1ufg s THR 128 CO -0.28 -0.26 0.82 0.00 -0.69 0.00 0.00 174.62 174.21 1ufg s ALA 129 N -2.23 -1.82 -0.11 7.40 0.00 0.50 -1.74 121.76 123.76 1ufg s ALA 129 Ca 0.43 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.71 1ufg s ALA 129 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1ufg s ALA 129 CO 0.33 -0.44 -0.20 -1.17 0.00 0.00 0.00 175.76 174.28 1ufg s LEU 130 N -1.52 2.32 0.06 0.00 2.96 0.38 0.16 118.68 123.04 1ufg s LEU 130 Ca -0.04 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1ufg s LEU 130 Cb -0.00 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1ufg s LEU 130 CO 0.02 0.17 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.40 1ufg s ILE 131 N 0.29 2.76 0.13 6.68 -1.09 0.11 -0.31 121.20 129.76 1ufg s ILE 131 Ca -0.15 -1.29 0.00 0.00 -2.23 0.00 0.00 60.65 56.98 1ufg s ILE 131 Cb -0.17 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.55 1ufg s ILE 131 CO 0.07 0.27 0.17 -0.46 -1.23 0.00 0.00 174.94 173.77 1ufg n ASN 132 N 1.35 0.24 -0.32 3.58 0.23 -0.59 0.72 115.26 120.47 1ufg n ASN 132 Ca -0.16 -1.20 0.20 0.00 -0.53 0.00 0.00 54.58 52.89 1ufg n ASN 132 Cb 0.52 -0.11 0.41 0.00 -2.08 0.00 0.00 39.78 38.52 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 -0.10 0.31 -3.09 0.53 0.87 -1.90 -3.39 113.55 106.79 1ufg h SER 133 Ca -0.06 0.20 -0.49 0.00 -1.23 0.00 0.00 61.79 60.21 1ufg h SER 133 Cb 0.21 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ufg h SER 133 CO 0.06 -0.15 -0.10 0.42 -0.53 0.00 0.00 176.83 176.54 1ufg s THR 134 N -5.76 5.03 -0.59 2.23 -4.23 -1.26 -4.81 115.64 106.26 1ufg s THR 134 Ca -0.11 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.13 1ufg s THR 134 Cb 0.29 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 1ufg s THR 134 CO 0.78 -0.60 1.75 0.61 -0.54 0.00 0.00 174.62 176.63 1ufg n GLY 135 N -1.77 2.45 2.95 3.99 0.00 -1.26 -4.73 105.19 106.82 1ufg n GLY 135 Ca -0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 4.36 0.11 0.30 1.61 2.12 -1.26 -5.04 118.70 120.89 1ufg s GLU 136 Ca 0.35 0.24 -0.22 0.00 0.36 0.00 0.00 54.97 55.70 1ufg s GLU 136 Cb 0.09 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.34 1ufg s GLU 136 CO 0.03 -0.08 0.83 -2.00 -0.54 0.00 0.00 175.26 173.50 1ufg s GLU 137 N 0.53 4.34 -0.08 4.30 2.12 -1.26 -1.54 118.70 127.11 1ufg s GLU 137 Ca -0.04 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.36 1ufg s GLU 137 Cb -0.05 -2.71 -0.07 0.00 0.26 0.00 0.00 34.13 31.56 1ufg s GLU 137 CO -0.02 0.27 -0.03 1.33 -0.54 0.00 0.00 175.26 176.27 1ufg n VAL 138 N 0.36 0.49 -3.94 3.70 0.24 0.58 -4.92 118.33 114.84 1ufg n VAL 138 Ca 0.01 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 1ufg n VAL 138 Cb 0.51 -0.82 -0.09 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.17 0.01 -0.02 2.33 0.00 -1.23 0.20 121.76 120.87 1ufg s ALA 139 Ca -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1ufg s ALA 139 Cb 0.03 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1ufg s ALA 139 CO 0.24 -0.40 0.09 0.00 0.00 0.00 0.00 175.76 175.69 1ufg s MET 140 N -3.36 0.23 -0.51 0.00 0.23 0.00 -0.47 119.30 115.42 1ufg s MET 140 Ca 0.01 -0.09 0.04 0.00 -1.03 0.00 0.00 55.69 54.62 1ufg s MET 140 Cb 0.03 0.10 0.16 0.00 -1.53 0.00 0.00 34.83 33.59 1ufg s MET 140 CO -0.08 -0.04 0.37 0.50 -2.03 0.00 0.00 175.02 173.73 1ufg s ARG 141 N -0.50 1.50 0.40 3.16 3.52 -0.71 0.55 118.95 126.87 1ufg s ARG 141 Ca -0.06 -2.48 -0.23 0.00 -0.13 0.00 0.00 55.73 52.84 1ufg s ARG 141 Cb -0.04 -2.28 -0.10 0.00 -1.56 0.00 0.00 34.95 30.97 1ufg s ARG 141 CO 0.00 -1.30 0.97 0.21 -0.81 0.00 0.00 175.30 174.38 1ufg s LYS 142 N -0.35 4.29 -0.19 5.12 2.20 -0.30 -2.05 119.74 128.46 1ufg s LYS 142 Ca 0.26 1.26 -0.05 0.00 -0.36 0.00 0.00 55.97 57.09 1ufg s LYS 142 Cb -0.06 -2.42 0.09 0.00 -1.51 0.00 0.00 37.83 33.94 1ufg s LYS 142 CO -0.14 0.01 0.35 -0.51 -0.36 0.00 0.00 175.35 174.70 1ufg s LEU 143 N -2.78 -0.51 -0.13 5.43 1.02 -0.54 0.31 118.68 121.48 1ufg s LEU 143 Ca 0.58 0.60 0.02 0.00 0.02 0.00 0.00 54.13 55.35 1ufg s LEU 143 Cb -0.15 1.04 0.01 0.00 0.02 0.00 0.00 46.19 47.12 1ufg s LEU 143 CO 0.19 -0.26 -0.19 -0.69 0.02 0.00 0.00 176.35 175.42 1ufg s VAL 144 N 2.52 1.82 0.43 -1.59 1.01 -1.25 0.20 120.40 123.54 1ufg s VAL 144 Ca 0.04 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1ufg s VAL 144 Cb -0.13 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 1ufg s VAL 144 CO -0.12 0.50 1.00 -0.60 0.00 0.00 0.00 175.10 175.88 1ufg s ARG 145 N 0.97 4.12 -0.23 2.72 3.52 -1.15 0.21 118.95 129.10 1ufg s ARG 145 Ca -0.05 1.31 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 1ufg s ARG 145 Cb -0.15 -2.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.99 1ufg s ARG 145 CO -0.03 -0.15 -0.14 -1.12 -0.81 0.00 0.00 175.30 173.05 1ufg s SER 146 N -1.92 4.02 0.15 -2.12 0.01 -1.26 -4.83 113.70 107.75 1ufg s SER 146 Ca 0.61 -1.14 -0.23 0.00 1.31 0.00 0.00 55.95 56.50 1ufg s SER 146 Cb -0.15 -1.53 0.07 0.00 0.21 0.00 0.00 66.02 64.62 1ufg s SER 146 CO 0.20 -0.13 0.62 -0.83 0.41 0.00 0.00 173.24 173.51 1ufg s GLY 147 N 1.17 -0.60 -0.08 3.44 0.00 -1.26 -5.00 107.32 104.99 1ufg s GLY 147 Ca -0.04 0.51 -0.24 0.00 0.00 0.00 0.00 44.72 44.95 1ufg s GLY 147 CO -0.08 0.17 0.89 -0.56 0.00 0.00 0.00 173.10 173.52 1ufg h PRO 148 N 2.00 -0.07 -5.02 2.90 0.13 -2.07 -3.49 132.00 126.38 1ufg h PRO 148 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ufg h PRO 148 Cb 1.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ufg h PRO 148 CO 0.37 0.55 -0.74 0.45 -0.23 0.00 0.00 178.00 178.40 1ufg n SER 149 N -4.79 -7.55 -4.39 1.44 2.88 -1.26 -5.01 113.62 94.93 1ufg n SER 149 Ca -0.08 1.01 -0.33 0.00 -1.33 0.00 0.00 58.87 58.13 1ufg n SER 149 Cb 0.32 -5.04 -0.14 0.00 -0.75 0.00 0.00 64.21 58.60 1ufg n SER 149 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ufg s SER 150 N -1.89 4.21 0.00 -3.46 1.04 -1.26 -5.33 113.70 107.01 1ufg s SER 150 Ca 0.09 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ufg s SER 150 Cb -0.03 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1ufg s SER 150 CO 0.72 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.70