#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 -0.19 -0.30 1.61 1.04 -1.26 -5.16 113.70 109.45 1ufg s SER 2 Ca 0.00 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 55.91 1ufg s SER 2 Cb 0.00 0.52 0.18 0.00 0.10 0.00 0.00 66.02 66.82 1ufg s SER 2 CO 0.00 -0.96 0.94 -0.55 0.98 0.00 0.00 173.24 173.65 1ufg s SER 3 N -2.93 -0.69 0.01 7.02 0.15 -1.26 -5.17 113.70 110.82 1ufg s SER 3 Ca 0.12 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 1ufg s SER 3 Cb -0.02 1.56 0.01 0.00 -1.71 0.00 0.00 66.02 65.86 1ufg s SER 3 CO 0.03 -0.13 0.24 -0.83 1.20 0.00 0.00 173.24 173.75 1ufg s GLY 4 N 2.93 -0.06 0.08 9.45 0.00 -1.26 -5.17 107.32 113.29 1ufg s GLY 4 Ca 0.07 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.57 1ufg s GLY 4 CO -0.15 -0.14 1.15 -1.35 0.00 0.00 0.00 173.10 172.62 1ufg s SER 5 N -1.59 -0.02 0.27 1.64 1.04 -1.26 -5.19 113.70 108.58 1ufg s SER 5 Ca -0.11 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 1ufg s SER 5 Cb -0.04 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1ufg s SER 5 CO 0.01 -0.64 0.37 -0.55 0.98 0.00 0.00 173.24 173.41 1ufg s SER 6 N -3.42 0.39 -0.08 7.02 0.15 -1.26 -5.16 113.70 111.34 1ufg s SER 6 Ca 0.22 -1.27 -0.01 0.00 0.70 0.00 0.00 55.95 55.58 1ufg s SER 6 Cb -0.01 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1ufg s SER 6 CO 0.01 -1.10 -0.01 -0.83 1.20 0.00 0.00 173.24 172.52 1ufg s GLY 7 N -3.14 0.51 0.20 9.45 0.00 -1.26 -5.14 107.32 107.93 1ufg s GLY 7 Ca 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1ufg s GLY 7 CO 0.14 1.11 0.28 -1.06 0.00 0.00 0.00 173.10 173.57 1ufg n GLN 8 N 5.13 0.63 -4.14 2.90 1.13 -1.26 -5.13 117.38 116.64 1ufg n GLN 8 Ca -0.08 -0.89 -0.16 0.00 -1.94 0.00 0.00 57.00 53.93 1ufg n GLN 8 Cb 0.50 -0.14 -0.12 0.00 0.11 0.00 0.00 30.24 30.59 1ufg n GLN 8 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1ufg s SER 9 N -2.17 1.34 0.30 1.08 1.04 -1.26 -5.16 113.70 108.87 1ufg s SER 9 Ca 0.19 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 56.07 1ufg s SER 9 Cb -0.01 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1ufg s SER 9 CO 0.13 -0.12 0.31 -1.10 0.98 0.00 0.00 173.24 173.44 1ufg s GLN 10 N -1.62 1.66 0.00 4.02 -1.52 -1.26 -5.17 119.66 115.77 1ufg s GLN 10 Ca -0.05 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 51.55 1ufg s GLN 10 Cb -0.10 0.35 0.00 0.00 -0.22 0.00 0.00 33.01 33.05 1ufg s GLN 10 CO 0.01 -0.63 0.00 0.41 -0.25 0.00 0.00 175.29 174.84 1ufg n GLY 11 N -0.51 5.08 0.00 3.09 0.00 -1.26 -5.19 105.19 106.39 1ufg n GLY 11 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 3.75 3.31 -0.02 0.00 -1.26 -5.16 105.19 105.82 1ufg n GLY 12 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1ufg n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufg s GLY 13 N 0.00 1.31 0.25 -0.02 0.00 -1.26 -5.14 107.32 102.46 1ufg s GLY 13 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1ufg s GLY 13 CO 0.00 -1.08 0.15 -0.56 0.00 0.00 0.00 173.10 171.61 1ufg s SER 14 N -1.15 0.87 -0.02 1.64 0.01 -1.26 -5.05 113.70 108.73 1ufg s SER 14 Ca 0.10 -1.47 -0.03 0.00 1.31 0.00 0.00 55.95 55.86 1ufg s SER 14 Cb -0.10 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.51 1ufg s SER 14 CO 0.02 -0.86 0.05 0.52 0.41 0.00 0.00 173.24 173.38 1ufg n VAL 15 N -0.42-13.22 -3.23 3.43 0.31 -1.26 -5.07 118.33 98.86 1ufg n VAL 15 Ca 0.02 3.06 0.04 0.00 -0.01 0.00 0.00 64.34 67.45 1ufg n VAL 15 Cb 0.65 -6.17 -0.03 0.00 -0.91 0.00 0.00 33.84 27.39 1ufg n VAL 15 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1ufg s THR 16 N -0.60 -0.39 -0.56 2.52 -1.32 -1.26 -5.11 115.64 108.91 1ufg s THR 16 Ca -0.06 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.14 1ufg s THR 16 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1ufg s THR 16 CO 0.17 0.00 1.35 -0.54 -2.21 0.00 0.00 174.62 173.39 1ufg s LYS 17 N 2.71 3.37 0.12 7.08 3.01 -1.26 -4.95 119.74 129.82 1ufg s LYS 17 Ca -0.00 0.41 -0.07 0.00 -1.01 0.00 0.00 55.97 55.30 1ufg s LYS 17 Cb -0.08 -4.09 -0.01 0.00 -1.01 0.00 0.00 37.83 32.64 1ufg s LYS 17 CO -0.14 -1.85 0.19 0.15 0.51 0.00 0.00 175.35 174.21 1ufg s LYS 18 N 5.33 0.96 0.00 1.68 3.01 -1.26 -4.94 119.74 124.53 1ufg s LYS 18 Ca 0.50 -1.13 0.00 0.00 -1.01 0.00 0.00 55.97 54.33 1ufg s LYS 18 Cb -0.10 0.33 0.00 0.00 -1.01 0.00 0.00 37.83 37.05 1ufg s LYS 18 CO 0.25 -0.32 0.00 -2.13 0.51 0.00 0.00 175.35 173.67 1ufg n ARG 19 N -0.11 0.00 -1.55 1.68 0.00 -1.26 -4.90 116.66 110.51 1ufg n ARG 19 Ca -0.11 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.30 1ufg n ARG 19 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.07 1ufg n ARG 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ufg n LYS 20 N 0.00 1.06 -2.93 -0.14 3.00 -1.26 -3.65 118.16 114.24 1ufg n LYS 20 Ca 0.00 0.37 -0.01 0.00 -0.00 0.00 0.00 58.31 58.67 1ufg n LYS 20 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 35.03 33.34 1ufg n LYS 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ufg n LEU 21 N 1.33 -5.65 -3.64 3.14 7.99 -1.26 -5.03 117.00 113.88 1ufg n LEU 21 Ca 0.11 1.11 -0.01 0.00 -0.01 0.00 0.00 56.01 57.21 1ufg n LEU 21 Cb 0.32 -2.43 -0.04 0.00 -0.11 0.00 0.00 43.42 41.15 1ufg n LEU 21 CO 0.59 -2.62 0.29 -0.70 -1.51 0.00 0.00 177.39 173.44 1ufg s GLU 22 N -1.04 0.58 -0.39 3.23 2.56 -1.24 -5.08 118.70 117.31 1ufg s GLU 22 Ca -0.04 1.40 0.03 0.00 0.00 0.00 0.00 54.97 56.36 1ufg s GLU 22 Cb 0.00 0.78 0.16 0.00 2.00 0.00 0.00 34.13 37.08 1ufg s GLU 22 CO 0.38 -0.19 0.32 -1.12 -0.56 0.00 0.00 175.26 174.10 1ufg s SER 23 N 2.75 1.72 -0.29 -1.70 0.01 -1.26 -5.09 113.70 109.83 1ufg s SER 23 Ca -0.06 -2.58 -0.20 0.00 1.31 0.00 0.00 55.95 54.42 1ufg s SER 23 Cb -0.11 -0.20 0.18 0.00 0.21 0.00 0.00 66.02 66.10 1ufg s SER 23 CO -0.19 -0.22 1.24 -0.94 0.41 0.00 0.00 173.24 173.54 1ufg s SER 24 N 0.55 -0.18 -0.48 2.44 1.04 -1.26 -5.12 113.70 110.69 1ufg s SER 24 Ca 0.27 0.31 0.07 0.00 0.48 0.00 0.00 55.95 57.08 1ufg s SER 24 Cb -0.07 0.76 0.18 0.00 0.10 0.00 0.00 66.02 66.99 1ufg s SER 24 CO -0.11 -0.05 0.66 -0.70 0.98 0.00 0.00 173.24 174.02 1ufg s GLU 25 N 0.69 0.98 -0.02 4.02 2.12 -1.26 -5.13 118.70 120.10 1ufg s GLU 25 Ca -0.02 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.37 1ufg s GLU 25 Cb -0.04 -0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.23 1ufg s GLU 25 CO -0.12 -1.29 0.01 -1.12 -0.54 0.00 0.00 175.26 172.20 1ufg s SER 26 N 1.07 0.20 0.49 -1.70 0.01 -1.26 -5.13 113.70 107.38 1ufg s SER 26 Ca 0.26 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.31 1ufg s SER 26 Cb -0.01 -0.12 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1ufg s SER 26 CO -0.06 -0.10 1.00 -2.11 0.41 0.00 0.00 173.24 172.38 1ufg n ARG 27 N 4.03 1.23 -3.79 12.44 0.00 -1.26 -4.99 116.66 124.31 1ufg n ARG 27 Ca -0.26 0.45 -0.04 0.00 -0.00 0.00 0.00 57.85 58.00 1ufg n ARG 27 Cb 0.51 -2.11 -0.01 0.00 -0.00 0.00 0.00 32.46 30.86 1ufg n ARG 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ufg s SER 28 N -0.90 -0.14 0.22 2.89 0.01 -1.26 -5.16 113.70 109.35 1ufg s SER 28 Ca 0.67 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 57.30 1ufg s SER 28 Cb -0.50 0.55 -0.07 0.00 0.21 0.00 0.00 66.02 66.21 1ufg s SER 28 CO 0.54 -1.04 0.54 -0.44 0.41 0.00 0.00 173.24 173.25 1ufg s SER 29 N -3.03 6.64 0.54 2.44 0.01 -1.26 -4.92 113.70 114.13 1ufg s SER 29 Ca 0.14 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1ufg s SER 29 Cb -0.02 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1ufg s SER 29 CO 0.04 -0.05 0.00 0.49 0.41 0.00 0.00 173.24 174.13 1ufg n PHE 30 N -0.02 -3.73 -1.75 2.43 3.01 -1.26 -4.32 117.46 111.82 1ufg n PHE 30 Ca -0.00 2.03 -0.42 0.00 1.01 0.00 0.00 57.45 60.07 1ufg n PHE 30 Cb 0.52 -3.21 -0.00 0.00 -0.01 0.00 0.00 39.48 36.78 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 -3.12 4.56 -4.69 4.37 2.88 0.60 -4.79 113.62 113.44 1ufg n SER 31 Ca -0.03 -2.84 -0.40 0.00 -1.33 0.00 0.00 58.87 54.27 1ufg n SER 31 Cb 0.50 -1.63 0.02 0.00 -0.75 0.00 0.00 64.21 62.35 1ufg n SER 31 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ufg n GLN 32 N 5.55 1.68 -2.87 -1.46 7.27 -1.26 -3.48 117.38 122.81 1ufg n GLN 32 Ca 0.54 0.61 -0.10 0.00 0.07 0.00 0.00 57.00 58.11 1ufg n GLN 32 Cb 0.37 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.67 1ufg n GLN 32 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1ufg n HIS 33 N -0.60 -3.04 -3.81 3.69 8.25 0.11 -4.91 115.22 114.90 1ufg n HIS 33 Ca 0.09 -1.91 -0.20 0.00 -0.26 0.00 0.00 57.72 55.43 1ufg n HIS 33 Cb 0.42 1.21 -0.02 0.00 1.12 0.00 0.00 29.99 32.72 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 0.54 4.00 -0.30 -1.41 0.00 -1.26 -0.99 121.76 122.33 1ufg s ALA 34 Ca 0.31 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1ufg s ALA 34 Cb 0.10 -1.64 0.17 0.00 0.00 0.00 0.00 23.12 21.75 1ufg s ALA 34 CO -0.14 0.14 0.78 1.03 0.00 0.00 0.00 175.76 177.57 1ufg s ARG 35 N -4.03 0.43 0.22 0.00 0.52 0.70 -4.92 118.95 111.88 1ufg s ARG 35 Ca 0.38 0.85 -0.14 0.00 -0.52 0.00 0.00 55.73 56.31 1ufg s ARG 35 Cb -0.09 0.49 -0.08 0.00 0.52 0.00 0.00 34.95 35.79 1ufg s ARG 35 CO 0.29 -0.38 0.62 0.99 0.02 0.00 0.00 175.30 176.84 1ufg s THR 36 N 2.83 4.80 -0.48 0.02 2.01 -1.26 -0.37 115.64 123.20 1ufg s THR 36 Ca 0.08 0.80 0.06 0.00 0.31 0.00 0.00 61.69 62.94 1ufg s THR 36 Cb -0.12 -3.68 0.18 0.00 0.01 0.00 0.00 72.50 68.89 1ufg s THR 36 CO -0.18 0.04 0.63 -0.55 -0.69 0.00 0.00 174.62 173.87 1ufg s SER 37 N -2.05 -0.85 0.00 3.53 0.15 0.53 -4.93 113.70 110.09 1ufg s SER 37 Ca 0.45 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 55.32 1ufg s SER 37 Cb -0.13 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1ufg s SER 37 CO 0.20 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1ufg n GLY 38 N 3.24 -0.44 0.13 9.45 0.00 -1.24 -4.34 105.19 111.99 1ufg n GLY 38 Ca 0.18 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 0.67 -2.63 1.61 1.74 -1.26 -4.89 116.66 111.89 1ufg n ARG 39 Ca 0.00 0.21 -0.24 0.00 -0.77 0.00 0.00 57.85 57.05 1ufg n ARG 39 Cb 0.00 -1.58 0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 3.36 -0.17 1.55 1.01 -1.26 -1.31 120.40 121.05 1ufg s VAL 40 Ca -0.32 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1ufg s VAL 40 Cb 0.09 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1ufg s VAL 40 CO 0.63 -0.25 0.43 0.00 0.00 0.00 0.00 175.10 175.91 1ufg s ALA 41 N -2.82 -1.09 -0.97 5.51 0.00 0.95 -4.55 121.76 118.80 1ufg s ALA 41 Ca 0.54 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.61 1ufg s ALA 41 Cb -0.10 -0.80 -0.11 0.00 0.00 0.00 0.00 23.12 22.11 1ufg s ALA 41 CO 0.41 -0.23 2.08 0.08 0.00 0.00 0.00 175.76 178.10 1ufg s VAL 42 N 0.66 3.30 0.05 0.00 1.01 -1.26 -0.85 120.40 123.30 1ufg s VAL 42 Ca -0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1ufg s VAL 42 Cb -0.05 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1ufg s VAL 42 CO -0.04 -0.60 1.05 1.21 0.00 0.00 0.00 175.10 176.71 1ufg n GLU 43 N 8.61 -0.13 -3.64 2.72 2.13 -0.40 -4.68 120.64 125.26 1ufg n GLU 43 Ca 0.43 1.04 -0.09 0.00 0.66 0.00 0.00 57.16 59.20 1ufg n GLU 43 Cb 0.46 -1.55 -0.07 0.00 0.27 0.00 0.00 31.44 30.55 1ufg n GLU 43 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ufg s GLU 44 N -3.80 0.70 -0.21 5.31 2.56 0.09 -4.99 118.70 118.35 1ufg s GLU 44 Ca -0.04 1.01 0.02 0.00 0.00 0.00 0.00 54.97 55.96 1ufg s GLU 44 Cb 0.03 0.24 0.03 0.00 2.00 0.00 0.00 34.13 36.44 1ufg s GLU 44 CO 0.18 -0.11 -0.17 0.08 -0.56 0.00 0.00 175.26 174.68 1ufg s VAL 45 N 0.98 2.09 -0.19 3.70 1.01 -1.26 -0.22 120.40 126.51 1ufg s VAL 45 Ca -0.05 -1.19 -0.34 0.00 0.00 0.00 0.00 61.98 60.41 1ufg s VAL 45 Cb -0.05 -2.01 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1ufg s VAL 45 CO -0.10 0.33 2.00 -0.67 0.00 0.00 0.00 175.10 176.66 1ufg n ASP 46 N 4.55 3.03 -0.25 3.32 2.03 -0.92 -4.81 116.55 123.51 1ufg n ASP 46 Ca -0.18 0.73 0.11 0.00 0.52 0.00 0.00 54.79 55.96 1ufg n ASP 46 Cb 0.47 -1.35 0.38 0.00 -0.72 0.00 0.00 41.12 39.89 1ufg n ASP 46 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1ufg h GLU 47 N 10.71 0.68 0.00 -0.67 4.11 -1.97 0.54 114.58 127.99 1ufg h GLU 47 Ca -0.42 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 1ufg h GLU 47 Cb 1.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ufg h GLU 47 CO 0.97 0.45 -0.01 0.93 0.07 0.00 0.00 179.01 181.42 1ufg h GLU 48 N 0.70 0.00 -1.04 1.06 5.08 -1.88 -3.45 114.58 115.06 1ufg h GLU 48 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1ufg h GLU 48 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ufg h GLU 48 CO -0.17 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.25 1ufg n GLY 49 N -0.60 0.81 0.10 -3.84 0.00 0.19 -4.43 105.19 97.42 1ufg n GLY 49 Ca -0.01 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1ufg n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufg h LYS 50 N 0.00 0.05 -3.29 1.61 1.57 -1.89 -2.87 116.57 111.75 1ufg h LYS 50 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ufg h LYS 50 Cb 0.79 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.04 1ufg h LYS 50 CO 0.00 1.04 0.05 -0.59 -0.57 0.00 0.00 179.45 179.38 1ufg s PHE 51 N -2.36 -0.05 -0.23 -1.35 -0.12 -1.26 -0.30 117.98 112.31 1ufg s PHE 51 Ca -0.25 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 1ufg s PHE 51 Cb 0.04 0.43 0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1ufg s PHE 51 CO 0.65 -1.00 -0.12 0.08 -0.05 0.00 0.00 175.22 174.78 1ufg s VAL 52 N -3.91 1.93 -0.35 -2.49 1.01 0.17 -2.16 120.40 114.60 1ufg s VAL 52 Ca 0.12 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 1ufg s VAL 52 Cb -0.02 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1ufg s VAL 52 CO 0.01 0.12 0.32 -0.13 0.00 0.00 0.00 175.10 175.43 1ufg s ARG 53 N 1.25 3.45 -0.14 2.72 0.52 0.69 0.14 118.95 127.58 1ufg s ARG 53 Ca -0.04 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1ufg s ARG 53 Cb -0.18 -3.83 -0.01 0.00 0.52 0.00 0.00 34.95 31.45 1ufg s ARG 53 CO -0.07 -0.55 -0.15 -0.51 0.02 0.00 0.00 175.30 174.04 1ufg s LEU 54 N 1.90 2.55 0.12 2.53 1.43 0.13 -0.73 118.68 126.61 1ufg s LEU 54 Ca 0.09 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1ufg s LEU 54 Cb -0.17 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1ufg s LEU 54 CO 0.11 0.12 -0.24 -0.60 0.23 0.00 0.00 176.35 175.98 1ufg s ARG 55 N 0.59 1.57 -0.12 1.70 3.52 -0.03 0.42 118.95 126.59 1ufg s ARG 55 Ca -0.09 -1.27 -0.09 0.00 -0.13 0.00 0.00 55.73 54.15 1ufg s ARG 55 Cb -0.16 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 1ufg s ARG 55 CO 0.03 0.47 0.19 1.21 -0.81 0.00 0.00 175.30 176.39 1ufg s ASN 56 N -2.03 6.42 -0.06 -2.12 2.47 0.46 -0.03 114.94 120.06 1ufg s ASN 56 Ca 0.15 0.50 0.14 0.00 0.42 0.00 0.00 52.86 54.07 1ufg s ASN 56 Cb -0.10 -2.11 -0.20 0.00 -1.45 0.00 0.00 41.25 37.39 1ufg s ASN 56 CO 0.07 0.32 0.22 0.29 -3.72 0.00 0.00 177.10 174.28 1ufg n LYS 57 N 2.40 0.95 -1.73 0.43 4.76 -0.43 -3.12 118.16 121.43 1ufg n LYS 57 Ca -0.18 -0.09 -0.36 0.00 -2.87 0.00 0.00 58.31 54.82 1ufg n LYS 57 Cb 0.54 -1.34 0.07 0.00 -1.84 0.00 0.00 35.03 32.45 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 -4.03 4.66 0.39 4.39 1.04 -0.70 -4.76 113.70 114.68 1ufg s SER 58 Ca -0.06 2.46 0.22 0.00 0.48 0.00 0.00 55.95 59.05 1ufg s SER 58 Cb 0.07 -2.60 0.26 0.00 0.10 0.00 0.00 66.02 63.85 1ufg s SER 58 CO 0.58 -1.96 1.50 -0.55 0.98 0.00 0.00 173.24 173.79 1ufg h ASN 59 N 0.37 0.00 -2.94 7.02 7.08 -1.93 -3.23 115.58 121.94 1ufg h ASN 59 Ca -0.50 0.00 -0.65 0.00 -3.08 0.00 0.00 56.30 52.08 1ufg h ASN 59 Cb 1.31 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 37.45 1ufg h ASN 59 CO 0.53 0.04 -0.51 -1.61 -2.08 0.00 0.00 177.43 173.80 1ufg s GLU 60 N -3.21 3.62 0.13 4.14 0.41 -1.26 -4.55 118.70 117.98 1ufg s GLU 60 Ca 0.06 -0.21 -0.35 0.00 -0.41 0.00 0.00 54.97 54.06 1ufg s GLU 60 Cb 0.06 -3.20 -0.15 0.00 -1.78 0.00 0.00 34.13 29.06 1ufg s GLU 60 CO 0.70 0.60 1.44 -0.40 -0.49 0.00 0.00 175.26 177.10 1ufg n ASP 61 N 2.54 2.34 -4.53 -0.19 5.75 -1.26 -4.32 116.55 116.88 1ufg n ASP 61 Ca -0.18 1.11 -0.41 0.00 -0.01 0.00 0.00 54.79 55.29 1ufg n ASP 61 Cb 0.54 -1.31 -0.10 0.00 -1.03 0.00 0.00 41.12 39.22 1ufg n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1ufg s GLN 62 N 0.57 3.47 -0.02 0.11 2.00 0.99 -4.86 119.66 121.92 1ufg s GLN 62 Ca 0.80 -0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 53.28 1ufg s GLN 62 Cb -0.81 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 29.14 1ufg s GLN 62 CO 0.43 -0.52 1.22 -1.12 -0.50 0.00 0.00 175.29 174.81 1ufg s SER 63 N 1.73 7.04 -0.43 6.67 0.01 -1.26 0.38 113.70 127.83 1ufg s SER 63 Ca 0.09 1.89 0.04 0.00 1.31 0.00 0.00 55.95 59.28 1ufg s SER 63 Cb -0.17 -2.56 0.44 0.00 0.21 0.00 0.00 66.02 63.94 1ufg s SER 63 CO 0.11 -0.57 1.38 0.23 0.41 0.00 0.00 173.24 174.80 1ufg n MET 64 N 4.95 3.35 -1.40 12.44 0.00 -0.15 -4.83 117.12 131.49 1ufg n MET 64 Ca 0.11 -4.05 -0.29 0.00 0.00 0.00 0.00 57.70 53.47 1ufg n MET 64 Cb 0.46 -2.27 -0.07 0.00 0.00 0.00 0.00 33.22 31.33 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 -0.68 4.10 0.00 3.03 0.00 -1.17 -3.50 105.19 106.97 1ufg n GLY 65 Ca 0.47 -1.61 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 2.32 0.00 -4.21 1.61 5.03 -1.23 -4.46 115.26 114.31 1ufg n ASN 66 Ca 0.59 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.67 1ufg n ASN 66 Cb 0.51 0.00 0.05 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 -3.24 -4.13 3.10 7.02 -1.23 -4.38 117.44 114.59 1ufg n TRP 67 Ca 0.00 0.20 -0.12 0.00 -1.02 0.00 0.00 57.50 56.56 1ufg n TRP 67 Cb 0.00 -1.64 -0.08 0.00 -2.42 0.00 0.00 31.31 27.17 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 -2.15 1.41 -0.10 -0.99 1.11 0.98 0.68 119.66 120.60 1ufg s GLN 68 Ca 0.52 -1.54 0.00 0.00 0.01 0.00 0.00 55.36 54.35 1ufg s GLN 68 Cb -0.29 0.35 0.02 0.00 -1.01 0.00 0.00 33.01 32.08 1ufg s GLN 68 CO 0.72 -0.52 -0.09 0.42 0.01 0.00 0.00 175.29 175.82 1ufg s ILE 69 N -3.98 1.05 -0.04 1.08 1.01 0.66 0.53 121.20 121.52 1ufg s ILE 69 Ca 0.33 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 1ufg s ILE 69 Cb 0.04 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1ufg s ILE 69 CO 0.13 0.36 0.46 -0.13 0.00 0.00 0.00 174.94 175.75 1ufg s ARG 70 N 1.35 4.14 -0.10 2.79 0.52 0.26 -0.09 118.95 127.82 1ufg s ARG 70 Ca -0.02 0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1ufg s ARG 70 Cb -0.14 -3.32 0.04 0.00 0.52 0.00 0.00 34.95 32.06 1ufg s ARG 70 CO -0.04 0.46 0.05 0.50 0.02 0.00 0.00 175.30 176.28 1ufg s ARG 71 N -0.36 0.24 -0.37 3.54 6.06 0.67 -0.01 118.95 128.72 1ufg s ARG 71 Ca 0.25 0.09 0.01 0.00 -2.50 0.00 0.00 55.73 53.59 1ufg s ARG 71 Cb -0.16 -1.16 0.15 0.00 0.06 0.00 0.00 34.95 33.84 1ufg s ARG 71 CO 0.13 -0.44 0.25 -1.14 -2.50 0.00 0.00 175.30 171.60 1ufg s GLN 72 N 2.07 0.68 0.02 5.12 -0.44 -1.09 -0.59 119.66 125.42 1ufg s GLN 72 Ca 0.04 -1.59 0.00 0.00 -2.50 0.00 0.00 55.36 51.30 1ufg s GLN 72 Cb -0.14 -1.36 -0.04 0.00 -1.64 0.00 0.00 33.01 29.83 1ufg s GLN 72 CO -0.06 -1.27 0.11 -0.80 0.50 0.00 0.00 175.29 173.78 1ufg s ASN 73 N 0.73 5.83 0.00 6.67 0.01 -1.26 -3.61 114.94 123.31 1ufg s ASN 73 Ca 0.23 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1ufg s ASN 73 Cb -0.14 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1ufg s ASN 73 CO -0.06 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1ufg n GLY 74 N 0.89 0.55 2.65 0.66 0.00 -0.79 -2.46 105.19 106.68 1ufg n GLY 74 Ca -0.11 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.45 6.84 -4.71 1.61 8.00 -1.26 -4.93 116.55 118.66 1ufg n ASP 75 Ca 0.00 -3.16 -0.29 0.00 0.71 0.00 0.00 54.79 52.05 1ufg n ASP 75 Cb 0.00 -1.40 -0.09 0.00 -0.02 0.00 0.00 41.12 39.62 1ufg n ASP 75 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ufg s ASP 76 N 0.40 4.09 -0.29 -2.24 1.01 -1.03 -5.09 116.67 113.52 1ufg s ASP 76 Ca 0.47 -1.44 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 1ufg s ASP 76 Cb 0.15 -0.00 -0.00 0.00 1.01 0.00 0.00 42.92 44.07 1ufg s ASP 76 CO -0.05 -0.66 1.35 -2.16 0.21 0.00 0.00 175.17 173.86 1ufg s PRO 77 N -3.83 3.89 0.15 8.23 0.04 -1.26 -4.83 135.00 137.38 1ufg s PRO 77 Ca 0.24 1.30 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 1ufg s PRO 77 Cb 0.05 -3.90 -0.15 0.00 0.04 0.00 0.00 34.50 30.54 1ufg s PRO 77 CO 0.13 -1.16 1.44 -0.11 0.04 0.00 0.00 177.00 177.34 1ufg n LEU 78 N 7.77 2.48 -4.47 -3.56 7.94 -1.26 -4.93 117.00 120.97 1ufg n LEU 78 Ca 0.15 1.11 -0.30 0.00 -1.11 0.00 0.00 56.01 55.86 1ufg n LEU 78 Cb 0.46 -1.33 -0.12 0.00 0.53 0.00 0.00 43.42 42.96 1ufg n LEU 78 CO 0.63 -0.66 -0.50 -0.04 -1.11 0.00 0.00 177.39 175.72 1ufg s MET 79 N 0.48 1.86 -0.36 1.96 -1.94 0.24 -4.98 119.30 116.55 1ufg s MET 79 Ca 0.79 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 1ufg s MET 79 Cb -0.78 -2.12 0.12 0.00 2.01 0.00 0.00 34.83 34.06 1ufg s MET 79 CO 0.44 0.50 0.18 0.99 -0.01 0.00 0.00 175.02 177.12 1ufg s THR 80 N -1.05 0.73 -0.82 2.05 2.01 -1.25 -0.24 115.64 117.08 1ufg s THR 80 Ca 0.16 -1.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.09 1ufg s THR 80 Cb -0.10 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1ufg s THR 80 CO 0.08 -0.85 1.64 -0.47 -0.69 0.00 0.00 174.62 174.32 1ufg s TYR 81 N 1.07 2.06 -0.29 4.92 5.04 0.87 -4.76 117.35 126.26 1ufg s TYR 81 Ca 0.15 0.14 -0.28 0.00 -2.44 0.00 0.00 57.07 54.65 1ufg s TYR 81 Cb -0.21 -4.36 0.01 0.00 0.35 0.00 0.00 41.96 37.75 1ufg s TYR 81 CO -0.10 -2.02 0.99 0.50 -1.34 0.00 0.00 175.55 173.59 1ufg s ARG 82 N 6.21 4.10 1.07 4.97 3.52 -1.26 -0.24 118.95 137.32 1ufg s ARG 82 Ca 0.55 1.04 -0.12 0.00 -0.13 0.00 0.00 55.73 57.07 1ufg s ARG 82 Cb -0.07 -3.70 0.23 0.00 -1.56 0.00 0.00 34.95 29.85 1ufg s ARG 82 CO 0.06 -0.76 1.06 -0.06 -0.81 0.00 0.00 175.30 174.79 1ufg s PHE 83 N 3.35 1.66 0.48 5.12 0.08 0.21 -4.95 117.98 123.93 1ufg s PHE 83 Ca 0.42 1.21 -0.21 0.00 0.12 0.00 0.00 56.93 58.47 1ufg s PHE 83 Cb -0.13 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.06 1ufg s PHE 83 CO 0.12 -3.38 1.04 -1.25 -0.10 0.00 0.00 175.22 171.65 1ufg s PRO 84 N -4.65 3.84 0.00 0.24 0.04 -1.26 -4.21 135.00 129.00 1ufg s PRO 84 Ca 0.67 1.38 0.14 0.00 0.04 0.00 0.00 61.00 63.23 1ufg s PRO 84 Cb -0.22 -2.14 0.84 0.00 0.04 0.00 0.00 34.50 33.02 1ufg s PRO 84 CO 0.61 -0.40 1.37 -0.35 0.04 0.00 0.00 177.00 178.27 1ufg n PRO 85 N -0.87 0.75 -2.49 0.56 -0.04 -1.26 -3.01 135.00 128.64 1ufg n PRO 85 Ca 0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1ufg n PRO 85 Cb 0.52 -1.29 0.01 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.79 2.79 -4.62 0.54 4.01 -1.26 -4.56 118.16 114.27 1ufg n LYS 86 Ca 0.11 -4.10 -0.23 0.00 -0.51 0.00 0.00 58.31 53.58 1ufg n LYS 86 Cb 0.05 -1.97 -0.15 0.00 -0.51 0.00 0.00 35.03 32.46 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 -3.45 1.41 -0.10 2.13 5.36 -1.16 -5.02 117.98 117.14 1ufg s PHE 87 Ca 0.42 -0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 56.06 1ufg s PHE 87 Cb 0.41 -0.88 0.05 0.00 -0.34 0.00 0.00 43.02 42.26 1ufg s PHE 87 CO -0.10 0.01 0.10 0.99 -1.46 0.00 0.00 175.22 174.76 1ufg s THR 88 N -0.54 -0.15 -0.86 0.12 2.01 -1.26 -0.98 115.64 113.98 1ufg s THR 88 Ca 0.05 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 1ufg s THR 88 Cb -0.07 -0.33 0.14 0.00 0.01 0.00 0.00 72.50 72.25 1ufg s THR 88 CO 0.00 0.02 1.01 -0.22 -0.69 0.00 0.00 174.62 174.75 1ufg s LEU 89 N 2.20 5.32 1.03 4.42 2.96 0.16 -4.92 118.68 129.84 1ufg s LEU 89 Ca 0.04 -2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 51.72 1ufg s LEU 89 Cb -0.13 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 44.11 1ufg s LEU 89 CO -0.06 -1.02 -0.81 0.29 -1.32 0.00 0.00 176.35 173.43 1ufg n LYS 90 N 6.19 -0.47 -2.62 1.98 5.02 -1.26 -0.01 118.16 126.99 1ufg n LYS 90 Ca 0.17 -0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1ufg n LYS 90 Cb 0.48 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.10 3.28 0.00 7.82 0.00 -1.26 -2.75 121.76 126.74 1ufg s ALA 91 Ca 0.44 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1ufg s ALA 91 Cb -0.04 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1ufg s ALA 91 CO 0.69 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1ufg n GLY 92 N 3.04 0.55 4.00 0.00 0.00 -1.18 -4.94 105.19 106.66 1ufg n GLY 92 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 1.84 0.07 1.61 1.11 -1.11 -4.81 119.66 118.29 1ufg s GLN 93 Ca 0.00 -1.15 -0.12 0.00 0.01 0.00 0.00 55.36 54.11 1ufg s GLN 93 Cb 0.00 -2.39 0.01 0.00 -1.01 0.00 0.00 33.01 29.63 1ufg s GLN 93 CO 0.00 -1.30 0.26 0.54 0.01 0.00 0.00 175.29 174.79 1ufg s VAL 94 N -3.05 0.10 -0.06 1.09 0.11 -1.26 -0.40 120.40 116.94 1ufg s VAL 94 Ca 0.65 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1ufg s VAL 94 Cb -0.06 -1.08 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1ufg s VAL 94 CO 0.43 -0.48 0.14 0.54 -3.33 0.00 0.00 175.10 172.41 1ufg s VAL 95 N -3.11 -0.02 -0.14 2.04 0.11 0.17 -4.44 120.40 115.01 1ufg s VAL 95 Ca -0.01 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1ufg s VAL 95 Cb 0.01 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1ufg s VAL 95 CO -0.07 0.03 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.81 1ufg s THR 96 N 0.51 4.01 -0.90 5.04 2.01 0.10 0.20 115.64 126.61 1ufg s THR 96 Ca -0.04 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1ufg s THR 96 Cb -0.05 -2.73 0.22 0.00 0.01 0.00 0.00 72.50 69.95 1ufg s THR 96 CO -0.02 0.52 0.80 -0.38 -0.69 0.00 0.00 174.62 174.84 1ufg n ILE 97 N 3.15 3.04 -1.54 1.82 2.08 0.36 0.16 119.36 128.44 1ufg n ILE 97 Ca -0.18 -5.13 -0.32 0.00 0.56 0.00 0.00 62.75 57.69 1ufg n ILE 97 Cb 0.53 -2.37 0.07 0.00 -0.75 0.00 0.00 39.64 37.11 1ufg n ILE 97 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 1ufg s TRP 98 N -1.43 2.59 -0.09 1.39 0.52 0.20 -0.65 118.94 121.47 1ufg s TRP 98 Ca 0.28 1.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.93 1ufg s TRP 98 Cb -0.06 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.10 1ufg s TRP 98 CO -0.12 -1.75 0.01 0.00 0.02 0.00 0.00 176.95 175.10 1ufg s ALA 99 N -2.58 3.29 0.25 0.98 0.00 0.58 0.17 121.76 124.46 1ufg s ALA 99 Ca 0.65 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 1ufg s ALA 99 Cb -0.19 -1.51 0.33 0.00 0.00 0.00 0.00 23.12 21.75 1ufg s ALA 99 CO 0.48 0.57 1.56 1.03 0.00 0.00 0.00 175.76 179.39 1ufg h SER 100 N 5.25 -1.17 -0.91 0.00 0.87 -0.37 1.16 113.55 118.39 1ufg h SER 100 Ca -0.50 0.30 0.20 0.00 -1.23 0.00 0.00 61.79 60.55 1ufg h SER 100 Cb 1.19 0.67 -0.11 0.00 -0.44 0.00 0.00 62.40 63.71 1ufg h SER 100 CO 0.55 -0.30 0.46 1.23 -0.53 0.00 0.00 176.83 178.24 1ufg h GLY 101 N -0.01 1.57 -0.17 5.77 0.00 0.80 -1.67 103.07 109.36 1ufg h GLY 101 Ca 0.39 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.51 1ufg h GLY 101 CO -0.97 -0.16 -0.43 0.00 0.00 0.00 0.00 176.54 174.97 1ufg h ALA 102 N 1.65 -0.76 0.00 3.60 0.00 0.12 -3.47 119.26 120.41 1ufg h ALA 102 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1ufg h ALA 102 Cb 0.93 0.96 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1ufg h ALA 102 CO -0.45 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.28 1ufg n GLY 103 N -1.32 1.86 0.00 0.00 0.00 -0.63 -5.05 105.19 100.05 1ufg n GLY 103 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.93 0.00 -3.49 4.61 0.00 -1.26 -5.07 120.51 114.36 1ufg n ALA 104 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ufg n ALA 104 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1ufg n ALA 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ufg s THR 105 N -0.51 1.63 -0.78 0.00 2.01 -1.26 -5.02 115.64 111.71 1ufg s THR 105 Ca 0.00 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 1ufg s THR 105 Cb 0.00 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1ufg s THR 105 CO 0.00 0.47 2.01 -2.28 -0.69 0.00 0.00 174.62 174.12 1ufg s HIS 106 N 0.71 1.64 -0.62 4.92 2.46 -1.26 -4.58 115.29 118.55 1ufg s HIS 106 Ca -0.12 0.89 0.05 0.00 0.47 0.00 0.00 55.06 56.36 1ufg s HIS 106 Cb -0.16 -3.96 0.20 0.00 -0.13 0.00 0.00 32.58 28.54 1ufg s HIS 106 CO 0.03 -1.93 0.56 0.43 -2.47 0.00 0.00 174.74 171.36 1ufg n SER 107 N 14.32 2.60 -4.79 9.88 7.64 -0.98 -4.93 113.62 137.36 1ufg n SER 107 Ca 0.35 -3.14 -0.29 0.00 1.01 0.00 0.00 58.87 56.80 1ufg n SER 107 Cb 0.48 -0.69 0.13 0.00 -1.01 0.00 0.00 64.21 63.12 1ufg n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ufg s PRO 108 N -1.59 1.33 0.42 1.43 0.04 0.66 0.12 135.00 137.40 1ufg s PRO 108 Ca 0.32 0.36 0.27 0.00 0.04 0.00 0.00 61.00 61.99 1ufg s PRO 108 Cb 0.05 -1.85 0.88 0.00 0.04 0.00 0.00 34.50 33.61 1ufg s PRO 108 CO -0.12 -2.08 1.79 -1.00 0.04 0.00 0.00 177.00 175.62 1ufg h PRO 109 N -1.42 0.00 0.00 0.56 0.13 -1.99 -3.44 132.00 125.85 1ufg h PRO 109 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ufg h PRO 109 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ufg h PRO 109 CO 0.61 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.63 1ufg n THR 110 N -2.84 0.00 -2.12 1.56 -2.24 -1.20 -4.59 114.28 102.84 1ufg n THR 110 Ca 0.03 0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 62.04 1ufg n THR 110 Cb 0.39 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.09 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 -2.28 6.78 -0.24 3.42 1.01 0.31 0.01 116.67 125.69 1ufg s ASP 111 Ca 0.00 2.58 -0.03 0.00 0.71 0.00 0.00 52.55 55.80 1ufg s ASP 111 Cb 0.00 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.40 1ufg s ASP 111 CO 0.00 -0.58 0.18 -0.76 0.21 0.00 0.00 175.17 174.22 1ufg s LEU 112 N -0.71 0.15 0.19 1.23 1.43 0.43 -0.24 118.68 121.16 1ufg s LEU 112 Ca 0.55 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1ufg s LEU 112 Cb -0.39 0.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.81 1ufg s LEU 112 CO 0.44 -0.38 0.97 -0.69 0.23 0.00 0.00 176.35 176.93 1ufg s VAL 113 N 2.23 4.16 -0.59 -1.59 1.01 -1.26 0.59 120.40 124.95 1ufg s VAL 113 Ca 0.07 2.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.87 1ufg s VAL 113 Cb -0.15 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.06 1ufg s VAL 113 CO -0.23 0.41 0.66 0.86 0.00 0.00 0.00 175.10 176.80 1ufg s TRP 114 N -0.68 3.07 -0.08 5.22 -0.00 0.45 -4.86 118.94 122.06 1ufg s TRP 114 Ca 0.44 -1.07 -0.17 0.00 -0.00 0.00 0.00 56.10 55.30 1ufg s TRP 114 Cb -0.26 -3.96 -0.29 0.00 -0.00 0.00 0.00 33.47 28.96 1ufg s TRP 114 CO 0.32 -1.23 0.66 0.87 -0.00 0.00 0.00 176.95 177.58 1ufg h LYS 115 N 9.09 0.27 -0.89 5.86 1.57 -1.94 0.38 116.57 130.91 1ufg h LYS 115 Ca -0.28 -0.47 0.24 0.00 -1.87 0.00 0.00 60.65 58.27 1ufg h LYS 115 Cb 1.09 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 1ufg h LYS 115 CO 1.08 1.22 0.19 0.00 -0.57 0.00 0.00 179.45 181.37 1ufg h ALA 116 N -0.00 1.24 -1.17 3.86 0.00 -2.00 -3.40 119.26 117.78 1ufg h ALA 116 Ca -0.26 0.25 -0.45 0.00 0.00 0.00 0.00 54.91 54.44 1ufg h ALA 116 Cb 1.76 0.38 0.02 0.00 0.00 0.00 0.00 17.79 19.94 1ufg h ALA 116 CO 0.09 -0.50 -0.20 -0.65 0.00 0.00 0.00 179.25 177.99 1ufg s GLN 117 N -5.95 2.60 -0.01 0.00 -1.52 -1.25 -5.04 119.66 108.49 1ufg s GLN 117 Ca -0.12 -1.42 0.10 0.00 -1.95 0.00 0.00 55.36 51.97 1ufg s GLN 117 Cb 0.26 -2.69 -0.16 0.00 -0.22 0.00 0.00 33.01 30.20 1ufg s GLN 117 CO 0.77 -0.51 0.22 0.27 -0.25 0.00 0.00 175.29 175.80 1ufg n ASN 118 N -1.99 2.68 -3.63 5.90 6.94 -1.26 -4.00 115.26 119.90 1ufg n ASN 118 Ca 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.61 1ufg n ASN 118 Cb 0.60 1.46 -0.02 0.00 -2.36 0.00 0.00 39.78 39.46 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ufg s THR 119 N -2.70 0.00 -0.77 5.53 -1.32 -1.26 0.13 115.64 115.25 1ufg s THR 119 Ca -0.04 -0.32 0.25 0.00 -1.21 0.00 0.00 61.69 60.37 1ufg s THR 119 Cb 0.06 -1.50 0.07 0.00 -1.51 0.00 0.00 72.50 69.63 1ufg s THR 119 CO 0.42 0.00 1.43 0.79 -2.21 0.00 0.00 174.62 175.05 1ufg n TRP 120 N -0.36 0.39 0.00 9.09 7.02 -1.08 -4.99 117.44 127.52 1ufg n TRP 120 Ca -0.08 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1ufg n TRP 120 Cb 0.61 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1ufg n TRP 120 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ufg n GLY 121 N 1.39 -0.34 2.27 6.99 0.00 -1.26 -4.86 105.19 109.39 1ufg n GLY 121 Ca 0.04 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.38 -0.02 5.03 0.00 0.00 -1.26 -4.60 105.19 103.95 1ufg n GLY 123 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ufg n GLY 123 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufg n SER 124 N 0.00 0.00 -4.68 1.61 2.88 -1.26 -4.60 113.62 107.57 1ufg n SER 124 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1ufg n SER 124 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ufg n SER 124 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufg s SER 125 N -0.40 7.14 0.07 -3.46 0.15 -1.26 -0.98 113.70 114.96 1ufg s SER 125 Ca 0.00 1.63 0.03 0.00 0.70 0.00 0.00 55.95 58.30 1ufg s SER 125 Cb 0.00 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1ufg s SER 125 CO 0.00 -0.54 -0.08 -0.76 1.20 0.00 0.00 173.24 173.06 1ufg s LEU 126 N 2.30 2.37 -0.38 3.45 1.43 0.37 -1.89 118.68 126.31 1ufg s LEU 126 Ca 0.51 -0.75 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1ufg s LEU 126 Cb -0.20 -0.19 0.18 0.00 0.03 0.00 0.00 46.19 46.00 1ufg s LEU 126 CO 0.18 -0.29 0.57 -0.60 0.23 0.00 0.00 176.35 176.44 1ufg s ARG 127 N -2.52 0.74 0.09 1.70 3.52 -1.24 -1.47 118.95 119.77 1ufg s ARG 127 Ca 0.00 -0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.28 1ufg s ARG 127 Cb -0.04 -0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.24 1ufg s ARG 127 CO -0.01 -1.17 0.33 0.99 -0.81 0.00 0.00 175.30 174.63 1ufg s THR 128 N 1.91 5.22 0.07 4.11 2.01 -0.78 -2.68 115.64 125.50 1ufg s THR 128 Ca 0.15 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.18 1ufg s THR 128 Cb -0.07 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1ufg s THR 128 CO -0.09 0.17 0.07 0.00 -0.69 0.00 0.00 174.62 174.07 1ufg s ALA 129 N -1.51 0.18 -0.09 7.40 0.00 0.99 0.06 121.76 128.79 1ufg s ALA 129 Ca 0.36 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1ufg s ALA 129 Cb -0.13 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1ufg s ALA 129 CO 0.22 -0.43 -0.23 -1.17 0.00 0.00 0.00 175.76 174.15 1ufg s LEU 130 N -2.87 2.06 0.07 0.00 2.96 0.07 0.92 118.68 121.89 1ufg s LEU 130 Ca 0.06 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1ufg s LEU 130 Cb 0.06 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1ufg s LEU 130 CO -0.10 0.17 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.37 1ufg s ILE 131 N 0.28 3.45 0.00 6.68 -1.09 0.19 -0.89 121.20 129.81 1ufg s ILE 131 Ca -0.16 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1ufg s ILE 131 Cb -0.17 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1ufg s ILE 131 CO 0.08 0.21 0.00 -0.46 -1.23 0.00 0.00 174.94 173.54 1ufg n ASN 132 N 1.00 0.18 -0.34 3.58 0.23 -0.55 -0.01 115.26 119.36 1ufg n ASN 132 Ca -0.14 -0.95 -0.05 0.00 -0.53 0.00 0.00 54.58 52.91 1ufg n ASN 132 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 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 -2.67 -0.73 -4.88 0.53 3.41 -1.26 -4.35 113.62 103.67 1ufg n SER 133 Ca 0.00 1.49 -0.30 0.00 -0.26 0.00 0.00 58.87 59.80 1ufg n SER 133 Cb 0.00 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.70 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 -5.60 4.69 -0.69 6.66 -1.32 -1.26 -4.79 115.64 113.33 1ufg s THR 134 Ca -0.11 0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 60.99 1ufg s THR 134 Cb 0.13 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1ufg s THR 134 CO 0.56 -1.03 1.86 0.61 -2.21 0.00 0.00 174.62 174.41 1ufg n GLY 135 N -2.63 2.76 2.99 6.08 0.00 -1.26 -4.75 105.19 108.38 1ufg n GLY 135 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 3.71 0.37 0.09 1.61 2.12 -1.26 -5.03 118.70 120.30 1ufg s GLU 136 Ca 0.31 -0.51 -0.20 0.00 0.36 0.00 0.00 54.97 54.93 1ufg s GLU 136 Cb 0.08 -0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.26 1ufg s GLU 136 CO -0.03 0.02 0.59 -2.00 -0.54 0.00 0.00 175.26 173.31 1ufg s GLU 137 N -1.08 4.23 -0.07 4.30 2.12 -1.26 -1.48 118.70 125.47 1ufg s GLU 137 Ca -0.09 0.78 0.08 0.00 0.36 0.00 0.00 54.97 56.10 1ufg s GLU 137 Cb -0.07 -3.22 -0.11 0.00 0.26 0.00 0.00 34.13 30.99 1ufg s GLU 137 CO -0.00 0.62 0.05 1.33 -0.54 0.00 0.00 175.26 176.72 1ufg n VAL 138 N 1.65 0.49 -3.86 3.70 0.24 -0.07 -4.94 118.33 115.54 1ufg n VAL 138 Ca -0.10 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 1ufg n VAL 138 Cb 0.51 -0.62 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.23 0.05 2.33 0.00 -1.23 0.20 121.76 120.61 1ufg s ALA 139 Ca -0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1ufg s ALA 139 Cb 0.03 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1ufg s ALA 139 CO 0.35 -0.56 0.12 0.00 0.00 0.00 0.00 175.76 175.67 1ufg s MET 140 N -3.88 0.66 -0.39 0.00 0.00 0.50 -0.76 119.30 115.44 1ufg s MET 140 Ca 0.08 -0.81 0.04 0.00 0.00 0.00 0.00 55.69 55.00 1ufg s MET 140 Cb 0.04 0.26 0.16 0.00 0.00 0.00 0.00 34.83 35.29 1ufg s MET 140 CO -0.08 -0.18 0.41 0.50 0.00 0.00 0.00 175.02 175.67 1ufg s ARG 141 N -2.97 0.70 0.34 3.16 3.52 0.11 -0.21 118.95 123.60 1ufg s ARG 141 Ca -0.02 -0.94 -0.15 0.00 -0.13 0.00 0.00 55.73 54.49 1ufg s ARG 141 Cb 0.01 -0.69 -0.09 0.00 -1.56 0.00 0.00 34.95 32.63 1ufg s ARG 141 CO -0.06 -1.22 0.75 0.21 -0.81 0.00 0.00 175.30 174.17 1ufg s LYS 142 N 1.30 3.98 -0.30 5.12 2.20 -0.17 -1.86 119.74 130.02 1ufg s LYS 142 Ca 0.19 0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 56.40 1ufg s LYS 142 Cb -0.13 -2.41 0.17 0.00 -1.51 0.00 0.00 37.83 33.95 1ufg s LYS 142 CO -0.04 0.12 0.65 -0.51 -0.36 0.00 0.00 175.35 175.21 1ufg s LEU 143 N -3.12 -1.24 0.16 5.43 1.43 -0.54 0.04 118.68 120.84 1ufg s LEU 143 Ca 0.54 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.84 1ufg s LEU 143 Cb -0.10 2.17 -0.04 0.00 0.03 0.00 0.00 46.19 48.25 1ufg s LEU 143 CO 0.19 -0.23 -0.21 0.54 0.23 0.00 0.00 176.35 176.87 1ufg s VAL 144 N 2.86 1.99 0.12 -1.59 0.11 -1.23 0.14 120.40 122.80 1ufg s VAL 144 Ca 0.09 -1.86 0.02 0.00 -2.93 0.00 0.00 61.98 57.31 1ufg s VAL 144 Cb -0.13 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 1ufg s VAL 144 CO -0.20 -0.17 0.20 -0.60 -3.33 0.00 0.00 175.10 171.01 1ufg s ARG 145 N -2.51 3.24 -1.08 1.54 3.52 -0.15 0.22 118.95 123.74 1ufg s ARG 145 Ca 0.15 -0.63 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 1ufg s ARG 145 Cb -0.08 -2.88 0.13 0.00 -1.56 0.00 0.00 34.95 30.56 1ufg s ARG 145 CO 0.07 0.54 1.35 0.45 -0.81 0.00 0.00 175.30 176.90 1ufg s SER 146 N -2.90 6.80 0.10 -2.12 0.15 -1.26 -4.74 113.70 109.73 1ufg s SER 146 Ca 0.33 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.62 1ufg s SER 146 Cb -0.11 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1ufg s SER 146 CO 0.26 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1ufg n GLY 147 N 5.16 0.98 3.69 9.45 0.00 -1.26 -5.03 105.19 118.18 1ufg n GLY 147 Ca 0.33 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 0.66 4.37 -0.19 1.61 0.04 -1.26 -4.94 135.00 135.29 1ufg s PRO 148 Ca 0.00 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 1ufg s PRO 148 Cb 0.00 -3.52 -0.09 0.00 0.04 0.00 0.00 34.50 30.93 1ufg s PRO 148 CO 0.00 -0.41 -0.14 0.45 0.04 0.00 0.00 177.00 176.94 1ufg n SER 149 N 4.95 1.87 -4.73 6.66 2.88 -1.26 -4.91 113.62 119.07 1ufg n SER 149 Ca 0.11 0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 57.70 1ufg n SER 149 Cb 0.46 -0.86 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1ufg n SER 149 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ufg s SER 150 N -6.32 6.45 0.00 -3.46 0.01 -1.26 -5.34 113.70 103.79 1ufg s SER 150 Ca -0.25 2.81 0.00 0.00 1.31 0.00 0.00 55.95 59.82 1ufg s SER 150 Cb 0.05 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1ufg s SER 150 CO 0.40 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.76