#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 -0.36 0.24 1.61 0.01 -1.26 -5.19 113.70 108.75 1ufg s SER 2 Ca 0.00 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.74 1ufg s SER 2 Cb 0.00 0.61 0.03 0.00 0.21 0.00 0.00 66.02 66.87 1ufg s SER 2 CO 0.00 -1.06 0.77 -0.55 0.41 0.00 0.00 173.24 172.81 1ufg s SER 3 N -2.81 -0.26 -0.29 2.44 0.15 -1.26 -5.18 113.70 106.49 1ufg s SER 3 Ca 0.07 -0.52 -0.28 0.00 0.70 0.00 0.00 55.95 55.93 1ufg s SER 3 Cb -0.03 0.66 0.19 0.00 -1.71 0.00 0.00 66.02 65.13 1ufg s SER 3 CO -0.02 -1.21 1.37 -0.83 1.20 0.00 0.00 173.24 173.75 1ufg s GLY 4 N -2.91 0.15 0.01 9.45 0.00 -1.26 -5.19 107.32 107.57 1ufg s GLY 4 Ca 0.11 2.99 -0.29 0.00 0.00 0.00 0.00 44.72 47.52 1ufg s GLY 4 CO 0.04 1.32 1.16 -1.35 0.00 0.00 0.00 173.10 174.28 1ufg s SER 5 N -0.75 -0.12 0.27 1.64 1.04 -1.26 -5.19 113.70 109.34 1ufg s SER 5 Ca 0.08 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1ufg s SER 5 Cb -0.02 0.26 -0.06 0.00 0.10 0.00 0.00 66.02 66.31 1ufg s SER 5 CO -0.10 -0.48 -0.01 -0.55 0.98 0.00 0.00 173.24 173.09 1ufg s SER 6 N -2.84 2.32 0.08 7.02 0.15 -1.26 -5.16 113.70 114.01 1ufg s SER 6 Ca 0.12 -1.25 -0.18 0.00 0.70 0.00 0.00 55.95 55.35 1ufg s SER 6 Cb 0.02 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.31 1ufg s SER 6 CO -0.03 -0.47 0.84 0.61 1.20 0.00 0.00 173.24 175.39 1ufg n GLY 7 N -0.55 0.61 3.58 9.45 0.00 -1.26 -5.19 105.19 111.84 1ufg n GLY 7 Ca -0.04 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 1ufg n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ufg s GLN 8 N -2.03 0.44 0.14 1.61 -2.07 -1.26 -5.19 119.66 111.30 1ufg s GLN 8 Ca 0.19 -0.02 -0.18 0.00 -1.82 0.00 0.00 55.36 53.53 1ufg s GLN 8 Cb -0.02 0.20 0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1ufg s GLN 8 CO 0.02 -0.16 0.47 -1.54 -1.32 0.00 0.00 175.29 172.76 1ufg s SER 9 N -1.59 -0.35 -0.29 12.60 1.04 -1.26 -5.17 113.70 118.67 1ufg s SER 9 Ca 0.05 -0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.11 1ufg s SER 9 Cb -0.01 0.52 0.17 0.00 0.10 0.00 0.00 66.02 66.80 1ufg s SER 9 CO -0.04 -0.90 1.06 -1.10 0.98 0.00 0.00 173.24 173.25 1ufg s GLN 10 N -3.79 0.27 -0.27 4.02 -0.21 -1.26 -5.14 119.66 113.29 1ufg s GLN 10 Ca 0.02 0.50 -0.01 0.00 0.02 0.00 0.00 55.36 55.89 1ufg s GLN 10 Cb 0.01 0.12 0.13 0.00 1.00 0.00 0.00 33.01 34.27 1ufg s GLN 10 CO -0.12 -0.06 0.30 0.20 -2.12 0.00 0.00 175.29 173.48 1ufg s GLY 11 N 1.50 -0.17 0.00 3.09 0.00 -1.26 -5.13 107.32 105.34 1ufg s GLY 11 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1ufg s GLY 11 CO -0.14 2.57 0.00 0.61 0.00 0.00 0.00 173.10 176.14 1ufg n GLY 12 N 5.32 5.04 0.00 0.20 0.00 -1.26 -5.19 105.19 109.31 1ufg n GLY 12 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 5.84 3.15 -0.02 0.00 -1.26 -5.15 105.19 107.75 1ufg n GLY 13 Ca 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.51 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 1.00 -1.52 -0.29 1.61 0.15 -1.26 -5.14 113.70 108.26 1ufg s SER 14 Ca 0.00 0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 1ufg s SER 14 Cb 0.00 1.96 0.12 0.00 -1.71 0.00 0.00 66.02 66.38 1ufg s SER 14 CO 0.00 -0.27 0.75 0.54 1.20 0.00 0.00 173.24 175.46 1ufg s VAL 15 N 2.75 -0.40 -0.03 4.45 0.11 -1.26 -5.08 120.40 120.95 1ufg s VAL 15 Ca 0.12 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1ufg s VAL 15 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1ufg s VAL 15 CO -0.24 0.00 -0.14 0.41 -3.33 0.00 0.00 175.10 171.80 1ufg n THR 16 N 4.70 1.20 -1.52 5.04 -1.04 -1.26 -5.01 114.28 116.38 1ufg n THR 16 Ca -0.16 0.28 -0.50 0.00 -2.04 0.00 0.00 64.05 61.63 1ufg n THR 16 Cb 0.55 -1.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1ufg n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ufg n LYS 17 N -3.77 0.66 -3.15 -2.82 5.02 -1.26 -4.95 118.16 107.88 1ufg n LYS 17 Ca -0.06 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.51 1ufg n LYS 17 Cb 0.21 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1ufg n LYS 17 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ufg s LYS 18 N -0.56 0.56 0.00 1.97 -2.85 -1.26 -5.16 119.74 112.44 1ufg s LYS 18 Ca 0.73 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.61 1ufg s LYS 18 Cb -0.94 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 35.32 1ufg s LYS 18 CO 0.55 -0.69 0.00 -2.13 0.10 0.00 0.00 175.35 173.18 1ufg n ARG 19 N 5.43 -1.49 0.09 1.78 0.63 -1.26 -5.10 116.66 116.73 1ufg n ARG 19 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ufg n ARG 19 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1ufg n ARG 19 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ufg n LYS 20 N -0.17 0.00 -4.07 -0.14 4.81 -1.26 -5.16 118.16 112.18 1ufg n LYS 20 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1ufg n LYS 20 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1ufg n LYS 20 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ufg s LEU 21 N -5.53 0.98 0.00 3.14 1.43 -1.26 -5.12 118.68 112.32 1ufg s LEU 21 Ca 0.00 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1ufg s LEU 21 Cb 0.00 0.96 0.00 0.00 0.03 0.00 0.00 46.19 47.18 1ufg s LEU 21 CO 0.00 -0.91 0.00 1.21 0.23 0.00 0.00 176.35 176.88 1ufg n GLU 22 N -0.25 0.00 -3.66 1.70 0.00 -1.26 -5.15 120.64 112.01 1ufg n GLU 22 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.06 1ufg n GLU 22 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 32.00 1ufg n GLU 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ufg s SER 23 N 0.00 -0.73 0.00 4.31 0.15 -1.26 -5.14 113.70 111.03 1ufg s SER 23 Ca 0.00 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1ufg s SER 23 Cb 0.00 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 1ufg s SER 23 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 1ufg n SER 24 N 4.82 0.00 -3.67 5.45 2.88 -1.26 -5.16 113.62 116.68 1ufg n SER 24 Ca -0.16 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.27 1ufg n SER 24 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.88 1ufg n SER 24 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ufg s GLU 25 N 0.00 0.24 -0.17 -1.46 2.56 -1.26 -5.15 118.70 113.47 1ufg s GLU 25 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 54.97 55.51 1ufg s GLU 25 Cb 0.00 0.10 0.13 0.00 2.00 0.00 0.00 34.13 36.36 1ufg s GLU 25 CO 0.00 -0.25 1.03 0.45 -0.56 0.00 0.00 175.26 175.93 1ufg s SER 26 N 2.29 -0.34 -0.48 -1.70 0.15 -1.26 -5.11 113.70 107.26 1ufg s SER 26 Ca -0.02 0.36 0.03 0.00 0.70 0.00 0.00 55.95 57.02 1ufg s SER 26 Cb -0.11 0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.63 1ufg s SER 26 CO -0.11 -0.32 0.32 -0.60 1.20 0.00 0.00 173.24 173.74 1ufg s ARG 27 N -1.18 1.32 0.00 5.44 3.52 -1.26 -4.95 118.95 121.84 1ufg s ARG 27 Ca -0.01 -2.25 0.00 0.00 -0.13 0.00 0.00 55.73 53.35 1ufg s ARG 27 Cb -0.01 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1ufg s ARG 27 CO 0.00 -1.27 0.00 0.45 -0.81 0.00 0.00 175.30 173.67 1ufg n SER 28 N 3.03 0.00 0.00 -2.12 2.88 -1.26 -5.17 113.62 110.98 1ufg n SER 28 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1ufg n SER 28 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1ufg n SER 28 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ufg n SER 29 N 0.00 0.00 -4.15 -3.46 3.41 -1.26 -5.15 113.62 103.00 1ufg n SER 29 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1ufg n SER 29 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1ufg n SER 29 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ufg n PHE 30 N -0.09 -3.80 -0.73 7.33 3.72 -1.26 -4.61 117.46 118.02 1ufg n PHE 30 Ca 0.00 0.20 -0.24 0.00 -0.05 0.00 0.00 57.45 57.36 1ufg n PHE 30 Cb 0.00 -1.59 -0.03 0.00 -0.94 0.00 0.00 39.48 36.93 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 2.63 3.75 -4.73 4.37 2.88 0.59 -4.75 113.62 118.36 1ufg n SER 31 Ca 0.03 -2.36 -0.42 0.00 -1.33 0.00 0.00 58.87 54.79 1ufg n SER 31 Cb 0.52 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 1ufg n SER 31 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ufg s GLN 32 N 4.01 4.15 -0.31 -1.46 0.74 -1.26 -3.97 119.66 121.57 1ufg s GLN 32 Ca 0.39 2.53 -0.01 0.00 0.05 0.00 0.00 55.36 58.33 1ufg s GLN 32 Cb 0.10 -3.08 0.13 0.00 1.10 0.00 0.00 33.01 31.26 1ufg s GLN 32 CO 0.01 -0.68 0.26 -3.38 -0.55 0.00 0.00 175.29 170.95 1ufg s HIS 33 N 0.91 -0.13 0.27 1.67 -3.43 0.08 -4.95 115.29 109.71 1ufg s HIS 33 Ca 0.71 -0.60 0.07 0.00 -0.80 0.00 0.00 55.06 54.44 1ufg s HIS 33 Cb -0.48 -0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 30.04 1ufg s HIS 33 CO 0.35 -0.90 0.27 0.00 -2.00 0.00 0.00 174.74 172.46 1ufg s ALA 34 N 2.01 3.76 -0.27 -1.38 0.00 -1.26 -0.98 121.76 123.64 1ufg s ALA 34 Ca 0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1ufg s ALA 34 Cb -0.16 -1.39 0.16 0.00 0.00 0.00 0.00 23.12 21.74 1ufg s ALA 34 CO -0.25 0.17 0.49 1.03 0.00 0.00 0.00 175.76 177.20 1ufg s ARG 35 N -3.93 0.46 0.16 0.00 0.52 0.12 -4.95 118.95 111.33 1ufg s ARG 35 Ca 0.36 0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 56.20 1ufg s ARG 35 Cb -0.08 0.04 -0.07 0.00 0.52 0.00 0.00 34.95 35.36 1ufg s ARG 35 CO 0.27 -0.64 0.54 0.99 0.02 0.00 0.00 175.30 176.48 1ufg s THR 36 N 2.70 4.88 -0.48 0.02 2.01 -1.26 -0.71 115.64 122.80 1ufg s THR 36 Ca 0.17 0.76 0.06 0.00 0.31 0.00 0.00 61.69 62.99 1ufg s THR 36 Cb -0.15 -3.71 0.18 0.00 0.01 0.00 0.00 72.50 68.83 1ufg s THR 36 CO -0.19 0.19 0.64 -0.55 -0.69 0.00 0.00 174.62 174.03 1ufg s SER 37 N -1.82 -0.88 0.00 3.53 0.15 0.52 -4.93 113.70 110.26 1ufg s SER 37 Ca 0.39 -1.86 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1ufg s SER 37 Cb -0.14 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1ufg s SER 37 CO 0.19 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1ufg n GLY 38 N 3.13 -0.57 0.10 9.45 0.00 -1.25 -4.48 105.19 111.56 1ufg n GLY 38 Ca 0.19 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.74 -2.91 1.61 1.74 -1.26 -4.85 116.66 111.73 1ufg n ARG 39 Ca 0.00 0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.96 1ufg n ARG 39 Cb 0.00 -1.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1ufg n ARG 39 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ufg s VAL 40 N -2.44 3.36 -0.20 1.55 1.01 -1.26 -0.16 120.40 122.25 1ufg s VAL 40 Ca -0.24 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1ufg s VAL 40 Cb 0.07 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1ufg s VAL 40 CO 0.58 -0.14 0.51 0.00 0.00 0.00 0.00 175.10 176.04 1ufg s ALA 41 N -2.57 -1.32 -0.88 5.51 0.00 0.71 -4.56 121.76 118.66 1ufg s ALA 41 Ca 0.52 1.75 -0.26 0.00 0.00 0.00 0.00 51.96 53.97 1ufg s ALA 41 Cb -0.10 -1.04 -0.17 0.00 0.00 0.00 0.00 23.12 21.81 1ufg s ALA 41 CO 0.37 -0.29 2.31 0.28 0.00 0.00 0.00 175.76 178.43 1ufg n VAL 42 N 3.93 0.00 -0.42 0.00 0.31 -1.26 -1.33 118.33 119.56 1ufg n VAL 42 Ca -0.20 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 1ufg n VAL 42 Cb 0.56 -1.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 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 8.52 -0.43 -3.64 5.55 0.00 -0.93 -4.66 120.64 125.05 1ufg n GLU 43 Ca 0.45 1.50 -0.02 0.00 0.00 0.00 0.00 57.16 59.09 1ufg n GLU 43 Cb 0.44 -2.20 -0.06 0.00 0.00 0.00 0.00 31.44 29.61 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 -5.50 0.38 -0.26 5.31 2.56 -0.55 -4.97 118.70 115.66 1ufg s GLU 44 Ca -0.12 0.66 0.01 0.00 0.00 0.00 0.00 54.97 55.53 1ufg s GLU 44 Cb 0.11 0.09 0.05 0.00 2.00 0.00 0.00 34.13 36.38 1ufg s GLU 44 CO 0.62 -0.08 -0.08 0.08 -0.56 0.00 0.00 175.26 175.23 1ufg s VAL 45 N 1.39 2.44 -0.31 3.70 1.01 -1.26 0.42 120.40 127.79 1ufg s VAL 45 Ca -0.09 -1.46 -0.35 0.00 0.00 0.00 0.00 61.98 60.08 1ufg s VAL 45 Cb -0.04 -2.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.85 1ufg s VAL 45 CO -0.15 0.02 2.12 -0.67 0.00 0.00 0.00 175.10 176.42 1ufg n ASP 46 N 4.52 2.34 -0.27 3.32 -0.08 -0.80 -4.78 116.55 120.79 1ufg n ASP 46 Ca -0.15 0.52 0.13 0.00 -1.51 0.00 0.00 54.79 53.79 1ufg n ASP 46 Cb 0.43 -1.27 0.40 0.00 2.34 0.00 0.00 41.12 43.02 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 11.72 0.63 -0.55 -0.67 4.11 -1.93 0.34 114.58 128.24 1ufg h GLU 47 Ca -0.32 -0.04 0.16 0.00 0.07 0.00 0.00 59.36 59.23 1ufg h GLU 47 Cb 1.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1ufg h GLU 47 CO 1.00 0.41 0.39 0.93 0.07 0.00 0.00 179.01 181.82 1ufg h GLU 48 N 0.65 0.01 -0.50 1.06 5.08 -1.86 -3.42 114.58 115.59 1ufg h GLU 48 Ca 0.46 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1ufg h GLU 48 Cb 0.82 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ufg h GLU 48 CO -0.22 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.21 1ufg n GLY 49 N -1.64 0.96 0.12 -3.84 0.00 0.12 -3.73 105.19 97.19 1ufg n GLY 49 Ca 0.10 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.25 0.58 -3.77 1.61 5.02 -1.26 -1.84 118.16 118.25 1ufg n LYS 50 Ca 0.00 0.43 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 1ufg n LYS 50 Cb 0.24 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.43 -0.01 -0.18 2.13 -0.12 -1.26 0.11 117.98 116.21 1ufg s PHE 51 Ca -0.33 -0.32 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1ufg s PHE 51 Cb 0.10 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1ufg s PHE 51 CO 0.54 -0.58 -0.20 0.08 -0.05 0.00 0.00 175.22 175.02 1ufg s VAL 52 N -3.53 2.08 -0.20 -2.49 1.01 -0.27 -1.90 120.40 115.10 1ufg s VAL 52 Ca 0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1ufg s VAL 52 Cb 0.03 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1ufg s VAL 52 CO -0.09 0.52 0.10 -0.60 0.00 0.00 0.00 175.10 175.03 1ufg s ARG 53 N 1.29 4.06 -0.08 2.72 3.52 0.17 0.27 118.95 130.90 1ufg s ARG 53 Ca 0.05 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 1ufg s ARG 53 Cb -0.13 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1ufg s ARG 53 CO -0.13 0.23 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.97 1ufg s LEU 54 N 0.52 1.58 0.11 -0.88 1.43 0.10 -1.49 118.68 120.06 1ufg s LEU 54 Ca 0.06 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1ufg s LEU 54 Cb -0.12 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1ufg s LEU 54 CO 0.00 0.01 -0.25 -0.60 0.23 0.00 0.00 176.35 175.74 1ufg s ARG 55 N 0.86 1.40 0.02 1.70 3.52 -0.44 0.35 118.95 126.35 1ufg s ARG 55 Ca -0.11 -1.25 -0.16 0.00 -0.13 0.00 0.00 55.73 54.08 1ufg s ARG 55 Cb -0.15 -1.78 -0.06 0.00 -1.56 0.00 0.00 34.95 31.40 1ufg s ARG 55 CO 0.01 0.43 0.45 1.21 -0.81 0.00 0.00 175.30 176.59 1ufg s ASN 56 N -1.86 6.87 -0.18 -2.12 3.84 0.60 -0.20 114.94 121.90 1ufg s ASN 56 Ca 0.12 1.03 0.09 0.00 0.21 0.00 0.00 52.86 54.31 1ufg s ASN 56 Cb -0.10 -2.28 -0.17 0.00 -0.55 0.00 0.00 41.25 38.16 1ufg s ASN 56 CO 0.05 0.31 -0.04 0.29 -2.79 0.00 0.00 177.10 174.91 1ufg n LYS 57 N 1.76 1.04 -0.66 0.43 4.76 0.77 -3.32 118.16 122.94 1ufg n LYS 57 Ca -0.13 0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.06 1ufg n LYS 57 Cb 0.52 -1.41 0.22 0.00 -1.84 0.00 0.00 35.03 32.52 1ufg n LYS 57 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ufg s SER 58 N -5.37 1.71 0.00 4.39 1.04 -0.12 -4.73 113.70 110.61 1ufg s SER 58 Ca -0.16 1.68 0.20 0.00 0.48 0.00 0.00 55.95 58.15 1ufg s SER 58 Cb 0.06 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 63.86 1ufg s SER 58 CO 0.57 -3.78 1.04 -0.46 0.98 0.00 0.00 173.24 171.60 1ufg n ASN 59 N -4.65 2.10 -4.51 7.02 6.94 -1.26 -3.22 115.26 117.69 1ufg n ASN 59 Ca 0.06 -1.55 -0.34 0.00 -0.02 0.00 0.00 54.58 52.73 1ufg n ASN 59 Cb 0.54 0.35 -0.12 0.00 -2.36 0.00 0.00 39.78 38.19 1ufg n ASN 59 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1ufg s GLU 60 N -2.11 3.70 -0.08 -3.83 -1.05 -1.26 -4.71 118.70 109.37 1ufg s GLU 60 Ca 0.18 -0.49 -0.40 0.00 -0.15 0.00 0.00 54.97 54.11 1ufg s GLU 60 Cb 0.16 -2.99 -0.18 0.00 -0.44 0.00 0.00 34.13 30.68 1ufg s GLU 60 CO 0.44 0.20 1.32 -0.40 0.95 0.00 0.00 175.26 177.78 1ufg n ASP 61 N 3.67 1.04 -4.52 0.83 5.75 -1.26 -4.42 116.55 117.64 1ufg n ASP 61 Ca -0.17 1.14 -0.39 0.00 -0.01 0.00 0.00 54.79 55.36 1ufg n ASP 61 Cb 0.52 -1.04 -0.11 0.00 -1.03 0.00 0.00 41.12 39.47 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 1.05 3.64 -0.11 0.11 2.00 -0.31 -4.89 119.66 121.16 1ufg s GLN 62 Ca 0.92 -0.52 -0.30 0.00 -2.00 0.00 0.00 55.36 53.46 1ufg s GLN 62 Cb -1.17 -3.64 -0.01 0.00 0.80 0.00 0.00 33.01 28.99 1ufg s GLN 62 CO 0.58 -0.31 1.01 0.45 -0.50 0.00 0.00 175.29 176.52 1ufg s SER 63 N 1.70 7.23 -0.36 6.67 0.15 -1.26 0.49 113.70 128.32 1ufg s SER 63 Ca 0.06 1.53 0.06 0.00 0.70 0.00 0.00 55.95 58.30 1ufg s SER 63 Cb -0.17 -2.56 0.46 0.00 -1.71 0.00 0.00 66.02 62.05 1ufg s SER 63 CO 0.09 -0.46 1.38 0.23 1.20 0.00 0.00 173.24 175.68 1ufg n MET 64 N 5.07 3.22 -1.25 5.44 0.00 0.38 -4.82 117.12 125.16 1ufg n MET 64 Ca 0.09 -3.89 -0.25 0.00 0.00 0.00 0.00 57.70 53.65 1ufg n MET 64 Cb 0.49 -2.22 -0.09 0.00 0.00 0.00 0.00 33.22 31.39 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 -0.80 3.78 0.00 3.03 0.00 -0.91 -3.35 105.19 106.94 1ufg n GLY 65 Ca 0.46 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 2.61 0.00 -4.20 1.61 5.03 -1.24 -4.37 115.26 114.70 1ufg n ASN 66 Ca 0.58 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.66 1ufg n ASN 66 Cb 0.58 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.38 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 -3.31 -4.26 3.10 7.02 -1.21 -4.36 117.44 114.42 1ufg n TRP 67 Ca 0.00 0.24 -0.15 0.00 -1.02 0.00 0.00 57.50 56.57 1ufg n TRP 67 Cb 0.00 -1.64 -0.10 0.00 -2.42 0.00 0.00 31.31 27.15 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 -1.81 1.40 -0.07 -0.99 1.11 0.17 0.41 119.66 119.87 1ufg s GLN 68 Ca 0.52 -1.77 -0.01 0.00 0.01 0.00 0.00 55.36 54.11 1ufg s GLN 68 Cb -0.34 0.13 0.03 0.00 -1.01 0.00 0.00 33.01 31.82 1ufg s GLN 68 CO 0.71 -0.43 -0.01 0.42 0.01 0.00 0.00 175.29 175.99 1ufg s ILE 69 N -3.88 0.46 -0.09 1.08 1.01 0.32 0.26 121.20 120.37 1ufg s ILE 69 Ca 0.38 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 1ufg s ILE 69 Cb 0.06 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1ufg s ILE 69 CO 0.16 0.27 0.33 -0.13 0.00 0.00 0.00 174.94 175.57 1ufg s ARG 70 N 1.85 4.01 -0.04 2.79 0.52 0.16 0.83 118.95 129.08 1ufg s ARG 70 Ca 0.04 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1ufg s ARG 70 Cb -0.12 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.06 1ufg s ARG 70 CO -0.05 0.49 0.03 0.50 0.02 0.00 0.00 175.30 176.29 1ufg s ARG 71 N -0.34 0.14 -0.18 3.54 6.06 0.13 0.02 118.95 128.32 1ufg s ARG 71 Ca 0.20 0.25 -0.03 0.00 -2.50 0.00 0.00 55.73 53.65 1ufg s ARG 71 Cb -0.14 -0.59 0.06 0.00 0.06 0.00 0.00 34.95 34.33 1ufg s ARG 71 CO 0.08 -0.28 0.04 -1.14 -2.50 0.00 0.00 175.30 171.50 1ufg s GLN 72 N 1.84 0.59 -0.04 5.12 -0.44 -0.59 -0.90 119.66 125.24 1ufg s GLN 72 Ca 0.01 -0.36 0.05 0.00 -2.50 0.00 0.00 55.36 52.57 1ufg s GLN 72 Cb -0.12 -2.02 -0.02 0.00 -1.64 0.00 0.00 33.01 29.21 1ufg s GLN 72 CO -0.03 -0.62 -0.20 -0.80 0.50 0.00 0.00 175.29 174.14 1ufg s ASN 73 N 1.89 3.56 0.00 6.67 -0.87 -1.26 -2.48 114.94 122.45 1ufg s ASN 73 Ca -0.00 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 1ufg s ASN 73 Cb -0.17 -0.71 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 1ufg s ASN 73 CO -0.08 0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.38 1ufg n GLY 74 N 2.50 0.78 3.08 0.66 0.00 -0.98 -2.55 105.19 108.69 1ufg n GLY 74 Ca -0.17 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.32 5.47 -4.22 1.61 8.00 -1.26 -4.94 116.55 117.89 1ufg n ASP 75 Ca 0.00 -3.14 -0.22 0.00 0.71 0.00 0.00 54.79 52.14 1ufg n ASP 75 Cb 0.00 -1.44 -0.09 0.00 -0.02 0.00 0.00 41.12 39.56 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 0.76 2.17 -0.33 -2.24 1.11 -1.06 -5.10 116.67 111.99 1ufg s ASP 76 Ca 0.37 -1.52 -0.29 0.00 0.18 0.00 0.00 52.55 51.29 1ufg s ASP 76 Cb 0.04 0.26 0.00 0.00 1.07 0.00 0.00 42.92 44.29 1ufg s ASP 76 CO 0.02 -0.80 1.37 -2.16 1.18 0.00 0.00 175.17 174.77 1ufg s PRO 77 N -3.83 3.79 0.05 8.23 0.04 -1.26 -4.82 135.00 137.20 1ufg s PRO 77 Ca 0.32 1.18 -0.35 0.00 0.04 0.00 0.00 61.00 62.18 1ufg s PRO 77 Cb 0.06 -3.94 -0.14 0.00 0.04 0.00 0.00 34.50 30.51 1ufg s PRO 77 CO 0.15 -1.29 1.60 -0.11 0.04 0.00 0.00 177.00 177.39 1ufg n LEU 78 N 8.11 2.73 -4.58 -3.56 7.94 -1.26 -4.94 117.00 121.44 1ufg n LEU 78 Ca 0.16 1.07 -0.34 0.00 -1.11 0.00 0.00 56.01 55.78 1ufg n LEU 78 Cb 0.47 -1.33 -0.11 0.00 0.53 0.00 0.00 43.42 42.98 1ufg n LEU 78 CO 0.66 -0.45 -0.34 -0.04 -1.11 0.00 0.00 177.39 176.11 1ufg s MET 79 N 1.70 3.34 -0.37 1.96 -1.94 -0.08 -4.96 119.30 118.94 1ufg s MET 79 Ca 0.85 -0.48 0.03 0.00 -1.71 0.00 0.00 55.69 54.39 1ufg s MET 79 Cb -0.79 -2.85 0.11 0.00 2.01 0.00 0.00 34.83 33.31 1ufg s MET 79 CO 0.46 0.45 0.10 0.99 -0.01 0.00 0.00 175.02 177.01 1ufg s THR 80 N -0.21 2.13 -0.59 2.05 2.01 -1.26 0.21 115.64 119.99 1ufg s THR 80 Ca 0.04 -2.43 -0.28 0.00 0.31 0.00 0.00 61.69 59.34 1ufg s THR 80 Cb -0.13 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.85 1ufg s THR 80 CO 0.02 -0.66 1.30 -0.47 -0.69 0.00 0.00 174.62 174.12 1ufg s TYR 81 N 0.74 2.43 -0.39 4.92 5.04 0.25 -4.76 117.35 125.57 1ufg s TYR 81 Ca 0.12 0.40 -0.22 0.00 -2.44 0.00 0.00 57.07 54.93 1ufg s TYR 81 Cb -0.20 -4.47 0.01 0.00 0.35 0.00 0.00 41.96 37.65 1ufg s TYR 81 CO -0.08 -1.81 0.71 0.50 -1.34 0.00 0.00 175.55 173.53 1ufg s ARG 82 N 5.28 3.60 1.07 4.97 3.52 -1.26 0.12 118.95 136.24 1ufg s ARG 82 Ca 0.47 0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.99 1ufg s ARG 82 Cb -0.09 -3.85 0.20 0.00 -1.56 0.00 0.00 34.95 29.64 1ufg s ARG 82 CO 0.24 -0.89 0.85 1.19 -0.81 0.00 0.00 175.30 175.89 1ufg n PHE 83 N 6.33 -0.66 -2.53 5.12 3.72 0.17 -4.95 117.46 124.65 1ufg n PHE 83 Ca 0.01 0.09 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 1ufg n PHE 83 Cb 0.48 -1.78 -0.04 0.00 -0.94 0.00 0.00 39.48 37.20 1ufg n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ufg s PRO 84 N -4.26 4.06 0.00 -1.08 0.04 -1.26 -4.17 135.00 128.32 1ufg s PRO 84 Ca 0.65 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1ufg s PRO 84 Cb -0.22 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1ufg s PRO 84 CO 0.63 -0.23 0.43 -0.35 0.04 0.00 0.00 177.00 177.52 1ufg n PRO 85 N -0.32 0.75 -2.37 0.56 -0.04 -1.26 -2.61 135.00 129.71 1ufg n PRO 85 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1ufg n PRO 85 Cb 0.50 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.04 1.76 -4.68 0.54 4.01 -1.26 -4.69 118.16 113.89 1ufg n LYS 86 Ca 0.00 -3.36 -0.23 0.00 -0.51 0.00 0.00 58.31 54.21 1ufg n LYS 86 Cb 0.16 -1.46 -0.15 0.00 -0.51 0.00 0.00 35.03 33.07 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 -3.12 1.32 -0.09 2.13 5.36 -1.07 -5.02 117.98 117.49 1ufg s PHE 87 Ca 0.33 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.00 1ufg s PHE 87 Cb 0.35 -0.86 0.04 0.00 -0.34 0.00 0.00 43.02 42.22 1ufg s PHE 87 CO -0.05 -0.04 0.09 0.99 -1.46 0.00 0.00 175.22 174.76 1ufg s THR 88 N -0.29 -0.14 -0.73 0.12 2.01 -1.26 -0.47 115.64 114.88 1ufg s THR 88 Ca 0.05 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 62.03 1ufg s THR 88 Cb -0.06 -0.32 0.07 0.00 0.01 0.00 0.00 72.50 72.20 1ufg s THR 88 CO -0.00 0.02 1.08 -0.22 -0.69 0.00 0.00 174.62 174.80 1ufg s LEU 89 N 2.19 4.18 1.04 4.42 2.96 0.18 -4.89 118.68 128.76 1ufg s LEU 89 Ca 0.04 -1.05 -0.20 0.00 -0.22 0.00 0.00 54.13 52.70 1ufg s LEU 89 Cb -0.13 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.12 1ufg s LEU 89 CO -0.06 -1.47 -0.45 0.29 -1.32 0.00 0.00 176.35 173.33 1ufg n LYS 90 N 7.95 -1.15 -2.87 1.98 5.02 -1.26 -1.16 118.16 126.67 1ufg n LYS 90 Ca 0.03 -0.33 -0.40 0.00 -2.02 0.00 0.00 58.31 55.59 1ufg n LYS 90 Cb 0.47 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.12 3.37 0.00 7.82 0.00 -1.26 -3.20 121.76 126.37 1ufg s ALA 91 Ca 0.44 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1ufg s ALA 91 Cb -0.03 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1ufg s ALA 91 CO 0.58 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.94 1ufg n GLY 92 N 1.77 0.45 3.96 0.00 0.00 -1.20 -4.96 105.19 105.21 1ufg n GLY 92 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.62 2.28 0.04 1.61 1.11 -1.19 -4.78 119.66 118.10 1ufg s GLN 93 Ca 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 55.36 54.66 1ufg s GLN 93 Cb 0.00 -2.36 -0.02 0.00 -1.01 0.00 0.00 33.01 29.61 1ufg s GLN 93 CO 0.00 -1.00 0.02 0.54 0.01 0.00 0.00 175.29 174.86 1ufg s VAL 94 N -2.98 0.15 -0.02 1.09 0.11 -1.26 -0.29 120.40 117.21 1ufg s VAL 94 Ca 0.60 -1.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1ufg s VAL 94 Cb -0.10 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1ufg s VAL 94 CO 0.41 -0.70 0.07 0.54 -3.33 0.00 0.00 175.10 172.09 1ufg s VAL 95 N -2.75 0.01 -0.11 2.04 0.11 0.15 -4.77 120.40 115.09 1ufg s VAL 95 Ca -0.04 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1ufg s VAL 95 Cb -0.00 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1ufg s VAL 95 CO -0.06 -0.05 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.58 1ufg s THR 96 N -0.12 2.46 -0.65 5.04 2.01 -0.39 0.00 115.64 123.99 1ufg s THR 96 Ca -0.02 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1ufg s THR 96 Cb -0.01 -1.98 0.16 0.00 0.01 0.00 0.00 72.50 70.68 1ufg s THR 96 CO 0.00 0.55 0.45 -0.63 -0.69 0.00 0.00 174.62 174.30 1ufg s ILE 97 N 0.32 3.39 0.86 1.82 1.09 0.14 0.12 121.20 128.94 1ufg s ILE 97 Ca -0.15 -3.41 -0.11 0.00 -1.10 0.00 0.00 60.65 55.88 1ufg s ILE 97 Cb -0.17 -3.22 0.11 0.00 -1.06 0.00 0.00 42.46 38.12 1ufg s ILE 97 CO 0.08 -0.91 1.09 0.26 -0.10 0.00 0.00 174.94 175.36 1ufg s TRP 98 N -0.55 2.32 -0.08 3.97 0.52 0.21 -1.11 118.94 124.22 1ufg s TRP 98 Ca 0.20 1.41 -0.01 0.00 0.02 0.00 0.00 56.10 57.72 1ufg s TRP 98 Cb -0.17 -3.13 -0.03 0.00 -1.15 0.00 0.00 33.47 28.98 1ufg s TRP 98 CO -0.06 -2.26 0.00 0.00 0.02 0.00 0.00 176.95 174.65 1ufg s ALA 99 N -2.88 3.29 0.32 0.98 0.00 0.30 0.33 121.76 124.10 1ufg s ALA 99 Ca 0.63 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.88 1ufg s ALA 99 Cb -0.18 -1.47 0.98 0.00 0.00 0.00 0.00 23.12 22.45 1ufg s ALA 99 CO 0.57 0.60 1.47 0.45 0.00 0.00 0.00 175.76 178.85 1ufg n SER 100 N 2.06 0.10 0.01 0.00 2.88 0.06 -0.27 113.62 118.46 1ufg n SER 100 Ca -0.18 1.57 -0.09 0.00 -1.33 0.00 0.00 58.87 58.84 1ufg n SER 100 Cb 0.54 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.28 -1.81 0.46 0.00 -1.18 -3.42 103.07 95.84 1ufg h GLY 101 Ca 0.68 0.66 -0.51 0.00 0.00 0.00 0.00 47.33 48.16 1ufg h GLY 101 CO -0.80 -0.37 -0.71 0.00 0.00 0.00 0.00 176.54 174.66 1ufg n ALA 102 N -2.79 -3.03 -1.34 3.60 0.00 0.63 -4.85 120.51 112.72 1ufg n ALA 102 Ca -0.04 -0.79 -0.29 0.00 0.00 0.00 0.00 53.44 52.33 1ufg n ALA 102 Cb 0.22 -1.72 0.03 0.00 0.00 0.00 0.00 19.45 17.97 1ufg n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufg n GLY 103 N 1.64 4.95 0.11 0.00 0.00 -1.26 -4.82 105.19 105.81 1ufg n GLY 103 Ca 0.05 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.08 -0.09 -3.70 4.61 0.00 -1.26 -5.08 120.51 114.91 1ufg n ALA 104 Ca 0.48 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 1ufg n ALA 104 Cb 0.53 -0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.07 -0.20 -0.62 0.00 2.01 -1.26 -5.08 115.64 109.42 1ufg s THR 105 Ca 0.02 0.24 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 1ufg s THR 105 Cb -0.00 -0.36 -0.10 0.00 0.01 0.00 0.00 72.50 72.05 1ufg s THR 105 CO 0.02 0.10 2.41 -2.28 -0.69 0.00 0.00 174.62 174.17 1ufg s HIS 106 N 1.79 1.10 -0.48 4.92 2.46 -1.26 -4.45 115.29 119.37 1ufg s HIS 106 Ca -0.04 1.75 0.08 0.00 0.47 0.00 0.00 55.06 57.32 1ufg s HIS 106 Cb -0.11 -3.52 0.29 0.00 -0.13 0.00 0.00 32.58 29.11 1ufg s HIS 106 CO -0.08 -2.12 0.71 0.43 -2.47 0.00 0.00 174.74 171.22 1ufg n SER 107 N 17.11 1.99 -4.79 9.88 7.64 -0.93 -4.97 113.62 139.56 1ufg n SER 107 Ca 0.41 -3.14 -0.29 0.00 1.01 0.00 0.00 58.87 56.87 1ufg n SER 107 Cb 0.50 -0.63 0.13 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.23 1.15 0.18 1.43 0.04 0.22 0.95 135.00 136.74 1ufg s PRO 108 Ca 0.40 0.29 0.24 0.00 0.04 0.00 0.00 61.00 61.97 1ufg s PRO 108 Cb 0.23 -1.84 0.91 0.00 0.04 0.00 0.00 34.50 33.84 1ufg s PRO 108 CO -0.08 -2.19 1.74 -0.35 0.04 0.00 0.00 177.00 176.15 1ufg n PRO 109 N -3.76 0.18 0.00 0.56 -0.04 -1.26 -4.74 135.00 125.93 1ufg n PRO 109 Ca 0.07 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1ufg n PRO 109 Cb 0.59 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1ufg n PRO 109 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ufg n THR 110 N -2.08 0.00 -2.81 0.52 -2.24 -1.19 -4.69 114.28 101.78 1ufg n THR 110 Ca 0.04 0.80 -0.35 0.00 -2.27 0.00 0.00 64.05 62.26 1ufg n THR 110 Cb 0.31 -1.69 -0.07 0.00 -2.10 0.00 0.00 70.33 66.78 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 -2.21 7.16 0.06 3.42 1.01 0.27 -1.26 116.67 125.13 1ufg s ASP 111 Ca 0.00 1.75 -0.02 0.00 0.71 0.00 0.00 52.55 54.99 1ufg s ASP 111 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1ufg s ASP 111 CO 0.00 -0.18 0.01 -0.76 0.21 0.00 0.00 175.17 174.45 1ufg s LEU 112 N -2.51 2.29 -0.09 1.23 1.43 0.31 0.73 118.68 122.07 1ufg s LEU 112 Ca 0.55 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1ufg s LEU 112 Cb -0.15 0.35 0.02 0.00 0.03 0.00 0.00 46.19 46.45 1ufg s LEU 112 CO 0.19 -0.63 -0.09 -0.69 0.23 0.00 0.00 176.35 175.37 1ufg s VAL 113 N -3.91 1.00 -0.68 -1.59 1.01 -1.26 0.65 120.40 115.62 1ufg s VAL 113 Ca 0.07 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1ufg s VAL 113 Cb 0.07 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.54 1ufg s VAL 113 CO -0.10 0.35 1.00 0.86 0.00 0.00 0.00 175.10 177.21 1ufg s TRP 114 N 1.26 2.66 -0.05 5.22 -0.00 0.15 -4.84 118.94 123.34 1ufg s TRP 114 Ca -0.04 -0.55 -0.20 0.00 -0.00 0.00 0.00 56.10 55.31 1ufg s TRP 114 Cb -0.14 -4.33 -0.31 0.00 -0.00 0.00 0.00 33.47 28.70 1ufg s TRP 114 CO -0.03 -1.68 0.82 -0.22 -0.00 0.00 0.00 176.95 175.84 1ufg h LYS 115 N 9.58 0.32 -0.97 5.86 3.64 -1.96 0.20 116.57 133.24 1ufg h LYS 115 Ca -0.26 -0.54 0.31 0.00 -1.27 0.00 0.00 60.65 58.89 1ufg h LYS 115 Cb 1.07 0.20 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 1ufg h LYS 115 CO 1.19 1.26 0.41 0.00 -2.27 0.00 0.00 179.45 180.04 1ufg h ALA 116 N 0.06 1.73 -1.44 5.00 0.00 -2.01 -3.40 119.26 119.20 1ufg h ALA 116 Ca -0.20 0.23 -0.47 0.00 0.00 0.00 0.00 54.91 54.48 1ufg h ALA 116 Cb 1.74 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1ufg h ALA 116 CO 0.14 -0.62 -0.33 -0.65 0.00 0.00 0.00 179.25 177.79 1ufg s GLN 117 N -5.75 2.62 -0.00 0.00 -1.52 -1.24 -5.03 119.66 108.74 1ufg s GLN 117 Ca -0.11 -1.45 0.06 0.00 -1.95 0.00 0.00 55.36 51.91 1ufg s GLN 117 Cb 0.30 -2.51 -0.08 0.00 -0.22 0.00 0.00 33.01 30.50 1ufg s GLN 117 CO 0.78 -0.25 0.24 0.27 -0.25 0.00 0.00 175.29 176.08 1ufg n ASN 118 N -1.68 1.11 -3.61 5.90 2.04 -1.26 -3.95 115.26 113.80 1ufg n ASN 118 Ca 0.05 -0.49 -0.07 0.00 -0.44 0.00 0.00 54.58 53.64 1ufg n ASN 118 Cb 0.61 1.08 -0.05 0.00 -2.53 0.00 0.00 39.78 38.88 1ufg n ASN 118 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1ufg s THR 119 N -1.82 0.00 0.22 5.53 -1.32 -1.26 -0.71 115.64 116.28 1ufg s THR 119 Ca 0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.48 1ufg s THR 119 Cb 0.05 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1ufg s THR 119 CO 0.26 0.00 1.57 -0.50 -2.21 0.00 0.00 174.62 173.75 1ufg h TRP 120 N 2.58 0.62 0.00 9.09 4.06 -1.67 -3.49 115.95 127.14 1ufg h TRP 120 Ca -0.16 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1ufg h TRP 120 Cb 1.18 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1ufg h TRP 120 CO 0.25 0.88 0.00 0.41 -3.56 0.00 0.00 178.44 176.42 1ufg n GLY 121 N 0.07 4.08 1.32 1.49 0.00 -1.25 -4.81 105.19 106.08 1ufg n GLY 121 Ca -0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 2.79 2.51 0.28 0.00 0.00 -1.26 -4.58 105.19 104.93 1ufg n GLY 123 Ca -0.07 -2.15 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.54 -3.31 1.61 4.64 -1.92 -3.42 113.55 110.61 1ufg h SER 124 Ca 0.00 -0.08 -0.58 0.00 -0.47 0.00 0.00 61.79 60.65 1ufg h SER 124 Cb 0.00 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.15 1ufg h SER 124 CO 0.00 -0.18 0.39 -0.44 -0.87 0.00 0.00 176.83 175.73 1ufg s SER 125 N -4.81 6.89 0.03 4.97 0.01 -1.26 1.00 113.70 120.53 1ufg s SER 125 Ca -0.14 1.10 -0.00 0.00 1.31 0.00 0.00 55.95 58.22 1ufg s SER 125 Cb 0.02 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1ufg s SER 125 CO 0.49 -0.42 -0.03 -0.76 0.41 0.00 0.00 173.24 172.93 1ufg s LEU 126 N 2.34 2.35 -0.28 2.44 1.43 0.26 -2.32 118.68 124.90 1ufg s LEU 126 Ca 0.36 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1ufg s LEU 126 Cb -0.16 0.13 0.09 0.00 0.03 0.00 0.00 46.19 46.27 1ufg s LEU 126 CO 0.11 -0.42 0.69 -0.13 0.23 0.00 0.00 176.35 176.82 1ufg s ARG 127 N -2.51 0.68 0.19 1.70 0.52 -1.04 -0.77 118.95 117.72 1ufg s ARG 127 Ca -0.06 1.25 0.10 0.00 -0.52 0.00 0.00 55.73 56.50 1ufg s ARG 127 Cb -0.02 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 1ufg s ARG 127 CO -0.05 -0.16 -0.20 0.99 0.02 0.00 0.00 175.30 175.91 1ufg s THR 128 N 1.81 2.02 0.09 0.02 2.01 0.16 -1.55 115.64 120.20 1ufg s THR 128 Ca -0.09 -2.03 -0.13 0.00 0.31 0.00 0.00 61.69 59.75 1ufg s THR 128 Cb -0.06 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1ufg s THR 128 CO -0.20 -0.30 0.31 0.00 -0.69 0.00 0.00 174.62 173.74 1ufg s ALA 129 N -2.09 -0.66 -0.08 7.40 0.00 0.10 -0.26 121.76 126.18 1ufg s ALA 129 Ca 0.19 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1ufg s ALA 129 Cb -0.06 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1ufg s ALA 129 CO 0.08 -0.53 -0.19 -1.17 0.00 0.00 0.00 175.76 173.96 1ufg s LEU 130 N -2.56 1.91 0.05 0.00 2.96 0.06 0.40 118.68 121.49 1ufg s LEU 130 Ca 0.01 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1ufg s LEU 130 Cb 0.02 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1ufg s LEU 130 CO -0.09 0.12 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.37 1ufg s ILE 131 N 0.41 3.65 0.07 6.68 -1.09 0.14 -0.79 121.20 130.27 1ufg s ILE 131 Ca -0.15 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.33 1ufg s ILE 131 Cb -0.16 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.07 1ufg s ILE 131 CO 0.06 0.26 0.09 -0.46 -1.23 0.00 0.00 174.94 173.66 1ufg n ASN 132 N 1.12 0.37 -0.32 3.58 0.23 -0.55 0.42 115.26 120.10 1ufg n ASN 132 Ca -0.14 -1.19 -0.03 0.00 -0.53 0.00 0.00 54.58 52.69 1ufg n ASN 132 Cb 0.52 -0.05 0.01 0.00 -2.08 0.00 0.00 39.78 38.18 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 -2.81 -0.60 -4.88 0.53 3.41 -1.26 -4.32 113.62 103.68 1ufg n SER 133 Ca 0.02 1.43 -0.30 0.00 -0.26 0.00 0.00 58.87 59.76 1ufg n SER 133 Cb 0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1ufg n SER 133 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ufg s THR 134 N -5.69 4.78 -0.65 6.66 -4.23 -1.26 -4.80 115.64 110.45 1ufg s THR 134 Ca -0.11 0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1ufg s THR 134 Cb 0.15 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1ufg s THR 134 CO 0.56 -0.98 1.84 0.61 -0.54 0.00 0.00 174.62 176.12 1ufg n GLY 135 N -2.43 2.71 2.99 3.99 0.00 -1.26 -4.75 105.19 106.44 1ufg n GLY 135 Ca 0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 3.69 0.35 0.17 1.61 2.12 -1.26 -5.03 118.70 120.34 1ufg s GLU 136 Ca 0.30 -0.50 -0.17 0.00 0.36 0.00 0.00 54.97 54.96 1ufg s GLU 136 Cb 0.08 -0.12 -0.07 0.00 0.26 0.00 0.00 34.13 34.28 1ufg s GLU 136 CO -0.02 0.01 0.62 -2.00 -0.54 0.00 0.00 175.26 173.33 1ufg s GLU 137 N -1.07 4.12 -0.10 4.30 -6.30 -1.26 -1.49 118.70 116.91 1ufg s GLU 137 Ca -0.09 0.68 0.04 0.00 -2.50 0.00 0.00 54.97 53.10 1ufg s GLU 137 Cb -0.07 -2.95 -0.09 0.00 0.00 0.00 0.00 34.13 31.02 1ufg s GLU 137 CO -0.00 0.47 -0.03 1.33 0.02 0.00 0.00 175.26 177.04 1ufg n VAL 138 N 0.89 0.59 -3.85 3.70 0.24 0.03 -4.93 118.33 115.01 1ufg n VAL 138 Ca -0.05 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 61.87 1ufg n VAL 138 Cb 0.51 -0.83 -0.07 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 -2.21 -0.26 0.03 2.33 0.00 -1.24 0.19 121.76 120.60 1ufg s ALA 139 Ca -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1ufg s ALA 139 Cb 0.03 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1ufg s ALA 139 CO 0.29 -0.48 0.04 0.00 0.00 0.00 0.00 175.76 175.62 1ufg s MET 140 N -3.60 0.49 -0.32 0.00 0.23 0.11 -0.76 119.30 115.46 1ufg s MET 140 Ca 0.03 -0.74 -0.02 0.00 -1.03 0.00 0.00 55.69 53.93 1ufg s MET 140 Cb 0.04 0.19 0.12 0.00 -1.53 0.00 0.00 34.83 33.64 1ufg s MET 140 CO -0.10 -0.11 0.17 0.50 -2.03 0.00 0.00 175.02 173.46 1ufg s ARG 141 N -2.30 0.34 0.32 3.16 3.52 0.64 0.14 118.95 124.77 1ufg s ARG 141 Ca -0.08 -0.86 -0.17 0.00 -0.13 0.00 0.00 55.73 54.50 1ufg s ARG 141 Cb -0.03 -1.20 -0.09 0.00 -1.56 0.00 0.00 34.95 32.07 1ufg s ARG 141 CO -0.04 -1.10 0.76 0.21 -0.81 0.00 0.00 175.30 174.33 1ufg s LYS 142 N 1.67 4.09 -0.30 5.12 2.36 -0.16 -0.66 119.74 131.86 1ufg s LYS 142 Ca 0.13 0.77 0.04 0.00 -2.55 0.00 0.00 55.97 54.37 1ufg s LYS 142 Cb -0.19 -2.50 0.18 0.00 -1.05 0.00 0.00 37.83 34.28 1ufg s LYS 142 CO -0.21 0.18 0.51 -0.51 1.55 0.00 0.00 175.35 176.88 1ufg s LEU 143 N -2.79 -1.23 -0.09 5.43 1.43 0.05 -0.74 118.68 120.73 1ufg s LEU 143 Ca 0.53 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1ufg s LEU 143 Cb -0.11 1.60 0.00 0.00 0.03 0.00 0.00 46.19 47.71 1ufg s LEU 143 CO 0.18 -0.31 -0.20 -0.69 0.23 0.00 0.00 176.35 175.55 1ufg s VAL 144 N 2.60 1.77 -0.01 -1.59 1.01 -1.25 0.90 120.40 123.83 1ufg s VAL 144 Ca 0.10 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 1ufg s VAL 144 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1ufg s VAL 144 CO -0.26 0.50 0.85 -0.60 0.00 0.00 0.00 175.10 175.59 1ufg s ARG 145 N 0.43 4.52 -0.45 2.72 3.52 0.28 0.22 118.95 130.19 1ufg s ARG 145 Ca -0.17 1.18 -0.27 0.00 -0.13 0.00 0.00 55.73 56.34 1ufg s ARG 145 Cb -0.17 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1ufg s ARG 145 CO 0.07 0.05 1.89 0.45 -0.81 0.00 0.00 175.30 176.95 1ufg s SER 146 N 0.74 5.51 0.10 -2.12 0.15 -1.26 -4.70 113.70 112.11 1ufg s SER 146 Ca 0.45 0.94 -0.16 0.00 0.70 0.00 0.00 55.95 57.88 1ufg s SER 146 Cb -0.20 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1ufg s SER 146 CO 0.24 -2.08 0.38 -0.83 1.20 0.00 0.00 173.24 172.15 1ufg s GLY 147 N 7.50 -0.24 0.07 9.45 0.00 -1.26 -5.11 107.32 117.73 1ufg s GLY 147 Ca 0.77 -0.00 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 1ufg s GLY 147 CO 0.28 -0.25 1.16 2.56 0.00 0.00 0.00 173.10 176.85 1ufg s PRO 148 N -3.42 4.46 0.07 2.90 0.04 -1.26 -4.91 135.00 132.88 1ufg s PRO 148 Ca 0.01 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 1ufg s PRO 148 Cb 0.01 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 1ufg s PRO 148 CO -0.09 -0.20 -0.00 0.45 0.04 0.00 0.00 177.00 177.20 1ufg n SER 149 N 3.74 0.85 -2.91 6.66 2.88 -1.26 -5.10 113.62 118.49 1ufg n SER 149 Ca 0.08 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.62 1ufg n SER 149 Cb 0.47 -0.26 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1ufg n SER 149 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ufg n SER 150 N -3.38 -7.71 0.00 -3.46 2.88 -1.26 -5.34 113.62 95.35 1ufg n SER 150 Ca -0.00 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1ufg n SER 150 Cb 0.12 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 58.59 1ufg n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42