#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b s ARG 2 N 0.00 4.41 0.95 2.12 3.52 -1.26 -4.94 118.95 123.75 3e1b s ARG 2 Ca 0.00 0.83 -0.16 0.00 -0.13 0.00 0.00 55.73 56.27 3e1b s ARG 2 Cb 0.00 -3.46 0.22 0.00 -1.56 0.00 0.00 34.95 30.15 3e1b s ARG 2 CO 0.00 0.04 1.26 1.28 -0.81 0.00 0.00 175.30 177.06 3e1b n LEU 3 N 3.91 0.00 -0.08 -0.88 4.77 -1.26 -4.99 117.00 118.47 3e1b n LEU 3 Ca -0.01 -1.38 0.01 0.00 -0.03 0.00 0.00 56.01 54.60 3e1b n LEU 3 Cb 0.51 -0.97 0.31 0.00 -2.33 0.00 0.00 43.42 40.94 3e1b n LEU 3 CO 0.47 -1.45 1.10 -1.13 -1.33 0.00 0.00 177.39 175.05 3e1b h ASN 4 N -1.73 0.62 0.00 -1.43 -0.73 -1.99 -2.65 115.58 107.67 3e1b h ASN 4 Ca -0.41 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 57.71 3e1b h ASN 4 Cb 1.14 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.57 3e1b h ASN 4 CO 0.29 0.53 0.00 1.07 -0.37 0.00 0.00 177.43 178.95 3e1b n THR 5 N -4.39 0.00 0.00 -3.57 5.66 -1.26 -4.80 114.28 105.92 3e1b n THR 5 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3e1b n THR 5 Cb 0.12 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 3e1b n THR 5 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3e1b n LEU 6 N -0.62 0.00 -4.03 1.09 0.00 -1.00 -4.92 117.00 107.51 3e1b n LEU 6 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 3e1b n LEU 6 Cb 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 43.42 43.19 3e1b n LEU 6 CO 0.00 0.00 -0.41 -0.55 0.00 0.00 0.00 177.39 176.43 3e1b s SER 7 N -3.16 0.83 0.50 1.96 0.15 -1.26 -5.00 113.70 107.72 3e1b s SER 7 Ca 0.00 -0.40 0.27 0.00 0.70 0.00 0.00 55.95 56.52 3e1b s SER 7 Cb 0.00 -0.00 1.27 0.00 -1.71 0.00 0.00 66.02 65.58 3e1b s SER 7 CO 0.00 -0.11 1.98 -0.65 1.20 0.00 0.00 173.24 175.66 3e1b h PRO 8 N 4.99 0.00 0.00 5.44 0.11 -1.92 -3.42 132.00 137.20 3e1b h PRO 8 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3e1b h PRO 8 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3e1b h PRO 8 CO 0.44 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3e1b n ALA 9 N -2.24 0.00 0.01 -0.75 0.00 -1.26 -4.81 120.51 111.46 3e1b n ALA 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3e1b n ALA 9 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3e1b n ALA 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3e1b n GLU 10 N -1.14 0.52 0.00 0.00 0.28 -1.26 -4.73 120.64 114.32 3e1b n GLU 10 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3e1b n GLU 10 Cb 0.00 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 31.63 3e1b n GLU 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3e1b n GLY 11 N 1.39 1.81 0.73 -1.84 0.00 -1.26 -5.17 105.19 100.86 3e1b n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1b n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3e1b n SER 12 N 0.00 -3.56 -0.15 1.61 2.88 -1.26 -4.82 113.62 108.32 3e1b n SER 12 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 3e1b n SER 12 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 3e1b n SER 12 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3e1b n LYS 13 N 0.24 0.00 -1.96 -1.46 4.76 -1.26 -4.83 118.16 113.65 3e1b n LYS 13 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 3e1b n LYS 13 Cb 0.00 -0.95 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 3e1b n LYS 13 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3e1b s LYS 14 N -1.17 3.49 -0.01 1.97 1.02 -1.26 -4.91 119.74 118.87 3e1b s LYS 14 Ca 0.00 1.64 0.12 0.00 0.02 0.00 0.00 55.97 57.76 3e1b s LYS 14 Cb 0.00 -4.17 -0.17 0.00 -0.52 0.00 0.00 37.83 32.97 3e1b s LYS 14 CO 0.00 -1.67 0.36 0.00 -0.92 0.00 0.00 175.35 173.12 3e1b n ALA 15 N 9.77 2.86 0.00 5.17 0.00 -1.26 -4.98 120.51 132.06 3e1b n ALA 15 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3e1b n ALA 15 Cb 0.46 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3e1b n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 16 N 1.61 -0.19 4.78 0.00 0.00 -1.26 -5.05 105.19 105.08 3e1b n GLY 16 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3e1b n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1b n LYS 17 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.81 118.16 117.71 3e1b n LYS 17 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3e1b n LYS 17 Cb 0.00 -3.99 0.00 0.00 -0.51 0.00 0.00 35.03 30.53 3e1b n LYS 17 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 3e1b n ARG 18 N -2.00 0.00 -2.71 1.97 0.00 -1.26 -5.12 116.66 107.55 3e1b n ARG 18 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 3e1b n ARG 18 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 32.46 32.52 3e1b n ARG 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3e1b n LEU 19 N 0.00 0.42 0.00 2.89 0.00 -1.26 -4.94 117.00 114.10 3e1b n LEU 19 Ca 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 56.01 52.55 3e1b n LEU 19 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 43.42 43.73 3e1b n LEU 19 CO 0.00 1.54 -0.12 0.61 0.00 0.00 0.00 177.39 179.42 3e1b n GLY 20 N -0.45 0.26 3.00 -3.96 0.00 -1.26 -5.10 105.19 97.69 3e1b n GLY 20 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3e1b n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1b n ARG 21 N -0.45 0.83 -0.68 1.61 0.63 -1.26 -5.10 116.66 112.25 3e1b n ARG 21 Ca 0.00 -1.97 -0.10 0.00 -0.92 0.00 0.00 57.85 54.86 3e1b n ARG 21 Cb 0.00 2.27 -0.10 0.00 0.45 0.00 0.00 32.46 35.08 3e1b n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3e1b n GLY 22 N -0.45 -0.22 3.65 5.14 0.00 -1.26 -4.87 105.19 107.18 3e1b n GLY 22 Ca -0.05 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3e1b n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3e1b s ILE 23 N 0.00 3.84 0.00 -0.61 -1.09 -1.26 -4.82 121.20 117.26 3e1b s ILE 23 Ca 0.58 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 3e1b s ILE 23 Cb -0.37 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 3e1b s ILE 23 CO 0.25 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 3e1b n GLY 24 N 4.19 -0.86 0.51 6.18 0.00 -1.26 -4.36 105.19 109.59 3e1b n GLY 24 Ca 0.17 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 45.19 3e1b n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3e1b n SER 25 N -1.58 1.99 0.00 1.61 7.64 -1.26 -5.00 113.62 117.02 3e1b n SER 25 Ca 0.00 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.39 3e1b n SER 25 Cb 0.00 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3e1b n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1b n GLY 26 N 1.40 0.75 2.63 0.23 0.00 -1.26 -5.02 105.19 103.92 3e1b n GLY 26 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3e1b n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3e1b n LEU 27 N 0.00 7.51 -3.27 0.99 4.77 -1.26 -4.15 117.00 121.59 3e1b n LEU 27 Ca 0.00 -5.09 -0.06 0.00 -0.03 0.00 0.00 56.01 50.82 3e1b n LEU 27 Cb 0.00 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 39.76 3e1b n LEU 27 CO 0.00 1.96 -0.03 -0.83 -1.33 0.00 0.00 177.39 177.17 3e1b s GLY 28 N -0.46 -0.72 0.36 -0.72 0.00 -1.26 -4.40 107.32 100.12 3e1b s GLY 28 Ca 0.45 0.16 0.25 0.00 0.00 0.00 0.00 44.72 45.57 3e1b s GLY 28 CO -0.08 3.21 1.69 1.70 0.00 0.00 0.00 173.10 179.62 3e1b h LYS 29 N 7.75 0.00 -2.78 2.90 3.64 -2.07 -3.50 116.57 122.51 3e1b h LYS 29 Ca -0.03 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3e1b h LYS 29 Cb 1.13 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.86 3e1b h LYS 29 CO 0.21 0.00 0.31 0.95 -2.27 0.00 0.00 179.45 178.64 3e1b s THR 30 N -3.20 0.00 0.00 1.00 -4.23 -1.26 -5.21 115.64 102.74 3e1b s THR 30 Ca 0.08 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 3e1b s THR 30 Cb 0.08 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.39 3e1b s THR 30 CO 0.63 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 3e1b n GLY 31 N -0.41 4.17 0.00 3.99 0.00 -1.26 -4.65 105.19 107.04 3e1b n GLY 31 Ca -0.09 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3e1b n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 32 N 1.84 -0.61 3.54 -0.02 0.00 -1.26 -4.96 105.19 103.72 3e1b n GLY 32 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3e1b n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1b s ARG 33 N -0.15 3.30 5.54 1.61 0.52 -1.26 -4.94 118.95 123.57 3e1b s ARG 33 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3e1b s ARG 33 Cb 0.00 -4.52 0.00 0.00 0.52 0.00 0.00 34.95 30.95 3e1b s ARG 33 CO 0.00 -2.11 0.00 0.41 0.02 0.00 0.00 175.30 173.62 3e1b n GLY 34 N 5.76 2.41 2.41 -3.53 0.00 -1.26 -4.39 105.19 106.59 3e1b n GLY 34 Ca 0.11 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 3e1b n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3e1b n HIS 35 N 13.38 0.67 -2.03 1.61 8.25 -1.26 -5.03 115.22 130.81 3e1b n HIS 35 Ca 0.00 -3.69 -0.30 0.00 -0.26 0.00 0.00 57.72 53.47 3e1b n HIS 35 Cb 0.00 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 3e1b n HIS 35 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3e1b s LYS 36 N -1.02 2.55 2.04 -0.41 1.02 -1.26 -4.69 119.74 117.96 3e1b s LYS 36 Ca 0.34 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.36 3e1b s LYS 36 Cb 0.09 -4.83 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 3e1b s LYS 36 CO -0.13 -3.19 0.00 0.41 -0.92 0.00 0.00 175.35 171.52 3e1b n GLY 37 N 6.47 -1.00 3.84 -3.33 0.00 -1.26 -4.99 105.19 104.92 3e1b n GLY 37 Ca 0.34 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 3e1b n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3e1b s GLN 38 N 0.00 3.36 0.69 1.61 -0.21 -1.26 -4.98 119.66 118.86 3e1b s GLN 38 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 55.36 56.31 3e1b s GLN 38 Cb 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.96 3e1b s GLN 38 CO 0.00 -0.77 0.00 1.63 -2.12 0.00 0.00 175.29 174.03 3e1b n LYS 39 N -2.61 -0.61 -1.23 2.91 5.02 -1.26 -4.16 118.16 116.21 3e1b n LYS 39 Ca 0.07 0.40 -0.37 0.00 -2.02 0.00 0.00 58.31 56.40 3e1b n LYS 39 Cb 0.54 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.77 3e1b n LYS 39 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3e1b n SER 40 N -3.85 8.24 0.00 4.39 7.64 -0.94 -4.77 113.62 124.33 3e1b n SER 40 Ca 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.34 3e1b n SER 40 Cb 0.14 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 3e1b n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3e1b n ARG 41 N 3.68 0.00 0.00 1.43 3.00 -1.26 -2.74 116.66 120.77 3e1b n ARG 41 Ca 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.58 3e1b n ARG 41 Cb 0.22 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.92 3e1b n ARG 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3e1b n SER 42 N 0.22 0.00 -2.78 0.55 2.88 -1.26 -5.05 113.62 108.19 3e1b n SER 42 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 3e1b n SER 42 Cb 0.00 0.12 0.08 0.00 -0.75 0.00 0.00 64.21 63.65 3e1b n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3e1b n GLY 43 N -1.47 -1.06 7.00 0.46 0.00 -1.11 -5.01 105.19 104.00 3e1b n GLY 43 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3e1b n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 44 N 1.62 -0.06 0.00 -0.02 0.00 -1.26 -2.21 105.19 103.26 3e1b n GLY 44 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3e1b n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 45 N 0.00 1.28 0.00 -0.02 0.00 -1.26 -4.83 105.19 100.36 3e1b n GLY 45 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3e1b n GLY 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3e1b n VAL 46 N -1.07 0.00 -4.41 1.61 3.14 -1.26 -5.06 118.33 111.28 3e1b n VAL 46 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 3e1b n VAL 46 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3e1b n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1b s ARG 47 N -1.00 2.81 -0.05 1.45 3.03 -1.26 -5.05 118.95 118.87 3e1b s ARG 47 Ca 0.00 -0.55 -0.18 0.00 2.03 0.00 0.00 55.73 57.03 3e1b s ARG 47 Cb 0.00 -2.67 -0.13 0.00 -1.03 0.00 0.00 34.95 31.13 3e1b s ARG 47 CO 0.00 0.65 0.73 0.00 -1.13 0.00 0.00 175.30 175.56 3e1b h ARG 48 N 4.80 -0.28 -3.52 3.89 -0.00 -2.09 -3.44 114.38 113.73 3e1b h ARG 48 Ca -0.49 0.02 -0.71 0.00 -0.50 0.00 0.00 59.98 58.29 3e1b h ARG 48 Cb 1.18 0.06 -0.34 0.00 0.00 0.00 0.00 29.97 30.87 3e1b h ARG 48 CO 0.55 0.05 -0.20 0.20 0.00 0.00 0.00 179.97 180.57 3e1b s GLY 49 N -3.21 2.72 0.00 0.04 0.00 -1.26 -5.01 107.32 100.60 3e1b s GLY 49 Ca -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 44.72 41.15 3e1b s GLY 49 CO 0.37 1.16 0.00 0.33 0.00 0.00 0.00 173.10 174.96 3e1b n PHE 50 N 3.18 -0.17 0.28 1.90 -0.00 -1.26 -5.09 117.46 116.30 3e1b n PHE 50 Ca 0.13 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.76 3e1b n PHE 50 Cb 0.39 0.00 0.72 0.00 -0.00 0.00 0.00 39.48 40.58 3e1b n PHE 50 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 3e1b h GLU 51 N 0.00 0.00 -5.25 -4.13 4.11 -2.01 -3.48 114.58 103.82 3e1b h GLU 51 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 3e1b h GLU 51 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3e1b h GLU 51 CO 0.00 0.01 -0.69 0.41 0.07 0.00 0.00 179.01 178.81 3e1b n GLY 52 N -0.05 -0.26 3.33 1.06 0.00 -1.26 -4.82 105.19 103.20 3e1b n GLY 52 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 3e1b n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3e1b s GLY 53 N -1.58 -0.30 -0.40 -0.02 0.00 -1.26 -5.05 107.32 98.71 3e1b s GLY 53 Ca 0.13 0.35 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 3e1b s GLY 53 CO 0.52 0.08 0.20 -0.18 0.00 0.00 0.00 173.10 173.73 3e1b n GLN 54 N 0.47 -0.80 0.24 2.90 0.00 -1.26 -4.84 117.38 114.09 3e1b n GLN 54 Ca -0.18 -0.32 0.13 0.00 -0.00 0.00 0.00 57.00 56.63 3e1b n GLN 54 Cb 0.60 -0.21 0.51 0.00 0.00 0.00 0.00 30.24 31.14 3e1b n GLN 54 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 3e1b h MET 55 N 1.18 0.00 -0.33 3.69 1.85 -1.97 -3.40 114.93 115.95 3e1b h MET 55 Ca -0.23 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 58.89 3e1b h MET 55 Cb 0.45 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.44 3e1b h MET 55 CO 0.17 0.11 -0.20 -2.30 -0.40 0.00 0.00 176.91 174.30 3e1b n PRO 56 N -3.23 -0.15 -0.20 0.39 -0.02 -1.26 -2.76 135.00 127.77 3e1b n PRO 56 Ca 0.01 1.06 0.02 0.00 -2.02 0.00 0.00 63.50 62.57 3e1b n PRO 56 Cb 0.40 -1.58 0.27 0.00 -0.02 0.00 0.00 33.50 32.57 3e1b n PRO 56 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3e1b h LEU 57 N 0.00 0.82 -0.52 2.45 4.07 -1.97 -1.70 115.31 118.46 3e1b h LEU 57 Ca 0.05 -0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.83 3e1b h LEU 57 Cb 0.14 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3e1b h LEU 57 CO -0.31 0.58 -0.68 1.88 -1.08 0.00 0.00 178.44 178.83 3e1b h TYR 58 N 0.96 0.39 0.00 1.13 -1.99 -1.82 -3.45 116.97 112.19 3e1b h TYR 58 Ca 0.28 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.84 3e1b h TYR 58 Cb -0.05 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.62 3e1b h TYR 58 CO -0.00 0.88 0.00 2.89 -0.00 0.00 0.00 178.16 181.93 3e1b n ARG 59 N -3.83 0.00 -0.02 4.88 1.85 -1.19 -5.06 116.66 113.29 3e1b n ARG 59 Ca -0.03 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.90 3e1b n ARG 59 Cb 0.67 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.92 3e1b n ARG 59 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3e1b n ARG 60 N -0.26 0.65 0.08 2.89 0.63 -0.72 -4.53 116.66 115.41 3e1b n ARG 60 Ca 0.00 -0.17 -0.15 0.00 -0.92 0.00 0.00 57.85 56.61 3e1b n ARG 60 Cb 0.00 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.28 3e1b n ARG 60 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 3e1b h LEU 61 N 0.00 0.36-10.42 6.15 8.10 -1.64 -3.48 115.31 114.38 3e1b h LEU 61 Ca -0.06 -0.43 -0.45 0.00 0.11 0.00 0.00 57.88 57.06 3e1b h LEU 61 Cb 1.07 -0.12 0.16 0.00 -0.44 0.00 0.00 40.66 41.33 3e1b h LEU 61 CO 0.00 1.34 0.22 -2.84 -4.11 0.00 0.00 178.44 173.05 3e1b s PRO 62 N -2.65 0.30 0.26 0.17 0.02 -1.26 -5.08 135.00 126.76 3e1b s PRO 62 Ca -0.05 0.31 0.01 0.00 0.02 0.00 0.00 61.00 61.29 3e1b s PRO 62 Cb 0.07 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.80 3e1b s PRO 62 CO 0.87 -2.77 0.11 0.21 -0.33 0.00 0.00 177.00 175.08 3e1b s LYS 63 N -5.16 1.43 0.04 5.54 2.36 -1.26 -5.17 119.74 117.52 3e1b s LYS 63 Ca 0.66 -1.78 -0.09 0.00 -2.55 0.00 0.00 55.97 52.21 3e1b s LYS 63 Cb -0.16 -0.22 0.00 0.00 -1.05 0.00 0.00 37.83 36.41 3e1b s LYS 63 CO 0.56 -0.32 0.19 0.12 1.55 0.00 0.00 175.35 177.45 3e1b s PHE 64 N -3.75 0.07 0.21 4.03 2.19 -1.26 -5.17 117.98 114.30 3e1b s PHE 64 Ca 0.38 -0.30 -0.32 0.00 0.33 0.00 0.00 56.93 57.01 3e1b s PHE 64 Cb 0.07 -0.04 -0.14 0.00 -1.31 0.00 0.00 43.02 41.61 3e1b s PHE 64 CO 0.14 -0.43 1.48 0.41 1.83 0.00 0.00 175.22 178.65 3e1b n GLY 65 N 0.67 0.93 0.00 13.12 0.00 -1.26 -4.95 105.19 113.70 3e1b n GLY 65 Ca -0.19 0.56 0.08 0.00 0.00 0.00 0.00 46.02 46.47 3e1b n GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3e1b n PHE 66 N 2.50 0.00 -1.51 1.61 3.01 -1.26 -4.96 117.46 116.85 3e1b n PHE 66 Ca 0.14 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.13 3e1b n PHE 66 Cb 0.30 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.27 3e1b n PHE 66 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3e1b n THR 67 N -1.45 0.21 -4.48 4.37 -1.04 -1.26 -4.93 114.28 105.69 3e1b n THR 67 Ca 0.05 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 61.45 3e1b n THR 67 Cb 0.17 -2.04 -0.09 0.00 -1.82 0.00 0.00 70.33 66.55 3e1b n THR 67 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3e1b s SER 68 N 8.20 2.55 0.38 8.00 0.01 -1.26 -5.16 113.70 126.42 3e1b s SER 68 Ca 1.06 -1.55 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 3e1b s SER 68 Cb -0.63 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 3e1b s SER 68 CO 0.42 -0.81 0.68 -0.13 0.41 0.00 0.00 173.24 173.82 3e1b s ARG 69 N -3.80 3.65 0.00 12.44 0.52 -1.26 -5.02 118.95 125.48 3e1b s ARG 69 Ca 0.29 0.19 0.25 0.00 -0.52 0.00 0.00 55.73 55.93 3e1b s ARG 69 Cb 0.05 -2.49 1.49 0.00 0.52 0.00 0.00 34.95 34.51 3e1b s ARG 69 CO 0.15 0.02 1.87 0.36 0.02 0.00 0.00 175.30 177.71 3e1b n LYS 70 N -1.45 0.83 -4.29 3.54 2.85 -1.26 -4.94 118.16 113.45 3e1b n LYS 70 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 3e1b n LYS 70 Cb 0.54 -1.47 -0.09 0.00 -0.65 0.00 0.00 35.03 33.37 3e1b n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1b s ALA 71 N -2.00 1.78 0.00 0.58 0.00 -1.26 -5.11 121.76 115.75 3e1b s ALA 71 Ca 0.37 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.45 3e1b s ALA 71 Cb 0.17 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.65 3e1b s ALA 71 CO 0.29 -0.60 0.67 0.00 0.00 0.00 0.00 175.76 176.11 3e1b n ALA 72 N -0.55 -0.31 -2.94 0.00 0.00 -1.26 -5.00 120.51 110.45 3e1b n ALA 72 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 3e1b n ALA 72 Cb 0.64 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.97 3e1b n ALA 72 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3e1b s ILE 73 N -2.18 0.13 0.14 0.00 -5.25 -1.26 -5.11 121.20 107.67 3e1b s ILE 73 Ca 0.00 -0.69 -0.02 0.00 -0.99 0.00 0.00 60.65 58.95 3e1b s ILE 73 Cb 0.00 -0.23 -0.04 0.00 2.95 0.00 0.00 42.46 45.14 3e1b s ILE 73 CO 0.00 -0.36 0.09 0.28 -1.79 0.00 0.00 174.94 173.16 3e1b s THR 74 N -1.08 0.09 0.00 8.37 -1.32 -1.26 -5.01 115.64 115.42 3e1b s THR 74 Ca -0.11 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 3e1b s THR 74 Cb -0.07 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 3e1b s THR 74 CO -0.01 -0.40 0.00 0.00 -2.21 0.00 0.00 174.62 172.01 3e1b n ALA 75 N -0.13 0.00 -1.84 11.08 0.00 -1.26 -4.91 120.51 123.45 3e1b n ALA 75 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 3e1b n ALA 75 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 3e1b n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3e1b s GLU 76 N 0.00 4.19 0.00 0.00 0.41 -1.26 -4.58 118.70 117.47 3e1b s GLU 76 Ca 0.00 2.43 0.00 0.00 -0.41 0.00 0.00 54.97 56.99 3e1b s GLU 76 Cb 0.00 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 3e1b s GLU 76 CO 0.00 -0.57 0.00 1.51 -0.49 0.00 0.00 175.26 175.71 3e1b n ILE 77 N 2.98 0.00 -4.61 -1.63 0.13 -1.26 -4.91 119.36 110.06 3e1b n ILE 77 Ca 0.10 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.47 3e1b n ILE 77 Cb 0.38 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 39.10 3e1b n ILE 77 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3e1b s ARG 78 N 3.07 2.02 0.00 9.51 1.70 -1.26 -5.08 118.95 128.91 3e1b s ARG 78 Ca 0.00 -2.25 0.00 0.00 -0.47 0.00 0.00 55.73 53.01 3e1b s ARG 78 Cb 0.00 -1.03 0.00 0.00 -0.57 0.00 0.00 34.95 33.35 3e1b s ARG 78 CO 0.00 -0.40 0.00 1.28 -1.08 0.00 0.00 175.30 175.10 3e1b n LEU 79 N -1.04 0.00 -2.16 -1.89 4.32 -1.26 -3.96 117.00 111.01 3e1b n LEU 79 Ca -0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.87 3e1b n LEU 79 Cb 0.66 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.45 3e1b n LEU 79 CO 0.37 -0.08 0.38 -1.54 -1.22 0.00 0.00 177.39 175.30 3e1b n SER 80 N -0.50 0.73 -0.00 -1.43 3.41 -1.17 -1.61 113.62 113.03 3e1b n SER 80 Ca 0.00 -1.40 0.10 0.00 -0.26 0.00 0.00 58.87 57.31 3e1b n SER 80 Cb 0.00 -0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 3e1b n SER 80 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3e1b n ASP 81 N 2.39 0.76 -4.59 4.04 5.75 -1.26 -4.44 116.55 119.20 3e1b n ASP 81 Ca 0.03 -0.73 -0.57 0.00 -0.01 0.00 0.00 54.79 53.51 3e1b n ASP 81 Cb 0.10 1.25 -0.08 0.00 -1.03 0.00 0.00 41.12 41.36 3e1b n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3e1b n LEU 82 N -1.68 2.09 -2.26 -2.12 -0.00 -0.64 -0.67 117.00 111.73 3e1b n LEU 82 Ca 0.02 0.86 -0.26 0.00 -0.00 0.00 0.00 56.01 56.63 3e1b n LEU 82 Cb 0.38 -1.13 0.01 0.00 -0.00 0.00 0.00 43.42 42.68 3e1b n LEU 82 CO 0.42 -0.56 0.19 0.00 -0.00 0.00 0.00 177.39 177.44 3e1b n ALA 83 N 6.76 5.05 -0.27 1.96 0.00 -1.26 -4.49 120.51 128.25 3e1b n ALA 83 Ca 0.34 -4.07 -0.03 0.00 0.00 0.00 0.00 53.44 49.68 3e1b n ALA 83 Cb 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 19.45 19.16 3e1b n ALA 83 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3e1b h LYS 84 N 2.39 -0.09 -0.03 0.00 3.64 -1.26 0.35 116.57 121.56 3e1b h LYS 84 Ca 0.33 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3e1b h LYS 84 Cb 1.22 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3e1b h LYS 84 CO 0.81 -0.06 -0.02 0.28 -2.27 0.00 0.00 179.45 178.19 3e1b h VAL 85 N -0.10 1.34 0.00 2.00 2.07 -1.96 -3.16 116.25 116.44 3e1b h VAL 85 Ca 0.28 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3e1b h VAL 85 Cb 0.57 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3e1b h VAL 85 CO -0.80 0.28 0.00 -0.62 0.02 0.00 0.00 177.57 176.45 3e1b n GLU 86 N -4.84 0.34 -1.49 1.57 4.71 -1.15 -4.87 120.64 114.91 3e1b n GLU 86 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.03 3e1b n GLU 86 Cb 0.24 -1.41 -0.01 0.00 -1.01 0.00 0.00 31.44 29.26 3e1b n GLU 86 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3e1b n GLY 87 N -0.30 0.48 2.59 0.62 0.00 -1.13 -4.49 105.19 102.97 3e1b n GLY 87 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3e1b n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 88 N -1.93 2.87 0.00 -0.02 0.00 0.12 -4.88 105.19 101.36 3e1b n GLY 88 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3e1b n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3e1b n VAL 89 N -0.79 0.54 -4.37 1.61 0.24 -1.26 -2.66 118.33 111.63 3e1b n VAL 89 Ca 0.00 0.16 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 3e1b n VAL 89 Cb 0.00 -1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 31.15 3e1b n VAL 89 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3e1b n VAL 90 N -1.08 -0.65 1.61 3.34 0.31 -1.26 -4.85 118.33 115.75 3e1b n VAL 90 Ca 0.00 -0.07 0.15 0.00 -0.01 0.00 0.00 64.34 64.41 3e1b n VAL 90 Cb 0.03 -1.12 0.82 0.00 -0.91 0.00 0.00 33.84 32.65 3e1b n VAL 90 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3e1b n ASP 91 N -2.60 0.01 0.00 4.52 8.00 -1.26 -4.95 116.55 120.27 3e1b n ASP 91 Ca 0.04 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3e1b n ASP 91 Cb 0.50 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3e1b n ASP 91 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3e1b n LEU 92 N -1.19 0.91 -4.48 0.64 0.00 -1.26 -4.94 117.00 106.68 3e1b n LEU 92 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 56.01 55.72 3e1b n LEU 92 Cb 0.20 -2.13 -0.02 0.00 0.00 0.00 0.00 43.42 41.47 3e1b n LEU 92 CO 0.22 -0.82 0.24 0.59 0.00 0.00 0.00 177.39 177.61 3e1b n ASN 93 N -0.73 -0.16 0.09 1.96 4.13 -1.26 -4.89 115.26 114.40 3e1b n ASN 93 Ca 0.00 1.15 0.09 0.00 1.68 0.00 0.00 54.58 57.50 3e1b n ASN 93 Cb 0.36 -1.10 0.41 0.00 -1.54 0.00 0.00 39.78 37.92 3e1b n ASN 93 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 3e1b n THR 94 N 0.09 1.07 1.18 3.41 5.66 -1.26 -3.99 114.28 120.43 3e1b n THR 94 Ca 0.14 0.39 0.10 0.00 -3.05 0.00 0.00 64.05 61.64 3e1b n THR 94 Cb 0.28 -1.31 0.58 0.00 -1.55 0.00 0.00 70.33 68.33 3e1b n THR 94 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3e1b n LEU 95 N -2.00 0.00 -4.44 1.09 7.99 -1.26 -4.29 117.00 114.09 3e1b n LEU 95 Ca 0.01 0.12 -0.50 0.00 -0.01 0.00 0.00 56.01 55.63 3e1b n LEU 95 Cb 0.14 -0.12 -0.04 0.00 -0.11 0.00 0.00 43.42 43.29 3e1b n LEU 95 CO 0.13 -0.04 0.16 0.29 -1.51 0.00 0.00 177.39 176.43 3e1b n LYS 96 N -1.12 0.14 -4.69 3.23 5.02 -1.26 -5.06 118.16 114.43 3e1b n LYS 96 Ca 0.13 0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 3e1b n LYS 96 Cb 0.11 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 3e1b n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3e1b s ALA 97 N -0.79 3.76 0.00 7.82 0.00 -1.26 -4.30 121.76 126.99 3e1b s ALA 97 Ca 0.69 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3e1b s ALA 97 Cb -0.97 0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3e1b s ALA 97 CO 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 176.21 3e1b n ALA 98 N -1.16 0.00 0.06 0.00 0.00 -1.26 -1.57 120.51 116.58 3e1b n ALA 98 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 3e1b n ALA 98 Cb 0.66 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.53 3e1b n ALA 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3e1b h ASN 99 N 0.00 0.36 0.00 0.00 -0.73 -2.04 -3.48 115.58 109.69 3e1b h ASN 99 Ca 0.00 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.14 3e1b h ASN 99 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.50 3e1b h ASN 99 CO 0.00 0.35 0.00 -0.38 -0.37 0.00 0.00 177.43 177.03 3e1b n ILE 100 N -4.40 0.00 -4.32 2.57 5.41 -0.61 -4.86 119.36 113.15 3e1b n ILE 100 Ca 0.01 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.42 3e1b n ILE 100 Cb 0.15 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.99 3e1b n ILE 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1b n ILE 101 N 0.00 -0.57 -2.44 1.39 0.00 -1.26 -4.67 119.36 111.82 3e1b n ILE 101 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 62.75 62.05 3e1b n ILE 101 Cb 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 39.64 38.85 3e1b n ILE 101 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3e1b s GLY 102 N -3.85 0.97 -0.12 4.50 0.00 -1.26 -4.95 107.32 102.61 3e1b s GLY 102 Ca 0.33 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.40 3e1b s GLY 102 CO 0.97 2.72 -0.13 -0.26 0.00 0.00 0.00 173.10 176.41 3e1b s ILE 103 N 5.72 1.36 0.30 0.90 -4.36 -1.26 -4.99 121.20 118.86 3e1b s ILE 103 Ca 0.51 -0.53 0.25 0.00 -0.26 0.00 0.00 60.65 60.62 3e1b s ILE 103 Cb -0.10 -1.28 0.26 0.00 1.25 0.00 0.00 42.46 42.59 3e1b s ILE 103 CO 0.26 0.42 1.96 1.56 0.24 0.00 0.00 174.94 179.37 3e1b h GLN 104 N 7.72 0.00 -6.33 0.37 7.50 -1.94 -3.41 115.11 119.03 3e1b h GLN 104 Ca -0.33 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.18 3e1b h GLN 104 Cb 1.15 0.00 0.04 0.00 0.05 0.00 0.00 27.48 28.72 3e1b h GLN 104 CO 0.48 0.18 0.81 -0.89 -1.50 0.00 0.00 178.83 177.91 3e1b n ILE 105 N -3.54 0.20 0.25 2.54 2.08 -1.26 -4.95 119.36 114.69 3e1b n ILE 105 Ca -0.01 -0.04 0.14 0.00 0.56 0.00 0.00 62.75 63.41 3e1b n ILE 105 Cb 0.33 -1.40 0.55 0.00 -0.75 0.00 0.00 39.64 38.37 3e1b n ILE 105 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 3e1b h GLU 106 N 6.66 0.00 0.00 0.38 9.09 -1.99 -3.14 114.58 125.59 3e1b h GLU 106 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3e1b h GLU 106 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3e1b h GLU 106 CO 0.89 0.08 0.00 0.34 0.05 0.00 0.00 179.01 180.37 3e1b n PHE 107 N -3.19 0.00 -1.58 2.06 -0.00 -1.26 -4.89 117.46 108.60 3e1b n PHE 107 Ca 0.01 0.00 -0.51 0.00 -0.00 0.00 0.00 57.45 56.95 3e1b n PHE 107 Cb 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.79 3e1b n PHE 107 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3e1b n ALA 108 N -0.66 0.79 -3.96 3.13 0.00 -1.19 -4.79 120.51 113.83 3e1b n ALA 108 Ca 0.06 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 3e1b n ALA 108 Cb 0.03 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 16.85 3e1b n ALA 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3e1b s LYS 109 N 5.05 1.68 0.28 0.00 0.00 -1.26 -5.07 119.74 120.42 3e1b s LYS 109 Ca 1.02 -2.02 -0.28 0.00 0.00 0.00 0.00 55.97 54.69 3e1b s LYS 109 Cb -0.83 -3.30 -0.14 0.00 0.00 0.00 0.00 37.83 33.56 3e1b s LYS 109 CO 0.53 -1.00 0.89 1.55 0.00 0.00 0.00 175.35 177.32 3e1b n VAL 110 N 4.08 2.00 -4.16 1.79 3.14 -1.26 -4.86 118.33 119.05 3e1b n VAL 110 Ca 0.03 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.80 3e1b n VAL 110 Cb 0.40 -0.79 -0.10 0.00 -1.06 0.00 0.00 33.84 32.30 3e1b n VAL 110 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 3e1b s ILE 111 N -1.08 0.03 -0.23 1.55 -4.36 -1.25 -5.03 121.20 110.83 3e1b s ILE 111 Ca 0.60 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.97 3e1b s ILE 111 Cb -0.73 -2.34 0.08 0.00 1.25 0.00 0.00 42.46 40.72 3e1b s ILE 111 CO 0.59 -0.13 0.53 -1.48 0.24 0.00 0.00 174.94 174.70 3e1b s LEU 112 N -3.11 -0.62 0.00 0.37 2.34 -1.26 -3.07 118.68 113.33 3e1b s LEU 112 Ca 0.33 1.21 0.21 0.00 0.06 0.00 0.00 54.13 55.94 3e1b s LEU 112 Cb 0.06 1.81 0.94 0.00 -0.56 0.00 0.00 46.19 48.45 3e1b s LEU 112 CO 0.09 -0.22 1.68 0.00 -1.06 0.00 0.00 176.35 176.84 3e1b n ALA 113 N 4.66 2.00 0.00 1.48 0.00 -1.26 -4.91 120.51 122.48 3e1b n ALA 113 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3e1b n ALA 113 Cb 0.54 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3e1b n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 114 N 0.65 1.26 3.58 0.00 0.00 -1.26 -5.08 105.19 104.34 3e1b n GLY 114 Ca 0.06 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3e1b n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e1b s GLU 115 N 0.00 3.81 -0.80 1.61 2.56 -1.26 -4.93 118.70 119.68 3e1b s GLU 115 Ca 0.00 -1.88 -0.25 0.00 0.00 0.00 0.00 54.97 52.83 3e1b s GLU 115 Cb 0.00 -5.50 0.00 0.00 2.00 0.00 0.00 34.13 30.63 3e1b s GLU 115 CO 0.00 -2.46 1.61 0.08 -0.56 0.00 0.00 175.26 173.93 3e1b s VAL 116 N 5.04 3.61 -0.18 3.70 1.01 -1.26 -4.61 120.40 127.71 3e1b s VAL 116 Ca 0.55 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 3e1b s VAL 116 Cb 0.03 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3e1b s VAL 116 CO 0.08 -1.43 1.75 -0.89 0.00 0.00 0.00 175.10 174.60 3e1b s THR 117 N 7.37 3.51 0.42 3.92 2.01 -1.26 -4.89 115.64 126.71 3e1b s THR 117 Ca 0.53 0.57 0.12 0.00 0.31 0.00 0.00 61.69 63.23 3e1b s THR 117 Cb -0.07 -3.52 0.32 0.00 0.01 0.00 0.00 72.50 69.24 3e1b s THR 117 CO 0.08 -0.21 1.97 0.71 -0.69 0.00 0.00 174.62 176.47 3e1b h THR 118 N 6.21 0.91 0.00 -0.82 1.35 -1.99 -0.95 112.91 117.62 3e1b h THR 118 Ca -0.37 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3e1b h THR 118 Cb 1.18 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3e1b h THR 118 CO 0.99 0.09 0.00 -2.65 -0.25 0.00 0.00 175.52 173.70 3e1b n PRO 119 N -4.48 0.13 -1.68 4.72 -0.02 -1.26 -4.87 135.00 127.55 3e1b n PRO 119 Ca 0.11 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 3e1b n PRO 119 Cb 0.36 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3e1b n PRO 119 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3e1b n VAL 120 N -2.10 2.05 -2.72 -1.45 0.31 -0.36 -4.95 118.33 109.10 3e1b n VAL 120 Ca 0.00 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 3e1b n VAL 120 Cb 0.10 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 3e1b n VAL 120 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3e1b s THR 121 N -1.10 4.87 -0.22 2.52 -4.23 -1.09 -5.00 115.64 111.39 3e1b s THR 121 Ca 0.57 2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 62.84 3e1b s THR 121 Cb -0.59 -4.31 -0.04 0.00 1.34 0.00 0.00 72.50 68.90 3e1b s THR 121 CO 0.61 0.16 1.98 -0.69 -0.54 0.00 0.00 174.62 176.14 3e1b s VAL 122 N 1.02 3.25 0.23 2.29 1.01 -1.26 -4.65 120.40 122.29 3e1b s VAL 122 Ca 0.52 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3e1b s VAL 122 Cb -0.21 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3e1b s VAL 122 CO 0.28 -0.17 0.08 -0.13 0.00 0.00 0.00 175.10 175.16 3e1b s ARG 123 N 5.69 1.32 0.00 2.72 1.81 -1.26 -4.93 118.95 124.30 3e1b s ARG 123 Ca 0.89 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 3e1b s ARG 123 Cb -0.30 -0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.00 3e1b s ARG 123 CO 0.35 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 3e1b n GLY 124 N -0.39 2.39 0.37 -3.53 0.00 -1.26 -4.99 105.19 97.77 3e1b n GLY 124 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3e1b n GLY 124 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3e1b n LEU 125 N 0.00 0.23 -4.01 0.99 -0.00 -1.26 -4.53 117.00 108.42 3e1b n LEU 125 Ca 0.00 -0.12 -0.11 0.00 -0.00 0.00 0.00 56.01 55.78 3e1b n LEU 125 Cb 0.00 -0.12 -0.11 0.00 -0.00 0.00 0.00 43.42 43.19 3e1b n LEU 125 CO 0.00 0.06 -0.38 0.00 -0.00 0.00 0.00 177.39 177.07 3e1b s ARG 126 N -1.26 0.40 0.17 1.47 1.70 -1.26 -5.08 118.95 115.08 3e1b s ARG 126 Ca 0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 3e1b s ARG 126 Cb 0.00 -0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 3e1b s ARG 126 CO 0.00 -0.00 0.00 0.28 -1.08 0.00 0.00 175.30 174.50 3e1b n VAL 127 N 1.63 0.66 0.00 4.99 0.31 -1.26 -4.21 118.33 120.45 3e1b n VAL 127 Ca -0.23 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3e1b n VAL 127 Cb 0.55 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 3e1b n VAL 127 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3e1b n THR 128 N -3.43 0.00 -0.08 2.52 -1.04 -1.26 -0.76 114.28 110.23 3e1b n THR 128 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3e1b n THR 128 Cb 0.03 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.42 3e1b n THR 128 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3e1b n LYS 129 N -0.02 1.27 -0.10 -2.82 4.81 -1.26 -4.82 118.16 115.23 3e1b n LYS 129 Ca 0.00 0.01 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 3e1b n LYS 129 Cb 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3e1b n LYS 129 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3e1b h GLY 130 N 2.89 0.02 0.81 3.14 0.00 -1.85 -1.67 103.07 106.41 3e1b h GLY 130 Ca -0.43 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3e1b h GLY 130 CO 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 176.54 176.34 3e1b h ALA 131 N 1.05 0.26 -0.70 3.60 0.00 -1.12 -1.17 119.26 121.19 3e1b h ALA 131 Ca 0.18 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3e1b h ALA 131 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3e1b h ALA 131 CO -0.44 0.00 0.16 0.00 0.00 0.00 0.00 179.25 178.97 3e1b h ARG 132 N 0.10 1.12 -0.33 0.00 2.47 -1.73 -1.49 114.38 114.51 3e1b h ARG 132 Ca 0.05 -0.27 0.09 0.00 -1.26 0.00 0.00 59.98 58.59 3e1b h ARG 132 Cb 0.43 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 3e1b h ARG 132 CO 0.01 0.99 0.24 0.00 0.56 0.00 0.00 179.97 181.77 3e1b h ALA 133 N 1.11 2.27 -0.57 0.04 0.00 -0.79 -3.40 119.26 117.92 3e1b h ALA 133 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3e1b h ALA 133 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3e1b h ALA 133 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.89 3e1b n ALA 134 N -2.59 2.81 0.16 0.00 0.00 -0.49 -4.93 120.51 115.47 3e1b n ALA 134 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 3e1b n ALA 134 Cb 0.39 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.00 3e1b n ALA 134 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3e1b h ILE 135 N 0.00 0.87 -0.96 0.00 3.07 -1.49 -3.05 117.51 115.96 3e1b h ILE 135 Ca 0.00 -1.95 0.30 0.00 1.55 0.00 0.00 64.86 64.76 3e1b h ILE 135 Cb 0.00 2.23 -0.16 0.00 -0.27 0.00 0.00 36.82 38.62 3e1b h ILE 135 CO 0.00 0.45 0.37 -0.08 -1.05 0.00 0.00 178.15 177.84 3e1b h GLU 136 N 0.00 0.18 0.00 0.16 4.57 -1.65 -0.39 114.58 117.45 3e1b h GLU 136 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3e1b h GLU 136 Cb 1.19 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3e1b h GLU 136 CO 0.06 0.12 0.00 0.00 -1.18 0.00 0.00 179.01 178.01 3e1b n ALA 137 N -2.55 1.59 0.00 2.92 0.00 -1.15 -3.45 120.51 117.87 3e1b n ALA 137 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3e1b n ALA 137 Cb 0.90 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3e1b n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1b n ALA 138 N -1.44 0.43 0.00 0.00 0.00 -0.36 -5.02 120.51 114.12 3e1b n ALA 138 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3e1b n ALA 138 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3e1b n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1b n GLY 139 N 0.30 -0.12 4.07 0.00 0.00 -0.33 -4.60 105.19 104.49 3e1b n GLY 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 140 N 0.00 0.00 3.71 -0.02 0.00 -0.31 -4.91 105.19 103.66 3e1b n GLY 140 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3e1b n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1b s LYS 141 N -0.14 4.16 0.00 1.61 0.00 -1.26 -4.80 119.74 119.31 3e1b s LYS 141 Ca 0.00 2.51 0.29 0.00 0.00 0.00 0.00 55.97 58.77 3e1b s LYS 141 Cb 0.00 -3.27 1.31 0.00 0.00 0.00 0.00 37.83 35.87 3e1b s LYS 141 CO 0.00 -0.73 1.90 0.44 0.00 0.00 0.00 175.35 176.96 3e1b n ILE 142 N 4.23 0.00 0.00 3.79 -5.35 -1.26 -4.69 119.36 116.07 3e1b n ILE 142 Ca 0.16 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 3e1b n ILE 142 Cb 0.37 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 3e1b n ILE 142 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3e1b n GLU 143 N -0.88 0.00 0.00 6.28 0.28 -1.26 -4.23 120.64 120.83 3e1b n GLU 143 Ca 0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 3e1b n GLU 143 Cb 0.26 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.31 3e1b n GLU 143 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12