#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 2 N 0.00 0.00 -2.55 0.03 0.00 -1.26 -4.78 118.16 109.60 3i20 n LYS 2 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 3i20 n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 3i20 n LYS 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3i20 s THR 3 N 0.00 4.44 0.15 0.58 -4.23 -1.26 -4.96 115.64 110.36 3i20 s THR 3 Ca 0.00 1.75 -0.08 0.00 -1.18 0.00 0.00 61.69 62.18 3i20 s THR 3 Cb 0.00 -4.12 -0.06 0.00 1.34 0.00 0.00 72.50 69.66 3i20 s THR 3 CO 0.00 0.08 0.04 0.33 -0.54 0.00 0.00 174.62 174.52 3i20 n PHE 4 N 4.45 -0.76 -3.61 3.99 -0.00 -1.26 -5.00 117.46 115.26 3i20 n PHE 4 Ca 0.09 0.23 -0.27 0.00 -0.00 0.00 0.00 57.45 57.50 3i20 n PHE 4 Cb 0.48 -0.66 -0.16 0.00 -0.00 0.00 0.00 39.48 39.14 3i20 n PHE 4 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3i20 s THR 5 N -0.61 0.02 0.08 -2.13 2.01 -1.26 -4.85 115.64 108.90 3i20 s THR 5 Ca 0.22 -0.41 -0.35 0.00 0.31 0.00 0.00 61.69 61.46 3i20 s THR 5 Cb -0.24 -0.78 -0.14 0.00 0.01 0.00 0.00 72.50 71.35 3i20 s THR 5 CO 0.23 -0.41 1.58 0.00 -0.69 0.00 0.00 174.62 175.33 3i20 n ALA 6 N 5.23 0.62 -2.64 7.40 0.00 -1.26 -4.94 120.51 124.93 3i20 n ALA 6 Ca -0.07 0.43 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 3i20 n ALA 6 Cb 0.47 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 3i20 n ALA 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i20 s LYS 7 N 1.47 2.82 0.59 0.00 -2.85 -1.26 -4.85 119.74 115.66 3i20 s LYS 7 Ca 0.84 -0.53 0.37 0.00 -1.00 0.00 0.00 55.97 55.65 3i20 s LYS 7 Cb -0.77 -2.67 1.80 0.00 -2.06 0.00 0.00 37.83 34.14 3i20 s LYS 7 CO 0.44 0.66 2.16 -1.35 0.10 0.00 0.00 175.35 177.36 3i20 h PRO 8 N 4.97 0.00 -0.99 1.78 0.11 -1.97 -2.14 132.00 133.76 3i20 h PRO 8 Ca -0.49 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.18 3i20 h PRO 8 Cb 1.18 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.03 3i20 h PRO 8 CO 0.54 0.02 0.55 -1.91 -0.21 0.00 0.00 178.00 176.99 3i20 n GLU 9 N -3.19 2.10 0.00 1.05 4.07 -1.26 -3.87 120.64 119.53 3i20 n GLU 9 Ca -0.01 -2.55 0.00 0.00 -0.06 0.00 0.00 57.16 54.54 3i20 n GLU 9 Cb 0.20 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 3i20 n GLU 9 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3i20 n THR 10 N -0.87 0.00 -1.73 6.31 -2.24 -0.82 -5.12 114.28 109.82 3i20 n THR 10 Ca 0.50 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.91 3i20 n THR 10 Cb 1.49 0.35 0.07 0.00 -2.10 0.00 0.00 70.33 70.13 3i20 n THR 10 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i20 n VAL 11 N 0.00 4.93 -0.07 2.28 0.31 -1.16 -4.97 118.33 119.65 3i20 n VAL 11 Ca 0.00 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.75 3i20 n VAL 11 Cb 0.00 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 3i20 n VAL 11 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i20 h LYS 12 N 0.54 0.00 0.00 5.55 3.64 -1.92 -3.50 116.57 120.88 3i20 h LYS 12 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3i20 h LYS 12 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3i20 h LYS 12 CO 0.53 0.26 0.00 0.54 -2.27 0.00 0.00 179.45 178.51 3i20 n ARG 13 N -4.61 0.00 0.00 1.90 5.12 -1.26 -5.05 116.66 112.76 3i20 n ARG 13 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 3i20 n ARG 13 Cb 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 3i20 n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3i20 n ASP 14 N 6.56 0.00 -4.25 0.55 10.43 -1.26 -4.56 116.55 124.02 3i20 n ASP 14 Ca 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.07 3i20 n ASP 14 Cb 0.00 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 42.80 3i20 n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3i20 s TRP 15 N -2.54 2.11 0.02 1.24 0.52 -1.26 -0.50 118.94 118.53 3i20 s TRP 15 Ca 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 56.10 55.55 3i20 s TRP 15 Cb 0.00 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 3i20 s TRP 15 CO 0.00 -0.09 0.19 0.71 0.02 0.00 0.00 176.95 177.79 3i20 s TYR 16 N -0.40 0.02 -0.20 -1.98 1.51 -0.83 -1.71 117.35 113.77 3i20 s TYR 16 Ca 0.05 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 3i20 s TYR 16 Cb -0.10 -0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.74 3i20 s TYR 16 CO 0.00 -0.38 -0.13 0.08 -1.11 0.00 0.00 175.55 174.01 3i20 s VAL 17 N -2.07 2.63 0.01 0.71 1.01 0.48 -0.20 120.40 122.96 3i20 s VAL 17 Ca -0.09 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3i20 s VAL 17 Cb -0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3i20 s VAL 17 CO -0.01 0.47 0.03 -0.69 0.00 0.00 0.00 175.10 174.90 3i20 s VAL 18 N 1.37 4.35 -0.49 2.92 1.01 0.13 -2.78 120.40 126.92 3i20 s VAL 18 Ca 0.05 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 3i20 s VAL 18 Cb -0.14 -2.97 0.12 0.00 0.00 0.00 0.00 36.38 33.39 3i20 s VAL 18 CO -0.09 0.34 0.38 -0.62 0.00 0.00 0.00 175.10 175.12 3i20 s ASP 19 N -1.69 5.86 0.00 3.32 3.68 -1.26 -0.69 116.67 125.88 3i20 s ASP 19 Ca 0.21 -1.80 0.00 0.00 2.13 0.00 0.00 52.55 53.09 3i20 s ASP 19 Cb -0.12 -2.08 0.00 0.00 -1.45 0.00 0.00 42.92 39.28 3i20 s ASP 19 CO 0.12 -0.72 0.40 0.00 0.13 0.00 0.00 175.17 175.10 3i20 n ALA 20 N 5.03 2.03 -1.00 3.66 0.00 -0.46 -4.70 120.51 125.07 3i20 n ALA 20 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i20 n ALA 20 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3i20 n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i20 n THR 21 N 0.27 0.00 1.17 0.00 -1.04 -1.26 -3.55 114.28 109.87 3i20 n THR 21 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3i20 n THR 21 Cb 0.20 -0.60 0.20 0.00 -1.82 0.00 0.00 70.33 68.31 3i20 n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i20 n GLY 22 N 0.00 -0.59 3.75 3.41 0.00 -1.26 -3.53 105.19 106.97 3i20 n GLY 22 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3i20 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 23 N -2.00 3.00 -0.55 1.61 1.02 -1.23 -4.48 119.74 117.11 3i20 s LYS 23 Ca 0.10 1.94 -0.23 0.00 0.02 0.00 0.00 55.97 57.80 3i20 s LYS 23 Cb 0.05 -2.02 0.05 0.00 -0.52 0.00 0.00 37.83 35.39 3i20 s LYS 23 CO 0.08 -1.21 0.89 -0.08 -0.92 0.00 0.00 175.35 174.11 3i20 s THR 24 N -1.50 4.47 -0.13 2.17 -1.32 -1.26 -0.72 115.64 117.35 3i20 s THR 24 Ca 0.76 0.07 -0.36 0.00 -1.21 0.00 0.00 61.69 60.96 3i20 s THR 24 Cb -0.33 -4.51 -0.13 0.00 -1.51 0.00 0.00 72.50 66.01 3i20 s THR 24 CO 0.37 -1.10 1.83 -0.11 -2.21 0.00 0.00 174.62 173.40 3i20 n LEU 25 N 7.27 3.15 0.00 9.08 -0.00 0.56 -1.08 117.00 135.98 3i20 n LEU 25 Ca -0.00 1.00 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 3i20 n LEU 25 Cb 0.47 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 3i20 n LEU 25 CO 0.62 -0.17 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 3i20 n GLY 26 N 4.29 1.63 0.03 -3.96 0.00 -1.26 -4.74 105.19 101.18 3i20 n GLY 26 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.32 3i20 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 n ARG 27 N -0.16 0.67 -0.01 1.61 1.74 -0.24 -2.95 116.66 117.31 3i20 n ARG 27 Ca 0.00 -0.15 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 3i20 n ARG 27 Cb 0.00 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 3i20 n ARG 27 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i20 h LEU 28 N 0.00 0.31 -0.45 0.55 5.85 -1.71 -3.32 115.31 116.55 3i20 h LEU 28 Ca -0.11 -0.82 0.09 0.00 0.84 0.00 0.00 57.88 57.88 3i20 h LEU 28 Cb 1.26 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 3i20 h LEU 28 CO 0.01 1.09 -0.08 0.00 -0.34 0.00 0.00 178.44 179.12 3i20 h ALA 29 N 0.22 0.33 -0.06 1.25 0.00 -1.80 -1.85 119.26 117.35 3i20 h ALA 29 Ca -0.05 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i20 h ALA 29 Cb 1.17 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3i20 h ALA 29 CO 0.08 -0.43 -0.07 1.15 0.00 0.00 0.00 179.25 179.97 3i20 h THR 30 N 0.03 0.00 -0.16 0.00 2.02 -1.65 0.20 112.91 113.35 3i20 h THR 30 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 3i20 h THR 30 Cb 0.33 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 3i20 h THR 30 CO -0.44 0.00 -0.29 -0.33 0.37 0.00 0.00 175.52 174.83 3i20 h GLU 31 N -0.05 -0.34 -0.99 6.66 4.39 -1.63 0.32 114.58 122.95 3i20 h GLU 31 Ca 0.01 0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.02 3i20 h GLU 31 Cb 0.07 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 28.61 3i20 h GLU 31 CO -0.08 -0.22 0.06 1.28 -1.16 0.00 0.00 179.01 178.88 3i20 n LEU 32 N -5.40 -0.08 -0.03 1.33 4.77 -0.71 -0.94 117.00 115.94 3i20 n LEU 32 Ca -0.03 1.68 -0.11 0.00 -0.03 0.00 0.00 56.01 57.53 3i20 n LEU 32 Cb 0.31 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 3i20 n LEU 32 CO 0.16 -1.72 0.86 0.00 -1.33 0.00 0.00 177.39 175.36 3i20 h ALA 33 N 1.99 0.18 0.07 -1.18 0.00 0.17 0.13 119.26 120.61 3i20 h ALA 33 Ca 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3i20 h ALA 33 Cb 1.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i20 h ALA 33 CO -0.92 -0.26 -0.05 0.07 0.00 0.00 0.00 179.25 178.08 3i20 h ARG 34 N 0.10 -0.12 0.33 0.00 0.11 -0.61 -0.73 114.38 113.46 3i20 h ARG 34 Ca 0.05 0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 3i20 h ARG 34 Cb 0.12 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 3i20 h ARG 34 CO -0.01 -0.08 -0.32 0.00 0.10 0.00 0.00 179.97 179.66 3i20 h ARG 35 N -0.12 -0.65 -0.69 0.08 3.08 -1.34 1.18 114.38 115.91 3i20 h ARG 35 Ca -0.00 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.29 3i20 h ARG 35 Cb 0.11 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3i20 h ARG 35 CO -0.01 -0.44 1.06 -0.07 -1.07 0.00 0.00 179.97 179.45 3i20 h LEU 36 N -0.68 0.00 -0.96 3.04 4.07 -0.35 0.27 115.31 120.69 3i20 h LEU 36 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3i20 h LEU 36 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3i20 h LEU 36 CO -0.06 0.00 -0.47 -1.14 -1.08 0.00 0.00 178.44 175.69 3i20 n ARG 37 N -3.10 1.25 -0.95 1.13 0.63 0.39 -4.27 116.66 111.75 3i20 n ARG 37 Ca 0.15 -0.95 0.00 0.00 -0.92 0.00 0.00 57.85 56.13 3i20 n ARG 37 Cb 1.27 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 32.73 3i20 n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i20 n GLY 38 N 1.39 0.46 0.30 5.14 0.00 0.93 -4.12 105.19 109.28 3i20 n GLY 38 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i20 n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i20 n LYS 39 N -1.82 0.09 -2.55 1.61 4.81 -0.67 -2.84 118.16 116.79 3i20 n LYS 39 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3i20 n LYS 39 Cb 0.11 -1.03 0.03 0.00 0.02 0.00 0.00 35.03 34.16 3i20 n LYS 39 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3i20 n HIS 40 N 0.06 1.86 0.00 5.64 1.44 -1.26 -4.92 115.22 118.05 3i20 n HIS 40 Ca 0.00 -2.38 0.00 0.00 -2.01 0.00 0.00 57.72 53.33 3i20 n HIS 40 Cb 0.01 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 29.85 3i20 n HIS 40 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 3i20 n LYS 41 N -0.52 0.00 -0.48 -1.40 2.85 -1.13 -4.94 118.16 112.53 3i20 n LYS 41 Ca 0.21 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.55 3i20 n LYS 41 Cb 0.83 0.00 0.27 0.00 -0.65 0.00 0.00 35.03 35.48 3i20 n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i20 n ALA 42 N -3.00 3.08 -0.28 0.58 0.00 -1.26 -4.70 120.51 114.92 3i20 n ALA 42 Ca 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 53.44 51.17 3i20 n ALA 42 Cb 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 19.45 18.81 3i20 n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i20 n GLU 43 N -0.46 -0.08 0.00 0.00 0.00 -1.19 -3.74 120.64 115.17 3i20 n GLU 43 Ca 0.22 1.22 0.00 0.00 0.00 0.00 0.00 57.16 58.60 3i20 n GLU 43 Cb 0.92 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 30.53 3i20 n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3i20 n TYR 44 N -5.27 0.00 0.00 4.31 4.19 -1.26 -3.41 117.16 115.72 3i20 n TYR 44 Ca 0.12 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.33 3i20 n TYR 44 Cb 0.39 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.22 3i20 n TYR 44 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3i20 n THR 45 N 0.00 0.00 -0.81 2.97 5.66 -1.25 -4.02 114.28 116.83 3i20 n THR 45 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 3i20 n THR 45 Cb 0.00 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.14 3i20 n THR 45 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3i20 n PRO 46 N 0.00 4.13 -0.03 1.09 -0.05 -1.22 -3.60 135.00 135.33 3i20 n PRO 46 Ca 0.00 -2.99 0.05 0.00 -0.05 0.00 0.00 63.50 60.51 3i20 n PRO 46 Cb 0.00 -2.04 0.05 0.00 -0.05 0.00 0.00 33.50 31.46 3i20 n PRO 46 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 3i20 n HIS 47 N 0.57 0.07 -4.70 0.54 1.44 -1.26 -5.01 115.22 106.86 3i20 n HIS 47 Ca 0.25 -0.09 -0.25 0.00 -2.01 0.00 0.00 57.72 55.63 3i20 n HIS 47 Cb 1.02 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 30.98 3i20 n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3i20 s VAL 48 N -0.80 1.48 -0.68 0.61 1.01 -1.24 -5.05 120.40 115.74 3i20 s VAL 48 Ca 0.12 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 3i20 s VAL 48 Cb 0.08 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.23 3i20 s VAL 48 CO 0.12 0.27 1.16 -0.62 0.00 0.00 0.00 175.10 176.02 3i20 s ASP 49 N -0.83 6.22 0.00 3.32 3.68 -1.26 -4.82 116.67 122.98 3i20 s ASP 49 Ca 0.06 -0.49 0.23 0.00 2.13 0.00 0.00 52.55 54.49 3i20 s ASP 49 Cb -0.08 -2.51 0.11 0.00 -1.45 0.00 0.00 42.92 38.99 3i20 s ASP 49 CO 0.01 -1.64 1.18 0.35 0.13 0.00 0.00 175.17 175.20 3i20 n THR 50 N 6.30 0.00 -1.18 1.71 -2.24 -1.26 -4.92 114.28 112.68 3i20 n THR 50 Ca 0.02 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 3i20 n THR 50 Cb 0.48 1.40 0.17 0.00 -2.10 0.00 0.00 70.33 70.28 3i20 n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i20 s GLY 51 N -2.17 1.57 0.36 3.38 0.00 -1.26 -4.39 107.32 104.81 3i20 s GLY 51 Ca 0.24 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.63 3i20 s GLY 51 CO 0.40 0.26 0.56 0.99 0.00 0.00 0.00 173.10 175.31 3i20 s ASP 52 N -3.47 6.20 -0.11 1.64 -0.00 -1.15 -4.35 116.67 115.43 3i20 s ASP 52 Ca 0.65 0.38 -0.20 0.00 -0.00 0.00 0.00 52.55 53.38 3i20 s ASP 52 Cb -0.18 -1.91 -0.04 0.00 -0.00 0.00 0.00 42.92 40.79 3i20 s ASP 52 CO 0.57 -0.36 0.57 -0.31 -0.00 0.00 0.00 175.17 175.64 3i20 s TYR 53 N -2.34 3.52 -0.05 4.23 2.02 0.35 -4.45 117.35 120.62 3i20 s TYR 53 Ca 0.41 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 58.14 3i20 s TYR 53 Cb -0.10 -2.66 0.02 0.00 -0.40 0.00 0.00 41.96 38.82 3i20 s TYR 53 CO 0.36 0.10 -0.09 0.96 -1.57 0.00 0.00 175.55 175.31 3i20 s ILE 54 N 0.84 0.89 -0.26 2.71 -5.25 -1.05 -1.97 121.20 117.12 3i20 s ILE 54 Ca 0.30 -0.34 -0.11 0.00 -0.99 0.00 0.00 60.65 59.51 3i20 s ILE 54 Cb -0.16 -0.84 -0.05 0.00 2.95 0.00 0.00 42.46 44.36 3i20 s ILE 54 CO 0.13 0.30 0.17 0.27 -1.79 0.00 0.00 174.94 174.02 3i20 s ILE 55 N 0.72 5.29 0.69 8.37 -5.25 0.72 -2.04 121.20 129.69 3i20 s ILE 55 Ca -0.13 0.16 -0.05 0.00 -0.99 0.00 0.00 60.65 59.64 3i20 s ILE 55 Cb -0.15 -3.49 0.08 0.00 2.95 0.00 0.00 42.46 41.84 3i20 s ILE 55 CO 0.02 0.30 0.98 -0.69 -1.79 0.00 0.00 174.94 173.76 3i20 s VAL 56 N 1.42 2.32 0.05 8.37 1.01 0.36 -0.69 120.40 133.24 3i20 s VAL 56 Ca 0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 3i20 s VAL 56 Cb -0.15 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.32 3i20 s VAL 56 CO 0.08 0.00 0.29 -0.22 0.00 0.00 0.00 175.10 175.25 3i20 s LEU 57 N -5.16 0.94 -1.70 3.92 2.96 0.13 -4.44 118.68 115.33 3i20 s LEU 57 Ca 0.61 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 54.10 3i20 s LEU 57 Cb -0.09 1.31 0.16 0.00 0.50 0.00 0.00 46.19 48.07 3i20 s LEU 57 CO 0.44 -0.62 0.80 0.59 -1.32 0.00 0.00 176.35 176.23 3i20 n ASN 58 N 0.54 -3.36 -0.32 3.68 5.03 0.17 -1.35 115.26 119.64 3i20 n ASN 58 Ca -0.18 -1.01 0.22 0.00 0.87 0.00 0.00 54.58 54.48 3i20 n ASN 58 Cb 0.60 -2.79 0.50 0.00 -1.02 0.00 0.00 39.78 37.07 3i20 n ASN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i20 h ALA 59 N 0.92 2.20 0.00 5.41 0.00 -1.61 -1.93 119.26 124.25 3i20 h ALA 59 Ca -0.59 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3i20 h ALA 59 Cb 1.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3i20 h ALA 59 CO 0.78 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 3i20 n ASP 60 N -4.64 0.00 -0.38 0.00 5.68 -1.25 0.40 116.55 116.37 3i20 n ASP 60 Ca 0.25 0.09 0.07 0.00 -0.50 0.00 0.00 54.79 54.70 3i20 n ASP 60 Cb 0.86 -0.17 0.15 0.00 -1.14 0.00 0.00 41.12 40.82 3i20 n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3i20 n LYS 61 N -1.17 2.35 -1.69 0.11 5.02 -0.73 -5.03 118.16 117.02 3i20 n LYS 61 Ca 0.02 -2.35 -0.38 0.00 -2.02 0.00 0.00 58.31 53.59 3i20 n LYS 61 Cb 0.02 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3i20 n LYS 61 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3i20 n VAL 62 N -0.68 4.29 -4.11 -0.18 3.14 0.16 -4.21 118.33 116.73 3i20 n VAL 62 Ca 0.14 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.75 3i20 n VAL 62 Cb 0.60 -1.40 -0.06 0.00 -1.06 0.00 0.00 33.84 31.92 3i20 n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i20 s ALA 63 N -1.41 3.47 0.00 1.55 0.00 0.10 -4.94 121.76 120.52 3i20 s ALA 63 Ca 0.78 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3i20 s ALA 63 Cb -0.40 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3i20 s ALA 63 CO 0.44 0.52 0.00 1.55 0.00 0.00 0.00 175.76 178.27 3i20 n VAL 64 N -0.22 0.00 0.00 0.00 3.14 -1.26 -0.32 118.33 119.67 3i20 n VAL 64 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 3i20 n VAL 64 Cb 0.55 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 3i20 n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3i20 n THR 65 N -2.79 0.00 -0.41 1.55 5.66 -1.26 -4.76 114.28 112.27 3i20 n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i20 n THR 65 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 3i20 n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i20 n GLY 66 N 0.39 0.72 0.26 1.09 0.00 -1.26 -3.09 105.19 103.30 3i20 n GLY 66 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3i20 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i20 n ASN 67 N -3.92 0.98 -0.23 1.61 4.13 -1.26 -4.42 115.26 112.16 3i20 n ASN 67 Ca 0.00 -0.95 0.20 0.00 1.68 0.00 0.00 54.58 55.51 3i20 n ASN 67 Cb 0.00 0.06 0.35 0.00 -1.54 0.00 0.00 39.78 38.65 3i20 n ASN 67 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3i20 n LYS 68 N -0.55 -0.02 0.15 3.52 5.02 -1.18 -0.28 118.16 124.82 3i20 n LYS 68 Ca 0.14 0.69 0.15 0.00 -2.02 0.00 0.00 58.31 57.28 3i20 n LYS 68 Cb 0.33 -1.32 0.71 0.00 -0.02 0.00 0.00 35.03 34.72 3i20 n LYS 68 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3i20 h ARG 69 N 0.00 0.00 0.00 1.97 2.43 -1.77 -0.08 114.38 116.93 3i20 h ARG 69 Ca 0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3i20 h ARG 69 Cb 1.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3i20 h ARG 69 CO -0.30 0.00 -0.06 0.25 -1.51 0.00 0.00 179.97 178.35 3i20 n THR 70 N -4.29 0.95 -0.61 0.20 -2.24 0.62 -1.89 114.28 107.02 3i20 n THR 70 Ca 0.03 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 3i20 n THR 70 Cb 0.34 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3i20 n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i20 n ASP 71 N -0.61 0.46 -4.76 3.42 10.43 -0.18 -4.95 116.55 120.37 3i20 n ASP 71 Ca 0.04 -1.07 -0.40 0.00 2.57 0.00 0.00 54.79 55.93 3i20 n ASP 71 Cb 0.45 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.37 3i20 n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3i20 s LYS 72 N -0.07 4.60 0.00 -1.24 1.02 -0.43 -4.92 119.74 118.71 3i20 s LYS 72 Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.84 3i20 s LYS 72 Cb 0.00 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3i20 s LYS 72 CO 0.00 0.14 0.13 1.33 -0.92 0.00 0.00 175.35 176.04 3i20 n VAL 73 N 1.31 0.00 -3.45 3.17 0.24 -1.26 -4.03 118.33 114.31 3i20 n VAL 73 Ca -0.00 0.63 -0.22 0.00 -2.04 0.00 0.00 64.34 62.70 3i20 n VAL 73 Cb 0.44 -1.51 0.06 0.00 -1.47 0.00 0.00 33.84 31.36 3i20 n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i20 n TYR 74 N -0.16 -2.22 -3.13 6.34 0.53 -1.25 -4.00 117.16 113.27 3i20 n TYR 74 Ca 0.00 0.68 -0.35 0.00 -1.02 0.00 0.00 57.90 57.21 3i20 n TYR 74 Cb 0.00 -3.79 -0.06 0.00 -1.03 0.00 0.00 39.34 34.46 3i20 n TYR 74 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 3i20 s TYR 75 N -3.41 3.55 0.15 -0.72 2.02 -1.26 -2.56 117.35 115.12 3i20 s TYR 75 Ca 0.45 1.31 -0.19 0.00 -0.37 0.00 0.00 57.07 58.27 3i20 s TYR 75 Cb -0.11 -2.58 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 3i20 s TYR 75 CO 0.80 0.26 0.51 -3.38 -1.57 0.00 0.00 175.55 172.16 3i20 s HIS 76 N -1.68 -0.34 0.07 2.71 -3.43 -0.41 -5.02 115.29 107.19 3i20 s HIS 76 Ca 0.47 0.07 0.09 0.00 -0.80 0.00 0.00 55.06 54.89 3i20 s HIS 76 Cb -0.14 0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 31.39 3i20 s HIS 76 CO 0.20 -0.80 -0.25 -1.58 -2.00 0.00 0.00 174.74 170.30 3i20 s HIS 77 N -3.79 2.18 -1.21 0.38 2.46 -1.26 -1.38 115.29 112.67 3i20 s HIS 77 Ca 0.03 -0.40 0.25 0.00 0.47 0.00 0.00 55.06 55.42 3i20 s HIS 77 Cb 0.00 -1.26 0.59 0.00 -0.13 0.00 0.00 32.58 31.78 3i20 s HIS 77 CO -0.11 0.18 1.47 0.25 -2.47 0.00 0.00 174.74 174.06 3i20 n THR 78 N 1.49 0.00 0.00 0.89 -2.24 0.34 -4.93 114.28 109.83 3i20 n THR 78 Ca -0.17 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3i20 n THR 78 Cb 0.53 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3i20 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 79 N 1.45 2.84 4.00 3.38 0.00 -1.26 -5.01 105.19 110.59 3i20 n GLY 79 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3i20 n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i20 s HIS 80 N -2.13 2.26 0.00 1.61 3.76 -1.26 -4.98 115.29 114.55 3i20 s HIS 80 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 3i20 s HIS 80 Cb 0.00 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 31.09 3i20 s HIS 80 CO 0.00 -1.00 0.00 1.51 -0.85 0.00 0.00 174.74 174.40 3i20 n ILE 81 N -2.31 0.00 -2.76 0.60 3.06 -1.26 -2.03 119.36 114.66 3i20 n ILE 81 Ca 0.11 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.34 3i20 n ILE 81 Cb 0.60 0.00 0.08 0.00 0.54 0.00 0.00 39.64 40.86 3i20 n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i20 n GLY 82 N 0.00 1.80 3.58 4.50 0.00 -1.26 -5.04 105.19 108.76 3i20 n GLY 82 Ca 0.00 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3i20 n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i20 s GLY 83 N -2.71 1.23 -0.46 -0.02 0.00 -0.86 -4.85 107.32 99.65 3i20 s GLY 83 Ca 0.21 -2.70 -0.07 0.00 0.00 0.00 0.00 44.72 42.17 3i20 s GLY 83 CO -0.06 2.95 0.31 -1.50 0.00 0.00 0.00 173.10 174.80 3i20 s ILE 84 N 6.09 3.89 -0.01 0.90 1.10 -1.26 -0.51 121.20 131.40 3i20 s ILE 84 Ca 0.58 -1.93 -0.17 0.00 -0.51 0.00 0.00 60.65 58.62 3i20 s ILE 84 Cb 0.03 -3.60 -0.06 0.00 0.15 0.00 0.00 42.46 38.99 3i20 s ILE 84 CO 0.09 -0.75 0.48 -0.54 -2.11 0.00 0.00 174.94 172.11 3i20 s LYS 85 N 1.23 4.13 0.04 3.50 -0.14 -0.48 -4.99 119.74 123.03 3i20 s LYS 85 Ca 0.07 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.22 3i20 s LYS 85 Cb -0.25 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.59 3i20 s LYS 85 CO -0.02 0.52 -0.04 1.14 -0.76 0.00 0.00 175.35 176.18 3i20 s GLN 86 N -0.58 0.46 0.17 1.68 -2.07 -1.26 -1.29 119.66 116.76 3i20 s GLN 86 Ca 0.26 -0.81 -0.15 0.00 -1.82 0.00 0.00 55.36 52.84 3i20 s GLN 86 Cb -0.17 0.01 0.02 0.00 -1.09 0.00 0.00 33.01 31.78 3i20 s GLN 86 CO 0.14 -0.04 0.42 0.00 -1.32 0.00 0.00 175.29 174.50 3i20 s ALA 87 N -2.06 -0.68 0.63 2.60 0.00 -1.06 -5.02 121.76 116.16 3i20 s ALA 87 Ca -0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 3i20 s ALA 87 Cb -0.06 0.80 0.06 0.00 0.00 0.00 0.00 23.12 23.93 3i20 s ALA 87 CO -0.03 -0.72 0.89 -0.08 0.00 0.00 0.00 175.76 175.82 3i20 s THR 88 N -3.88 2.46 0.02 0.00 -1.32 -1.26 -3.89 115.64 107.77 3i20 s THR 88 Ca 0.10 -0.52 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 3i20 s THR 88 Cb 0.01 -2.94 -0.16 0.00 -1.51 0.00 0.00 72.50 67.90 3i20 s THR 88 CO -0.05 0.00 1.30 0.15 -2.21 0.00 0.00 174.62 173.81 3i20 h PHE 89 N -0.25 0.35 -0.72 9.09 3.04 -1.75 0.79 116.94 127.50 3i20 h PHE 89 Ca -0.42 -0.12 -0.03 0.00 3.98 0.00 0.00 57.97 61.39 3i20 h PHE 89 Cb 1.30 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.70 3i20 h PHE 89 CO 0.25 0.74 0.33 1.05 -2.02 0.00 0.00 178.31 178.66 3i20 h GLU 90 N -0.13 1.02 -0.72 1.11 4.11 -1.68 -0.22 114.58 118.06 3i20 h GLU 90 Ca 0.01 -0.15 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 3i20 h GLU 90 Cb 0.69 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3i20 h GLU 90 CO 0.03 0.80 0.22 0.93 0.07 0.00 0.00 179.01 181.06 3i20 h GLU 91 N 1.02 1.13 -0.12 1.06 5.08 -1.83 -1.43 114.58 119.49 3i20 h GLU 91 Ca 0.25 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3i20 h GLU 91 Cb 0.12 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3i20 h GLU 91 CO -0.03 0.97 -0.05 0.52 -1.00 0.00 0.00 179.01 179.42 3i20 h MET 92 N 1.08 0.24 -0.99 2.33 2.86 -0.14 -2.38 114.93 117.94 3i20 h MET 92 Ca 0.23 -0.10 0.17 0.00 -2.06 0.00 0.00 59.70 57.94 3i20 h MET 92 Cb 0.32 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.87 3i20 h MET 92 CO -0.01 0.57 0.60 0.82 1.06 0.00 0.00 176.91 179.96 3i20 h ILE 93 N -0.11 0.77 0.24 -1.22 1.08 -1.02 -2.76 117.51 114.49 3i20 h ILE 93 Ca 0.03 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 3i20 h ILE 93 Cb 0.50 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3i20 h ILE 93 CO 0.02 0.15 -0.23 0.00 -0.69 0.00 0.00 178.15 177.40 3i20 h ALA 94 N 1.61 -0.95 -2.23 1.87 0.00 -0.86 -3.33 119.26 115.37 3i20 h ALA 94 Ca 0.54 -0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.65 3i20 h ALA 94 Cb 0.76 0.45 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 3i20 h ALA 94 CO -0.35 -0.96 -0.19 -0.98 0.00 0.00 0.00 179.25 176.77 3i20 s ARG 95 N -4.27 3.03 -0.24 0.00 1.70 -0.93 -4.71 118.95 113.53 3i20 s ARG 95 Ca -0.08 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 53.95 3i20 s ARG 95 Cb 0.02 -4.12 0.02 0.00 -0.57 0.00 0.00 34.95 30.29 3i20 s ARG 95 CO 0.27 -1.10 0.09 0.54 -1.08 0.00 0.00 175.30 174.01 3i20 n ARG 96 N 5.56 -3.67 0.11 3.89 1.74 -1.24 -4.74 116.66 118.31 3i20 n ARG 96 Ca -0.10 2.89 0.09 0.00 -0.77 0.00 0.00 57.85 59.95 3i20 n ARG 96 Cb 0.44 -4.92 0.02 0.00 -1.02 0.00 0.00 32.46 26.98 3i20 n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3i20 h PRO 97 N 3.52 0.00 -1.07 5.56 0.11 -1.66 -3.29 132.00 135.18 3i20 h PRO 97 Ca -0.20 0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.20 3i20 h PRO 97 Cb 0.50 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.55 3i20 h PRO 97 CO 0.06 0.10 0.73 0.93 -0.21 0.00 0.00 178.00 179.61 3i20 h GLU 98 N 0.00 0.18 0.04 1.05 3.07 -1.89 -2.07 114.58 114.96 3i20 h GLU 98 Ca -0.03 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3i20 h GLU 98 Cb 1.15 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.98 3i20 h GLU 98 CO 0.01 0.12 -0.21 -0.09 -1.40 0.00 0.00 179.01 177.44 3i20 h ARG 99 N 0.19 -0.35 -0.65 2.33 9.65 -1.92 -2.86 114.38 120.77 3i20 h ARG 99 Ca 0.56 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.56 3i20 h ARG 99 Cb 1.81 0.08 -0.12 0.00 -1.39 0.00 0.00 29.97 30.36 3i20 h ARG 99 CO -0.15 -0.23 -0.41 0.28 2.80 0.00 0.00 179.97 182.26 3i20 h VAL 100 N -0.36 0.09 -0.68 0.20 2.07 -1.62 0.86 116.25 116.82 3i20 h VAL 100 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3i20 h VAL 100 Cb 0.42 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3i20 h VAL 100 CO -0.17 0.00 0.38 0.40 0.02 0.00 0.00 177.57 178.20 3i20 h ILE 101 N -0.18 1.21 0.00 4.57 1.08 -1.69 -2.50 117.51 120.01 3i20 h ILE 101 Ca 0.21 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3i20 h ILE 101 Cb 0.56 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3i20 h ILE 101 CO -0.73 0.23 0.00 -0.62 -0.69 0.00 0.00 178.15 176.33 3i20 n GLU 102 N -4.52 0.00 -0.62 2.37 1.02 0.15 -1.24 120.64 117.79 3i20 n GLU 102 Ca 0.05 0.20 0.49 0.00 -0.02 0.00 0.00 57.16 57.88 3i20 n GLU 102 Cb 0.08 -1.10 0.80 0.00 -0.02 0.00 0.00 31.44 31.20 3i20 n GLU 102 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3i20 h ILE 103 N 0.00 0.08 0.50 -3.67 -0.00 -1.26 0.81 117.51 113.98 3i20 h ILE 103 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.83 3i20 h ILE 103 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 36.90 3i20 h ILE 103 CO 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 178.15 177.91 3i20 h ALA 104 N 1.13 -0.75 -0.67 0.16 0.00 -1.07 -1.98 119.26 116.07 3i20 h ALA 104 Ca 0.87 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.58 3i20 h ALA 104 Cb 3.44 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 21.46 3i20 h ALA 104 CO -0.05 -0.70 0.20 -0.39 0.00 0.00 0.00 179.25 178.31 3i20 h VAL 105 N -1.05 1.25 -0.45 0.00 -1.51 0.49 -0.43 116.25 114.55 3i20 h VAL 105 Ca -0.07 -0.87 0.09 0.00 -1.23 0.00 0.00 66.70 64.62 3i20 h VAL 105 Cb 0.52 0.52 -0.09 0.00 -2.13 0.00 0.00 31.29 30.10 3i20 h VAL 105 CO 0.11 0.34 -0.21 0.50 -1.23 0.00 0.00 177.57 177.08 3i20 h LYS 106 N 1.00 -0.11 0.00 5.19 3.64 -1.05 0.35 116.57 125.59 3i20 h LYS 106 Ca 0.22 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3i20 h LYS 106 Cb 0.30 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3i20 h LYS 106 CO -0.01 -0.08 0.27 0.78 -2.27 0.00 0.00 179.45 178.15 3i20 h GLY 107 N -0.12 0.00 -0.32 5.01 0.00 -0.26 0.10 103.07 107.48 3i20 h GLY 107 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3i20 h GLY 107 CO -0.53 0.00 -0.38 1.03 0.00 0.00 0.00 176.54 176.66 3i20 n MET 108 N -2.32 2.46 -3.27 4.80 2.81 0.11 -4.95 117.12 116.78 3i20 n MET 108 Ca -0.01 -0.39 -0.28 0.00 -1.81 0.00 0.00 57.70 55.21 3i20 n MET 108 Cb 0.30 -1.11 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 3i20 n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i20 s LEU 109 N -2.10 4.01 0.75 4.03 1.43 0.36 -4.97 118.68 122.18 3i20 s LEU 109 Ca 0.08 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3i20 s LEU 109 Cb 0.09 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.79 3i20 s LEU 109 CO 0.38 -0.24 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 3i20 s PRO 110 N -3.70 2.50 0.00 1.29 0.04 -1.26 -4.95 135.00 128.92 3i20 s PRO 110 Ca 0.44 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3i20 s PRO 110 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3i20 s PRO 110 CO 0.31 -1.33 0.00 0.36 0.04 0.00 0.00 177.00 176.38 3i20 n LYS 111 N -3.24 0.00 0.00 4.56 -0.00 -1.26 -4.26 118.16 113.97 3i20 n LYS 111 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3i20 n LYS 111 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 3i20 n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i20 n GLY 112 N 0.00 1.50 0.13 2.58 0.00 -1.26 -4.70 105.19 103.44 3i20 n GLY 112 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 3i20 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i20 n PRO 113 N 0.00 -0.13 -0.13 1.61 -0.02 -1.26 0.13 135.00 135.19 3i20 n PRO 113 Ca 0.00 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 3i20 n PRO 113 Cb 0.00 -1.25 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 3i20 n PRO 113 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i20 h LEU 114 N 0.00 0.56 0.28 2.45 6.46 -1.95 -2.64 115.31 120.46 3i20 h LEU 114 Ca 0.05 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3i20 h LEU 114 Cb 0.12 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3i20 h LEU 114 CO -0.28 0.61 -0.37 1.23 -0.62 0.00 0.00 178.44 179.00 3i20 h GLY 115 N 0.48 -1.14 -0.61 3.75 0.00 0.82 -0.80 103.07 105.56 3i20 h GLY 115 Ca 0.12 0.54 0.18 0.00 0.00 0.00 0.00 47.33 48.18 3i20 h GLY 115 CO -0.01 -0.34 -0.10 3.21 0.00 0.00 0.00 176.54 179.30 3i20 h ARG 116 N -0.67 0.03 -0.91 4.80 3.08 -1.04 0.74 114.38 120.41 3i20 h ARG 116 Ca -0.03 -0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.20 3i20 h ARG 116 Cb 0.61 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.54 3i20 h ARG 116 CO -0.10 0.02 0.47 0.00 -1.07 0.00 0.00 179.97 179.30 3i20 h ALA 117 N 1.82 1.45 -0.37 0.04 0.00 -0.84 -1.35 119.26 120.01 3i20 h ALA 117 Ca 0.44 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 3i20 h ALA 117 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i20 h ALA 117 CO -0.81 -0.17 -0.15 0.52 0.00 0.00 0.00 179.25 178.65 3i20 h MET 118 N 0.59 0.76 -0.70 0.00 2.86 0.18 -2.56 114.93 116.06 3i20 h MET 118 Ca 0.53 -0.32 0.13 0.00 -2.06 0.00 0.00 59.70 57.98 3i20 h MET 118 Cb 0.87 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 3i20 h MET 118 CO -0.42 0.93 0.47 0.35 1.06 0.00 0.00 176.91 179.29 3i20 h PHE 119 N 0.56 0.48 -0.19 -0.22 3.04 -0.23 -2.27 116.94 118.12 3i20 h PHE 119 Ca 0.09 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.11 3i20 h PHE 119 Cb 0.68 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3i20 h PHE 119 CO 0.06 0.20 0.17 0.00 -2.02 0.00 0.00 178.31 176.72 3i20 h ARG 120 N 0.43 0.00 -0.01 1.11 3.08 -1.11 0.14 114.38 118.01 3i20 h ARG 120 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3i20 h ARG 120 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3i20 h ARG 120 CO -0.10 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.43 3i20 n LYS 121 N -4.04 1.04 -3.47 0.04 5.02 -0.85 -4.73 118.16 111.17 3i20 n LYS 121 Ca 0.02 -0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 3i20 n LYS 121 Cb 0.30 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 3i20 n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i20 s LEU 122 N -1.37 5.07 -0.31 -0.35 2.96 0.47 -2.51 118.68 122.64 3i20 s LEU 122 Ca 0.19 -0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 3i20 s LEU 122 Cb 0.09 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3i20 s LEU 122 CO 0.14 -0.44 0.05 -0.54 -1.32 0.00 0.00 176.35 174.25 3i20 s LYS 123 N 1.68 2.68 -0.01 1.98 3.01 -0.87 -5.00 119.74 123.21 3i20 s LYS 123 Ca 0.05 -1.12 -0.01 0.00 -1.01 0.00 0.00 55.97 53.88 3i20 s LYS 123 Cb -0.19 -3.31 -0.00 0.00 -1.01 0.00 0.00 37.83 33.32 3i20 s LYS 123 CO 0.10 -0.58 -0.02 -0.39 0.51 0.00 0.00 175.35 174.97 3i20 h VAL 124 N 6.19 0.00 -2.48 3.17 -1.51 -1.86 1.04 116.25 120.80 3i20 h VAL 124 Ca -0.25 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3i20 h VAL 124 Cb 1.09 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 3i20 h VAL 124 CO 0.58 0.00 -0.62 -1.22 -1.23 0.00 0.00 177.57 175.08 3i20 n TYR 125 N -2.45 -2.93 0.70 5.19 4.01 -1.26 -3.28 117.16 117.14 3i20 n TYR 125 Ca -0.01 1.57 0.08 0.00 -0.16 0.00 0.00 57.90 59.38 3i20 n TYR 125 Cb 0.02 -2.67 -0.10 0.00 -0.31 0.00 0.00 39.34 36.29 3i20 n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i20 n ALA 126 N -1.17 4.02 -1.30 -0.72 0.00 -1.26 -2.61 120.51 117.46 3i20 n ALA 126 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3i20 n ALA 126 Cb 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3i20 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 127 N 1.41 0.01 0.41 0.00 0.00 -1.26 -3.75 105.19 102.02 3i20 n GLY 127 Ca 0.02 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.36 3i20 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i20 n ASN 128 N -0.09 1.51 -3.61 1.61 4.05 -1.26 0.41 115.26 117.89 3i20 n ASN 128 Ca 0.00 -2.86 -0.11 0.00 0.45 0.00 0.00 54.58 52.07 3i20 n ASN 128 Cb 0.00 -0.38 -0.04 0.00 1.23 0.00 0.00 39.78 40.60 3i20 n ASN 128 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3i20 s GLU 129 N -1.94 1.77 0.10 1.20 4.04 -1.26 -5.00 118.70 117.61 3i20 s GLU 129 Ca 0.25 -1.42 -0.15 0.00 0.04 0.00 0.00 54.97 53.69 3i20 s GLU 129 Cb 0.24 0.49 0.03 0.00 0.02 0.00 0.00 34.13 34.91 3i20 s GLU 129 CO -0.01 -0.76 0.37 -3.38 -1.84 0.00 0.00 175.26 169.63 3i20 s HIS 130 N -3.47 -0.16 -0.25 4.83 -3.43 -1.26 -5.00 115.29 106.55 3i20 s HIS 130 Ca 0.23 -0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.40 3i20 s HIS 130 Cb -0.02 0.20 0.38 0.00 -1.43 0.00 0.00 32.58 31.71 3i20 s HIS 130 CO 0.13 -0.64 1.52 0.27 -2.00 0.00 0.00 174.74 174.01 3i20 n ASN 131 N -0.02 3.43 -0.96 7.38 6.94 -1.26 -4.32 115.26 126.46 3i20 n ASN 131 Ca -0.17 -2.91 0.03 0.00 -0.02 0.00 0.00 54.58 51.51 3i20 n ASN 131 Cb 0.63 -0.69 0.22 0.00 -2.36 0.00 0.00 39.78 37.58 3i20 n ASN 131 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i20 n HIS 132 N -0.43 0.95 -0.24 -2.53 8.25 -1.26 -4.70 115.22 115.26 3i20 n HIS 132 Ca 0.34 -1.21 0.03 0.00 -0.26 0.00 0.00 57.72 56.61 3i20 n HIS 132 Cb 1.16 -0.39 0.12 0.00 1.12 0.00 0.00 29.99 32.01 3i20 n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i20 h ALA 133 N 1.30 0.64 -0.97 -1.41 0.00 -2.00 -0.33 119.26 116.48 3i20 h ALA 133 Ca 0.10 0.24 0.28 0.00 0.00 0.00 0.00 54.91 55.54 3i20 h ALA 133 Cb 1.52 0.45 -0.14 0.00 0.00 0.00 0.00 17.79 19.61 3i20 h ALA 133 CO 0.29 -0.42 0.49 0.00 0.00 0.00 0.00 179.25 179.61 3i20 h ALA 134 N 1.68 1.74 -0.01 0.00 0.00 -1.97 1.36 119.26 122.05 3i20 h ALA 134 Ca 0.37 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3i20 h ALA 134 Cb 0.62 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i20 h ALA 134 CO -0.66 -0.48 0.07 1.96 0.00 0.00 0.00 179.25 180.14 3i20 h GLN 135 N 0.35 0.00 -5.15 0.00 1.08 -1.43 -3.45 115.11 106.51 3i20 h GLN 135 Ca 0.67 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.57 3i20 h GLN 135 Cb 1.43 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 29.00 3i20 h GLN 135 CO -0.59 0.00 -0.64 1.04 -0.95 0.00 0.00 178.83 177.69 3i20 n GLN 136 N -3.17 -5.99 -1.87 1.46 6.02 0.46 -4.85 117.38 109.45 3i20 n GLN 136 Ca -0.03 0.73 -0.39 0.00 -0.01 0.00 0.00 57.00 57.30 3i20 n GLN 136 Cb 0.14 -5.40 0.02 0.00 1.02 0.00 0.00 30.24 26.01 3i20 n GLN 136 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i20 s PRO 137 N -5.40 3.53 0.36 -1.09 0.04 -1.26 -4.87 135.00 126.30 3i20 s PRO 137 Ca 0.12 2.26 0.08 0.00 0.04 0.00 0.00 61.00 63.50 3i20 s PRO 137 Cb -0.05 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3i20 s PRO 137 CO 0.63 -0.88 0.24 1.14 0.04 0.00 0.00 177.00 178.17 3i20 s GLN 138 N -2.61 2.52 0.05 4.56 -2.07 -0.69 -4.76 119.66 116.67 3i20 s GLN 138 Ca 0.64 -1.47 -0.13 0.00 -1.82 0.00 0.00 55.36 52.58 3i20 s GLN 138 Cb -0.40 -2.31 -0.06 0.00 -1.09 0.00 0.00 33.01 29.15 3i20 s GLN 138 CO 0.50 0.03 0.43 0.54 -1.32 0.00 0.00 175.29 175.48 3i20 s VAL 139 N -2.40 5.02 0.19 3.63 0.11 -1.26 0.18 120.40 125.87 3i20 s VAL 139 Ca 0.41 0.73 0.03 0.00 -2.93 0.00 0.00 61.98 60.22 3i20 s VAL 139 Cb -0.03 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 3i20 s VAL 139 CO 0.25 0.44 0.19 0.00 -3.33 0.00 0.00 175.10 172.65 3i20 n LEU 140 N 1.38 0.00 0.00 2.54 -0.00 -1.12 -4.84 117.00 114.96 3i20 n LEU 140 Ca -0.11 -1.78 0.00 0.00 -0.00 0.00 0.00 56.01 54.13 3i20 n LEU 140 Cb 0.52 1.07 0.00 0.00 -0.00 0.00 0.00 43.42 45.01 3i20 n LEU 140 CO 0.40 -0.32 0.00 0.47 -0.00 0.00 0.00 177.39 177.94 3i20 n ASP 141 N -2.16 0.00 0.00 1.45 8.00 -1.26 -4.50 116.55 118.08 3i20 n ASP 141 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3i20 n ASP 141 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 3i20 n ASP 141 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43