#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n ARG 2 N 0.00 0.09 0.31 0.00 3.00 -1.26 -4.88 116.66 113.92 3i21 n ARG 2 Ca 0.00 0.07 -0.16 0.00 -0.01 0.00 0.00 57.85 57.75 3i21 n ARG 2 Cb 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 32.46 30.64 3i21 n ARG 2 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 3i21 h TYR 3 N -0.76 -0.73 0.00 -1.55 3.20 -2.02 -3.47 116.97 111.63 3i21 h TYR 3 Ca -0.45 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3i21 h TYR 3 Cb 1.33 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.84 3i21 h TYR 3 CO 0.34 -0.41 0.00 1.28 -1.64 0.00 0.00 178.16 177.74 3i21 n LEU 4 N -5.38 0.00 0.00 2.82 4.77 -1.26 -5.00 117.00 112.95 3i21 n LEU 4 Ca -0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.84 3i21 n LEU 4 Cb 0.34 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3i21 n LEU 4 CO 0.34 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 177.06 3i21 n GLY 5 N -2.00 0.50 3.67 -0.72 0.00 -1.26 -5.06 105.19 100.32 3i21 n GLY 5 Ca 0.00 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3i21 n GLY 5 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i21 n PRO 6 N -1.16 1.24 -0.05 1.61 -0.04 -1.26 -4.98 135.00 130.36 3i21 n PRO 6 Ca 0.01 0.46 -0.05 0.00 -0.04 0.00 0.00 63.50 63.88 3i21 n PRO 6 Cb 0.05 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 3i21 n PRO 6 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i21 n LYS 7 N -0.94 1.84 -0.30 0.54 5.02 -1.26 -4.55 118.16 118.52 3i21 n LYS 7 Ca 0.12 0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.45 3i21 n LYS 7 Cb 0.45 -1.22 0.15 0.00 -0.02 0.00 0.00 35.03 34.40 3i21 n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3i21 h LEU 8 N 0.00 0.78 -0.88 -0.35 -0.00 -1.94 -1.39 115.31 111.53 3i21 h LEU 8 Ca -0.23 0.03 0.14 0.00 -0.00 0.00 0.00 57.88 57.82 3i21 h LEU 8 Cb 1.47 -0.13 -0.15 0.00 -0.00 0.00 0.00 40.66 41.86 3i21 h LEU 8 CO -0.00 0.48 -0.32 0.29 -0.00 0.00 0.00 178.44 178.88 3i21 n LYS 9 N -4.67 -0.18 0.00 1.13 5.02 -1.26 0.35 118.16 118.55 3i21 n LYS 9 Ca 0.13 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.78 3i21 n LYS 9 Cb 0.21 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3i21 n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i21 n LEU 10 N -5.32 0.00 -0.34 -0.35 4.32 -0.53 0.44 117.00 115.22 3i21 n LEU 10 Ca 0.10 0.96 0.19 0.00 -0.02 0.00 0.00 56.01 57.24 3i21 n LEU 10 Cb 0.37 -0.46 0.37 0.00 -1.62 0.00 0.00 43.42 42.08 3i21 n LEU 10 CO -0.12 -0.46 0.87 0.28 -1.22 0.00 0.00 177.39 176.75 3i21 h SER 11 N 0.00 -0.26 0.24 -1.43 0.02 -1.49 0.18 113.55 110.81 3i21 h SER 11 Ca 0.00 0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3i21 h SER 11 Cb 0.00 0.43 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3i21 h SER 11 CO 0.00 -0.38 -0.47 -0.09 -1.14 0.00 0.00 176.83 174.75 3i21 h ARG 12 N 0.01 -0.76 -0.87 3.45 2.43 0.46 0.13 114.38 119.23 3i21 h ARG 12 Ca 0.67 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.91 3i21 h ARG 12 Cb 1.50 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 31.18 3i21 h ARG 12 CO -0.88 -0.50 0.58 -0.09 -1.51 0.00 0.00 179.97 177.56 3i21 h ARG 13 N -0.78 1.12 -0.00 0.20 9.65 0.29 -1.36 114.38 123.49 3i21 h ARG 13 Ca -0.01 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3i21 h ARG 13 Cb 0.76 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3i21 h ARG 13 CO -0.20 0.74 -0.04 0.39 2.80 0.00 0.00 179.97 183.66 3i21 n GLU 14 N -4.42 0.47 -2.21 0.20 -0.58 -0.27 -4.91 120.64 108.92 3i21 n GLU 14 Ca 0.11 -0.06 -0.18 0.00 -0.42 0.00 0.00 57.16 56.61 3i21 n GLU 14 Cb 0.05 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.40 3i21 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i21 n GLY 15 N 1.30 -0.02 3.49 0.62 0.00 0.40 -4.97 105.19 106.01 3i21 n GLY 15 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i21 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i21 s THR 16 N -2.85 0.00 -0.05 2.61 2.01 -0.89 -4.82 115.64 111.66 3i21 s THR 16 Ca 0.00 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 3i21 s THR 16 Cb 0.00 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 3i21 s THR 16 CO 0.00 -0.01 1.63 -0.62 -0.69 0.00 0.00 174.62 174.93 3i21 s ASP 17 N -1.52 6.68 0.00 3.53 -1.08 -1.26 -4.43 116.67 118.59 3i21 s ASP 17 Ca -0.09 2.23 0.16 0.00 -0.52 0.00 0.00 52.55 54.34 3i21 s ASP 17 Cb -0.00 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.40 3i21 s ASP 17 CO 0.05 -0.91 1.39 0.18 0.52 0.00 0.00 175.17 176.40 3i21 n LEU 18 N 6.93 2.32 -0.62 -1.34 4.77 -1.26 -4.88 117.00 122.92 3i21 n LEU 18 Ca 0.17 -1.10 -0.08 0.00 -0.03 0.00 0.00 56.01 54.97 3i21 n LEU 18 Cb 0.43 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3i21 n LEU 18 CO 0.62 0.55 -0.07 0.49 -1.33 0.00 0.00 177.39 177.65 3i21 n PHE 19 N 0.76 -0.03 -0.54 -1.77 3.01 -1.26 -4.82 117.46 112.80 3i21 n PHE 19 Ca 0.16 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.32 3i21 n PHE 19 Cb 0.39 -2.44 0.21 0.00 -0.01 0.00 0.00 39.48 37.63 3i21 n PHE 19 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i21 n LEU 20 N -0.90 -1.95 -2.46 4.37 4.77 -1.26 -3.93 117.00 115.63 3i21 n LEU 20 Ca -0.08 -0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 55.62 3i21 n LEU 20 Cb 0.53 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3i21 n LEU 20 CO 0.12 -3.34 -0.02 1.17 -1.33 0.00 0.00 177.39 173.99 3i21 n LYS 21 N -3.37 -0.15 -1.92 3.23 4.81 -1.26 -4.84 118.16 114.67 3i21 n LYS 21 Ca 0.03 0.07 -0.07 0.00 -0.87 0.00 0.00 58.31 57.48 3i21 n LYS 21 Cb 0.57 -0.20 0.01 0.00 0.02 0.00 0.00 35.03 35.43 3i21 n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i21 n SER 22 N 0.29 1.14 0.00 3.14 2.88 -1.25 -4.93 113.62 114.89 3i21 n SER 22 Ca -0.03 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 3i21 n SER 22 Cb 0.06 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 3i21 n SER 22 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i21 n GLY 23 N 3.12 -1.26 1.45 0.46 0.00 -1.26 -4.98 105.19 102.72 3i21 n GLY 23 Ca 0.01 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3i21 n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i21 n VAL 24 N -1.23 0.00 0.00 1.61 0.24 -1.26 -3.95 118.33 113.74 3i21 n VAL 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i21 n VAL 24 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i21 n VAL 24 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i21 n ARG 25 N 0.00 0.00 0.00 7.34 1.74 -1.26 -4.72 116.66 119.76 3i21 n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i21 n ARG 25 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i21 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i21 n ALA 26 N 0.00 0.00 -2.74 7.54 0.00 -1.25 -4.87 120.51 119.19 3i21 n ALA 26 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i21 n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i21 n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i21 n ILE 27 N 0.00 -1.29 -1.35 0.00 5.41 -1.26 -4.46 119.36 116.41 3i21 n ILE 27 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.93 3i21 n ILE 27 Cb 0.00 -1.15 -0.07 0.00 -0.71 0.00 0.00 39.64 37.71 3i21 n ILE 27 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3i21 n ASP 28 N -0.39 -8.11 -1.50 4.38 -0.08 -1.26 -5.02 116.55 104.57 3i21 n ASP 28 Ca -0.10 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.16 3i21 n ASP 28 Cb 0.27 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.34 3i21 n ASP 28 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3i21 n THR 29 N -4.20 -4.81 0.00 5.18 -1.04 -1.26 -4.42 114.28 103.73 3i21 n THR 29 Ca -0.04 2.17 0.00 0.00 -2.04 0.00 0.00 64.05 64.14 3i21 n THR 29 Cb 0.63 -3.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.10 3i21 n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i21 n LYS 30 N -1.11 0.00 -0.26 -2.82 4.01 -1.26 -4.22 118.16 112.50 3i21 n LYS 30 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.84 3i21 n LYS 30 Cb 0.06 -0.04 0.18 0.00 -0.51 0.00 0.00 35.03 34.71 3i21 n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i21 n LYS 32 N -4.91 0.00 -1.49 0.00 5.02 -1.26 -4.91 118.16 110.61 3i21 n LYS 32 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3i21 n LYS 32 Cb 0.37 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 3i21 n LYS 32 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3i21 n ILE 33 N 0.00 -1.30 0.00 -0.18 0.13 -1.26 -4.51 119.36 112.24 3i21 n ILE 33 Ca 0.00 0.60 0.00 0.00 -1.10 0.00 0.00 62.75 62.25 3i21 n ILE 33 Cb 0.00 -0.79 0.00 0.00 -0.84 0.00 0.00 39.64 38.01 3i21 n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3i21 n GLU 34 N 0.15 0.00 0.00 9.51 0.00 -1.20 -4.62 120.64 124.48 3i21 n GLU 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i21 n GLU 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3i21 n GLU 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i21 n GLN 35 N 0.00 0.00 -3.41 5.31 10.64 -1.26 -3.00 117.38 125.66 3i21 n GLN 35 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 3i21 n GLN 35 Cb 0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 3i21 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3i21 s ALA 36 N -0.36 0.08 -0.28 2.61 0.00 -1.26 -4.28 121.76 118.27 3i21 s ALA 36 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3i21 s ALA 36 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3i21 s ALA 36 CO 0.00 -2.04 0.49 -2.30 0.00 0.00 0.00 175.76 171.91 3i21 n PRO 37 N 4.38 0.57 0.00 0.00 -0.02 -1.16 -4.46 135.00 134.31 3i21 n PRO 37 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3i21 n PRO 37 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3i21 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i21 n GLY 38 N 0.57 -0.17 5.02 -1.23 0.00 -1.26 -4.82 105.19 103.30 3i21 n GLY 38 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i21 n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i21 n GLN 39 N 0.00 0.00 0.00 1.61 7.27 -1.26 -2.76 117.38 122.24 3i21 n GLN 39 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 3i21 n GLN 39 Cb 0.00 0.00 0.13 0.00 2.41 0.00 0.00 30.24 32.78 3i21 n GLN 39 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i21 n HIS 40 N 0.00 0.00 0.31 3.69 8.25 -1.26 -1.77 115.22 124.44 3i21 n HIS 40 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 3i21 n HIS 40 Cb 0.00 0.00 0.68 0.00 1.12 0.00 0.00 29.99 31.79 3i21 n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3i21 h GLY 41 N 1.11 0.00 2.00 -1.41 0.00 -1.83 -1.48 103.07 101.46 3i21 h GLY 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i21 h GLY 41 CO 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.54 3i21 h ALA 42 N 2.07 1.00 -2.24 3.60 0.00 -1.53 -3.38 119.26 118.78 3i21 h ALA 42 Ca 0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 3i21 h ALA 42 Cb 0.43 -0.00 0.19 0.00 0.00 0.00 0.00 17.79 18.40 3i21 h ALA 42 CO 0.00 0.00 0.10 1.03 0.00 0.00 0.00 179.25 180.39 3i21 s ARG 43 N -3.93 -0.19 -0.64 0.00 3.00 -0.56 -4.99 118.95 111.63 3i21 s ARG 43 Ca -0.02 0.78 -0.01 0.00 0.00 0.00 0.00 55.73 56.47 3i21 s ARG 43 Cb 0.11 -1.64 0.16 0.00 0.00 0.00 0.00 34.95 33.58 3i21 s ARG 43 CO 0.47 -3.22 0.45 0.21 0.00 0.00 0.00 175.30 173.21 3i21 s LYS 44 N -4.68 2.55 0.55 3.54 2.20 -1.26 -5.04 119.74 117.60 3i21 s LYS 44 Ca 0.67 -2.66 -0.21 0.00 -0.36 0.00 0.00 55.97 53.41 3i21 s LYS 44 Cb -0.22 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 3i21 s LYS 44 CO 0.61 -1.18 1.30 -2.14 -0.36 0.00 0.00 175.35 173.58 3i21 s PRO 45 N -0.30 3.13 -0.11 4.03 0.02 -1.26 -4.97 135.00 135.54 3i21 s PRO 45 Ca 0.18 2.09 -0.09 0.00 0.02 0.00 0.00 61.00 63.20 3i21 s PRO 45 Cb -0.19 -2.18 -0.27 0.00 0.02 0.00 0.00 34.50 31.88 3i21 s PRO 45 CO -0.04 -1.15 0.42 0.00 -0.33 0.00 0.00 177.00 175.90 3i21 h ARG 46 N 1.34 0.27 -4.31 5.54 2.47 -2.05 -3.51 114.38 114.13 3i21 h ARG 46 Ca -0.51 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 57.75 3i21 h ARG 46 Cb 1.30 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 3i21 h ARG 46 CO 0.57 1.22 -0.85 1.28 0.56 0.00 0.00 179.97 182.75 3i21 n LEU 47 N -3.59 -5.99 -4.79 3.04 4.32 -1.26 -5.01 117.00 103.73 3i21 n LEU 47 Ca -0.30 2.49 -0.29 0.00 -0.02 0.00 0.00 56.01 57.89 3i21 n LEU 47 Cb 1.02 -2.94 0.13 0.00 -1.62 0.00 0.00 43.42 40.01 3i21 n LEU 47 CO 0.43 -2.47 0.71 -0.94 -1.22 0.00 0.00 177.39 173.91 3i21 s SER 48 N -0.51 3.61 0.31 -1.43 1.04 -1.26 -4.65 113.70 110.80 3i21 s SER 48 Ca 0.00 1.00 0.06 0.00 0.48 0.00 0.00 55.95 57.49 3i21 s SER 48 Cb 0.00 -1.60 0.84 0.00 0.10 0.00 0.00 66.02 65.37 3i21 s SER 48 CO 0.00 -2.49 1.64 -0.78 0.98 0.00 0.00 173.24 172.58 3i21 h ASP 49 N -1.46 0.08 0.29 7.02 3.58 -2.00 0.13 116.42 124.06 3i21 h ASP 49 Ca -0.50 0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 3i21 h ASP 49 Cb 1.33 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.64 3i21 h ASP 49 CO 0.62 -0.19 -0.14 0.22 -2.88 0.00 0.00 179.24 176.86 3i21 h TYR 50 N 0.20 -0.36 -0.97 0.28 3.20 -2.00 -2.86 116.97 114.46 3i21 h TYR 50 Ca 0.62 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.72 3i21 h TYR 50 Cb 1.33 0.12 -0.18 0.00 1.54 0.00 0.00 36.73 39.54 3i21 h TYR 50 CO -0.22 -0.02 -0.08 0.41 -1.64 0.00 0.00 178.16 176.61 3i21 n GLY 51 N -0.25 -1.43 0.16 1.82 0.00 0.31 -0.42 105.19 105.37 3i21 n GLY 51 Ca -0.09 0.98 -0.14 0.00 0.00 0.00 0.00 46.02 46.77 3i21 n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i21 h VAL 52 N 0.00 0.80 -0.79 1.61 2.07 -1.12 -2.48 116.25 116.35 3i21 h VAL 52 Ca 0.54 -0.20 0.18 0.00 0.82 0.00 0.00 66.70 68.04 3i21 h VAL 52 Cb 1.02 0.92 -0.12 0.00 -1.52 0.00 0.00 31.29 31.59 3i21 h VAL 52 CO -0.94 0.04 0.22 1.56 0.02 0.00 0.00 177.57 178.47 3i21 h GLN 53 N -0.41 0.27 0.21 1.57 4.20 -0.50 0.45 115.11 120.89 3i21 h GLN 53 Ca -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3i21 h GLN 53 Cb 0.32 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3i21 h GLN 53 CO 0.05 0.18 -0.20 1.25 -0.67 0.00 0.00 178.83 179.44 3i21 h LEU 54 N 0.28 -0.56 -1.49 1.46 5.85 -1.02 -0.09 115.31 119.74 3i21 h LEU 54 Ca 0.46 0.04 0.31 0.00 0.84 0.00 0.00 57.88 59.53 3i21 h LEU 54 Cb 0.82 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 3i21 h LEU 54 CO -0.54 -0.27 0.74 0.03 -0.34 0.00 0.00 178.44 178.06 3i21 h ARG 55 N -0.41 0.26 -0.08 1.25 -0.00 -0.87 0.99 114.38 115.52 3i21 h ARG 55 Ca -0.03 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.98 59.25 3i21 h ARG 55 Cb 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.26 3i21 h ARG 55 CO -0.02 0.17 -0.73 1.49 0.00 0.00 0.00 179.97 180.88 3i21 h GLU 56 N 0.27 0.43 0.00 0.04 4.57 -0.48 0.21 114.58 119.62 3i21 h GLU 56 Ca 0.63 -0.35 -0.23 0.00 -1.18 0.00 0.00 59.36 58.23 3i21 h GLU 56 Cb 1.84 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.50 3i21 h GLU 56 CO -0.27 0.99 -0.95 1.57 -1.18 0.00 0.00 179.01 179.17 3i21 h LYS 57 N 0.29 0.41 -0.45 1.92 5.09 0.15 -3.27 116.57 120.71 3i21 h LYS 57 Ca -0.03 -0.45 -0.10 0.00 0.09 0.00 0.00 60.65 60.17 3i21 h LYS 57 Cb 1.31 0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.75 3i21 h LYS 57 CO 0.13 1.11 -0.10 0.37 -2.09 0.00 0.00 179.45 178.87 3i21 h GLN 58 N 0.23 0.87 0.39 0.07 5.75 0.97 -2.70 115.11 120.69 3i21 h GLN 58 Ca -0.08 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 3i21 h GLN 58 Cb 1.59 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.07 3i21 h GLN 58 CO 0.16 0.97 -0.36 -0.22 -2.65 0.00 0.00 178.83 176.73 3i21 h LYS 59 N 0.71 -0.71 -0.96 1.69 3.64 -0.67 -1.46 116.57 118.80 3i21 h LYS 59 Ca 0.12 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 3i21 h LYS 59 Cb 0.64 0.16 -0.13 0.00 -0.41 0.00 0.00 32.23 32.49 3i21 h LYS 59 CO 0.04 -0.47 -0.54 0.28 -2.27 0.00 0.00 179.45 176.49 3i21 h VAL 60 N -0.74 0.00 -0.65 2.00 2.07 -1.61 0.11 116.25 117.44 3i21 h VAL 60 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.60 3i21 h VAL 60 Cb 0.63 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 3i21 h VAL 60 CO -0.02 0.00 -0.18 0.03 0.02 0.00 0.00 177.57 177.41 3i21 h ARG 61 N -0.02 -0.02 0.00 1.57 3.08 -1.16 0.42 114.38 118.25 3i21 h ARG 61 Ca 0.20 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3i21 h ARG 61 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3i21 h ARG 61 CO -0.93 -0.01 -0.23 0.00 -1.07 0.00 0.00 179.97 177.72 3i21 h ARG 62 N -0.02 0.00 -0.01 0.04 2.47 0.03 0.40 114.38 117.29 3i21 h ARG 62 Ca 0.31 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.78 3i21 h ARG 62 Cb 0.49 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.82 3i21 h ARG 62 CO -0.68 0.23 -0.98 0.82 0.56 0.00 0.00 179.97 179.93 3i21 h ILE 63 N 0.00 1.34 -0.31 2.04 2.04 0.22 -3.20 117.51 119.63 3i21 h ILE 63 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 3i21 h ILE 63 Cb 0.53 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3i21 h ILE 63 CO 0.03 0.71 0.00 -1.22 0.00 0.00 0.00 178.15 177.67 3i21 n TYR 64 N -3.81 0.40 -3.37 1.37 4.02 -0.29 -4.97 117.16 110.51 3i21 n TYR 64 Ca -0.09 -0.27 -0.20 0.00 -0.01 0.00 0.00 57.90 57.34 3i21 n TYR 64 Cb 0.85 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.23 3i21 n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i21 n GLY 65 N 1.09 -0.30 3.27 2.72 0.00 0.12 -5.00 105.19 107.09 3i21 n GLY 65 Ca 0.15 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3i21 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i21 s VAL 66 N -3.25 3.27 1.20 1.61 1.01 0.07 -4.88 120.40 119.42 3i21 s VAL 66 Ca 0.47 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 3i21 s VAL 66 Cb -0.21 -2.61 0.23 0.00 0.00 0.00 0.00 36.38 33.79 3i21 s VAL 66 CO 0.58 0.24 0.53 0.18 0.00 0.00 0.00 175.10 176.63 3i21 n LEU 67 N 4.75 -1.77 0.40 3.92 4.32 -1.26 -4.69 117.00 122.67 3i21 n LEU 67 Ca -0.17 -0.32 -0.18 0.00 -0.02 0.00 0.00 56.01 55.32 3i21 n LEU 67 Cb 0.48 -1.04 -0.09 0.00 -1.62 0.00 0.00 43.42 41.16 3i21 n LEU 67 CO 0.28 -3.46 0.60 -0.08 -1.22 0.00 0.00 177.39 173.51 3i21 h GLU 68 N -2.66 -0.95 0.00 3.23 4.57 -1.99 -2.67 114.58 114.11 3i21 h GLU 68 Ca -0.52 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3i21 h GLU 68 Cb 1.28 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 3i21 h GLU 68 CO 0.37 -0.63 0.00 0.54 -1.18 0.00 0.00 179.01 178.12 3i21 n ARG 69 N -5.50 0.00 -0.18 1.92 5.12 -1.26 0.22 116.66 116.98 3i21 n ARG 69 Ca -0.14 0.34 0.01 0.00 -1.93 0.00 0.00 57.85 56.13 3i21 n ARG 69 Cb 0.40 -0.95 0.04 0.00 -1.16 0.00 0.00 32.46 30.79 3i21 n ARG 69 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 3i21 n GLN 70 N -0.79 -0.09 -0.11 5.56 7.27 -1.25 0.25 117.38 128.22 3i21 n GLN 70 Ca 0.00 0.75 -0.10 0.00 0.07 0.00 0.00 57.00 57.73 3i21 n GLN 70 Cb 0.00 -1.12 -0.02 0.00 2.41 0.00 0.00 30.24 31.51 3i21 n GLN 70 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3i21 h PHE 71 N 0.00 0.50 -0.54 3.69 3.04 -0.96 -0.04 116.94 122.63 3i21 h PHE 71 Ca 0.19 -0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.18 3i21 h PHE 71 Cb 0.31 -0.15 -0.06 0.00 2.56 0.00 0.00 35.95 38.61 3i21 h PHE 71 CO -0.41 0.47 0.18 -0.09 -2.02 0.00 0.00 178.31 176.45 3i21 h ARG 72 N 0.39 0.35 0.00 1.11 9.65 0.42 0.37 114.38 126.67 3i21 h ARG 72 Ca 0.11 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3i21 h ARG 72 Cb 0.18 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3i21 h ARG 72 CO -0.01 0.23 -0.01 -0.91 2.80 0.00 0.00 179.97 182.07 3i21 h ASN 73 N 0.36 0.00 -0.09 -3.80 4.21 -0.24 0.32 115.58 116.33 3i21 h ASN 73 Ca 0.27 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.69 3i21 h ASN 73 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3i21 h ASN 73 CO -0.28 0.01 -0.28 1.88 -1.29 0.00 0.00 177.43 177.46 3i21 h TYR 74 N 0.00 0.46 -0.68 1.19 0.05 0.82 -0.67 116.97 118.14 3i21 h TYR 74 Ca -0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.59 3i21 h TYR 74 Cb 0.01 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3i21 h TYR 74 CO 0.00 0.90 0.41 -0.92 -1.05 0.00 0.00 178.16 177.50 3i21 h TYR 75 N -0.11 0.88 -0.74 4.88 5.03 0.07 1.09 116.97 128.07 3i21 h TYR 75 Ca -0.01 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 3i21 h TYR 75 Cb 0.90 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.86 3i21 h TYR 75 CO 0.12 0.58 0.27 -0.22 -1.32 0.00 0.00 178.16 177.59 3i21 h LYS 76 N 0.93 1.12 0.14 1.82 3.64 -0.30 -0.88 116.57 123.04 3i21 h LYS 76 Ca 0.24 -0.22 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 3i21 h LYS 76 Cb -0.05 -0.17 0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3i21 h LYS 76 CO -0.05 0.94 -1.02 1.49 -2.27 0.00 0.00 179.45 178.54 3i21 h GLU 77 N 1.08 0.44 -0.34 1.90 4.57 -0.30 -3.06 114.58 118.87 3i21 h GLU 77 Ca 0.24 -0.66 0.10 0.00 -1.18 0.00 0.00 59.36 57.86 3i21 h GLU 77 Cb 0.25 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3i21 h GLU 77 CO -0.02 1.30 0.39 0.00 -1.18 0.00 0.00 179.01 179.50 3i21 h ALA 78 N 0.17 2.00 0.01 2.92 0.00 0.13 -2.93 119.26 121.55 3i21 h ALA 78 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i21 h ALA 78 Cb 1.77 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3i21 h ALA 78 CO 0.19 -0.57 -0.07 0.00 0.00 0.00 0.00 179.25 178.80 3i21 h ALA 79 N 1.53 -0.58 -3.00 0.00 0.00 -1.04 -3.39 119.26 112.78 3i21 h ALA 79 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i21 h ALA 79 Cb 0.94 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i21 h ALA 79 CO -0.00 -0.60 0.00 0.54 0.00 0.00 0.00 179.25 179.19 3i21 n ARG 80 N -2.90 0.00 -2.45 0.00 1.74 -1.11 -4.61 116.66 107.34 3i21 n ARG 80 Ca -0.01 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.89 3i21 n ARG 80 Cb 0.06 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.49 3i21 n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3i21 n LEU 81 N 0.00 -1.64 0.00 0.55 4.77 -1.26 -4.34 117.00 115.08 3i21 n LEU 81 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i21 n LEU 81 Cb 0.00 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 3i21 n LEU 81 CO 0.00 -0.16 0.00 0.29 -1.33 0.00 0.00 177.39 176.19 3i21 n LYS 82 N -2.97 0.00 -0.89 3.23 4.76 -1.26 -4.80 118.16 116.23 3i21 n LYS 82 Ca -0.20 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.96 3i21 n LYS 82 Cb 0.65 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 34.05 3i21 n LYS 82 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i21 s GLY 83 N 0.00 1.56 -0.45 0.72 0.00 -1.26 -4.86 107.32 103.03 3i21 s GLY 83 Ca 0.00 -0.23 -0.45 0.00 0.00 0.00 0.00 44.72 44.03 3i21 s GLY 83 CO 0.00 0.42 1.64 -2.01 0.00 0.00 0.00 173.10 173.15 3i21 n ASN 84 N -4.50 1.46 -0.23 1.64 4.05 -1.26 -4.82 115.26 111.59 3i21 n ASN 84 Ca 0.04 1.16 0.05 0.00 0.45 0.00 0.00 54.58 56.28 3i21 n ASN 84 Cb 0.56 -0.94 0.30 0.00 1.23 0.00 0.00 39.78 40.93 3i21 n ASN 84 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3i21 h THR 85 N 5.08 1.05 0.09 -0.44 2.02 -1.82 -2.42 112.91 116.48 3i21 h THR 85 Ca -0.44 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3i21 h THR 85 Cb 1.36 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3i21 h THR 85 CO 0.98 0.16 -0.38 1.23 0.37 0.00 0.00 175.52 177.88 3i21 h GLY 86 N 0.88 -1.18 -0.02 2.16 0.00 -1.87 0.28 103.07 103.31 3i21 h GLY 86 Ca 0.34 0.61 0.01 0.00 0.00 0.00 0.00 47.33 48.30 3i21 h GLY 86 CO -0.12 -0.33 -0.30 0.83 0.00 0.00 0.00 176.54 176.63 3i21 h GLU 87 N -0.54 -0.34 -0.76 4.80 4.39 -1.94 -2.61 114.58 117.58 3i21 h GLU 87 Ca -0.01 0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.02 3i21 h GLU 87 Cb 0.54 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.13 3i21 h GLU 87 CO -0.20 -0.23 0.35 0.09 -1.16 0.00 0.00 179.01 177.86 3i21 n ASN 88 N -4.12 0.21 0.33 1.42 4.13 -0.92 0.32 115.26 116.64 3i21 n ASN 88 Ca -0.04 1.27 -0.16 0.00 1.68 0.00 0.00 54.58 57.34 3i21 n ASN 88 Cb 0.21 -0.59 -0.08 0.00 -1.54 0.00 0.00 39.78 37.78 3i21 n ASN 88 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3i21 h LEU 89 N 0.00 -0.73 -0.90 3.41 5.85 -0.56 -1.26 115.31 121.12 3i21 h LEU 89 Ca 0.62 -0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.54 3i21 h LEU 89 Cb 1.59 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.69 3i21 h LEU 89 CO -0.61 -0.39 0.40 -0.07 -0.34 0.00 0.00 178.44 177.43 3i21 h LEU 90 N -1.07 0.35 -1.16 2.25 -0.00 -0.00 0.13 115.31 115.80 3i21 h LEU 90 Ca -0.09 0.15 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 3i21 h LEU 90 Cb 0.70 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 3i21 h LEU 90 CO 0.14 0.01 -0.30 0.00 -0.00 0.00 0.00 178.44 178.30 3i21 h ALA 91 N 1.70 1.30 0.34 1.53 0.00 -0.99 -1.63 119.26 121.51 3i21 h ALA 91 Ca 0.56 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3i21 h ALA 91 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i21 h ALA 91 CO -0.52 0.48 -0.17 -0.07 0.00 0.00 0.00 179.25 178.98 3i21 h LEU 92 N 0.19 -0.39 0.15 0.00 3.38 0.47 0.90 115.31 120.01 3i21 h LEU 92 Ca 0.03 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3i21 h LEU 92 Cb 0.62 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3i21 h LEU 92 CO 0.05 -0.04 -0.36 -0.07 0.09 0.00 0.00 178.44 178.11 3i21 h LEU 93 N -0.79 -1.05 -0.18 1.67 3.38 -1.43 0.12 115.31 117.03 3i21 h LEU 93 Ca -0.05 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i21 h LEU 93 Cb 0.52 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3i21 h LEU 93 CO 0.08 -0.45 0.00 1.21 0.09 0.00 0.00 178.44 179.36 3i21 n GLU 94 N -5.44 0.02 0.09 1.13 4.07 -0.62 -0.34 120.64 119.55 3i21 n GLU 94 Ca -0.07 0.50 0.12 0.00 -0.06 0.00 0.00 57.16 57.64 3i21 n GLU 94 Cb 0.35 -1.56 0.08 0.00 -0.06 0.00 0.00 31.44 30.25 3i21 n GLU 94 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3i21 h GLY 95 N 0.21 0.00 -4.07 8.31 0.00 0.12 -3.42 103.07 104.23 3i21 h GLY 95 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3i21 h GLY 95 CO 0.00 0.00 0.79 0.50 0.00 0.00 0.00 176.54 177.83 3i21 s ARG 96 N -3.27 4.16 0.11 4.80 0.52 0.53 -2.15 118.95 123.65 3i21 s ARG 96 Ca 0.03 2.50 -0.29 0.00 -0.52 0.00 0.00 55.73 57.46 3i21 s ARG 96 Cb 0.11 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 32.48 3i21 s ARG 96 CO 0.76 -0.51 1.62 1.25 0.02 0.00 0.00 175.30 178.44 3i21 h LEU 97 N 3.81 -0.88 -0.98 2.53 5.85 -0.50 -1.04 115.31 124.10 3i21 h LEU 97 Ca -0.49 0.10 0.29 0.00 0.84 0.00 0.00 57.88 58.62 3i21 h LEU 97 Cb 1.23 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 42.44 3i21 h LEU 97 CO 0.70 -0.41 0.51 -2.24 -0.34 0.00 0.00 178.44 176.66 3i21 h ASP 98 N -0.56 0.45 -0.01 1.25 3.04 -1.79 -0.36 116.42 118.44 3i21 h ASP 98 Ca 0.02 0.18 -0.08 0.00 -3.24 0.00 0.00 57.03 53.91 3i21 h ASP 98 Cb 0.57 0.14 0.01 0.00 -1.04 0.00 0.00 39.33 39.01 3i21 h ASP 98 CO -0.15 -0.09 -0.29 -1.13 -2.04 0.00 0.00 179.24 175.54 3i21 h ASN 99 N 0.36 0.27 -0.84 4.15 -1.24 -1.75 -3.20 115.58 113.32 3i21 h ASN 99 Ca 0.68 -0.76 0.20 0.00 0.71 0.00 0.00 56.30 57.13 3i21 h ASN 99 Cb 1.47 -0.08 -0.12 0.00 0.73 0.00 0.00 38.32 40.31 3i21 h ASN 99 CO -0.59 0.99 0.29 0.58 -1.29 0.00 0.00 177.43 177.42 3i21 h VAL 100 N -0.43 0.46 -0.06 2.57 2.07 0.21 0.65 116.25 121.72 3i21 h VAL 100 Ca -0.03 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3i21 h VAL 100 Cb 1.03 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3i21 h VAL 100 CO 0.06 0.06 -0.42 0.58 0.02 0.00 0.00 177.57 177.87 3i21 h VAL 101 N 0.33 0.15 -0.18 2.57 2.07 -1.32 -3.18 116.25 116.69 3i21 h VAL 101 Ca 0.51 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.02 3i21 h VAL 101 Cb 0.94 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3i21 h VAL 101 CO -0.54 0.00 0.08 0.22 0.02 0.00 0.00 177.57 177.34 3i21 h TYR 102 N -0.53 0.27 0.00 1.57 3.20 0.06 -3.01 116.97 118.52 3i21 h TYR 102 Ca 0.06 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 3i21 h TYR 102 Cb 0.64 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 3i21 h TYR 102 CO -0.45 0.31 -0.11 0.54 -1.64 0.00 0.00 178.16 176.82 3i21 n ARG 103 N -4.86 1.78 0.00 1.82 5.12 0.14 -3.17 116.66 117.49 3i21 n ARG 103 Ca -0.04 -0.90 0.00 0.00 -1.93 0.00 0.00 57.85 54.97 3i21 n ARG 103 Cb 0.11 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 3i21 n ARG 103 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3i21 n MET 104 N 2.62 0.00 0.00 5.56 1.56 -1.14 -4.79 117.12 120.94 3i21 n MET 104 Ca 0.38 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.81 3i21 n MET 104 Cb 0.76 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.13 3i21 n MET 104 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i21 n GLY 105 N 0.00 2.05 3.50 -5.12 0.00 -1.19 -4.87 105.19 99.56 3i21 n GLY 105 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3i21 n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i21 n PHE 106 N 0.00 0.07 -1.57 1.61 3.72 -1.24 -2.47 117.46 117.59 3i21 n PHE 106 Ca 0.00 0.60 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 3i21 n PHE 106 Cb 0.00 -2.07 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 3i21 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i21 n GLY 107 N 1.59 -4.81 0.10 1.37 0.00 -1.26 -3.74 105.19 98.44 3i21 n GLY 107 Ca 0.11 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3i21 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 h ALA 108 N 2.70 0.67 -2.86 4.61 0.00 -1.84 -3.44 119.26 119.10 3i21 h ALA 108 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3i21 h ALA 108 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 3i21 h ALA 108 CO 0.00 0.00 -0.67 0.99 0.00 0.00 0.00 179.25 179.57 3i21 s THR 109 N -3.21 0.12 0.33 0.00 2.01 -1.26 -4.64 115.64 108.99 3i21 s THR 109 Ca 0.05 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.11 3i21 s THR 109 Cb 0.11 -0.44 0.30 0.00 0.01 0.00 0.00 72.50 72.48 3i21 s THR 109 CO 0.71 -0.55 1.90 0.03 -0.69 0.00 0.00 174.62 176.03 3i21 h ARG 110 N 4.40 0.82 0.12 4.92 3.08 -1.89 1.79 114.38 127.63 3i21 h ARG 110 Ca -0.32 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3i21 h ARG 110 Cb 1.20 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3i21 h ARG 110 CO 0.44 0.54 -0.06 0.00 -1.07 0.00 0.00 179.97 179.82 3i21 h ALA 111 N 1.57 -0.17 -0.03 0.04 0.00 -1.96 0.30 119.26 119.00 3i21 h ALA 111 Ca 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3i21 h ALA 111 Cb 0.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i21 h ALA 111 CO -0.17 -0.50 -0.05 1.49 0.00 0.00 0.00 179.25 180.02 3i21 h GLU 112 N -0.35 0.05 -0.56 0.00 4.81 -1.56 0.42 114.58 117.38 3i21 h GLU 112 Ca -0.02 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3i21 h GLU 112 Cb 0.29 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3i21 h GLU 112 CO 0.03 0.10 -0.08 0.00 -0.73 0.00 0.00 179.01 178.32 3i21 h ALA 113 N 1.91 0.77 0.21 2.92 0.00 0.32 0.15 119.26 125.54 3i21 h ALA 113 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3i21 h ALA 113 Cb 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i21 h ALA 113 CO 0.01 0.67 -0.10 -0.09 0.00 0.00 0.00 179.25 179.73 3i21 h ARG 114 N 0.93 -0.27 -0.64 0.00 2.43 0.92 -2.80 114.38 114.95 3i21 h ARG 114 Ca 0.15 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 3i21 h ARG 114 Cb 0.65 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 3i21 h ARG 114 CO 0.05 0.10 -0.46 0.37 -1.51 0.00 0.00 179.97 178.51 3i21 h GLN 115 N -0.75 -0.20 -0.92 0.20 4.15 -0.18 0.41 115.11 117.82 3i21 h GLN 115 Ca -0.03 0.01 0.30 0.00 0.77 0.00 0.00 58.65 59.71 3i21 h GLN 115 Cb 0.50 0.04 -0.17 0.00 0.21 0.00 0.00 27.48 28.07 3i21 h GLN 115 CO 0.05 -0.13 0.20 1.28 -1.93 0.00 0.00 178.83 178.29 3i21 n LEU 116 N -5.39 0.05 0.03 -2.39 7.99 0.53 -0.86 117.00 116.97 3i21 n LEU 116 Ca 0.02 1.56 -0.11 0.00 -0.01 0.00 0.00 56.01 57.46 3i21 n LEU 116 Cb 0.34 -0.64 -0.08 0.00 -0.11 0.00 0.00 43.42 42.93 3i21 n LEU 116 CO -0.04 -1.64 0.44 0.58 -1.51 0.00 0.00 177.39 175.22 3i21 h VAL 117 N 0.00 1.01 -0.85 4.08 2.07 -0.02 -3.10 116.25 119.44 3i21 h VAL 117 Ca 0.64 -1.22 0.13 0.00 0.82 0.00 0.00 66.70 67.08 3i21 h VAL 117 Cb 1.50 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 3i21 h VAL 117 CO -0.81 0.26 0.55 -1.28 0.02 0.00 0.00 177.57 176.31 3i21 h SER 118 N -0.81 0.63 -0.12 0.57 0.87 0.11 -1.43 113.55 113.37 3i21 h SER 118 Ca -0.02 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3i21 h SER 118 Cb 0.55 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3i21 h SER 118 CO 0.03 0.34 0.04 1.41 -0.53 0.00 0.00 176.83 178.11 3i21 n HIS 119 N -4.53 0.41 -3.65 2.24 -0.00 -0.50 -4.83 115.22 104.36 3i21 n HIS 119 Ca 0.16 -0.31 -0.30 0.00 -0.00 0.00 0.00 57.72 57.26 3i21 n HIS 119 Cb 0.43 -0.23 0.04 0.00 -0.00 0.00 0.00 29.99 30.22 3i21 n HIS 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i21 n LYS 120 N 0.14 -1.24 -0.09 -0.41 5.02 -0.54 -4.88 118.16 116.17 3i21 n LYS 120 Ca 0.07 0.51 0.01 0.00 -2.02 0.00 0.00 58.31 56.88 3i21 n LYS 120 Cb 0.50 -4.14 0.02 0.00 -0.02 0.00 0.00 35.03 31.39 3i21 n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i21 n ALA 121 N -4.03 1.61 -2.74 7.82 0.00 -1.17 -4.97 120.51 117.03 3i21 n ALA 121 Ca -0.09 -0.98 -0.20 0.00 0.00 0.00 0.00 53.44 52.17 3i21 n ALA 121 Cb 0.59 -0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 3i21 n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i21 s ILE 122 N -0.63 0.87 0.15 0.00 -1.09 -1.26 -1.11 121.20 118.14 3i21 s ILE 122 Ca 0.04 -0.46 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 3i21 s ILE 122 Cb 0.03 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 3i21 s ILE 122 CO 0.00 0.25 -0.18 -0.04 -1.23 0.00 0.00 174.94 173.75 3i21 s MET 123 N -0.13 1.23 -0.19 2.79 -1.94 0.05 -1.28 119.30 119.82 3i21 s MET 123 Ca 0.02 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 3i21 s MET 123 Cb -0.06 -1.30 0.05 0.00 2.01 0.00 0.00 34.83 35.53 3i21 s MET 123 CO -0.00 0.27 -0.07 0.08 -0.01 0.00 0.00 175.02 175.29 3i21 s VAL 124 N -1.93 1.35 -0.78 -6.03 1.01 -0.40 -1.52 120.40 112.11 3i21 s VAL 124 Ca 0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3i21 s VAL 124 Cb -0.06 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3i21 s VAL 124 CO 0.06 0.09 0.06 -3.20 0.00 0.00 0.00 175.10 172.11 3i21 n ASN 125 N 4.78 0.03 0.00 3.32 4.05 1.07 -3.52 115.26 124.98 3i21 n ASN 125 Ca -0.13 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.23 3i21 n ASN 125 Cb 0.47 -0.83 0.00 0.00 1.23 0.00 0.00 39.78 40.65 3i21 n ASN 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i21 n GLY 126 N -1.78 0.35 3.90 8.20 0.00 -1.26 -4.90 105.19 109.70 3i21 n GLY 126 Ca -0.15 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 3i21 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i21 s ARG 127 N 0.00 2.30 0.12 1.61 3.00 -1.23 -4.97 118.95 119.77 3i21 s ARG 127 Ca 0.00 -1.92 -0.27 0.00 0.00 0.00 0.00 55.73 53.55 3i21 s ARG 127 Cb 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 34.95 32.71 3i21 s ARG 127 CO 0.00 -0.55 0.84 0.54 0.00 0.00 0.00 175.30 176.13 3i21 s VAL 128 N -2.71 4.50 -0.09 3.52 0.11 -1.26 -1.27 120.40 123.19 3i21 s VAL 128 Ca 0.38 1.81 0.02 0.00 -2.93 0.00 0.00 61.98 61.26 3i21 s VAL 128 Cb -0.02 -4.20 0.01 0.00 -1.53 0.00 0.00 36.38 30.64 3i21 s VAL 128 CO 0.23 0.41 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.58 3i21 s VAL 129 N -0.48 1.37 -2.51 2.04 1.01 -0.41 -4.95 120.40 116.47 3i21 s VAL 129 Ca 0.40 -0.59 0.21 0.00 0.00 0.00 0.00 61.98 62.00 3i21 s VAL 129 Cb -0.23 -1.25 0.15 0.00 0.00 0.00 0.00 36.38 35.05 3i21 s VAL 129 CO 0.27 0.41 1.14 -0.46 0.00 0.00 0.00 175.10 176.46 3i21 n ASN 130 N 4.00 2.64 -4.78 3.32 6.94 -1.26 -4.55 115.26 121.57 3i21 n ASN 130 Ca -0.20 -1.82 -0.39 0.00 -0.02 0.00 0.00 54.58 52.15 3i21 n ASN 130 Cb 0.52 0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 3i21 n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3i21 s ILE 131 N -1.79 4.67 -0.13 1.53 -1.09 -1.26 -3.56 121.20 119.57 3i21 s ILE 131 Ca 0.23 1.46 -0.16 0.00 -2.23 0.00 0.00 60.65 59.95 3i21 s ILE 131 Cb 0.17 -4.02 -0.25 0.00 -1.58 0.00 0.00 42.46 36.78 3i21 s ILE 131 CO 0.29 0.47 0.45 0.00 -1.23 0.00 0.00 174.94 174.91 3i21 h ALA 132 N 4.98 0.24 -0.02 9.38 0.00 -1.92 -3.35 119.26 128.57 3i21 h ALA 132 Ca -0.47 -1.15 0.01 0.00 0.00 0.00 0.00 54.91 53.30 3i21 h ALA 132 Cb 1.21 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3i21 h ALA 132 CO 0.67 0.85 0.09 0.66 0.00 0.00 0.00 179.25 181.52 3i21 h SER 133 N -0.44 0.00 -0.40 0.00 4.64 -1.96 -2.65 113.55 112.74 3i21 h SER 133 Ca -0.32 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.44 3i21 h SER 133 Cb 1.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 3i21 h SER 133 CO -0.00 0.00 0.62 0.00 -0.87 0.00 0.00 176.83 176.58 3i21 n TYR 134 N -3.21 1.01 -2.49 4.77 9.36 -1.26 -4.39 117.16 120.96 3i21 n TYR 134 Ca -0.02 0.66 -0.41 0.00 3.32 0.00 0.00 57.90 61.45 3i21 n TYR 134 Cb 0.16 -1.50 -0.03 0.00 -0.63 0.00 0.00 39.34 37.34 3i21 n TYR 134 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3i21 s GLN 135 N 2.78 4.53 -0.14 2.98 2.00 -1.26 -0.59 119.66 129.95 3i21 s GLN 135 Ca 0.74 1.72 -0.04 0.00 -2.00 0.00 0.00 55.36 55.78 3i21 s GLN 135 Cb -1.00 -3.32 -0.03 0.00 0.80 0.00 0.00 33.01 29.47 3i21 s GLN 135 CO 0.50 -0.07 -0.01 0.08 -0.50 0.00 0.00 175.29 175.30 3i21 s VAL 136 N 0.35 4.19 0.45 1.34 1.01 -0.91 -4.93 120.40 121.89 3i21 s VAL 136 Ca 0.53 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3i21 s VAL 136 Cb -0.29 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3i21 s VAL 136 CO 0.32 0.52 0.66 -0.94 0.00 0.00 0.00 175.10 175.66 3i21 s SER 137 N 0.02 5.81 0.88 3.32 1.04 -1.26 -4.96 113.70 118.56 3i21 s SER 137 Ca 0.02 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.57 3i21 s SER 137 Cb -0.13 -1.47 0.12 0.00 0.10 0.00 0.00 66.02 64.64 3i21 s SER 137 CO 0.02 -0.70 1.10 -2.16 0.98 0.00 0.00 173.24 172.48 3i21 s PRO 138 N -4.53 1.35 -1.08 4.02 0.04 -1.26 -2.97 135.00 130.56 3i21 s PRO 138 Ca 0.49 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3i21 s PRO 138 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3i21 s PRO 138 CO 0.37 -2.28 0.00 0.09 0.04 0.00 0.00 177.00 175.22 3i21 n ASN 139 N -3.95 -4.76 -4.63 6.66 3.02 -0.46 -4.92 115.26 106.20 3i21 n ASN 139 Ca 0.09 0.25 -0.39 0.00 -0.03 0.00 0.00 54.58 54.50 3i21 n ASN 139 Cb 0.53 -3.66 -0.08 0.00 -0.61 0.00 0.00 39.78 35.97 3i21 n ASN 139 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i21 s ASP 140 N -2.14 6.44 0.41 6.41 -1.08 -1.16 -4.97 116.67 120.59 3i21 s ASP 140 Ca 0.00 0.53 -0.21 0.00 -0.52 0.00 0.00 52.55 52.35 3i21 s ASP 140 Cb 0.00 -2.27 -0.11 0.00 -1.46 0.00 0.00 42.92 39.09 3i21 s ASP 140 CO 0.00 -0.22 0.92 -0.69 0.52 0.00 0.00 175.17 175.70 3i21 s VAL 141 N 1.98 4.42 -0.28 1.11 1.01 -1.26 -1.40 120.40 125.98 3i21 s VAL 141 Ca 0.21 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 3i21 s VAL 141 Cb -0.15 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.72 3i21 s VAL 141 CO 0.09 -0.27 0.26 0.54 0.00 0.00 0.00 175.10 175.72 3i21 s VAL 142 N -2.12 -0.33 0.07 2.92 0.11 -0.82 0.35 120.40 120.57 3i21 s VAL 142 Ca 0.60 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 3i21 s VAL 142 Cb -0.10 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 3i21 s VAL 142 CO 0.14 -0.48 -0.19 -0.94 -3.33 0.00 0.00 175.10 170.30 3i21 s SER 143 N 2.31 3.80 0.37 3.54 1.04 -0.57 -1.78 113.70 122.41 3i21 s SER 143 Ca 0.09 -0.49 -0.27 0.00 0.48 0.00 0.00 55.95 55.77 3i21 s SER 143 Cb -0.14 -0.57 -0.09 0.00 0.10 0.00 0.00 66.02 65.32 3i21 s SER 143 CO -0.31 0.23 1.21 -0.63 0.98 0.00 0.00 173.24 174.72 3i21 s ILE 144 N -1.00 3.00 0.38 -1.02 1.01 -1.25 -0.77 121.20 121.55 3i21 s ILE 144 Ca 0.16 0.91 -0.24 0.00 0.00 0.00 0.00 60.65 61.47 3i21 s ILE 144 Cb -0.10 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.70 3i21 s ILE 144 CO 0.07 0.14 0.81 -1.14 0.00 0.00 0.00 174.94 174.82 3i21 n ARG 145 N 0.38 0.97 -0.03 2.79 3.00 -0.27 -4.72 116.66 118.78 3i21 n ARG 145 Ca 0.03 0.35 -0.10 0.00 -0.00 0.00 0.00 57.85 58.12 3i21 n ARG 145 Cb 0.45 -1.74 -0.04 0.00 0.00 0.00 0.00 32.46 31.13 3i21 n ARG 145 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i21 h GLU 146 N 1.31 0.21 -0.33 -0.14 4.39 -1.93 0.05 114.58 118.14 3i21 h GLU 146 Ca -0.41 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.16 3i21 h GLU 146 Cb 1.37 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 3i21 h GLU 146 CO 0.55 0.14 -0.26 1.57 -1.16 0.00 0.00 179.01 179.86 3i21 h LYS 147 N 0.22 0.67 0.00 2.33 5.09 -2.00 -3.13 116.57 119.76 3i21 h LYS 147 Ca 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 60.65 60.51 3i21 h LYS 147 Cb -0.01 -0.03 -0.00 0.00 0.10 0.00 0.00 32.23 32.28 3i21 h LYS 147 CO -0.02 0.86 -0.42 0.00 -2.09 0.00 0.00 179.45 177.78 3i21 h ALA 148 N 1.13 0.80 -1.69 0.07 0.00 -1.85 -3.29 119.26 114.44 3i21 h ALA 148 Ca 0.08 -0.09 0.49 0.00 0.00 0.00 0.00 54.91 55.39 3i21 h ALA 148 Cb 0.75 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3i21 h ALA 148 CO 0.06 0.11 1.21 0.87 0.00 0.00 0.00 179.25 181.50 3i21 h LYS 149 N 0.00 0.01 -1.99 0.00 1.57 -0.93 0.40 116.57 115.63 3i21 h LYS 149 Ca -0.01 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 3i21 h LYS 149 Cb 1.07 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 3i21 h LYS 149 CO 0.01 0.00 0.08 1.63 -0.57 0.00 0.00 179.45 180.61 3i21 n LYS 150 N -4.06 2.21 -3.67 3.15 4.76 -1.24 -4.76 118.16 114.55 3i21 n LYS 150 Ca 0.38 -1.76 -0.39 0.00 -2.87 0.00 0.00 58.31 53.66 3i21 n LYS 150 Cb 1.74 -2.06 -0.11 0.00 -1.84 0.00 0.00 35.03 32.76 3i21 n LYS 150 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3i21 s GLN 151 N -0.63 2.68 0.24 1.97 0.74 0.14 -5.00 119.66 119.80 3i21 s GLN 151 Ca 0.60 -1.20 -0.09 0.00 0.05 0.00 0.00 55.36 54.72 3i21 s GLN 151 Cb 0.35 -3.62 0.37 0.00 1.10 0.00 0.00 33.01 31.21 3i21 s GLN 151 CO -0.13 -0.74 1.41 -1.13 -0.55 0.00 0.00 175.29 174.15 3i21 n SER 152 N 4.90 -0.38 -0.28 6.67 3.41 -1.26 -0.89 113.62 125.78 3i21 n SER 152 Ca -0.12 1.56 -0.01 0.00 -0.26 0.00 0.00 58.87 60.04 3i21 n SER 152 Cb 0.45 -0.44 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 3i21 n SER 152 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i21 h ARG 153 N 0.00 0.88 0.03 4.33 2.43 -1.98 -3.16 114.38 116.91 3i21 h ARG 153 Ca 0.41 -0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 59.27 3i21 h ARG 153 Cb 0.63 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3i21 h ARG 153 CO -0.92 0.58 -1.05 -0.24 -1.51 0.00 0.00 179.97 176.83 3i21 h VAL 154 N 0.91 1.34 -0.23 0.20 3.04 -1.39 -2.03 116.25 118.09 3i21 h VAL 154 Ca 0.34 -2.41 0.03 0.00 -1.01 0.00 0.00 66.70 63.64 3i21 h VAL 154 Cb 0.13 2.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 3i21 h VAL 154 CO -0.16 0.73 0.15 0.11 -1.01 0.00 0.00 177.57 177.40 3i21 h LYS 155 N 0.29 0.18 -0.06 4.17 1.57 -1.57 0.38 116.57 121.53 3i21 h LYS 155 Ca -0.12 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3i21 h LYS 155 Cb 1.71 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 3i21 h LYS 155 CO 0.19 0.12 -0.59 0.00 -0.57 0.00 0.00 179.45 178.61 3i21 h ALA 156 N 1.87 0.90 -0.52 3.86 0.00 -1.46 -3.17 119.26 120.74 3i21 h ALA 156 Ca 0.10 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.52 3i21 h ALA 156 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3i21 h ALA 156 CO -0.02 0.72 0.25 0.00 0.00 0.00 0.00 179.25 180.20 3i21 h ALA 157 N 1.24 0.66 -0.70 0.00 0.00 0.48 -1.94 119.26 119.00 3i21 h ALA 157 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i21 h ALA 157 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3i21 h ALA 157 CO 0.09 -0.11 0.37 -0.07 0.00 0.00 0.00 179.25 179.53 3i21 h LEU 158 N 0.48 0.88 -0.28 0.00 3.38 -1.11 -2.29 115.31 116.38 3i21 h LEU 158 Ca 0.23 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3i21 h LEU 158 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i21 h LEU 158 CO -0.18 0.73 0.13 -0.08 0.09 0.00 0.00 178.44 179.13 3i21 h GLU 159 N 0.96 0.26 -0.01 1.13 4.81 -1.41 0.47 114.58 120.79 3i21 h GLU 159 Ca 0.25 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3i21 h GLU 159 Cb 0.05 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3i21 h GLU 159 CO -0.04 0.17 0.02 -0.07 -0.73 0.00 0.00 179.01 178.37 3i21 h LEU 160 N 0.27 0.00 0.04 1.64 -0.00 -1.15 -1.23 115.31 114.87 3i21 h LEU 160 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.70 3i21 h LEU 160 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 3i21 h LEU 160 CO -0.09 0.00 -1.67 0.00 -0.00 0.00 0.00 178.44 176.68 3i21 h ALA 161 N 1.96 0.61 -0.91 1.53 0.00 -0.40 -3.33 119.26 118.72 3i21 h ALA 161 Ca 0.01 -1.36 0.11 0.00 0.00 0.00 0.00 54.91 53.67 3i21 h ALA 161 Cb 0.05 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 3i21 h ALA 161 CO -0.00 1.45 0.54 0.93 0.00 0.00 0.00 179.25 182.17 3i21 h GLU 162 N 0.02 0.86 -2.25 0.00 5.08 0.10 -0.41 114.58 117.98 3i21 h GLU 162 Ca -0.28 -0.05 -0.54 0.00 -1.00 0.00 0.00 59.36 57.49 3i21 h GLU 162 Cb 2.00 -0.19 -0.13 0.00 0.50 0.00 0.00 28.75 30.92 3i21 h GLU 162 CO 0.10 0.57 1.12 0.94 -1.00 0.00 0.00 179.01 180.73 3i21 n GLN 163 N -4.69 3.09 0.00 2.33 -0.06 -1.00 -4.85 117.38 112.20 3i21 n GLN 163 Ca 0.16 -2.49 0.00 0.00 -2.00 0.00 0.00 57.00 52.67 3i21 n GLN 163 Cb 0.32 -2.31 0.00 0.00 -4.06 0.00 0.00 30.24 24.18 3i21 n GLN 163 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3i21 n ARG 164 N 1.53 0.00 -0.08 3.69 1.74 -0.16 -4.98 116.66 118.40 3i21 n ARG 164 Ca 0.54 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.43 3i21 n ARG 164 Cb 0.49 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.80 3i21 n ARG 164 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i21 n GLU 165 N 0.00 0.69 -2.34 5.56 4.07 -1.26 -5.09 120.64 122.27 3i21 n GLU 165 Ca 0.00 0.19 -0.00 0.00 -0.06 0.00 0.00 57.16 57.29 3i21 n GLU 165 Cb 0.00 -1.59 -0.00 0.00 -0.06 0.00 0.00 31.44 29.78 3i21 n GLU 165 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i21 n LYS 166 N -3.35 -4.32 -0.43 5.31 4.81 -1.26 -4.98 118.16 113.94 3i21 n LYS 166 Ca -0.41 3.14 -0.28 0.00 -0.87 0.00 0.00 58.31 59.90 3i21 n LYS 166 Cb 1.01 -4.07 0.24 0.00 0.02 0.00 0.00 35.03 32.23 3i21 n LYS 166 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3i21 n PRO 167 N 1.88 -3.18 -0.00 1.64 -0.04 -1.26 -4.99 135.00 129.05 3i21 n PRO 167 Ca -0.04 -0.93 0.04 0.00 -0.04 0.00 0.00 63.50 62.54 3i21 n PRO 167 Cb 0.05 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 3i21 n PRO 167 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i21 n THR 168 N -5.10 0.00 1.89 0.52 -1.04 -1.26 -4.60 114.28 104.68 3i21 n THR 168 Ca 0.06 -0.19 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 3i21 n THR 168 Cb 0.54 0.38 0.19 0.00 -1.82 0.00 0.00 70.33 69.62 3i21 n THR 168 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3i21 n TRP 169 N -1.72 0.00 -3.61 -1.42 2.14 -1.26 -4.77 117.44 106.80 3i21 n TRP 169 Ca -0.01 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.46 3i21 n TRP 169 Cb 0.19 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.63 3i21 n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 3i21 s LEU 170 N -1.21 -0.45 0.39 5.67 0.05 -1.26 -0.70 118.68 121.17 3i21 s LEU 170 Ca 0.09 0.74 -0.04 0.00 0.05 0.00 0.00 54.13 54.98 3i21 s LEU 170 Cb 0.04 1.94 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 3i21 s LEU 170 CO 0.07 -0.24 0.66 -1.83 -0.55 0.00 0.00 176.35 174.47 3i21 s GLU 171 N -0.25 3.58 -0.29 1.48 -1.05 -1.14 -4.82 118.70 116.20 3i21 s GLU 171 Ca 0.01 0.04 -0.02 0.00 -0.15 0.00 0.00 54.97 54.86 3i21 s GLU 171 Cb -0.03 -2.52 0.17 0.00 -0.44 0.00 0.00 34.13 31.31 3i21 s GLU 171 CO -0.03 0.01 0.55 0.54 0.95 0.00 0.00 175.26 177.28 3i21 s VAL 172 N -2.42 -0.90 -0.67 1.83 0.11 -1.26 -0.29 120.40 116.79 3i21 s VAL 172 Ca 0.45 -0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.23 3i21 s VAL 172 Cb -0.10 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 3i21 s VAL 172 CO 0.37 -0.03 1.16 -0.62 -3.33 0.00 0.00 175.10 172.65 3i21 s ASP 173 N 2.78 6.23 0.00 3.54 3.68 -1.10 -4.86 116.67 126.95 3i21 s ASP 173 Ca 0.18 -0.47 0.21 0.00 2.13 0.00 0.00 52.55 54.60 3i21 s ASP 173 Cb -0.15 -2.51 1.23 0.00 -1.45 0.00 0.00 42.92 40.03 3i21 s ASP 173 CO -0.20 -1.63 1.64 0.00 0.13 0.00 0.00 175.17 175.12 3i21 n ALA 174 N 8.65 2.36 -0.04 3.66 0.00 -1.26 -0.98 120.51 132.89 3i21 n ALA 174 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 3i21 n ALA 174 Cb 0.48 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3i21 n ALA 174 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i21 h GLY 175 N 3.78 0.00 2.00 0.00 0.00 -1.96 -3.36 103.07 103.53 3i21 h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i21 h GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 3i21 n LYS 176 N -3.71 0.16 -2.90 4.80 3.00 -1.22 -4.93 118.16 113.36 3i21 n LYS 176 Ca -0.04 0.47 -0.09 0.00 -0.00 0.00 0.00 58.31 58.65 3i21 n LYS 176 Cb 0.16 -1.85 0.01 0.00 0.00 0.00 0.00 35.03 33.34 3i21 n LYS 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3i21 n MET 177 N -2.16 -2.27 -3.15 1.64 2.81 -0.16 -4.95 117.12 108.89 3i21 n MET 177 Ca 0.01 2.04 0.05 0.00 -1.81 0.00 0.00 57.70 57.99 3i21 n MET 177 Cb 0.16 -5.52 -0.01 0.00 -0.71 0.00 0.00 33.22 27.14 3i21 n MET 177 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i21 s GLU 178 N -2.65 0.16 0.59 0.03 2.12 -0.98 -3.79 118.70 114.18 3i21 s GLU 178 Ca 0.23 0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.77 3i21 s GLU 178 Cb -0.06 0.12 0.12 0.00 0.26 0.00 0.00 34.13 34.57 3i21 s GLU 178 CO 0.77 -0.24 0.81 0.41 -0.54 0.00 0.00 175.26 176.48 3i21 n GLY 179 N 5.31 0.25 2.92 -1.50 0.00 -0.73 -2.71 105.19 108.73 3i21 n GLY 179 Ca 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3i21 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i21 s THR 180 N -2.48 -0.59 -0.90 2.61 2.01 0.60 -1.95 115.64 114.95 3i21 s THR 180 Ca 0.52 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 3i21 s THR 180 Cb -0.03 -0.62 -0.24 0.00 0.01 0.00 0.00 72.50 71.62 3i21 s THR 180 CO 0.35 -0.35 2.29 0.33 -0.69 0.00 0.00 174.62 176.55 3i21 n PHE 181 N 4.65 0.55 0.26 4.92 7.35 -0.49 -2.90 117.46 131.80 3i21 n PHE 181 Ca 0.08 0.01 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 3i21 n PHE 181 Cb 0.49 -1.52 -0.05 0.00 0.35 0.00 0.00 39.48 38.75 3i21 n PHE 181 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3i21 h LYS 182 N 11.99 -0.68 -4.03 -4.13 3.64 -1.67 -1.20 116.57 120.49 3i21 h LYS 182 Ca 0.01 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3i21 h LYS 182 Cb 1.09 0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 32.89 3i21 h LYS 182 CO 1.34 -0.45 -0.61 -0.98 -2.27 0.00 0.00 179.45 176.49 3i21 s ARG 183 N -3.96 0.58 0.32 1.90 1.70 0.12 -2.14 118.95 117.48 3i21 s ARG 183 Ca -0.10 -0.97 -0.29 0.00 -0.47 0.00 0.00 55.73 53.90 3i21 s ARG 183 Cb 0.01 0.21 -0.11 0.00 -0.57 0.00 0.00 34.95 34.50 3i21 s ARG 183 CO 0.31 -0.13 1.42 0.15 -1.08 0.00 0.00 175.30 175.97 3i21 s LYS 184 N -3.16 4.24 0.11 3.89 -0.14 -1.26 -4.71 119.74 118.70 3i21 s LYS 184 Ca -0.00 2.38 -0.31 0.00 -1.36 0.00 0.00 55.97 56.68 3i21 s LYS 184 Cb 0.02 -3.04 -0.10 0.00 -1.68 0.00 0.00 37.83 33.03 3i21 s LYS 184 CO -0.07 -0.39 1.77 -1.25 -0.76 0.00 0.00 175.35 174.64 3i21 s PRO 185 N -1.41 4.16 0.00 -1.68 0.04 -1.26 -4.98 135.00 129.86 3i21 s PRO 185 Ca 0.54 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.08 3i21 s PRO 185 Cb -0.43 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.53 3i21 s PRO 185 CO 0.53 -0.80 0.00 0.39 0.04 0.00 0.00 177.00 177.16 3i21 n GLU 186 N 5.61 0.00 0.00 4.56 -0.58 -1.26 -4.81 120.64 124.16 3i21 n GLU 186 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3i21 n GLU 186 Cb 0.39 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 3i21 n GLU 186 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3i21 n ARG 187 N 0.00 0.00 -0.11 3.49 3.00 -1.26 -4.93 116.66 116.86 3i21 n ARG 187 Ca 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 57.85 58.10 3i21 n ARG 187 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 32.46 33.17 3i21 n ARG 187 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i21 h SER 188 N 0.00 0.00 0.75 6.15 4.64 -1.98 -0.97 113.55 122.14 3i21 h SER 188 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3i21 h SER 188 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3i21 h SER 188 CO 0.00 0.00 -1.30 -0.90 -0.87 0.00 0.00 176.83 173.76 3i21 n ASP 189 N -4.28 0.72 -0.04 4.97 5.68 -1.26 -4.33 116.55 118.01 3i21 n ASP 189 Ca 0.15 0.29 -0.19 0.00 -0.50 0.00 0.00 54.79 54.54 3i21 n ASP 189 Cb 0.83 0.57 -0.13 0.00 -1.14 0.00 0.00 41.12 41.24 3i21 n ASP 189 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3i21 n LEU 190 N -2.69 2.56 -4.20 -2.12 0.00 -0.74 -4.98 117.00 104.82 3i21 n LEU 190 Ca -0.05 0.11 -0.27 0.00 0.00 0.00 0.00 56.01 55.81 3i21 n LEU 190 Cb 0.66 -0.93 0.20 0.00 0.00 0.00 0.00 43.42 43.35 3i21 n LEU 190 CO 0.42 0.84 -0.07 -1.20 0.00 0.00 0.00 177.39 177.38 3i21 n SER 191 N -3.37 -2.87 0.00 1.96 7.64 -0.45 -5.03 113.62 111.52 3i21 n SER 191 Ca -0.35 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.16 3i21 n SER 191 Cb 1.03 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3i21 n SER 191 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i21 n ALA 192 N -4.78 0.00 -0.96 -0.43 0.00 -1.26 -4.96 120.51 108.11 3i21 n ALA 192 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 3i21 n ALA 192 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 3i21 n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i21 n ASP 193 N 0.00 6.60 -4.10 0.00 9.92 -1.26 -4.81 116.55 122.91 3i21 n ASP 193 Ca 0.00 -3.22 -0.33 0.00 -0.53 0.00 0.00 54.79 50.71 3i21 n ASP 193 Cb 0.00 -1.02 -0.14 0.00 -0.64 0.00 0.00 41.12 39.32 3i21 n ASP 193 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3i21 s ILE 194 N -2.84 2.62 -0.88 0.53 -4.36 -1.26 -5.06 121.20 109.95 3i21 s ILE 194 Ca 0.39 -1.76 -0.24 0.00 -0.26 0.00 0.00 60.65 58.77 3i21 s ILE 194 Cb 0.30 -2.65 0.05 0.00 1.25 0.00 0.00 42.46 41.42 3i21 s ILE 194 CO -0.00 -0.27 1.30 0.20 0.24 0.00 0.00 174.94 176.41 3i21 s ASN 195 N 1.21 6.36 0.17 4.36 0.01 -1.26 -4.90 114.94 120.89 3i21 s ASN 195 Ca -0.01 -1.12 -0.26 0.00 -0.71 0.00 0.00 52.86 50.76 3i21 s ASN 195 Cb -0.20 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 38.96 3i21 s ASN 195 CO -0.04 -1.57 1.56 1.05 -1.51 0.00 0.00 177.10 176.59 3i21 h GLU 196 N 9.75 -0.20 -0.98 -0.60 9.09 -1.97 -1.78 114.58 127.89 3i21 h GLU 196 Ca -0.02 0.01 0.31 0.00 0.05 0.00 0.00 59.36 59.72 3i21 h GLU 196 Cb 1.03 0.04 -0.18 0.00 -1.65 0.00 0.00 28.75 28.00 3i21 h GLU 196 CO 1.32 -0.13 0.21 1.12 0.05 0.00 0.00 179.01 181.58 3i21 h HIS 197 N -0.20 0.27 0.01 2.06 2.07 -1.93 -0.55 115.15 116.87 3i21 h HIS 197 Ca 0.18 0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 3i21 h HIS 197 Cb 0.56 0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.57 3i21 h HIS 197 CO -0.75 -0.42 -0.08 -0.07 -3.07 0.00 0.00 177.93 173.54 3i21 h LEU 198 N 0.03 -0.25 -0.03 6.12 3.38 -1.72 0.56 115.31 123.39 3i21 h LEU 198 Ca 0.67 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3i21 h LEU 198 Cb 1.53 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3i21 h LEU 198 CO -0.85 -0.09 0.11 2.30 0.09 0.00 0.00 178.44 180.01 3i21 n ILE 199 N -2.92 1.53 -0.03 1.22 -5.35 -0.25 -0.53 119.36 113.02 3i21 n ILE 199 Ca -0.01 0.51 -0.00 0.00 -0.27 0.00 0.00 62.75 62.97 3i21 n ILE 199 Cb 0.06 -1.51 -0.00 0.00 -1.74 0.00 0.00 39.64 36.46 3i21 n ILE 199 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3i21 h VAL 200 N 0.00 0.00 -0.91 7.28 2.07 -0.77 -3.34 116.25 120.58 3i21 h VAL 200 Ca 0.00 -0.58 0.26 0.00 0.82 0.00 0.00 66.70 67.20 3i21 h VAL 200 Cb 0.23 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.84 3i21 h VAL 200 CO 0.00 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.45 3i21 h GLU 201 N -0.58 0.13 -0.37 1.57 5.08 0.14 0.18 114.58 120.72 3i21 h GLU 201 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3i21 h GLU 201 Cb 0.02 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3i21 h GLU 201 CO 0.00 0.08 0.06 1.25 -1.00 0.00 0.00 179.01 179.40 3i21 h LEU 202 N 0.13 -0.02 0.13 1.33 5.85 -1.46 -3.13 115.31 118.14 3i21 h LEU 202 Ca 0.58 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 59.17 3i21 h LEU 202 Cb 1.22 0.10 0.02 0.00 0.37 0.00 0.00 40.66 42.37 3i21 h LEU 202 CO -0.74 0.03 -0.86 1.88 -0.34 0.00 0.00 178.44 178.41 3i21 h TYR 203 N 0.18 0.60 -0.07 1.25 0.99 -1.12 -3.36 116.97 115.44 3i21 h TYR 203 Ca 0.18 -0.42 -0.61 0.00 2.00 0.00 0.00 58.73 59.87 3i21 h TYR 203 Cb 0.22 -0.03 0.03 0.00 1.00 0.00 0.00 36.73 37.95 3i21 h TYR 203 CO -0.20 1.32 2.16 -1.13 -0.00 0.00 0.00 178.16 180.30 3i21 n SER 204 N -4.09 2.65 0.00 3.88 3.41 0.43 -5.13 113.62 114.77 3i21 n SER 204 Ca -0.14 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 3i21 n SER 204 Cb 0.83 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3i21 n SER 204 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05