#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n ARG 2 N 0.00 0.00 0.11 0.00 3.00 -1.26 -4.86 116.66 113.65 3i1s n ARG 2 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 3i1s n ARG 2 Cb 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 32.46 32.04 3i1s n ARG 2 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 3i1s h TYR 3 N 0.11 -1.04 0.00 -1.55 3.20 -2.00 -3.46 116.97 112.23 3i1s h TYR 3 Ca -0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3i1s h TYR 3 Cb 0.51 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3i1s h TYR 3 CO 0.10 -0.43 0.00 1.28 -1.64 0.00 0.00 178.16 177.47 3i1s n LEU 4 N -4.53 0.05 -4.98 2.82 4.77 -1.26 -5.02 117.00 108.85 3i1s n LEU 4 Ca -0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 3i1s n LEU 4 Cb 0.29 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.45 3i1s n LEU 4 CO 0.13 -0.02 0.66 -0.83 -1.33 0.00 0.00 177.39 176.00 3i1s s GLY 5 N -2.00 1.77 0.26 -0.72 0.00 -1.26 -5.02 107.32 100.35 3i1s s GLY 5 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.74 3i1s s GLY 5 CO 0.00 -1.00 1.59 2.56 0.00 0.00 0.00 173.10 176.24 3i1s s PRO 6 N -5.40 4.15 -0.08 2.90 0.04 -1.26 -4.93 135.00 130.42 3i1s s PRO 6 Ca 0.70 2.52 0.17 0.00 0.04 0.00 0.00 61.00 64.43 3i1s s PRO 6 Cb -0.04 -3.05 -0.23 0.00 0.04 0.00 0.00 34.50 31.22 3i1s s PRO 6 CO 0.47 -0.61 0.44 1.63 0.04 0.00 0.00 177.00 178.97 3i1s n LYS 7 N 2.59 0.66 0.28 4.56 5.02 -1.26 -4.00 118.16 126.01 3i1s n LYS 7 Ca 0.09 0.11 0.15 0.00 -2.02 0.00 0.00 58.31 56.65 3i1s n LYS 7 Cb 0.38 -1.66 0.80 0.00 -0.02 0.00 0.00 35.03 34.53 3i1s n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3i1s h LEU 8 N 0.00 0.00 -0.14 -0.35 -0.00 -1.94 -0.59 115.31 112.29 3i1s h LEU 8 Ca -0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.54 3i1s h LEU 8 Cb 1.92 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.57 3i1s h LEU 8 CO 0.04 0.08 0.07 0.11 -0.00 0.00 0.00 178.44 178.74 3i1s h LYS 9 N 0.00 0.20 0.30 1.13 1.57 -1.95 -2.13 116.57 115.69 3i1s h LYS 9 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i1s h LYS 9 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3i1s h LYS 9 CO 0.01 0.23 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.84 3i1s h LEU 10 N 0.11 -0.54 -0.57 2.94 4.07 -1.29 0.92 115.31 120.94 3i1s h LEU 10 Ca 0.05 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.15 3i1s h LEU 10 Cb 0.10 0.16 -0.11 0.00 1.08 0.00 0.00 40.66 41.89 3i1s h LEU 10 CO -0.01 -0.31 -0.26 0.28 -1.08 0.00 0.00 178.44 177.06 3i1s h SER 11 N -0.49 -0.92 -0.26 -0.43 0.02 -1.64 -1.30 113.55 108.52 3i1s h SER 11 Ca -0.04 0.21 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3i1s h SER 11 Cb 0.40 0.49 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 3i1s h SER 11 CO 0.03 -0.27 -0.21 -0.09 -1.14 0.00 0.00 176.83 175.15 3i1s h ARG 12 N -0.12 -0.06 -0.20 3.45 2.43 -1.19 -0.63 114.38 118.07 3i1s h ARG 12 Ca 0.25 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 3i1s h ARG 12 Cb 0.52 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 3i1s h ARG 12 CO -0.65 -0.04 -0.34 -0.09 -1.51 0.00 0.00 179.97 177.34 3i1s h ARG 13 N -0.06 -0.37 -0.03 0.20 9.65 0.29 0.26 114.38 124.32 3i1s h ARG 13 Ca 0.04 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3i1s h ARG 13 Cb 0.18 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 3i1s h ARG 13 CO -0.28 -0.24 0.03 0.93 2.80 0.00 0.00 179.97 183.21 3i1s h GLU 14 N -0.38 0.00 0.00 0.20 4.39 -1.22 -3.45 114.58 114.12 3i1s h GLU 14 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3i1s h GLU 14 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3i1s h GLU 14 CO -0.41 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.85 3i1s n GLY 15 N -1.35 0.76 3.42 -3.84 0.00 0.90 -5.05 105.19 100.04 3i1s n GLY 15 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3i1s n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1s s THR 16 N -2.29 2.41 0.07 2.61 2.01 -1.10 -4.73 115.64 114.63 3i1s s THR 16 Ca 0.00 -1.78 -0.31 0.00 0.31 0.00 0.00 61.69 59.91 3i1s s THR 16 Cb 0.00 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 3i1s s THR 16 CO 0.00 0.04 1.55 -0.62 -0.69 0.00 0.00 174.62 174.89 3i1s s ASP 17 N -2.24 6.69 0.00 3.53 -1.08 -1.26 -4.53 116.67 117.78 3i1s s ASP 17 Ca 0.17 2.39 0.10 0.00 -0.52 0.00 0.00 52.55 54.69 3i1s s ASP 17 Cb -0.10 -2.57 0.16 0.00 -1.46 0.00 0.00 42.92 38.96 3i1s s ASP 17 CO 0.08 -0.81 0.99 0.18 0.52 0.00 0.00 175.17 176.14 3i1s n LEU 18 N 5.09 2.26 0.00 -1.34 4.77 -1.26 -4.98 117.00 121.54 3i1s n LEU 18 Ca 0.14 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3i1s n LEU 18 Cb 0.41 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3i1s n LEU 18 CO 0.61 0.51 0.00 0.49 -1.33 0.00 0.00 177.39 177.67 3i1s n PHE 19 N 0.48 0.00 -1.99 -1.77 3.01 -1.26 -4.85 117.46 111.08 3i1s n PHE 19 Ca 0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.14 3i1s n PHE 19 Cb 0.32 -1.35 -0.00 0.00 -0.01 0.00 0.00 39.48 38.44 3i1s n PHE 19 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i1s s LEU 20 N 0.00 4.24 -1.49 4.37 1.43 -1.26 -2.24 118.68 123.72 3i1s s LEU 20 Ca 0.00 2.75 -0.09 0.00 -1.03 0.00 0.00 54.13 55.76 3i1s s LEU 20 Cb 0.00 -3.84 0.06 0.00 0.03 0.00 0.00 46.19 42.44 3i1s s LEU 20 CO 0.00 -0.86 0.77 1.17 0.23 0.00 0.00 176.35 177.66 3i1s n LYS 21 N 0.22 -4.48 -0.59 1.70 4.81 -1.26 -4.96 118.16 113.60 3i1s n LYS 21 Ca 0.03 0.52 -0.03 0.00 -0.87 0.00 0.00 58.31 57.96 3i1s n LYS 21 Cb 0.42 -5.15 0.02 0.00 0.02 0.00 0.00 35.03 30.34 3i1s n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1s n SER 22 N -2.88 0.10 0.00 3.14 2.88 -0.95 -4.84 113.62 111.07 3i1s n SER 22 Ca -0.10 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 3i1s n SER 22 Cb 0.58 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3i1s n SER 22 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1s n GLY 23 N 4.02 -0.75 7.00 0.46 0.00 -1.26 -4.92 105.19 109.74 3i1s n GLY 23 Ca 0.02 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3i1s n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1s n VAL 24 N -0.83 0.00 0.00 1.61 0.24 -1.26 -3.85 118.33 114.25 3i1s n VAL 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1s n VAL 24 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i1s n VAL 24 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1s n ARG 25 N 0.00 0.00 0.00 7.34 1.74 -1.26 -4.94 116.66 119.54 3i1s n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1s n ARG 25 Cb 0.00 -0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 3i1s n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1s n ALA 26 N -3.00 0.00 -3.56 7.54 0.00 -1.25 -4.94 120.51 115.30 3i1s n ALA 26 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3i1s n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1s n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1s n ILE 27 N 0.00 -5.38 -1.36 0.00 5.41 -1.26 -4.71 119.36 112.06 3i1s n ILE 27 Ca 0.00 -0.05 0.17 0.00 1.00 0.00 0.00 62.75 63.87 3i1s n ILE 27 Cb 0.00 -4.14 -0.07 0.00 -0.71 0.00 0.00 39.64 34.72 3i1s n ILE 27 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3i1s n ASP 28 N -2.21 -7.89 -1.63 4.38 -0.08 -1.26 -5.00 116.55 102.86 3i1s n ASP 28 Ca -0.21 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 3i1s n ASP 28 Cb 0.64 -4.50 0.00 0.00 2.34 0.00 0.00 41.12 39.60 3i1s n ASP 28 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3i1s n THR 29 N -4.21 -4.77 0.00 5.18 -1.04 -1.26 -4.28 114.28 103.91 3i1s n THR 29 Ca -0.06 2.19 0.00 0.00 -2.04 0.00 0.00 64.05 64.15 3i1s n THR 29 Cb 0.64 -3.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.11 3i1s n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1s n LYS 30 N -0.98 0.00 -0.26 -2.82 4.01 -1.26 -4.28 118.16 112.57 3i1s n LYS 30 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.87 3i1s n LYS 30 Cb 0.02 0.00 0.19 0.00 -0.51 0.00 0.00 35.03 34.73 3i1s n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1s n LYS 32 N -5.22 0.00 -1.88 0.00 5.02 -1.26 -4.83 118.16 110.00 3i1s n LYS 32 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3i1s n LYS 32 Cb 0.50 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 3i1s n LYS 32 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3i1s n ILE 33 N 0.00 -2.75 0.00 -0.18 0.13 -1.26 -4.25 119.36 111.05 3i1s n ILE 33 Ca 0.00 0.67 0.00 0.00 -1.10 0.00 0.00 62.75 62.32 3i1s n ILE 33 Cb 0.00 -2.03 0.00 0.00 -0.84 0.00 0.00 39.64 36.77 3i1s n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3i1s n GLU 34 N 1.81 0.00 0.00 9.51 0.00 -1.24 -4.69 120.64 126.03 3i1s n GLU 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i1s n GLU 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3i1s n GLU 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1s n GLN 35 N 0.00 0.00 -3.07 5.31 10.64 -1.26 -2.89 117.38 126.10 3i1s n GLN 35 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3i1s n GLN 35 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3i1s n GLN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3i1s s ALA 36 N 0.00 -2.74 0.00 2.61 0.00 -1.26 -3.62 121.76 116.75 3i1s s ALA 36 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 3i1s s ALA 36 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 3i1s s ALA 36 CO 0.00 -2.28 1.57 -2.30 0.00 0.00 0.00 175.76 172.75 3i1s n PRO 37 N 4.08 0.79 0.00 0.00 -0.02 -1.14 -4.60 135.00 134.11 3i1s n PRO 37 Ca 0.11 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3i1s n PRO 37 Cb 0.58 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3i1s n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1s n GLY 38 N 1.88 2.42 5.56 -1.23 0.00 -1.26 -4.80 105.19 107.75 3i1s n GLY 38 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3i1s n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1s n GLN 39 N 0.00 0.00 -0.27 1.61 7.27 -1.26 -1.46 117.38 123.27 3i1s n GLN 39 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3i1s n GLN 39 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 3i1s n GLN 39 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i1s n HIS 40 N 0.00 0.28 0.14 3.69 8.25 -1.26 -3.95 115.22 122.37 3i1s n HIS 40 Ca 0.00 -0.81 -0.25 0.00 -0.26 0.00 0.00 57.72 56.40 3i1s n HIS 40 Cb 0.00 -0.41 -0.16 0.00 1.12 0.00 0.00 29.99 30.55 3i1s n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3i1s h GLY 41 N 3.45 0.60 -0.57 -1.41 0.00 -1.54 -3.26 103.07 100.33 3i1s h GLY 41 Ca 0.06 -1.53 0.37 0.00 0.00 0.00 0.00 47.33 46.22 3i1s h GLY 41 CO 0.11 1.34 0.89 0.00 0.00 0.00 0.00 176.54 178.89 3i1s h ALA 42 N 0.15 3.05 -2.18 3.60 0.00 -1.68 -3.41 119.26 118.79 3i1s h ALA 42 Ca -0.27 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.07 3i1s h ALA 42 Cb 2.16 0.09 0.21 0.00 0.00 0.00 0.00 17.79 20.26 3i1s h ALA 42 CO 0.26 -1.45 -0.97 0.54 0.00 0.00 0.00 179.25 177.63 3i1s n ARG 43 N -4.25 0.01 -3.63 0.00 3.00 -1.23 -4.95 116.66 105.61 3i1s n ARG 43 Ca 0.28 0.03 -0.27 0.00 -0.01 0.00 0.00 57.85 57.88 3i1s n ARG 43 Cb 1.29 -1.49 -0.10 0.00 0.00 0.00 0.00 32.46 32.16 3i1s n ARG 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i1s n LYS 44 N 0.22 1.72 -0.80 5.56 4.81 -1.26 -5.02 118.16 123.39 3i1s n LYS 44 Ca 0.05 -4.25 -0.35 0.00 -0.87 0.00 0.00 58.31 52.89 3i1s n LYS 44 Cb 0.52 -2.10 0.12 0.00 0.02 0.00 0.00 35.03 33.59 3i1s n LYS 44 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3i1s n PRO 45 N 1.71 -0.94 -0.09 1.64 -0.02 -1.26 -4.99 135.00 131.05 3i1s n PRO 45 Ca 0.24 -0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 3i1s n PRO 45 Cb 0.40 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.32 3i1s n PRO 45 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i1s n ARG 46 N -0.45 0.77 -2.56 -0.52 5.12 -1.26 -5.11 116.66 112.66 3i1s n ARG 46 Ca 0.00 0.08 -0.02 0.00 -1.93 0.00 0.00 57.85 55.98 3i1s n ARG 46 Cb 0.65 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.56 3i1s n ARG 46 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3i1s n LEU 47 N -2.92 -4.88 -4.43 0.55 4.32 -1.26 -4.96 117.00 103.42 3i1s n LEU 47 Ca -0.31 1.91 -0.29 0.00 -0.02 0.00 0.00 56.01 57.30 3i1s n LEU 47 Cb 0.89 -2.56 0.25 0.00 -1.62 0.00 0.00 43.42 40.37 3i1s n LEU 47 CO 0.22 -3.08 0.32 -1.54 -1.22 0.00 0.00 177.39 172.09 3i1s n SER 48 N 2.01 -1.88 -0.34 -1.43 3.41 -1.26 -4.46 113.62 109.67 3i1s n SER 48 Ca -0.15 -0.16 0.14 0.00 -0.26 0.00 0.00 58.87 58.44 3i1s n SER 48 Cb 0.23 -1.21 0.34 0.00 -0.26 0.00 0.00 64.21 63.31 3i1s n SER 48 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3i1s h ASP 49 N -2.61 0.70 0.77 4.04 3.58 -1.99 0.15 116.42 121.07 3i1s h ASP 49 Ca -0.61 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 56.92 3i1s h ASP 49 Cb 1.34 -0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.39 3i1s h ASP 49 CO 0.47 0.19 -0.38 0.22 -2.88 0.00 0.00 179.24 176.86 3i1s h TYR 50 N 0.67 -0.99 -0.68 0.28 3.20 -1.99 -1.36 116.97 116.10 3i1s h TYR 50 Ca 0.59 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.52 3i1s h TYR 50 Cb 1.01 0.33 -0.11 0.00 1.54 0.00 0.00 36.73 39.50 3i1s h TYR 50 CO -0.02 -0.61 -0.52 0.78 -1.64 0.00 0.00 178.16 176.15 3i1s h GLY 51 N -1.05 -0.71 -0.40 1.82 0.00 -1.37 0.27 103.07 101.62 3i1s h GLY 51 Ca -0.10 0.68 0.12 0.00 0.00 0.00 0.00 47.33 48.02 3i1s h GLY 51 CO 0.17 -0.09 -0.28 -2.08 0.00 0.00 0.00 176.54 174.26 3i1s h VAL 52 N -0.20 0.22 -0.35 4.60 2.07 -0.66 0.59 116.25 122.52 3i1s h VAL 52 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 3i1s h VAL 52 Cb 0.53 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3i1s h VAL 52 CO -0.75 0.00 0.05 1.56 0.02 0.00 0.00 177.57 178.45 3i1s h GLN 53 N -0.11 0.16 -0.17 1.57 4.20 0.31 -2.74 115.11 118.33 3i1s h GLN 53 Ca 0.27 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.02 3i1s h GLN 53 Cb 0.54 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3i1s h GLN 53 CO -0.69 0.11 -0.20 1.25 -0.67 0.00 0.00 178.83 178.63 3i1s h LEU 54 N 0.17 -0.63 -1.26 1.46 5.85 0.16 -0.34 115.31 120.72 3i1s h LEU 54 Ca 0.17 0.11 0.18 0.00 0.84 0.00 0.00 57.88 59.17 3i1s h LEU 54 Cb 0.20 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 3i1s h LEU 54 CO -0.23 -0.24 0.60 0.03 -0.34 0.00 0.00 178.44 178.25 3i1s h ARG 55 N -0.23 0.62 -0.17 1.25 -0.00 -0.93 0.28 114.38 115.20 3i1s h ARG 55 Ca 0.11 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.98 59.40 3i1s h ARG 55 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 3i1s h ARG 55 CO -0.31 0.41 -0.55 1.49 0.00 0.00 0.00 179.97 181.02 3i1s h GLU 56 N 0.64 0.52 0.00 0.04 4.57 -0.78 1.29 114.58 120.87 3i1s h GLU 56 Ca 0.50 -0.33 -0.19 0.00 -1.18 0.00 0.00 59.36 58.16 3i1s h GLU 56 Cb 0.91 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 3i1s h GLU 56 CO -0.25 0.93 -1.27 1.57 -1.18 0.00 0.00 179.01 178.81 3i1s h LYS 57 N 0.40 0.00 0.00 1.92 5.09 -1.10 -2.92 116.57 119.95 3i1s h LYS 57 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.69 3i1s h LYS 57 Cb 1.08 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.41 3i1s h LYS 57 CO 0.10 0.47 -0.26 0.37 -2.09 0.00 0.00 179.45 178.05 3i1s h GLN 58 N 0.00 0.00 0.00 0.07 5.75 -0.19 -2.49 115.11 118.24 3i1s h GLN 58 Ca -0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3i1s h GLN 58 Cb 1.68 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.23 3i1s h GLN 58 CO 0.07 0.26 0.00 1.17 -2.65 0.00 0.00 178.83 177.68 3i1s n LYS 59 N -3.24 0.00 -0.27 1.69 4.81 0.44 -2.68 118.16 118.92 3i1s n LYS 59 Ca 0.02 0.46 0.02 0.00 -0.87 0.00 0.00 58.31 57.94 3i1s n LYS 59 Cb 0.56 -1.09 0.08 0.00 0.02 0.00 0.00 35.03 34.60 3i1s n LYS 59 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i1s n VAL 60 N -1.88 -0.34 0.06 3.15 0.31 -1.10 0.82 118.33 119.35 3i1s n VAL 60 Ca 0.00 1.69 -0.12 0.00 -0.01 0.00 0.00 64.34 65.90 3i1s n VAL 60 Cb 0.00 -2.30 -0.05 0.00 -0.91 0.00 0.00 33.84 30.58 3i1s n VAL 60 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3i1s h ARG 61 N 0.00 -0.43 -0.61 5.55 3.08 -1.57 -1.86 114.38 118.54 3i1s h ARG 61 Ca 0.32 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.42 3i1s h ARG 61 Cb 0.50 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3i1s h ARG 61 CO -0.74 -0.29 0.40 0.00 -1.07 0.00 0.00 179.97 178.27 3i1s h ARG 62 N -0.45 0.72 0.69 0.04 2.47 0.64 0.98 114.38 119.47 3i1s h ARG 62 Ca 0.06 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3i1s h ARG 62 Cb 0.53 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3i1s h ARG 62 CO -0.25 0.48 -0.41 0.82 0.56 0.00 0.00 179.97 181.18 3i1s h ILE 63 N 0.75 0.00 0.00 2.04 2.04 -0.77 -2.68 117.51 118.89 3i1s h ILE 63 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 3i1s h ILE 63 Cb 0.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3i1s h ILE 63 CO -0.06 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.87 3i1s n TYR 64 N -4.99 0.00 -3.78 1.37 4.02 -0.74 -4.89 117.16 108.15 3i1s n TYR 64 Ca -0.13 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.49 3i1s n TYR 64 Cb 0.42 -0.09 0.05 0.00 -0.02 0.00 0.00 39.34 39.70 3i1s n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1s n GLY 65 N 0.65 -0.51 3.72 2.72 0.00 0.33 -4.98 105.19 107.12 3i1s n GLY 65 Ca 0.17 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 3i1s n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1s s VAL 66 N -3.32 4.20 0.68 1.61 1.01 -0.99 -4.86 120.40 118.74 3i1s s VAL 66 Ca 0.60 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3i1s s VAL 66 Cb -0.29 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.20 3i1s s VAL 66 CO 0.79 0.15 0.95 -0.76 0.00 0.00 0.00 175.10 176.23 3i1s s LEU 67 N -2.24 3.03 0.09 3.92 1.02 -1.26 -4.64 118.68 118.60 3i1s s LEU 67 Ca 0.26 -0.19 -0.32 0.00 0.02 0.00 0.00 54.13 53.90 3i1s s LEU 67 Cb -0.12 -2.32 -0.14 0.00 0.02 0.00 0.00 46.19 43.63 3i1s s LEU 67 CO 0.18 -1.68 1.60 -0.08 0.02 0.00 0.00 176.35 176.40 3i1s h GLU 68 N -0.41 -0.79 0.12 1.70 4.57 -2.00 -0.31 114.58 117.47 3i1s h GLU 68 Ca -0.39 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3i1s h GLU 68 Cb 1.28 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 30.03 3i1s h GLU 68 CO 0.45 -0.52 -0.25 0.00 -1.18 0.00 0.00 179.01 177.51 3i1s h ARG 69 N -0.82 -0.38 -0.63 1.92 2.47 -1.97 1.82 114.38 116.79 3i1s h ARG 69 Ca -0.04 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.83 3i1s h ARG 69 Cb 0.72 0.09 -0.12 0.00 -1.65 0.00 0.00 29.97 29.01 3i1s h ARG 69 CO -0.05 -0.25 -0.20 0.37 0.56 0.00 0.00 179.97 180.39 3i1s h GLN 70 N -0.39 -0.05 -0.72 0.04 4.15 -1.96 0.44 115.11 116.62 3i1s h GLN 70 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3i1s h GLN 70 Cb 0.38 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 3i1s h GLN 70 CO -0.10 -0.03 0.47 0.35 -1.93 0.00 0.00 178.83 177.59 3i1s h PHE 71 N -0.05 0.89 0.00 3.99 3.04 -0.61 -1.23 116.94 122.98 3i1s h PHE 71 Ca 0.29 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.26 3i1s h PHE 71 Cb 0.50 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.71 3i1s h PHE 71 CO -0.55 0.55 0.00 -2.13 -2.02 0.00 0.00 178.31 174.16 3i1s n ARG 72 N -4.60 0.00 -0.29 1.11 3.00 0.61 -2.42 116.66 114.08 3i1s n ARG 72 Ca 0.07 0.54 0.04 0.00 -0.00 0.00 0.00 57.85 58.49 3i1s n ARG 72 Cb 0.03 -1.36 0.10 0.00 0.00 0.00 0.00 32.46 31.23 3i1s n ARG 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i1s n ASN 73 N -1.89 -0.32 -0.17 6.15 4.13 0.44 0.18 115.26 123.79 3i1s n ASN 73 Ca 0.00 1.36 -0.05 0.00 1.68 0.00 0.00 54.58 57.58 3i1s n ASN 73 Cb 0.00 -0.40 0.01 0.00 -1.54 0.00 0.00 39.78 37.86 3i1s n ASN 73 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 3i1s h TYR 74 N 0.00 -0.71 -0.51 3.10 0.05 -0.92 0.29 116.97 118.26 3i1s h TYR 74 Ca 0.36 0.06 0.03 0.00 0.05 0.00 0.00 58.73 59.24 3i1s h TYR 74 Cb 0.56 0.39 -0.04 0.00 1.01 0.00 0.00 36.73 38.65 3i1s h TYR 74 CO -0.62 -0.34 0.29 -0.92 -1.05 0.00 0.00 178.16 175.51 3i1s h TYR 75 N -0.15 0.53 -0.99 4.88 5.03 0.09 0.91 116.97 127.27 3i1s h TYR 75 Ca 0.23 0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.75 3i1s h TYR 75 Cb 0.51 -0.16 -0.10 0.00 1.55 0.00 0.00 36.73 38.53 3i1s h TYR 75 CO -0.55 0.28 0.61 -0.22 -1.32 0.00 0.00 178.16 176.97 3i1s h LYS 76 N 0.56 0.67 -0.01 1.82 3.64 -0.44 0.26 116.57 123.07 3i1s h LYS 76 Ca 0.22 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3i1s h LYS 76 Cb 0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3i1s h LYS 76 CO -0.12 0.45 -0.15 1.49 -2.27 0.00 0.00 179.45 178.84 3i1s h GLU 77 N 0.69 0.12 0.00 1.90 4.57 0.24 -2.89 114.58 119.21 3i1s h GLU 77 Ca 0.56 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 3i1s h GLU 77 Cb 0.96 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3i1s h GLU 77 CO -0.33 0.85 0.28 0.00 -1.18 0.00 0.00 179.01 178.63 3i1s h ALA 78 N 0.27 1.27 0.16 2.92 0.00 0.14 -2.39 119.26 121.64 3i1s h ALA 78 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1s h ALA 78 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3i1s h ALA 78 CO 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 179.25 178.71 3i1s h ALA 79 N 1.41 -0.88 -3.00 0.00 0.00 -0.29 -3.40 119.26 113.10 3i1s h ALA 79 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i1s h ALA 79 Cb 0.57 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i1s h ALA 79 CO 0.00 -0.93 0.00 0.54 0.00 0.00 0.00 179.25 178.86 3i1s n ARG 80 N -4.15 0.05 -1.08 0.00 1.74 -0.90 -4.69 116.66 107.62 3i1s n ARG 80 Ca -0.06 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.99 3i1s n ARG 80 Cb 0.25 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.68 3i1s n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3i1s n LEU 81 N 0.00 0.31 0.00 0.55 4.77 -1.26 -4.37 117.00 117.00 3i1s n LEU 81 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3i1s n LEU 81 Cb 0.00 -1.87 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 3i1s n LEU 81 CO 0.00 -0.67 0.00 0.29 -1.33 0.00 0.00 177.39 175.68 3i1s n LYS 82 N -0.83 0.00 -0.86 3.23 4.76 -1.26 -4.85 118.16 118.35 3i1s n LYS 82 Ca -0.03 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 3i1s n LYS 82 Cb 0.36 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.79 3i1s n LYS 82 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i1s s GLY 83 N 0.00 1.53 -0.25 0.72 0.00 -1.26 -4.89 107.32 103.18 3i1s s GLY 83 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 44.72 43.59 3i1s s GLY 83 CO 0.00 0.10 1.97 -2.01 0.00 0.00 0.00 173.10 173.16 3i1s n ASN 84 N -4.94 2.64 0.06 1.64 4.05 -1.26 -4.89 115.26 112.55 3i1s n ASN 84 Ca 0.11 0.78 -0.14 0.00 0.45 0.00 0.00 54.58 55.78 3i1s n ASN 84 Cb 0.59 -1.26 -0.07 0.00 1.23 0.00 0.00 39.78 40.26 3i1s n ASN 84 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3i1s h THR 85 N 6.05 0.13 -0.94 -0.44 2.02 -1.88 -1.89 112.91 115.95 3i1s h THR 85 Ca -0.40 0.00 0.17 0.00 0.77 0.00 0.00 66.41 66.96 3i1s h THR 85 Cb 1.30 0.13 -0.17 0.00 -1.74 0.00 0.00 68.15 67.67 3i1s h THR 85 CO 0.98 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 177.81 3i1s h GLY 86 N -0.58 0.46 0.18 2.16 0.00 -1.90 0.59 103.07 103.98 3i1s h GLY 86 Ca 0.04 0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.78 3i1s h GLY 86 CO -0.33 -0.31 -0.40 0.83 0.00 0.00 0.00 176.54 176.33 3i1s h GLU 87 N -0.01 -0.54 -0.75 4.80 4.39 -1.84 -3.05 114.58 117.58 3i1s h GLU 87 Ca 0.41 0.04 0.14 0.00 0.34 0.00 0.00 59.36 60.29 3i1s h GLU 87 Cb 0.66 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.33 3i1s h GLU 87 CO -0.96 -0.36 0.29 -0.91 -1.16 0.00 0.00 179.01 175.91 3i1s h ASN 88 N -0.56 0.27 -0.15 1.42 2.35 0.91 -0.79 115.58 119.02 3i1s h ASN 88 Ca 0.05 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3i1s h ASN 88 Cb 0.64 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3i1s h ASN 88 CO -0.31 0.10 0.10 0.25 -1.65 0.00 0.00 177.43 175.92 3i1s h LEU 89 N 0.43 0.17 -1.54 1.61 5.85 -1.08 -1.48 115.31 119.28 3i1s h LEU 89 Ca 0.41 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 3i1s h LEU 89 Cb 0.63 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3i1s h LEU 89 CO -0.41 0.13 0.18 -0.07 -0.34 0.00 0.00 178.44 177.93 3i1s h LEU 90 N 0.20 0.43 0.55 2.25 -0.00 -1.26 -2.76 115.31 114.72 3i1s h LEU 90 Ca 0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 3i1s h LEU 90 Cb -0.02 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 3i1s h LEU 90 CO -0.01 0.37 -0.45 0.00 -0.00 0.00 0.00 178.44 178.35 3i1s h ALA 91 N 1.70 -1.16 -0.68 1.53 0.00 -0.13 -2.16 119.26 118.36 3i1s h ALA 91 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i1s h ALA 91 Cb 0.04 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3i1s h ALA 91 CO -0.02 -1.16 0.27 -0.07 0.00 0.00 0.00 179.25 178.27 3i1s h LEU 92 N -0.97 0.92 -1.04 0.00 3.38 -1.41 -1.21 115.31 114.98 3i1s h LEU 92 Ca -0.07 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.90 3i1s h LEU 92 Cb 0.81 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3i1s h LEU 92 CO -0.00 0.82 0.62 -0.07 0.09 0.00 0.00 178.44 179.90 3i1s h LEU 93 N 0.98 0.88 0.00 1.67 3.38 -1.37 0.22 115.31 121.08 3i1s h LEU 93 Ca 0.23 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3i1s h LEU 93 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i1s h LEU 93 CO -0.02 0.45 -0.08 -0.08 0.09 0.00 0.00 178.44 178.80 3i1s h GLU 94 N 0.94 0.00 -0.00 1.13 4.57 -0.61 -3.18 114.58 117.43 3i1s h GLU 94 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 3i1s h GLU 94 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3i1s h GLU 94 CO -0.27 0.00 -0.31 0.41 -1.18 0.00 0.00 179.01 177.66 3i1s n GLY 95 N 1.19 -1.34 3.70 1.92 0.00 0.70 -4.28 105.19 107.08 3i1s n GLY 95 Ca 0.04 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3i1s n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1s s ARG 96 N -3.00 4.16 0.21 1.61 0.52 -0.67 -0.84 118.95 120.94 3i1s s ARG 96 Ca 0.12 2.52 -0.17 0.00 -0.52 0.00 0.00 55.73 57.68 3i1s s ARG 96 Cb 0.18 -3.41 0.21 0.00 0.52 0.00 0.00 34.95 32.45 3i1s s ARG 96 CO 0.63 -0.77 1.59 1.25 0.02 0.00 0.00 175.30 178.03 3i1s h LEU 97 N 7.93 -1.01 -1.96 2.53 5.85 -1.22 0.78 115.31 128.21 3i1s h LEU 97 Ca -0.44 0.24 0.24 0.00 0.84 0.00 0.00 57.88 58.75 3i1s h LEU 97 Cb 1.21 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 3i1s h LEU 97 CO 0.94 -0.28 0.65 -2.24 -0.34 0.00 0.00 178.44 177.17 3i1s h ASP 98 N -0.08 0.00 0.08 1.25 3.04 -1.83 -0.71 116.42 118.17 3i1s h ASP 98 Ca 0.30 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.78 3i1s h ASP 98 Cb 0.56 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.82 3i1s h ASP 98 CO -0.75 0.00 -1.64 -1.13 -2.04 0.00 0.00 179.24 173.68 3i1s h ASN 99 N 0.00 0.25 -0.64 4.15 -1.24 -1.23 -3.22 115.58 113.65 3i1s h ASN 99 Ca 0.39 -0.77 0.13 0.00 0.71 0.00 0.00 56.30 56.76 3i1s h ASN 99 Cb 1.68 -0.08 -0.09 0.00 0.73 0.00 0.00 38.32 40.55 3i1s h ASN 99 CO -0.00 1.69 0.12 0.58 -1.29 0.00 0.00 177.43 178.52 3i1s h VAL 100 N -0.40 0.58 -0.45 2.57 2.07 -0.14 0.90 116.25 121.39 3i1s h VAL 100 Ca -0.38 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3i1s h VAL 100 Cb 1.72 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 3i1s h VAL 100 CO -0.03 0.04 -0.51 0.58 0.02 0.00 0.00 177.57 177.67 3i1s h VAL 101 N 0.24 0.04 0.81 2.57 2.07 -1.31 -2.66 116.25 118.01 3i1s h VAL 101 Ca 0.34 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.82 3i1s h VAL 101 Cb 0.53 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3i1s h VAL 101 CO -0.45 0.00 -0.39 0.22 0.02 0.00 0.00 177.57 176.97 3i1s h TYR 102 N -0.35 -1.01 0.00 1.57 3.20 -0.65 -2.00 116.97 117.72 3i1s h TYR 102 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3i1s h TYR 102 Cb 0.59 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3i1s h TYR 102 CO -0.71 -0.63 0.00 0.54 -1.64 0.00 0.00 178.16 175.73 3i1s n ARG 103 N -5.55 0.10 -2.72 1.82 5.12 0.28 -2.88 116.66 112.82 3i1s n ARG 103 Ca -0.15 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.69 3i1s n ARG 103 Cb 0.44 -1.28 0.09 0.00 -1.16 0.00 0.00 32.46 30.55 3i1s n ARG 103 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3i1s n MET 104 N 0.74 0.88 0.00 5.56 1.56 -0.75 -4.71 117.12 120.40 3i1s n MET 104 Ca 0.00 -1.75 0.00 0.00 -0.27 0.00 0.00 57.70 55.68 3i1s n MET 104 Cb 0.04 -0.96 0.00 0.00 2.15 0.00 0.00 33.22 34.44 3i1s n MET 104 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i1s n GLY 105 N 0.53 1.37 3.37 -5.12 0.00 -1.14 -4.84 105.19 99.35 3i1s n GLY 105 Ca 0.05 0.39 -0.45 0.00 0.00 0.00 0.00 46.02 46.00 3i1s n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1s n PHE 106 N 0.00 -1.07 -0.78 1.61 3.72 -1.25 -3.42 117.46 116.28 3i1s n PHE 106 Ca 0.00 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.22 3i1s n PHE 106 Cb 0.00 -1.90 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 3i1s n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1s n GLY 107 N 2.11 -4.05 0.18 1.37 0.00 -1.26 -3.90 105.19 99.65 3i1s n GLY 107 Ca 0.15 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3i1s n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s h ALA 108 N 1.26 0.93 -2.43 4.61 0.00 -1.86 -3.45 119.26 118.31 3i1s h ALA 108 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3i1s h ALA 108 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 3i1s h ALA 108 CO 0.00 0.00 -0.17 0.99 0.00 0.00 0.00 179.25 180.07 3i1s s THR 109 N -3.21 0.05 0.36 0.00 2.01 -1.26 -4.53 115.64 109.06 3i1s s THR 109 Ca 0.07 -0.41 0.13 0.00 0.31 0.00 0.00 61.69 61.79 3i1s s THR 109 Cb 0.07 -0.76 0.35 0.00 0.01 0.00 0.00 72.50 72.17 3i1s s THR 109 CO 0.67 -0.23 1.77 0.03 -0.69 0.00 0.00 174.62 176.18 3i1s h ARG 110 N 3.53 0.51 0.59 4.92 3.08 -1.87 0.97 114.38 126.10 3i1s h ARG 110 Ca -0.30 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 3i1s h ARG 110 Cb 1.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3i1s h ARG 110 CO 0.41 0.34 -0.50 0.00 -1.07 0.00 0.00 179.97 179.15 3i1s h ALA 111 N 1.65 -1.17 -0.56 0.04 0.00 -1.93 0.23 119.26 117.52 3i1s h ALA 111 Ca 0.59 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.34 3i1s h ALA 111 Cb 1.27 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 3i1s h ALA 111 CO -0.35 -1.19 0.37 1.49 0.00 0.00 0.00 179.25 179.57 3i1s h GLU 112 N -1.06 0.57 -0.18 0.00 4.81 -1.28 -2.35 114.58 115.10 3i1s h GLU 112 Ca -0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3i1s h GLU 112 Cb 0.90 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3i1s h GLU 112 CO -0.01 0.38 0.02 0.00 -0.73 0.00 0.00 179.01 178.67 3i1s h ALA 113 N 1.68 0.23 -0.32 2.92 0.00 0.12 -2.66 119.26 121.25 3i1s h ALA 113 Ca 0.23 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3i1s h ALA 113 Cb 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3i1s h ALA 113 CO -0.06 -0.09 -0.10 -0.09 0.00 0.00 0.00 179.25 178.90 3i1s h ARG 114 N 0.08 -0.03 -0.13 0.00 2.43 -0.02 -0.77 114.38 115.93 3i1s h ARG 114 Ca 0.05 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3i1s h ARG 114 Cb 0.32 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3i1s h ARG 114 CO 0.00 -0.02 -0.37 0.37 -1.51 0.00 0.00 179.97 178.44 3i1s h GLN 115 N -0.04 -0.43 -0.96 0.20 4.15 -1.45 0.16 115.11 116.75 3i1s h GLN 115 Ca 0.16 0.03 0.31 0.00 0.77 0.00 0.00 58.65 59.91 3i1s h GLN 115 Cb 0.28 0.10 -0.16 0.00 0.21 0.00 0.00 27.48 27.90 3i1s h GLN 115 CO -0.35 -0.29 0.35 -0.07 -1.93 0.00 0.00 178.83 176.54 3i1s h LEU 116 N -0.45 0.11 0.97 -2.39 -0.00 -0.83 0.45 115.31 113.17 3i1s h LEU 116 Ca 0.09 0.23 -0.05 0.00 -0.00 0.00 0.00 57.88 58.15 3i1s h LEU 116 Cb 0.59 0.28 0.01 0.00 -0.00 0.00 0.00 40.66 41.54 3i1s h LEU 116 CO -0.38 -0.25 -0.48 0.58 -0.00 0.00 0.00 178.44 177.91 3i1s h VAL 117 N 0.15 0.03 -0.87 1.22 2.07 0.33 -2.54 116.25 116.64 3i1s h VAL 117 Ca 0.68 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.19 3i1s h VAL 117 Cb 1.53 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3i1s h VAL 117 CO -0.72 0.00 0.53 -1.28 0.02 0.00 0.00 177.57 176.12 3i1s h SER 118 N -1.32 1.04 0.00 0.57 0.87 0.25 -2.78 113.55 112.19 3i1s h SER 118 Ca -0.13 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 3i1s h SER 118 Cb 1.02 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 3i1s h SER 118 CO 0.21 0.80 -0.13 1.41 -0.53 0.00 0.00 176.83 178.59 3i1s n HIS 119 N -4.37 0.00 -3.23 2.24 -0.00 0.13 -4.76 115.22 105.22 3i1s n HIS 119 Ca 0.10 -1.04 -0.17 0.00 -0.00 0.00 0.00 57.72 56.60 3i1s n HIS 119 Cb 0.06 -1.01 -0.04 0.00 -0.00 0.00 0.00 29.99 28.99 3i1s n HIS 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i1s n LYS 120 N 2.22 -0.93 0.00 -0.41 5.02 -1.05 -4.68 118.16 118.33 3i1s n LYS 120 Ca 0.21 0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.58 3i1s n LYS 120 Cb 0.61 -1.96 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3i1s n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1s n ALA 121 N -2.55 2.50 -2.69 7.82 0.00 -0.96 -4.89 120.51 119.73 3i1s n ALA 121 Ca -0.07 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 3i1s n ALA 121 Cb 0.29 -0.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 3i1s n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i1s s ILE 122 N -0.47 2.88 -0.19 0.00 -1.09 -1.23 -0.67 121.20 120.43 3i1s s ILE 122 Ca 0.06 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 3i1s s ILE 122 Cb 0.04 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.81 3i1s s ILE 122 CO 0.07 0.57 -0.18 -0.04 -1.23 0.00 0.00 174.94 174.13 3i1s s MET 123 N -0.32 2.79 0.22 2.79 -1.94 0.11 -1.49 119.30 121.46 3i1s s MET 123 Ca 0.02 -0.89 -0.26 0.00 -1.71 0.00 0.00 55.69 52.86 3i1s s MET 123 Cb -0.13 -2.57 -0.09 0.00 2.01 0.00 0.00 34.83 34.05 3i1s s MET 123 CO 0.03 -0.27 0.84 0.08 -0.01 0.00 0.00 175.02 175.68 3i1s s VAL 124 N 1.28 4.29 0.00 -6.03 1.01 0.70 0.13 120.40 121.78 3i1s s VAL 124 Ca 0.03 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.78 3i1s s VAL 124 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3i1s s VAL 124 CO -0.11 0.41 0.00 -3.20 0.00 0.00 0.00 175.10 172.20 3i1s n ASN 125 N 1.27 0.00 0.00 3.32 4.05 1.25 -0.86 115.26 124.29 3i1s n ASN 125 Ca -0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.00 3i1s n ASN 125 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 3i1s n ASN 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1s n GLY 126 N 0.00 2.49 3.80 8.20 0.00 -1.26 -4.92 105.19 113.50 3i1s n GLY 126 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 3i1s n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1s s ARG 127 N 0.00 2.30 0.12 1.61 3.00 -0.04 -5.04 118.95 120.90 3i1s s ARG 127 Ca 0.00 -1.83 -0.27 0.00 0.00 0.00 0.00 55.73 53.63 3i1s s ARG 127 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 34.95 32.81 3i1s s ARG 127 CO 0.00 -0.24 0.85 0.54 0.00 0.00 0.00 175.30 176.46 3i1s s VAL 128 N -2.61 4.48 0.03 3.52 0.11 -1.26 -0.21 120.40 124.46 3i1s s VAL 128 Ca 0.40 1.85 0.05 0.00 -2.93 0.00 0.00 61.98 61.35 3i1s s VAL 128 Cb 0.01 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.62 3i1s s VAL 128 CO 0.23 0.40 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.55 3i1s s VAL 129 N -0.44 1.27 0.00 2.04 1.01 -0.56 -4.87 120.40 118.85 3i1s s VAL 129 Ca 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3i1s s VAL 129 Cb -0.23 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i1s s VAL 129 CO 0.27 0.10 0.45 -0.46 0.00 0.00 0.00 175.10 175.46 3i1s n ASN 130 N 1.99 0.51 -4.50 3.32 0.23 -1.25 -4.30 115.26 111.26 3i1s n ASN 130 Ca -0.17 -1.18 -0.43 0.00 -0.53 0.00 0.00 54.58 52.26 3i1s n ASN 130 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 3i1s n ASN 130 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3i1s s ILE 131 N -0.18 4.41 0.22 1.53 -1.09 -1.26 -3.57 121.20 121.26 3i1s s ILE 131 Ca 0.00 0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.38 3i1s s ILE 131 Cb 0.00 -4.55 0.24 0.00 -1.58 0.00 0.00 42.46 36.57 3i1s s ILE 131 CO 0.00 -1.16 1.64 0.00 -1.23 0.00 0.00 174.94 174.18 3i1s h ALA 132 N 9.34 0.58 0.00 9.38 0.00 -1.92 0.26 119.26 136.90 3i1s h ALA 132 Ca -0.27 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i1s h ALA 132 Cb 1.07 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3i1s h ALA 132 CO 1.10 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 3i1s n SER 133 N -5.37 0.00 -4.39 0.00 3.41 -1.26 -2.84 113.62 103.17 3i1s n SER 133 Ca 0.10 -0.05 -0.52 0.00 -0.26 0.00 0.00 58.87 58.14 3i1s n SER 133 Cb 0.38 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3i1s n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1s n TYR 134 N -1.19 1.27 -1.80 7.33 9.36 0.08 -4.62 117.16 127.58 3i1s n TYR 134 Ca 0.07 0.46 -0.35 0.00 3.32 0.00 0.00 57.90 61.39 3i1s n TYR 134 Cb 0.08 -2.43 -0.03 0.00 -0.63 0.00 0.00 39.34 36.32 3i1s n TYR 134 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3i1s s GLN 135 N 6.70 2.33 0.87 2.98 2.00 -1.26 -1.49 119.66 131.78 3i1s s GLN 135 Ca 1.17 0.89 -0.10 0.00 -2.00 0.00 0.00 55.36 55.32 3i1s s GLN 135 Cb -1.10 -4.54 0.12 0.00 0.80 0.00 0.00 33.01 28.29 3i1s s GLN 135 CO 0.54 -3.11 1.13 0.08 -0.50 0.00 0.00 175.29 173.42 3i1s s VAL 136 N 10.84 2.46 0.34 1.34 1.01 -0.02 -4.98 120.40 131.39 3i1s s VAL 136 Ca 0.82 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.99 3i1s s VAL 136 Cb -0.14 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3i1s s VAL 136 CO 0.21 -0.20 0.05 -0.94 0.00 0.00 0.00 175.10 174.23 3i1s s SER 137 N -2.89 2.59 0.77 3.32 1.04 -1.26 -4.92 113.70 112.35 3i1s s SER 137 Ca 0.65 -1.39 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 3i1s s SER 137 Cb -0.21 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 65.88 3i1s s SER 137 CO 0.57 -0.61 1.09 -2.16 0.98 0.00 0.00 173.24 173.11 3i1s s PRO 138 N -3.86 2.28 -1.19 4.02 0.04 -1.26 -3.41 135.00 131.61 3i1s s PRO 138 Ca 0.35 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3i1s s PRO 138 Cb 0.09 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3i1s s PRO 138 CO 0.16 -1.60 0.00 0.09 0.04 0.00 0.00 177.00 175.69 3i1s n ASN 139 N -3.48 -3.74 -4.87 6.66 3.02 0.05 -4.93 115.26 107.98 3i1s n ASN 139 Ca 0.08 0.28 -0.37 0.00 -0.03 0.00 0.00 54.58 54.54 3i1s n ASN 139 Cb 0.53 -3.23 -0.06 0.00 -0.61 0.00 0.00 39.78 36.41 3i1s n ASN 139 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i1s s ASP 140 N -2.02 6.51 0.05 6.41 2.15 -1.12 -4.92 116.67 123.73 3i1s s ASP 140 Ca 0.00 0.60 0.03 0.00 0.43 0.00 0.00 52.55 53.61 3i1s s ASP 140 Cb 0.00 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 3i1s s ASP 140 CO 0.00 0.37 0.03 -0.69 -0.17 0.00 0.00 175.17 174.71 3i1s s VAL 141 N -1.08 4.29 -0.06 1.11 1.01 -1.26 0.12 120.40 124.52 3i1s s VAL 141 Ca 0.19 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3i1s s VAL 141 Cb -0.13 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3i1s s VAL 141 CO 0.08 0.23 0.04 0.54 0.00 0.00 0.00 175.10 175.99 3i1s s VAL 142 N -1.25 0.07 0.28 2.92 0.11 -1.20 0.39 120.40 121.72 3i1s s VAL 142 Ca 0.24 0.28 0.10 0.00 -2.93 0.00 0.00 61.98 59.68 3i1s s VAL 142 Cb -0.12 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3i1s s VAL 142 CO 0.16 0.18 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.09 3i1s s SER 143 N 2.10 4.13 0.36 3.54 1.04 0.12 -1.76 113.70 123.22 3i1s s SER 143 Ca 0.05 -0.84 -0.24 0.00 0.48 0.00 0.00 55.95 55.40 3i1s s SER 143 Cb -0.12 -0.60 -0.10 0.00 0.10 0.00 0.00 66.02 65.30 3i1s s SER 143 CO -0.04 -0.01 0.94 -0.63 0.98 0.00 0.00 173.24 174.47 3i1s s ILE 144 N -2.42 4.29 0.42 -1.02 1.01 -1.11 0.06 121.20 122.43 3i1s s ILE 144 Ca 0.31 1.68 -0.25 0.00 0.00 0.00 0.00 60.65 62.39 3i1s s ILE 144 Cb -0.05 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 3i1s s ILE 144 CO 0.18 -0.02 1.18 -1.14 0.00 0.00 0.00 174.94 175.14 3i1s n ARG 145 N 0.14 1.71 -0.26 2.79 3.00 0.16 -4.78 116.66 119.43 3i1s n ARG 145 Ca 0.04 0.61 0.04 0.00 -0.00 0.00 0.00 57.85 58.54 3i1s n ARG 145 Cb 0.51 -2.25 0.17 0.00 0.00 0.00 0.00 32.46 30.89 3i1s n ARG 145 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i1s h GLU 146 N 1.89 0.50 -0.81 -0.14 4.39 -1.94 0.50 114.58 118.98 3i1s h GLU 146 Ca -0.46 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3i1s h GLU 146 Cb 1.31 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3i1s h GLU 146 CO 0.59 0.33 0.00 0.36 -1.16 0.00 0.00 179.01 179.13 3i1s n LYS 147 N -4.94 2.53 -0.03 2.33 -0.00 -1.26 -3.58 118.16 113.21 3i1s n LYS 147 Ca 0.13 -1.25 -0.02 0.00 -0.00 0.00 0.00 58.31 57.17 3i1s n LYS 147 Cb 0.36 -1.78 -0.05 0.00 -0.00 0.00 0.00 35.03 33.56 3i1s n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1s n ALA 148 N 0.25 1.89 -0.33 0.58 0.00 0.17 -4.63 120.51 118.46 3i1s n ALA 148 Ca 0.11 -0.39 0.27 0.00 0.00 0.00 0.00 53.44 53.43 3i1s n ALA 148 Cb 0.61 0.07 0.58 0.00 0.00 0.00 0.00 19.45 20.71 3i1s n ALA 148 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1s h LYS 149 N 0.00 0.27 -2.38 0.00 1.57 -1.50 -2.70 116.57 111.83 3i1s h LYS 149 Ca -0.15 -0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 58.15 3i1s h LYS 149 Cb 1.26 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 3i1s h LYS 149 CO 0.01 0.18 1.39 1.63 -0.57 0.00 0.00 179.45 182.09 3i1s n LYS 150 N -4.52 2.94 -3.86 3.15 4.76 -1.26 -4.78 118.16 114.58 3i1s n LYS 150 Ca 0.26 -1.94 -0.26 0.00 -2.87 0.00 0.00 58.31 53.50 3i1s n LYS 150 Cb 1.00 -2.35 -0.17 0.00 -1.84 0.00 0.00 35.03 31.67 3i1s n LYS 150 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3i1s s GLN 151 N 0.56 1.25 0.49 1.97 0.74 -1.02 -5.00 119.66 118.65 3i1s s GLN 151 Ca 0.65 -0.16 0.17 0.00 0.05 0.00 0.00 55.36 56.06 3i1s s GLN 151 Cb 0.27 -1.44 1.21 0.00 1.10 0.00 0.00 33.01 34.15 3i1s s GLN 151 CO -0.07 -0.29 2.07 0.66 -0.55 0.00 0.00 175.29 177.11 3i1s h SER 152 N 8.22 0.12 -0.59 6.67 4.64 -1.90 -2.65 113.55 128.06 3i1s h SER 152 Ca -0.27 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.01 3i1s h SER 152 Cb 1.13 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3i1s h SER 152 CO 0.36 0.08 0.21 -0.09 -0.87 0.00 0.00 176.83 176.52 3i1s h ARG 153 N 0.14 0.94 0.01 4.77 2.43 -1.96 -3.06 114.38 117.65 3i1s h ARG 153 Ca 0.13 -0.17 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 3i1s h ARG 153 Cb 0.33 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 3i1s h ARG 153 CO -0.02 0.80 -1.99 1.55 -1.51 0.00 0.00 179.97 178.80 3i1s n VAL 154 N -4.29 1.54 0.28 0.20 3.14 -1.02 -2.72 118.33 115.46 3i1s n VAL 154 Ca 0.05 -0.80 0.13 0.00 -2.96 0.00 0.00 64.34 60.76 3i1s n VAL 154 Cb 0.20 -0.89 0.82 0.00 -1.06 0.00 0.00 33.84 32.91 3i1s n VAL 154 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3i1s h LYS 155 N 0.00 0.00 0.00 1.45 1.57 -1.53 0.62 116.57 118.68 3i1s h LYS 155 Ca -0.40 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 3i1s h LYS 155 Cb 2.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.40 3i1s h LYS 155 CO 0.06 0.00 -0.81 0.00 -0.57 0.00 0.00 179.45 178.13 3i1s h ALA 156 N 1.99 0.65 0.26 3.86 0.00 -1.62 -3.21 119.26 121.19 3i1s h ALA 156 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3i1s h ALA 156 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i1s h ALA 156 CO -0.00 0.23 -0.16 0.00 0.00 0.00 0.00 179.25 179.33 3i1s h ALA 157 N 1.84 -0.39 -0.46 0.00 0.00 0.41 -1.31 119.26 119.35 3i1s h ALA 157 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3i1s h ALA 157 Cb 1.15 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3i1s h ALA 157 CO 0.01 -0.73 0.10 -0.07 0.00 0.00 0.00 179.25 178.57 3i1s h LEU 158 N -0.40 0.70 -2.14 0.00 3.38 -1.31 -2.78 115.31 112.76 3i1s h LEU 158 Ca -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3i1s h LEU 158 Cb 0.33 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i1s h LEU 158 CO 0.03 0.76 -0.06 -0.08 0.09 0.00 0.00 178.44 179.18 3i1s h GLU 159 N 0.61 0.00 -0.26 1.13 4.22 -1.53 0.22 114.58 118.97 3i1s h GLU 159 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.58 3i1s h GLU 159 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3i1s h GLU 159 CO 0.00 0.06 0.00 -0.11 -2.18 0.00 0.00 179.01 176.78 3i1s n LEU 160 N -3.94 2.35 -0.12 1.64 -0.00 -0.51 -3.73 117.00 112.69 3i1s n LEU 160 Ca -0.03 -1.00 -0.18 0.00 -0.00 0.00 0.00 56.01 54.80 3i1s n LEU 160 Cb 0.15 -0.16 -0.10 0.00 -0.00 0.00 0.00 43.42 43.31 3i1s n LEU 160 CO 0.30 0.50 -1.27 0.00 -0.00 0.00 0.00 177.39 176.93 3i1s n ALA 161 N 0.77 1.49 0.06 1.96 0.00 0.65 -3.96 120.51 121.49 3i1s n ALA 161 Ca 0.17 -0.97 0.04 0.00 0.00 0.00 0.00 53.44 52.68 3i1s n ALA 161 Cb 0.43 0.03 0.21 0.00 0.00 0.00 0.00 19.45 20.12 3i1s n ALA 161 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i1s n GLU 162 N -3.41 0.05 0.00 0.00 1.02 -0.48 0.64 120.64 118.47 3i1s n GLU 162 Ca -0.42 0.54 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 3i1s n GLU 162 Cb 0.90 -1.69 0.40 0.00 -0.02 0.00 0.00 31.44 31.03 3i1s n GLU 162 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3i1s n GLN 163 N -1.76 1.27 0.00 3.49 -0.06 -1.24 -4.90 117.38 114.18 3i1s n GLN 163 Ca -0.01 -0.79 0.00 0.00 -2.00 0.00 0.00 57.00 54.20 3i1s n GLN 163 Cb 0.04 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 3i1s n GLN 163 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3i1s n ARG 164 N -0.17 1.67 -0.00 3.69 1.74 0.21 -5.06 116.66 118.73 3i1s n ARG 164 Ca 0.15 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.27 3i1s n ARG 164 Cb 0.37 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.74 3i1s n ARG 164 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3i1s n GLU 165 N 0.00 0.55 -2.18 5.56 -0.00 -1.26 -5.09 120.64 118.22 3i1s n GLU 165 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 3i1s n GLU 165 Cb 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 31.44 30.25 3i1s n GLU 165 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i1s n LYS 166 N -1.77 -5.16 -0.84 3.44 4.81 -1.26 -4.99 118.16 112.38 3i1s n LYS 166 Ca -0.01 3.67 -0.30 0.00 -0.87 0.00 0.00 58.31 60.80 3i1s n LYS 166 Cb 0.23 -4.24 0.17 0.00 0.02 0.00 0.00 35.03 31.21 3i1s n LYS 166 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3i1s s PRO 167 N -0.52 0.71 -0.22 1.64 0.04 -1.26 -5.03 135.00 130.35 3i1s s PRO 167 Ca 0.00 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.21 3i1s s PRO 167 Cb 0.00 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.68 3i1s s PRO 167 CO 0.00 -2.72 -0.21 2.41 0.04 0.00 0.00 177.00 176.53 3i1s n THR 168 N -4.25 1.28 0.88 1.26 -1.04 -1.26 -4.66 114.28 106.49 3i1s n THR 168 Ca 0.08 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 3i1s n THR 168 Cb 0.53 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 3i1s n THR 168 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3i1s n TRP 169 N -3.22 0.00 -3.65 -1.42 2.14 -1.26 -4.68 117.44 105.35 3i1s n TRP 169 Ca -0.40 -0.45 -0.01 0.00 2.07 0.00 0.00 57.50 58.71 3i1s n TRP 169 Cb 0.91 -0.24 -0.06 0.00 -0.81 0.00 0.00 31.31 31.11 3i1s n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 3i1s s LEU 170 N 0.00 -0.24 0.34 5.67 0.05 -1.26 -1.82 118.68 121.42 3i1s s LEU 170 Ca 0.00 0.40 -0.05 0.00 0.05 0.00 0.00 54.13 54.52 3i1s s LEU 170 Cb 0.00 1.37 -0.05 0.00 -2.05 0.00 0.00 46.19 45.46 3i1s s LEU 170 CO 0.00 -0.06 0.62 -1.83 -0.55 0.00 0.00 176.35 174.53 3i1s s GLU 171 N 0.94 3.63 -0.21 1.48 -1.05 -1.16 -4.91 118.70 117.42 3i1s s GLU 171 Ca -0.05 0.07 -0.14 0.00 -0.15 0.00 0.00 54.97 54.69 3i1s s GLU 171 Cb -0.03 -2.57 0.06 0.00 -0.44 0.00 0.00 34.13 31.15 3i1s s GLU 171 CO -0.12 0.11 0.52 0.54 0.95 0.00 0.00 175.26 177.26 3i1s s VAL 172 N -2.25 -0.01 -0.59 1.83 0.11 -1.26 -0.78 120.40 117.46 3i1s s VAL 172 Ca 0.45 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.34 3i1s s VAL 172 Cb -0.10 -0.75 0.09 0.00 -1.53 0.00 0.00 36.38 34.08 3i1s s VAL 172 CO 0.33 0.01 0.74 -0.62 -3.33 0.00 0.00 175.10 172.23 3i1s s ASP 173 N 1.01 6.19 0.62 3.54 3.68 -0.95 -4.90 116.67 125.87 3i1s s ASP 173 Ca -0.06 -1.23 0.36 0.00 2.13 0.00 0.00 52.55 53.75 3i1s s ASP 173 Cb -0.06 -2.32 2.06 0.00 -1.45 0.00 0.00 42.92 41.15 3i1s s ASP 173 CO -0.09 -1.13 2.29 0.00 0.13 0.00 0.00 175.17 176.37 3i1s h ALA 174 N 9.22 1.33 0.00 3.66 0.00 -1.99 -1.55 119.26 129.93 3i1s h ALA 174 Ca -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3i1s h ALA 174 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3i1s h ALA 174 CO 1.09 -0.02 -0.42 0.78 0.00 0.00 0.00 179.25 180.67 3i1s h GLY 175 N 0.00 0.00 1.87 0.00 0.00 -1.96 -3.36 103.07 99.62 3i1s h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i1s h GLY 175 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 3i1s n LYS 176 N -4.64 0.01 -3.36 4.80 3.00 -1.11 -4.87 118.16 112.00 3i1s n LYS 176 Ca -0.09 0.39 -0.16 0.00 -0.00 0.00 0.00 58.31 58.45 3i1s n LYS 176 Cb 0.27 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.81 3i1s n LYS 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3i1s n MET 177 N -1.44 -1.65 -3.15 1.64 2.81 -0.60 -4.85 117.12 109.88 3i1s n MET 177 Ca 0.01 1.32 0.06 0.00 -1.81 0.00 0.00 57.70 57.28 3i1s n MET 177 Cb 0.03 -3.97 -0.02 0.00 -0.71 0.00 0.00 33.22 28.56 3i1s n MET 177 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i1s s GLU 178 N -3.55 0.00 0.00 0.03 2.12 -1.21 -2.73 118.70 113.36 3i1s s GLU 178 Ca 0.10 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.43 3i1s s GLU 178 Cb -0.02 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.38 3i1s s GLU 178 CO 0.82 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.95 3i1s n GLY 179 N 5.48 0.76 3.05 -1.50 0.00 -0.72 -2.23 105.19 110.03 3i1s n GLY 179 Ca -0.09 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 3i1s n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1s s THR 180 N 0.68 -0.84 -0.70 2.61 2.01 0.04 -3.24 115.64 116.20 3i1s s THR 180 Ca 0.00 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 3i1s s THR 180 Cb 0.00 -1.00 -0.13 0.00 0.01 0.00 0.00 72.50 71.38 3i1s s THR 180 CO 0.00 -0.12 2.42 0.33 -0.69 0.00 0.00 174.62 176.56 3i1s n PHE 181 N 5.39 1.16 0.00 4.92 7.35 0.31 -3.01 117.46 133.58 3i1s n PHE 181 Ca 0.03 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 3i1s n PHE 181 Cb 0.52 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.88 3i1s n PHE 181 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3i1s n LYS 182 N 8.65 0.00 -4.46 -4.13 4.81 -0.76 -1.06 118.16 121.21 3i1s n LYS 182 Ca 0.46 0.08 -0.24 0.00 -0.87 0.00 0.00 58.31 57.74 3i1s n LYS 182 Cb 0.43 -1.02 -0.08 0.00 0.02 0.00 0.00 35.03 34.39 3i1s n LYS 182 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3i1s s ARG 183 N -1.18 1.87 0.21 1.64 1.70 -1.18 -0.77 118.95 121.25 3i1s s ARG 183 Ca 0.00 -2.13 -0.30 0.00 -0.47 0.00 0.00 55.73 52.83 3i1s s ARG 183 Cb 0.00 -0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 33.86 3i1s s ARG 183 CO 0.00 -0.50 1.44 0.15 -1.08 0.00 0.00 175.30 175.31 3i1s s LYS 184 N -3.68 4.28 0.61 3.89 -0.14 -1.26 -4.88 119.74 118.57 3i1s s LYS 184 Ca 0.27 2.25 -0.18 0.00 -1.36 0.00 0.00 55.97 56.95 3i1s s LYS 184 Cb 0.03 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 3i1s s LYS 184 CO 0.17 -0.43 1.23 -1.25 -0.76 0.00 0.00 175.35 174.30 3i1s s PRO 185 N 0.15 2.83 -0.06 -1.68 0.04 -1.26 -4.96 135.00 130.06 3i1s s PRO 185 Ca 0.62 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.58 3i1s s PRO 185 Cb -0.41 -1.90 -0.25 0.00 0.04 0.00 0.00 34.50 31.98 3i1s s PRO 185 CO 0.38 -1.33 0.60 0.93 0.04 0.00 0.00 177.00 177.62 3i1s h GLU 186 N 0.74 0.11 0.00 4.56 4.39 -1.94 -3.49 114.58 118.95 3i1s h GLU 186 Ca -0.50 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.00 3i1s h GLU 186 Cb 1.31 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3i1s h GLU 186 CO 0.54 0.81 0.00 -2.13 -1.16 0.00 0.00 179.01 177.07 3i1s n ARG 187 N -3.24 0.00 0.00 2.33 3.00 -1.26 -4.84 116.66 112.65 3i1s n ARG 187 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 3i1s n ARG 187 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.51 3i1s n ARG 187 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3i1s n SER 188 N 0.47 0.00 -0.03 6.15 3.41 -1.26 0.58 113.62 122.94 3i1s n SER 188 Ca 0.00 0.30 0.01 0.00 -0.26 0.00 0.00 58.87 58.92 3i1s n SER 188 Cb 0.00 -0.30 -0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3i1s n SER 188 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i1s n ASP 189 N -1.28 0.59 -0.05 4.04 5.68 -1.26 -4.75 116.55 119.52 3i1s n ASP 189 Ca 0.00 -0.80 -0.08 0.00 -0.50 0.00 0.00 54.79 53.42 3i1s n ASP 189 Cb 0.08 0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 40.52 3i1s n ASP 189 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3i1s n LEU 190 N -0.48 2.74 -4.21 -2.12 0.00 0.20 -4.90 117.00 108.23 3i1s n LEU 190 Ca 0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 56.01 55.71 3i1s n LEU 190 Cb 0.03 -0.35 0.19 0.00 0.00 0.00 0.00 43.42 43.29 3i1s n LEU 190 CO 0.02 0.62 -0.18 -1.20 0.00 0.00 0.00 177.39 176.65 3i1s n SER 191 N -2.87 -2.74 0.00 1.96 7.64 0.15 -5.03 113.62 112.73 3i1s n SER 191 Ca -0.18 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.39 3i1s n SER 191 Cb 0.69 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3i1s n SER 191 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1s n ALA 192 N -4.68 0.00 0.69 -0.43 0.00 -1.26 -4.95 120.51 109.88 3i1s n ALA 192 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1s n ALA 192 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1s n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1s n ASP 193 N 0.00 1.50 -4.40 0.00 9.92 -1.26 -4.66 116.55 117.64 3i1s n ASP 193 Ca 0.00 -1.38 -0.36 0.00 -0.53 0.00 0.00 54.79 52.52 3i1s n ASP 193 Cb 0.00 -0.34 -0.13 0.00 -0.64 0.00 0.00 41.12 40.01 3i1s n ASP 193 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3i1s s ILE 194 N -0.23 4.06 -0.82 0.53 -4.36 -1.26 -5.06 121.20 114.06 3i1s s ILE 194 Ca 0.00 -0.30 -0.16 0.00 -0.26 0.00 0.00 60.65 59.93 3i1s s ILE 194 Cb 0.00 -2.91 0.17 0.00 1.25 0.00 0.00 42.46 40.97 3i1s s ILE 194 CO 0.00 0.33 0.88 0.20 0.24 0.00 0.00 174.94 176.59 3i1s s ASN 195 N 1.57 6.62 0.24 4.36 0.01 -1.26 -4.95 114.94 121.53 3i1s s ASN 195 Ca 0.06 -2.26 -0.06 0.00 -0.71 0.00 0.00 52.86 49.89 3i1s s ASN 195 Cb -0.15 -2.29 0.31 0.00 0.41 0.00 0.00 41.25 39.53 3i1s s ASN 195 CO 0.02 -0.83 1.86 1.05 -1.51 0.00 0.00 177.10 177.69 3i1s h GLU 196 N 8.38 0.98 -0.83 -0.60 9.09 -1.97 -2.63 114.58 127.01 3i1s h GLU 196 Ca 0.06 -0.06 0.18 0.00 0.05 0.00 0.00 59.36 59.59 3i1s h GLU 196 Cb 1.04 -0.22 -0.11 0.00 -1.65 0.00 0.00 28.75 27.81 3i1s h GLU 196 CO 0.94 0.65 0.33 1.12 0.05 0.00 0.00 179.01 182.10 3i1s h HIS 197 N 1.01 0.56 -0.59 2.06 2.07 -1.93 -1.14 115.15 117.19 3i1s h HIS 197 Ca 0.37 0.04 0.11 0.00 -2.85 0.00 0.00 60.37 58.04 3i1s h HIS 197 Cb 0.12 -0.12 -0.12 0.00 2.57 0.00 0.00 27.41 29.87 3i1s h HIS 197 CO -0.03 0.00 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.48 3i1s h LEU 198 N 0.41 -0.99 0.00 6.12 3.38 -1.88 0.29 115.31 122.65 3i1s h LEU 198 Ca 0.49 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3i1s h LEU 198 Cb 0.84 0.52 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3i1s h LEU 198 CO -0.48 -0.28 0.00 2.30 0.09 0.00 0.00 178.44 180.07 3i1s n ILE 199 N -5.44 0.02 -0.06 1.22 -5.35 -0.45 -1.34 119.36 107.97 3i1s n ILE 199 Ca 0.05 0.01 -0.05 0.00 -0.27 0.00 0.00 62.75 62.49 3i1s n ILE 199 Cb 0.35 -0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 37.63 3i1s n ILE 199 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3i1s h VAL 200 N 0.00 0.37 -0.76 7.28 2.07 -0.34 -3.31 116.25 121.55 3i1s h VAL 200 Ca 0.00 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.28 3i1s h VAL 200 Cb 0.03 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 3i1s h VAL 200 CO 0.00 0.12 -0.45 -0.62 0.02 0.00 0.00 177.57 176.64 3i1s n GLU 201 N -4.69 -0.34 -0.35 1.57 1.02 -0.06 -0.08 120.64 117.72 3i1s n GLU 201 Ca -0.06 1.38 0.24 0.00 -0.02 0.00 0.00 57.16 58.70 3i1s n GLU 201 Cb 0.19 -2.03 0.48 0.00 -0.02 0.00 0.00 31.44 30.07 3i1s n GLU 201 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i1s h LEU 202 N 0.00 0.50 0.11 -4.62 6.46 -1.40 -2.52 115.31 113.84 3i1s h LEU 202 Ca 0.12 0.16 -0.35 0.00 -0.12 0.00 0.00 57.88 57.69 3i1s h LEU 202 Cb 0.31 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 3i1s h LEU 202 CO -0.72 -0.07 -1.92 1.88 -0.62 0.00 0.00 178.44 176.99 3i1s h TYR 203 N 0.35 0.41 -1.46 1.25 0.99 -0.85 -3.37 116.97 114.29 3i1s h TYR 203 Ca 0.71 -0.30 -0.75 0.00 2.00 0.00 0.00 58.73 60.39 3i1s h TYR 203 Cb 1.68 -0.02 -0.15 0.00 1.00 0.00 0.00 36.73 39.24 3i1s h TYR 203 CO -0.01 1.63 1.95 -1.13 -0.00 0.00 0.00 178.16 180.60 3i1s n SER 204 N -3.41 5.06 0.00 3.88 3.41 0.88 -5.10 113.62 118.35 3i1s n SER 204 Ca -0.28 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 3i1s n SER 204 Cb 1.05 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 3i1s n SER 204 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05