#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5h n VAL 8 N 0.00 0.18 0.00 1.55 0.24 -1.26 -2.48 118.33 116.56 3i5h n VAL 8 Ca 0.00 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 3i5h n VAL 8 Cb 0.00 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 3i5h n VAL 8 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i5h n LYS 9 N -0.80 0.00 -1.81 7.34 3.00 -1.26 -3.68 118.16 120.95 3i5h n LYS 9 Ca 0.00 0.08 -0.20 0.00 -0.00 0.00 0.00 58.31 58.19 3i5h n LYS 9 Cb 0.13 -1.80 -0.08 0.00 0.00 0.00 0.00 35.03 33.28 3i5h n LYS 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3i5h s LEU 10 N -1.99 2.82 1.20 3.14 2.96 -1.03 -4.87 118.68 120.91 3i5h s LEU 10 Ca 0.00 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 52.91 3i5h s LEU 10 Cb 0.00 -2.58 0.28 0.00 0.50 0.00 0.00 46.19 44.40 3i5h s LEU 10 CO 0.00 -3.71 1.06 -0.94 -1.32 0.00 0.00 176.35 171.44 3i5h s SER 11 N 8.51 0.86 0.27 3.68 1.04 -1.24 -4.63 113.70 122.19 3i5h s SER 11 Ca 0.79 0.89 0.07 0.00 0.48 0.00 0.00 55.95 58.18 3i5h s SER 11 Cb -0.06 -1.32 0.37 0.00 0.10 0.00 0.00 66.02 65.10 3i5h s SER 11 CO 0.10 -4.19 1.63 -0.61 0.98 0.00 0.00 173.24 171.16 3i5h h GLN 12 N -2.62 0.18 0.00 4.02 4.15 -1.93 0.49 115.11 119.40 3i5h h GLN 12 Ca -0.49 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 58.81 3i5h h GLN 12 Cb 1.32 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 3i5h h GLN 12 CO 0.40 0.67 -0.08 0.00 -1.93 0.00 0.00 178.83 177.89 3i5h h ARG 13 N 0.14 0.00 0.08 1.69 -0.00 -1.96 -0.50 114.38 113.82 3i5h h ARG 13 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.98 59.11 3i5h h ARG 13 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.92 3i5h h ARG 13 CO 0.08 0.08 -2.11 1.04 0.00 0.00 0.00 179.97 179.06 3i5h n GLN 14 N -3.85 0.71 0.15 0.04 6.02 -0.53 -3.02 117.38 116.91 3i5h n GLN 14 Ca -0.02 0.25 0.01 0.00 -0.01 0.00 0.00 57.00 57.23 3i5h n GLN 14 Cb 0.18 -1.65 0.23 0.00 1.02 0.00 0.00 30.24 30.02 3i5h n GLN 14 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3i5h h MET 15 N -0.06 0.00 0.13 -1.09 2.86 0.15 -1.77 114.93 115.14 3i5h h MET 15 Ca -0.48 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 56.93 3i5h h MET 15 Cb 1.93 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.60 3i5h h MET 15 CO -0.00 0.54 -1.12 0.37 1.06 0.00 0.00 176.91 177.75 3i5h h GLN 16 N 0.00 0.27 0.00 1.72 5.75 -1.29 -1.55 115.11 120.01 3i5h h GLN 16 Ca -0.01 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3i5h h GLN 16 Cb 1.02 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.74 3i5h h GLN 16 CO 0.07 1.22 0.29 1.49 -2.65 0.00 0.00 178.83 179.25 3i5h h GLU 17 N -0.34 0.00 0.00 1.69 4.81 -1.44 1.50 114.58 120.80 3i5h h GLU 17 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3i5h h GLU 17 Cb 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 3i5h h GLU 17 CO 0.10 0.00 -1.10 1.28 -0.73 0.00 0.00 179.01 178.56 3i5h n LEU 18 N -2.47 0.58 0.07 1.64 4.77 -0.68 -4.24 117.00 116.67 3i5h n LEU 18 Ca -0.01 -0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 55.50 3i5h n LEU 18 Cb 0.32 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 3i5h n LEU 18 CO 0.10 0.15 0.38 0.50 -1.33 0.00 0.00 177.39 177.19 3i5h h LYS 19 N 0.00 -0.24 0.00 3.23 1.63 0.32 -2.71 116.57 118.79 3i5h h LYS 19 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3i5h h LYS 19 Cb 0.52 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3i5h h LYS 19 CO 0.00 0.16 0.00 0.39 -3.45 0.00 0.00 179.45 176.55 3i5h n GLU 20 N -4.95 0.09 -0.10 1.90 1.02 -0.95 -1.20 120.64 116.45 3i5h n GLU 20 Ca -0.08 0.24 -0.19 0.00 -0.02 0.00 0.00 57.16 57.11 3i5h n GLU 20 Cb 0.26 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 3i5h n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i5h h ALA 21 N 2.33 0.22 0.00 0.62 0.00 -1.72 -3.35 119.26 117.36 3i5h h ALA 21 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 54.91 53.76 3i5h h ALA 21 Cb 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i5h h ALA 21 CO 0.00 0.65 -0.31 0.35 0.00 0.00 0.00 179.25 179.94 3i5h h PHE 22 N -1.00 0.00 0.71 0.00 3.04 -1.14 -3.27 116.94 115.27 3i5h h PHE 22 Ca -0.29 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.63 3i5h h PHE 22 Cb 1.18 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.69 3i5h h PHE 22 CO 0.06 0.31 -0.36 1.15 -2.02 0.00 0.00 178.31 177.45 3i5h h THR 23 N 0.00 0.00 -0.70 4.41 2.02 -1.33 -2.23 112.91 115.08 3i5h h THR 23 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 3i5h h THR 23 Cb 0.74 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.05 3i5h h THR 23 CO 0.04 0.00 0.19 -0.03 0.37 0.00 0.00 175.52 176.09 3i5h h MET 24 N -0.97 0.30 -0.70 6.66 1.85 -1.69 0.44 114.93 120.82 3i5h h MET 24 Ca -0.10 -0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.09 3i5h h MET 24 Cb 0.75 -0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.64 3i5h h MET 24 CO 0.14 0.20 0.29 0.82 -0.40 0.00 0.00 176.91 177.96 3i5h h ILE 25 N 0.30 0.75 0.00 1.77 2.04 -1.60 -3.41 117.51 117.36 3i5h h ILE 25 Ca 0.39 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.08 3i5h h ILE 25 Cb 0.62 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3i5h h ILE 25 CO -0.46 0.09 0.00 -0.67 0.00 0.00 0.00 178.15 177.11 3i5h n ASP 26 N -4.96 0.00 0.00 1.72 -0.08 0.15 -4.54 116.55 108.84 3i5h n ASP 26 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 3i5h n ASP 26 Cb 0.33 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.79 3i5h n ASP 26 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3i5h n GLN 27 N 0.00 -0.39 -2.80 -0.67 7.27 -1.26 -4.72 117.38 114.81 3i5h n GLN 27 Ca 0.00 0.10 -0.39 0.00 0.07 0.00 0.00 57.00 56.78 3i5h n GLN 27 Cb 0.00 -3.52 -0.06 0.00 2.41 0.00 0.00 30.24 29.07 3i5h n GLN 27 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i5h s ASP 28 N -2.30 7.50 0.00 1.69 -1.08 -1.26 -4.72 116.67 116.50 3i5h s ASP 28 Ca 0.00 1.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.89 3i5h s ASP 28 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 3i5h s ASP 28 CO 0.00 0.10 0.11 0.54 0.52 0.00 0.00 175.17 176.44 3i5h n ARG 29 N 1.21 0.00 -3.21 4.34 1.74 -1.26 0.70 116.66 120.17 3i5h n ARG 29 Ca -0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.96 3i5h n ARG 29 Cb 0.48 -0.11 0.04 0.00 -1.02 0.00 0.00 32.46 31.85 3i5h n ARG 29 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i5h n ASP 30 N 0.50 -6.97 -2.27 0.55 8.00 -1.26 -4.66 116.55 110.44 3i5h n ASP 30 Ca 0.00 -0.51 -0.02 0.00 0.71 0.00 0.00 54.79 54.97 3i5h n ASP 30 Cb 0.06 -5.12 0.00 0.00 -0.02 0.00 0.00 41.12 36.04 3i5h n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i5h n GLY 31 N -1.44 -2.61 3.15 0.44 0.00 0.22 -5.09 105.19 99.85 3i5h n GLY 31 Ca -0.05 0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.43 3i5h n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5h s PHE 32 N -1.41 -1.33 -0.93 1.61 0.40 -1.25 -4.66 117.98 110.41 3i5h s PHE 32 Ca 0.06 1.28 -0.26 0.00 -0.60 0.00 0.00 56.93 57.41 3i5h s PHE 32 Cb -0.02 0.42 -0.16 0.00 0.51 0.00 0.00 43.02 43.77 3i5h s PHE 32 CO 0.47 -0.74 2.24 0.42 0.70 0.00 0.00 175.22 178.31 3i5h s ILE 33 N 2.88 3.08 0.09 0.64 1.01 -0.74 -4.49 121.20 123.67 3i5h s ILE 33 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3i5h s ILE 33 Cb -0.12 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3i5h s ILE 33 CO -0.19 -0.15 0.23 -0.83 0.00 0.00 0.00 174.94 173.99 3i5h s GLY 34 N 9.58 2.02 0.03 6.18 0.00 -1.26 -4.66 107.32 119.20 3i5h s GLY 34 Ca 0.86 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 3i5h s GLY 34 CO 0.11 -0.90 0.17 1.03 0.00 0.00 0.00 173.10 173.51 3i5h n MET 35 N 0.01 -0.01 -0.03 2.90 2.81 -1.26 0.25 117.12 121.78 3i5h n MET 35 Ca -0.06 0.17 -0.12 0.00 -1.81 0.00 0.00 57.70 55.88 3i5h n MET 35 Cb 0.52 -0.25 -0.07 0.00 -0.71 0.00 0.00 33.22 32.71 3i5h n MET 35 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i5h h GLU 36 N 0.00 0.18 -1.08 0.03 5.08 -1.95 -0.50 114.58 116.33 3i5h h GLU 36 Ca 0.05 -0.06 0.31 0.00 -1.00 0.00 0.00 59.36 58.67 3i5h h GLU 36 Cb 0.08 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.19 3i5h h GLU 36 CO -0.11 0.43 0.67 -0.44 -1.00 0.00 0.00 179.01 178.56 3i5h h ASP 37 N -0.09 0.46 0.01 1.42 5.19 0.30 0.64 116.42 124.35 3i5h h ASP 37 Ca 0.03 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3i5h h ASP 37 Cb 0.35 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3i5h h ASP 37 CO 0.01 -0.03 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.02 3i5h h LEU 38 N 0.34 -0.01 -1.25 1.55 3.38 -0.97 -2.48 115.31 115.88 3i5h h LEU 38 Ca 0.69 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.92 3i5h h LEU 38 Cb 1.73 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.38 3i5h h LEU 38 CO -0.43 0.01 0.65 0.07 0.09 0.00 0.00 178.44 178.82 3i5h h LYS 39 N -0.04 0.44 0.72 1.13 2.10 -0.79 0.35 116.57 120.48 3i5h h LYS 39 Ca -0.00 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 3i5h h LYS 39 Cb 0.01 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.23 3i5h h LYS 39 CO 0.00 0.29 -0.44 -0.44 -2.00 0.00 0.00 179.45 176.86 3i5h h ASP 40 N 0.45 -1.11 -0.93 7.07 5.19 0.16 -2.94 116.42 124.32 3i5h h ASP 40 Ca 0.61 0.06 0.15 0.00 -0.62 0.00 0.00 57.03 57.24 3i5h h ASP 40 Cb 1.43 0.32 -0.15 0.00 0.18 0.00 0.00 39.33 41.11 3i5h h ASP 40 CO -0.36 -0.68 -0.34 0.80 -3.12 0.00 0.00 179.24 175.54 3i5h n MET 41 N -5.58 -0.20 0.00 3.56 1.56 0.12 0.21 117.12 116.79 3i5h n MET 41 Ca -0.14 1.43 0.00 0.00 -0.27 0.00 0.00 57.70 58.72 3i5h n MET 41 Cb 0.46 -2.12 0.00 0.00 2.15 0.00 0.00 33.22 33.71 3i5h n MET 41 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3i5h n PHE 42 N -5.39 0.00 -0.10 1.12 3.72 -0.80 -1.71 117.46 114.31 3i5h n PHE 42 Ca 0.10 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.35 3i5h n PHE 42 Cb 0.39 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.86 3i5h n PHE 42 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3i5h n SER 43 N -0.27 1.86 -0.10 4.37 2.88 0.13 -4.09 113.62 118.39 3i5h n SER 43 Ca 0.00 0.48 0.12 0.00 -1.33 0.00 0.00 58.87 58.14 3i5h n SER 43 Cb 0.00 -0.89 0.67 0.00 -0.75 0.00 0.00 64.21 63.24 3i5h n SER 43 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i5h n SER 44 N -4.48 0.31 0.08 -3.46 7.64 -0.69 -3.17 113.62 109.85 3i5h n SER 44 Ca -0.24 -1.31 0.12 0.00 1.01 0.00 0.00 58.87 58.45 3i5h n SER 44 Cb 0.54 -0.01 0.21 0.00 -1.01 0.00 0.00 64.21 63.94 3i5h n SER 44 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3i5h h LEU 45 N 0.44 0.00 1.90 -3.43 7.12 -1.60 -3.48 115.31 116.26 3i5h h LEU 45 Ca 0.00 -0.14 -0.38 0.00 0.13 0.00 0.00 57.88 57.49 3i5h h LEU 45 Cb 0.10 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.24 3i5h h LEU 45 CO 0.00 0.07 -0.53 0.61 -0.13 0.00 0.00 178.44 178.46 3i5h n GLY 46 N 1.31 -0.43 3.27 3.75 0.00 -1.19 -4.97 105.19 106.93 3i5h n GLY 46 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.08 3i5h n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5h s ARG 47 N -5.27 0.38 0.00 1.61 0.52 -1.26 -5.13 118.95 109.80 3i5h s ARG 47 Ca 0.13 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 3i5h s ARG 47 Cb -0.06 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.86 3i5h s ARG 47 CO 0.16 -0.31 0.00 1.33 0.02 0.00 0.00 175.30 176.50 3i5h n VAL 48 N 5.33 0.00 -3.96 3.52 0.24 -1.26 -4.86 118.33 117.34 3i5h n VAL 48 Ca -0.06 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 3i5h n VAL 48 Cb 0.52 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 3i5h n VAL 48 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i5h s PRO 49 N 0.00 0.57 0.02 7.34 0.04 -1.26 -4.97 135.00 136.73 3i5h s PRO 49 Ca 0.00 -0.84 0.02 0.00 0.04 0.00 0.00 61.00 60.22 3i5h s PRO 49 Cb 0.00 0.22 -0.01 0.00 0.04 0.00 0.00 34.50 34.74 3i5h s PRO 49 CO 0.00 -0.13 -0.07 -1.25 0.04 0.00 0.00 177.00 175.59 3i5h s PRO 50 N -2.79 0.53 0.04 0.56 0.05 -1.26 -5.11 135.00 127.02 3i5h s PRO 50 Ca -0.03 -0.45 -0.29 0.00 0.05 0.00 0.00 61.00 60.28 3i5h s PRO 50 Cb -0.00 -0.44 -0.17 0.00 0.05 0.00 0.00 34.50 33.94 3i5h s PRO 50 CO -0.06 0.11 1.42 -0.44 0.05 0.00 0.00 177.00 178.08 3i5h h ASP 51 N 5.37 -0.58 0.48 6.66 3.32 -2.03 -1.98 116.42 127.67 3i5h h ASP 51 Ca -0.32 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3i5h h ASP 51 Cb 1.19 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 3i5h h ASP 51 CO 0.46 -0.30 -0.49 -0.78 -1.72 0.00 0.00 179.24 176.41 3i5h h ASP 52 N -0.85 -1.36 -0.62 6.45 1.82 -2.00 -2.93 116.42 116.93 3i5h h ASP 52 Ca -0.07 0.11 0.12 0.00 -0.39 0.00 0.00 57.03 56.80 3i5h h ASP 52 Cb 0.59 0.45 -0.09 0.00 0.68 0.00 0.00 39.33 40.97 3i5h h ASP 52 CO 0.12 -0.65 0.13 -0.33 -1.61 0.00 0.00 179.24 176.90 3i5h h GLU 53 N -0.98 0.25 -0.18 0.28 5.08 -1.97 0.43 114.58 117.50 3i5h h GLU 53 Ca -0.06 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3i5h h GLU 53 Cb 0.85 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3i5h h GLU 53 CO -0.07 0.17 0.26 1.25 -1.00 0.00 0.00 179.01 179.62 3i5h h LEU 54 N 0.26 0.00 0.05 1.33 5.85 -1.21 -0.63 115.31 120.96 3i5h h LEU 54 Ca 0.33 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.72 3i5h h LEU 54 Cb 0.50 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3i5h h LEU 54 CO -0.42 0.00 -1.80 -3.20 -0.34 0.00 0.00 178.44 172.68 3i5h n ASN 55 N -3.53 1.99 0.00 1.25 4.05 0.12 -3.90 115.26 115.23 3i5h n ASN 55 Ca 0.02 0.28 0.00 0.00 0.45 0.00 0.00 54.58 55.33 3i5h n ASN 55 Cb 0.38 -0.86 0.00 0.00 1.23 0.00 0.00 39.78 40.52 3i5h n ASN 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i5h n ALA 56 N -3.33 0.87 -0.05 5.20 0.00 0.75 0.14 120.51 124.10 3i5h n ALA 56 Ca -0.36 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 3i5h n ALA 56 Cb 0.88 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 19.49 3i5h n ALA 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i5h n MET 57 N -1.09 0.66 -0.01 0.00 2.81 -0.83 -4.19 117.12 114.47 3i5h n MET 57 Ca 0.00 0.03 -0.16 0.00 -1.81 0.00 0.00 57.70 55.76 3i5h n MET 57 Cb 0.08 -1.61 -0.11 0.00 -0.71 0.00 0.00 33.22 30.87 3i5h n MET 57 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3i5h h LEU 58 N 0.00 0.34 -0.70 4.03 6.46 0.11 -3.29 115.31 122.27 3i5h h LEU 58 Ca -0.34 -0.77 0.28 0.00 -0.12 0.00 0.00 57.88 56.93 3i5h h LEU 58 Cb 1.84 -0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 41.54 3i5h h LEU 58 CO 0.03 1.07 0.33 0.29 -0.62 0.00 0.00 178.44 179.54 3i5h n LYS 59 N -4.39 -0.04 -0.11 1.25 5.02 -0.81 -1.53 118.16 117.54 3i5h n LYS 59 Ca -0.10 0.98 -0.03 0.00 -2.02 0.00 0.00 58.31 57.14 3i5h n LYS 59 Cb 0.57 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3i5h n LYS 59 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i5h n GLU 60 N -4.63 -0.11 -2.41 1.97 -0.58 -1.24 -4.47 120.64 109.17 3i5h n GLU 60 Ca 0.25 1.11 -0.29 0.00 -0.42 0.00 0.00 57.16 57.82 3i5h n GLU 60 Cb 0.86 -1.66 -0.00 0.00 -0.57 0.00 0.00 31.44 30.07 3i5h n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i5h n PRO 62 N -2.33 0.00 -3.65 0.00 -0.02 -1.26 -4.85 135.00 122.90 3i5h n PRO 62 Ca 0.02 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.30 3i5h n PRO 62 Cb 0.55 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 3i5h n PRO 62 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i5h s GLY 63 N -0.89 0.22 -0.06 -1.23 0.00 -1.26 -4.86 107.32 99.24 3i5h s GLY 63 Ca 0.00 3.29 -0.04 0.00 0.00 0.00 0.00 44.72 47.97 3i5h s GLY 63 CO 0.00 2.01 0.08 -0.18 0.00 0.00 0.00 173.10 175.01 3i5h n GLN 64 N 1.98 -1.78 -3.28 2.90 7.27 -1.26 -4.99 117.38 118.21 3i5h n GLN 64 Ca -0.12 1.64 -0.46 0.00 0.07 0.00 0.00 57.00 58.14 3i5h n GLN 64 Cb 0.57 -2.47 -0.04 0.00 2.41 0.00 0.00 30.24 30.70 3i5h n GLN 64 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3i5h s LEU 65 N -0.25 6.22 0.00 1.69 2.96 -1.26 -4.90 118.68 123.14 3i5h s LEU 65 Ca -0.09 -1.99 0.00 0.00 -0.22 0.00 0.00 54.13 51.82 3i5h s LEU 65 Cb 0.01 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3i5h s LEU 65 CO 0.26 -0.82 0.00 -0.46 -1.32 0.00 0.00 176.35 174.01 3i5h n ASN 66 N 5.07 0.00 0.00 3.68 6.94 -1.26 -1.80 115.26 127.89 3i5h n ASN 66 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 3i5h n ASN 66 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 3i5h n ASN 66 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 3i5h n PHE 67 N 0.00 0.00 0.23 -2.53 7.35 -1.26 -4.45 117.46 116.79 3i5h n PHE 67 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 3i5h n PHE 67 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 3i5h n PHE 67 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i5h h THR 68 N 0.00 0.00 -0.48 -2.13 2.02 -1.99 0.26 112.91 110.59 3i5h h THR 68 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 3i5h h THR 68 Cb 0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 3i5h h THR 68 CO 0.00 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.24 3i5h h ALA 69 N -1.31 2.45 -0.65 6.16 0.00 -1.90 0.73 119.26 124.73 3i5h h ALA 69 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i5h h ALA 69 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3i5h h ALA 69 CO 0.01 -0.60 0.31 0.35 0.00 0.00 0.00 179.25 179.32 3i5h h PHE 70 N 0.00 0.92 0.06 0.00 3.57 -1.39 0.55 116.94 120.65 3i5h h PHE 70 Ca 0.23 -0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.44 3i5h h PHE 70 Cb 0.92 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.38 3i5h h PHE 70 CO 0.00 0.68 -1.08 -0.07 -2.23 0.00 0.00 178.31 175.60 3i5h h LEU 71 N 0.93 0.61 -0.82 0.59 3.38 0.11 -3.10 115.31 117.01 3i5h h LEU 71 Ca 0.23 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3i5h h LEU 71 Cb 0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3i5h h LEU 71 CO -0.03 1.36 0.38 0.74 0.09 0.00 0.00 178.44 180.99 3i5h h THR 72 N 0.22 1.26 0.00 0.22 2.02 -0.93 0.62 112.91 116.31 3i5h h THR 72 Ca -0.12 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3i5h h THR 72 Cb 1.75 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3i5h h THR 72 CO 0.19 0.31 0.00 0.25 0.37 0.00 0.00 175.52 176.65 3i5h h LEU 73 N 1.17 0.00 -3.96 2.58 5.85 -0.89 -0.93 115.31 119.13 3i5h h LEU 73 Ca 0.28 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.45 3i5h h LEU 73 Cb 0.14 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 40.87 3i5h h LEU 73 CO -0.03 0.00 0.70 0.49 -0.34 0.00 0.00 178.44 179.26 3i5h n PHE 74 N -2.97 3.06 -0.02 1.25 3.01 0.20 -4.55 117.46 117.43 3i5h n PHE 74 Ca -0.02 -2.14 -0.13 0.00 1.01 0.00 0.00 57.45 56.18 3i5h n PHE 74 Cb 0.13 -1.07 -0.08 0.00 -0.01 0.00 0.00 39.48 38.45 3i5h n PHE 74 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3i5h h GLY 75 N 1.32 0.14 1.22 1.37 0.00 -1.16 -3.01 103.07 102.96 3i5h h GLY 75 Ca 0.62 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.93 3i5h h GLY 75 CO 1.22 0.11 0.30 1.05 0.00 0.00 0.00 176.54 179.21 3i5h h GLU 76 N -0.25 0.00 0.00 4.80 4.11 -1.84 -1.82 114.58 119.58 3i5h h GLU 76 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.37 3i5h h GLU 76 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3i5h h GLU 76 CO 0.01 0.00 -0.37 -0.22 0.07 0.00 0.00 179.01 178.50 3i5h h LYS 77 N 0.00 0.00 0.14 1.06 3.64 -1.86 -3.29 116.57 116.26 3i5h h LYS 77 Ca 0.16 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.25 3i5h h LYS 77 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3i5h h LYS 77 CO -0.00 0.37 -1.42 0.28 -2.27 0.00 0.00 179.45 176.41 3i5h h VAL 78 N 0.00 1.07 -0.11 2.00 2.07 -1.39 -3.35 116.25 116.54 3i5h h VAL 78 Ca -0.00 -2.45 0.03 0.00 0.82 0.00 0.00 66.70 65.09 3i5h h VAL 78 Cb 0.80 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 3i5h h VAL 78 CO 0.05 0.74 -0.02 -1.20 0.02 0.00 0.00 177.57 177.16 3i5h n SER 79 N -3.87 -0.03 0.00 0.57 7.64 -1.19 -1.83 113.62 114.91 3i5h n SER 79 Ca -0.23 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3i5h n SER 79 Cb 0.93 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 3i5h n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5h n GLY 80 N -1.07 0.00 3.39 0.23 0.00 -1.26 -4.78 105.19 101.70 3i5h n GLY 80 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3i5h n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5h n THR 81 N -1.40 0.00 -2.76 2.61 -1.04 -0.76 -4.86 114.28 106.07 3i5h n THR 81 Ca 0.00 -0.43 -0.36 0.00 -2.04 0.00 0.00 64.05 61.21 3i5h n THR 81 Cb 0.02 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 67.82 3i5h n THR 81 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3i5h s ASP 82 N 3.23 7.20 1.01 8.00 1.01 -1.26 -4.98 116.67 130.87 3i5h s ASP 82 Ca 0.82 1.83 -0.21 0.00 0.71 0.00 0.00 52.55 55.71 3i5h s ASP 82 Cb -0.37 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 40.87 3i5h s ASP 82 CO 0.27 -0.17 -0.85 -0.81 0.21 0.00 0.00 175.17 173.82 3i5h n PRO 83 N 0.26 -0.23 0.00 8.23 -0.04 -1.26 -4.82 135.00 137.14 3i5h n PRO 83 Ca 0.03 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3i5h n PRO 83 Cb 0.51 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 3i5h n PRO 83 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i5h n GLU 84 N 1.45 0.00 -0.29 0.54 0.28 -1.26 -3.44 120.64 117.93 3i5h n GLU 84 Ca -0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.06 3i5h n GLU 84 Cb 0.64 -0.35 0.22 0.00 1.43 0.00 0.00 31.44 33.37 3i5h n GLU 84 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3i5h h ASP 85 N 0.00 0.47 -0.65 -1.84 3.32 -2.00 -2.62 116.42 113.10 3i5h h ASP 85 Ca 0.00 0.10 0.18 0.00 0.02 0.00 0.00 57.03 57.33 3i5h h ASP 85 Cb 0.00 0.03 -0.12 0.00 0.22 0.00 0.00 39.33 39.46 3i5h h ASP 85 CO 0.00 0.19 0.03 0.00 -1.72 0.00 0.00 179.24 177.74 3i5h n ALA 86 N -2.44 0.35 -0.08 3.45 0.00 -1.22 0.21 120.51 120.77 3i5h n ALA 86 Ca 0.16 0.70 -0.11 0.00 0.00 0.00 0.00 53.44 54.19 3i5h n ALA 86 Cb 0.43 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 3i5h n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i5h h LEU 87 N 0.00 0.40 0.07 0.00 3.38 -1.54 0.14 115.31 117.77 3i5h h LEU 87 Ca 0.40 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i5h h LEU 87 Cb 0.84 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3i5h h LEU 87 CO -0.61 0.60 -0.41 0.03 0.09 0.00 0.00 178.44 178.14 3i5h h ARG 88 N 0.19 -0.55 -0.55 1.13 3.08 0.24 0.13 114.38 118.05 3i5h h ARG 88 Ca 0.07 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.26 3i5h h ARG 88 Cb 0.39 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 3i5h h ARG 88 CO 0.01 -0.37 0.05 -0.97 -1.07 0.00 0.00 179.97 177.63 3i5h h ASN 89 N -0.57 -0.13 -1.05 7.04 -0.00 -1.12 0.30 115.58 120.06 3i5h h ASN 89 Ca -0.00 0.12 0.30 0.00 -0.00 0.00 0.00 56.30 56.72 3i5h h ASN 89 Cb 0.58 0.19 -0.13 0.00 -0.00 0.00 0.00 38.32 38.96 3i5h h ASN 89 CO -0.24 -0.04 0.63 0.00 -0.00 0.00 0.00 177.43 177.78 3i5h h ALA 90 N 1.46 2.06 0.19 1.57 0.00 0.87 0.45 119.26 125.87 3i5h h ALA 90 Ca 0.28 0.14 -0.30 0.00 0.00 0.00 0.00 54.91 55.03 3i5h h ALA 90 Cb 0.42 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i5h h ALA 90 CO -0.42 -0.60 -1.43 0.74 0.00 0.00 0.00 179.25 177.54 3i5h h PHE 91 N 0.38 0.73 -0.83 0.00 -1.00 0.17 -3.34 116.94 113.05 3i5h h PHE 91 Ca 0.69 -0.53 0.08 0.00 2.81 0.00 0.00 57.97 61.02 3i5h h PHE 91 Cb 1.63 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 41.06 3i5h h PHE 91 CO -0.01 1.55 -0.47 0.43 -1.61 0.00 0.00 178.31 178.21 3i5h n SER 92 N -3.79 -0.84 0.10 2.17 7.64 0.15 0.81 113.62 119.85 3i5h n SER 92 Ca -0.20 1.48 0.11 0.00 1.01 0.00 0.00 58.87 61.27 3i5h n SER 92 Cb 1.01 -0.21 0.17 0.00 -1.01 0.00 0.00 64.21 64.17 3i5h n SER 92 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3i5h n MET 93 N -5.07 0.02 -0.37 1.43 2.81 -0.53 0.20 117.12 115.62 3i5h n MET 93 Ca 0.03 0.93 0.09 0.00 -1.81 0.00 0.00 57.70 56.93 3i5h n MET 93 Cb 0.23 -2.42 0.24 0.00 -0.71 0.00 0.00 33.22 30.55 3i5h n MET 93 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3i5h n PHE 94 N -2.71 0.77 -3.81 2.03 3.01 0.24 -4.80 117.46 112.19 3i5h n PHE 94 Ca 0.09 -0.89 -0.30 0.00 1.01 0.00 0.00 57.45 57.36 3i5h n PHE 94 Cb 1.16 -0.28 -0.15 0.00 -0.01 0.00 0.00 39.48 40.20 3i5h n PHE 94 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i5h s ASP 95 N -2.06 4.20 0.15 4.37 2.15 0.54 -4.47 116.67 121.55 3i5h s ASP 95 Ca 0.40 -1.90 0.25 0.00 0.43 0.00 0.00 52.55 51.73 3i5h s ASP 95 Cb 0.32 -1.10 0.48 0.00 -0.30 0.00 0.00 42.92 42.33 3i5h s ASP 95 CO 0.08 -0.39 1.46 -0.62 -0.17 0.00 0.00 175.17 175.53 3i5h n GLU 96 N 4.54 0.29 -3.77 4.34 1.02 -1.26 -4.75 120.64 121.04 3i5h n GLU 96 Ca 0.01 0.13 -0.35 0.00 -0.02 0.00 0.00 57.16 56.92 3i5h n GLU 96 Cb 0.41 -1.73 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 3i5h n GLU 96 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i5h s ASP 97 N -4.33 6.03 -0.81 1.62 -1.08 -1.26 -4.99 116.67 111.85 3i5h s ASP 97 Ca 0.08 0.15 -0.33 0.00 -0.52 0.00 0.00 52.55 51.93 3i5h s ASP 97 Cb 0.13 -2.06 -0.19 0.00 -1.46 0.00 0.00 42.92 39.33 3i5h s ASP 97 CO 0.68 0.14 2.53 0.61 0.52 0.00 0.00 175.17 179.66 3i5h n GLY 98 N 3.78 -0.29 0.12 2.66 0.00 -1.26 -4.54 105.19 105.66 3i5h n GLY 98 Ca -0.16 1.08 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3i5h n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5h n GLN 99 N 8.35 0.00 0.00 1.61 6.02 -1.26 -4.69 117.38 127.41 3i5h n GLN 99 Ca 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 3i5h n GLN 99 Cb 0.09 -0.12 0.00 0.00 1.02 0.00 0.00 30.24 31.22 3i5h n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i5h n GLY 100 N -0.60 2.77 7.00 1.08 0.00 -1.26 -4.97 105.19 109.21 3i5h n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i5h n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5h n PHE 101 N -1.88 -0.16 -2.04 1.61 3.01 -1.26 -4.37 117.46 112.38 3i5h n PHE 101 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3i5h n PHE 101 Cb 0.00 0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 3i5h n PHE 101 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i5h s ILE 102 N 0.00 2.90 -0.21 4.37 1.01 -1.25 -4.76 121.20 123.27 3i5h s ILE 102 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 3i5h s ILE 102 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 3i5h s ILE 102 CO 0.00 0.06 1.71 -2.84 0.00 0.00 0.00 174.94 173.87 3i5h s PRO 103 N 0.96 3.73 0.04 2.79 0.02 -1.26 0.95 135.00 142.22 3i5h s PRO 103 Ca 0.67 1.76 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 3i5h s PRO 103 Cb -0.41 -4.09 -0.02 0.00 0.02 0.00 0.00 34.50 30.01 3i5h s PRO 103 CO 0.32 -1.38 0.37 -1.91 -0.33 0.00 0.00 177.00 174.07 3i5h n GLU 104 N 7.80 -0.10 -0.28 5.54 2.13 -1.21 -0.37 120.64 134.15 3i5h n GLU 104 Ca 0.20 0.36 -0.07 0.00 0.66 0.00 0.00 57.16 58.31 3i5h n GLU 104 Cb 0.45 -0.53 -0.07 0.00 0.27 0.00 0.00 31.44 31.56 3i5h n GLU 104 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3i5h n ASP 105 N -4.07 -0.71 -0.20 4.31 8.00 -1.26 -1.18 116.55 121.43 3i5h n ASP 105 Ca 0.00 1.46 -0.06 0.00 0.71 0.00 0.00 54.79 56.90 3i5h n ASP 105 Cb 0.06 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 3i5h n ASP 105 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3i5h h TYR 106 N 0.00 -0.98 -1.01 1.24 -0.00 -1.10 0.22 116.97 115.34 3i5h h TYR 106 Ca 0.11 0.07 0.25 0.00 -0.00 0.00 0.00 58.73 59.16 3i5h h TYR 106 Cb 0.27 0.49 -0.12 0.00 -0.00 0.00 0.00 36.73 37.37 3i5h h TYR 106 CO -0.94 -0.20 0.60 1.25 -0.00 0.00 0.00 178.16 178.87 3i5h h LEU 107 N -0.02 0.65 0.00 2.82 5.85 -1.09 0.89 115.31 124.40 3i5h h LEU 107 Ca 0.08 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3i5h h LEU 107 Cb 0.22 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3i5h h LEU 107 CO -0.47 0.09 0.00 1.17 -0.34 0.00 0.00 178.44 178.88 3i5h n LYS 108 N -4.88 0.00 0.04 1.25 4.81 0.68 0.90 118.16 120.97 3i5h n LYS 108 Ca 0.27 0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.73 3i5h n LYS 108 Cb 0.77 -1.00 0.05 0.00 0.02 0.00 0.00 35.03 34.87 3i5h n LYS 108 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3i5h n ASP 109 N -0.51 0.04 -0.05 3.14 2.03 -0.65 0.13 116.55 120.68 3i5h n ASP 109 Ca 0.00 0.21 -0.03 0.00 0.52 0.00 0.00 54.79 55.49 3i5h n ASP 109 Cb 0.00 -0.17 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 3i5h n ASP 109 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3i5h n LEU 110 N -1.34 0.17 -0.10 -2.67 7.94 0.30 -3.20 117.00 118.10 3i5h n LEU 110 Ca -0.00 0.07 -0.14 0.00 -1.11 0.00 0.00 56.01 54.83 3i5h n LEU 110 Cb 0.40 0.29 -0.09 0.00 0.53 0.00 0.00 43.42 44.55 3i5h n LEU 110 CO 0.01 0.31 -1.15 0.18 -1.11 0.00 0.00 177.39 175.63 3i5h n LEU 111 N -2.65 2.87 -0.08 -1.96 4.77 0.34 -4.04 117.00 116.24 3i5h n LEU 111 Ca -0.21 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3i5h n LEU 111 Cb 0.95 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3i5h n LEU 111 CO 0.44 0.80 0.62 -0.08 -1.33 0.00 0.00 177.39 177.84 3i5h h GLU 112 N -0.06 0.53 0.00 3.23 4.81 0.45 -0.77 114.58 122.78 3i5h h GLU 112 Ca -0.45 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.49 3i5h h GLU 112 Cb 1.66 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.97 3i5h h GLU 112 CO -0.09 0.83 -0.46 0.27 -0.73 0.00 0.00 179.01 178.84 3i5h n ASN 113 N -4.43 1.10 -4.01 1.04 0.23 -1.24 -3.95 115.26 104.00 3i5h n ASN 113 Ca -0.04 -2.58 -0.20 0.00 -0.53 0.00 0.00 54.58 51.23 3i5h n ASN 113 Cb 0.39 -0.33 -0.15 0.00 -2.08 0.00 0.00 39.78 37.61 3i5h n ASN 113 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3i5h s MET 114 N -1.28 0.91 2.76 -3.83 -1.94 -1.19 -4.95 119.30 109.77 3i5h s MET 114 Ca 0.21 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.88 3i5h s MET 114 Cb 0.21 -0.85 0.00 0.00 2.01 0.00 0.00 34.83 36.19 3i5h s MET 114 CO -0.03 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.52 3i5h n GLY 115 N 3.18 0.17 3.23 -0.03 0.00 -1.26 -4.07 105.19 106.41 3i5h n GLY 115 Ca -0.17 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 3i5h n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5h n ASP 116 N -1.97 0.46 0.00 1.61 8.00 -1.26 -4.84 116.55 118.55 3i5h n ASP 116 Ca 0.00 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.28 3i5h n ASP 116 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3i5h n ASP 116 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i5h n ASN 117 N 6.83 0.00 -4.84 -2.24 3.02 -1.26 -4.98 115.26 111.80 3i5h n ASN 117 Ca 0.22 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.49 3i5h n ASN 117 Cb 0.19 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 3i5h n ASN 117 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i5h s PHE 118 N 0.00 3.28 0.43 3.10 0.40 -0.29 -5.01 117.98 119.89 3i5h s PHE 118 Ca 0.00 0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 3i5h s PHE 118 Cb 0.00 -1.61 -0.07 0.00 0.51 0.00 0.00 43.02 41.86 3i5h s PHE 118 CO 0.00 0.53 0.81 -1.12 0.70 0.00 0.00 175.22 176.14 3i5h s SER 119 N -2.86 6.54 0.36 1.36 0.01 -1.26 -4.71 113.70 113.14 3i5h s SER 119 Ca 0.32 1.21 0.24 0.00 1.31 0.00 0.00 55.95 59.04 3i5h s SER 119 Cb -0.11 -2.36 1.31 0.00 0.21 0.00 0.00 66.02 65.07 3i5h s SER 119 CO 0.25 -0.44 1.74 0.11 0.41 0.00 0.00 173.24 175.31 3i5h h LYS 120 N 1.19 0.00 0.16 12.44 1.57 -1.99 0.56 116.57 130.49 3i5h h LYS 120 Ca -0.47 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.97 3i5h h LYS 120 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3i5h h LYS 120 CO 0.63 0.00 -1.76 0.93 -0.57 0.00 0.00 179.45 178.68 3i5h h GLU 121 N 0.00 0.33 -0.19 3.15 5.08 -2.00 -3.01 114.58 117.94 3i5h h GLU 121 Ca 0.00 -0.57 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 3i5h h GLU 121 Cb 0.01 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3i5h h GLU 121 CO 0.00 1.27 -0.07 0.93 -1.00 0.00 0.00 179.01 180.14 3i5h h GLU 122 N 0.02 0.29 0.75 2.33 5.08 -0.59 -2.55 114.58 119.91 3i5h h GLU 122 Ca -0.36 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 3i5h h GLU 122 Cb 2.02 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 31.23 3i5h h GLU 122 CO 0.13 0.38 -0.36 0.82 -1.00 0.00 0.00 179.01 178.98 3i5h h ILE 123 N 0.28 0.00 -0.35 3.13 2.04 -0.21 -2.95 117.51 119.46 3i5h h ILE 123 Ca 0.06 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3i5h h ILE 123 Cb 0.31 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 3i5h h ILE 123 CO 0.01 0.00 -0.28 0.50 0.00 0.00 0.00 178.15 178.38 3i5h h LYS 124 N -1.13 -0.23 -1.43 2.37 1.63 -1.41 0.46 116.57 116.83 3i5h h LYS 124 Ca -0.10 0.02 0.45 0.00 -0.85 0.00 0.00 60.65 60.16 3i5h h LYS 124 Cb 0.78 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 32.35 3i5h h LYS 124 CO 0.17 -0.15 0.96 -0.91 -3.45 0.00 0.00 179.45 176.06 3i5h h ASN 125 N -0.24 0.18 0.01 4.20 2.35 -1.48 0.87 115.58 121.47 3i5h h ASN 125 Ca 0.17 0.10 -0.23 0.00 -0.55 0.00 0.00 56.30 55.78 3i5h h ASN 125 Cb 0.50 0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.98 3i5h h ASN 125 CO -0.48 -0.12 -0.92 0.58 -1.65 0.00 0.00 177.43 174.84 3i5h h VAL 126 N 0.07 1.33 0.00 2.81 2.07 0.07 -3.33 116.25 119.27 3i5h h VAL 126 Ca 0.81 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 3i5h h VAL 126 Cb 2.74 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 34.99 3i5h h VAL 126 CO -0.30 0.67 -0.09 -0.50 0.02 0.00 0.00 177.57 177.37 3i5h h TRP 127 N 0.23 0.00 0.95 1.57 4.06 0.14 -2.81 115.95 120.09 3i5h h TRP 127 Ca -0.12 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.79 3i5h h TRP 127 Cb 1.59 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.76 3i5h h TRP 127 CO 0.12 0.09 -0.49 0.87 -3.56 0.00 0.00 178.44 175.47 3i5h h LYS 128 N 0.00 -1.27 -0.02 0.49 1.57 -1.49 -3.30 116.57 112.55 3i5h h LYS 128 Ca -0.00 0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3i5h h LYS 128 Cb 0.60 0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3i5h h LYS 128 CO 0.01 -0.84 -0.16 0.38 -0.57 0.00 0.00 179.45 178.27 3i5h h ASP 129 N -1.31 0.18 0.00 0.86 2.03 -1.77 -3.49 116.42 112.92 3i5h h ASP 129 Ca -0.13 -0.69 0.00 0.00 -0.73 0.00 0.00 57.03 55.48 3i5h h ASP 129 Cb 1.02 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 3i5h h ASP 129 CO 0.19 0.84 0.00 0.00 -1.03 0.00 0.00 179.24 179.24 3i5h n ALA 130 N -2.48 -0.02 -2.80 4.15 0.00 -1.06 -4.81 120.51 113.49 3i5h n ALA 130 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3i5h n ALA 130 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3i5h n ALA 130 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5h s PRO 131 N 0.00 3.29 0.12 0.00 0.04 -1.26 -4.99 135.00 132.19 3i5h s PRO 131 Ca 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.04 3i5h s PRO 131 Cb 0.00 -4.51 -0.00 0.00 0.04 0.00 0.00 34.50 30.03 3i5h s PRO 131 CO 0.00 -1.89 0.01 1.28 0.04 0.00 0.00 177.00 176.43 3i5h n LEU 132 N 7.78 0.00 0.00 -3.56 4.77 -1.26 -2.27 117.00 122.46 3i5h n LEU 132 Ca 0.08 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3i5h n LEU 132 Cb 0.47 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3i5h n LEU 132 CO 0.62 -0.11 0.00 1.17 -1.33 0.00 0.00 177.39 177.74 3i5h n LYS 133 N -0.28 0.00 -3.26 3.23 4.81 -1.16 -4.95 118.16 116.55 3i5h n LYS 133 Ca -0.04 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.20 3i5h n LYS 133 Cb 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.18 3i5h n LYS 133 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i5h n ASN 134 N 0.00 -2.62 -4.38 3.14 5.03 -1.26 0.19 115.26 115.36 3i5h n ASN 134 Ca 0.00 -0.25 -0.40 0.00 0.87 0.00 0.00 54.58 54.80 3i5h n ASN 134 Cb 0.00 -2.24 -0.06 0.00 -1.02 0.00 0.00 39.78 36.46 3i5h n ASN 134 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i5h n LYS 135 N -3.36 -1.79 -4.44 3.52 4.76 -1.26 -4.91 118.16 110.69 3i5h n LYS 135 Ca 0.00 0.24 -0.22 0.00 -2.87 0.00 0.00 58.31 55.46 3i5h n LYS 135 Cb 0.52 -4.89 -0.10 0.00 -1.84 0.00 0.00 35.03 28.72 3i5h n LYS 135 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3i5h s GLN 136 N -7.08 1.58 0.36 1.97 0.74 0.50 -3.30 119.66 114.43 3i5h s GLN 136 Ca 0.79 -1.80 0.07 0.00 0.05 0.00 0.00 55.36 54.47 3i5h s GLN 136 Cb -0.45 -1.21 -0.02 0.00 1.10 0.00 0.00 33.01 32.43 3i5h s GLN 136 CO 0.97 0.05 0.36 0.12 -0.55 0.00 0.00 175.29 176.24 3i5h s PHE 137 N -2.97 2.90 -0.22 1.67 5.36 0.27 -2.99 117.98 122.00 3i5h s PHE 137 Ca 0.30 -0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 55.92 3i5h s PHE 137 Cb 0.04 -1.95 0.07 0.00 -0.34 0.00 0.00 43.02 40.83 3i5h s PHE 137 CO 0.12 0.04 0.03 1.21 -1.46 0.00 0.00 175.22 175.17 3i5h s ASN 138 N -4.08 3.22 -0.13 6.13 3.84 -0.96 -3.86 114.94 119.09 3i5h s ASN 138 Ca 0.44 -0.99 -0.25 0.00 0.21 0.00 0.00 52.86 52.27 3i5h s ASN 138 Cb -0.06 -0.72 -0.26 0.00 -0.55 0.00 0.00 41.25 39.65 3i5h s ASN 138 CO 0.28 -0.31 0.70 0.10 -2.79 0.00 0.00 177.10 175.08 3i5h h TYR 139 N 8.18 0.14 -0.04 0.43 -0.00 -1.90 -3.03 116.97 120.76 3i5h h TYR 139 Ca -0.16 -0.10 0.01 0.00 0.00 0.00 0.00 58.73 58.48 3i5h h TYR 139 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 37.82 3i5h h TYR 139 CO 0.33 1.18 0.06 -0.91 -0.00 0.00 0.00 178.16 178.82 3i5h h ASN 140 N -0.82 0.00 0.75 0.10 2.35 -1.97 1.03 115.58 117.03 3i5h h ASN 140 Ca -0.10 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.39 3i5h h ASN 140 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 3i5h h ASN 140 CO 0.00 0.00 -1.24 0.11 -1.65 0.00 0.00 177.43 174.65 3i5h h LYS 141 N 0.00 0.10 -0.03 0.81 1.57 -1.99 -2.49 116.57 114.54 3i5h h LYS 141 Ca 0.02 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3i5h h LYS 141 Cb 0.14 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.52 3i5h h LYS 141 CO -0.00 1.00 -0.30 1.98 -0.57 0.00 0.00 179.45 181.56 3i5h h MET 142 N 0.03 0.26 -0.84 3.15 4.05 -0.15 -2.18 114.93 119.24 3i5h h MET 142 Ca -0.12 -0.24 0.11 0.00 -0.28 0.00 0.00 59.70 59.18 3i5h h MET 142 Cb 1.89 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 32.67 3i5h h MET 142 CO 0.14 0.91 0.47 0.28 0.23 0.00 0.00 176.91 178.95 3i5h h VAL 143 N -0.31 0.86 -0.25 -5.77 2.07 0.77 0.26 116.25 113.88 3i5h h VAL 143 Ca -0.03 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3i5h h VAL 143 Cb 0.99 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 3i5h h VAL 143 CO 0.06 0.14 -0.38 0.44 0.02 0.00 0.00 177.57 177.84 3i5h h ASP 144 N 0.76 -1.23 -0.20 0.57 3.32 -1.20 -1.79 116.42 116.64 3i5h h ASP 144 Ca 0.42 0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.68 3i5h h ASP 144 Cb 0.44 0.53 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 3i5h h ASP 144 CO -0.28 -0.38 -0.43 0.40 -1.72 0.00 0.00 179.24 176.84 3i5h h ILE 145 N -0.39 0.00 -0.08 0.35 2.04 -0.33 0.97 117.51 120.07 3i5h h ILE 145 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3i5h h ILE 145 Cb 0.58 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3i5h h ILE 145 CO -0.46 0.00 -0.05 0.29 0.00 0.00 0.00 178.15 177.94 3i5h n LYS 146 N -4.77 -0.03 0.00 2.37 4.76 -0.68 -1.32 118.16 118.50 3i5h n LYS 146 Ca -0.04 0.18 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 3i5h n LYS 146 Cb 0.28 -0.26 -0.00 0.00 -1.84 0.00 0.00 35.03 33.20 3i5h n LYS 146 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3i5h h GLY 147 N 0.00 -0.05 0.00 0.72 0.00 -1.48 -3.51 103.07 98.75 3i5h h GLY 147 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3i5h h GLY 147 CO -0.07 -0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.73 3i5h n LYS 148 N -2.82 0.00 -0.22 4.80 5.02 0.32 -5.02 118.16 120.24 3i5h n LYS 148 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3i5h n LYS 148 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 3i5h n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5h n ALA 149 N 1.76 1.43 0.00 7.82 0.00 -1.26 -5.05 120.51 125.21 3i5h n ALA 149 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3i5h n ALA 149 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3i5h n ALA 149 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i5h n GLU 150 N 0.00 0.00 0.00 0.00 4.07 -1.26 -5.16 120.64 118.29 3i5h n GLU 150 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 3i5h n GLU 150 Cb 0.54 0.00 0.24 0.00 -0.06 0.00 0.00 31.44 32.15 3i5h n GLU 150 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82