#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5i h VAL 8 N 0.00 0.00 0.00 1.55 -1.51 -2.01 -0.14 116.25 114.14 3i5i h VAL 8 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3i5i h VAL 8 Cb 0.00 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 3i5i h VAL 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 3i5i n LYS 9 N -2.32 0.00 -3.13 5.19 4.01 -1.26 -2.84 118.16 117.82 3i5i n LYS 9 Ca -0.01 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.34 3i5i n LYS 9 Cb 0.58 -0.83 -0.01 0.00 -0.51 0.00 0.00 35.03 34.26 3i5i n LYS 9 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3i5i s LEU 10 N -0.05 5.73 0.00 -0.35 2.96 -0.07 -4.95 118.68 121.95 3i5i s LEU 10 Ca 0.00 -2.95 0.00 0.00 -0.22 0.00 0.00 54.13 50.96 3i5i s LEU 10 Cb 0.00 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.38 3i5i s LEU 10 CO 0.00 -0.64 0.00 -1.54 -1.32 0.00 0.00 176.35 172.85 3i5i n SER 11 N 4.65 0.00 0.05 3.68 3.41 -1.13 -4.70 113.62 119.57 3i5i n SER 11 Ca 0.27 -0.49 -0.12 0.00 -0.26 0.00 0.00 58.87 58.26 3i5i n SER 11 Cb 0.44 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 3i5i n SER 11 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3i5i h GLN 12 N 0.00 -0.16 -0.76 4.33 4.15 -1.93 1.16 115.11 121.90 3i5i h GLN 12 Ca 0.00 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.56 3i5i h GLN 12 Cb 0.00 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 3i5i h GLN 12 CO 0.00 0.27 0.50 0.00 -1.93 0.00 0.00 178.83 177.68 3i5i h ARG 13 N -0.68 0.53 0.05 1.69 -0.00 -1.99 0.68 114.38 114.66 3i5i h ARG 13 Ca -0.02 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.98 59.20 3i5i h ARG 13 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.35 3i5i h ARG 13 CO 0.03 0.35 -1.03 1.96 0.00 0.00 0.00 179.97 181.28 3i5i h GLN 14 N 0.55 0.22 0.00 0.04 4.20 -1.90 -3.04 115.11 115.17 3i5i h GLN 14 Ca 0.37 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3i5i h GLN 14 Cb 0.67 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3i5i h GLN 14 CO -0.13 1.07 -0.39 -1.33 -0.67 0.00 0.00 178.83 177.37 3i5i n MET 15 N -3.58 0.00 -0.09 1.46 2.81 0.40 -3.12 117.12 115.00 3i5i n MET 15 Ca -0.05 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.74 3i5i n MET 15 Cb 0.91 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.79 3i5i n MET 15 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3i5i n GLN 16 N -1.51 1.04 0.26 0.03 -0.06 0.19 -3.42 117.38 113.91 3i5i n GLN 16 Ca 0.06 0.03 0.09 0.00 -2.00 0.00 0.00 57.00 55.17 3i5i n GLN 16 Cb 0.34 -1.44 0.66 0.00 -4.06 0.00 0.00 30.24 25.74 3i5i n GLN 16 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3i5i h GLU 17 N 0.00 0.00 0.00 3.69 4.81 -1.66 0.77 114.58 122.19 3i5i h GLU 17 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3i5i h GLU 17 Cb 1.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.36 3i5i h GLU 17 CO -0.00 0.07 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.00 3i5i h LEU 18 N 0.00 0.00 0.04 1.64 3.38 -1.67 -3.15 115.31 115.55 3i5i h LEU 18 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i5i h LEU 18 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i5i h LEU 18 CO 0.01 0.04 -0.02 0.50 0.09 0.00 0.00 178.44 179.06 3i5i h LYS 19 N 0.00 -0.05 -0.66 1.13 1.63 0.50 -2.68 116.57 116.44 3i5i h LYS 19 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3i5i h LYS 19 Cb 0.77 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.38 3i5i h LYS 19 CO 0.00 0.59 0.35 0.93 -3.45 0.00 0.00 179.45 177.87 3i5i h GLU 20 N -0.78 0.91 0.47 1.90 5.08 -1.46 -1.57 114.58 119.14 3i5i h GLU 20 Ca -0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3i5i h GLU 20 Cb 0.66 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3i5i h GLU 20 CO 0.01 0.68 -0.48 0.00 -1.00 0.00 0.00 179.01 178.21 3i5i h ALA 21 N 1.47 -1.08 0.00 3.43 0.00 -1.58 -1.61 119.26 119.90 3i5i h ALA 21 Ca 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3i5i h ALA 21 Cb 0.04 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3i5i h ALA 21 CO -0.04 -1.15 -0.25 0.35 0.00 0.00 0.00 179.25 178.17 3i5i h PHE 22 N -0.96 0.00 0.00 0.00 3.04 -1.38 -2.73 116.94 114.91 3i5i h PHE 22 Ca -0.05 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 3i5i h PHE 22 Cb 0.84 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.35 3i5i h PHE 22 CO -0.25 0.25 -0.03 1.15 -2.02 0.00 0.00 178.31 177.41 3i5i h THR 23 N 0.00 0.06 0.00 4.41 2.02 -0.85 -3.22 112.91 115.33 3i5i h THR 23 Ca -0.00 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3i5i h THR 23 Cb 0.45 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3i5i h THR 23 CO 0.03 0.03 -0.31 0.24 0.37 0.00 0.00 175.52 175.88 3i5i h MET 24 N 0.00 0.00 0.00 6.66 2.86 -0.98 -3.15 114.93 120.32 3i5i h MET 24 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i5i h MET 24 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3i5i h MET 24 CO 0.00 0.54 0.38 -0.89 1.06 0.00 0.00 176.91 178.00 3i5i n ILE 25 N -4.63 0.49 -1.15 -1.22 5.41 -1.19 -4.27 119.36 112.79 3i5i n ILE 25 Ca -0.10 0.51 -0.30 0.00 1.00 0.00 0.00 62.75 63.85 3i5i n ILE 25 Cb 0.33 -1.51 0.25 0.00 -0.71 0.00 0.00 39.64 38.00 3i5i n ILE 25 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3i5i s ASP 26 N -2.28 0.73 0.00 4.38 1.01 -1.19 -4.16 116.67 115.16 3i5i s ASP 26 Ca -0.00 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.71 3i5i s ASP 26 Cb 0.00 -0.56 0.00 0.00 1.01 0.00 0.00 42.92 43.37 3i5i s ASP 26 CO 0.00 -4.22 0.00 1.67 0.21 0.00 0.00 175.17 172.83 3i5i n GLN 27 N -4.80 0.00 -4.40 8.23 -0.06 -1.26 -4.96 117.38 110.13 3i5i n GLN 27 Ca 0.16 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.90 3i5i n GLN 27 Cb 0.60 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.67 3i5i n GLN 27 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3i5i s ASP 28 N 0.00 3.71 -1.08 1.69 1.01 -1.26 -4.90 116.67 115.83 3i5i s ASP 28 Ca 0.00 -0.84 -0.25 0.00 0.71 0.00 0.00 52.55 52.17 3i5i s ASP 28 Cb 0.00 -0.40 -0.17 0.00 1.01 0.00 0.00 42.92 43.36 3i5i s ASP 28 CO 0.00 0.09 2.01 -2.11 0.21 0.00 0.00 175.17 175.37 3i5i n ARG 29 N -0.08 0.82 -2.54 8.23 1.85 -1.26 -4.06 116.66 119.62 3i5i n ARG 29 Ca -0.10 -2.03 0.00 0.00 -1.00 0.00 0.00 57.85 54.72 3i5i n ARG 29 Cb 0.57 -3.76 0.00 0.00 -1.05 0.00 0.00 32.46 28.22 3i5i n ARG 29 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i5i n ASP 30 N 16.66 0.00 -1.16 2.89 9.92 -1.26 -1.04 116.55 142.56 3i5i n ASP 30 Ca 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 3i5i n ASP 30 Cb 0.46 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 3i5i n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i5i n GLY 31 N -0.82 0.72 2.74 0.44 0.00 -1.26 -5.09 105.19 101.92 3i5i n GLY 31 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 3i5i n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5i s PHE 32 N -2.78 -0.35 -0.63 1.61 0.40 -0.21 -4.18 117.98 111.85 3i5i s PHE 32 Ca 0.00 -0.14 -0.31 0.00 -0.60 0.00 0.00 56.93 55.88 3i5i s PHE 32 Cb 0.00 -0.48 -0.14 0.00 0.51 0.00 0.00 43.02 42.91 3i5i s PHE 32 CO 0.00 -0.84 2.44 -0.89 0.70 0.00 0.00 175.22 176.63 3i5i n ILE 33 N 5.31 0.02 -3.64 0.64 2.08 -0.99 -4.68 119.36 118.10 3i5i n ILE 33 Ca -0.03 -0.34 -0.22 0.00 0.56 0.00 0.00 62.75 62.72 3i5i n ILE 33 Cb 0.47 -1.59 -0.01 0.00 -0.75 0.00 0.00 39.64 37.75 3i5i n ILE 33 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3i5i s GLY 34 N 9.48 1.31 0.23 7.39 0.00 -1.26 -4.75 107.32 119.72 3i5i s GLY 34 Ca 1.15 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.71 3i5i s GLY 34 CO 0.42 -1.07 1.75 -0.33 0.00 0.00 0.00 173.10 173.87 3i5i h MET 35 N 0.94 0.47 0.13 2.90 2.86 -1.96 2.44 114.93 122.71 3i5i h MET 35 Ca -0.50 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 3i5i h MET 35 Cb 1.23 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3i5i h MET 35 CO 0.60 0.31 -0.06 0.93 1.06 0.00 0.00 176.91 179.75 3i5i h GLU 36 N 0.49 -0.17 -1.02 1.72 5.08 -1.95 0.64 114.58 119.36 3i5i h GLU 36 Ca 0.37 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 59.03 3i5i h GLU 36 Cb 0.50 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3i5i h GLU 36 CO -0.34 0.29 0.72 -0.44 -1.00 0.00 0.00 179.01 178.23 3i5i h ASP 37 N -0.76 0.09 0.18 1.42 3.32 -1.53 0.73 116.42 119.86 3i5i h ASP 37 Ca -0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3i5i h ASP 37 Cb 0.54 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3i5i h ASP 37 CO 0.03 0.02 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.42 3i5i h LEU 38 N 0.08 -0.20 -1.82 1.55 3.38 0.45 -2.87 115.31 115.89 3i5i h LEU 38 Ca 0.50 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.30 3i5i h LEU 38 Cb 1.84 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 3i5i h LEU 38 CO -0.06 0.34 0.19 0.11 0.09 0.00 0.00 178.44 179.11 3i5i h LYS 39 N -1.00 0.23 0.00 1.13 1.57 0.14 0.62 116.57 119.26 3i5i h LYS 39 Ca -0.02 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3i5i h LYS 39 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3i5i h LYS 39 CO 0.04 0.15 -0.35 -0.44 -0.57 0.00 0.00 179.45 178.29 3i5i h ASP 40 N 0.24 0.00 0.00 0.86 5.19 0.34 -3.07 116.42 119.97 3i5i h ASP 40 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3i5i h ASP 40 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3i5i h ASP 40 CO -0.02 0.35 -0.18 -0.03 -3.12 0.00 0.00 179.24 176.24 3i5i h MET 41 N 0.00 0.00 0.00 3.56 4.05 -0.72 -3.23 114.93 118.59 3i5i h MET 41 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3i5i h MET 41 Cb 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 3i5i h MET 41 CO 0.05 0.00 0.13 1.19 0.23 0.00 0.00 176.91 178.51 3i5i n PHE 42 N -4.41 0.00 -0.06 1.39 3.72 -0.16 0.74 117.46 118.68 3i5i n PHE 42 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 3i5i n PHE 42 Cb 0.09 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 3i5i n PHE 42 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3i5i h SER 43 N 0.00 0.00 0.30 4.37 0.87 -1.62 -2.26 113.55 115.21 3i5i h SER 43 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3i5i h SER 43 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3i5i h SER 43 CO 0.00 0.69 0.00 -1.20 -0.53 0.00 0.00 176.83 175.79 3i5i n SER 44 N -4.68 0.00 0.07 6.23 7.64 0.23 -0.26 113.62 122.85 3i5i n SER 44 Ca -0.05 0.26 -0.22 0.00 1.01 0.00 0.00 58.87 59.87 3i5i n SER 44 Cb 0.18 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 62.86 3i5i n SER 44 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i5i h LEU 45 N 0.00 0.57 -2.65 -3.43 3.38 -0.15 -3.50 115.31 109.53 3i5i h LEU 45 Ca 0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3i5i h LEU 45 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i5i h LEU 45 CO 0.00 1.71 0.00 0.61 0.09 0.00 0.00 178.44 180.85 3i5i n GLY 46 N 1.82 -0.22 2.00 0.83 0.00 0.64 -5.05 105.19 105.21 3i5i n GLY 46 Ca -0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3i5i n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5i n ARG 47 N -0.81 0.00 0.00 1.61 5.12 -1.06 -5.04 116.66 116.47 3i5i n ARG 47 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i5i n ARG 47 Cb 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 3i5i n ARG 47 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i5i n VAL 48 N -2.57 0.00 -3.52 1.55 0.31 -1.26 -5.14 118.33 107.70 3i5i n VAL 48 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3i5i n VAL 48 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 3i5i n VAL 48 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i5i s PRO 49 N -0.83 2.70 -0.27 5.55 0.05 -1.26 -5.08 135.00 135.85 3i5i s PRO 49 Ca 0.00 -1.51 -0.12 0.00 0.05 0.00 0.00 61.00 59.42 3i5i s PRO 49 Cb 0.00 -3.93 -0.05 0.00 0.05 0.00 0.00 34.50 30.57 3i5i s PRO 49 CO 0.00 -1.04 0.25 -2.14 0.05 0.00 0.00 177.00 174.11 3i5i s PRO 50 N 1.48 3.99 0.00 0.56 0.02 -1.26 -5.00 135.00 134.78 3i5i s PRO 50 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 61.00 60.86 3i5i s PRO 50 Cb -0.24 -3.64 0.00 0.00 0.02 0.00 0.00 34.50 30.63 3i5i s PRO 50 CO 0.03 -0.18 0.57 -0.25 -0.33 0.00 0.00 177.00 176.83 3i5i n ASP 51 N 5.05 0.00 -0.17 2.53 8.00 -1.26 0.12 116.55 130.82 3i5i n ASP 51 Ca -0.12 0.57 -0.02 0.00 0.71 0.00 0.00 54.79 55.92 3i5i n ASP 51 Cb 0.52 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 3i5i n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3i5i n ASP 52 N -1.04 -0.35 0.00 -2.24 -0.08 -1.26 -0.38 116.55 111.20 3i5i n ASP 52 Ca 0.00 0.75 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 3i5i n ASP 52 Cb 0.00 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.32 3i5i n ASP 52 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3i5i n GLU 53 N -4.59 0.00 -0.33 -0.67 1.02 -0.99 -0.50 120.64 114.59 3i5i n GLU 53 Ca 0.03 0.29 0.27 0.00 -0.02 0.00 0.00 57.16 57.73 3i5i n GLU 53 Cb 0.14 -1.17 0.43 0.00 -0.02 0.00 0.00 31.44 30.83 3i5i n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3i5i n LEU 54 N -1.17 0.09 0.05 -4.62 7.94 0.33 0.60 117.00 120.22 3i5i n LEU 54 Ca 0.00 0.76 -0.18 0.00 -1.11 0.00 0.00 56.01 55.49 3i5i n LEU 54 Cb 0.00 -0.38 -0.08 0.00 0.53 0.00 0.00 43.42 43.49 3i5i n LEU 54 CO 0.00 -0.81 0.12 -1.13 -1.11 0.00 0.00 177.39 174.45 3i5i h ASN 55 N 0.00 0.77 -0.35 1.96 -0.00 -0.14 -3.16 115.58 114.66 3i5i h ASN 55 Ca 0.54 -0.62 0.10 0.00 -0.00 0.00 0.00 56.30 56.33 3i5i h ASN 55 Cb 1.87 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 39.94 3i5i h ASN 55 CO -0.20 1.42 0.31 0.00 -0.00 0.00 0.00 177.43 178.96 3i5i h ALA 56 N 0.53 2.15 0.00 1.57 0.00 1.96 0.85 119.26 126.32 3i5i h ALA 56 Ca -0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3i5i h ALA 56 Cb 1.65 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3i5i h ALA 56 CO 0.19 -0.49 -0.57 0.52 0.00 0.00 0.00 179.25 178.89 3i5i h MET 57 N 0.00 0.00 0.59 0.00 2.86 -1.38 -3.23 114.93 113.77 3i5i h MET 57 Ca 0.17 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3i5i h MET 57 Cb 0.79 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.45 3i5i h MET 57 CO -0.00 0.57 -0.28 -0.07 1.06 0.00 0.00 176.91 178.19 3i5i h LEU 58 N 0.00 -0.67 -0.82 1.22 3.38 0.62 -3.24 115.31 115.80 3i5i h LEU 58 Ca -0.01 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.26 3i5i h LEU 58 Cb 1.02 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 3i5i h LEU 58 CO 0.07 -0.27 0.55 2.29 0.09 0.00 0.00 178.44 181.17 3i5i n LYS 59 N -5.30 -0.01 -0.11 1.13 2.85 -0.92 0.47 118.16 116.27 3i5i n LYS 59 Ca -0.10 0.64 -0.05 0.00 -1.05 0.00 0.00 58.31 57.75 3i5i n LYS 59 Cb 0.31 -1.31 0.01 0.00 -0.65 0.00 0.00 35.03 33.39 3i5i n LYS 59 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3i5i h GLU 60 N 0.00 0.01 -6.44 -1.58 5.08 -1.67 -3.39 114.58 106.59 3i5i h GLU 60 Ca 0.48 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.30 3i5i h GLU 60 Cb 1.65 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 3i5i h GLU 60 CO -0.18 0.01 -0.00 0.00 -1.00 0.00 0.00 179.01 177.84 3i5i h PRO 62 N 3.41 -0.14 0.00 0.00 0.11 -1.84 -3.44 132.00 130.10 3i5i h PRO 62 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i5i h PRO 62 Cb 1.19 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i5i h PRO 62 CO 0.66 -0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 3i5i n GLY 63 N -1.39 1.41 1.83 -0.55 0.00 -1.26 -4.91 105.19 100.32 3i5i n GLY 63 Ca 0.03 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 3i5i n GLY 63 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i5i n GLN 64 N -0.02 -1.28 -2.86 1.61 7.27 -1.26 -4.98 117.38 115.85 3i5i n GLN 64 Ca 0.00 1.33 -0.43 0.00 0.07 0.00 0.00 57.00 57.97 3i5i n GLN 64 Cb 0.00 -2.23 -0.03 0.00 2.41 0.00 0.00 30.24 30.39 3i5i n GLN 64 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3i5i s LEU 65 N -0.27 4.71 0.00 1.69 2.96 -1.26 -4.91 118.68 121.60 3i5i s LEU 65 Ca -0.07 -1.78 0.00 0.00 -0.22 0.00 0.00 54.13 52.06 3i5i s LEU 65 Cb 0.00 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.27 3i5i s LEU 65 CO 0.24 -1.19 0.00 -0.46 -1.32 0.00 0.00 176.35 173.61 3i5i n ASN 66 N 7.10 0.00 0.00 3.68 6.94 -1.26 -2.36 115.26 129.36 3i5i n ASN 66 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 3i5i n ASN 66 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3i5i n ASN 66 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 3i5i n PHE 67 N 0.00 0.00 -0.08 -2.53 7.35 -1.26 -4.40 117.46 116.54 3i5i n PHE 67 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 3i5i n PHE 67 Cb 0.00 0.00 0.37 0.00 0.35 0.00 0.00 39.48 40.20 3i5i n PHE 67 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i5i h THR 68 N 0.00 1.11 0.00 -2.13 2.02 -1.98 0.63 112.91 112.56 3i5i h THR 68 Ca 0.00 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3i5i h THR 68 Cb 0.00 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3i5i h THR 68 CO 0.00 0.13 -0.51 0.00 0.37 0.00 0.00 175.52 175.50 3i5i h ALA 69 N 1.67 0.76 -0.28 6.16 0.00 -1.91 -3.12 119.26 122.54 3i5i h ALA 69 Ca 0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3i5i h ALA 69 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i5i h ALA 69 CO -0.05 0.14 -0.35 0.35 0.00 0.00 0.00 179.25 179.34 3i5i h PHE 70 N 0.00 0.73 0.01 0.00 3.57 -0.08 0.20 116.94 121.38 3i5i h PHE 70 Ca -0.01 -0.20 -0.20 0.00 3.53 0.00 0.00 57.97 61.09 3i5i h PHE 70 Cb 1.09 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3i5i h PHE 70 CO 0.00 0.89 -0.91 -0.07 -2.23 0.00 0.00 178.31 175.99 3i5i h LEU 71 N 0.53 0.12 -0.45 0.59 3.38 -0.97 -2.93 115.31 115.58 3i5i h LEU 71 Ca 0.05 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3i5i h LEU 71 Cb 0.85 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3i5i h LEU 71 CO 0.07 0.97 -0.51 0.74 0.09 0.00 0.00 178.44 179.80 3i5i h THR 72 N 0.04 1.30 -0.48 0.22 2.02 -1.44 -2.93 112.91 111.65 3i5i h THR 72 Ca -0.03 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 3i5i h THR 72 Cb 1.58 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 3i5i h THR 72 CO 0.13 0.55 0.16 0.25 0.37 0.00 0.00 175.52 176.98 3i5i h LEU 73 N 0.56 0.63 -3.30 2.58 5.85 -0.53 -2.32 115.31 118.78 3i5i h LEU 73 Ca 0.02 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 3i5i h LEU 73 Cb 1.07 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3i5i h LEU 73 CO 0.11 0.59 0.07 0.49 -0.34 0.00 0.00 178.44 179.36 3i5i n PHE 74 N -4.33 0.45 -1.32 1.25 3.01 -1.10 -4.37 117.46 111.04 3i5i n PHE 74 Ca 0.04 -1.34 -0.34 0.00 1.01 0.00 0.00 57.45 56.82 3i5i n PHE 74 Cb 0.17 -0.78 0.09 0.00 -0.01 0.00 0.00 39.48 38.96 3i5i n PHE 74 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5i n GLY 75 N 1.31 5.71 0.00 1.37 0.00 -0.88 -3.19 105.19 109.51 3i5i n GLY 75 Ca 0.14 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3i5i n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i5i n GLU 76 N -0.94 4.81 -0.02 1.61 0.28 -1.26 -4.81 120.64 120.31 3i5i n GLU 76 Ca 0.62 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.55 3i5i n GLU 76 Cb 0.78 -0.55 -0.06 0.00 1.43 0.00 0.00 31.44 33.04 3i5i n GLU 76 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3i5i h LYS 77 N 0.00 -0.08 -0.39 3.44 3.64 -1.88 -3.36 116.57 117.94 3i5i h LYS 77 Ca 0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3i5i h LYS 77 Cb 0.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3i5i h LYS 77 CO 0.00 0.35 0.33 0.28 -2.27 0.00 0.00 179.45 178.14 3i5i h VAL 78 N -0.97 0.60 0.00 2.00 2.07 -1.86 -3.27 116.25 114.82 3i5i h VAL 78 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3i5i h VAL 78 Cb 0.48 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3i5i h VAL 78 CO 0.01 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.40 3i5i n SER 79 N -4.10 0.00 0.00 0.57 7.64 -1.26 -4.22 113.62 112.25 3i5i n SER 79 Ca 0.06 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.58 3i5i n SER 79 Cb 0.51 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 3i5i n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5i n GLY 80 N -0.91 0.10 2.37 0.23 0.00 -1.25 -4.69 105.19 101.04 3i5i n GLY 80 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3i5i n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5i n THR 81 N 0.00 0.00 -1.09 2.61 -1.04 -1.23 -4.90 114.28 108.62 3i5i n THR 81 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3i5i n THR 81 Cb 0.00 -1.70 0.10 0.00 -1.82 0.00 0.00 70.33 66.90 3i5i n THR 81 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i5i n ASP 82 N -1.03 -1.06 -4.21 8.00 8.00 -1.26 -4.90 116.55 120.09 3i5i n ASP 82 Ca -0.18 0.51 -0.29 0.00 0.71 0.00 0.00 54.79 55.54 3i5i n ASP 82 Cb 0.59 -1.27 0.21 0.00 -0.02 0.00 0.00 41.12 40.63 3i5i n ASP 82 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3i5i s PRO 83 N -3.27 -0.37 0.00 -0.24 0.05 -1.26 -4.90 135.00 125.00 3i5i s PRO 83 Ca 0.64 0.12 0.00 0.00 0.05 0.00 0.00 61.00 61.82 3i5i s PRO 83 Cb -0.30 -1.68 0.00 0.00 0.05 0.00 0.00 34.50 32.58 3i5i s PRO 83 CO 0.60 -3.19 0.29 -0.85 0.05 0.00 0.00 177.00 173.90 3i5i n GLU 84 N -4.42 0.00 0.32 4.56 0.28 -1.26 -2.71 120.64 117.40 3i5i n GLU 84 Ca 0.10 0.29 -0.18 0.00 -0.16 0.00 0.00 57.16 57.20 3i5i n GLU 84 Cb 0.59 -0.79 -0.09 0.00 1.43 0.00 0.00 31.44 32.57 3i5i n GLU 84 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3i5i h ASP 85 N 0.00 -1.22 -0.58 -1.84 3.32 -2.00 -2.93 116.42 111.16 3i5i h ASP 85 Ca 0.00 0.09 0.19 0.00 0.02 0.00 0.00 57.03 57.33 3i5i h ASP 85 Cb 0.00 0.39 -0.11 0.00 0.22 0.00 0.00 39.33 39.83 3i5i h ASP 85 CO 0.00 -0.65 0.12 0.00 -1.72 0.00 0.00 179.24 176.99 3i5i n ALA 86 N -2.74 0.41 -0.08 3.45 0.00 -1.24 0.29 120.51 120.59 3i5i n ALA 86 Ca -0.12 0.61 -0.07 0.00 0.00 0.00 0.00 53.44 53.86 3i5i n ALA 86 Cb 0.45 -0.51 0.11 0.00 0.00 0.00 0.00 19.45 19.50 3i5i n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i5i h LEU 87 N 0.00 0.76 0.51 0.00 3.38 -1.31 -1.77 115.31 116.87 3i5i h LEU 87 Ca 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3i5i h LEU 87 Cb 0.94 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3i5i h LEU 87 CO -0.51 0.94 -0.24 0.03 0.09 0.00 0.00 178.44 178.74 3i5i h ARG 88 N 0.67 -0.65 -0.48 1.13 3.08 0.41 -1.39 114.38 117.15 3i5i h ARG 88 Ca 0.10 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.29 3i5i h ARG 88 Cb 0.68 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.80 3i5i h ARG 88 CO 0.05 -0.40 0.02 -0.97 -1.07 0.00 0.00 179.97 177.60 3i5i h ASN 89 N -0.76 -0.17 -0.39 7.04 -0.00 -1.34 0.40 115.58 120.36 3i5i h ASN 89 Ca -0.07 0.11 0.05 0.00 -0.00 0.00 0.00 56.30 56.39 3i5i h ASN 89 Cb 0.56 0.19 -0.08 0.00 -0.00 0.00 0.00 38.32 38.98 3i5i h ASN 89 CO 0.11 -0.05 -0.52 0.00 -0.00 0.00 0.00 177.43 176.97 3i5i h ALA 90 N 1.42 -0.69 -0.81 1.57 0.00 -1.06 0.32 119.26 120.00 3i5i h ALA 90 Ca 0.24 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3i5i h ALA 90 Cb 0.36 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 3i5i h ALA 90 CO -0.39 -1.00 0.53 0.74 0.00 0.00 0.00 179.25 179.13 3i5i h PHE 91 N -0.39 1.00 -0.53 0.00 -1.00 -0.28 -2.97 116.94 112.77 3i5i h PHE 91 Ca 0.09 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.94 3i5i h PHE 91 Cb 0.60 -0.33 -0.06 0.00 3.61 0.00 0.00 35.95 39.77 3i5i h PHE 91 CO -0.69 0.60 -0.31 0.43 -1.61 0.00 0.00 178.31 176.72 3i5i n SER 92 N -4.55 -0.56 -0.18 2.17 7.64 0.13 -1.12 113.62 117.14 3i5i n SER 92 Ca 0.09 1.39 0.07 0.00 1.01 0.00 0.00 58.87 61.44 3i5i n SER 92 Cb 0.06 -0.35 0.14 0.00 -1.01 0.00 0.00 64.21 63.05 3i5i n SER 92 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3i5i n MET 93 N -4.18 -0.04 -0.37 1.43 2.81 -0.70 0.19 117.12 116.26 3i5i n MET 93 Ca 0.01 0.79 0.02 0.00 -1.81 0.00 0.00 57.70 56.72 3i5i n MET 93 Cb 0.14 -1.25 0.16 0.00 -0.71 0.00 0.00 33.22 31.56 3i5i n MET 93 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3i5i n PHE 94 N -4.66 0.85 -3.90 2.03 3.01 -0.28 -4.60 117.46 109.91 3i5i n PHE 94 Ca 0.12 -0.31 -0.30 0.00 1.01 0.00 0.00 57.45 57.97 3i5i n PHE 94 Cb 0.38 -0.27 -0.16 0.00 -0.01 0.00 0.00 39.48 39.42 3i5i n PHE 94 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i5i s ASP 95 N -0.30 3.66 -0.19 4.37 2.15 0.50 -4.70 116.67 122.16 3i5i s ASP 95 Ca 0.22 -1.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.07 3i5i s ASP 95 Cb 0.17 -1.07 -0.22 0.00 -0.30 0.00 0.00 42.92 41.50 3i5i s ASP 95 CO 0.06 -0.25 0.09 -0.62 -0.17 0.00 0.00 175.17 174.28 3i5i n GLU 96 N 4.75 0.71 -2.76 4.34 1.02 -1.26 -4.69 120.64 122.73 3i5i n GLU 96 Ca -0.11 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 3i5i n GLU 96 Cb 0.45 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 3i5i n GLU 96 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i5i s ASP 97 N -6.81 6.29 -0.19 1.62 -1.08 -1.26 -4.92 116.67 110.32 3i5i s ASP 97 Ca -0.28 -1.11 -0.10 0.00 -0.52 0.00 0.00 52.55 50.54 3i5i s ASP 97 Cb 0.08 -2.47 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 3i5i s ASP 97 CO 0.69 -1.48 0.61 0.61 0.52 0.00 0.00 175.17 176.13 3i5i n GLY 98 N 5.56 -0.08 0.63 2.66 0.00 -1.26 -4.50 105.19 108.20 3i5i n GLY 98 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3i5i n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5i n GLN 99 N 2.03 -0.06 0.00 1.61 6.02 -1.26 -4.68 117.38 121.04 3i5i n GLN 99 Ca 0.15 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3i5i n GLN 99 Cb -0.00 -0.56 0.00 0.00 1.02 0.00 0.00 30.24 30.70 3i5i n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i5i n GLY 100 N -2.80 2.33 7.00 1.08 0.00 -1.26 -5.00 105.19 106.54 3i5i n GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i5i n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5i n PHE 101 N -0.84 0.00 -3.62 1.61 3.01 -1.25 -4.41 117.46 111.96 3i5i n PHE 101 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 3i5i n PHE 101 Cb 0.00 0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.43 3i5i n PHE 101 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i5i s ILE 102 N 0.00 5.17 -0.49 4.37 1.01 -1.12 -4.77 121.20 125.37 3i5i s ILE 102 Ca 0.00 0.57 -0.27 0.00 0.00 0.00 0.00 60.65 60.95 3i5i s ILE 102 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 3i5i s ILE 102 CO 0.00 0.52 1.90 -2.84 0.00 0.00 0.00 174.94 174.52 3i5i s PRO 103 N -1.26 2.83 0.00 2.79 0.02 -1.26 0.11 135.00 138.22 3i5i s PRO 103 Ca 0.24 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.25 3i5i s PRO 103 Cb -0.15 -4.34 0.00 0.00 0.02 0.00 0.00 34.50 30.03 3i5i s PRO 103 CO 0.12 -2.47 0.00 -1.91 -0.33 0.00 0.00 177.00 172.41 3i5i n GLU 104 N 8.89 0.00 -0.13 5.54 2.13 -1.17 -0.16 120.64 135.73 3i5i n GLU 104 Ca 0.23 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.98 3i5i n GLU 104 Cb 0.50 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.16 3i5i n GLU 104 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3i5i h ASP 105 N 0.00 -1.07 -0.47 4.31 3.32 -1.91 -0.95 116.42 119.65 3i5i h ASP 105 Ca 0.00 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3i5i h ASP 105 Cb 0.00 0.45 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 3i5i h ASP 105 CO 0.00 -0.19 -0.28 0.00 -1.72 0.00 0.00 179.24 177.06 3i5i n TYR 106 N -4.17 -0.21 0.01 4.55 -0.00 0.77 0.16 117.16 118.26 3i5i n TYR 106 Ca -0.01 0.59 0.23 0.00 -0.00 0.00 0.00 57.90 58.71 3i5i n TYR 106 Cb 0.17 -0.51 0.70 0.00 -0.00 0.00 0.00 39.34 39.70 3i5i n TYR 106 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3i5i h LEU 107 N 0.00 0.00 0.04 2.98 6.46 -1.18 0.90 115.31 124.51 3i5i h LEU 107 Ca 0.08 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3i5i h LEU 107 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3i5i h LEU 107 CO -0.44 0.00 -0.02 0.50 -0.62 0.00 0.00 178.44 177.86 3i5i h LYS 108 N 0.00 -0.06 0.00 1.25 3.64 0.28 -0.81 116.57 120.88 3i5i h LYS 108 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3i5i h LYS 108 Cb 1.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3i5i h LYS 108 CO -0.00 0.55 0.00 0.22 -2.27 0.00 0.00 179.45 177.95 3i5i h ASP 109 N -0.92 0.00 0.03 4.20 3.58 0.12 0.22 116.42 123.64 3i5i h ASP 109 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 3i5i h ASP 109 Cb 0.63 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3i5i h ASP 109 CO 0.01 0.00 -0.57 0.25 -2.88 0.00 0.00 179.24 176.05 3i5i h LEU 110 N 0.00 0.11 0.03 2.28 5.85 0.86 -3.12 115.31 121.32 3i5i h LEU 110 Ca 0.00 -0.86 -0.32 0.00 0.84 0.00 0.00 57.88 57.54 3i5i h LEU 110 Cb 0.12 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3i5i h LEU 110 CO 0.00 1.24 -1.83 0.18 -0.34 0.00 0.00 178.44 177.69 3i5i n LEU 111 N -4.42 1.34 -0.00 2.25 4.77 -0.32 -3.62 117.00 116.99 3i5i n LEU 111 Ca -0.17 0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 3i5i n LEU 111 Cb 0.62 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3i5i n LEU 111 CO 0.33 0.53 0.27 -0.08 -1.33 0.00 0.00 177.39 177.11 3i5i h GLU 112 N 0.02 0.51 0.00 3.23 4.81 -0.77 0.69 114.58 123.07 3i5i h GLU 112 Ca -0.34 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.40 3i5i h GLU 112 Cb 2.03 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.53 3i5i h GLU 112 CO 0.08 1.13 -0.24 0.27 -0.73 0.00 0.00 179.01 179.51 3i5i n ASN 113 N -4.16 0.92 -4.03 1.04 0.23 -1.22 -3.68 115.26 104.36 3i5i n ASN 113 Ca -0.09 -2.25 -0.23 0.00 -0.53 0.00 0.00 54.58 51.48 3i5i n ASN 113 Cb 0.68 -0.24 -0.16 0.00 -2.08 0.00 0.00 39.78 37.98 3i5i n ASN 113 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3i5i s MET 114 N -1.02 1.35 2.86 -3.83 -1.94 -1.18 -4.97 119.30 110.57 3i5i s MET 114 Ca 0.10 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 3i5i s MET 114 Cb 0.09 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.74 3i5i s MET 114 CO 0.01 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.52 3i5i n GLY 115 N 3.50 -0.56 2.84 -0.03 0.00 -1.26 -4.22 105.19 105.46 3i5i n GLY 115 Ca -0.20 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 3i5i n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5i n ASP 116 N 0.74 3.85 0.00 1.61 8.00 -1.26 -4.90 116.55 124.58 3i5i n ASP 116 Ca 0.00 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.85 3i5i n ASP 116 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.81 3i5i n ASP 116 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i5i n ASN 117 N 6.18 0.00 -4.95 -2.24 3.02 -1.26 -4.96 115.26 111.06 3i5i n ASN 117 Ca 0.52 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.82 3i5i n ASN 117 Cb 0.34 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 3i5i n ASN 117 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i5i s PHE 118 N 0.00 3.48 0.46 3.10 0.40 0.23 -4.99 117.98 120.66 3i5i s PHE 118 Ca 0.00 0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.37 3i5i s PHE 118 Cb 0.00 -1.73 -0.08 0.00 0.51 0.00 0.00 43.02 41.72 3i5i s PHE 118 CO 0.00 0.40 0.90 -1.12 0.70 0.00 0.00 175.22 176.09 3i5i s SER 119 N -3.51 6.63 0.50 1.36 0.01 -1.26 -4.77 113.70 112.66 3i5i s SER 119 Ca 0.36 1.42 0.34 0.00 1.31 0.00 0.00 55.95 59.38 3i5i s SER 119 Cb -0.10 -2.44 1.75 0.00 0.21 0.00 0.00 66.02 65.43 3i5i s SER 119 CO 0.30 -0.48 2.02 0.11 0.41 0.00 0.00 173.24 175.60 3i5i h LYS 120 N 1.22 0.00 0.13 12.44 1.57 -1.98 0.58 116.57 130.53 3i5i h LYS 120 Ca -0.47 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.01 3i5i h LYS 120 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3i5i h LYS 120 CO 0.62 0.00 -1.44 0.93 -0.57 0.00 0.00 179.45 178.99 3i5i h GLU 121 N 0.00 0.28 -0.01 3.15 5.08 -2.01 -3.21 114.58 117.86 3i5i h GLU 121 Ca 0.00 -0.47 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 3i5i h GLU 121 Cb 0.10 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3i5i h GLU 121 CO 0.00 1.17 -0.76 0.93 -1.00 0.00 0.00 179.01 179.35 3i5i h GLU 122 N 0.08 0.07 0.15 2.33 5.08 -0.46 -2.95 114.58 118.88 3i5i h GLU 122 Ca -0.21 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3i5i h GLU 122 Cb 2.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 3i5i h GLU 122 CO 0.18 0.80 -0.17 0.82 -1.00 0.00 0.00 179.01 179.64 3i5i h ILE 123 N 0.04 0.61 0.02 3.13 2.04 -0.18 -3.10 117.51 120.08 3i5i h ILE 123 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3i5i h ILE 123 Cb 1.34 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3i5i h ILE 123 CO 0.11 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.74 3i5i h LYS 124 N -0.36 -0.03 0.00 2.37 3.64 -1.59 -1.37 116.57 119.22 3i5i h LYS 124 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i5i h LYS 124 Cb 0.36 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3i5i h LYS 124 CO -0.06 0.14 0.79 -0.91 -2.27 0.00 0.00 179.45 177.13 3i5i h ASN 125 N -0.19 0.00 0.00 4.20 2.35 -1.45 0.39 115.58 120.88 3i5i h ASN 125 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.40 3i5i h ASN 125 Cb 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 3i5i h ASN 125 CO 0.01 0.00 -2.30 0.52 -1.65 0.00 0.00 177.43 174.00 3i5i n VAL 126 N -1.95 1.31 -0.15 2.81 0.31 -0.55 -4.61 118.33 115.49 3i5i n VAL 126 Ca -0.00 -0.55 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 3i5i n VAL 126 Cb 0.79 -1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 32.53 3i5i n VAL 126 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3i5i h TRP 127 N 0.00 0.84 -0.13 3.52 4.06 0.17 -2.86 115.95 121.54 3i5i h TRP 127 Ca -0.51 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 60.29 3i5i h TRP 127 Cb 1.85 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.78 3i5i h TRP 127 CO 0.02 0.84 -0.08 1.63 -3.56 0.00 0.00 178.44 177.30 3i5i n LYS 128 N -4.38 -0.06 0.00 0.49 5.02 -1.01 -2.94 118.16 115.28 3i5i n LYS 128 Ca -0.00 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3i5i n LYS 128 Cb 0.31 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 3i5i n LYS 128 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3i5i n ASP 129 N -3.09 0.00 -0.30 4.39 -0.08 -1.24 -5.01 116.55 111.22 3i5i n ASP 129 Ca 0.00 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.70 3i5i n ASP 129 Cb 0.03 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.36 3i5i n ASP 129 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i5i n ALA 130 N -0.92 -1.00 -2.53 -1.67 0.00 -1.08 -4.82 120.51 108.49 3i5i n ALA 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i5i n ALA 130 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 3i5i n ALA 130 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5i s PRO 131 N -0.07 4.41 0.27 0.00 0.05 -1.26 -4.97 135.00 133.42 3i5i s PRO 131 Ca 0.00 1.61 -0.20 0.00 0.05 0.00 0.00 61.00 62.45 3i5i s PRO 131 Cb 0.00 -3.50 0.02 0.00 0.05 0.00 0.00 34.50 31.07 3i5i s PRO 131 CO 0.00 -0.33 0.69 -0.51 0.05 0.00 0.00 177.00 176.89 3i5i s LEU 132 N 1.80 -0.21 0.00 -3.56 1.43 -1.26 -2.96 118.68 113.92 3i5i s LEU 132 Ca 0.54 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3i5i s LEU 132 Cb -0.24 2.61 0.00 0.00 0.03 0.00 0.00 46.19 48.59 3i5i s LEU 132 CO 0.23 -1.31 0.00 0.29 0.23 0.00 0.00 176.35 175.80 3i5i n LYS 133 N -0.45 -2.81 -1.43 1.70 5.02 -1.11 -5.01 118.16 114.08 3i5i n LYS 133 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3i5i n LYS 133 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 3i5i n LYS 133 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i5i n ASN 134 N 0.69 0.00 -3.49 4.39 5.03 -1.26 0.17 115.26 120.79 3i5i n ASN 134 Ca 0.00 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.20 3i5i n ASN 134 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 3i5i n ASN 134 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i5i n LYS 135 N -0.47 -3.20 -3.95 3.52 4.76 -1.26 -4.92 118.16 112.64 3i5i n LYS 135 Ca 0.00 0.42 -0.15 0.00 -2.87 0.00 0.00 58.31 55.71 3i5i n LYS 135 Cb 0.00 -5.11 -0.15 0.00 -1.84 0.00 0.00 35.03 27.93 3i5i n LYS 135 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3i5i s GLN 136 N -6.14 0.19 0.53 1.97 0.74 0.46 -3.04 119.66 114.36 3i5i s GLN 136 Ca 0.45 -0.01 -0.07 0.00 0.05 0.00 0.00 55.36 55.78 3i5i s GLN 136 Cb -0.24 -0.27 -0.03 0.00 1.10 0.00 0.00 33.01 33.57 3i5i s GLN 136 CO 0.55 -0.02 0.86 0.12 -0.55 0.00 0.00 175.29 176.24 3i5i s PHE 137 N 0.35 3.55 -0.22 1.67 5.36 0.29 -2.74 117.98 126.24 3i5i s PHE 137 Ca -0.03 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3i5i s PHE 137 Cb -0.06 -2.45 0.03 0.00 -0.34 0.00 0.00 43.02 40.20 3i5i s PHE 137 CO -0.01 -0.44 -0.13 1.21 -1.46 0.00 0.00 175.22 174.40 3i5i s ASN 138 N -4.15 3.87 -0.17 6.13 3.84 -1.15 -2.81 114.94 120.51 3i5i s ASN 138 Ca 0.50 -0.88 -0.16 0.00 0.21 0.00 0.00 52.86 52.52 3i5i s ASN 138 Cb -0.10 -1.57 -0.22 0.00 -0.55 0.00 0.00 41.25 38.80 3i5i s ASN 138 CO 0.47 -0.09 0.31 0.10 -2.79 0.00 0.00 177.10 175.11 3i5i h TYR 139 N 7.93 0.21 0.00 0.43 -0.00 -1.92 -2.89 116.97 120.72 3i5i h TYR 139 Ca -0.35 -0.15 0.00 0.00 0.00 0.00 0.00 58.73 58.23 3i5i h TYR 139 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.83 3i5i h TYR 139 CO 0.55 1.59 0.00 0.09 -0.00 0.00 0.00 178.16 180.39 3i5i n ASN 140 N -4.07 0.00 0.02 0.10 3.02 -1.26 0.13 115.26 113.21 3i5i n ASN 140 Ca -0.31 0.49 -0.22 0.00 -0.03 0.00 0.00 54.58 54.51 3i5i n ASN 140 Cb 0.82 -0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 39.36 3i5i n ASN 140 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3i5i h LYS 141 N 0.00 0.29 0.03 3.52 3.64 -1.99 -2.93 116.57 119.13 3i5i h LYS 141 Ca 0.00 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.69 3i5i h LYS 141 Cb 0.08 0.19 0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3i5i h LYS 141 CO 0.00 1.24 -0.74 1.98 -2.27 0.00 0.00 179.45 179.66 3i5i h MET 142 N -0.05 0.46 -0.90 1.90 4.05 -0.41 -1.30 114.93 118.68 3i5i h MET 142 Ca -0.37 -0.53 0.16 0.00 -0.28 0.00 0.00 59.70 58.68 3i5i h MET 142 Cb 1.97 0.16 -0.10 0.00 -0.80 0.00 0.00 31.60 32.83 3i5i h MET 142 CO 0.10 1.18 0.49 0.28 0.23 0.00 0.00 176.91 179.18 3i5i h VAL 143 N -0.03 0.73 0.35 -5.77 2.07 0.98 -0.58 116.25 114.00 3i5i h VAL 143 Ca -0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3i5i h VAL 143 Cb 1.46 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3i5i h VAL 143 CO 0.15 0.12 -0.40 0.44 0.02 0.00 0.00 177.57 177.90 3i5i h ASP 144 N 0.68 -1.10 -0.70 0.57 3.32 -1.28 -2.57 116.42 115.33 3i5i h ASP 144 Ca 0.49 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.75 3i5i h ASP 144 Cb 0.71 0.37 -0.12 0.00 0.22 0.00 0.00 39.33 40.50 3i5i h ASP 144 CO -0.36 -0.51 -0.38 0.40 -1.72 0.00 0.00 179.24 176.67 3i5i h ILE 145 N -0.76 0.10 0.00 0.35 2.04 -0.16 -0.62 117.51 118.46 3i5i h ILE 145 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3i5i h ILE 145 Cb 0.67 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3i5i h ILE 145 CO -0.07 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.37 3i5i n LYS 146 N -5.43 0.00 0.00 2.37 4.76 -0.33 -2.23 118.16 117.30 3i5i n LYS 146 Ca 0.05 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 3i5i n LYS 146 Cb 0.36 -0.44 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 3i5i n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i5i n GLY 147 N -0.82 -2.08 0.00 0.72 0.00 -0.98 -5.03 105.19 97.01 3i5i n GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i5i n GLY 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5i n LYS 148 N -0.37 0.00 -0.11 1.61 5.02 -0.28 -5.04 118.16 118.99 3i5i n LYS 148 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 3i5i n LYS 148 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 3i5i n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5i n ALA 149 N 0.00 0.85 0.00 7.82 0.00 -1.25 -5.04 120.51 122.88 3i5i n ALA 149 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3i5i n ALA 149 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3i5i n ALA 149 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i5i n GLU 150 N -4.41 0.00 0.00 0.00 2.13 -1.26 -5.13 120.64 111.97 3i5i n GLU 150 Ca -0.35 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.47 3i5i n GLU 150 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.40 3i5i n GLU 150 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32