#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ire s GLU 3 N 0.00 4.16 -0.20 -2.82 2.12 -1.26 -5.00 118.70 115.70 1ire s GLU 3 Ca 0.00 2.50 -0.04 0.00 0.36 0.00 0.00 54.97 57.78 1ire s GLU 3 Cb 0.00 -3.05 0.08 0.00 0.26 0.00 0.00 34.13 31.42 1ire s GLU 3 CO 0.00 -0.58 0.15 1.21 -0.54 0.00 0.00 175.26 175.50 1ire s ASN 4 N 0.52 2.19 0.22 -1.70 3.84 -1.26 -5.02 114.94 113.73 1ire s ASN 4 Ca 0.63 -0.60 0.18 0.00 0.21 0.00 0.00 52.86 53.28 1ire s ASN 4 Cb -0.46 -0.02 0.88 0.00 -0.55 0.00 0.00 41.25 41.09 1ire s ASN 4 CO 0.45 -0.36 1.54 2.30 -2.79 0.00 0.00 177.10 178.25 1ire n ILE 5 N 5.29 1.15 0.55 -5.21 -5.35 -1.26 -1.93 119.36 112.59 1ire n ILE 5 Ca -0.06 0.53 0.12 0.00 -0.27 0.00 0.00 62.75 63.06 1ire n ILE 5 Cb 0.48 -1.49 0.12 0.00 -1.74 0.00 0.00 39.64 37.01 1ire n ILE 5 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ire n LEU 6 N -2.06 0.67 -4.74 7.28 4.77 -1.26 -4.94 117.00 116.73 1ire n LEU 6 Ca 0.00 0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 1ire n LEU 6 Cb 0.09 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1ire n LEU 6 CO 0.11 -0.03 0.57 -0.60 -1.33 0.00 0.00 177.39 176.11 1ire s ARG 7 N -3.19 4.61 0.97 3.23 3.52 -0.81 -5.06 118.95 122.22 1ire s ARG 7 Ca 0.05 1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.80 1ire s ARG 7 Cb 0.14 -3.36 0.17 0.00 -1.56 0.00 0.00 34.95 30.34 1ire s ARG 7 CO 0.75 0.28 1.09 0.15 -0.81 0.00 0.00 175.30 176.76 1ire s LYS 8 N -0.16 0.63 0.73 5.12 1.02 -1.26 -5.00 119.74 120.83 1ire s LYS 8 Ca 0.42 0.60 -0.12 0.00 0.02 0.00 0.00 55.97 56.89 1ire s LYS 8 Cb -0.22 -1.75 0.04 0.00 -0.52 0.00 0.00 37.83 35.37 1ire s LYS 8 CO 0.27 -2.61 1.10 -1.54 -0.92 0.00 0.00 175.35 171.64 1ire s SER 9 N -3.44 4.73 0.38 2.83 1.04 -1.26 -4.83 113.70 113.15 1ire s SER 9 Ca 0.65 1.88 0.05 0.00 0.48 0.00 0.00 55.95 59.01 1ire s SER 9 Cb -0.18 -2.53 0.75 0.00 0.10 0.00 0.00 66.02 64.15 1ire s SER 9 CO 0.57 -1.88 2.02 0.44 0.98 0.00 0.00 173.24 175.37 1ire h ASP 10 N -0.72 0.61 -0.09 7.02 3.45 -1.99 -0.94 116.42 123.77 1ire h ASP 10 Ca -0.45 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.00 1ire h ASP 10 Cb 1.24 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.85 1ire h ASP 10 CO 0.52 0.43 0.04 -0.08 -1.57 0.00 0.00 179.24 178.58 1ire h GLU 11 N 0.71 0.13 -0.54 3.56 4.81 -1.99 -0.43 114.58 120.83 1ire h GLU 11 Ca 0.21 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1ire h GLU 11 Cb -0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1ire h GLU 11 CO -0.05 0.24 0.03 0.93 -0.73 0.00 0.00 179.01 179.43 1ire h GLU 12 N -0.01 0.89 -0.39 1.92 4.39 -1.81 -1.57 114.58 118.00 1ire h GLU 12 Ca 0.03 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1ire h GLU 12 Cb 0.16 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1ire h GLU 12 CO -0.00 0.87 0.15 0.82 -1.16 0.00 0.00 179.01 179.69 1ire h ILE 13 N 0.83 1.20 -0.64 3.13 2.04 -1.00 -1.54 117.51 121.54 1ire h ILE 13 Ca 0.16 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1ire h ILE 13 Cb 0.45 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1ire h ILE 13 CO 0.02 0.22 0.11 1.56 0.00 0.00 0.00 178.15 180.06 1ire h GLN 14 N 0.49 1.04 -0.62 2.37 1.08 -0.88 -1.17 115.11 117.42 1ire h GLN 14 Ca 0.13 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1ire h GLN 14 Cb 0.20 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1ire h GLN 14 CO -0.01 0.95 0.21 -0.22 -0.95 0.00 0.00 178.83 178.81 1ire h LYS 15 N 0.98 0.96 -0.16 1.46 3.64 -1.08 -0.78 116.57 121.58 1ire h LYS 15 Ca 0.20 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1ire h LYS 15 Cb 0.41 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1ire h LYS 15 CO 0.01 0.84 -0.04 1.49 -2.27 0.00 0.00 179.45 179.48 1ire h GLU 16 N 0.88 0.32 -0.49 1.90 4.57 -1.04 -2.75 114.58 117.97 1ire h GLU 16 Ca 0.20 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1ire h GLU 16 Cb 0.27 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1ire h GLU 16 CO -0.01 0.59 0.28 0.82 -1.18 0.00 0.00 179.01 179.51 1ire h ILE 17 N 0.02 1.16 -0.62 2.32 2.04 -1.14 -1.82 117.51 119.48 1ire h ILE 17 Ca 0.04 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.58 1ire h ILE 17 Cb 0.47 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1ire h ILE 17 CO 0.02 0.17 0.28 0.74 0.00 0.00 0.00 178.15 179.36 1ire h THR 18 N 0.66 0.85 -0.41 -0.27 2.02 -1.11 0.34 112.91 114.98 1ire h THR 18 Ca 0.18 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1ire h THR 18 Cb 0.03 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1ire h THR 18 CO -0.03 0.09 0.02 0.00 0.37 0.00 0.00 175.52 175.97 1ire h ALA 19 N 1.38 0.55 -0.59 6.16 0.00 -1.22 -1.53 119.26 124.01 1ire h ALA 19 Ca 0.30 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ire h ALA 19 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ire h ALA 19 CO -0.25 0.31 0.07 0.00 0.00 0.00 0.00 179.25 179.37 1ire h ARG 20 N 0.54 0.97 -0.25 0.00 3.08 -0.79 -1.58 114.38 116.36 1ire h ARG 20 Ca 0.12 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1ire h ARG 20 Cb 0.45 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ire h ARG 20 CO 0.02 0.92 -0.24 0.28 -1.07 0.00 0.00 179.97 179.87 1ire h VAL 21 N 0.91 1.31 -0.36 2.04 2.07 -0.87 -1.50 116.25 119.86 1ire h VAL 21 Ca 0.18 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1ire h VAL 21 Cb 0.44 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1ire h VAL 21 CO 0.01 0.44 0.02 0.50 0.02 0.00 0.00 177.57 178.56 1ire h LYS 22 N 0.33 0.56 -0.07 1.57 3.64 -1.18 0.21 116.57 121.62 1ire h LYS 22 Ca 0.04 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1ire h LYS 22 Cb 0.80 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1ire h LYS 22 CO 0.06 0.57 -0.01 0.00 -2.27 0.00 0.00 179.45 177.80 1ire h ALA 23 N 1.49 0.10 -0.80 5.00 0.00 -1.15 -0.80 119.26 123.10 1ire h ALA 23 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ire h ALA 23 Cb 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ire h ALA 23 CO 0.01 -0.20 0.31 1.25 0.00 0.00 0.00 179.25 180.61 1ire h LEU 24 N -0.17 1.11 -0.54 0.00 5.85 -0.94 -2.68 115.31 117.93 1ire h LEU 24 Ca 0.02 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ire h LEU 24 Cb 0.38 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1ire h LEU 24 CO 0.01 0.99 0.35 -0.08 -0.34 0.00 0.00 178.44 179.37 1ire h GLU 25 N 1.16 0.70 -0.64 1.25 4.81 -0.47 -1.47 114.58 119.93 1ire h GLU 25 Ca 0.26 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1ire h GLU 25 Cb 0.23 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1ire h GLU 25 CO -0.02 0.47 0.42 0.66 -0.73 0.00 0.00 179.01 179.81 1ire h SER 26 N 0.72 0.69 -0.13 1.04 4.64 -0.82 -0.44 113.55 119.24 1ire h SER 26 Ca 0.20 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 1ire h SER 26 Cb -0.08 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1ire h SER 26 CO -0.04 0.48 -0.57 0.24 -0.87 0.00 0.00 176.83 176.07 1ire h MET 27 N 0.80 0.62 -0.03 4.77 2.86 -1.14 -2.07 114.93 120.74 1ire h MET 27 Ca 0.25 -0.49 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1ire h MET 27 Cb 0.00 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1ire h MET 27 CO -0.06 1.11 -0.36 -0.07 1.06 0.00 0.00 176.91 178.59 1ire h LEU 28 N 0.28 0.06 -0.28 1.22 3.38 -0.92 -1.55 115.31 117.50 1ire h LEU 28 Ca -0.03 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1ire h LEU 28 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ire h LEU 28 CO 0.12 0.42 -0.13 0.40 0.09 0.00 0.00 178.44 179.34 1ire h ILE 29 N 0.05 1.30 0.00 1.22 2.04 -1.03 -2.53 117.51 118.56 1ire h ILE 29 Ca 0.00 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1ire h ILE 29 Cb 0.66 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1ire h ILE 29 CO 0.05 0.38 -0.22 -0.33 0.00 0.00 0.00 178.15 178.03 1ire h GLU 30 N 0.32 0.00 0.00 2.37 5.08 -0.98 -1.22 114.58 120.15 1ire h GLU 30 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ire h GLU 30 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ire h GLU 30 CO 0.04 0.22 0.00 1.04 -1.00 0.00 0.00 179.01 179.31 1ire n GLN 31 N -4.19 0.05 -1.01 2.33 6.02 -0.62 -4.91 117.38 115.06 1ire n GLN 31 Ca -0.02 0.14 -0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1ire n GLN 31 Cb 0.28 -1.58 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 1ire n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ire n GLY 32 N 0.89 0.47 0.00 1.08 0.00 -0.46 -4.92 105.19 102.25 1ire n GLY 32 Ca 0.05 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1ire n GLY 32 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ire n ILE 33 N -2.96 0.00 -4.12 -0.61 -5.35 -0.98 -4.93 119.36 100.41 1ire n ILE 33 Ca -0.00 -0.03 -0.16 0.00 -0.27 0.00 0.00 62.75 62.29 1ire n ILE 33 Cb 0.03 1.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.78 1ire n ILE 33 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1ire s LEU 34 N -2.94 1.89 0.15 7.28 2.96 -1.14 -5.01 118.68 121.87 1ire s LEU 34 Ca 0.08 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1ire s LEU 34 Cb 0.15 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 1ire s LEU 34 CO 0.82 0.04 0.01 0.42 -1.32 0.00 0.00 176.35 176.31 1ire s THR 35 N 0.05 0.54 0.29 3.68 -4.23 -1.26 -4.09 115.64 110.62 1ire s THR 35 Ca -0.00 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1ire s THR 35 Cb -0.04 -2.04 0.08 0.00 1.34 0.00 0.00 72.50 71.84 1ire s THR 35 CO -0.00 -0.53 1.75 0.71 -0.54 0.00 0.00 174.62 176.01 1ire h THR 36 N 2.77 1.25 -0.20 3.99 1.35 -2.01 -2.65 112.91 117.42 1ire h THR 36 Ca -0.36 -1.17 -0.12 0.00 -0.55 0.00 0.00 66.41 64.21 1ire h THR 36 Cb 1.20 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1ire h THR 36 CO 0.62 0.38 -0.39 0.77 -0.25 0.00 0.00 175.52 176.64 1ire h SER 37 N 0.45 0.47 -0.52 5.36 4.64 -1.99 -1.51 113.55 120.45 1ire h SER 37 Ca 0.07 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 1ire h SER 37 Cb 0.60 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1ire h SER 37 CO 0.04 0.82 -0.07 -0.03 -0.87 0.00 0.00 176.83 176.72 1ire h MET 38 N 0.37 0.99 -0.10 4.77 -1.53 -1.93 -0.63 114.93 116.87 1ire h MET 38 Ca 0.03 -0.34 -0.01 0.00 -3.44 0.00 0.00 59.70 55.94 1ire h MET 38 Cb 0.86 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.83 1ire h MET 38 CO 0.07 1.02 0.01 0.82 0.14 0.00 0.00 176.91 178.97 1ire h ILE 39 N 0.89 1.22 -0.47 1.77 2.04 -1.27 -2.39 117.51 119.30 1ire h ILE 39 Ca 0.15 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1ire h ILE 39 Cb 0.62 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1ire h ILE 39 CO 0.04 0.20 0.10 0.44 0.00 0.00 0.00 178.15 178.93 1ire h ASP 40 N -0.07 0.66 -0.16 1.72 3.32 -1.16 -2.33 116.42 118.40 1ire h ASP 40 Ca 0.03 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1ire h ASP 40 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ire h ASP 40 CO 0.00 0.66 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.08 1ire h ARG 41 N 0.69 0.30 -0.62 3.56 9.65 -1.03 -0.89 114.38 126.04 1ire h ARG 41 Ca 0.15 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1ire h ARG 41 Cb 0.27 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1ire h ARG 41 CO -0.00 0.55 0.40 0.52 2.80 0.00 0.00 179.97 184.25 1ire h MET 42 N 0.02 0.83 -0.54 0.20 2.86 -1.32 -2.16 114.93 114.83 1ire h MET 42 Ca 0.04 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1ire h MET 42 Cb 0.43 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1ire h MET 42 CO 0.01 0.56 0.11 0.00 1.06 0.00 0.00 176.91 178.65 1ire h ALA 43 N 1.22 0.71 -0.71 6.32 0.00 -1.38 -2.97 119.26 122.45 1ire h ALA 43 Ca 0.23 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ire h ALA 43 Cb -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1ire h ALA 43 CO -0.05 0.43 0.46 1.49 0.00 0.00 0.00 179.25 181.58 1ire h GLU 44 N 0.77 0.88 -0.12 0.00 4.81 -0.91 -1.37 114.58 118.64 1ire h GLU 44 Ca 0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ire h GLU 44 Cb 0.38 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1ire h GLU 44 CO 0.01 0.58 0.08 0.82 -0.73 0.00 0.00 179.01 179.77 1ire h ILE 45 N 0.91 1.03 -0.01 2.32 2.04 -1.27 -1.70 117.51 120.84 1ire h ILE 45 Ca 0.28 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1ire h ILE 45 Cb -0.03 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1ire h ILE 45 CO -0.09 0.03 -0.07 -1.22 0.00 0.00 0.00 178.15 176.81 1ire n TYR 46 N -5.00 0.00 -0.10 1.37 4.02 -1.13 -0.17 117.16 116.14 1ire n TYR 46 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.74 1ire n TYR 46 Cb 0.03 -0.07 -0.15 0.00 -0.02 0.00 0.00 39.34 39.13 1ire n TYR 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ire n GLU 47 N -0.54 0.86 0.00 -0.72 1.02 -0.53 -4.75 120.64 115.98 1ire n GLU 47 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1ire n GLU 47 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1ire n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ire n ASN 48 N -2.74 2.20 -0.12 1.62 3.02 -0.65 -4.95 115.26 113.63 1ire n ASN 48 Ca -0.32 -0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 53.94 1ire n ASN 48 Cb 1.11 0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 40.70 1ire n ASN 48 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ire n GLU 49 N -0.72 0.53 -3.63 3.52 1.02 -0.07 -4.95 120.64 116.34 1ire n GLU 49 Ca 0.00 0.23 -0.38 0.00 -0.02 0.00 0.00 57.16 56.99 1ire n GLU 49 Cb 0.00 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 29.91 1ire n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ire s VAL 50 N -2.48 4.92 0.38 2.62 1.01 0.76 -4.99 120.40 122.62 1ire s VAL 50 Ca -0.35 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1ire s VAL 50 Cb 0.13 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 33.16 1ire s VAL 50 CO 0.44 0.19 0.75 0.61 0.00 0.00 0.00 175.10 177.09 1ire n GLY 51 N 5.02 1.06 0.07 4.51 0.00 -1.26 -4.40 105.19 110.19 1ire n GLY 51 Ca -0.14 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.66 1ire n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ire n PRO 52 N -0.52 0.06 0.24 1.61 -0.04 -1.19 -1.61 135.00 133.55 1ire n PRO 52 Ca -0.08 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 1ire n PRO 52 Cb 0.57 -1.69 0.57 0.00 -0.04 0.00 0.00 33.50 32.92 1ire n PRO 52 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ire h HIS 53 N 0.00 0.00 -0.12 0.54 2.07 -1.92 -1.69 115.15 114.03 1ire h HIS 53 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 1ire h HIS 53 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 1ire h HIS 53 CO 0.00 0.19 -0.30 -0.07 -3.07 0.00 0.00 177.93 174.67 1ire h LEU 54 N 0.00 0.47 -1.13 6.12 3.38 -1.47 -2.68 115.31 120.00 1ire h LEU 54 Ca -0.00 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 1ire h LEU 54 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1ire h LEU 54 CO 0.02 0.97 0.11 1.23 0.09 0.00 0.00 178.44 180.87 1ire h GLY 55 N -0.01 0.78 1.28 0.83 0.00 -0.68 -2.37 103.07 102.90 1ire h GLY 55 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1ire h GLY 55 CO 0.07 0.41 0.35 0.00 0.00 0.00 0.00 176.54 177.37 1ire h ALA 56 N 1.42 1.35 -0.79 3.60 0.00 -1.25 -0.56 119.26 123.04 1ire h ALA 56 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ire h ALA 56 Cb 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ire h ALA 56 CO -0.00 0.52 0.33 0.87 0.00 0.00 0.00 179.25 180.97 1ire h LYS 57 N 0.94 1.17 -0.32 0.00 1.57 -1.08 -1.06 116.57 117.79 1ire h LYS 57 Ca 0.24 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1ire h LYS 57 Cb 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1ire h LYS 57 CO -0.04 0.94 -0.06 0.28 -0.57 0.00 0.00 179.45 180.00 1ire h VAL 58 N 1.14 1.28 -0.11 0.50 2.07 -1.14 -2.48 116.25 117.50 1ire h VAL 58 Ca 0.26 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1ire h VAL 58 Cb 0.19 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ire h VAL 58 CO -0.02 0.35 0.07 0.58 0.02 0.00 0.00 177.57 178.57 1ire h VAL 59 N 0.38 1.04 0.00 2.57 2.07 -0.88 -1.73 116.25 119.70 1ire h VAL 59 Ca 0.08 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1ire h VAL 59 Cb 0.54 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1ire h VAL 59 CO 0.03 0.04 -0.30 -0.37 0.02 0.00 0.00 177.57 176.98 1ire h VAL 60 N 0.13 1.09 -0.26 2.57 -1.51 -1.22 -0.21 116.25 116.85 1ire h VAL 60 Ca 0.04 -1.08 -0.18 0.00 -1.23 0.00 0.00 66.70 64.25 1ire h VAL 60 Cb 0.01 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1ire h VAL 60 CO -0.01 0.30 -0.55 0.50 -1.23 0.00 0.00 177.57 176.58 1ire h LYS 61 N 0.00 0.83 -0.53 5.19 3.64 -1.21 -1.92 116.57 122.58 1ire h LYS 61 Ca -0.00 -0.55 -0.09 0.00 -1.27 0.00 0.00 60.65 58.74 1ire h LYS 61 Cb 0.58 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1ire h LYS 61 CO 0.04 1.18 -0.03 0.00 -2.27 0.00 0.00 179.45 178.37 1ire h ALA 62 N 0.65 0.95 -0.23 5.00 0.00 -0.84 0.14 119.26 124.93 1ire h ALA 62 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1ire h ALA 62 Cb 1.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ire h ALA 62 CO 0.12 0.63 -0.13 -1.49 0.00 0.00 0.00 179.25 178.37 1ire h TRP 63 N 0.84 0.41 -0.34 0.00 6.55 -0.94 -3.19 115.95 119.28 1ire h TRP 63 Ca 0.15 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1ire h TRP 63 Cb 0.54 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1ire h TRP 63 CO 0.03 0.51 0.00 0.25 -1.05 0.00 0.00 178.44 178.18 1ire n THR 64 N -4.22 0.73 -3.38 1.49 -2.24 -0.73 -4.84 114.28 101.09 1ire n THR 64 Ca 0.00 -0.87 -0.17 0.00 -2.27 0.00 0.00 64.05 60.75 1ire n THR 64 Cb 0.31 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1ire n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ire s ASP 65 N -1.06 1.37 0.36 3.42 -1.08 0.46 -5.03 116.67 115.11 1ire s ASP 65 Ca 0.27 -1.13 0.08 0.00 -0.52 0.00 0.00 52.55 51.25 1ire s ASP 65 Cb 0.15 0.56 0.79 0.00 -1.46 0.00 0.00 42.92 42.96 1ire s ASP 65 CO 0.20 -0.33 1.90 -0.65 0.52 0.00 0.00 175.17 176.81 1ire h PRO 66 N 7.69 0.70 -0.29 4.34 0.11 -1.84 -0.76 132.00 141.94 1ire h PRO 66 Ca -0.04 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1ire h PRO 66 Cb 1.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ire h PRO 66 CO 0.27 0.46 -0.24 0.93 -0.21 0.00 0.00 178.00 179.21 1ire h GLU 67 N 0.72 0.68 -0.64 1.05 4.39 -1.95 -1.86 114.58 116.98 1ire h GLU 67 Ca 0.40 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1ire h GLU 67 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1ire h GLU 67 CO -0.17 0.95 0.14 0.35 -1.16 0.00 0.00 179.01 179.12 1ire h PHE 68 N 0.43 1.06 -0.86 4.33 3.57 -1.74 -1.95 116.94 121.78 1ire h PHE 68 Ca 0.05 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1ire h PHE 68 Cb 0.80 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1ire h PHE 68 CO 0.07 0.88 0.55 -0.22 -2.23 0.00 0.00 178.31 177.36 1ire h LYS 69 N 0.96 1.05 -0.52 1.11 3.64 -1.01 0.32 116.57 122.13 1ire h LYS 69 Ca 0.20 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1ire h LYS 69 Cb 0.37 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1ire h LYS 69 CO 0.00 0.69 0.21 0.87 -2.27 0.00 0.00 179.45 178.96 1ire h LYS 70 N 1.08 0.77 -0.61 1.90 1.57 -0.85 -1.32 116.57 119.10 1ire h LYS 70 Ca 0.34 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1ire h LYS 70 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ire h LYS 70 CO -0.11 0.67 0.04 0.00 -0.57 0.00 0.00 179.45 179.48 1ire h ARG 71 N 0.69 1.04 -0.51 3.15 3.08 -0.59 -1.15 114.38 120.09 1ire h ARG 71 Ca 0.17 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1ire h ARG 71 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1ire h ARG 71 CO -0.02 1.00 0.29 1.25 -1.07 0.00 0.00 179.97 181.42 1ire h LEU 72 N 0.97 0.63 -0.72 3.04 5.85 -0.07 -0.55 115.31 124.47 1ire h LEU 72 Ca 0.18 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1ire h LEU 72 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1ire h LEU 72 CO 0.02 0.53 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.26 1ire h LEU 73 N 0.68 0.00 0.17 2.25 3.38 -1.09 -2.66 115.31 118.04 1ire h LEU 73 Ca 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.87 1ire h LEU 73 Cb 0.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ire h LEU 73 CO -0.03 0.33 -1.20 0.00 0.09 0.00 0.00 178.44 177.63 1ire h ALA 74 N 1.67 -0.08 -1.51 1.53 0.00 -0.82 -3.44 119.26 116.61 1ire h ALA 74 Ca -0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 1ire h ALA 74 Cb 0.97 0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.63 1ire h ALA 74 CO 0.04 0.60 -0.54 0.34 0.00 0.00 0.00 179.25 179.70 1ire s ASP 75 N -7.35 -0.13 0.21 0.00 -1.08 -0.25 -5.05 116.67 103.02 1ire s ASP 75 Ca -0.10 -0.73 -0.09 0.00 -0.52 0.00 0.00 52.55 51.10 1ire s ASP 75 Cb 0.04 1.29 0.24 0.00 -1.46 0.00 0.00 42.92 43.03 1ire s ASP 75 CO 0.91 -0.28 1.81 1.23 0.52 0.00 0.00 175.17 179.37 1ire h GLY 76 N 7.56 0.99 0.96 2.66 0.00 -1.30 -1.46 103.07 112.48 1ire h GLY 76 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1ire h GLY 76 CO 0.19 0.17 -0.06 -0.84 0.00 0.00 0.00 176.54 176.00 1ire h THR 77 N 0.71 0.90 -0.73 4.70 2.02 -1.88 -1.70 112.91 116.93 1ire h THR 77 Ca 0.30 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 1ire h THR 77 Cb 0.17 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1ire h THR 77 CO -0.17 0.03 0.22 -0.33 0.37 0.00 0.00 175.52 175.64 1ire h GLU 78 N -0.22 1.14 -0.38 6.66 4.39 -1.90 -2.36 114.58 121.92 1ire h GLU 78 Ca -0.02 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 1ire h GLU 78 Cb 0.18 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ire h GLU 78 CO 0.03 0.98 0.15 0.00 -1.16 0.00 0.00 179.01 179.01 1ire h ALA 79 N 1.11 0.49 0.00 3.43 0.00 -1.19 -2.50 119.26 120.60 1ire h ALA 79 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ire h ALA 79 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ire h ALA 79 CO -0.01 0.09 -0.18 0.00 0.00 0.00 0.00 179.25 179.16 1ire h LYS 81 N 0.00 0.00 0.00 0.00 1.57 -0.95 -1.24 116.57 115.94 1ire h LYS 81 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ire h LYS 81 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ire h LYS 81 CO 0.02 0.09 -0.13 0.93 -0.57 0.00 0.00 179.45 179.79 1ire h GLU 82 N 0.00 0.00 -0.57 3.15 5.08 -1.30 -1.46 114.58 119.48 1ire h GLU 82 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ire h GLU 82 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ire h GLU 82 CO 0.01 0.13 0.00 1.28 -1.00 0.00 0.00 179.01 179.43 1ire n LEU 83 N -3.77 3.95 -1.04 1.33 4.77 -0.61 -4.94 117.00 116.69 1ire n LEU 83 Ca -0.02 -2.23 -0.11 0.00 -0.03 0.00 0.00 56.01 53.62 1ire n LEU 83 Cb 0.23 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1ire n LEU 83 CO 0.31 0.84 -0.12 0.61 -1.33 0.00 0.00 177.39 177.70 1ire n GLY 84 N 1.01 0.61 3.49 -0.72 0.00 -0.55 -5.01 105.19 104.02 1ire n GLY 84 Ca 0.21 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1ire n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ire s ILE 85 N -2.48 3.84 -4.79 -0.61 1.01 -0.57 -4.98 121.20 112.62 1ire s ILE 85 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1ire s ILE 85 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1ire s ILE 85 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1ire n GLY 86 N 3.53 -2.48 0.00 6.18 0.00 -1.26 -3.02 105.19 108.13 1ire n GLY 86 Ca -0.17 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1ire n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ire n GLY 87 N -0.70 0.31 3.68 -0.02 0.00 -1.26 -4.81 105.19 102.39 1ire n GLY 87 Ca 0.00 -1.89 -0.52 0.00 0.00 0.00 0.00 46.02 43.61 1ire n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ire n LEU 88 N 0.00 2.79 -1.78 0.99 7.94 -1.26 -1.65 117.00 124.02 1ire n LEU 88 Ca 0.00 1.04 -0.17 0.00 -1.11 0.00 0.00 56.01 55.77 1ire n LEU 88 Cb 0.00 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 42.65 1ire n LEU 88 CO 0.00 -0.35 -0.21 0.00 -1.11 0.00 0.00 177.39 175.73 1ire n GLN 89 N 5.28 -1.33 -0.61 1.96 1.13 -1.26 -3.93 117.38 118.61 1ire n GLN 89 Ca 0.23 0.91 -0.00 0.00 -1.94 0.00 0.00 57.00 56.20 1ire n GLN 89 Cb 0.22 -5.31 -0.01 0.00 0.11 0.00 0.00 30.24 25.26 1ire n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ire n GLY 90 N -0.97 0.79 0.26 1.08 0.00 -0.66 -3.29 105.19 102.41 1ire n GLY 90 Ca -0.20 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.81 1ire n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ire h GLU 91 N 0.06 0.28 -3.82 1.61 3.07 -1.77 -3.37 114.58 110.64 1ire h GLU 91 Ca -0.07 -0.04 -0.58 0.00 -0.50 0.00 0.00 59.36 58.17 1ire h GLU 91 Cb 1.22 -0.05 -0.40 0.00 -0.84 0.00 0.00 28.75 28.68 1ire h GLU 91 CO -0.02 0.30 -0.76 -0.51 -1.40 0.00 0.00 179.01 176.62 1ire s ASP 92 N -6.86 3.80 -0.05 1.42 1.01 -1.26 -4.84 116.67 109.89 1ire s ASP 92 Ca -0.06 -1.40 0.04 0.00 0.71 0.00 0.00 52.55 51.85 1ire s ASP 92 Cb 0.16 -0.93 -0.02 0.00 1.01 0.00 0.00 42.92 43.14 1ire s ASP 92 CO 0.72 -0.35 -0.17 -0.04 0.21 0.00 0.00 175.17 175.54 1ire s MET 93 N 1.57 2.52 -0.21 8.23 -1.94 -1.26 0.27 119.30 128.48 1ire s MET 93 Ca 0.04 -0.75 -0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1ire s MET 93 Cb -0.18 -2.32 0.05 0.00 2.01 0.00 0.00 34.83 34.39 1ire s MET 93 CO -0.16 0.55 -0.04 1.41 -0.01 0.00 0.00 175.02 176.78 1ire s MET 94 N -0.56 1.40 0.06 2.03 1.75 0.50 -2.79 119.30 121.69 1ire s MET 94 Ca 0.08 -0.74 -0.20 0.00 -1.25 0.00 0.00 55.69 53.58 1ire s MET 94 Cb -0.11 -2.32 -0.06 0.00 2.84 0.00 0.00 34.83 35.17 1ire s MET 94 CO 0.01 -0.55 0.58 -1.58 -0.65 0.00 0.00 175.02 172.83 1ire s TRP 95 N 1.55 3.79 -0.09 4.11 0.52 -1.26 -1.75 118.94 125.81 1ire s TRP 95 Ca -0.03 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.41 1ire s TRP 95 Cb -0.17 -2.53 -0.00 0.00 -1.15 0.00 0.00 33.47 29.61 1ire s TRP 95 CO -0.07 0.54 -0.23 0.14 0.02 0.00 0.00 176.95 177.35 1ire s VAL 96 N -0.92 1.97 -0.22 4.03 -7.23 0.29 -4.76 120.40 113.56 1ire s VAL 96 Ca 0.30 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 59.28 1ire s VAL 96 Cb -0.19 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 1ire s VAL 96 CO 0.19 0.54 0.62 -0.70 -0.31 0.00 0.00 175.10 175.45 1ire s GLU 97 N 0.27 4.18 0.33 4.82 2.12 -1.26 -0.36 118.70 128.80 1ire s GLU 97 Ca -0.15 0.59 -0.27 0.00 0.36 0.00 0.00 54.97 55.49 1ire s GLU 97 Cb -0.17 -3.60 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 1ire s GLU 97 CO 0.07 -0.29 1.06 -0.80 -0.54 0.00 0.00 175.26 174.76 1ire s ASN 98 N 1.28 7.08 0.14 -1.70 0.01 -0.61 -4.88 114.94 116.26 1ire s ASN 98 Ca 0.28 2.12 0.03 0.00 -0.71 0.00 0.00 52.86 54.58 1ire s ASN 98 Cb -0.16 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 1ire s ASN 98 CO 0.10 -0.26 0.11 0.35 -1.51 0.00 0.00 177.10 175.88 1ire n THR 99 N 0.64 0.00 0.29 1.60 -2.24 -0.16 -4.44 114.28 109.96 1ire n THR 99 Ca 0.02 -0.98 0.15 0.00 -2.27 0.00 0.00 64.05 60.97 1ire n THR 99 Cb 0.47 0.47 0.51 0.00 -2.10 0.00 0.00 70.33 69.68 1ire n THR 99 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ire h ASP 100 N 0.80 0.00 0.00 3.42 3.32 -2.02 -3.22 116.42 118.71 1ire h ASP 100 Ca -0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1ire h ASP 100 Cb 0.48 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ire h ASP 100 CO 0.15 0.00 -1.86 -0.62 -1.72 0.00 0.00 179.24 175.19 1ire n GLU 101 N -2.99 0.58 -4.23 3.56 4.71 -1.26 -4.94 120.64 116.07 1ire n GLU 101 Ca 0.02 -0.16 -0.17 0.00 -0.01 0.00 0.00 57.16 56.84 1ire n GLU 101 Cb 0.37 -1.44 -0.14 0.00 -1.01 0.00 0.00 31.44 29.21 1ire n GLU 101 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ire s VAL 102 N -3.26 0.54 -0.06 2.62 1.01 -1.22 -2.37 120.40 117.66 1ire s VAL 102 Ca -0.07 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1ire s VAL 102 Cb 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1ire s VAL 102 CO 0.77 0.11 -0.16 -2.28 0.00 0.00 0.00 175.10 173.54 1ire s HIS 103 N -0.25 1.74 0.06 5.22 2.46 0.00 -0.99 115.29 123.53 1ire s HIS 103 Ca 0.02 -0.62 0.03 0.00 0.47 0.00 0.00 55.06 54.96 1ire s HIS 103 Cb -0.03 -1.22 -0.04 0.00 -0.13 0.00 0.00 32.58 31.16 1ire s HIS 103 CO -0.00 -0.27 0.04 -1.01 -2.47 0.00 0.00 174.74 171.03 1ire s HIS 104 N 0.40 3.12 -0.11 3.88 3.76 -1.26 -0.35 115.29 124.72 1ire s HIS 104 Ca -0.12 0.06 -0.08 0.00 -0.15 0.00 0.00 55.06 54.77 1ire s HIS 104 Cb -0.15 -1.62 0.04 0.00 1.11 0.00 0.00 32.58 31.96 1ire s HIS 104 CO 0.04 0.50 0.28 0.54 -0.85 0.00 0.00 174.74 175.25 1ire s VAL 105 N -1.28 -0.02 0.16 -0.90 0.11 -0.60 -4.33 120.40 113.55 1ire s VAL 105 Ca 0.25 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.42 1ire s VAL 105 Cb -0.12 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1ire s VAL 105 CO 0.17 0.02 0.05 0.68 -3.33 0.00 0.00 175.10 172.70 1ire s VAL 106 N 0.66 4.06 0.16 2.04 -7.23 -0.00 -0.45 120.40 119.63 1ire s VAL 106 Ca -0.04 -1.24 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1ire s VAL 106 Cb -0.05 -3.04 0.07 0.00 0.56 0.00 0.00 36.38 33.91 1ire s VAL 106 CO -0.04 -0.08 0.68 0.54 -0.31 0.00 0.00 175.10 175.89 1ire s VAL 107 N -1.69 0.00 -0.43 1.32 0.11 -0.34 -4.92 120.40 114.45 1ire s VAL 107 Ca 0.29 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1ire s VAL 107 Cb -0.10 -1.24 0.13 0.00 -1.53 0.00 0.00 36.38 33.65 1ire s VAL 107 CO 0.20 0.00 0.22 0.00 -3.33 0.00 0.00 175.10 172.19 1ire h THR 109 N 5.41 0.94 0.00 0.00 1.35 -1.89 -3.35 112.91 115.37 1ire h THR 109 Ca -0.03 -0.75 -0.22 0.00 -0.55 0.00 0.00 66.41 64.86 1ire h THR 109 Cb 0.94 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.75 1ire h THR 109 CO 0.49 0.20 -1.14 -0.07 -0.25 0.00 0.00 175.52 174.75 1ire h LEU 110 N 0.00 0.00 -8.33 3.87 3.38 -1.93 -3.47 115.31 108.83 1ire h LEU 110 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1ire h LEU 110 Cb 0.41 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.83 1ire h LEU 110 CO 0.03 0.94 -0.87 -0.94 0.09 0.00 0.00 178.44 177.69 1ire s SER 112 N -6.51 3.13 0.00 -0.43 1.04 -1.26 -5.22 113.70 104.45 1ire s SER 112 Ca -0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1ire s SER 112 Cb 0.09 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1ire s SER 112 CO 0.81 0.15 0.00 0.00 0.98 0.00 0.00 173.24 175.18 1ire n TYR 114 N 3.60 0.00 -2.39 5.02 9.36 -1.26 -4.90 117.16 126.59 1ire n TYR 114 Ca -0.19 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.66 1ire n TYR 114 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.21 1ire n TYR 114 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1ire s PRO 115 N -2.43 3.42 0.26 2.98 0.04 -1.26 -4.80 135.00 133.21 1ire s PRO 115 Ca 0.00 -1.63 -0.01 0.00 0.04 0.00 0.00 61.00 59.40 1ire s PRO 115 Cb 0.00 -5.42 0.55 0.00 0.04 0.00 0.00 34.50 29.67 1ire s PRO 115 CO 0.00 -2.89 1.73 -1.49 0.04 0.00 0.00 177.00 174.39 1ire h TRP 116 N 8.51 0.62 -0.14 0.56 6.55 -1.70 -1.48 115.95 128.86 1ire h TRP 116 Ca 0.35 0.04 0.04 0.00 0.95 0.00 0.00 58.89 60.27 1ire h TRP 116 Cb 0.90 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 29.05 1ire h TRP 116 CO 1.34 0.07 0.12 -1.35 -1.05 0.00 0.00 178.44 177.57 1ire h PRO 117 N 0.48 0.00 0.00 0.49 0.11 -1.81 0.38 132.00 131.65 1ire h PRO 117 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1ire h PRO 117 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1ire h PRO 117 CO -0.43 0.00 -1.35 1.33 -0.21 0.00 0.00 178.00 177.34 1ire n VAL 118 N -4.15 0.00 -0.06 3.15 0.24 -0.96 -4.59 118.33 111.96 1ire n VAL 118 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1ire n VAL 118 Cb 0.24 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 1ire n VAL 118 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ire n LEU 119 N -1.79 0.26 0.00 1.34 4.77 -0.60 -0.89 117.00 120.09 1ire n LEU 119 Ca -0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1ire n LEU 119 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ire n LEU 119 CO 0.22 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1ire n GLY 120 N 0.56 -1.18 3.77 -0.72 0.00 0.13 -3.16 105.19 104.59 1ire n GLY 120 Ca 0.00 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1ire n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ire s LEU 121 N 0.00 4.40 0.53 0.99 1.43 -1.26 -4.09 118.68 120.68 1ire s LEU 121 Ca 0.00 2.34 -0.21 0.00 -1.03 0.00 0.00 54.13 55.23 1ire s LEU 121 Cb 0.00 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1ire s LEU 121 CO 0.00 -0.38 1.20 -2.16 0.23 0.00 0.00 176.35 175.24 1ire s PRO 122 N -1.82 3.36 0.69 1.29 0.04 -1.26 -5.01 135.00 132.29 1ire s PRO 122 Ca 0.50 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 1ire s PRO 122 Cb -0.32 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1ire s PRO 122 CO 0.41 -0.90 1.11 -1.25 0.04 0.00 0.00 177.00 176.42 1ire s PRO 123 N -3.03 2.63 0.37 0.56 0.04 -1.26 -4.92 135.00 129.39 1ire s PRO 123 Ca 0.71 1.36 0.10 0.00 0.04 0.00 0.00 61.00 63.21 1ire s PRO 123 Cb -0.30 -1.93 0.84 0.00 0.04 0.00 0.00 34.50 33.15 1ire s PRO 123 CO 0.35 -1.38 1.89 -0.91 0.04 0.00 0.00 177.00 176.98 1ire h ASN 124 N -0.25 0.62 -0.30 6.66 2.35 -2.00 -2.38 115.58 120.28 1ire h ASN 124 Ca -0.46 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 1ire h ASN 124 Cb 1.25 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1ire h ASN 124 CO 0.53 0.33 0.14 4.11 -1.65 0.00 0.00 177.43 180.88 1ire h TRP 125 N 0.66 0.49 -0.19 1.19 5.08 -1.95 -1.56 115.95 119.67 1ire h TRP 125 Ca 0.42 -0.01 -0.08 0.00 1.08 0.00 0.00 58.89 60.30 1ire h TRP 125 Cb 0.68 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 1ire h TRP 125 CO -0.00 0.39 -0.22 0.35 -1.28 0.00 0.00 178.44 177.68 1ire h PHE 126 N 0.50 0.37 0.00 0.12 3.57 -1.79 -2.78 116.94 116.92 1ire h PHE 126 Ca 0.12 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ire h PHE 126 Cb 0.11 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ire h PHE 126 CO 0.00 0.55 -0.38 1.63 -2.23 0.00 0.00 178.31 177.88 1ire n LYS 127 N -4.16 0.14 -2.72 1.11 5.02 -0.66 -4.64 118.16 112.25 1ire n LYS 127 Ca -0.01 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 1ire n LYS 127 Cb 0.36 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1ire n LYS 127 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ire s GLU 128 N -3.07 3.81 0.48 1.97 2.02 -0.76 -4.83 118.70 118.30 1ire s GLU 128 Ca 0.10 0.58 0.16 0.00 0.02 0.00 0.00 54.97 55.83 1ire s GLU 128 Cb 0.16 -2.32 1.15 0.00 0.10 0.00 0.00 34.13 33.22 1ire s GLU 128 CO 0.66 -0.11 2.04 -1.35 0.02 0.00 0.00 175.26 176.52 1ire h PRO 129 N 1.11 0.22 0.54 0.39 0.11 -1.91 -2.99 132.00 129.47 1ire h PRO 129 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1ire h PRO 129 Cb 1.19 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1ire h PRO 129 CO 0.63 0.15 -0.26 1.96 -0.21 0.00 0.00 178.00 180.27 1ire h GLN 130 N 0.23 -0.70 -0.08 1.05 7.50 -1.94 -0.74 115.11 120.42 1ire h GLN 130 Ca 0.19 0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.37 1ire h GLN 130 Cb 0.44 0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.13 1ire h GLN 130 CO -0.03 -0.45 0.00 -0.92 -1.50 0.00 0.00 178.83 175.93 1ire h TYR 131 N -0.76 0.15 -0.71 2.96 3.20 -1.76 -2.95 116.97 117.10 1ire h TYR 131 Ca -0.07 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.83 1ire h TYR 131 Cb 0.57 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1ire h TYR 131 CO -0.03 0.40 0.40 0.00 -1.64 0.00 0.00 178.16 177.30 1ire h ARG 132 N -0.14 0.72 -0.33 1.82 3.08 -1.55 -1.68 114.38 116.28 1ire h ARG 132 Ca 0.02 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1ire h ARG 132 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ire h ARG 132 CO 0.00 0.47 -0.34 0.66 -1.07 0.00 0.00 179.97 179.70 1ire h SER 133 N 0.74 0.87 0.46 7.04 4.64 -1.17 -3.37 113.55 122.75 1ire h SER 133 Ca 0.32 -0.47 -0.30 0.00 -0.47 0.00 0.00 61.79 60.86 1ire h SER 133 Cb 0.20 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1ire h SER 133 CO -0.19 1.16 -1.48 -0.09 -0.87 0.00 0.00 176.83 175.37 1ire h ARG 134 N 0.59 0.29 -0.56 4.77 2.43 -1.35 -3.39 114.38 117.17 1ire h ARG 134 Ca 0.05 -0.50 0.10 0.00 -0.81 0.00 0.00 59.98 58.82 1ire h ARG 134 Cb 0.92 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1ire h ARG 134 CO 0.08 1.18 0.38 -0.24 -1.51 0.00 0.00 179.97 179.87 1ire h VAL 135 N 0.08 0.89 0.00 0.20 3.04 -1.47 0.21 116.25 119.20 1ire h VAL 135 Ca -0.23 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1ire h VAL 135 Cb 2.03 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1ire h VAL 135 CO 0.18 0.06 -0.11 -0.37 -1.01 0.00 0.00 177.57 176.33 1ire h VAL 136 N 0.35 0.00 0.00 1.51 -1.51 -1.77 -3.10 116.25 111.72 1ire h VAL 136 Ca 0.26 -0.74 -0.38 0.00 -1.23 0.00 0.00 66.70 64.61 1ire h VAL 136 Cb 0.55 1.67 -0.07 0.00 -2.13 0.00 0.00 31.29 31.32 1ire h VAL 136 CO -0.06 0.00 -2.40 -1.14 -1.23 0.00 0.00 177.57 172.73 1ire n ARG 137 N -2.64 0.60 -3.11 5.19 0.63 -0.47 -4.76 116.66 112.10 1ire n ARG 137 Ca 0.04 0.16 -0.20 0.00 -0.92 0.00 0.00 57.85 56.93 1ire n ARG 137 Cb 0.48 -1.48 -0.03 0.00 0.45 0.00 0.00 32.46 31.88 1ire n ARG 137 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ire n GLU 138 N -3.39 1.52 -0.37 -0.14 1.02 0.61 -4.97 120.64 114.92 1ire n GLU 138 Ca -0.45 -3.73 -0.00 0.00 -0.02 0.00 0.00 57.16 52.96 1ire n GLU 138 Cb 0.94 -1.82 0.13 0.00 -0.02 0.00 0.00 31.44 30.67 1ire n GLU 138 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ire h PRO 139 N 2.99 1.24 -0.15 3.49 0.13 -1.67 -1.36 132.00 136.68 1ire h PRO 139 Ca 0.10 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1ire h PRO 139 Cb 0.87 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1ire h PRO 139 CO 0.58 0.82 0.04 -0.09 -0.23 0.00 0.00 178.00 179.12 1ire h ARG 140 N 1.28 0.23 -0.63 0.86 2.43 -1.93 -1.61 114.38 115.01 1ire h ARG 140 Ca 0.39 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1ire h ARG 140 Cb -0.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1ire h ARG 140 CO -0.12 0.38 0.06 1.96 -1.51 0.00 0.00 179.97 180.74 1ire h GLN 141 N 0.05 1.06 -0.31 0.20 7.50 -1.92 -2.60 115.11 119.08 1ire h GLN 141 Ca 0.05 -0.30 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 1ire h GLN 141 Cb 0.25 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 1ire h GLN 141 CO -0.00 1.00 0.13 1.25 -1.50 0.00 0.00 178.83 179.71 1ire h LEU 142 N 0.99 0.43 -0.92 1.46 6.46 -1.16 0.30 115.31 122.86 1ire h LEU 142 Ca 0.19 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1ire h LEU 142 Cb 0.48 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1ire h LEU 142 CO 0.02 0.46 0.58 -0.07 -0.62 0.00 0.00 178.44 178.82 1ire h LEU 143 N 0.36 1.08 0.13 2.25 3.38 -1.19 -0.21 115.31 121.10 1ire h LEU 143 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ire h LEU 143 Cb 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ire h LEU 143 CO -0.01 0.81 -0.06 0.50 0.09 0.00 0.00 178.44 179.77 1ire h LYS 144 N 1.26 -0.16 -0.21 1.13 3.64 -1.04 -0.39 116.57 120.81 1ire h LYS 144 Ca 0.33 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1ire h LYS 144 Cb -0.10 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1ire h LYS 144 CO -0.07 0.30 0.03 0.93 -2.27 0.00 0.00 179.45 178.38 1ire h GLU 145 N -0.75 0.34 0.17 1.90 5.08 -0.91 -1.11 114.58 119.30 1ire h GLU 145 Ca -0.02 -0.09 -0.35 0.00 -1.00 0.00 0.00 59.36 57.90 1ire h GLU 145 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ire h GLU 145 CO 0.03 0.49 -1.77 1.49 -1.00 0.00 0.00 179.01 178.25 1ire h GLU 146 N 0.14 0.37 -0.14 2.33 4.57 -1.19 -3.40 114.58 117.26 1ire h GLU 146 Ca 0.06 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1ire h GLU 146 Cb 0.31 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1ire h GLU 146 CO 0.00 1.29 0.00 1.19 -1.18 0.00 0.00 179.01 180.31 1ire n PHE 147 N -3.56 0.17 -2.04 0.92 3.01 -0.84 -4.98 117.46 110.14 1ire n PHE 147 Ca -0.25 -0.17 -0.21 0.00 1.01 0.00 0.00 57.45 57.83 1ire n PHE 147 Cb 1.07 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.49 1ire n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ire n GLY 148 N 0.66 0.62 3.29 1.37 0.00 -0.42 -4.94 105.19 105.77 1ire n GLY 148 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ire n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ire s PHE 149 N -2.92 3.31 -0.41 1.61 5.36 -0.22 -4.92 117.98 119.79 1ire s PHE 149 Ca 0.00 -1.39 -0.19 0.00 -0.96 0.00 0.00 56.93 54.39 1ire s PHE 149 Cb 0.00 -2.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.92 1ire s PHE 149 CO 0.00 -0.79 0.53 -2.00 -1.46 0.00 0.00 175.22 171.50 1ire s GLU 150 N 1.45 3.30 -0.35 10.12 2.12 -1.26 -2.18 118.70 131.90 1ire s GLU 150 Ca 0.02 -0.46 -0.13 0.00 0.36 0.00 0.00 54.97 54.77 1ire s GLU 150 Cb -0.22 -3.92 -0.00 0.00 0.26 0.00 0.00 34.13 30.25 1ire s GLU 150 CO 0.03 -0.86 0.23 0.08 -0.54 0.00 0.00 175.26 174.21 1ire s VAL 151 N 2.46 5.10 0.21 3.70 1.01 -1.26 -5.06 120.40 126.57 1ire s VAL 151 Ca 0.18 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1ire s VAL 151 Cb -0.15 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 1ire s VAL 151 CO 0.16 -0.07 0.95 -2.65 0.00 0.00 0.00 175.10 173.49 1ire n PRO 152 N 5.09 0.89 -0.23 2.72 -0.02 -1.26 -4.85 135.00 137.33 1ire n PRO 152 Ca -0.12 0.31 0.26 0.00 -2.02 0.00 0.00 63.50 61.93 1ire n PRO 152 Cb 0.49 -1.65 0.64 0.00 -0.02 0.00 0.00 33.50 32.96 1ire n PRO 152 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ire h PRO 153 N 2.30 0.16 0.00 0.52 0.11 -2.03 0.75 132.00 133.82 1ire h PRO 153 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ire h PRO 153 Cb 1.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1ire h PRO 153 CO 0.63 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 179.19 1ire h SER 154 N 0.17 0.00 -3.43 -2.05 4.64 -2.00 -3.43 113.55 107.44 1ire h SER 154 Ca 0.48 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.20 1ire h SER 154 Cb 1.58 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.58 1ire h SER 154 CO -0.10 0.00 0.04 -0.75 -0.87 0.00 0.00 176.83 175.16 1ire s LYS 155 N -3.21 4.22 0.23 4.77 2.20 0.26 -5.04 119.74 123.16 1ire s LYS 155 Ca 0.08 0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 55.93 1ire s LYS 155 Cb 0.10 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.77 1ire s LYS 155 CO 0.56 -0.17 1.25 -2.00 -0.36 0.00 0.00 175.35 174.64 1ire s GLU 156 N 1.68 4.44 -0.25 4.03 2.12 -1.00 -4.82 118.70 124.90 1ire s GLU 156 Ca 0.27 2.01 -0.05 0.00 0.36 0.00 0.00 54.97 57.56 1ire s GLU 156 Cb -0.16 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1ire s GLU 156 CO 0.10 -0.14 0.00 0.42 -0.54 0.00 0.00 175.26 175.11 1ire s ILE 157 N -0.32 3.55 -0.30 -3.70 1.01 -1.26 -0.82 121.20 119.35 1ire s ILE 157 Ca 0.53 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1ire s ILE 157 Cb -0.36 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1ire s ILE 157 CO 0.41 0.27 0.17 -0.54 0.00 0.00 0.00 174.94 175.25 1ire s LYS 158 N 1.47 3.54 -0.23 2.79 1.02 0.53 -4.98 119.74 123.88 1ire s LYS 158 Ca 0.04 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 1ire s LYS 158 Cb -0.16 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 1ire s LYS 158 CO -0.01 -0.35 0.18 0.08 -0.92 0.00 0.00 175.35 174.33 1ire s VAL 159 N 1.67 5.35 -0.34 3.17 1.01 -1.26 -1.55 120.40 128.45 1ire s VAL 159 Ca 0.06 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1ire s VAL 159 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1ire s VAL 159 CO 0.08 0.35 0.17 0.26 0.00 0.00 0.00 175.10 175.95 1ire s TRP 160 N 0.98 3.21 -0.35 5.22 0.52 0.40 -4.97 118.94 123.95 1ire s TRP 160 Ca 0.09 -0.81 -0.15 0.00 0.02 0.00 0.00 56.10 55.25 1ire s TRP 160 Cb -0.13 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1ire s TRP 160 CO 0.04 -0.56 0.36 0.34 0.02 0.00 0.00 176.95 177.15 1ire s ASP 161 N 1.57 6.17 -1.30 2.95 2.15 -1.26 -1.20 116.67 125.75 1ire s ASP 161 Ca 0.03 -0.26 -0.18 0.00 0.43 0.00 0.00 52.55 52.57 1ire s ASP 161 Cb -0.18 -2.20 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1ire s ASP 161 CO 0.06 -0.35 1.94 -1.54 -0.17 0.00 0.00 175.17 175.11 1ire n SER 162 N 5.38 4.18 0.11 -0.34 3.41 -0.16 -4.69 113.62 121.51 1ire n SER 162 Ca -0.09 -2.85 0.13 0.00 -0.26 0.00 0.00 58.87 55.80 1ire n SER 162 Cb 0.49 -1.67 0.30 0.00 -0.26 0.00 0.00 64.21 63.08 1ire n SER 162 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ire h SER 163 N 7.32 0.00 -2.90 4.04 4.64 -1.88 -3.46 113.55 121.31 1ire h SER 163 Ca 0.46 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1ire h SER 163 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1ire h SER 163 CO 1.62 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 176.07 1ire n SER 164 N -2.33 1.85 0.00 4.97 3.41 -1.26 -5.02 113.62 115.24 1ire n SER 164 Ca 0.05 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.87 1ire n SER 164 Cb 0.45 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.06 1ire n SER 164 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ire n GLU 165 N -0.07 0.32 -2.18 4.33 -0.58 -1.26 -4.74 120.64 116.46 1ire n GLU 165 Ca 0.00 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 1ire n GLU 165 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 1ire n GLU 165 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ire s MET 166 N -2.64 4.28 -0.23 3.49 1.75 -1.26 -4.39 119.30 120.30 1ire s MET 166 Ca 0.24 2.03 -0.07 0.00 -1.25 0.00 0.00 55.69 56.64 1ire s MET 166 Cb 0.18 -3.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.32 1ire s MET 166 CO 0.42 -0.56 0.06 1.03 -0.65 0.00 0.00 175.02 175.32 1ire s ARG 167 N 2.11 3.69 -0.06 4.11 1.81 0.14 -4.80 118.95 125.95 1ire s ARG 167 Ca 0.65 -0.47 -0.16 0.00 -1.72 0.00 0.00 55.73 54.03 1ire s ARG 167 Cb -0.34 -3.27 -0.05 0.00 -0.45 0.00 0.00 34.95 30.84 1ire s ARG 167 CO 0.28 -0.10 0.43 -0.06 -0.68 0.00 0.00 175.30 175.17 1ire s PHE 168 N 1.37 3.62 -0.02 -0.53 0.40 -1.26 -0.37 117.98 121.19 1ire s PHE 168 Ca 0.05 0.92 0.03 0.00 -0.60 0.00 0.00 56.93 57.33 1ire s PHE 168 Cb -0.15 -2.40 -0.00 0.00 0.51 0.00 0.00 43.02 40.98 1ire s PHE 168 CO 0.03 0.41 -0.10 0.08 0.70 0.00 0.00 175.22 176.35 1ire s VAL 169 N -0.25 0.80 -0.11 -0.44 1.01 -0.72 -4.78 120.40 115.91 1ire s VAL 169 Ca 0.24 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1ire s VAL 169 Cb -0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1ire s VAL 169 CO 0.11 0.24 0.49 -0.69 0.00 0.00 0.00 175.10 175.25 1ire s VAL 170 N 0.04 5.18 -0.56 2.92 1.01 -0.36 -0.55 120.40 128.08 1ire s VAL 170 Ca -0.01 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 1ire s VAL 170 Cb -0.07 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.60 1ire s VAL 170 CO 0.00 0.33 0.58 -0.22 0.00 0.00 0.00 175.10 175.79 1ire s LEU 171 N 0.61 5.83 0.69 3.92 2.96 0.52 -4.35 118.68 128.86 1ire s LEU 171 Ca 0.27 -1.62 -0.15 0.00 -0.22 0.00 0.00 54.13 52.41 1ire s LEU 171 Cb -0.15 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1ire s LEU 171 CO 0.11 -0.95 1.13 -2.16 -1.32 0.00 0.00 176.35 173.15 1ire s PRO 172 N 2.05 2.58 0.47 0.98 0.04 -1.26 -1.58 135.00 138.28 1ire s PRO 172 Ca 0.07 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 1ire s PRO 172 Cb -0.27 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1ire s PRO 172 CO 0.05 -1.43 1.17 -0.65 0.04 0.00 0.00 177.00 176.17 1ire s GLN 173 N -4.13 3.69 -0.08 4.56 -0.21 -1.26 -4.82 119.66 117.40 1ire s GLN 173 Ca 0.68 1.79 -0.30 0.00 0.02 0.00 0.00 55.36 57.55 1ire s GLN 173 Cb -0.22 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 1ire s GLN 173 CO 0.44 -0.61 1.31 0.50 -2.12 0.00 0.00 175.29 174.80 1ire s ARG 174 N -2.76 4.28 0.54 2.91 3.52 -1.26 -4.57 118.95 121.61 1ire s ARG 174 Ca 0.65 1.78 -0.22 0.00 -0.13 0.00 0.00 55.73 57.81 1ire s ARG 174 Cb -0.29 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.37 1ire s ARG 174 CO 0.35 -0.61 1.28 -2.30 -0.81 0.00 0.00 175.30 173.21 1ire n PRO 175 N 5.92 1.59 -1.45 5.12 -0.02 -1.26 -4.97 135.00 139.93 1ire n PRO 175 Ca 0.13 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 1ire n PRO 175 Cb 0.45 -2.47 0.08 0.00 -0.02 0.00 0.00 33.50 31.53 1ire n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ire s ALA 176 N -1.31 2.27 -0.40 3.55 0.00 -1.26 -3.81 121.76 120.80 1ire s ALA 176 Ca 0.71 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1ire s ALA 176 Cb -0.43 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1ire s ALA 176 CO 0.50 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1ire n GLY 177 N -0.63 0.45 0.12 0.00 0.00 -1.26 -4.46 105.19 99.42 1ire n GLY 177 Ca 0.10 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.41 1ire n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ire n THR 178 N -3.43 1.80 -1.68 2.61 -2.24 -1.25 -5.01 114.28 105.08 1ire n THR 178 Ca -0.04 -2.19 -0.45 0.00 -2.27 0.00 0.00 64.05 59.10 1ire n THR 178 Cb 0.33 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1ire n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ire n ASP 179 N -1.34 3.54 0.00 3.42 8.00 -1.26 -1.99 116.55 126.92 1ire n ASP 179 Ca 0.15 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1ire n ASP 179 Cb 0.65 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1ire n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ire n GLY 180 N 3.91 0.59 3.75 0.44 0.00 -1.26 -5.01 105.19 107.61 1ire n GLY 180 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1ire n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ire s TRP 181 N -2.57 2.37 0.73 1.61 0.52 -0.84 -5.01 118.94 115.75 1ire s TRP 181 Ca 0.00 1.51 -0.11 0.00 0.02 0.00 0.00 56.10 57.52 1ire s TRP 181 Cb 0.00 -3.49 0.03 0.00 -1.15 0.00 0.00 33.47 28.86 1ire s TRP 181 CO 0.00 -2.25 1.07 -1.54 0.02 0.00 0.00 176.95 174.25 1ire s SER 182 N -1.59 5.11 0.37 2.95 1.04 -1.26 -4.83 113.70 115.48 1ire s SER 182 Ca 0.78 1.46 0.04 0.00 0.48 0.00 0.00 55.95 58.71 1ire s SER 182 Cb -0.31 -2.29 0.71 0.00 0.10 0.00 0.00 66.02 64.23 1ire s SER 182 CO 0.33 -1.60 2.02 -0.33 0.98 0.00 0.00 173.24 174.65 1ire h GLU 183 N -0.83 0.74 -0.42 4.02 5.08 -1.94 -0.29 114.58 120.94 1ire h GLU 183 Ca -0.45 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 1ire h GLU 183 Cb 1.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1ire h GLU 183 CO 0.58 0.49 -0.00 1.49 -1.00 0.00 0.00 179.01 180.57 1ire h GLU 184 N 0.76 0.74 -0.52 2.33 4.81 -1.99 -1.02 114.58 119.69 1ire h GLU 184 Ca 0.22 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1ire h GLU 184 Cb -0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ire h GLU 184 CO -0.05 0.82 -0.07 0.93 -0.73 0.00 0.00 179.01 179.91 1ire h GLU 185 N 0.57 0.96 -0.21 1.92 5.08 -1.78 -2.98 114.58 118.14 1ire h GLU 185 Ca 0.12 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1ire h GLU 185 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ire h GLU 185 CO 0.02 1.01 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.78 1ire h LEU 186 N 0.82 0.36 -2.07 1.33 3.38 -0.94 -2.85 115.31 115.35 1ire h LEU 186 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ire h LEU 186 Cb 0.62 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ire h LEU 186 CO 0.04 0.57 -0.03 0.00 0.09 0.00 0.00 178.44 179.10 1ire h ALA 187 N 1.47 1.79 0.00 1.53 0.00 -1.02 -1.49 119.26 121.54 1ire h ALA 187 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ire h ALA 187 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ire h ALA 187 CO 0.03 0.04 0.00 1.79 0.00 0.00 0.00 179.25 181.12 1ire h THR 188 N 0.00 0.00 0.00 0.00 1.35 -1.53 -2.38 112.91 110.35 1ire h THR 188 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1ire h THR 188 Cb 0.07 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1ire h THR 188 CO 0.00 0.00 -1.24 0.18 -0.25 0.00 0.00 175.52 174.21 1ire n LEU 189 N -2.50 0.54 -4.61 3.87 4.77 -0.56 -4.87 117.00 113.64 1ire n LEU 189 Ca 0.00 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1ire n LEU 189 Cb 0.18 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1ire n LEU 189 CO 0.19 -0.00 0.51 -0.69 -1.33 0.00 0.00 177.39 176.06 1ire s VAL 190 N -3.29 4.85 0.34 4.08 1.01 -0.90 -0.75 120.40 125.74 1ire s VAL 190 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1ire s VAL 190 Cb 0.13 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ire s VAL 190 CO 0.83 -0.22 0.16 0.42 0.00 0.00 0.00 175.10 176.29 1ire s THR 191 N 2.83 3.07 0.26 3.92 -4.23 -1.26 -4.89 115.64 115.32 1ire s THR 191 Ca 0.29 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 1ire s THR 191 Cb -0.14 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.93 1ire s THR 191 CO 0.13 -0.18 1.91 -0.09 -0.54 0.00 0.00 174.62 175.84 1ire h ARG 192 N 1.51 1.23 -0.46 3.99 2.43 -1.97 -2.28 114.38 118.83 1ire h ARG 192 Ca -0.44 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 58.58 1ire h ARG 192 Cb 1.25 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1ire h ARG 192 CO 0.63 0.86 0.10 0.93 -1.51 0.00 0.00 179.97 180.98 1ire h GLU 193 N 1.25 0.70 0.00 0.20 3.07 -1.95 -2.12 114.58 115.73 1ire h GLU 193 Ca 0.33 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1ire h GLU 193 Cb -0.06 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1ire h GLU 193 CO -0.06 0.64 -0.17 0.66 -1.40 0.00 0.00 179.01 178.68 1ire h SER 194 N 0.67 0.00 0.41 1.42 4.64 -1.48 -0.71 113.55 118.51 1ire h SER 194 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ire h SER 194 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ire h SER 194 CO -0.00 0.17 -0.62 0.23 -0.87 0.00 0.00 176.83 175.73 1ire n MET 195 N -3.37 0.02 -0.05 4.77 2.81 -0.84 -3.61 117.12 116.85 1ire n MET 195 Ca -0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1ire n MET 195 Cb 0.38 -1.51 -0.15 0.00 -0.71 0.00 0.00 33.22 31.23 1ire n MET 195 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ire n ILE 196 N -1.54 1.54 0.00 2.02 5.41 -0.94 -1.22 119.36 124.64 1ire n ILE 196 Ca 0.05 -0.81 0.00 0.00 1.00 0.00 0.00 62.75 62.99 1ire n ILE 196 Cb 0.34 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.39 1ire n ILE 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ire n GLY 197 N 1.64 0.66 0.05 7.39 0.00 -0.32 -0.82 105.19 113.79 1ire n GLY 197 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1ire n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ire n VAL 198 N -1.85 0.29 -3.75 1.61 0.24 -0.92 -4.65 118.33 109.31 1ire n VAL 198 Ca 0.00 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1ire n VAL 198 Cb 0.00 -0.52 -0.07 0.00 -1.47 0.00 0.00 33.84 31.77 1ire n VAL 198 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ire s GLU 199 N -3.05 0.80 0.78 7.34 2.02 -1.17 -4.79 118.70 120.63 1ire s GLU 199 Ca 0.12 -0.44 -0.09 0.00 0.02 0.00 0.00 54.97 54.58 1ire s GLU 199 Cb 0.16 0.35 0.11 0.00 0.10 0.00 0.00 34.13 34.84 1ire s GLU 199 CO 0.57 -0.25 1.11 -1.25 0.02 0.00 0.00 175.26 175.46 1ire s PRO 200 N -2.34 1.70 0.77 0.39 0.04 -1.26 -3.61 135.00 130.69 1ire s PRO 200 Ca -0.06 -0.38 -0.12 0.00 0.04 0.00 0.00 61.00 60.48 1ire s PRO 200 Cb -0.02 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1ire s PRO 200 CO -0.02 -1.61 1.13 0.00 0.04 0.00 0.00 177.00 176.54 1ire s ALA 201 N -3.43 2.12 0.16 8.56 0.00 -1.26 -4.58 121.76 123.33 1ire s ALA 201 Ca 0.65 0.50 -0.33 0.00 0.00 0.00 0.00 51.96 52.78 1ire s ALA 201 Cb -0.08 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 1ire s ALA 201 CO 0.47 -1.88 1.65 1.63 0.00 0.00 0.00 175.76 177.64 1ire n LYS 202 N -3.28 2.38 -1.45 0.00 5.02 0.07 -4.91 118.16 116.00 1ire n LYS 202 Ca 0.11 0.86 -0.30 0.00 -2.02 0.00 0.00 58.31 56.96 1ire n LYS 202 Cb 0.52 -2.66 0.11 0.00 -0.02 0.00 0.00 35.03 32.98 1ire n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ire s ALA 203 N 1.23 2.02 0.00 7.82 0.00 -1.26 -4.78 121.76 126.79 1ire s ALA 203 Ca 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1ire s ALA 203 Cb -0.62 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1ire s ALA 203 CO 0.37 -1.94 0.00 0.28 0.00 0.00 0.00 175.76 174.47