#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yho n GLY 2 N 0.00 1.08 3.23 7.63 0.00 -1.26 -5.07 105.19 110.81 1yho n GLY 2 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1yho n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yho s SER 3 N -2.45 4.96 -0.22 1.61 0.01 -1.26 -4.90 113.70 111.45 1yho s SER 3 Ca 0.00 -1.08 -0.06 0.00 1.31 0.00 0.00 55.95 56.12 1yho s SER 3 Cb 0.00 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 1yho s SER 3 CO 0.00 -0.25 0.03 -0.76 0.41 0.00 0.00 173.24 172.67 1yho s LEU 4 N 1.35 3.29 0.16 2.44 1.02 -1.26 -2.20 118.68 123.47 1yho s LEU 4 Ca -0.02 -0.23 0.11 0.00 0.02 0.00 0.00 54.13 54.01 1yho s LEU 4 Cb -0.19 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1yho s LEU 4 CO 0.00 0.01 -0.23 0.20 0.02 0.00 0.00 176.35 176.35 1yho s ASN 5 N 1.32 3.52 0.02 2.29 -0.87 0.55 -2.19 114.94 119.58 1yho s ASN 5 Ca 0.04 -0.76 0.02 0.00 -1.57 0.00 0.00 52.86 50.59 1yho s ASN 5 Cb -0.15 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.25 40.75 1yho s ASN 5 CO 0.02 0.15 -0.07 0.00 -2.57 0.00 0.00 177.10 174.63 1yho s ILE 7 N -0.82 -0.52 0.04 0.00 2.07 -0.97 0.10 121.20 121.10 1yho s ILE 7 Ca -0.04 0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 1yho s ILE 7 Cb -0.06 -0.79 0.02 0.00 0.13 0.00 0.00 42.46 41.76 1yho s ILE 7 CO 0.00 0.04 0.32 0.68 -1.91 0.00 0.00 174.94 174.07 1yho s VAL 8 N 2.31 0.07 -0.06 4.00 -7.23 0.98 -4.59 120.40 115.88 1yho s VAL 8 Ca -0.05 -0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1yho s VAL 8 Cb -0.10 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1yho s VAL 8 CO -0.15 -0.34 0.15 0.00 -0.31 0.00 0.00 175.10 174.45 1yho s ALA 9 N -2.37 3.89 0.00 1.32 0.00 -1.26 -1.58 121.76 121.76 1yho s ALA 9 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1yho s ALA 9 Cb -0.01 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1yho s ALA 9 CO -0.02 0.69 0.00 0.14 0.00 0.00 0.00 175.76 176.57 1yho s VAL 10 N -1.18 0.04 0.76 0.00 -7.23 0.25 -4.70 120.40 108.35 1yho s VAL 10 Ca 0.22 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 1yho s VAL 10 Cb -0.12 -0.12 0.05 0.00 0.56 0.00 0.00 36.38 36.74 1yho s VAL 10 CO 0.12 -0.19 1.12 -0.55 -0.31 0.00 0.00 175.10 175.29 1yho s SER 11 N -0.57 4.89 0.65 4.85 0.15 0.20 -1.10 113.70 122.77 1yho s SER 11 Ca -0.06 1.05 0.41 0.00 0.70 0.00 0.00 55.95 58.05 1yho s SER 11 Cb -0.04 -1.74 2.27 0.00 -1.71 0.00 0.00 66.02 64.80 1yho s SER 11 CO -0.00 -1.69 2.32 -0.61 1.20 0.00 0.00 173.24 174.46 1yho h GLN 12 N -0.90 0.00 -0.76 5.44 4.15 -1.37 0.12 115.11 121.79 1yho h GLN 12 Ca -0.46 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.85 1yho h GLN 12 Cb 1.28 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.91 1yho h GLN 12 CO 0.64 0.00 0.14 -1.71 -1.93 0.00 0.00 178.83 175.96 1yho n ASN 13 N -3.21 4.42 -2.61 -0.69 5.15 -1.26 -4.88 115.26 112.17 1yho n ASN 13 Ca -0.03 -2.87 -0.21 0.00 -0.60 0.00 0.00 54.58 50.87 1yho n ASN 13 Cb 0.10 -0.68 0.01 0.00 -0.53 0.00 0.00 39.78 38.67 1yho n ASN 13 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1yho n MET 14 N 0.14 -2.78 -4.43 1.20 2.81 0.03 -4.98 117.12 109.12 1yho n MET 14 Ca 0.29 0.97 -0.32 0.00 -1.81 0.00 0.00 57.70 56.82 1yho n MET 14 Cb 1.11 -5.70 -0.10 0.00 -0.71 0.00 0.00 33.22 27.82 1yho n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1yho s GLY 15 N -2.27 1.77 -0.04 3.03 0.00 -1.24 -2.82 107.32 105.75 1yho s GLY 15 Ca 0.10 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1yho s GLY 15 CO 0.13 -0.87 -0.02 0.29 0.00 0.00 0.00 173.10 172.63 1yho n ILE 16 N 1.54 0.25 -3.54 0.90 -6.64 -0.89 0.58 119.36 111.56 1yho n ILE 16 Ca -0.15 -0.11 -0.09 0.00 -1.77 0.00 0.00 62.75 60.63 1yho n ILE 16 Cb 0.53 -0.73 -0.03 0.00 -1.44 0.00 0.00 39.64 37.96 1yho n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1yho s GLY 17 N -4.13 -0.37 -0.15 3.28 0.00 -1.26 -4.33 107.32 100.36 1yho s GLY 17 Ca -0.05 1.47 -0.01 0.00 0.00 0.00 0.00 44.72 46.14 1yho s GLY 17 CO 0.12 0.62 -0.05 1.25 0.00 0.00 0.00 173.10 175.04 1yho s LYS 18 N -2.28 1.34 -1.66 2.90 2.20 0.23 -0.69 119.74 121.79 1yho s LYS 18 Ca 0.03 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1yho s LYS 18 Cb -0.01 -1.89 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1yho s LYS 18 CO -0.05 -0.42 0.00 -1.71 -0.36 0.00 0.00 175.35 172.82 1yho n ASN 19 N 4.91 -5.34 0.00 1.43 5.15 -1.26 -1.77 115.26 118.38 1yho n ASN 19 Ca -0.11 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1yho n ASN 19 Cb 0.48 -4.42 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yho n GLY 20 N -0.96 0.56 3.01 8.20 0.00 -1.26 -5.06 105.19 109.67 1yho n GLY 20 Ca -0.21 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 1yho n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yho s ASP 21 N -2.75 1.11 0.34 1.61 1.11 -0.73 -4.99 116.67 112.37 1yho s ASP 21 Ca 0.00 -0.17 -0.28 0.00 0.18 0.00 0.00 52.55 52.28 1yho s ASP 21 Cb 0.00 -0.22 -0.09 0.00 1.07 0.00 0.00 42.92 43.68 1yho s ASP 21 CO 0.00 0.08 1.20 -0.76 1.18 0.00 0.00 175.17 176.87 1yho s LEU 22 N 0.01 4.40 0.39 1.23 1.43 -1.26 0.75 118.68 125.62 1yho s LEU 22 Ca -0.00 2.44 0.10 0.00 -1.03 0.00 0.00 54.13 55.65 1yho s LEU 22 Cb -0.06 -3.76 0.88 0.00 0.03 0.00 0.00 46.19 43.28 1yho s LEU 22 CO 0.00 -0.45 1.94 -0.65 0.23 0.00 0.00 176.35 177.43 1yho h PRO 23 N 3.29 0.58 -6.18 1.29 0.11 -1.81 -3.42 132.00 125.85 1yho h PRO 23 Ca -0.48 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.02 1yho h PRO 23 Cb 1.22 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 1yho h PRO 23 CO 0.65 0.38 -0.56 1.67 -0.21 0.00 0.00 178.00 179.93 1yho s TRP 24 N -5.55 3.18 1.27 0.65 -2.14 -1.26 -4.78 118.94 110.31 1yho s TRP 24 Ca -0.09 0.00 -0.17 0.00 2.66 0.00 0.00 56.10 58.51 1yho s TRP 24 Cb 0.20 -1.53 0.32 0.00 -3.10 0.00 0.00 33.47 29.36 1yho s TRP 24 CO 0.77 0.52 0.99 -1.25 -2.66 0.00 0.00 176.95 175.31 1yho s PRO 25 N -3.06 -1.77 0.04 3.25 0.04 -1.26 -4.87 135.00 127.37 1yho s PRO 25 Ca 0.31 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1yho s PRO 25 Cb -0.10 -1.48 -0.09 0.00 0.04 0.00 0.00 34.50 32.87 1yho s PRO 25 CO 0.24 -4.21 1.95 -1.25 0.04 0.00 0.00 177.00 173.76 1yho s PRO 26 N -4.68 4.14 -0.27 0.56 0.04 -1.26 -4.97 135.00 128.56 1yho s PRO 26 Ca 0.69 2.59 -0.07 0.00 0.04 0.00 0.00 61.00 64.25 1yho s PRO 26 Cb -0.21 -4.12 -0.00 0.00 0.04 0.00 0.00 34.50 30.21 1yho s PRO 26 CO 0.62 -0.94 0.06 -1.17 0.04 0.00 0.00 177.00 175.61 1yho s LEU 27 N 4.34 3.60 0.21 -3.56 2.96 -1.26 -4.98 118.68 119.99 1yho s LEU 27 Ca 0.87 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1yho s LEU 27 Cb -0.42 -1.88 0.16 0.00 0.50 0.00 0.00 46.19 44.55 1yho s LEU 27 CO 0.41 -0.12 1.72 0.03 -1.32 0.00 0.00 176.35 177.07 1yho h ARG 28 N 8.22 1.07 -0.80 1.98 3.08 -1.99 -1.86 114.38 124.08 1yho h ARG 28 Ca -0.35 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 1yho h ARG 28 Cb 1.15 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 1yho h ARG 28 CO 0.60 0.97 0.44 -0.97 -1.07 0.00 0.00 179.97 179.93 1yho h ASN 29 N 1.01 0.99 -0.34 7.04 -1.24 -1.99 0.10 115.58 121.15 1yho h ASN 29 Ca 0.20 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 1yho h ASN 29 Cb 0.40 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1yho h ASN 29 CO 0.01 0.80 -0.10 -0.08 -1.29 0.00 0.00 177.43 176.77 1yho h GLU 30 N 1.10 0.67 -0.29 6.67 4.22 -1.93 -0.06 114.58 124.97 1yho h GLU 30 Ca 0.28 -0.26 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1yho h GLU 30 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1yho h GLU 30 CO -0.05 0.85 0.11 0.74 -2.18 0.00 0.00 179.01 178.48 1yho h PHE 31 N 0.46 0.45 -0.61 0.92 0.04 -1.08 -1.45 116.94 115.68 1yho h PHE 31 Ca 0.09 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 1yho h PHE 31 Cb 0.61 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1yho h PHE 31 CO 0.05 0.45 0.02 0.00 -0.60 0.00 0.00 178.31 178.24 1yho h ARG 32 N 0.32 1.06 -0.88 1.51 -0.00 -0.96 -1.37 114.38 114.07 1yho h ARG 32 Ca 0.10 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.98 59.23 1yho h ARG 32 Cb 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 29.97 30.02 1yho h ARG 32 CO -0.01 1.03 0.48 -0.92 0.00 0.00 0.00 179.97 180.55 1yho h TYR 33 N 0.96 1.21 -0.21 3.04 3.20 -0.83 0.37 116.97 124.70 1yho h TYR 33 Ca 0.18 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 1yho h TYR 33 Cb 0.53 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1yho h TYR 33 CO 0.04 0.83 -0.59 0.35 -1.64 0.00 0.00 178.16 177.15 1yho h PHE 34 N 1.23 0.89 0.06 -3.82 3.04 -1.06 -1.48 116.94 115.80 1yho h PHE 34 Ca 0.31 -0.33 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1yho h PHE 34 Cb 0.03 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.38 1yho h PHE 34 CO 0.01 1.12 -0.03 0.37 -2.02 0.00 0.00 178.31 177.76 1yho h GLN 35 N 0.53 -0.08 -0.58 1.11 4.15 -0.87 -2.18 115.11 117.19 1yho h GLN 35 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1yho h GLN 35 Cb 1.18 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 1yho h GLN 35 CO 0.12 0.45 0.34 0.07 -1.93 0.00 0.00 178.83 177.88 1yho h ARG 36 N -0.66 0.79 0.29 1.69 -0.00 -0.36 0.96 114.38 117.09 1yho h ARG 36 Ca -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 1yho h ARG 36 Cb 0.56 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1yho h ARG 36 CO 0.01 0.56 -0.14 0.52 -0.00 0.00 0.00 179.97 180.92 1yho h MET 37 N 0.80 -0.38 -0.27 0.08 2.86 -1.29 -0.96 114.93 115.77 1yho h MET 37 Ca 0.21 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1yho h MET 37 Cb -0.01 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1yho h MET 37 CO -0.04 -0.08 -0.01 1.79 1.06 0.00 0.00 176.91 179.63 1yho h THR 38 N -0.69 1.17 -0.28 2.22 1.35 -1.21 -2.43 112.91 113.03 1yho h THR 38 Ca -0.04 -0.68 -0.13 0.00 -0.55 0.00 0.00 66.41 65.01 1yho h THR 38 Cb 0.48 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1yho h THR 38 CO 0.07 0.23 -0.35 0.74 -0.25 0.00 0.00 175.52 175.96 1yho h THR 39 N 0.40 1.29 -1.95 6.82 2.02 -0.74 -3.41 112.91 117.34 1yho h THR 39 Ca 0.09 -1.49 -0.50 0.00 0.77 0.00 0.00 66.41 65.28 1yho h THR 39 Cb 0.28 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1yho h THR 39 CO 0.01 0.48 1.39 -0.89 0.37 0.00 0.00 175.52 176.87 1yho s THR 40 N -4.35 3.32 -0.20 3.16 2.01 -0.37 -4.96 115.64 114.24 1yho s THR 40 Ca -0.08 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 1yho s THR 40 Cb 0.13 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1yho s THR 40 CO 0.83 -0.79 0.27 -0.94 -0.69 0.00 0.00 174.62 173.30 1yho s SER 41 N 8.54 6.32 0.35 3.53 1.04 -1.26 -4.96 113.70 127.26 1yho s SER 41 Ca 0.71 0.37 0.09 0.00 0.48 0.00 0.00 55.95 57.60 1yho s SER 41 Cb -0.13 -2.17 0.64 0.00 0.10 0.00 0.00 66.02 64.46 1yho s SER 41 CO 0.22 0.04 1.81 0.77 0.98 0.00 0.00 173.24 177.05 1yho h SER 42 N 7.14 0.17 -3.04 7.02 4.64 -1.96 -3.42 113.55 124.10 1yho h SER 42 Ca -0.39 -0.05 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 1yho h SER 42 Cb 1.16 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.11 1yho h SER 42 CO 0.72 0.48 -0.45 0.68 -0.87 0.00 0.00 176.83 177.39 1yho s VAL 43 N -4.34 5.41 0.20 0.95 -7.23 -1.26 -5.09 120.40 109.04 1yho s VAL 43 Ca -0.04 0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 60.24 1yho s VAL 43 Cb 0.14 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.52 1yho s VAL 43 CO 0.75 0.50 0.65 -1.61 -0.31 0.00 0.00 175.10 175.08 1yho s GLU 44 N -0.18 4.13 0.00 4.82 2.02 -1.26 -3.96 118.70 124.26 1yho s GLU 44 Ca 0.13 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1yho s GLU 44 Cb -0.12 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1yho s GLU 44 CO 0.02 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.12 1yho n GLY 45 N 0.70 0.55 3.11 -1.39 0.00 -1.26 -5.04 105.19 101.87 1yho n GLY 45 Ca -0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1yho n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yho s LYS 46 N -0.74 0.66 0.25 1.61 3.01 -1.25 -4.86 119.74 118.41 1yho s LYS 46 Ca 0.00 -1.17 0.10 0.00 -1.01 0.00 0.00 55.97 53.89 1yho s LYS 46 Cb 0.00 0.24 -0.04 0.00 -1.01 0.00 0.00 37.83 37.01 1yho s LYS 46 CO 0.00 -0.14 -0.08 -0.65 0.51 0.00 0.00 175.35 174.99 1yho s GLN 47 N -3.91 2.07 -0.10 1.68 -0.21 0.12 -4.95 119.66 114.36 1yho s GLN 47 Ca 0.07 -1.48 -0.10 0.00 0.02 0.00 0.00 55.36 53.87 1yho s GLN 47 Cb 0.07 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 1yho s GLN 47 CO -0.10 0.37 0.23 -0.80 -2.12 0.00 0.00 175.29 172.87 1yho s ASN 48 N -3.43 6.48 -0.19 5.90 0.01 -1.26 -2.56 114.94 119.90 1yho s ASN 48 Ca 0.29 0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 52.97 1yho s ASN 48 Cb -0.07 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 1yho s ASN 48 CO 0.17 0.32 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.85 1yho s LEU 49 N -0.69 3.17 0.00 0.60 0.20 -0.94 -1.86 118.68 119.16 1yho s LEU 49 Ca 0.17 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.78 1yho s LEU 49 Cb -0.13 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 1yho s LEU 49 CO 0.06 0.07 0.01 0.68 -0.29 0.00 0.00 176.35 176.88 1yho s VAL 50 N 0.94 4.23 -0.15 1.68 -7.23 -0.17 -0.38 120.40 119.31 1yho s VAL 50 Ca 0.01 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1yho s VAL 50 Cb -0.14 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 1yho s VAL 50 CO 0.01 0.35 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.40 1yho s ILE 51 N -1.12 2.96 0.17 -0.62 1.01 0.01 -0.14 121.20 123.47 1yho s ILE 51 Ca 0.20 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1yho s ILE 51 Cb -0.12 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1yho s ILE 51 CO 0.11 0.51 -0.10 -0.04 0.00 0.00 0.00 174.94 175.42 1yho s MET 52 N 0.68 1.14 0.65 2.79 -1.94 0.80 -0.52 119.30 122.91 1yho s MET 52 Ca -0.06 -1.50 -0.06 0.00 -1.71 0.00 0.00 55.69 52.36 1yho s MET 52 Cb -0.15 -0.73 0.04 0.00 2.01 0.00 0.00 34.83 35.99 1yho s MET 52 CO 0.02 0.09 0.96 0.20 -0.01 0.00 0.00 175.02 176.28 1yho s GLY 53 N -3.21 1.66 0.14 -0.03 0.00 0.77 -1.87 107.32 104.77 1yho s GLY 53 Ca 0.19 -0.83 -0.15 0.00 0.00 0.00 0.00 44.72 43.92 1yho s GLY 53 CO 0.03 -0.48 1.71 1.70 0.00 0.00 0.00 173.10 176.05 1yho h LYS 54 N -0.41 0.64 -0.28 2.90 3.11 -1.91 -0.70 116.57 119.93 1yho h LYS 54 Ca -0.45 -0.10 -0.03 0.00 -2.81 0.00 0.00 60.65 57.26 1yho h LYS 54 Cb 1.29 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 1yho h LYS 54 CO 0.60 0.56 0.04 0.87 -2.81 0.00 0.00 179.45 178.72 1yho h LYS 55 N 0.56 0.46 -0.47 1.90 1.79 -1.94 -2.06 116.57 116.80 1yho h LYS 55 Ca 0.15 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1yho h LYS 55 Cb 0.15 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1yho h LYS 55 CO -0.02 0.57 0.30 1.15 -1.08 0.00 0.00 179.45 180.38 1yho h THR 56 N 0.27 1.09 -0.90 -0.16 2.02 -1.91 -0.29 112.91 113.04 1yho h THR 56 Ca 0.08 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1yho h THR 56 Cb 0.33 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1yho h THR 56 CO 0.01 0.11 0.57 -0.25 0.37 0.00 0.00 175.52 176.33 1yho h TRP 57 N 0.61 1.16 0.00 3.16 2.91 -1.04 -1.07 115.95 121.68 1yho h TRP 57 Ca 0.18 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 1yho h TRP 57 Cb -0.04 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 28.23 1yho h TRP 57 CO -0.05 0.75 -0.04 0.74 -1.03 0.00 0.00 178.44 178.81 1yho h PHE 58 N 1.23 0.00 0.00 2.65 -1.00 -0.82 -3.06 116.94 115.94 1yho h PHE 58 Ca 0.33 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.90 1yho h PHE 58 Cb -0.10 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 1yho h PHE 58 CO 0.00 0.04 -1.10 0.77 -1.61 0.00 0.00 178.31 176.41 1yho h SER 59 N 0.00 0.00 -3.55 2.17 0.02 0.13 -3.46 113.55 108.87 1yho h SER 59 Ca -0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1yho h SER 59 Cb 0.75 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.31 1yho h SER 59 CO 0.01 0.87 0.57 -0.63 -1.14 0.00 0.00 176.83 176.51 1yho s ILE 60 N -2.75 3.41 0.71 3.27 1.01 -0.58 -5.02 121.20 121.25 1yho s ILE 60 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 1yho s ILE 60 Cb 0.09 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.79 1yho s ILE 60 CO 0.81 0.22 1.07 -2.16 0.00 0.00 0.00 174.94 174.87 1yho s PRO 61 N -0.53 2.80 0.55 2.79 0.04 -1.26 -4.94 135.00 134.45 1yho s PRO 61 Ca 0.52 1.01 0.32 0.00 0.04 0.00 0.00 61.00 62.89 1yho s PRO 61 Cb -0.34 -1.97 1.56 0.00 0.04 0.00 0.00 34.50 33.79 1yho s PRO 61 CO 0.39 -1.21 2.08 0.93 0.04 0.00 0.00 177.00 179.23 1yho h GLU 62 N -0.76 0.00 -0.78 4.56 5.08 -1.95 -2.77 114.58 117.96 1yho h GLU 62 Ca -0.44 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1yho h GLU 62 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1yho h GLU 62 CO 0.56 0.08 0.52 0.87 -1.00 0.00 0.00 179.01 180.03 1yho h LYS 63 N 0.00 0.41 -0.27 2.33 6.56 -1.99 -0.31 116.57 123.29 1yho h LYS 63 Ca -0.00 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.45 1yho h LYS 63 Cb 0.36 -0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 31.86 1yho h LYS 63 CO 0.01 0.27 -0.11 0.09 -2.06 0.00 0.00 179.45 177.65 1yho n ASN 64 N -4.48 2.60 -3.84 0.86 3.02 -1.05 -4.98 115.26 107.40 1yho n ASN 64 Ca 0.15 -3.62 -0.13 0.00 -0.03 0.00 0.00 54.58 50.95 1yho n ASN 64 Cb 0.56 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 1yho n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1yho s ARG 65 N -3.15 0.01 0.55 3.52 0.52 -0.13 -3.28 118.95 116.99 1yho s ARG 65 Ca 0.42 0.06 -0.20 0.00 -0.52 0.00 0.00 55.73 55.49 1yho s ARG 65 Cb 0.38 -0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 1yho s ARG 65 CO 0.01 -0.06 1.20 -1.25 0.02 0.00 0.00 175.30 175.22 1yho s PRO 66 N 0.38 3.24 -0.85 3.54 0.04 -1.26 -4.78 135.00 135.31 1yho s PRO 66 Ca -0.03 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 1yho s PRO 66 Cb -0.05 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1yho s PRO 66 CO -0.01 -0.99 1.48 -1.17 0.04 0.00 0.00 177.00 176.35 1yho s LEU 67 N -3.71 3.31 0.73 -3.56 1.98 -1.20 -4.99 118.68 111.23 1yho s LEU 67 Ca 0.73 -0.78 -0.15 0.00 -2.89 0.00 0.00 54.13 51.04 1yho s LEU 67 Cb -0.30 -2.56 0.04 0.00 0.66 0.00 0.00 46.19 44.03 1yho s LEU 67 CO 0.34 -1.86 1.20 -0.54 -1.89 0.00 0.00 176.35 173.60 1yho s LYS 68 N 5.72 2.18 0.00 1.98 3.01 -1.26 -3.21 119.74 128.16 1yho s LYS 68 Ca 0.46 1.74 0.00 0.00 -1.01 0.00 0.00 55.97 57.16 1yho s LYS 68 Cb -0.05 -1.84 0.00 0.00 -1.01 0.00 0.00 37.83 34.93 1yho s LYS 68 CO 0.04 -1.80 0.00 0.41 0.51 0.00 0.00 175.35 174.51 1yho n GLY 69 N 0.34 3.01 3.00 -3.33 0.00 -1.26 -4.99 105.19 101.95 1yho n GLY 69 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1yho n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yho s ARG 70 N -0.19 0.33 -0.11 1.61 1.70 -1.20 -4.64 118.95 116.46 1yho s ARG 70 Ca 0.00 -0.60 -0.28 0.00 -0.47 0.00 0.00 55.73 54.38 1yho s ARG 70 Cb 0.00 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1yho s ARG 70 CO 0.00 -0.06 0.93 0.42 -1.08 0.00 0.00 175.30 175.51 1yho s ILE 71 N -1.50 4.84 -0.30 4.99 1.01 -0.78 -4.75 121.20 124.72 1yho s ILE 71 Ca -0.15 1.88 -0.15 0.00 0.00 0.00 0.00 60.65 62.23 1yho s ILE 71 Cb -0.09 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1yho s ILE 71 CO -0.01 0.05 0.35 0.20 0.00 0.00 0.00 174.94 175.53 1yho s ASN 72 N 1.08 6.20 -0.12 3.58 -0.87 -1.26 -1.00 114.94 122.54 1yho s ASN 72 Ca 0.45 0.07 0.01 0.00 -1.57 0.00 0.00 52.86 51.82 1yho s ASN 72 Cb -0.18 -2.20 -0.01 0.00 -0.02 0.00 0.00 41.25 38.84 1yho s ASN 72 CO 0.17 -0.23 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.11 1yho s LEU 73 N 2.03 2.63 0.01 0.60 0.20 0.81 -0.74 118.68 124.21 1yho s LEU 73 Ca 0.13 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.64 1yho s LEU 73 Cb -0.16 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 1yho s LEU 73 CO 0.11 0.19 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.60 1yho s VAL 74 N 0.22 3.65 -0.32 1.68 1.01 -0.41 -0.14 120.40 126.09 1yho s VAL 74 Ca -0.10 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1yho s VAL 74 Cb -0.16 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1yho s VAL 74 CO 0.06 0.38 0.12 -0.76 0.00 0.00 0.00 175.10 174.90 1yho s LEU 75 N -1.45 4.17 -0.09 3.92 2.01 -0.78 -1.52 118.68 124.93 1yho s LEU 75 Ca 0.17 -0.86 -0.07 0.00 0.01 0.00 0.00 54.13 53.38 1yho s LEU 75 Cb -0.11 -1.92 0.03 0.00 0.01 0.00 0.00 46.19 44.20 1yho s LEU 75 CO 0.08 -0.27 0.23 -0.55 1.01 0.00 0.00 176.35 176.86 1yho s SER 76 N 1.49 -0.25 -0.20 2.29 0.15 -0.80 -4.00 113.70 112.38 1yho s SER 76 Ca 0.01 0.48 0.16 0.00 0.70 0.00 0.00 55.95 57.31 1yho s SER 76 Cb -0.18 0.45 -0.24 0.00 -1.71 0.00 0.00 66.02 64.34 1yho s SER 76 CO 0.04 -0.11 0.04 -1.14 1.20 0.00 0.00 173.24 173.26 1yho n ARG 77 N 3.39 0.72 0.06 5.44 0.63 -1.26 -3.87 116.66 121.77 1yho n ARG 77 Ca -0.17 0.01 -0.16 0.00 -0.92 0.00 0.00 57.85 56.61 1yho n ARG 77 Cb 0.57 -1.51 -0.07 0.00 0.45 0.00 0.00 32.46 31.89 1yho n ARG 77 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1yho h GLU 78 N 0.00 0.51 -6.89 -0.14 3.07 -1.96 -3.45 114.58 105.72 1yho h GLU 78 Ca -0.55 -0.56 -0.51 0.00 -0.50 0.00 0.00 59.36 57.25 1yho h GLU 78 Cb 2.20 0.16 0.04 0.00 -0.84 0.00 0.00 28.75 30.31 1yho h GLU 78 CO 0.02 1.19 0.51 -0.51 -1.40 0.00 0.00 179.01 178.82 1yho s LEU 79 N -7.85 4.34 -0.20 1.33 1.43 -1.26 -4.96 118.68 111.51 1yho s LEU 79 Ca -0.07 2.36 0.17 0.00 -1.03 0.00 0.00 54.13 55.56 1yho s LEU 79 Cb 0.08 -3.85 -0.24 0.00 0.03 0.00 0.00 46.19 42.21 1yho s LEU 79 CO 0.89 -0.47 0.06 1.17 0.23 0.00 0.00 176.35 178.22 1yho n LYS 80 N 0.53 0.79 -4.61 1.70 3.00 -1.26 -4.95 118.16 113.36 1yho n LYS 80 Ca 0.02 -0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.06 1yho n LYS 80 Cb 0.45 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.84 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1yho s GLU 81 N -2.47 1.42 0.17 1.64 2.02 -1.26 -5.11 118.70 115.12 1yho s GLU 81 Ca -0.10 -1.05 -0.33 0.00 0.02 0.00 0.00 54.97 53.50 1yho s GLU 81 Cb 0.06 -1.61 -0.14 0.00 0.10 0.00 0.00 34.13 32.54 1yho s GLU 81 CO 0.79 0.40 1.47 -2.30 0.02 0.00 0.00 175.26 175.65 1yho n PRO 82 N 1.62 1.92 -1.19 0.39 -0.02 -1.26 -4.92 135.00 131.53 1yho n PRO 82 Ca -0.18 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 1yho n PRO 82 Cb 0.53 -2.39 0.10 0.00 -0.02 0.00 0.00 33.50 31.71 1yho n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yho n PRO 83 N 2.78 0.26 -1.73 0.52 -0.02 -1.26 -4.86 135.00 130.70 1yho n PRO 83 Ca 0.15 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1yho n PRO 83 Cb 0.28 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1yho n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1yho s GLN 84 N -3.38 4.14 0.00 -0.52 0.74 -1.26 -1.58 119.66 117.80 1yho s GLN 84 Ca 0.69 2.57 0.00 0.00 0.05 0.00 0.00 55.36 58.66 1yho s GLN 84 Cb -0.32 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.01 1yho s GLN 84 CO 0.55 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 1yho n GLY 85 N 4.31 3.15 3.78 2.59 0.00 -1.26 -5.03 105.19 112.72 1yho n GLY 85 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1yho n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yho s ALA 86 N -2.89 3.16 0.03 4.61 0.00 -0.62 -4.55 121.76 121.49 1yho s ALA 86 Ca 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 1yho s ALA 86 Cb 0.00 -3.27 -0.27 0.00 0.00 0.00 0.00 23.12 19.58 1yho s ALA 86 CO 0.00 -0.17 1.09 0.45 0.00 0.00 0.00 175.76 177.13 1yho h HIS 87 N 2.80 0.85 -3.11 0.00 3.86 -1.24 -3.46 115.15 114.85 1yho h HIS 87 Ca -0.48 -0.51 -0.07 0.00 -1.16 0.00 0.00 60.37 58.16 1yho h HIS 87 Cb 1.21 -0.08 -0.15 0.00 1.06 0.00 0.00 27.41 29.45 1yho h HIS 87 CO 0.58 1.35 -0.07 -0.06 0.86 0.00 0.00 177.93 180.60 1yho s PHE 88 N -3.03 -0.27 -0.03 2.45 0.08 -0.98 -5.00 117.98 111.21 1yho s PHE 88 Ca -0.11 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.11 1yho s PHE 88 Cb 0.05 0.25 0.01 0.00 -0.57 0.00 0.00 43.02 42.76 1yho s PHE 88 CO 0.89 -0.63 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.14 1yho s LEU 89 N -2.26 1.70 -0.01 -0.37 2.96 -1.26 -1.28 118.68 118.14 1yho s LEU 89 Ca -0.03 -0.14 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1yho s LEU 89 Cb 0.00 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 1yho s LEU 89 CO -0.06 0.03 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.20 1yho s SER 90 N 0.34 2.92 0.13 3.68 0.15 -0.58 -4.90 113.70 115.44 1yho s SER 90 Ca -0.05 -0.46 -0.10 0.00 0.70 0.00 0.00 55.95 56.04 1yho s SER 90 Cb -0.09 -0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 63.82 1yho s SER 90 CO 0.00 0.30 1.38 -0.09 1.20 0.00 0.00 173.24 176.03 1yho h ARG 91 N 5.47 0.78 -4.40 5.44 2.43 -1.89 -2.13 114.38 120.07 1yho h ARG 91 Ca -0.42 -0.56 -0.18 0.00 -0.81 0.00 0.00 59.98 58.01 1yho h ARG 91 Cb 1.13 0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.62 1yho h ARG 91 CO 0.47 1.18 -0.65 -1.54 -1.51 0.00 0.00 179.97 177.92 1yho s SER 92 N -7.02 0.33 0.40 -3.80 1.04 -1.26 -4.18 113.70 99.20 1yho s SER 92 Ca -0.10 -1.18 0.07 0.00 0.48 0.00 0.00 55.95 55.21 1yho s SER 92 Cb 0.10 0.29 0.81 0.00 0.10 0.00 0.00 66.02 67.31 1yho s SER 92 CO 0.89 -0.72 2.03 0.25 0.98 0.00 0.00 173.24 176.67 1yho h LEU 93 N 2.89 0.48 -0.50 2.42 5.85 -1.98 -2.24 115.31 122.23 1yho h LEU 93 Ca -0.35 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1yho h LEU 93 Cb 1.19 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1yho h LEU 93 CO 0.60 0.38 0.13 -0.78 -0.34 0.00 0.00 178.44 178.43 1yho h ASP 94 N 0.55 0.75 -0.15 1.25 1.82 -1.99 -1.77 116.42 116.89 1yho h ASP 94 Ca 0.14 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1yho h ASP 94 Cb 0.01 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1yho h ASP 94 CO -0.02 0.78 0.07 -0.78 -1.61 0.00 0.00 179.24 177.67 1yho h ASP 95 N 0.69 0.20 -0.34 2.28 1.82 -1.83 -1.88 116.42 117.35 1yho h ASP 95 Ca 0.16 -0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1yho h ASP 95 Cb 0.31 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1yho h ASP 95 CO -0.00 0.28 0.23 0.00 -1.61 0.00 0.00 179.24 178.13 1yho h ALA 96 N 0.93 1.77 -0.30 -0.78 0.00 -1.35 -1.76 119.26 117.77 1yho h ALA 96 Ca 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1yho h ALA 96 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yho h ALA 96 CO -0.01 0.21 -0.40 -0.07 0.00 0.00 0.00 179.25 178.99 1yho h LEU 97 N 0.45 0.77 -0.40 0.00 3.38 -0.93 -2.18 115.31 116.40 1yho h LEU 97 Ca 0.13 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1yho h LEU 97 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1yho h LEU 97 CO -0.03 1.07 0.08 0.50 0.09 0.00 0.00 178.44 180.16 1yho h LYS 98 N 0.59 0.64 -0.16 1.13 1.63 -0.53 0.60 116.57 120.47 1yho h LYS 98 Ca 0.05 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1yho h LYS 98 Cb 0.94 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1yho h LYS 98 CO 0.09 0.68 0.05 -0.07 -3.45 0.00 0.00 179.45 176.75 1yho h LEU 99 N 0.50 0.24 -1.60 5.20 4.07 -1.39 0.37 115.31 122.69 1yho h LEU 99 Ca 0.12 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1yho h LEU 99 Cb 0.33 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1yho h LEU 99 CO 0.00 0.37 -0.15 0.74 -1.08 0.00 0.00 178.44 178.32 1yho h THR 100 N 0.09 0.51 0.00 0.22 2.02 -1.33 -2.42 112.91 111.99 1yho h THR 100 Ca 0.05 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1yho h THR 100 Cb 0.22 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1yho h THR 100 CO -0.00 0.15 -0.68 -0.08 0.37 0.00 0.00 175.52 175.28 1yho h GLU 101 N 0.00 0.00 -7.08 6.66 4.81 -0.48 -3.38 114.58 115.12 1yho h GLU 101 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1yho h GLU 101 Cb 0.50 0.00 0.12 0.00 0.63 0.00 0.00 28.75 30.00 1yho h GLU 101 CO 0.02 0.04 0.50 -0.65 -0.73 0.00 0.00 179.01 178.19 1yho s GLN 102 N -3.27 3.04 0.36 1.92 -0.21 0.09 -4.81 119.66 116.79 1yho s GLN 102 Ca 0.02 1.91 0.16 0.00 0.02 0.00 0.00 55.36 57.47 1yho s GLN 102 Cb 0.08 -2.02 0.69 0.00 1.00 0.00 0.00 33.01 32.76 1yho s GLN 102 CO 0.75 -1.17 1.77 -1.00 -2.12 0.00 0.00 175.29 173.52 1yho h PRO 103 N 1.07 0.00 -0.07 2.91 0.13 -1.90 0.35 132.00 134.49 1yho h PRO 103 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1yho h PRO 103 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1yho h PRO 103 CO 0.56 0.40 -0.32 1.49 -0.23 0.00 0.00 178.00 179.90 1yho h GLU 104 N 0.00 0.13 0.00 0.86 4.81 -1.91 -3.14 114.58 115.32 1yho h GLU 104 Ca -0.00 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 1yho h GLU 104 Cb 0.82 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 1yho h GLU 104 CO 0.05 0.44 -2.26 1.28 -0.73 0.00 0.00 179.01 177.79 1yho n LEU 105 N -4.13 0.00 0.23 1.64 4.32 -1.11 -4.33 117.00 113.61 1yho n LEU 105 Ca -0.01 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.15 1yho n LEU 105 Cb 0.39 0.42 0.86 0.00 -1.62 0.00 0.00 43.42 43.47 1yho n LEU 105 CO 0.39 0.42 1.15 0.00 -1.22 0.00 0.00 177.39 178.14 1yho h ALA 106 N 1.01 1.69 -0.03 -1.18 0.00 -0.28 0.61 119.26 121.08 1yho h ALA 106 Ca -0.46 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1yho h ALA 106 Cb 2.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1yho h ALA 106 CO 0.03 -0.30 -0.55 -0.97 0.00 0.00 0.00 179.25 177.45 1yho h ASN 107 N 0.00 0.10 0.04 0.00 -1.24 -1.74 -3.29 115.58 109.46 1yho h ASN 107 Ca 0.08 -0.05 -0.37 0.00 0.71 0.00 0.00 56.30 56.66 1yho h ASN 107 Cb 0.51 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.47 1yho h ASN 107 CO -0.00 0.63 -2.35 0.29 -1.29 0.00 0.00 177.43 174.71 1yho n LYS 108 N -3.89 0.67 -4.32 6.67 5.02 0.28 -4.71 118.16 117.89 1yho n LYS 108 Ca -0.02 0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 56.08 1yho n LYS 108 Cb 0.57 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 1yho n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yho s VAL 109 N -2.52 3.64 0.09 -0.18 1.01 0.19 0.14 120.40 122.78 1yho s VAL 109 Ca -0.23 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1yho s VAL 109 Cb 0.08 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1yho s VAL 109 CO 0.71 0.25 0.00 -0.67 0.00 0.00 0.00 175.10 175.39 1yho n ASP 110 N 1.08 0.27 -4.64 3.32 2.03 -1.06 -4.13 116.55 113.42 1yho n ASP 110 Ca -0.14 0.15 -0.30 0.00 0.52 0.00 0.00 54.79 55.02 1yho n ASP 110 Cb 0.52 -0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.83 1yho n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1yho s MET 111 N -1.50 2.44 -0.03 -0.67 -1.94 -1.26 -4.43 119.30 111.90 1yho s MET 111 Ca 0.00 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1yho s MET 111 Cb 0.00 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 1yho s MET 111 CO 0.00 0.54 -0.05 0.54 -0.01 0.00 0.00 175.02 176.04 1yho s VAL 112 N -1.23 3.78 -0.12 -6.03 0.11 -0.94 -2.22 120.40 113.76 1yho s VAL 112 Ca 0.23 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1yho s VAL 112 Cb -0.11 -2.61 0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1yho s VAL 112 CO 0.15 0.48 -0.19 0.26 -3.33 0.00 0.00 175.10 172.48 1yho s TRP 113 N -0.93 2.29 -0.22 1.54 0.52 0.49 -0.33 118.94 122.29 1yho s TRP 113 Ca 0.15 -1.09 -0.26 0.00 0.02 0.00 0.00 56.10 54.91 1yho s TRP 113 Cb -0.11 -1.59 -0.00 0.00 -1.15 0.00 0.00 33.47 30.61 1yho s TRP 113 CO 0.05 -0.52 0.91 0.42 0.02 0.00 0.00 176.95 177.83 1yho s ILE 114 N 0.86 4.78 -0.25 2.03 -1.09 0.25 -0.81 121.20 126.97 1yho s ILE 114 Ca -0.08 1.76 -0.17 0.00 -2.23 0.00 0.00 60.65 59.93 1yho s ILE 114 Cb -0.15 -4.20 -0.14 0.00 -1.58 0.00 0.00 42.46 36.38 1yho s ILE 114 CO -0.01 -0.09 -0.15 0.52 -1.23 0.00 0.00 174.94 173.98 1yho n VAL 115 N 5.18 1.53 0.00 2.92 0.31 0.33 -2.29 118.33 126.31 1yho n VAL 115 Ca 0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1yho n VAL 115 Cb 0.47 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1yho n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yho n GLY 116 N 1.32 0.41 0.00 2.92 0.00 -1.15 -4.78 105.19 103.91 1yho n GLY 116 Ca -0.46 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1yho n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yho n GLY 117 N -0.55 2.07 0.32 -0.02 0.00 -1.26 -0.16 105.19 105.58 1yho n GLY 117 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 1yho n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1yho h SER 118 N 0.00 0.90 -0.49 1.61 0.02 -1.98 -2.33 113.55 111.28 1yho h SER 118 Ca 0.00 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1yho h SER 118 Cb 0.00 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1yho h SER 118 CO 0.00 0.85 0.27 -1.28 -1.14 0.00 0.00 176.83 175.54 1yho h SER 119 N 0.93 0.43 -0.72 3.07 0.87 -1.99 0.19 113.55 116.32 1yho h SER 119 Ca 0.21 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1yho h SER 119 Cb 0.28 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1yho h SER 119 CO -0.01 0.30 0.19 0.58 -0.53 0.00 0.00 176.83 177.36 1yho h VAL 120 N 0.54 1.26 -0.47 2.23 2.07 -1.78 -2.50 116.25 117.60 1yho h VAL 120 Ca 0.21 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1yho h VAL 120 Cb 0.07 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1yho h VAL 120 CO -0.12 0.37 -0.15 1.88 0.02 0.00 0.00 177.57 179.58 1yho h TYR 121 N 1.08 1.01 0.19 1.57 0.05 -0.87 -1.57 116.97 118.43 1yho h TYR 121 Ca 0.23 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1yho h TYR 121 Cb 0.36 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 1yho h TYR 121 CO 0.03 0.98 -0.12 -0.22 -1.05 0.00 0.00 178.16 177.78 1yho h LYS 122 N 0.80 -0.28 -0.63 4.88 1.63 -0.39 0.62 116.57 123.19 1yho h LYS 122 Ca 0.12 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1yho h LYS 122 Cb 0.68 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.35 1yho h LYS 122 CO 0.05 -0.19 0.16 0.93 -3.45 0.00 0.00 179.45 176.95 1yho h GLU 123 N -0.29 0.99 0.00 1.90 5.08 -1.43 -2.53 114.58 118.30 1yho h GLU 123 Ca -0.02 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1yho h GLU 123 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1yho h GLU 123 CO 0.02 0.88 -0.55 0.00 -1.00 0.00 0.00 179.01 178.35 1yho h ALA 124 N 1.22 0.99 0.00 3.43 0.00 -1.00 -2.88 119.26 121.02 1yho h ALA 124 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1yho h ALA 124 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yho h ALA 124 CO -0.00 0.69 0.00 0.52 0.00 0.00 0.00 179.25 180.46 1yho h MET 125 N 0.00 0.00 -0.74 0.00 2.86 0.69 -1.80 114.93 115.95 1yho h MET 125 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1yho h MET 125 Cb 1.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1yho h MET 125 CO 0.07 0.00 0.04 0.09 1.06 0.00 0.00 176.91 178.17 1yho n ASN 126 N -2.47 4.24 -4.76 1.22 4.13 -1.09 -4.92 115.26 111.62 1yho n ASN 126 Ca -0.00 -2.69 -0.39 0.00 1.68 0.00 0.00 54.58 53.18 1yho n ASN 126 Cb 0.14 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.68 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1yho s HIS 127 N -2.23 3.67 0.08 3.10 3.76 -0.68 -4.99 115.29 118.00 1yho s HIS 127 Ca 0.38 1.21 -0.10 0.00 -0.15 0.00 0.00 55.06 56.39 1yho s HIS 127 Cb 0.29 -2.63 -0.24 0.00 1.11 0.00 0.00 32.58 31.12 1yho s HIS 127 CO 0.11 0.32 1.17 -1.00 -0.85 0.00 0.00 174.74 174.48 1yho h PRO 128 N 5.77 0.52 -7.24 8.40 0.13 -1.91 -3.47 132.00 134.20 1yho h PRO 128 Ca -0.45 -0.67 -0.46 0.00 -0.87 0.00 0.00 66.00 63.55 1yho h PRO 128 Cb 1.20 0.22 0.19 0.00 0.13 0.00 0.00 31.00 32.74 1yho h PRO 128 CO 0.70 1.28 0.12 0.20 -0.23 0.00 0.00 178.00 180.07 1yho s GLY 129 N -4.46 1.58 0.38 1.56 0.00 -1.26 -4.71 107.32 100.41 1yho s GLY 129 Ca -0.08 -0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.28 1yho s GLY 129 CO 0.91 0.54 1.46 0.30 0.00 0.00 0.00 173.10 176.31 1yho s HIS 130 N -2.67 2.61 -0.07 1.90 3.76 -1.26 -4.87 115.29 114.68 1yho s HIS 130 Ca 0.67 1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 56.74 1yho s HIS 130 Cb -0.22 -3.97 0.03 0.00 1.11 0.00 0.00 32.58 29.52 1yho s HIS 130 CO 0.61 -2.87 0.17 -1.17 -0.85 0.00 0.00 174.74 170.63 1yho s LEU 131 N -2.16 0.95 -0.11 0.89 2.96 -1.24 -4.38 118.68 115.58 1yho s LEU 131 Ca 0.53 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.74 1yho s LEU 131 Cb -0.45 0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 1yho s LEU 131 CO 0.61 -0.11 0.12 -0.54 -1.32 0.00 0.00 176.35 175.11 1yho s LYS 132 N 0.72 3.38 -0.09 1.98 1.02 -0.93 -1.64 119.74 124.18 1yho s LYS 132 Ca -0.05 -0.17 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 1yho s LYS 132 Cb -0.07 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1yho s LYS 132 CO -0.04 0.77 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.93 1yho s LEU 133 N -1.04 1.12 -0.24 3.17 0.20 0.76 0.53 118.68 123.18 1yho s LEU 133 Ca 0.15 -0.23 -0.06 0.00 0.69 0.00 0.00 54.13 54.68 1yho s LEU 133 Cb -0.12 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 44.92 1yho s LEU 133 CO 0.04 -0.11 0.02 -0.36 -0.29 0.00 0.00 176.35 175.65 1yho s PHE 134 N 1.54 3.03 -0.05 5.38 0.40 0.28 0.44 117.98 129.00 1yho s PHE 134 Ca 0.01 -0.68 0.05 0.00 -0.60 0.00 0.00 56.93 55.71 1yho s PHE 134 Cb -0.13 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1yho s PHE 134 CO -0.05 -0.45 -0.20 0.14 0.70 0.00 0.00 175.22 175.35 1yho s VAL 135 N 1.55 2.52 -0.18 -0.44 -7.23 -0.47 -0.02 120.40 116.12 1yho s VAL 135 Ca 0.06 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.29 1yho s VAL 135 Cb -0.15 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1yho s VAL 135 CO 0.00 0.58 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.42 1yho s THR 136 N -0.43 3.45 -0.29 5.32 2.01 -0.61 -0.76 115.64 124.32 1yho s THR 136 Ca 0.04 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 1yho s THR 136 Cb -0.12 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1yho s THR 136 CO 0.02 0.46 0.35 -0.60 -0.69 0.00 0.00 174.62 174.16 1yho s ARG 137 N 0.92 3.89 -0.32 4.92 3.52 -0.51 0.87 118.95 132.24 1yho s ARG 137 Ca -0.01 -0.12 -0.14 0.00 -0.13 0.00 0.00 55.73 55.33 1yho s ARG 137 Cb -0.15 -3.70 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 1yho s ARG 137 CO 0.01 -0.34 0.33 0.42 -0.81 0.00 0.00 175.30 174.91 1yho s ILE 138 N 2.03 5.20 -1.32 4.11 -1.09 -0.26 -0.83 121.20 129.05 1yho s ILE 138 Ca 0.13 0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 58.50 1yho s ILE 138 Cb -0.16 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1yho s ILE 138 CO 0.11 0.00 1.92 0.80 -1.23 0.00 0.00 174.94 176.53 1yho n MET 139 N 5.31 2.91 -3.64 2.79 1.56 -0.48 -1.24 117.12 124.31 1yho n MET 139 Ca -0.10 -2.95 -0.04 0.00 -0.27 0.00 0.00 57.70 54.35 1yho n MET 139 Cb 0.50 -3.42 -0.07 0.00 2.15 0.00 0.00 33.22 32.38 1yho n MET 139 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1yho s GLN 140 N 4.08 0.45 -0.07 2.12 2.00 -1.26 -4.46 119.66 122.52 1yho s GLN 140 Ca 0.53 0.76 -0.30 0.00 -2.00 0.00 0.00 55.36 54.35 1yho s GLN 140 Cb 0.07 0.10 -0.02 0.00 0.80 0.00 0.00 33.01 33.96 1yho s GLN 140 CO 0.03 -0.09 1.08 -0.51 -0.50 0.00 0.00 175.29 175.30 1yho s ASP 141 N 1.33 7.18 0.10 6.67 1.11 -1.26 -4.35 116.67 127.44 1yho s ASP 141 Ca -0.08 1.68 -0.15 0.00 0.18 0.00 0.00 52.55 54.17 1yho s ASP 141 Cb -0.04 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.42 1yho s ASP 141 CO -0.15 -0.48 0.37 -0.36 1.18 0.00 0.00 175.17 175.73 1yho s PHE 142 N 1.91 -0.16 -0.14 4.23 0.08 -1.26 -5.08 117.98 117.56 1yho s PHE 142 Ca 0.52 -0.10 -0.29 0.00 0.12 0.00 0.00 56.93 57.18 1yho s PHE 142 Cb -0.22 0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.42 1yho s PHE 142 CO 0.21 -0.64 1.04 -1.21 -0.10 0.00 0.00 175.22 174.52 1yho s GLU 143 N -3.42 4.36 0.06 0.44 2.02 -1.26 -4.94 118.70 115.96 1yho s GLU 143 Ca 0.01 1.41 0.05 0.00 0.02 0.00 0.00 54.97 56.46 1yho s GLU 143 Cb 0.01 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 1yho s GLU 143 CO -0.09 -0.43 -0.15 -1.12 0.02 0.00 0.00 175.26 173.49 1yho s SER 144 N 1.18 1.74 -0.15 -0.19 0.01 -1.26 -4.59 113.70 110.44 1yho s SER 144 Ca 0.48 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 1yho s SER 144 Cb -0.18 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.88 1yho s SER 144 CO 0.15 -0.02 -0.15 -0.67 0.41 0.00 0.00 173.24 172.96 1yho n ASP 145 N 1.54 2.35 -4.60 2.44 2.03 -0.90 -4.93 116.55 114.49 1yho n ASP 145 Ca -0.20 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.70 1yho n ASP 145 Cb 0.54 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1yho s THR 146 N -2.29 4.93 0.07 5.18 2.01 0.13 -5.01 115.64 120.66 1yho s THR 146 Ca -0.20 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.72 1yho s THR 146 Cb 0.06 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1yho s THR 146 CO 0.32 -0.14 0.13 -0.36 -0.69 0.00 0.00 174.62 173.87 1yho s PHE 147 N 2.63 3.31 0.14 4.92 0.40 -1.26 -2.09 117.98 126.04 1yho s PHE 147 Ca 0.26 0.14 -0.21 0.00 -0.60 0.00 0.00 56.93 56.52 1yho s PHE 147 Cb -0.15 -1.68 -0.07 0.00 0.51 0.00 0.00 43.02 41.63 1yho s PHE 147 CO 0.12 0.55 0.67 0.12 0.70 0.00 0.00 175.22 177.38 1yho s PHE 148 N -1.42 3.80 0.54 0.36 5.36 -1.13 -4.99 117.98 120.50 1yho s PHE 148 Ca 0.31 1.42 -0.20 0.00 -0.96 0.00 0.00 56.93 57.50 1yho s PHE 148 Cb -0.12 -2.61 -0.06 0.00 -0.34 0.00 0.00 43.02 39.89 1yho s PHE 148 CO 0.24 0.50 1.16 -1.25 -1.46 0.00 0.00 175.22 174.41 1yho s PRO 149 N -1.35 3.32 -0.11 10.12 0.04 -1.26 -4.94 135.00 140.82 1yho s PRO 149 Ca 0.35 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1yho s PRO 149 Cb -0.20 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1yho s PRO 149 CO 0.22 -0.89 1.69 -2.00 0.04 0.00 0.00 177.00 176.06 1yho s GLU 150 N -3.21 4.00 0.09 4.56 2.56 -1.26 -4.96 118.70 120.48 1yho s GLU 150 Ca 0.73 2.04 -0.30 0.00 0.00 0.00 0.00 54.97 57.43 1yho s GLU 150 Cb -0.26 -4.03 -0.06 0.00 2.00 0.00 0.00 34.13 31.78 1yho s GLU 150 CO 0.30 -1.06 1.11 0.42 -0.56 0.00 0.00 175.26 175.46 1yho s ILE 151 N 4.66 4.18 -0.34 -3.70 1.01 -1.26 -4.97 121.20 120.78 1yho s ILE 151 Ca 0.75 1.67 -0.29 0.00 0.00 0.00 0.00 60.65 62.78 1yho s ILE 151 Cb -0.31 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 1yho s ILE 151 CO 0.30 0.19 1.67 -1.81 0.00 0.00 0.00 174.94 175.30 1yho s ASP 152 N 0.61 6.07 0.49 3.58 1.11 -1.26 -4.86 116.67 122.42 1yho s ASP 152 Ca 0.54 1.22 0.24 0.00 0.18 0.00 0.00 52.55 54.73 1yho s ASP 152 Cb -0.27 -2.53 1.29 0.00 1.07 0.00 0.00 42.92 42.48 1yho s ASP 152 CO 0.31 -1.58 2.03 -0.07 1.18 0.00 0.00 175.17 177.04 1yho h LEU 153 N 13.03 0.00 -1.39 1.23 3.38 -1.94 0.59 115.31 130.21 1yho h LEU 153 Ca -0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1yho h LEU 153 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1yho h LEU 153 CO 1.04 0.16 -0.22 -0.08 0.09 0.00 0.00 178.44 179.42 1yho h GLU 154 N 0.00 0.12 0.00 1.13 4.81 -2.02 -3.19 114.58 115.43 1yho h GLU 154 Ca -0.00 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 1yho h GLU 154 Cb 0.38 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1yho h GLU 154 CO 0.02 0.34 -2.13 1.63 -0.73 0.00 0.00 179.01 178.14 1yho n LYS 155 N -4.22 1.22 -3.94 1.92 4.76 -0.84 -4.96 118.16 112.09 1yho n LYS 155 Ca -0.02 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.08 1yho n LYS 155 Cb 0.31 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yho s TYR 156 N -2.40 3.52 0.06 2.13 2.02 0.20 -1.11 117.35 121.77 1yho s TYR 156 Ca -0.11 0.41 0.06 0.00 -0.37 0.00 0.00 57.07 57.06 1yho s TYR 156 Cb 0.05 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1yho s TYR 156 CO 0.64 0.67 -0.10 0.15 -1.57 0.00 0.00 175.55 175.34 1yho s LYS 157 N -1.48 2.26 -0.32 -0.62 1.02 0.22 -4.34 119.74 116.48 1yho s LYS 157 Ca 0.21 -0.92 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 1yho s LYS 157 Cb -0.12 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1yho s LYS 157 CO 0.11 0.54 0.78 -1.17 -0.92 0.00 0.00 175.35 174.69 1yho s LEU 158 N -1.82 4.10 -0.46 3.17 0.20 -1.26 -1.96 118.68 120.65 1yho s LEU 158 Ca 0.19 0.56 0.01 0.00 0.69 0.00 0.00 54.13 55.59 1yho s LEU 158 Cb -0.11 -3.05 0.12 0.00 -0.43 0.00 0.00 46.19 42.72 1yho s LEU 158 CO 0.10 -0.64 0.22 -0.76 -0.29 0.00 0.00 176.35 174.98 1yho s LEU 159 N 2.98 4.82 0.05 -0.68 1.43 0.29 -4.97 118.68 122.61 1yho s LEU 159 Ca 0.32 -2.53 -0.20 0.00 -1.03 0.00 0.00 54.13 50.69 1yho s LEU 159 Cb -0.14 -1.72 -0.12 0.00 0.03 0.00 0.00 46.19 44.24 1yho s LEU 159 CO 0.14 -0.37 1.42 1.55 0.23 0.00 0.00 176.35 179.33 1yho h PRO 160 N 7.25 0.35 -4.66 1.29 0.13 -1.92 -1.27 132.00 133.17 1yho h PRO 160 Ca -0.07 -0.14 -0.69 0.00 -0.87 0.00 0.00 66.00 64.23 1yho h PRO 160 Cb 0.97 -0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.77 1yho h PRO 160 CO 0.64 0.64 -0.63 -2.00 -0.23 0.00 0.00 178.00 176.43 1yho s GLU 161 N -4.65 2.39 -0.04 0.86 -6.30 -1.26 -4.67 118.70 105.02 1yho s GLU 161 Ca -0.14 -1.39 0.05 0.00 -2.50 0.00 0.00 54.97 51.00 1yho s GLU 161 Cb 0.06 -3.38 -0.01 0.00 0.00 0.00 0.00 34.13 30.80 1yho s GLU 161 CO 0.74 -0.76 -0.20 -0.47 0.02 0.00 0.00 175.26 174.59 1yho s TYR 162 N 1.27 1.95 0.29 5.30 6.14 -1.26 -5.10 117.35 125.94 1yho s TYR 162 Ca -0.01 -0.51 -0.29 0.00 0.64 0.00 0.00 57.07 56.90 1yho s TYR 162 Cb -0.21 -1.29 -0.13 0.00 0.42 0.00 0.00 41.96 40.76 1yho s TYR 162 CO -0.01 -0.14 1.30 -2.30 0.64 0.00 0.00 175.55 175.05 1yho n PRO 163 N 2.92 1.98 0.00 4.97 -0.02 -1.26 -2.13 135.00 141.46 1yho n PRO 163 Ca -0.17 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1yho n PRO 163 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1yho n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yho n GLY 164 N 1.41 2.74 3.82 -1.23 0.00 -1.26 -5.01 105.19 105.66 1yho n GLY 164 Ca 0.08 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1yho n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yho s VAL 165 N -1.38 5.11 0.40 1.61 0.11 -0.90 -5.09 120.40 120.26 1yho s VAL 165 Ca 0.00 -0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.79 1yho s VAL 165 Cb 0.00 -3.24 -0.09 0.00 -1.53 0.00 0.00 36.38 31.52 1yho s VAL 165 CO 0.00 0.55 1.05 -0.76 -3.33 0.00 0.00 175.10 172.62 1yho s LEU 166 N -1.18 4.12 -0.20 2.54 1.43 -1.26 -4.49 118.68 119.64 1yho s LEU 166 Ca 0.17 2.05 0.17 0.00 -1.03 0.00 0.00 54.13 55.48 1yho s LEU 166 Cb -0.12 -4.20 -0.24 0.00 0.03 0.00 0.00 46.19 41.65 1yho s LEU 166 CO 0.06 -0.52 0.06 -1.20 0.23 0.00 0.00 176.35 174.98 1yho n SER 167 N -0.13 0.15 -4.77 2.29 7.64 -1.26 -4.58 113.62 112.96 1yho n SER 167 Ca 0.05 -0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 1yho n SER 167 Cb 0.50 0.89 -0.02 0.00 -1.01 0.00 0.00 64.21 64.57 1yho n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1yho s ASP 168 N -5.57 6.65 0.07 6.43 1.01 -1.26 -4.70 116.67 119.31 1yho s ASP 168 Ca -0.12 2.78 -0.31 0.00 0.71 0.00 0.00 52.55 55.61 1yho s ASP 168 Cb 0.06 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 1yho s ASP 168 CO 0.81 -0.63 1.36 -0.69 0.21 0.00 0.00 175.17 176.23 1yho s VAL 169 N -1.02 3.56 0.43 -1.27 1.01 -1.26 -4.78 120.40 117.07 1yho s VAL 169 Ca 0.51 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 1yho s VAL 169 Cb -0.42 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1yho s VAL 169 CO 0.55 0.05 0.69 -1.10 0.00 0.00 0.00 175.10 175.29 1yho s GLN 170 N 1.55 3.51 -0.15 2.72 1.11 -0.53 -4.90 119.66 122.98 1yho s GLN 170 Ca 0.63 -0.02 -0.06 0.00 0.01 0.00 0.00 55.36 55.92 1yho s GLN 170 Cb -0.34 -2.49 0.07 0.00 -1.01 0.00 0.00 33.01 29.24 1yho s GLN 170 CO 0.29 -0.07 0.33 -2.00 0.01 0.00 0.00 175.29 173.85 1yho s GLU 171 N -4.57 0.26 -0.05 2.91 -6.30 -1.26 -1.26 118.70 108.42 1yho s GLU 171 Ca 0.44 0.78 -0.02 0.00 -2.50 0.00 0.00 54.97 53.68 1yho s GLU 171 Cb -0.10 0.04 0.04 0.00 0.00 0.00 0.00 34.13 34.11 1yho s GLU 171 CO 0.41 -0.22 0.10 -1.21 0.02 0.00 0.00 175.26 174.36 1yho s GLU 172 N 2.00 0.03 -1.69 4.30 0.41 0.22 -4.84 118.70 119.14 1yho s GLU 172 Ca -0.04 0.32 -0.02 0.00 -0.41 0.00 0.00 54.97 54.82 1yho s GLU 172 Cb -0.11 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.02 1yho s GLU 172 CO -0.11 -0.18 0.26 1.63 -0.49 0.00 0.00 175.26 176.37 1yho n LYS 173 N 4.32 -3.04 -0.76 1.61 5.02 -1.26 -0.88 118.16 123.17 1yho n LYS 173 Ca -0.25 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1yho n LYS 173 Cb 0.51 -5.72 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yho n GLY 174 N -1.23 1.15 3.51 0.72 0.00 -1.26 -5.01 105.19 103.08 1yho n GLY 174 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1yho n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yho s ILE 175 N -3.62 5.18 -0.03 -0.61 1.01 -0.06 -5.08 121.20 117.99 1yho s ILE 175 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1yho s ILE 175 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1yho s ILE 175 CO 0.00 -0.02 0.01 -1.59 0.00 0.00 0.00 174.94 173.34 1yho s LYS 176 N 1.70 2.88 0.10 2.79 -2.85 -1.26 -0.61 119.74 122.50 1yho s LYS 176 Ca 0.06 -0.53 -0.17 0.00 -1.00 0.00 0.00 55.97 54.33 1yho s LYS 176 Cb -0.17 -2.73 0.04 0.00 -2.06 0.00 0.00 37.83 32.90 1yho s LYS 176 CO 0.10 0.65 0.41 1.52 0.10 0.00 0.00 175.35 178.13 1yho s TYR 177 N -1.03 -0.23 0.21 1.78 1.13 -0.39 -1.39 117.35 117.42 1yho s TYR 177 Ca 0.18 -0.00 0.10 0.00 -1.41 0.00 0.00 57.07 55.94 1yho s TYR 177 Cb -0.11 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 1yho s TYR 177 CO 0.08 -0.67 -0.16 -1.59 -2.51 0.00 0.00 175.55 170.70 1yho s LYS 178 N -3.44 1.82 -0.24 -3.49 -2.85 -0.01 -1.45 119.74 110.08 1yho s LYS 178 Ca 0.01 -1.45 -0.07 0.00 -1.00 0.00 0.00 55.97 53.45 1yho s LYS 178 Cb 0.01 -1.98 -0.03 0.00 -2.06 0.00 0.00 37.83 33.77 1yho s LYS 178 CO -0.09 0.40 0.07 0.12 0.10 0.00 0.00 175.35 175.95 1yho s PHE 179 N -1.86 3.11 -0.00 1.78 5.36 -1.26 -1.42 117.98 123.69 1yho s PHE 179 Ca 0.25 -0.32 0.05 0.00 -0.96 0.00 0.00 56.93 55.95 1yho s PHE 179 Cb -0.08 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1yho s PHE 179 CO 0.13 -0.27 -0.13 -2.00 -1.46 0.00 0.00 175.22 171.49 1yho s GLU 180 N 1.43 2.37 -0.06 10.12 2.12 0.06 -4.87 118.70 129.87 1yho s GLU 180 Ca 0.06 -0.80 0.05 0.00 0.36 0.00 0.00 54.97 54.63 1yho s GLU 180 Cb -0.15 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 1yho s GLU 180 CO 0.04 0.59 -0.22 0.08 -0.54 0.00 0.00 175.26 175.21 1yho s VAL 181 N -0.88 2.34 -0.04 3.70 1.01 -0.48 -1.37 120.40 124.68 1yho s VAL 181 Ca 0.14 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1yho s VAL 181 Cb -0.11 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1yho s VAL 181 CO 0.04 0.57 -0.15 -0.31 0.00 0.00 0.00 175.10 175.25 1yho s TYR 182 N -0.25 1.56 -0.06 5.22 1.51 0.17 0.10 117.35 125.61 1yho s TYR 182 Ca -0.00 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 1yho s TYR 182 Cb -0.13 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1yho s TYR 182 CO 0.03 -0.17 -0.25 -2.00 -1.11 0.00 0.00 175.55 172.05 1yho s GLU 183 N 0.14 2.61 -0.27 -0.62 2.12 -0.83 -0.17 118.70 121.68 1yho s GLU 183 Ca -0.05 -0.90 -0.10 0.00 0.36 0.00 0.00 54.97 54.28 1yho s GLU 183 Cb -0.12 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1yho s GLU 183 CO 0.02 0.37 0.15 0.21 -0.54 0.00 0.00 175.26 175.47 1yho s LYS 184 N -0.12 3.86 -0.27 4.30 2.36 -0.65 0.69 119.74 129.91 1yho s LYS 184 Ca -0.05 -0.37 -0.08 0.00 -2.55 0.00 0.00 55.97 52.92 1yho s LYS 184 Cb -0.14 -3.56 -0.02 0.00 -1.05 0.00 0.00 37.83 33.06 1yho s LYS 184 CO 0.04 -0.18 0.10 -0.80 1.55 0.00 0.00 175.35 176.06 1yho s ASN 185 N 1.72 5.29 0.00 1.43 -0.87 -0.27 -3.69 114.94 118.55 1yho s ASN 185 Ca 0.07 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 1yho s ASN 185 Cb -0.16 -1.95 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 1yho s ASN 185 CO 0.09 -0.08 0.00 -0.67 -2.57 0.00 0.00 177.10 173.86