#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 0.42 3.22 7.63 0.00 -1.26 -5.04 105.19 110.16 1yho n GLY 2 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.97 5.10 -0.23 1.61 0.01 -1.26 -4.87 113.70 111.10 1yho s SER 3 Ca 0.00 -1.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.01 1yho s SER 3 Cb 0.00 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.46 1yho s SER 3 CO 0.00 -0.30 -0.09 -0.76 0.41 0.00 0.00 173.24 172.49 1yho s LEU 4 N 1.32 2.89 -0.15 2.44 1.02 -1.26 -1.92 118.68 123.02 1yho s LEU 4 Ca -0.03 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.37 1yho s LEU 4 Cb -0.20 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.41 1yho s LEU 4 CO 0.01 -0.08 -0.17 0.21 0.02 0.00 0.00 176.35 176.34 1yho s ASN 5 N 1.33 2.80 -0.09 2.29 3.84 -0.92 -1.82 114.94 122.38 1yho s ASN 5 Ca 0.02 -0.53 -0.02 0.00 0.21 0.00 0.00 52.86 52.54 1yho s ASN 5 Cb -0.15 -1.27 -0.03 0.00 -0.55 0.00 0.00 41.25 39.25 1yho s ASN 5 CO -0.06 -0.02 -0.01 0.00 -2.79 0.00 0.00 177.10 174.22 1yho s ILE 7 N -0.82 -0.43 0.03 0.00 2.07 -0.93 0.86 121.20 121.98 1yho s ILE 7 Ca 0.12 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.43 1yho s ILE 7 Cb -0.11 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1yho s ILE 7 CO 0.02 -0.02 0.04 0.68 -1.91 0.00 0.00 174.94 173.75 1yho s VAL 8 N 2.42 0.13 0.01 4.00 -7.23 -0.16 -4.48 120.40 115.09 1yho s VAL 8 Ca 0.05 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1yho s VAL 8 Cb -0.14 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 1yho s VAL 8 CO -0.11 -0.59 0.08 0.00 -0.31 0.00 0.00 175.10 174.18 1yho s ALA 9 N -2.21 3.59 0.02 1.32 0.00 -1.26 -1.69 121.76 121.53 1yho s ALA 9 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1yho s ALA 9 Cb -0.04 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1yho s ALA 9 CO -0.03 0.71 -0.04 0.14 0.00 0.00 0.00 175.76 176.54 1yho s VAL 10 N -1.24 0.20 0.73 0.00 -7.23 0.22 -4.75 120.40 108.33 1yho s VAL 10 Ca 0.24 -0.73 -0.12 0.00 -1.81 0.00 0.00 61.98 59.57 1yho s VAL 10 Cb -0.12 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.56 1yho s VAL 10 CO 0.16 -0.34 1.12 -0.94 -0.31 0.00 0.00 175.10 174.79 1yho s SER 11 N -1.13 5.18 0.64 4.85 1.04 0.20 -1.11 113.70 123.37 1yho s SER 11 Ca -0.11 1.03 0.38 0.00 0.48 0.00 0.00 55.95 57.74 1yho s SER 11 Cb -0.08 -1.74 2.15 0.00 0.10 0.00 0.00 66.02 66.45 1yho s SER 11 CO -0.00 -1.50 2.31 -0.61 0.98 0.00 0.00 173.24 174.41 1yho h GLN 12 N -0.77 0.00 -0.77 4.02 4.15 -1.06 0.02 115.11 120.71 1yho h GLN 12 Ca -0.45 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.86 1yho h GLN 12 Cb 1.27 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 1yho h GLN 12 CO 0.64 0.00 0.14 -1.71 -1.93 0.00 0.00 178.83 175.97 1yho n ASN 13 N -3.40 4.39 -2.38 -0.69 5.15 -1.26 -4.88 115.26 112.18 1yho n ASN 13 Ca -0.03 -2.87 -0.20 0.00 -0.60 0.00 0.00 54.58 50.88 1yho n ASN 13 Cb 0.09 -0.68 -0.00 0.00 -0.53 0.00 0.00 39.78 38.66 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 -2.09 -4.07 1.20 2.81 -0.01 -4.89 117.12 110.21 1yho n MET 14 Ca 0.28 0.96 -0.27 0.00 -1.81 0.00 0.00 57.70 56.86 1yho n MET 14 Cb 1.11 -5.60 -0.05 0.00 -0.71 0.00 0.00 33.22 27.96 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 -2.19 1.77 -0.06 3.03 0.00 -1.24 0.53 107.32 109.15 1yho s GLY 15 Ca 0.05 -1.17 -0.00 0.00 0.00 0.00 0.00 44.72 43.59 1yho s GLY 15 CO 0.06 -1.17 -0.06 0.29 0.00 0.00 0.00 173.10 172.22 1yho n ILE 16 N -0.22 0.33 -3.57 0.90 -5.35 -1.08 0.59 119.36 110.97 1yho n ILE 16 Ca -0.08 -0.12 -0.07 0.00 -0.27 0.00 0.00 62.75 62.21 1yho n ILE 16 Cb 0.54 -0.91 -0.03 0.00 -1.74 0.00 0.00 39.64 37.51 1yho n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1yho s GLY 17 N -4.69 -0.31 -0.08 3.28 0.00 -1.26 -4.39 107.32 99.88 1yho s GLY 17 Ca -0.08 1.62 0.01 0.00 0.00 0.00 0.00 44.72 46.27 1yho s GLY 17 CO 0.13 0.63 -0.09 -1.59 0.00 0.00 0.00 173.10 172.18 1yho s LYS 18 N -2.23 1.44 -1.72 2.90 0.00 0.24 -2.74 119.74 117.64 1yho s LYS 18 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 55.74 1yho s LYS 18 Cb -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 37.83 36.48 1yho s LYS 18 CO -0.05 -0.09 0.00 0.09 0.00 0.00 0.00 175.35 175.30 1yho n ASN 19 N 4.25 -5.60 -0.11 0.03 4.13 -1.26 -1.43 115.26 115.27 1yho n ASN 19 Ca -0.19 0.03 -0.01 0.00 1.68 0.00 0.00 54.58 56.08 1yho n ASN 19 Cb 0.51 -4.65 -0.01 0.00 -1.54 0.00 0.00 39.78 34.09 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yho n GLY 20 N -0.98 0.47 3.05 7.41 0.00 -1.26 -5.04 105.19 108.85 1yho n GLY 20 Ca -0.23 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1yho n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yho s ASP 21 N -2.98 0.85 0.42 1.61 2.15 -0.51 -4.87 116.67 113.33 1yho s ASP 21 Ca 0.00 -0.51 -0.25 0.00 0.43 0.00 0.00 52.55 52.22 1yho s ASP 21 Cb 0.00 0.02 -0.08 0.00 -0.30 0.00 0.00 42.92 42.56 1yho s ASP 21 CO 0.00 -0.17 1.23 -0.76 -0.17 0.00 0.00 175.17 175.29 1yho s LEU 22 N -1.44 4.16 0.36 -1.34 1.43 -1.26 0.80 118.68 121.39 1yho s LEU 22 Ca -0.09 2.48 0.05 0.00 -1.03 0.00 0.00 54.13 55.54 1yho s LEU 22 Cb -0.09 -4.02 0.72 0.00 0.03 0.00 0.00 46.19 42.83 1yho s LEU 22 CO 0.00 -0.82 1.98 -0.65 0.23 0.00 0.00 176.35 177.09 1yho h PRO 23 N 2.52 0.76 -6.15 1.29 0.11 -1.85 -3.43 132.00 125.25 1yho h PRO 23 Ca -0.49 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 64.97 1yho h PRO 23 Cb 1.24 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1yho h PRO 23 CO 0.62 0.50 -0.56 1.67 -0.21 0.00 0.00 178.00 180.02 1yho s TRP 24 N -5.68 3.24 1.15 0.65 -2.14 -1.26 -4.86 118.94 110.03 1yho s TRP 24 Ca -0.10 0.06 -0.17 0.00 2.66 0.00 0.00 56.10 58.55 1yho s TRP 24 Cb 0.19 -1.59 0.17 0.00 -3.10 0.00 0.00 33.47 29.14 1yho s TRP 24 CO 0.77 0.53 0.35 -2.30 -2.66 0.00 0.00 176.95 173.64 1yho n PRO 25 N -0.01 -1.97 -1.68 3.25 -0.02 -1.26 -4.83 135.00 128.48 1yho n PRO 25 Ca -0.08 -0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 60.43 1yho n PRO 25 Cb 0.53 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 1yho n PRO 25 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yho s PRO 26 N -3.77 4.06 -0.25 0.52 0.04 -1.26 -4.97 135.00 129.37 1yho s PRO 26 Ca 0.60 2.55 -0.10 0.00 0.04 0.00 0.00 61.00 64.10 1yho s PRO 26 Cb -0.17 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 1yho s PRO 26 CO 0.66 -1.05 0.14 -1.17 0.04 0.00 0.00 177.00 175.62 1yho s LEU 27 N 4.77 3.90 0.13 -3.56 2.96 -1.26 -4.98 118.68 120.64 1yho s LEU 27 Ca 0.89 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1yho s LEU 27 Cb -0.42 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 44.14 1yho s LEU 27 CO 0.41 0.02 1.32 -0.09 -1.32 0.00 0.00 176.35 176.69 1yho h ARG 28 N 7.81 0.44 -0.47 1.98 2.43 -1.98 -2.23 114.38 122.37 1yho h ARG 28 Ca -0.37 -0.45 -0.08 0.00 -0.81 0.00 0.00 59.98 58.27 1yho h ARG 28 Cb 1.18 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 1yho h ARG 28 CO 0.61 1.11 -0.01 -0.97 -1.51 0.00 0.00 179.97 179.20 1yho h ASN 29 N 0.26 0.81 -0.29 -3.80 -1.24 -1.98 0.29 115.58 109.63 1yho h ASN 29 Ca -0.07 -0.31 -0.11 0.00 0.71 0.00 0.00 56.30 56.52 1yho h ASN 29 Cb 1.53 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 1yho h ASN 29 CO 0.16 0.93 -0.25 -0.08 -1.29 0.00 0.00 177.43 176.90 1yho h GLU 30 N 0.68 0.69 -0.22 6.67 4.81 -1.99 -0.94 114.58 124.27 1yho h GLU 30 Ca 0.13 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1yho h GLU 30 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1yho h GLU 30 CO 0.03 0.95 0.05 0.74 -0.73 0.00 0.00 179.01 180.05 1yho h PHE 31 N 0.43 0.39 -0.30 0.92 -1.00 -1.34 0.47 116.94 116.51 1yho h PHE 31 Ca 0.05 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1yho h PHE 31 Cb 0.81 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1yho h PHE 31 CO 0.07 0.48 0.12 0.00 -1.61 0.00 0.00 178.31 177.37 1yho h ARG 32 N 0.18 0.44 -0.59 1.51 3.08 -0.95 -1.01 114.38 117.04 1yho h ARG 32 Ca 0.07 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1yho h ARG 32 Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1yho h ARG 32 CO 0.00 0.46 0.16 -0.92 -1.07 0.00 0.00 179.97 178.60 1yho h TYR 33 N 0.33 0.94 -0.07 3.04 3.20 -1.11 0.06 116.97 123.36 1yho h TYR 33 Ca 0.10 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1yho h TYR 33 Cb 0.18 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1yho h TYR 33 CO -0.01 0.77 0.01 0.35 -1.64 0.00 0.00 178.16 177.65 1yho h PHE 34 N 0.88 0.13 -0.65 -3.82 3.57 -0.65 -1.36 116.94 115.03 1yho h PHE 34 Ca 0.19 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1yho h PHE 34 Cb 0.30 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1yho h PHE 34 CO 0.02 0.34 0.14 1.96 -2.23 0.00 0.00 178.31 178.55 1yho h GLN 35 N -0.13 1.04 -0.64 1.11 4.20 -1.04 -2.38 115.11 117.27 1yho h GLN 35 Ca 0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1yho h GLN 35 Cb 0.29 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1yho h GLN 35 CO 0.00 0.95 0.37 -0.09 -0.67 0.00 0.00 178.83 179.39 1yho h ARG 36 N 0.96 0.88 -0.37 1.46 2.43 -0.92 0.34 114.38 119.16 1yho h ARG 36 Ca 0.20 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1yho h ARG 36 Cb 0.38 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1yho h ARG 36 CO 0.00 0.64 0.21 1.98 -1.51 0.00 0.00 179.97 181.30 1yho h MET 37 N 0.87 0.51 -0.03 0.20 4.05 -1.05 0.36 114.93 119.83 1yho h MET 37 Ca 0.23 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 59.46 1yho h MET 37 Cb 0.00 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1yho h MET 37 CO -0.04 0.41 -0.57 1.79 0.23 0.00 0.00 176.91 178.72 1yho h THR 38 N 0.47 1.40 0.00 -0.77 1.35 -1.17 -3.04 112.91 111.16 1yho h THR 38 Ca 0.13 -1.95 -0.18 0.00 -0.55 0.00 0.00 66.41 63.86 1yho h THR 38 Cb 0.04 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1yho h THR 38 CO -0.02 0.56 -0.85 0.74 -0.25 0.00 0.00 175.52 175.70 1yho h THR 39 N 0.08 1.55 -2.10 6.82 2.02 0.07 -3.43 112.91 117.92 1yho h THR 39 Ca -0.00 -2.72 -0.51 0.00 0.77 0.00 0.00 66.41 63.94 1yho h THR 39 Cb 1.04 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.91 1yho h THR 39 CO 0.08 0.79 1.36 0.42 0.37 0.00 0.00 175.52 178.54 1yho s THR 40 N -3.16 3.35 -0.09 3.16 -4.23 0.12 -4.97 115.64 109.82 1yho s THR 40 Ca -0.01 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.71 1yho s THR 40 Cb 0.11 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1yho s THR 40 CO 0.81 -0.72 0.05 -0.44 -0.54 0.00 0.00 174.62 173.78 1yho s SER 41 N 8.04 5.62 -0.00 3.99 0.01 -1.26 -4.95 113.70 125.15 1yho s SER 41 Ca 0.72 0.25 0.08 0.00 1.31 0.00 0.00 55.95 58.31 1yho s SER 41 Cb -0.15 -1.67 -0.23 0.00 0.21 0.00 0.00 66.02 64.18 1yho s SER 41 CO 0.24 0.38 0.82 0.28 0.41 0.00 0.00 173.24 175.38 1yho h SER 42 N 5.04 0.08 -3.17 2.44 0.02 -1.98 -3.45 113.55 112.52 1yho h SER 42 Ca -0.52 -0.13 -0.61 0.00 -0.84 0.00 0.00 61.79 59.70 1yho h SER 42 Cb 1.20 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.62 1yho h SER 42 CO 0.56 1.11 -0.37 0.68 -1.14 0.00 0.00 176.83 177.67 1yho s VAL 43 N -2.63 5.33 0.11 2.27 -7.23 -1.26 -5.08 120.40 111.91 1yho s VAL 43 Ca -0.05 0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 60.38 1yho s VAL 43 Cb 0.08 -3.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.38 1yho s VAL 43 CO 0.82 0.45 0.62 -1.61 -0.31 0.00 0.00 175.10 175.07 1yho s GLU 44 N 0.08 4.25 0.00 4.82 0.41 -1.26 -3.91 118.70 123.08 1yho s GLU 44 Ca 0.15 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 55.51 1yho s GLU 44 Cb -0.13 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1yho s GLU 44 CO 0.04 0.59 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1yho n GLY 45 N 1.52 0.54 3.33 -1.39 0.00 -1.26 -5.05 105.19 102.89 1yho n GLY 45 Ca -0.08 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.73 1.29 0.16 1.61 3.01 -1.25 -5.03 119.74 118.81 1yho s LYS 46 Ca 0.00 -1.55 0.11 0.00 -1.01 0.00 0.00 55.97 53.52 1yho s LYS 46 Cb 0.00 -1.08 -0.04 0.00 -1.01 0.00 0.00 37.83 35.70 1yho s LYS 46 CO 0.00 0.18 -0.25 -0.65 0.51 0.00 0.00 175.35 175.14 1yho s GLN 47 N -3.56 1.46 -0.09 1.68 -0.21 -1.17 -5.00 119.66 112.76 1yho s GLN 47 Ca 0.21 -1.45 -0.09 0.00 0.02 0.00 0.00 55.36 54.05 1yho s GLN 47 Cb -0.01 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 1yho s GLN 47 CO 0.06 0.42 0.21 -0.80 -2.12 0.00 0.00 175.29 173.06 1yho s ASN 48 N -2.40 6.49 -0.24 5.90 0.01 -1.26 -3.23 114.94 120.21 1yho s ASN 48 Ca 0.18 0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 52.85 1yho s ASN 48 Cb -0.09 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 1yho s ASN 48 CO 0.08 0.37 0.03 -0.22 -1.51 0.00 0.00 177.10 175.86 1yho s LEU 49 N -0.96 3.25 -0.05 0.60 0.20 -0.94 -1.55 118.68 119.23 1yho s LEU 49 Ca 0.17 -0.27 -0.00 0.00 0.69 0.00 0.00 54.13 54.72 1yho s LEU 49 Cb -0.13 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1yho s LEU 49 CO 0.06 -0.03 0.01 0.68 -0.29 0.00 0.00 176.35 176.78 1yho s VAL 50 N 1.56 4.26 -0.06 1.68 -7.23 0.51 0.24 120.40 121.38 1yho s VAL 50 Ca 0.06 -0.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 1yho s VAL 50 Cb -0.15 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1yho s VAL 50 CO 0.01 0.50 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.59 1yho s ILE 51 N -0.99 3.59 0.06 -0.62 1.01 0.55 -0.07 121.20 124.73 1yho s ILE 51 Ca 0.16 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 1yho s ILE 51 Cb -0.11 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1yho s ILE 51 CO 0.06 0.57 -0.04 -0.04 0.00 0.00 0.00 174.94 175.50 1yho s MET 52 N -0.87 0.61 0.62 2.79 -1.94 0.25 -2.17 119.30 118.59 1yho s MET 52 Ca 0.13 -1.13 -0.02 0.00 -1.71 0.00 0.00 55.69 52.96 1yho s MET 52 Cb -0.11 0.08 0.05 0.00 2.01 0.00 0.00 34.83 36.86 1yho s MET 52 CO 0.02 -0.07 0.87 0.20 -0.01 0.00 0.00 175.02 176.03 1yho s GLY 53 N -2.67 1.78 0.14 -0.03 0.00 -1.17 -1.95 107.32 103.42 1yho s GLY 53 Ca 0.04 -1.21 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 1yho s GLY 53 CO -0.07 -0.87 1.73 1.70 0.00 0.00 0.00 173.10 175.59 1yho h LYS 54 N -0.20 0.60 -0.16 2.90 3.64 -1.96 0.94 116.57 122.33 1yho h LYS 54 Ca -0.43 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1yho h LYS 54 Cb 1.30 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1yho h LYS 54 CO 0.54 0.51 -0.03 0.87 -2.27 0.00 0.00 179.45 179.07 1yho h LYS 55 N 0.54 0.30 -0.39 1.90 1.79 -1.94 -1.81 116.57 116.95 1yho h LYS 55 Ca 0.15 -0.11 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1yho h LYS 55 Cb 0.10 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1yho h LYS 55 CO -0.02 0.56 0.26 1.15 -1.08 0.00 0.00 179.45 180.32 1yho h THR 56 N 0.02 1.09 -0.54 -0.16 2.02 -1.93 -0.57 112.91 112.85 1yho h THR 56 Ca 0.04 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1yho h THR 56 Cb 0.44 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1yho h THR 56 CO 0.01 0.10 0.25 -0.25 0.37 0.00 0.00 175.52 176.00 1yho h TRP 57 N 0.52 0.75 0.00 3.16 2.91 -0.78 -1.50 115.95 121.00 1yho h TRP 57 Ca 0.15 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 1yho h TRP 57 Cb -0.05 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 28.36 1yho h TRP 57 CO -0.05 0.56 -0.13 0.74 -1.03 0.00 0.00 178.44 178.52 1yho h PHE 58 N 0.76 0.00 0.00 2.65 -1.00 -0.77 -3.16 116.94 115.41 1yho h PHE 58 Ca 0.19 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.78 1yho h PHE 58 Cb 0.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 1yho h PHE 58 CO 0.01 0.13 -1.11 0.66 -1.61 0.00 0.00 178.31 176.39 1yho h SER 59 N 0.00 0.00 -2.67 2.17 4.64 -0.23 -3.45 113.55 114.01 1yho h SER 59 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1yho h SER 59 Cb 0.92 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1yho h SER 59 CO 0.02 0.76 1.06 -0.63 -0.87 0.00 0.00 176.83 177.17 1yho s ILE 60 N -2.81 3.71 0.80 0.95 1.01 -0.65 -4.97 121.20 119.24 1yho s ILE 60 Ca -0.00 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.36 1yho s ILE 60 Cb 0.09 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1yho s ILE 60 CO 0.80 -0.10 0.75 -2.65 0.00 0.00 0.00 174.94 173.74 1yho n PRO 61 N 7.10 0.16 0.19 2.79 -0.02 -1.26 -4.85 135.00 139.11 1yho n PRO 61 Ca 0.17 0.11 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1yho n PRO 61 Cb 0.43 -2.06 0.25 0.00 -0.02 0.00 0.00 33.50 32.10 1yho n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yho h GLU 62 N -0.78 0.00 -0.48 -0.52 4.57 -1.93 -2.85 114.58 112.59 1yho h GLU 62 Ca -0.45 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.87 1yho h GLU 62 Cb 1.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1yho h GLU 62 CO 0.42 0.28 0.35 0.87 -1.18 0.00 0.00 179.01 179.75 1yho h LYS 63 N 0.00 0.00 0.00 1.92 6.56 -2.02 -2.22 116.57 120.81 1yho h LYS 63 Ca -0.00 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 1yho h LYS 63 Cb 1.03 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.62 1yho h LYS 63 CO 0.04 0.00 -2.22 0.09 -2.06 0.00 0.00 179.45 175.29 1yho n ASN 64 N -4.36 0.67 -4.78 0.86 3.02 -1.20 -4.96 115.26 104.51 1yho n ASN 64 Ca 0.09 -0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 1yho n ASN 64 Cb 0.56 0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.57 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 -2.43 4.43 0.12 3.52 0.52 -0.84 -2.95 118.95 121.32 1yho s ARG 65 Ca -0.10 0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 55.81 1yho s ARG 65 Cb 0.05 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.20 1yho s ARG 65 CO 0.72 0.57 1.10 -2.14 0.02 0.00 0.00 175.30 175.57 1yho s PRO 66 N -1.01 4.55 -0.73 3.54 0.02 -1.26 -4.71 135.00 135.39 1yho s PRO 66 Ca 0.33 1.68 -0.26 0.00 0.02 0.00 0.00 61.00 62.77 1yho s PRO 66 Cb -0.22 -3.33 -0.10 0.00 0.02 0.00 0.00 34.50 30.88 1yho s PRO 66 CO 0.23 -0.02 2.27 -1.17 -0.33 0.00 0.00 177.00 177.98 1yho s LEU 67 N 0.23 3.08 0.75 -5.54 1.98 -1.15 -4.93 118.68 113.09 1yho s LEU 67 Ca 0.52 0.16 -0.11 0.00 -2.89 0.00 0.00 54.13 51.81 1yho s LEU 67 Cb -0.28 -2.54 0.05 0.00 0.66 0.00 0.00 46.19 44.08 1yho s LEU 67 CO 0.32 -3.32 1.09 -0.54 -1.89 0.00 0.00 176.35 172.01 1yho s LYS 68 N 8.24 2.38 0.00 1.98 1.02 -1.26 -3.69 119.74 128.40 1yho s LYS 68 Ca 0.87 1.18 0.00 0.00 0.02 0.00 0.00 55.97 58.04 1yho s LYS 68 Cb -0.13 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1yho s LYS 68 CO 0.11 -1.55 0.00 0.41 -0.92 0.00 0.00 175.35 173.40 1yho n GLY 69 N -1.17 3.01 2.99 -3.33 0.00 -1.26 -5.00 105.19 100.43 1yho n GLY 69 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1yho n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yho s ARG 70 N -0.16 0.30 0.10 1.61 3.00 -1.24 -4.74 118.95 117.81 1yho s ARG 70 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 55.73 54.95 1yho s ARG 70 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 34.95 35.00 1yho s ARG 70 CO 0.00 -0.05 1.19 0.42 0.00 0.00 0.00 175.30 176.86 1yho s ILE 71 N -1.23 3.92 -0.18 1.52 -1.09 -0.60 -4.85 121.20 118.70 1yho s ILE 71 Ca -0.13 1.45 -0.08 0.00 -2.23 0.00 0.00 60.65 59.65 1yho s ILE 71 Cb -0.08 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1yho s ILE 71 CO -0.00 0.15 0.09 0.20 -1.23 0.00 0.00 174.94 174.14 1yho s ASN 72 N 0.77 5.85 -0.10 3.58 0.01 -1.26 -0.36 114.94 123.42 1yho s ASN 72 Ca 0.57 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.89 1yho s ASN 72 Cb -0.30 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.38 1yho s ASN 72 CO 0.31 0.20 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.75 1yho s LEU 73 N 0.19 1.64 -0.11 0.60 0.20 0.90 -1.58 118.68 120.52 1yho s LEU 73 Ca 0.06 -0.40 -0.02 0.00 0.69 0.00 0.00 54.13 54.46 1yho s LEU 73 Cb -0.12 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.59 1yho s LEU 73 CO -0.00 -0.00 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.35 1yho s VAL 74 N 1.06 4.11 -0.37 1.68 1.01 -0.76 0.88 120.40 128.02 1yho s VAL 74 Ca -0.06 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1yho s VAL 74 Cb -0.15 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1yho s VAL 74 CO -0.02 0.56 0.22 -0.76 0.00 0.00 0.00 175.10 175.09 1yho s LEU 75 N -0.38 4.66 -0.13 3.92 1.43 -0.82 -1.08 118.68 126.27 1yho s LEU 75 Ca 0.07 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1yho s LEU 75 Cb -0.12 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.09 1yho s LEU 75 CO 0.02 -0.35 0.31 -0.55 0.23 0.00 0.00 176.35 176.02 1yho s SER 76 N 1.61 -0.32 -0.13 2.29 0.15 -0.68 -4.00 113.70 112.62 1yho s SER 76 Ca 0.03 0.68 0.14 0.00 0.70 0.00 0.00 55.95 57.51 1yho s SER 76 Cb -0.19 0.59 -0.24 0.00 -1.71 0.00 0.00 66.02 64.48 1yho s SER 76 CO 0.08 -0.18 0.35 0.54 1.20 0.00 0.00 173.24 175.22 1yho n ARG 77 N 4.35 0.66 -0.04 5.44 1.74 -1.26 -4.28 116.66 123.27 1yho n ARG 77 Ca -0.23 0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 1yho n ARG 77 Cb 0.53 -1.65 0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1yho n ARG 77 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1yho h GLU 78 N 0.00 0.68 -6.22 5.56 4.57 -1.96 -3.43 114.58 113.78 1yho h GLU 78 Ca -0.42 -0.36 -0.57 0.00 -1.18 0.00 0.00 59.36 56.82 1yho h GLU 78 Cb 2.12 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.68 1yho h GLU 78 CO 0.05 0.98 -0.14 -0.51 -1.18 0.00 0.00 179.01 178.21 1yho s LEU 79 N -8.61 4.37 -0.21 1.64 1.43 -1.26 -5.00 118.68 111.04 1yho s LEU 79 Ca -0.09 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.05 1yho s LEU 79 Cb 0.12 -3.08 -0.21 0.00 0.03 0.00 0.00 46.19 43.05 1yho s LEU 79 CO 0.85 0.16 -0.01 1.17 0.23 0.00 0.00 176.35 178.74 1yho n LYS 80 N 1.02 0.68 -3.75 1.70 4.81 -1.26 -4.85 118.16 116.50 1yho n LYS 80 Ca -0.07 0.15 -0.30 0.00 -0.87 0.00 0.00 58.31 57.22 1yho n LYS 80 Cb 0.52 -1.57 -0.04 0.00 0.02 0.00 0.00 35.03 33.96 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1yho s GLU 81 N -2.53 3.54 0.23 1.64 2.02 -1.26 -5.04 118.70 117.30 1yho s GLU 81 Ca -0.26 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 1yho s GLU 81 Cb 0.08 -2.90 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1yho s GLU 81 CO 0.69 0.49 1.35 -1.25 0.02 0.00 0.00 175.26 176.56 1yho s PRO 82 N -2.83 4.35 0.76 0.39 0.04 -1.26 -4.98 135.00 131.47 1yho s PRO 82 Ca 0.39 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 1yho s PRO 82 Cb -0.12 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1yho s PRO 82 CO 0.27 -0.30 0.75 -2.30 0.04 0.00 0.00 177.00 175.46 1yho n PRO 83 N 2.35 0.28 -1.68 0.56 -0.02 -1.26 -4.84 135.00 130.39 1yho n PRO 83 Ca 0.06 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1yho n PRO 83 Cb 0.42 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1yho n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1yho n GLN 84 N -1.56 2.82 0.00 -0.52 7.27 -1.26 -1.44 117.38 122.69 1yho n GLN 84 Ca 0.11 1.03 0.00 0.00 0.07 0.00 0.00 57.00 58.21 1yho n GLN 84 Cb 0.50 -2.94 0.00 0.00 2.41 0.00 0.00 30.24 30.21 1yho n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1yho n GLY 85 N 4.33 3.21 3.80 1.69 0.00 -1.26 -5.00 105.19 111.96 1yho n GLY 85 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 2.70 -0.12 4.61 0.00 -0.52 -4.67 121.76 120.87 1yho s ALA 86 Ca 0.00 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1yho s ALA 86 Cb 0.00 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.63 1yho s ALA 86 CO 0.00 -0.85 0.35 0.72 0.00 0.00 0.00 175.76 175.98 1yho n HIS 87 N -1.99 0.86 -3.69 0.00 8.25 -0.62 -4.90 115.22 113.14 1yho n HIS 87 Ca 0.09 0.23 -0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1yho n HIS 87 Cb 0.53 -1.13 -0.06 0.00 1.12 0.00 0.00 29.99 30.45 1yho n HIS 87 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1yho s PHE 88 N -2.56 -0.16 0.02 4.41 0.08 -0.78 -4.99 117.98 114.01 1yho s PHE 88 Ca -0.17 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 56.86 1yho s PHE 88 Cb 0.07 0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.69 1yho s PHE 88 CO 0.77 -0.63 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.88 1yho s LEU 89 N -2.55 2.13 -0.01 -0.37 2.96 -1.26 -1.82 118.68 117.75 1yho s LEU 89 Ca 0.00 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1yho s LEU 89 Cb 0.01 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 1yho s LEU 89 CO -0.09 0.20 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.59 1yho s SER 90 N -0.96 1.38 -0.03 3.68 0.01 -0.24 -4.95 113.70 112.59 1yho s SER 90 Ca 0.08 -0.21 -0.23 0.00 1.31 0.00 0.00 55.95 56.90 1yho s SER 90 Cb -0.09 -0.19 -0.22 0.00 0.21 0.00 0.00 66.02 65.73 1yho s SER 90 CO 0.01 0.14 1.08 -0.09 0.41 0.00 0.00 173.24 174.79 1yho h ARG 91 N 5.93 0.25 -4.65 12.44 2.43 -1.87 -1.81 114.38 127.09 1yho h ARG 91 Ca -0.33 -0.25 -0.27 0.00 -0.81 0.00 0.00 59.98 58.33 1yho h ARG 91 Cb 1.17 0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 1yho h ARG 91 CO 0.49 0.94 -0.61 -1.12 -1.51 0.00 0.00 179.97 178.16 1yho s SER 92 N -6.40 0.39 0.25 -3.80 0.01 -1.26 -4.30 113.70 98.59 1yho s SER 92 Ca -0.15 -1.40 -0.05 0.00 1.31 0.00 0.00 55.95 55.66 1yho s SER 92 Cb 0.02 0.35 0.28 0.00 0.21 0.00 0.00 66.02 66.88 1yho s SER 92 CO 0.76 -0.83 1.84 0.25 0.41 0.00 0.00 173.24 175.67 1yho h LEU 93 N 2.56 1.01 -0.65 2.44 5.85 -1.99 -2.18 115.31 122.34 1yho h LEU 93 Ca -0.36 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1yho h LEU 93 Cb 1.25 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1yho h LEU 93 CO 0.54 0.86 0.33 0.44 -0.34 0.00 0.00 178.44 180.27 1yho h ASP 94 N 1.09 0.83 -0.19 1.25 5.19 -1.99 -1.61 116.42 120.99 1yho h ASP 94 Ca 0.26 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1yho h ASP 94 Cb 0.14 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1yho h ASP 94 CO -0.03 0.71 0.09 -0.78 -3.12 0.00 0.00 179.24 176.11 1yho h ASP 95 N 0.89 0.26 -0.39 6.45 1.82 -1.89 -1.26 116.42 122.30 1yho h ASP 95 Ca 0.22 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1yho h ASP 95 Cb 0.09 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1yho h ASP 95 CO -0.03 0.33 0.25 0.00 -1.61 0.00 0.00 179.24 178.18 1yho h ALA 96 N 0.94 1.71 -0.23 -0.78 0.00 -1.22 -1.21 119.26 118.47 1yho h ALA 96 Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1yho h ALA 96 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yho h ALA 96 CO -0.01 0.27 -0.41 -0.07 0.00 0.00 0.00 179.25 179.03 1yho h LEU 97 N 0.53 0.76 -1.05 0.00 3.38 -0.93 -2.23 115.31 115.77 1yho h LEU 97 Ca 0.14 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1yho h LEU 97 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1yho h LEU 97 CO -0.03 1.15 -0.08 0.11 0.09 0.00 0.00 178.44 179.69 1yho h LYS 98 N 0.40 0.59 -0.12 1.13 1.57 -0.69 0.73 116.57 120.17 1yho h LYS 98 Ca 0.01 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1yho h LYS 98 Cb 1.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1yho h LYS 98 CO 0.09 0.66 -0.08 1.25 -0.57 0.00 0.00 179.45 180.80 1yho h LEU 99 N 0.55 0.28 -1.12 2.94 5.85 -1.20 0.42 115.31 123.04 1yho h LEU 99 Ca 0.10 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1yho h LEU 99 Cb 0.46 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1yho h LEU 99 CO 0.02 0.67 -0.28 0.71 -0.34 0.00 0.00 178.44 179.22 1yho h THR 100 N -0.10 0.70 0.00 1.05 1.35 -1.28 -2.85 112.91 111.78 1yho h THR 100 Ca 0.02 -1.23 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 1yho h THR 100 Cb 0.57 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1yho h THR 100 CO 0.02 0.27 -0.70 -0.33 -0.25 0.00 0.00 175.52 174.53 1yho h GLU 101 N 0.00 0.00 -6.79 4.72 4.39 -0.76 -3.37 114.58 112.78 1yho h GLU 101 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1yho h GLU 101 Cb 0.77 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.48 1yho h GLU 101 CO 0.04 0.03 0.75 -0.65 -1.16 0.00 0.00 179.01 178.02 1yho s GLN 102 N -3.28 4.26 0.43 2.33 -0.21 0.13 -4.76 119.66 118.56 1yho s GLN 102 Ca 0.02 2.33 0.16 0.00 0.02 0.00 0.00 55.36 57.88 1yho s GLN 102 Cb 0.08 -3.09 1.05 0.00 1.00 0.00 0.00 33.01 32.06 1yho s GLN 102 CO 0.75 -0.41 1.92 -1.35 -2.12 0.00 0.00 175.29 174.09 1yho h PRO 103 N 4.60 0.40 -0.51 2.91 0.11 -1.90 0.58 132.00 138.20 1yho h PRO 103 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1yho h PRO 103 Cb 1.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1yho h PRO 103 CO 0.75 0.27 0.34 0.93 -0.21 0.00 0.00 178.00 180.07 1yho h GLU 104 N 0.41 0.50 0.00 1.05 5.08 -1.90 -2.67 114.58 117.06 1yho h GLU 104 Ca 0.37 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1yho h GLU 104 Cb 0.84 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1yho h GLU 104 CO -0.12 0.33 -2.12 1.28 -1.00 0.00 0.00 179.01 177.39 1yho n LEU 105 N -4.47 0.00 0.14 1.33 4.32 -0.18 -4.34 117.00 113.79 1yho n LEU 105 Ca 0.06 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.24 1yho n LEU 105 Cb 0.19 0.24 0.77 0.00 -1.62 0.00 0.00 43.42 43.00 1yho n LEU 105 CO 0.35 0.24 1.16 0.00 -1.22 0.00 0.00 177.39 177.92 1yho h ALA 106 N 1.39 2.03 -0.02 -1.18 0.00 0.44 0.68 119.26 122.59 1yho h ALA 106 Ca -0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1yho h ALA 106 Cb 1.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1yho h ALA 106 CO 0.01 -0.47 -0.61 -0.97 0.00 0.00 0.00 179.25 177.22 1yho h ASN 107 N 0.00 0.09 0.14 0.00 -0.73 -1.72 -3.28 115.58 110.08 1yho h ASN 107 Ca 0.15 -0.05 -0.36 0.00 1.87 0.00 0.00 56.30 57.91 1yho h ASN 107 Cb 0.76 -0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.27 1yho h ASN 107 CO -0.00 0.67 -2.17 0.29 -0.37 0.00 0.00 177.43 175.86 1yho n LYS 108 N -3.84 0.68 -4.38 6.67 5.02 0.51 -4.95 118.16 117.88 1yho n LYS 108 Ca -0.02 0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 1yho n LYS 108 Cb 0.61 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.54 3.24 0.00 -0.18 1.01 0.21 -3.07 120.40 119.07 1yho s VAL 109 Ca -0.19 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1yho s VAL 109 Cb 0.07 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1yho s VAL 109 CO 0.75 0.22 0.00 -0.67 0.00 0.00 0.00 175.10 175.40 1yho n ASP 110 N 1.09 0.44 -4.23 3.32 2.03 -1.20 -4.17 116.55 113.82 1yho n ASP 110 Ca -0.15 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.99 1yho n ASP 110 Cb 0.52 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.81 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 -2.00 1.00 0.08 -0.67 -1.94 -1.26 -4.19 119.30 110.32 1yho s MET 111 Ca 0.00 -1.23 0.07 0.00 -1.71 0.00 0.00 55.69 52.82 1yho s MET 111 Cb 0.00 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 1yho s MET 111 CO 0.00 0.16 -0.12 0.08 -0.01 0.00 0.00 175.02 175.13 1yho s VAL 112 N -2.19 3.21 -0.04 -6.03 1.01 -0.81 -2.22 120.40 113.33 1yho s VAL 112 Ca 0.09 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.89 1yho s VAL 112 Cb -0.05 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1yho s VAL 112 CO 0.03 0.20 -0.12 0.26 0.00 0.00 0.00 175.10 175.47 1yho s TRP 113 N -1.11 1.27 -0.25 5.22 0.52 0.14 -2.16 118.94 122.57 1yho s TRP 113 Ca 0.19 -0.35 -0.08 0.00 0.02 0.00 0.00 56.10 55.87 1yho s TRP 113 Cb -0.11 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1yho s TRP 113 CO 0.10 -0.14 0.10 0.42 0.02 0.00 0.00 176.95 177.45 1yho s ILE 114 N 0.19 4.60 -0.30 2.03 1.09 -0.70 -0.33 121.20 127.78 1yho s ILE 114 Ca -0.05 -0.07 0.07 0.00 -1.10 0.00 0.00 60.65 59.50 1yho s ILE 114 Cb -0.10 -3.16 0.46 0.00 -1.06 0.00 0.00 42.46 38.59 1yho s ILE 114 CO 0.01 0.32 1.18 1.33 -0.10 0.00 0.00 174.94 177.68 1yho n VAL 115 N 4.90 2.48 0.00 2.92 0.24 -0.92 -2.19 118.33 125.75 1yho n VAL 115 Ca -0.16 -4.25 0.00 0.00 -2.04 0.00 0.00 64.34 57.90 1yho n VAL 115 Cb 0.52 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 1yho n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yho n GLY 116 N -0.69 1.01 0.00 7.63 0.00 -1.26 -4.83 105.19 107.06 1yho n GLY 116 Ca 0.43 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 1.42 0.25 0.31 -0.02 0.00 -1.26 -3.03 105.19 102.85 1yho n GLY 117 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 1yho n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yho h SER 118 N 0.00 0.83 -0.53 1.61 4.64 -1.99 -2.27 113.55 115.83 1yho h SER 118 Ca 0.00 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1yho h SER 118 Cb 0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1yho h SER 118 CO 0.00 0.79 0.32 -1.28 -0.87 0.00 0.00 176.83 175.79 1yho h SER 119 N 0.86 0.52 -0.45 4.97 0.87 -2.00 -1.02 113.55 117.31 1yho h SER 119 Ca 0.19 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 1yho h SER 119 Cb 0.27 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1yho h SER 119 CO -0.01 0.36 -0.01 0.58 -0.53 0.00 0.00 176.83 177.23 1yho h VAL 120 N 0.63 1.25 -0.69 2.23 2.07 -1.80 -2.33 116.25 117.62 1yho h VAL 120 Ca 0.21 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1yho h VAL 120 Cb 0.02 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1yho h VAL 120 CO -0.09 0.38 0.28 0.22 0.02 0.00 0.00 177.57 178.37 1yho h TYR 121 N 0.80 1.05 -0.52 1.57 3.20 -0.83 -2.26 116.97 119.99 1yho h TYR 121 Ca 0.15 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1yho h TYR 121 Cb 0.49 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1yho h TYR 121 CO 0.03 0.82 0.11 -0.22 -1.64 0.00 0.00 178.16 177.25 1yho h LYS 122 N 0.98 0.85 -0.57 1.82 3.64 -0.99 -0.36 116.57 121.94 1yho h LYS 122 Ca 0.23 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1yho h LYS 122 Cb 0.21 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1yho h LYS 122 CO -0.02 0.82 0.36 0.93 -2.27 0.00 0.00 179.45 179.27 1yho h GLU 123 N 0.73 0.69 0.00 1.90 4.39 -1.19 -2.01 114.58 119.09 1yho h GLU 123 Ca 0.16 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1yho h GLU 123 Cb 0.37 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1yho h GLU 123 CO 0.01 0.46 -0.49 0.00 -1.16 0.00 0.00 179.01 177.82 1yho h ALA 124 N 1.24 0.98 -0.01 3.43 0.00 -1.26 -2.96 119.26 120.69 1yho h ALA 124 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1yho h ALA 124 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1yho h ALA 124 CO -0.09 0.62 0.04 0.52 0.00 0.00 0.00 179.25 180.34 1yho h MET 125 N 0.00 0.00 -0.72 0.00 2.86 -0.28 0.32 114.93 117.10 1yho h MET 125 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1yho h MET 125 Cb 1.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1yho h MET 125 CO 0.06 0.00 0.02 0.09 1.06 0.00 0.00 176.91 178.14 1yho n ASN 126 N -3.21 4.33 -4.63 1.22 4.13 -1.12 -4.90 115.26 111.09 1yho n ASN 126 Ca -0.03 -2.68 -0.41 0.00 1.68 0.00 0.00 54.58 53.15 1yho n ASN 126 Cb 0.11 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 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 -2.25 3.29 0.11 3.10 3.76 0.10 -4.95 115.29 118.45 1yho s HIS 127 Ca 0.39 0.90 -0.08 0.00 -0.15 0.00 0.00 55.06 56.12 1yho s HIS 127 Cb 0.30 -2.89 -0.13 0.00 1.11 0.00 0.00 32.58 30.96 1yho s HIS 127 CO 0.11 -0.34 1.28 -1.00 -0.85 0.00 0.00 174.74 173.94 1yho h PRO 128 N 7.83 0.56 -7.04 8.40 0.13 -1.90 -3.47 132.00 136.51 1yho h PRO 128 Ca -0.26 -0.57 -0.40 0.00 -0.87 0.00 0.00 66.00 63.91 1yho h PRO 128 Cb 1.12 0.15 0.22 0.00 0.13 0.00 0.00 31.00 32.62 1yho h PRO 128 CO 0.80 1.19 -0.10 0.20 -0.23 0.00 0.00 178.00 179.85 1yho s GLY 129 N -4.33 1.44 0.10 1.56 0.00 -1.26 -4.17 107.32 100.66 1yho s GLY 129 Ca -0.08 -0.58 -0.31 0.00 0.00 0.00 0.00 44.72 43.76 1yho s GLY 129 CO 0.89 0.35 1.86 0.30 0.00 0.00 0.00 173.10 176.50 1yho s HIS 130 N -2.26 1.93 -0.09 1.90 3.76 -1.26 -4.89 115.29 114.38 1yho s HIS 130 Ca 0.68 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 55.39 1yho s HIS 130 Cb -0.18 -4.19 0.03 0.00 1.11 0.00 0.00 32.58 29.35 1yho s HIS 130 CO 0.61 -5.01 0.24 -1.17 -0.85 0.00 0.00 174.74 168.55 1yho s LEU 131 N 3.18 1.01 -0.23 0.89 0.20 -1.26 -4.32 118.68 118.14 1yho s LEU 131 Ca 0.83 0.49 -0.08 0.00 0.69 0.00 0.00 54.13 56.05 1yho s LEU 131 Cb -0.45 0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 46.08 1yho s LEU 131 CO 0.37 -0.09 0.10 -0.54 -0.29 0.00 0.00 176.35 175.90 1yho s LYS 132 N 0.26 3.84 -0.29 1.98 1.02 -0.76 -1.95 119.74 123.84 1yho s LYS 132 Ca -0.01 -0.39 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 1yho s LYS 132 Cb -0.03 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1yho s LYS 132 CO -0.01 -0.03 0.05 -1.17 -0.92 0.00 0.00 175.35 173.27 1yho s LEU 133 N 1.24 3.74 -0.19 3.17 0.20 0.19 0.60 118.68 127.62 1yho s LEU 133 Ca 0.05 -0.77 -0.06 0.00 0.69 0.00 0.00 54.13 54.05 1yho s LEU 133 Cb -0.14 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 1yho s LEU 133 CO 0.04 -0.19 0.02 -0.36 -0.29 0.00 0.00 176.35 175.57 1yho s PHE 134 N 1.46 3.09 -0.03 5.38 0.40 0.25 0.10 117.98 128.63 1yho s PHE 134 Ca 0.02 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 1yho s PHE 134 Cb -0.17 -2.07 -0.00 0.00 0.51 0.00 0.00 43.02 41.28 1yho s PHE 134 CO 0.01 -0.11 -0.13 0.14 0.70 0.00 0.00 175.22 175.83 1yho s VAL 135 N 0.79 1.08 -0.19 -0.44 -7.23 -0.80 -0.99 120.40 112.62 1yho s VAL 135 Ca 0.01 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.62 1yho s VAL 135 Cb -0.14 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 1yho s VAL 135 CO 0.02 0.32 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.18 1yho s THR 136 N 0.10 3.35 -0.26 5.32 2.01 -0.68 -1.14 115.64 124.34 1yho s THR 136 Ca -0.03 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1yho s THR 136 Cb -0.10 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1yho s THR 136 CO 0.01 0.46 0.27 -0.13 -0.69 0.00 0.00 174.62 174.54 1yho s ARG 137 N 1.06 4.03 -0.41 4.92 0.52 -0.28 0.71 118.95 129.49 1yho s ARG 137 Ca 0.01 -0.12 -0.15 0.00 -0.52 0.00 0.00 55.73 54.95 1yho s ARG 137 Cb -0.15 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 31.73 1yho s ARG 137 CO -0.01 -0.14 0.32 0.42 0.02 0.00 0.00 175.30 175.91 1yho s ILE 138 N 1.66 5.24 -1.22 1.52 -1.09 -0.27 -0.32 121.20 126.72 1yho s ILE 138 Ca 0.11 -0.60 -0.21 0.00 -2.23 0.00 0.00 60.65 57.73 1yho s ILE 138 Cb -0.15 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1yho s ILE 138 CO 0.09 -0.31 1.82 -0.32 -1.23 0.00 0.00 174.94 174.98 1yho s MET 139 N 1.75 3.24 -0.18 2.79 1.75 0.19 -0.70 119.30 128.13 1yho s MET 139 Ca 0.06 -1.50 -0.28 0.00 -1.25 0.00 0.00 55.69 52.71 1yho s MET 139 Cb -0.19 -5.38 0.10 0.00 2.84 0.00 0.00 34.83 32.21 1yho s MET 139 CO 0.11 -3.07 0.87 -1.14 -0.65 0.00 0.00 175.02 171.13 1yho s GLN 140 N 5.39 0.75 -0.28 4.11 2.00 -1.26 -4.18 119.66 126.19 1yho s GLN 140 Ca 0.61 0.45 -0.25 0.00 -2.00 0.00 0.00 55.36 54.17 1yho s GLN 140 Cb 0.01 0.36 0.00 0.00 0.80 0.00 0.00 33.01 34.18 1yho s GLN 140 CO 0.09 -0.18 0.85 0.34 -0.50 0.00 0.00 175.29 175.89 1yho s ASP 141 N -0.52 6.78 0.03 6.67 -1.08 -1.26 -4.08 116.67 123.21 1yho s ASP 141 Ca -0.03 0.88 -0.18 0.00 -0.52 0.00 0.00 52.55 52.71 1yho s ASP 141 Cb -0.02 -2.44 0.03 0.00 -1.46 0.00 0.00 42.92 39.03 1yho s ASP 141 CO 0.02 -0.61 0.40 -0.36 0.52 0.00 0.00 175.17 175.13 1yho s PHE 142 N 3.01 -0.26 0.02 -5.34 0.08 -1.26 -5.08 117.98 109.16 1yho s PHE 142 Ca 0.35 0.26 -0.20 0.00 0.12 0.00 0.00 56.93 57.47 1yho s PHE 142 Cb -0.14 0.19 -0.06 0.00 -0.57 0.00 0.00 43.02 42.44 1yho s PHE 142 CO 0.11 -0.53 0.57 -1.21 -0.10 0.00 0.00 175.22 174.06 1yho s GLU 143 N -2.18 4.25 0.00 0.44 2.02 -1.26 -4.81 118.70 117.17 1yho s GLU 143 Ca -0.07 0.71 0.01 0.00 0.02 0.00 0.00 54.97 55.64 1yho s GLU 143 Cb -0.02 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.91 1yho s GLU 143 CO -0.00 0.48 -0.02 -1.12 0.02 0.00 0.00 175.26 174.62 1yho s SER 144 N -0.57 0.26 -0.15 -0.19 0.01 -1.26 -4.62 113.70 107.18 1yho s SER 144 Ca 0.30 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 1yho s SER 144 Cb -0.19 -0.01 -0.25 0.00 0.21 0.00 0.00 66.02 65.79 1yho s SER 144 CO 0.18 -0.03 0.64 0.44 0.41 0.00 0.00 173.24 174.87 1yho h ASP 145 N 5.83 0.05 -3.37 2.44 3.32 -1.89 -3.45 116.42 119.35 1yho h ASP 145 Ca -0.27 -0.87 -0.58 0.00 0.02 0.00 0.00 57.03 55.33 1yho h ASP 145 Cb 1.20 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 1yho h ASP 145 CO 0.49 1.18 -0.10 -0.89 -1.72 0.00 0.00 179.24 178.19 1yho s THR 146 N -2.28 5.16 0.06 0.35 2.01 -1.22 -5.06 115.64 114.66 1yho s THR 146 Ca -0.21 0.97 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 1yho s THR 146 Cb -0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1yho s THR 146 CO 0.68 0.28 0.23 -0.36 -0.69 0.00 0.00 174.62 174.76 1yho s PHE 147 N 0.93 3.52 -0.27 4.92 0.08 -1.26 -2.62 117.98 123.28 1yho s PHE 147 Ca 0.26 0.33 -0.17 0.00 0.12 0.00 0.00 56.93 57.46 1yho s PHE 147 Cb -0.15 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1yho s PHE 147 CO 0.10 0.58 0.49 0.12 -0.10 0.00 0.00 175.22 176.41 1yho s PHE 148 N -1.49 3.25 0.60 0.36 2.19 0.19 -4.95 117.98 118.12 1yho s PHE 148 Ca 0.34 0.54 -0.18 0.00 0.33 0.00 0.00 56.93 57.96 1yho s PHE 148 Cb -0.13 -2.72 -0.06 0.00 -1.31 0.00 0.00 43.02 38.80 1yho s PHE 148 CO 0.26 -0.31 0.77 -2.30 1.83 0.00 0.00 175.22 175.47 1yho n PRO 149 N 5.53 0.70 -2.63 10.12 -0.02 -1.26 -4.94 135.00 142.50 1yho n PRO 149 Ca -0.05 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 1yho n PRO 149 Cb 0.50 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 1yho n PRO 149 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1yho s GLU 150 N -2.51 4.72 -0.02 -0.52 2.12 -1.26 -5.03 118.70 116.20 1yho s GLU 150 Ca 0.73 1.61 -0.18 0.00 0.36 0.00 0.00 54.97 57.49 1yho s GLU 150 Cb -0.42 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 1yho s GLU 150 CO 0.50 0.29 0.50 0.42 -0.54 0.00 0.00 175.26 176.43 1yho s ILE 151 N -0.74 4.98 -0.19 -3.70 1.01 -1.26 -5.05 121.20 116.26 1yho s ILE 151 Ca 0.45 1.04 -0.25 0.00 0.00 0.00 0.00 60.65 61.88 1yho s ILE 151 Cb -0.28 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1yho s ILE 151 CO 0.34 0.47 0.83 -1.81 0.00 0.00 0.00 174.94 174.78 1yho s ASP 152 N -0.44 6.92 0.42 3.58 1.11 -1.26 -4.93 116.67 122.06 1yho s ASP 152 Ca 0.27 1.14 0.19 0.00 0.18 0.00 0.00 52.55 54.32 1yho s ASP 152 Cb -0.17 -2.45 0.92 0.00 1.07 0.00 0.00 42.92 42.29 1yho s ASP 152 CO 0.15 -0.44 1.87 -0.07 1.18 0.00 0.00 175.17 177.86 1yho h LEU 153 N 8.58 0.00 -1.33 1.23 3.38 -1.97 0.71 115.31 125.91 1yho h LEU 153 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1yho h LEU 153 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1yho h LEU 153 CO 0.85 0.30 -0.25 -0.33 0.09 0.00 0.00 178.44 179.10 1yho h GLU 154 N 0.00 0.13 0.00 1.13 4.39 -2.02 -3.23 114.58 114.98 1yho h GLU 154 Ca -0.00 -0.04 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 1yho h GLU 154 Cb 0.63 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.20 1yho h GLU 154 CO 0.04 0.38 -2.21 1.63 -1.16 0.00 0.00 179.01 177.69 1yho n LYS 155 N -4.20 0.93 -4.12 2.33 4.01 -1.00 -4.98 118.16 111.14 1yho n LYS 155 Ca -0.01 0.05 -0.32 0.00 -0.51 0.00 0.00 58.31 57.52 1yho n LYS 155 Cb 0.33 -1.44 -0.07 0.00 -0.51 0.00 0.00 35.03 33.34 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1yho s TYR 156 N -2.43 3.18 -0.15 2.13 1.51 0.25 -1.99 117.35 119.85 1yho s TYR 156 Ca -0.17 0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 55.93 1yho s TYR 156 Cb 0.06 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1yho s TYR 156 CO 0.62 0.52 0.08 0.21 -1.11 0.00 0.00 175.55 175.87 1yho s LYS 157 N -2.01 3.73 -0.31 -0.62 2.20 -0.19 -4.16 119.74 118.36 1yho s LYS 157 Ca 0.25 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.38 1yho s LYS 157 Cb -0.12 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1yho s LYS 157 CO 0.17 0.47 0.62 -1.17 -0.36 0.00 0.00 175.35 175.09 1yho s LEU 158 N -0.19 4.16 -0.50 5.43 0.20 -1.26 -1.97 118.68 124.55 1yho s LEU 158 Ca 0.09 0.38 0.01 0.00 0.69 0.00 0.00 54.13 55.30 1yho s LEU 158 Cb -0.12 -2.80 0.13 0.00 -0.43 0.00 0.00 46.19 42.97 1yho s LEU 158 CO 0.01 -0.49 0.27 -0.76 -0.29 0.00 0.00 176.35 175.09 1yho s LEU 159 N 2.60 4.82 0.04 -0.68 1.02 0.17 -4.96 118.68 121.68 1yho s LEU 159 Ca 0.25 -2.66 -0.21 0.00 0.02 0.00 0.00 54.13 51.52 1yho s LEU 159 Cb -0.15 -1.73 -0.14 0.00 0.02 0.00 0.00 46.19 44.19 1yho s LEU 159 CO 0.12 -0.35 1.39 1.55 0.02 0.00 0.00 176.35 179.08 1yho h PRO 160 N 7.10 0.26 -4.56 1.29 0.13 -1.93 -1.92 132.00 132.37 1yho h PRO 160 Ca -0.06 -0.12 -0.70 0.00 -0.87 0.00 0.00 66.00 64.25 1yho h PRO 160 Cb 0.96 -0.01 -0.29 0.00 0.13 0.00 0.00 31.00 31.79 1yho h PRO 160 CO 0.67 0.60 -0.55 -1.21 -0.23 0.00 0.00 178.00 177.28 1yho s GLU 161 N -4.56 2.52 0.02 0.86 2.02 -1.26 -4.73 118.70 113.58 1yho s GLU 161 Ca -0.14 -1.38 0.07 0.00 0.02 0.00 0.00 54.97 53.53 1yho s GLU 161 Cb 0.05 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1yho s GLU 161 CO 0.73 -0.84 -0.21 -0.47 0.02 0.00 0.00 175.26 174.48 1yho s TYR 162 N 1.37 1.89 0.33 1.61 5.04 -1.26 -5.11 117.35 121.22 1yho s TYR 162 Ca 0.01 -0.37 -0.29 0.00 -2.44 0.00 0.00 57.07 53.98 1yho s TYR 162 Cb -0.21 -1.16 -0.11 0.00 0.35 0.00 0.00 41.96 40.83 1yho s TYR 162 CO 0.01 0.05 1.44 -2.14 -1.34 0.00 0.00 175.55 173.58 1yho s PRO 163 N -0.95 4.21 0.00 4.97 0.02 -1.26 -2.87 135.00 139.12 1yho s PRO 163 Ca 0.08 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1yho s PRO 163 Cb -0.09 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1yho s PRO 163 CO 0.01 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1yho n GLY 164 N 1.13 2.77 3.49 0.52 0.00 -1.26 -5.00 105.19 106.84 1yho n GLY 164 Ca 0.03 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.11 4.34 0.56 1.61 0.11 -1.14 -5.08 120.40 119.69 1yho s VAL 165 Ca 0.00 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 1yho s VAL 165 Cb 0.00 -3.00 -0.05 0.00 -1.53 0.00 0.00 36.38 31.81 1yho s VAL 165 CO 0.00 0.39 1.32 0.18 -3.33 0.00 0.00 175.10 173.65 1yho n LEU 166 N 4.44 5.37 -0.06 2.54 4.77 -1.26 -4.38 117.00 128.43 1yho n LEU 166 Ca -0.16 0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 56.76 1yho n LEU 166 Cb 0.52 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.89 1yho n LEU 166 CO 0.32 -0.74 -0.97 -0.24 -1.33 0.00 0.00 177.39 174.43 1yho n SER 167 N -1.03 0.01 -4.73 -1.43 2.88 -1.26 -4.60 113.62 103.45 1yho n SER 167 Ca 0.11 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.30 1yho n SER 167 Cb 0.45 1.44 0.07 0.00 -0.75 0.00 0.00 64.21 65.41 1yho n SER 167 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1yho s ASP 168 N -5.06 4.58 -0.10 -3.46 1.11 -1.26 -4.76 116.67 107.73 1yho s ASP 168 Ca -0.09 2.46 -0.30 0.00 0.18 0.00 0.00 52.55 54.80 1yho s ASP 168 Cb 0.10 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 1yho s ASP 168 CO 0.87 -2.01 1.14 -0.69 1.18 0.00 0.00 175.17 175.66 1yho s VAL 169 N -1.69 4.44 0.61 -1.27 1.01 -1.26 -4.76 120.40 117.49 1yho s VAL 169 Ca 0.78 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 64.47 1yho s VAL 169 Cb -0.32 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1yho s VAL 169 CO 0.40 -0.03 0.89 -1.10 0.00 0.00 0.00 175.10 175.26 1yho s GLN 170 N 2.38 2.57 -0.14 2.72 1.11 -0.73 -4.91 119.66 122.65 1yho s GLN 170 Ca 0.53 -0.35 -0.07 0.00 0.01 0.00 0.00 55.36 55.48 1yho s GLN 170 Cb -0.22 -2.32 0.06 0.00 -1.01 0.00 0.00 33.01 29.52 1yho s GLN 170 CO 0.19 -0.86 0.33 -2.00 0.01 0.00 0.00 175.29 172.96 1yho s GLU 171 N -4.98 0.28 -0.06 2.91 2.12 -1.26 -2.00 118.70 115.71 1yho s GLU 171 Ca 0.56 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.59 1yho s GLU 171 Cb -0.10 -0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.30 1yho s GLU 171 CO 0.42 -0.19 0.11 -2.00 -0.54 0.00 0.00 175.26 173.07 1yho s GLU 172 N 1.62 0.02 -1.56 4.30 -6.30 0.31 -4.84 118.70 112.24 1yho s GLU 172 Ca -0.07 0.39 -0.03 0.00 -2.50 0.00 0.00 54.97 52.76 1yho s GLU 172 Cb -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 34.13 33.77 1yho s GLU 172 CO -0.11 -0.23 0.30 1.63 0.02 0.00 0.00 175.26 176.88 1yho n LYS 173 N 4.67 -3.28 -1.02 4.30 4.76 -1.26 -0.76 118.16 125.57 1yho n LYS 173 Ca -0.18 0.87 -0.01 0.00 -2.87 0.00 0.00 58.31 56.13 1yho n LYS 173 Cb 0.51 -5.62 -0.00 0.00 -1.84 0.00 0.00 35.03 28.07 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yho n GLY 174 N -1.22 0.47 3.18 0.72 0.00 -1.26 -5.02 105.19 102.06 1yho n GLY 174 Ca -0.16 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 2.53 -0.07 -0.61 1.01 0.06 -5.11 121.20 117.01 1yho s ILE 175 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1yho s ILE 175 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1yho s ILE 175 CO 0.00 0.46 0.22 -1.59 0.00 0.00 0.00 174.94 174.04 1yho s LYS 176 N 1.35 3.57 -0.01 2.79 -2.85 -1.26 -0.53 119.74 122.79 1yho s LYS 176 Ca 0.05 -0.01 -0.20 0.00 -1.00 0.00 0.00 55.97 54.81 1yho s LYS 176 Cb -0.14 -3.18 0.04 0.00 -2.06 0.00 0.00 37.83 32.49 1yho s LYS 176 CO -0.09 0.74 0.43 1.52 0.10 0.00 0.00 175.35 178.04 1yho s TYR 177 N -1.10 -0.33 0.19 1.78 1.13 -0.85 -0.64 117.35 117.55 1yho s TYR 177 Ca 0.19 0.49 0.10 0.00 -1.41 0.00 0.00 57.07 56.45 1yho s TYR 177 Cb -0.13 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 1yho s TYR 177 CO 0.09 -0.49 -0.18 0.21 -2.51 0.00 0.00 175.55 172.67 1yho s LYS 178 N -1.54 1.75 -0.22 -3.49 2.20 0.56 -1.77 119.74 117.22 1yho s LYS 178 Ca -0.11 -1.44 -0.06 0.00 -0.36 0.00 0.00 55.97 54.00 1yho s LYS 178 Cb -0.03 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 1yho s LYS 178 CO 0.04 0.41 0.02 -0.06 -0.36 0.00 0.00 175.35 175.41 1yho s PHE 179 N -1.74 3.06 0.05 4.03 0.40 -1.26 -1.12 117.98 121.40 1yho s PHE 179 Ca 0.23 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1yho s PHE 179 Cb -0.08 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 1yho s PHE 179 CO 0.12 -0.30 -0.17 -1.21 0.70 0.00 0.00 175.22 174.36 1yho s GLU 180 N 1.25 2.05 -0.09 0.44 2.02 -0.29 -4.86 118.70 119.21 1yho s GLU 180 Ca 0.04 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.05 1yho s GLU 180 Cb -0.15 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 1yho s GLU 180 CO 0.02 0.53 -0.16 0.08 0.02 0.00 0.00 175.26 175.75 1yho s VAL 181 N -0.98 2.84 0.03 2.63 1.01 -0.72 -1.90 120.40 123.31 1yho s VAL 181 Ca 0.16 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1yho s VAL 181 Cb -0.11 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1yho s VAL 181 CO 0.06 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.25 1yho s TYR 182 N -0.04 1.40 0.13 5.22 1.51 0.29 0.43 117.35 126.28 1yho s TYR 182 Ca -0.04 -0.34 0.10 0.00 -1.01 0.00 0.00 57.07 55.78 1yho s TYR 182 Cb -0.14 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1yho s TYR 182 CO 0.04 0.04 -0.25 -1.21 -1.11 0.00 0.00 175.55 173.06 1yho s GLU 183 N -1.03 1.34 -0.27 -0.62 2.02 -0.83 0.52 118.70 119.84 1yho s GLU 183 Ca 0.04 -1.33 -0.10 0.00 0.02 0.00 0.00 54.97 53.60 1yho s GLU 183 Cb -0.08 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 1yho s GLU 183 CO 0.01 0.41 0.15 0.21 0.02 0.00 0.00 175.26 176.06 1yho s LYS 184 N -2.12 3.89 -0.16 1.61 2.36 -0.82 -1.03 119.74 123.47 1yho s LYS 184 Ca 0.13 -0.35 -0.02 0.00 -2.55 0.00 0.00 55.97 53.18 1yho s LYS 184 Cb -0.10 -3.56 -0.02 0.00 -1.05 0.00 0.00 37.83 33.11 1yho s LYS 184 CO 0.06 -0.15 -0.09 -0.80 1.55 0.00 0.00 175.35 175.93 1yho s ASN 185 N 1.62 4.27 0.00 1.43 0.01 -0.84 -4.34 114.94 117.10 1yho s ASN 185 Ca 0.07 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 1yho s ASN 185 Cb -0.15 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1yho s ASN 185 CO 0.08 0.12 0.00 -0.67 -1.51 0.00 0.00 177.10 175.13