#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 0.56 3.38 2.92 0.00 -1.17 -5.05 105.19 105.84 1yho n GLY 2 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.85 4.90 -0.24 1.61 0.01 -1.26 -4.81 113.70 111.05 1yho s SER 3 Ca 0.00 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 56.82 1yho s SER 3 Cb 0.00 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1yho s SER 3 CO 0.00 -0.07 0.02 -0.76 0.41 0.00 0.00 173.24 172.84 1yho s LEU 4 N 1.55 3.27 -0.22 2.44 1.02 -1.26 -1.58 118.68 123.91 1yho s LEU 4 Ca 0.05 -0.36 -0.04 0.00 0.02 0.00 0.00 54.13 53.80 1yho s LEU 4 Cb -0.15 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1yho s LEU 4 CO 0.01 -0.05 -0.03 0.20 0.02 0.00 0.00 176.35 176.51 1yho s ASN 5 N 1.54 4.47 -0.01 2.29 -0.87 0.12 -2.23 114.94 120.24 1yho s ASN 5 Ca 0.06 -0.34 -0.00 0.00 -1.57 0.00 0.00 52.86 51.01 1yho s ASN 5 Cb -0.15 -1.77 -0.04 0.00 -0.02 0.00 0.00 41.25 39.27 1yho s ASN 5 CO 0.01 0.00 0.06 0.00 -2.57 0.00 0.00 177.10 174.60 1yho s ILE 7 N -1.15 -0.37 -0.06 0.00 2.07 -0.87 0.90 121.20 121.72 1yho s ILE 7 Ca 0.21 0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 59.60 1yho s ILE 7 Cb -0.12 -0.43 0.03 0.00 0.13 0.00 0.00 42.46 42.07 1yho s ILE 7 CO 0.12 0.12 0.30 0.68 -1.91 0.00 0.00 174.94 174.25 1yho s VAL 8 N 2.32 0.03 0.21 4.00 -7.23 0.68 -4.55 120.40 115.85 1yho s VAL 8 Ca 0.01 -0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1yho s VAL 8 Cb -0.12 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1yho s VAL 8 CO -0.08 -0.15 0.40 0.00 -0.31 0.00 0.00 175.10 174.95 1yho s ALA 9 N -0.67 3.83 -0.03 1.32 0.00 -1.26 -1.67 121.76 123.28 1yho s ALA 9 Ca -0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1yho s ALA 9 Cb -0.04 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1yho s ALA 9 CO 0.02 0.41 0.16 0.14 0.00 0.00 0.00 175.76 176.50 1yho s VAL 10 N -1.89 0.05 0.78 0.00 -7.23 0.15 -4.71 120.40 107.55 1yho s VAL 10 Ca 0.38 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1yho s VAL 10 Cb -0.11 -0.37 0.06 0.00 0.56 0.00 0.00 36.38 36.51 1yho s VAL 10 CO 0.29 -0.22 1.14 -0.94 -0.31 0.00 0.00 175.10 175.05 1yho s SER 11 N -0.80 4.78 0.61 4.85 1.04 0.15 -0.93 113.70 123.40 1yho s SER 11 Ca -0.09 0.98 0.33 0.00 0.48 0.00 0.00 55.95 57.65 1yho s SER 11 Cb -0.05 -1.61 1.95 0.00 0.10 0.00 0.00 66.02 66.40 1yho s SER 11 CO 0.01 -1.75 2.27 -0.61 0.98 0.00 0.00 173.24 174.14 1yho h GLN 12 N -0.94 0.00 -0.81 4.02 4.15 -0.68 -0.18 115.11 120.67 1yho h GLN 12 Ca -0.46 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 58.78 1yho h GLN 12 Cb 1.30 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.88 1yho h GLN 12 CO 0.64 0.00 0.23 0.09 -1.93 0.00 0.00 178.83 177.87 1yho n ASN 13 N -3.67 4.30 -2.97 -0.69 3.02 -1.26 -4.88 115.26 109.11 1yho n ASN 13 Ca -0.03 -2.99 -0.21 0.00 -0.03 0.00 0.00 54.58 51.32 1yho n ASN 13 Cb 0.10 -0.71 0.05 0.00 -0.61 0.00 0.00 39.78 38.61 1yho n ASN 13 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1yho n MET 14 N -0.08 -5.46 -4.01 3.52 2.81 -0.08 -4.96 117.12 108.85 1yho n MET 14 Ca 0.34 0.82 -0.24 0.00 -1.81 0.00 0.00 57.70 56.81 1yho n MET 14 Cb 1.21 -5.58 -0.04 0.00 -0.71 0.00 0.00 33.22 28.11 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 -2.91 1.54 -0.04 3.03 0.00 -1.23 -1.87 107.32 105.83 1yho s GLY 15 Ca 0.37 -1.18 -0.00 0.00 0.00 0.00 0.00 44.72 43.90 1yho s GLY 15 CO 0.45 -1.20 -0.04 0.29 0.00 0.00 0.00 173.10 172.61 1yho n ILE 16 N -0.82 0.24 0.00 0.90 -5.35 -1.13 0.30 119.36 113.50 1yho n ILE 16 Ca -0.08 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1yho n ILE 16 Cb 0.55 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.65 1yho n ILE 16 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yho n GLY 17 N 3.20 1.49 3.08 3.28 0.00 -1.26 -4.23 105.19 110.74 1yho n GLY 17 Ca -0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1yho n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yho s LYS 18 N -2.00 2.44 -1.67 1.61 -2.85 0.29 -3.75 119.74 113.80 1yho s LYS 18 Ca 0.00 -0.63 -0.00 0.00 -1.00 0.00 0.00 55.97 54.33 1yho s LYS 18 Cb 0.00 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 1yho s LYS 18 CO 0.00 -0.09 0.06 -1.71 0.10 0.00 0.00 175.35 173.71 1yho n ASN 19 N 4.29 -5.70 0.00 0.03 4.05 -1.26 -1.54 115.26 115.13 1yho n ASN 19 Ca -0.19 -0.05 0.00 0.00 0.45 0.00 0.00 54.58 54.80 1yho n ASN 19 Cb 0.51 -4.71 0.00 0.00 1.23 0.00 0.00 39.78 36.81 1yho n ASN 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1yho n GLY 20 N -1.07 0.44 3.15 8.20 0.00 -1.26 -5.05 105.19 109.60 1yho n GLY 20 Ca -0.22 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.91 1.91 0.43 1.61 2.15 -0.59 -5.02 116.67 114.25 1yho s ASP 21 Ca 0.00 -0.34 -0.25 0.00 0.43 0.00 0.00 52.55 52.39 1yho s ASP 21 Cb 0.00 -0.19 -0.08 0.00 -0.30 0.00 0.00 42.92 42.35 1yho s ASP 21 CO 0.00 0.17 1.25 -0.76 -0.17 0.00 0.00 175.17 175.66 1yho s LEU 22 N -0.59 4.13 0.42 -1.34 1.43 -1.26 0.10 118.68 121.56 1yho s LEU 22 Ca 0.06 2.53 0.16 0.00 -1.03 0.00 0.00 54.13 55.84 1yho s LEU 22 Cb -0.07 -4.04 1.04 0.00 0.03 0.00 0.00 46.19 43.15 1yho s LEU 22 CO -0.00 -0.91 1.89 -0.65 0.23 0.00 0.00 176.35 176.91 1yho h PRO 23 N 2.40 0.43 -5.89 1.29 0.11 -1.88 -3.41 132.00 125.04 1yho h PRO 23 Ca -0.49 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 64.94 1yho h PRO 23 Cb 1.25 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1yho h PRO 23 CO 0.61 0.28 -0.53 1.67 -0.21 0.00 0.00 178.00 179.83 1yho s TRP 24 N -5.44 3.44 1.19 0.65 -2.14 -1.26 -4.77 118.94 110.61 1yho s TRP 24 Ca -0.08 0.29 -0.17 0.00 2.66 0.00 0.00 56.10 58.80 1yho s TRP 24 Cb 0.22 -1.79 0.25 0.00 -3.10 0.00 0.00 33.47 29.05 1yho s TRP 24 CO 0.77 0.61 0.56 -2.30 -2.66 0.00 0.00 176.95 173.93 1yho n PRO 25 N 1.05 -3.24 -1.69 3.25 -0.02 -1.26 -4.78 135.00 128.31 1yho n PRO 25 Ca -0.12 -0.96 -0.50 0.00 -2.02 0.00 0.00 63.50 59.90 1yho n PRO 25 Cb 0.53 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 1yho n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yho n PRO 26 N -3.41 1.99 -3.70 0.52 -0.02 -1.26 -4.95 135.00 124.17 1yho n PRO 26 Ca 0.08 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 1yho n PRO 26 Cb 0.45 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 1yho n PRO 26 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1yho s LEU 27 N 3.87 3.71 0.12 2.45 2.96 -1.26 -4.98 118.68 125.55 1yho s LEU 27 Ca 0.93 -0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 1yho s LEU 27 Cb -0.76 -1.97 -0.10 0.00 0.50 0.00 0.00 46.19 43.86 1yho s LEU 27 CO 0.54 -0.08 1.37 -0.09 -1.32 0.00 0.00 176.35 176.77 1yho h ARG 28 N 8.29 0.80 -0.39 1.98 1.12 -1.98 -2.25 114.38 121.94 1yho h ARG 28 Ca -0.36 -0.58 -0.11 0.00 -1.11 0.00 0.00 59.98 57.82 1yho h ARG 28 Cb 1.17 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.22 1yho h ARG 28 CO 0.58 1.20 -0.19 -0.91 -3.11 0.00 0.00 179.97 177.54 1yho h ASN 29 N 0.58 0.85 -0.43 -3.80 4.21 -1.95 -0.97 115.58 114.07 1yho h ASN 29 Ca -0.02 -0.41 -0.04 0.00 1.21 0.00 0.00 56.30 57.04 1yho h ASN 29 Cb 1.28 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 1yho h ASN 29 CO 0.14 1.07 0.10 -0.08 -1.29 0.00 0.00 177.43 177.37 1yho h GLU 30 N 0.63 0.68 0.07 0.81 4.81 -1.97 0.43 114.58 120.04 1yho h GLU 30 Ca 0.09 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1yho h GLU 30 Cb 0.75 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1yho h GLU 30 CO 0.06 0.69 -0.03 0.74 -0.73 0.00 0.00 179.01 179.74 1yho h PHE 31 N 0.55 -0.09 -0.61 0.92 -1.00 -1.37 0.65 116.94 115.99 1yho h PHE 31 Ca 0.13 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.84 1yho h PHE 31 Cb 0.32 0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 1yho h PHE 31 CO 0.02 0.20 0.09 0.00 -1.61 0.00 0.00 178.31 177.01 1yho h ARG 32 N -0.37 1.00 -0.08 1.51 3.08 -1.15 -2.36 114.38 116.00 1yho h ARG 32 Ca -0.01 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.68 1yho h ARG 32 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1yho h ARG 32 CO 0.02 0.93 -0.40 -0.92 -1.07 0.00 0.00 179.97 178.52 1yho h TYR 33 N 0.94 0.21 -0.11 3.04 3.20 -0.08 -1.75 116.97 122.42 1yho h TYR 33 Ca 0.19 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1yho h TYR 33 Cb 0.42 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1yho h TYR 33 CO 0.03 0.56 -0.03 0.35 -1.64 0.00 0.00 178.16 177.43 1yho h PHE 34 N 0.15 0.24 -0.54 -3.82 3.04 -0.47 -2.18 116.94 113.36 1yho h PHE 34 Ca 0.01 -0.05 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 1yho h PHE 34 Cb 0.78 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1yho h PHE 34 CO 0.01 0.52 -0.04 1.96 -2.02 0.00 0.00 178.31 178.74 1yho h GLN 35 N -0.11 0.96 0.13 1.11 4.20 -1.38 -2.00 115.11 118.03 1yho h GLN 35 Ca 0.03 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1yho h GLN 35 Cb 0.44 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1yho h GLN 35 CO 0.01 0.97 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.98 1yho h ARG 36 N 0.87 -0.18 -0.38 1.46 2.43 -1.29 0.41 114.38 117.70 1yho h ARG 36 Ca 0.15 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1yho h ARG 36 Cb 0.57 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1yho h ARG 36 CO 0.03 -0.12 0.23 0.52 -1.51 0.00 0.00 179.97 179.12 1yho h MET 37 N -0.19 0.52 -0.34 0.20 2.86 -1.34 0.15 114.93 116.79 1yho h MET 37 Ca -0.02 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1yho h MET 37 Cb 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1yho h MET 37 CO 0.02 0.39 0.11 1.79 1.06 0.00 0.00 176.91 180.28 1yho h THR 38 N 0.50 1.20 -0.82 2.22 1.35 -1.19 -2.92 112.91 113.26 1yho h THR 38 Ca 0.14 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.31 1yho h THR 38 Cb 0.00 1.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.38 1yho h THR 38 CO -0.03 0.23 0.40 0.71 -0.25 0.00 0.00 175.52 176.58 1yho h THR 39 N 0.39 1.25 -0.60 6.82 1.35 0.00 -3.37 112.91 118.75 1yho h THR 39 Ca 0.11 -0.68 -0.28 0.00 -0.55 0.00 0.00 66.41 65.01 1yho h THR 39 Cb 0.24 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 66.81 1yho h THR 39 CO -0.00 0.30 0.77 -0.89 -0.25 0.00 0.00 175.52 175.44 1yho s THR 40 N -5.68 3.44 0.13 6.82 2.01 0.02 -4.94 115.64 117.44 1yho s THR 40 Ca -0.12 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 1yho s THR 40 Cb 0.17 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1yho s THR 40 CO 0.82 -0.88 0.30 -0.94 -0.69 0.00 0.00 174.62 173.23 1yho s SER 41 N 7.76 6.38 -0.47 3.53 1.04 -1.26 -4.93 113.70 125.75 1yho s SER 41 Ca 0.71 0.32 0.03 0.00 0.48 0.00 0.00 55.95 57.50 1yho s SER 41 Cb -0.05 -1.98 0.58 0.00 0.10 0.00 0.00 66.02 64.67 1yho s SER 41 CO 0.04 0.07 1.84 -1.20 0.98 0.00 0.00 173.24 174.97 1yho n SER 42 N -0.20 4.55 -3.60 7.02 7.64 -1.26 -4.86 113.62 122.91 1yho n SER 42 Ca -0.05 -3.69 -0.24 0.00 1.01 0.00 0.00 58.87 55.90 1yho n SER 42 Cb 0.53 -0.82 -0.16 0.00 -1.01 0.00 0.00 64.21 62.74 1yho n SER 42 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1yho s VAL 43 N -3.73 -0.13 0.09 0.44 -7.23 -1.26 -5.14 120.40 103.44 1yho s VAL 43 Ca 0.57 -0.07 -0.24 0.00 -1.81 0.00 0.00 61.98 60.43 1yho s VAL 43 Cb 0.47 -0.53 -0.06 0.00 0.56 0.00 0.00 36.38 36.82 1yho s VAL 43 CO 0.06 -0.20 0.73 -0.70 -0.31 0.00 0.00 175.10 174.68 1yho s GLU 44 N 2.18 4.47 0.00 4.82 2.12 -1.26 -3.73 118.70 127.29 1yho s GLU 44 Ca 0.03 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1yho s GLU 44 Cb -0.15 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1yho s GLU 44 CO -0.09 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 1yho n GLY 45 N 2.03 0.49 3.20 -1.50 0.00 -1.26 -5.04 105.19 103.12 1yho n GLY 45 Ca -0.05 -0.44 -0.12 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 -0.84 0.94 0.21 1.61 3.01 -1.24 -5.02 119.74 118.39 1yho s LYS 46 Ca 0.00 -1.39 0.09 0.00 -1.01 0.00 0.00 55.97 53.66 1yho s LYS 46 Cb 0.00 -0.36 -0.04 0.00 -1.01 0.00 0.00 37.83 36.42 1yho s LYS 46 CO 0.00 0.01 -0.08 -0.65 0.51 0.00 0.00 175.35 175.13 1yho s GLN 47 N -3.81 2.08 -0.10 1.68 -0.21 -0.33 -4.97 119.66 113.99 1yho s GLN 47 Ca 0.14 -1.34 -0.03 0.00 0.02 0.00 0.00 55.36 54.15 1yho s GLN 47 Cb 0.04 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 1yho s GLN 47 CO -0.02 0.41 0.02 -0.80 -2.12 0.00 0.00 175.29 172.78 1yho s ASN 48 N -3.07 5.35 -0.21 5.90 0.01 -1.26 -2.35 114.94 119.31 1yho s ASN 48 Ca 0.27 0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 52.52 1yho s ASN 48 Cb -0.08 -1.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.96 1yho s ASN 48 CO 0.16 0.35 0.00 -0.22 -1.51 0.00 0.00 177.10 175.89 1yho s LEU 49 N -0.70 3.23 -0.06 0.60 0.20 -0.95 -2.11 118.68 118.89 1yho s LEU 49 Ca 0.11 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.69 1yho s LEU 49 Cb -0.12 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 1yho s LEU 49 CO 0.02 0.04 0.00 0.54 -0.29 0.00 0.00 176.35 176.66 1yho s VAL 50 N 1.17 4.28 -0.08 1.68 0.11 0.48 0.01 120.40 128.06 1yho s VAL 50 Ca 0.03 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1yho s VAL 50 Cb -0.14 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 1yho s VAL 50 CO 0.01 0.54 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.52 1yho s ILE 51 N -0.95 2.78 0.10 7.04 1.01 0.49 -0.30 121.20 131.38 1yho s ILE 51 Ca 0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1yho s ILE 51 Cb -0.11 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1yho s ILE 51 CO 0.05 0.57 0.01 -0.04 0.00 0.00 0.00 174.94 175.53 1yho s MET 52 N -0.25 0.81 0.64 2.79 -1.94 0.10 -1.88 119.30 119.58 1yho s MET 52 Ca 0.01 -1.36 -0.03 0.00 -1.71 0.00 0.00 55.69 52.60 1yho s MET 52 Cb -0.13 0.18 0.06 0.00 2.01 0.00 0.00 34.83 36.94 1yho s MET 52 CO 0.03 -0.18 0.91 0.20 -0.01 0.00 0.00 175.02 175.97 1yho s GLY 53 N -3.01 1.76 0.33 -0.03 0.00 -1.12 -1.95 107.32 103.29 1yho s GLY 53 Ca 0.17 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.74 1yho s GLY 53 CO -0.03 -0.80 1.94 1.70 0.00 0.00 0.00 173.10 175.91 1yho h LYS 54 N -0.32 0.79 -0.13 2.90 3.64 -1.96 -0.67 116.57 120.83 1yho h LYS 54 Ca -0.43 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1yho h LYS 54 Cb 1.30 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1yho h LYS 54 CO 0.55 0.61 0.00 0.87 -2.27 0.00 0.00 179.45 179.21 1yho h LYS 55 N 0.79 0.22 -0.40 1.90 1.57 -1.95 -2.04 116.57 116.66 1yho h LYS 55 Ca 0.20 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1yho h LYS 55 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1yho h LYS 55 CO -0.03 0.46 0.16 1.15 -0.57 0.00 0.00 179.45 180.63 1yho h THR 56 N -0.05 1.19 -0.97 -0.16 2.02 -1.88 0.03 112.91 113.09 1yho h THR 56 Ca 0.04 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 66.68 1yho h THR 56 Cb 0.36 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 1yho h THR 56 CO 0.01 0.21 0.63 -0.25 0.37 0.00 0.00 175.52 176.49 1yho h TRP 57 N 0.49 1.17 0.00 3.16 2.91 -1.10 -0.42 115.95 122.15 1yho h TRP 57 Ca 0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1yho h TRP 57 Cb 0.18 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.45 1yho h TRP 57 CO -0.00 0.63 0.00 0.74 -1.03 0.00 0.00 178.44 178.78 1yho h PHE 58 N 1.16 0.00 0.00 2.65 -1.00 -1.07 -3.21 116.94 115.48 1yho h PHE 58 Ca 0.41 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 61.03 1yho h PHE 58 Cb 0.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1yho h PHE 58 CO -0.00 0.00 -0.87 0.77 -1.61 0.00 0.00 178.31 176.60 1yho h SER 59 N 0.00 0.00 -3.55 2.17 0.02 0.54 -3.46 113.55 109.27 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 0.94 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.51 1yho h SER 59 CO 0.00 0.70 0.60 -0.63 -1.14 0.00 0.00 176.83 176.36 1yho s ILE 60 N -2.85 3.27 0.64 3.27 1.01 -0.37 -5.01 121.20 121.16 1yho s ILE 60 Ca 0.02 1.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.63 1yho s ILE 60 Cb 0.08 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 1yho s ILE 60 CO 0.78 0.20 1.08 -2.16 0.00 0.00 0.00 174.94 174.85 1yho s PRO 61 N -0.61 2.98 0.32 2.79 0.04 -1.26 -4.91 135.00 134.34 1yho s PRO 61 Ca 0.53 1.25 0.16 0.00 0.04 0.00 0.00 61.00 62.98 1yho s PRO 61 Cb -0.35 -1.98 0.40 0.00 0.04 0.00 0.00 34.50 32.60 1yho s PRO 61 CO 0.41 -1.09 1.60 1.49 0.04 0.00 0.00 177.00 179.44 1yho h GLU 62 N 0.03 0.00 -0.74 4.56 4.57 -1.95 -1.48 114.58 119.56 1yho h GLU 62 Ca -0.46 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 57.85 1yho h GLU 62 Cb 1.23 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 1yho h GLU 62 CO 0.55 0.49 0.49 0.87 -1.18 0.00 0.00 179.01 180.24 1yho h LYS 63 N 0.00 0.45 0.00 1.92 1.79 -2.01 -2.67 116.57 116.06 1yho h LYS 63 Ca -0.00 -0.03 -0.30 0.00 -2.18 0.00 0.00 60.65 58.14 1yho h LYS 63 Cb 1.14 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.63 1yho h LYS 63 CO 0.06 0.30 -2.15 0.09 -1.08 0.00 0.00 179.45 176.67 1yho n ASN 64 N -4.49 0.85 -4.75 0.86 3.02 -1.20 -4.96 115.26 104.59 1yho n ASN 64 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 1yho n ASN 64 Cb 0.48 0.93 -0.05 0.00 -0.61 0.00 0.00 39.78 40.52 1yho n ASN 64 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1yho s ARG 65 N -2.42 4.75 0.32 3.52 3.52 -0.56 -3.10 118.95 124.97 1yho s ARG 65 Ca -0.08 1.41 -0.28 0.00 -0.13 0.00 0.00 55.73 56.64 1yho s ARG 65 Cb 0.05 -3.31 -0.09 0.00 -1.56 0.00 0.00 34.95 30.04 1yho s ARG 65 CO 0.69 0.42 1.11 -2.14 -0.81 0.00 0.00 175.30 174.58 1yho s PRO 66 N -0.77 4.48 -0.79 5.12 0.02 -1.26 -4.67 135.00 137.13 1yho s PRO 66 Ca 0.42 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 62.97 1yho s PRO 66 Cb -0.24 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1yho s PRO 66 CO 0.30 0.07 1.93 -1.17 -0.33 0.00 0.00 177.00 177.80 1yho s LEU 67 N -1.78 3.21 0.88 -5.54 1.98 -1.18 -4.96 118.68 111.29 1yho s LEU 67 Ca 0.48 -0.26 -0.11 0.00 -2.89 0.00 0.00 54.13 51.35 1yho s LEU 67 Cb -0.31 -2.55 0.12 0.00 0.66 0.00 0.00 46.19 44.12 1yho s LEU 67 CO 0.39 -2.63 1.11 -0.54 -1.89 0.00 0.00 176.35 172.80 1yho s LYS 68 N 7.07 1.33 0.00 1.98 -0.14 -1.26 -3.58 119.74 125.14 1yho s LYS 68 Ca 0.70 1.30 0.00 0.00 -1.36 0.00 0.00 55.97 56.61 1yho s LYS 68 Cb -0.09 -1.78 0.00 0.00 -1.68 0.00 0.00 37.83 34.28 1yho s LYS 68 CO 0.08 -2.33 0.00 0.41 -0.76 0.00 0.00 175.35 172.74 1yho n GLY 69 N -0.36 3.03 3.06 -3.33 0.00 -1.26 -5.00 105.19 101.33 1yho n GLY 69 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.21 0.45 -0.23 1.61 3.00 -1.23 -4.75 118.95 117.58 1yho s ARG 70 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 55.73 54.82 1yho s ARG 70 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 34.95 35.13 1yho s ARG 70 CO 0.00 -0.10 1.07 0.42 0.00 0.00 0.00 175.30 176.69 1yho s ILE 71 N -1.86 4.63 -0.25 1.52 1.01 -0.90 -4.84 121.20 120.51 1yho s ILE 71 Ca -0.12 1.96 -0.19 0.00 0.00 0.00 0.00 60.65 62.31 1yho s ILE 71 Cb -0.06 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1yho s ILE 71 CO -0.02 -0.19 0.54 0.20 0.00 0.00 0.00 174.94 175.47 1yho s ASN 72 N 1.31 6.49 -0.13 3.58 -0.87 -1.26 -0.39 114.94 123.67 1yho s ASN 72 Ca 0.45 0.59 0.03 0.00 -1.57 0.00 0.00 52.86 52.36 1yho s ASN 72 Cb -0.16 -2.29 0.01 0.00 -0.02 0.00 0.00 41.25 38.79 1yho s ASN 72 CO 0.07 -0.29 -0.21 -0.22 -2.57 0.00 0.00 177.10 173.89 1yho s LEU 73 N 2.23 2.02 -0.08 0.60 0.20 0.59 -1.58 118.68 122.66 1yho s LEU 73 Ca 0.23 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 1yho s LEU 73 Cb -0.16 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.21 1yho s LEU 73 CO 0.09 0.08 0.01 -0.69 -0.29 0.00 0.00 176.35 175.55 1yho s VAL 74 N 0.79 4.38 -0.51 1.68 1.01 -0.51 0.02 120.40 127.26 1yho s VAL 74 Ca -0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1yho s VAL 74 Cb -0.16 -2.86 0.12 0.00 0.00 0.00 0.00 36.38 33.48 1yho s VAL 74 CO -0.00 0.58 0.44 -0.76 0.00 0.00 0.00 175.10 175.35 1yho s LEU 75 N -0.98 5.96 -0.07 3.92 1.43 -0.82 -1.50 118.68 126.61 1yho s LEU 75 Ca 0.14 -1.75 0.02 0.00 -1.03 0.00 0.00 54.13 51.51 1yho s LEU 75 Cb -0.11 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1yho s LEU 75 CO 0.04 -0.78 -0.13 -0.55 0.23 0.00 0.00 176.35 175.16 1yho s SER 76 N 3.19 1.86 -0.11 2.29 0.15 -0.18 -4.29 113.70 116.61 1yho s SER 76 Ca 0.04 -0.31 0.12 0.00 0.70 0.00 0.00 55.95 56.50 1yho s SER 76 Cb -0.28 -0.86 -0.24 0.00 -1.71 0.00 0.00 66.02 62.93 1yho s SER 76 CO 0.02 0.04 0.39 0.54 1.20 0.00 0.00 173.24 175.43 1yho n ARG 77 N 3.83 0.66 0.07 5.44 1.74 -1.26 -3.77 116.66 123.38 1yho n ARG 77 Ca -0.22 0.18 -0.17 0.00 -0.77 0.00 0.00 57.85 56.87 1yho n ARG 77 Cb 0.52 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.01 0.48 -6.88 5.56 4.81 -1.95 -3.45 114.58 113.16 1yho h GLU 78 Ca -0.40 -0.58 -0.49 0.00 -0.13 0.00 0.00 59.36 57.76 1yho h GLU 78 Cb 2.09 0.18 0.01 0.00 0.63 0.00 0.00 28.75 31.66 1yho h GLU 78 CO 0.05 1.21 0.42 -0.51 -0.73 0.00 0.00 179.01 179.46 1yho s LEU 79 N -7.74 4.35 -0.21 1.64 1.43 -1.26 -4.97 118.68 111.91 1yho s LEU 79 Ca -0.07 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1yho s LEU 79 Cb 0.08 -3.92 -0.20 0.00 0.03 0.00 0.00 46.19 42.17 1yho s LEU 79 CO 0.89 -0.26 -0.02 0.29 0.23 0.00 0.00 176.35 177.49 1yho n LYS 80 N 0.58 0.68 -4.52 1.70 5.02 -1.26 -4.90 118.16 115.46 1yho n LYS 80 Ca 0.02 0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 1yho n LYS 80 Cb 0.48 -1.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.79 1yho n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1yho s GLU 81 N -2.53 1.92 0.19 1.97 2.02 -1.26 -5.08 118.70 115.94 1yho s GLU 81 Ca -0.27 -1.08 -0.33 0.00 0.02 0.00 0.00 54.97 53.31 1yho s GLU 81 Cb 0.08 -2.14 -0.14 0.00 0.10 0.00 0.00 34.13 32.03 1yho s GLU 81 CO 0.68 0.51 1.42 -2.30 0.02 0.00 0.00 175.26 175.59 1yho n PRO 82 N 1.24 1.87 -1.19 0.39 -0.02 -1.26 -4.92 135.00 131.10 1yho n PRO 82 Ca -0.16 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 1yho n PRO 82 Cb 0.52 -2.34 0.09 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.46 0.26 -1.68 0.52 -0.02 -1.26 -4.84 135.00 130.43 1yho n PRO 83 Ca 0.14 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 1yho n PRO 83 Cb 0.29 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.75 2.77 0.00 -0.52 -0.06 -1.26 -1.39 117.38 115.18 1yho n GLN 84 Ca 0.11 1.01 0.00 0.00 -2.00 0.00 0.00 57.00 56.12 1yho n GLN 84 Cb 0.50 -2.92 0.00 0.00 -4.06 0.00 0.00 30.24 23.76 1yho n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1yho n GLY 85 N 4.34 3.16 3.80 1.69 0.00 -1.26 -5.06 105.19 111.86 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 -2.87 2.76 -0.12 4.61 0.00 -0.48 -4.66 121.76 120.99 1yho s ALA 86 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 1yho s ALA 86 Cb 0.00 -3.23 -0.26 0.00 0.00 0.00 0.00 23.12 19.63 1yho s ALA 86 CO 0.00 -0.76 0.39 0.45 0.00 0.00 0.00 175.76 175.84 1yho h HIS 87 N 0.53 0.49 -3.55 0.00 3.86 -1.60 -3.46 115.15 111.41 1yho h HIS 87 Ca -0.47 -0.35 -0.07 0.00 -1.16 0.00 0.00 60.37 58.31 1yho h HIS 87 Cb 1.22 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 29.53 1yho h HIS 87 CO 0.58 1.76 -0.22 -0.06 0.86 0.00 0.00 177.93 180.86 1yho s PHE 88 N -2.55 -0.04 -0.02 2.45 0.08 -0.84 -5.00 117.98 112.06 1yho s PHE 88 Ca -0.22 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 56.50 1yho s PHE 88 Cb 0.06 0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.62 1yho s PHE 88 CO 0.77 -0.61 0.07 -1.17 -0.10 0.00 0.00 175.22 174.18 1yho s LEU 89 N -2.72 1.75 0.02 -0.37 2.96 -1.26 -1.42 118.68 117.64 1yho s LEU 89 Ca 0.03 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1yho s LEU 89 Cb 0.03 0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.99 1yho s LEU 89 CO -0.10 -0.09 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.27 1yho s SER 90 N -0.27 1.45 0.11 3.68 0.01 -0.57 -4.91 113.70 113.20 1yho s SER 90 Ca -0.03 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1yho s SER 90 Cb -0.02 -0.11 -0.20 0.00 0.21 0.00 0.00 66.02 65.90 1yho s SER 90 CO 0.00 0.05 1.24 0.03 0.41 0.00 0.00 173.24 174.98 1yho h ARG 91 N 5.26 0.14 -4.15 12.44 3.08 -1.89 -0.45 114.38 128.81 1yho h ARG 91 Ca -0.35 -0.22 -0.15 0.00 0.07 0.00 0.00 59.98 59.32 1yho h ARG 91 Cb 1.18 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.18 1yho h ARG 91 CO 0.46 1.08 -0.39 -1.54 -1.07 0.00 0.00 179.97 178.50 1yho s SER 92 N -6.92 0.05 0.23 7.04 1.04 -1.26 -4.14 113.70 109.73 1yho s SER 92 Ca -0.02 -1.16 -0.08 0.00 0.48 0.00 0.00 55.95 55.18 1yho s SER 92 Cb 0.09 0.47 0.21 0.00 0.10 0.00 0.00 66.02 66.88 1yho s SER 92 CO 0.85 -0.97 1.87 0.25 0.98 0.00 0.00 173.24 176.22 1yho h LEU 93 N 2.47 1.07 -0.69 2.42 5.85 -1.99 -2.18 115.31 122.26 1yho h LEU 93 Ca -0.31 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1yho h LEU 93 Cb 1.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1yho h LEU 93 CO 0.45 0.83 0.46 0.44 -0.34 0.00 0.00 178.44 180.28 1yho h ASP 94 N 1.22 0.79 -0.17 1.25 5.19 -1.97 0.32 116.42 123.04 1yho h ASP 94 Ca 0.32 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1yho h ASP 94 Cb -0.04 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.26 1yho h ASP 94 CO -0.06 0.57 0.09 -0.78 -3.12 0.00 0.00 179.24 175.93 1yho h ASP 95 N 0.93 0.22 -0.10 6.45 3.58 -1.87 0.25 116.42 125.89 1yho h ASP 95 Ca 0.25 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 1yho h ASP 95 Cb -0.10 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1yho h ASP 95 CO -0.06 0.27 -0.26 0.00 -2.88 0.00 0.00 179.24 176.31 1yho h ALA 96 N 0.96 1.02 -0.25 -0.78 0.00 -1.14 -1.97 119.26 117.10 1yho h ALA 96 Ca 0.06 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1yho h ALA 96 Cb 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yho h ALA 96 CO -0.01 0.59 -0.37 -0.07 0.00 0.00 0.00 179.25 179.38 1yho h LEU 97 N 0.48 0.76 -1.04 0.00 3.38 -0.13 -2.38 115.31 116.40 1yho h LEU 97 Ca 0.07 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1yho h LEU 97 Cb 0.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1yho h LEU 97 CO 0.05 1.13 -0.04 0.50 0.09 0.00 0.00 178.44 180.18 1yho h LYS 98 N 0.42 0.65 -0.12 1.13 3.64 -0.40 -0.84 116.57 121.04 1yho h LYS 98 Ca 0.02 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1yho h LYS 98 Cb 0.97 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1yho h LYS 98 CO 0.09 0.69 -0.03 1.25 -2.27 0.00 0.00 179.45 179.18 1yho h LEU 99 N 0.60 0.23 -1.53 5.20 5.85 -1.31 -0.39 115.31 123.97 1yho h LEU 99 Ca 0.12 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1yho h LEU 99 Cb 0.44 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1yho h LEU 99 CO 0.02 0.55 -0.13 0.71 -0.34 0.00 0.00 178.44 179.25 1yho h THR 100 N -0.09 0.39 0.00 1.05 1.35 -1.30 -2.60 112.91 111.71 1yho h THR 100 Ca 0.03 -0.75 -0.08 0.00 -0.55 0.00 0.00 66.41 65.06 1yho h THR 100 Cb 0.45 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1yho h THR 100 CO 0.01 0.13 -0.89 -0.08 -0.25 0.00 0.00 175.52 174.44 1yho h GLU 101 N 0.00 0.00 -6.88 4.72 4.81 -0.96 -3.34 114.58 112.93 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 0.53 0.00 0.07 0.00 0.63 0.00 0.00 28.75 29.99 1yho h GLU 101 CO 0.02 0.21 0.69 -0.65 -0.73 0.00 0.00 179.01 178.54 1yho s GLN 102 N -3.11 4.28 0.50 1.92 -0.21 -0.17 -4.71 119.66 118.16 1yho s GLN 102 Ca 0.01 2.32 0.23 0.00 0.02 0.00 0.00 55.36 57.93 1yho s GLN 102 Cb 0.08 -3.05 1.29 0.00 1.00 0.00 0.00 33.01 32.33 1yho s GLN 102 CO 0.77 -0.31 1.97 -1.35 -2.12 0.00 0.00 175.29 174.25 1yho h PRO 103 N 3.51 0.13 -0.89 2.91 0.11 -1.90 0.73 132.00 136.59 1yho h PRO 103 Ca -0.49 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1yho h PRO 103 Cb 1.23 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1yho h PRO 103 CO 0.67 0.09 0.58 0.93 -0.21 0.00 0.00 178.00 180.06 1yho h GLU 104 N 0.13 1.02 0.00 1.05 3.07 -1.90 -2.73 114.58 115.22 1yho h GLU 104 Ca 0.30 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.86 1yho h GLU 104 Cb 0.99 -0.23 -0.05 0.00 -0.84 0.00 0.00 28.75 28.63 1yho h GLU 104 CO -0.04 0.67 -2.17 1.28 -1.40 0.00 0.00 179.01 177.36 1yho n LEU 105 N -4.47 0.00 0.11 1.33 4.32 -0.37 -4.36 117.00 113.56 1yho n LEU 105 Ca 0.13 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.29 1yho n LEU 105 Cb 0.17 0.33 0.71 0.00 -1.62 0.00 0.00 43.42 43.01 1yho n LEU 105 CO 0.33 0.33 1.15 0.00 -1.22 0.00 0.00 177.39 177.98 1yho h ALA 106 N 1.17 2.22 -0.01 -1.18 0.00 0.57 0.70 119.26 122.73 1yho h ALA 106 Ca -0.36 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 1yho h ALA 106 Cb 1.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1yho h ALA 106 CO 0.02 -0.43 -0.75 -0.91 0.00 0.00 0.00 179.25 177.18 1yho h ASN 107 N 0.00 0.09 0.14 0.00 2.35 -1.69 -3.31 115.58 113.16 1yho h ASN 107 Ca 0.16 -0.06 -0.36 0.00 -0.55 0.00 0.00 56.30 55.48 1yho h ASN 107 Cb 0.68 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1yho h ASN 107 CO -0.00 0.81 -1.98 0.50 -1.65 0.00 0.00 177.43 175.11 1yho h LYS 108 N 0.05 0.27 -6.28 0.81 3.64 -1.14 -3.46 116.57 110.46 1yho h LYS 108 Ca -0.02 -0.46 -0.66 0.00 -1.27 0.00 0.00 60.65 58.24 1yho h LYS 108 Cb 1.32 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 33.19 1yho h LYS 108 CO 0.10 1.21 -0.66 0.08 -2.27 0.00 0.00 179.45 177.92 1yho s VAL 109 N -2.56 4.01 -0.01 2.00 1.01 0.22 -1.19 120.40 123.89 1yho s VAL 109 Ca -0.22 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1yho s VAL 109 Cb 0.07 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1yho s VAL 109 CO 0.78 0.23 -0.01 -0.67 0.00 0.00 0.00 175.10 175.43 1yho n ASP 110 N 0.95 2.15 -4.22 3.32 2.03 -0.99 -4.33 116.55 115.45 1yho n ASP 110 Ca -0.13 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.02 1yho n ASP 110 Cb 0.52 -0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.01 0.97 -0.05 -0.67 -1.94 -1.26 -3.04 119.30 111.30 1yho s MET 111 Ca -0.01 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 52.77 1yho s MET 111 Cb 0.00 -0.77 -0.03 0.00 2.01 0.00 0.00 34.83 36.04 1yho s MET 111 CO 0.01 0.14 -0.10 0.08 -0.01 0.00 0.00 175.02 175.14 1yho s VAL 112 N -2.30 3.43 -0.15 -6.03 1.01 -0.61 -2.23 120.40 113.52 1yho s VAL 112 Ca 0.08 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1yho s VAL 112 Cb -0.04 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1yho s VAL 112 CO 0.02 0.57 -0.18 0.26 0.00 0.00 0.00 175.10 175.77 1yho s TRP 113 N -0.81 2.74 -0.25 5.22 0.52 0.10 -0.70 118.94 125.76 1yho s TRP 113 Ca 0.13 -1.15 -0.14 0.00 0.02 0.00 0.00 56.10 54.96 1yho s TRP 113 Cb -0.11 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1yho s TRP 113 CO 0.02 -0.52 0.33 0.42 0.02 0.00 0.00 176.95 177.21 1yho s ILE 114 N 0.81 5.22 -0.29 2.03 1.09 -0.06 -0.38 121.20 129.62 1yho s ILE 114 Ca -0.06 0.50 0.08 0.00 -1.10 0.00 0.00 60.65 60.07 1yho s ILE 114 Cb -0.15 -3.66 0.46 0.00 -1.06 0.00 0.00 42.46 38.05 1yho s ILE 114 CO -0.01 0.21 1.18 0.52 -0.10 0.00 0.00 174.94 176.74 1yho n VAL 115 N 4.85 2.43 0.00 2.92 0.31 -0.79 -2.04 118.33 126.01 1yho n VAL 115 Ca -0.10 -4.15 0.00 0.00 -0.01 0.00 0.00 64.34 60.08 1yho n VAL 115 Cb 0.51 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 -0.69 0.22 0.00 2.92 0.00 -1.26 -4.77 105.19 101.61 1yho n GLY 116 Ca 0.41 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 0.41 0.69 0.29 -0.02 0.00 -1.26 -2.80 105.19 102.50 1yho n GLY 117 Ca 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 1yho n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1yho h SER 118 N 0.00 0.75 -0.43 1.61 0.87 -1.99 -2.19 113.55 112.16 1yho h SER 118 Ca 0.00 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1yho h SER 118 Cb 0.00 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1yho h SER 118 CO 0.00 0.78 0.24 -1.28 -0.53 0.00 0.00 176.83 176.04 1yho h SER 119 N 0.75 0.36 0.00 6.23 0.87 -2.00 -1.25 113.55 118.51 1yho h SER 119 Ca 0.16 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1yho h SER 119 Cb 0.38 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1yho h SER 119 CO 0.01 0.26 -0.27 0.58 -0.53 0.00 0.00 176.83 176.87 1yho h VAL 120 N 0.47 1.27 -0.61 2.23 2.07 -1.82 -2.47 116.25 117.39 1yho h VAL 120 Ca 0.18 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1yho h VAL 120 Cb 0.06 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1yho h VAL 120 CO -0.11 0.40 0.25 0.22 0.02 0.00 0.00 177.57 178.35 1yho h TYR 121 N 0.37 0.94 -0.36 1.57 3.20 -0.73 -1.56 116.97 120.40 1yho h TYR 121 Ca 0.05 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1yho h TYR 121 Cb 0.68 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1yho h TYR 121 CO 0.02 0.74 -0.04 -0.22 -1.64 0.00 0.00 178.16 177.03 1yho h LYS 122 N 0.86 0.65 -0.22 1.82 3.64 -1.08 0.18 116.57 122.41 1yho h LYS 122 Ca 0.20 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1yho h LYS 122 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1yho h LYS 122 CO -0.02 0.79 0.12 0.93 -2.27 0.00 0.00 179.45 179.00 1yho h GLU 123 N 0.46 0.24 0.00 1.90 4.39 -1.28 -2.45 114.58 117.84 1yho h GLU 123 Ca 0.10 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1yho h GLU 123 Cb 0.52 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1yho h GLU 123 CO 0.03 0.16 -0.57 0.00 -1.16 0.00 0.00 179.01 177.47 1yho h ALA 124 N 1.11 0.95 0.00 3.43 0.00 -1.25 -2.96 119.26 120.53 1yho h ALA 124 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1yho h ALA 124 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1yho h ALA 124 CO -0.05 0.71 0.00 0.52 0.00 0.00 0.00 179.25 180.43 1yho h MET 125 N 0.00 0.00 -0.74 0.00 2.86 -0.15 -0.46 114.93 116.44 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 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 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 -3.01 4.18 -4.74 1.22 5.03 -1.12 -4.94 115.26 111.88 1yho n ASN 126 Ca -0.03 -2.68 -0.41 0.00 0.87 0.00 0.00 54.58 52.34 1yho n ASN 126 Cb 0.08 -0.64 -0.04 0.00 -1.02 0.00 0.00 39.78 38.16 1yho n ASN 126 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1yho s HIS 127 N -2.21 3.71 0.08 3.10 3.76 -0.18 -4.97 115.29 118.57 1yho s HIS 127 Ca 0.37 1.71 -0.10 0.00 -0.15 0.00 0.00 55.06 56.89 1yho s HIS 127 Cb 0.29 -3.18 -0.23 0.00 1.11 0.00 0.00 32.58 30.57 1yho s HIS 127 CO 0.11 -0.24 1.17 -1.00 -0.85 0.00 0.00 174.74 173.92 1yho h PRO 128 N 4.87 0.52 0.00 8.40 0.13 -1.92 -3.47 132.00 140.54 1yho h PRO 128 Ca -0.44 -0.67 -0.23 0.00 -0.87 0.00 0.00 66.00 63.79 1yho h PRO 128 Cb 1.21 0.22 0.11 0.00 0.13 0.00 0.00 31.00 32.67 1yho h PRO 128 CO 0.71 1.28 0.10 0.41 -0.23 0.00 0.00 178.00 180.27 1yho n GLY 129 N 1.27 -2.39 3.75 1.56 0.00 -1.26 -4.87 105.19 103.25 1yho n GLY 129 Ca -0.11 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1yho n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1yho s HIS 130 N -2.21 2.74 -0.03 1.61 2.46 -1.26 -4.96 115.29 113.63 1yho s HIS 130 Ca 0.40 0.85 -0.01 0.00 0.47 0.00 0.00 55.06 56.77 1yho s HIS 130 Cb -0.03 -4.05 0.03 0.00 -0.13 0.00 0.00 32.58 28.39 1yho s HIS 130 CO 0.30 -3.47 0.07 -1.17 -2.47 0.00 0.00 174.74 168.00 1yho s LEU 131 N -0.74 1.15 -0.14 8.88 2.96 -1.26 -4.34 118.68 125.19 1yho s LEU 131 Ca 0.62 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1yho s LEU 131 Cb -0.47 0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1yho s LEU 131 CO 0.50 -0.11 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.80 1yho s LYS 132 N 0.84 3.51 -0.14 1.98 1.02 -0.95 -1.51 119.74 124.48 1yho s LYS 132 Ca -0.07 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1yho s LYS 132 Cb -0.09 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1yho s LYS 132 CO -0.03 0.24 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.94 1yho s LEU 133 N 0.33 1.92 -0.34 3.17 1.43 0.10 0.69 118.68 125.99 1yho s LEU 133 Ca -0.08 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.39 1yho s LEU 133 Cb -0.15 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1yho s LEU 133 CO 0.04 0.01 0.15 -0.36 0.23 0.00 0.00 176.35 176.42 1yho s PHE 134 N 1.14 3.21 -0.11 0.29 0.40 0.26 0.79 117.98 123.96 1yho s PHE 134 Ca -0.01 -1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 55.29 1yho s PHE 134 Cb -0.14 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 1yho s PHE 134 CO -0.07 -0.62 0.00 0.08 0.70 0.00 0.00 175.22 175.32 1yho s VAL 135 N 1.52 4.31 -0.27 -0.44 1.01 0.47 -0.23 120.40 126.77 1yho s VAL 135 Ca 0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1yho s VAL 135 Cb -0.18 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1yho s VAL 135 CO 0.05 0.57 0.04 -0.89 0.00 0.00 0.00 175.10 174.87 1yho s THR 136 N -0.53 3.76 -0.34 3.92 2.01 -0.67 0.16 115.64 123.96 1yho s THR 136 Ca 0.09 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 1yho s THR 136 Cb -0.12 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1yho s THR 136 CO 0.02 0.17 0.76 -0.60 -0.69 0.00 0.00 174.62 174.28 1yho s ARG 137 N 1.48 3.82 -0.37 4.92 3.52 0.35 0.34 118.95 133.01 1yho s ARG 137 Ca 0.03 0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.89 1yho s ARG 137 Cb -0.16 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.47 1yho s ARG 137 CO 0.01 -0.77 0.21 0.42 -0.81 0.00 0.00 175.30 174.36 1yho s ILE 138 N 2.99 4.59 -1.14 4.11 -1.09 -0.11 -0.17 121.20 130.38 1yho s ILE 138 Ca 0.31 -0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.69 1yho s ILE 138 Cb -0.14 -3.56 0.09 0.00 -1.58 0.00 0.00 42.46 37.27 1yho s ILE 138 CO 0.15 -0.23 1.51 -0.04 -1.23 0.00 0.00 174.94 175.10 1yho s MET 139 N 1.56 3.81 -0.29 2.79 -1.94 -0.35 -0.07 119.30 124.81 1yho s MET 139 Ca 0.02 -1.75 -0.16 0.00 -1.71 0.00 0.00 55.69 52.10 1yho s MET 139 Cb -0.19 -5.32 0.14 0.00 2.01 0.00 0.00 34.83 31.47 1yho s MET 139 CO 0.07 -2.10 0.94 -1.14 -0.01 0.00 0.00 175.02 172.78 1yho s GLN 140 N 3.88 0.41 0.02 2.03 2.00 -1.26 -4.20 119.66 122.54 1yho s GLN 140 Ca 0.47 0.73 -0.30 0.00 -2.00 0.00 0.00 55.36 54.26 1yho s GLN 140 Cb 0.00 0.12 -0.07 0.00 0.80 0.00 0.00 33.01 33.86 1yho s GLN 140 CO -0.02 -0.09 1.66 0.34 -0.50 0.00 0.00 175.29 176.68 1yho s ASP 141 N 1.47 6.63 0.03 6.67 2.15 -1.26 -4.36 116.67 128.00 1yho s ASP 141 Ca -0.09 2.38 -0.11 0.00 0.43 0.00 0.00 52.55 55.17 1yho s ASP 141 Cb -0.04 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1yho s ASP 141 CO -0.16 -0.90 0.23 -0.36 -0.17 0.00 0.00 175.17 173.81 1yho s PHE 142 N 3.27 -0.01 -0.20 -5.34 0.08 -1.26 -5.07 117.98 109.45 1yho s PHE 142 Ca 0.74 -0.15 -0.22 0.00 0.12 0.00 0.00 56.93 57.42 1yho s PHE 142 Cb -0.37 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.07 1yho s PHE 142 CO 0.32 -0.43 0.67 -2.00 -0.10 0.00 0.00 175.22 173.67 1yho s GLU 143 N -2.34 4.22 0.05 0.44 2.12 -1.26 -4.96 118.70 116.97 1yho s GLU 143 Ca -0.07 0.69 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1yho s GLU 143 Cb -0.02 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1yho s GLU 143 CO -0.02 -0.28 -0.07 -1.12 -0.54 0.00 0.00 175.26 173.23 1yho s SER 144 N 1.22 0.86 -0.10 -1.70 0.01 -1.26 -4.67 113.70 108.06 1yho s SER 144 Ca 0.30 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.99 1yho s SER 144 Cb -0.16 0.05 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 1yho s SER 144 CO 0.10 -0.26 -0.01 0.47 0.41 0.00 0.00 173.24 173.96 1yho n ASP 145 N 1.19 2.79 -4.70 2.44 9.92 -1.26 -4.97 116.55 121.96 1yho n ASP 145 Ca -0.21 -0.02 -0.37 0.00 -0.53 0.00 0.00 54.79 53.66 1yho n ASP 145 Cb 0.56 0.48 -0.08 0.00 -0.64 0.00 0.00 41.12 41.44 1yho n ASP 145 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1yho s THR 146 N -2.23 5.29 0.00 -3.53 2.01 -1.25 -5.08 115.64 110.85 1yho s THR 146 Ca -0.08 0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1yho s THR 146 Cb 0.03 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1yho s THR 146 CO 0.36 0.34 0.19 -0.36 -0.69 0.00 0.00 174.62 174.46 1yho s PHE 147 N 0.83 3.55 -0.12 4.92 0.08 -1.26 -2.82 117.98 123.16 1yho s PHE 147 Ca 0.15 0.35 -0.17 0.00 0.12 0.00 0.00 56.93 57.38 1yho s PHE 147 Cb -0.13 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1yho s PHE 147 CO 0.05 0.64 0.45 0.12 -0.10 0.00 0.00 175.22 176.38 1yho s PHE 148 N -1.35 3.52 0.61 0.36 5.36 -0.78 -4.92 117.98 120.77 1yho s PHE 148 Ca 0.28 0.86 -0.18 0.00 -0.96 0.00 0.00 56.93 56.93 1yho s PHE 148 Cb -0.13 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 39.99 1yho s PHE 148 CO 0.20 0.20 0.86 -2.30 -1.46 0.00 0.00 175.22 172.72 1yho n PRO 149 N 3.57 0.77 -3.17 10.12 -0.02 -1.26 -4.95 135.00 140.06 1yho n PRO 149 Ca -0.08 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 1yho n PRO 149 Cb 0.52 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.66 4.17 0.10 -0.52 2.12 -1.26 -5.04 118.70 115.62 1yho s GLU 150 Ca 0.75 0.50 -0.31 0.00 0.36 0.00 0.00 54.97 56.28 1yho s GLU 150 Cb -0.42 -3.59 -0.07 0.00 0.26 0.00 0.00 34.13 30.31 1yho s GLU 150 CO 0.48 -0.25 1.27 0.42 -0.54 0.00 0.00 175.26 176.64 1yho s ILE 151 N 1.95 3.69 -0.20 -3.70 1.01 -1.26 -4.96 121.20 117.72 1yho s ILE 151 Ca 0.26 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.86 1yho s ILE 151 Cb -0.16 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1yho s ILE 151 CO 0.10 0.12 1.47 -1.81 0.00 0.00 0.00 174.94 174.82 1yho s ASP 152 N 0.90 6.61 0.45 3.58 1.01 -1.26 -4.88 116.67 123.07 1yho s ASP 152 Ca 0.60 1.63 0.19 0.00 0.71 0.00 0.00 52.55 55.68 1yho s ASP 152 Cb -0.33 -2.54 1.05 0.00 1.01 0.00 0.00 42.92 42.12 1yho s ASP 152 CO 0.31 -1.06 1.94 -0.07 0.21 0.00 0.00 175.17 176.50 1yho h LEU 153 N 10.87 0.00 -1.35 1.23 3.38 -1.94 0.83 115.31 128.33 1yho h LEU 153 Ca -0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1yho h LEU 153 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1yho h LEU 153 CO 1.00 0.23 -0.25 -0.08 0.09 0.00 0.00 178.44 179.43 1yho h GLU 154 N 0.00 0.11 0.00 1.13 4.81 -2.02 -3.20 114.58 115.40 1yho h GLU 154 Ca -0.00 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.89 1yho h GLU 154 Cb 0.49 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1yho h GLU 154 CO 0.03 0.36 -2.13 1.63 -0.73 0.00 0.00 179.01 178.17 1yho n LYS 155 N -4.20 1.21 -4.19 1.92 5.02 -0.91 -4.98 118.16 112.03 1yho n LYS 155 Ca -0.02 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1yho n LYS 155 Cb 0.33 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1yho n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1yho s TYR 156 N -2.40 3.19 -0.20 2.13 1.51 0.28 -2.19 117.35 119.67 1yho s TYR 156 Ca -0.11 0.16 -0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1yho s TYR 156 Cb 0.05 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1yho s TYR 156 CO 0.64 0.51 0.08 0.15 -1.11 0.00 0.00 175.55 175.82 1yho s LYS 157 N -1.58 3.97 -0.38 -0.62 1.02 0.18 -4.21 119.74 118.11 1yho s LYS 157 Ca 0.21 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 1yho s LYS 157 Cb -0.12 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1yho s LYS 157 CO 0.11 0.21 1.42 -1.17 -0.92 0.00 0.00 175.35 175.00 1yho s LEU 158 N 0.56 3.65 -0.73 3.17 0.20 -1.26 -1.76 118.68 122.51 1yho s LEU 158 Ca 0.04 0.95 -0.09 0.00 0.69 0.00 0.00 54.13 55.72 1yho s LEU 158 Cb -0.13 -3.54 0.19 0.00 -0.43 0.00 0.00 46.19 42.29 1yho s LEU 158 CO 0.01 -1.38 0.61 -0.76 -0.29 0.00 0.00 176.35 174.54 1yho s LEU 159 N 5.31 6.06 0.11 -0.68 2.01 0.23 -4.91 118.68 126.81 1yho s LEU 159 Ca 0.62 -2.74 -0.13 0.00 0.01 0.00 0.00 54.13 51.88 1yho s LEU 159 Cb -0.15 -2.05 -0.11 0.00 0.01 0.00 0.00 46.19 43.89 1yho s LEU 159 CO 0.31 -0.49 1.38 1.55 1.01 0.00 0.00 176.35 180.11 1yho h PRO 160 N 7.47 0.81 -4.65 1.29 0.13 -1.94 -1.54 132.00 133.57 1yho h PRO 160 Ca 0.04 -0.53 -0.69 0.00 -0.87 0.00 0.00 66.00 63.95 1yho h PRO 160 Cb 1.00 0.07 -0.33 0.00 0.13 0.00 0.00 31.00 31.87 1yho h PRO 160 CO 0.74 1.16 -0.63 -1.83 -0.23 0.00 0.00 178.00 177.21 1yho s GLU 161 N -4.07 2.31 0.06 0.86 -1.05 -1.26 -4.72 118.70 110.83 1yho s GLU 161 Ca -0.11 -1.45 0.08 0.00 -0.15 0.00 0.00 54.97 53.34 1yho s GLU 161 Cb 0.09 -3.38 -0.03 0.00 -0.44 0.00 0.00 34.13 30.37 1yho s GLU 161 CO 0.88 -0.79 -0.20 -0.47 0.95 0.00 0.00 175.26 175.62 1yho s TYR 162 N 1.24 2.49 -0.02 4.83 6.14 -1.26 -5.10 117.35 125.68 1yho s TYR 162 Ca 0.00 -0.30 -0.30 0.00 0.64 0.00 0.00 57.07 57.12 1yho s TYR 162 Cb -0.21 -1.41 -0.06 0.00 0.42 0.00 0.00 41.96 40.70 1yho s TYR 162 CO -0.01 0.26 1.59 -2.14 0.64 0.00 0.00 175.55 175.89 1yho s PRO 163 N -1.60 4.21 0.00 4.97 0.02 -1.26 -3.05 135.00 138.29 1yho s PRO 163 Ca 0.15 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1yho s PRO 163 Cb -0.10 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1yho s PRO 163 CO 0.06 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 1yho n GLY 164 N 3.98 3.10 3.73 0.52 0.00 -1.26 -5.04 105.19 110.22 1yho n GLY 164 Ca 0.16 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.79 3.94 0.17 1.61 0.11 -1.17 -4.98 120.40 119.28 1yho s VAL 165 Ca 0.00 1.64 -0.31 0.00 -2.93 0.00 0.00 61.98 60.37 1yho s VAL 165 Cb 0.00 -4.04 -0.10 0.00 -1.53 0.00 0.00 36.38 30.71 1yho s VAL 165 CO 0.00 0.26 1.54 -0.22 -3.33 0.00 0.00 175.10 173.36 1yho s LEU 166 N -0.20 4.37 -0.07 2.54 0.20 -1.26 -4.71 118.68 119.55 1yho s LEU 166 Ca 0.50 2.61 0.11 0.00 0.69 0.00 0.00 54.13 58.03 1yho s LEU 166 Cb -0.29 -3.60 -0.24 0.00 -0.43 0.00 0.00 46.19 41.64 1yho s LEU 166 CO 0.34 -0.80 0.55 -0.24 -0.29 0.00 0.00 176.35 175.91 1yho n SER 167 N 3.77 0.94 -4.76 3.68 2.88 -1.26 -4.59 113.62 114.28 1yho n SER 167 Ca 0.13 0.34 -0.41 0.00 -1.33 0.00 0.00 58.87 57.60 1yho n SER 167 Cb 0.39 -0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 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 -6.14 6.64 0.09 -3.46 1.01 -1.26 -4.83 116.67 108.71 1yho s ASP 168 Ca -0.08 2.73 -0.31 0.00 0.71 0.00 0.00 52.55 55.61 1yho s ASP 168 Cb 0.08 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1yho s ASP 168 CO 0.82 -0.69 1.60 -0.69 0.21 0.00 0.00 175.17 176.42 1yho s VAL 169 N -0.45 3.02 0.63 -1.27 1.01 -1.26 -4.87 120.40 117.22 1yho s VAL 169 Ca 0.56 0.55 -0.09 0.00 0.00 0.00 0.00 61.98 63.00 1yho s VAL 169 Cb -0.42 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1yho s VAL 169 CO 0.48 0.01 1.00 -1.10 0.00 0.00 0.00 175.10 175.50 1yho s GLN 170 N 2.20 3.13 -0.12 2.72 1.11 -0.50 -4.88 119.66 123.31 1yho s GLN 170 Ca 0.72 0.40 -0.05 0.00 0.01 0.00 0.00 55.36 56.43 1yho s GLN 170 Cb -0.40 -2.13 0.06 0.00 -1.01 0.00 0.00 33.01 29.53 1yho s GLN 170 CO 0.31 -0.76 0.27 -2.00 0.01 0.00 0.00 175.29 173.13 1yho s GLU 171 N -5.17 0.19 -0.04 2.91 2.12 -1.26 -2.03 118.70 115.42 1yho s GLU 171 Ca 0.55 0.67 -0.02 0.00 0.36 0.00 0.00 54.97 56.54 1yho s GLU 171 Cb -0.11 -0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.26 1yho s GLU 171 CO 0.50 -0.23 0.08 -1.21 -0.54 0.00 0.00 175.26 173.86 1yho s GLU 172 N 1.89 -0.02 -1.59 4.30 0.41 -0.59 -4.83 118.70 118.27 1yho s GLU 172 Ca -0.04 0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 1yho s GLU 172 Cb -0.11 -0.33 0.00 0.00 -1.78 0.00 0.00 34.13 31.91 1yho s GLU 172 CO -0.09 -0.24 0.00 1.63 -0.49 0.00 0.00 175.26 176.07 1yho n LYS 173 N 4.74 -1.83 -0.94 1.61 4.01 -1.26 -0.73 118.16 123.77 1yho n LYS 173 Ca -0.16 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1yho n LYS 173 Cb 0.50 -5.54 0.00 0.00 -0.51 0.00 0.00 35.03 29.48 1yho n LYS 173 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yho n GLY 174 N -0.94 0.43 3.23 0.72 0.00 -1.26 -5.03 105.19 102.34 1yho n GLY 174 Ca -0.22 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 3.15 -0.01 -0.61 1.01 0.09 -5.10 121.20 117.73 1yho s ILE 175 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1yho s ILE 175 Cb 0.00 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 1yho s ILE 175 CO 0.00 0.14 0.41 -0.54 0.00 0.00 0.00 174.94 174.95 1yho s LYS 176 N 1.36 3.95 0.06 2.79 3.01 -1.26 -1.54 119.74 128.11 1yho s LYS 176 Ca 0.00 0.41 -0.18 0.00 -1.01 0.00 0.00 55.97 55.19 1yho s LYS 176 Cb -0.17 -3.24 0.04 0.00 -1.01 0.00 0.00 37.83 33.45 1yho s LYS 176 CO -0.02 0.65 0.43 1.52 0.51 0.00 0.00 175.35 178.43 1yho s TYR 177 N -0.95 -0.28 0.11 3.18 1.13 -0.86 -1.21 117.35 118.46 1yho s TYR 177 Ca 0.24 0.22 0.09 0.00 -1.41 0.00 0.00 57.07 56.21 1yho s TYR 177 Cb -0.17 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1yho s TYR 177 CO 0.13 -0.60 -0.22 0.21 -2.51 0.00 0.00 175.55 172.56 1yho s LYS 178 N -2.65 1.20 -0.16 -3.49 2.36 0.76 -1.41 119.74 116.35 1yho s LYS 178 Ca -0.04 -1.22 -0.15 0.00 -2.55 0.00 0.00 55.97 52.00 1yho s LYS 178 Cb -0.00 -1.52 -0.04 0.00 -1.05 0.00 0.00 37.83 35.21 1yho s LYS 178 CO -0.04 0.35 0.35 -0.06 1.55 0.00 0.00 175.35 177.51 1yho s PHE 179 N -1.18 3.44 -0.06 4.03 0.40 -1.26 -0.50 117.98 122.85 1yho s PHE 179 Ca 0.09 0.64 0.06 0.00 -0.60 0.00 0.00 56.93 57.12 1yho s PHE 179 Cb -0.10 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 1yho s PHE 179 CO 0.05 0.16 -0.24 -2.00 0.70 0.00 0.00 175.22 173.89 1yho s GLU 180 N 0.72 2.59 -0.11 0.44 2.12 0.12 -4.94 118.70 119.64 1yho s GLU 180 Ca 0.19 -0.88 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 1yho s GLU 180 Cb -0.14 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 1yho s GLU 180 CO 0.06 0.39 -0.05 0.08 -0.54 0.00 0.00 175.26 175.20 1yho s VAL 181 N -0.18 3.82 -0.07 3.70 1.01 -0.58 -0.39 120.40 127.72 1yho s VAL 181 Ca -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1yho s VAL 181 Cb -0.14 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1yho s VAL 181 CO 0.04 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.20 1yho s TYR 182 N -0.24 1.86 0.05 5.22 2.02 0.24 0.76 117.35 127.26 1yho s TYR 182 Ca 0.04 -0.67 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 1yho s TYR 182 Cb -0.13 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1yho s TYR 182 CO 0.02 -0.28 -0.21 -2.00 -1.57 0.00 0.00 175.55 171.51 1yho s GLU 183 N 0.37 1.93 -0.18 -0.62 2.12 -0.72 0.03 118.70 121.62 1yho s GLU 183 Ca -0.12 -1.05 -0.09 0.00 0.36 0.00 0.00 54.97 54.07 1yho s GLU 183 Cb -0.15 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 1yho s GLU 183 CO 0.05 0.52 0.10 0.21 -0.54 0.00 0.00 175.26 175.60 1yho s LYS 184 N -1.44 4.01 -0.01 4.30 2.20 -0.57 0.48 119.74 128.71 1yho s LYS 184 Ca 0.14 -0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 55.35 1yho s LYS 184 Cb -0.10 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1yho s LYS 184 CO 0.04 0.35 0.37 -0.80 -0.36 0.00 0.00 175.35 174.95 1yho s ASN 185 N 0.20 6.73 0.00 1.43 -0.87 -0.93 -4.40 114.94 117.09 1yho s ASN 185 Ca 0.07 0.87 0.20 0.00 -1.57 0.00 0.00 52.86 52.43 1yho s ASN 185 Cb -0.12 -2.22 1.17 0.00 -0.02 0.00 0.00 41.25 40.07 1yho s ASN 185 CO -0.01 0.33 1.56 -0.67 -2.57 0.00 0.00 177.10 175.74