#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fat s ARG 2 N 0.00 1.79 -0.31 1.61 1.70 -1.26 -4.94 118.95 117.54 3fat s ARG 2 Ca 0.00 0.61 -0.19 0.00 -0.47 0.00 0.00 55.73 55.68 3fat s ARG 2 Cb 0.00 -1.89 -0.01 0.00 -0.57 0.00 0.00 34.95 32.48 3fat s ARG 2 CO 0.00 -1.82 0.56 0.99 -1.08 0.00 0.00 175.30 173.95 3fat s THR 3 N -3.14 4.99 -0.05 4.99 2.01 -1.26 -4.32 115.64 118.87 3fat s THR 3 Ca 0.62 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 3fat s THR 3 Cb -0.15 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3fat s THR 3 CO 0.55 -0.11 1.19 -0.69 -0.69 0.00 0.00 174.62 174.86 3fat s VAL 4 N 2.47 4.27 -0.19 3.82 1.01 0.08 -4.79 120.40 127.07 3fat s VAL 4 Ca 0.22 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 3fat s VAL 4 Cb -0.15 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3fat s VAL 4 CO 0.12 0.01 1.10 -0.69 0.00 0.00 0.00 175.10 175.63 3fat s VAL 5 N 2.12 4.58 -0.27 2.92 1.01 -1.26 -0.32 120.40 129.18 3fat s VAL 5 Ca 0.56 1.90 -0.08 0.00 0.00 0.00 0.00 61.98 64.35 3fat s VAL 5 Cb -0.25 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3fat s VAL 5 CO 0.22 -0.14 0.09 -0.69 0.00 0.00 0.00 175.10 174.59 3fat s VAL 6 N 3.07 4.35 0.11 2.92 1.01 -0.01 -1.20 120.40 130.65 3fat s VAL 6 Ca 0.48 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 3fat s VAL 6 Cb -0.17 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 3fat s VAL 6 CO 0.10 0.24 0.65 0.28 0.00 0.00 0.00 175.10 176.37 3fat s THR 7 N 1.60 4.60 0.16 3.92 -1.32 0.38 -0.50 115.64 124.49 3fat s THR 7 Ca 0.05 1.41 -0.04 0.00 -1.21 0.00 0.00 61.69 61.90 3fat s THR 7 Cb -0.16 -3.99 0.02 0.00 -1.51 0.00 0.00 72.50 66.85 3fat s THR 7 CO 0.04 0.54 0.28 1.07 -2.21 0.00 0.00 174.62 174.34 3fat n THR 8 N 1.70 0.00 -3.92 5.08 5.66 -1.11 -2.21 114.28 119.49 3fat n THR 8 Ca -0.08 -0.57 -0.11 0.00 -3.05 0.00 0.00 64.05 60.24 3fat n THR 8 Cb 0.50 0.44 -0.12 0.00 -1.55 0.00 0.00 70.33 69.59 3fat n THR 8 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3fat s ILE 9 N -2.61 0.05 -0.42 1.09 2.07 -1.26 -0.93 121.20 119.20 3fat s ILE 9 Ca 0.09 -0.45 -0.29 0.00 -1.41 0.00 0.00 60.65 58.59 3fat s ILE 9 Cb -0.01 -0.14 0.01 0.00 0.13 0.00 0.00 42.46 42.44 3fat s ILE 9 CO 0.07 -0.25 1.47 -0.04 -1.91 0.00 0.00 174.94 174.28 3fat s MET 10 N -0.73 3.50 -0.30 3.50 -1.94 -1.26 -4.37 119.30 117.70 3fat s MET 10 Ca -0.08 0.96 -0.03 0.00 -1.71 0.00 0.00 55.69 54.84 3fat s MET 10 Cb -0.05 -4.06 0.18 0.00 2.01 0.00 0.00 34.83 32.91 3fat s MET 10 CO -0.00 -1.66 0.61 -2.00 -0.01 0.00 0.00 175.02 171.96 3fat s GLU 11 N 5.12 0.57 0.24 2.03 2.56 -0.94 -4.99 118.70 123.29 3fat s GLU 11 Ca 0.63 1.07 -0.30 0.00 0.00 0.00 0.00 54.97 56.38 3fat s GLU 11 Cb -0.15 0.61 -0.09 0.00 2.00 0.00 0.00 34.13 36.50 3fat s GLU 11 CO 0.32 -0.55 1.13 -1.12 -0.56 0.00 0.00 175.26 174.48 3fat s SER 12 N 2.87 7.21 -0.39 -1.70 0.01 -1.26 -0.07 113.70 120.36 3fat s SER 12 Ca 0.16 2.25 0.07 0.00 1.31 0.00 0.00 55.95 59.74 3fat s SER 12 Cb -0.14 -2.62 0.68 0.00 0.21 0.00 0.00 66.02 64.15 3fat s SER 12 CO -0.21 -0.22 1.84 -0.81 0.41 0.00 0.00 173.24 174.25 3fat n PRO 13 N 1.66 2.71 -0.01 12.44 -0.04 -1.26 -4.93 135.00 145.57 3fat n PRO 13 Ca 0.01 -3.05 -0.12 0.00 -0.04 0.00 0.00 63.50 60.29 3fat n PRO 13 Cb 0.45 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3fat n PRO 13 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3fat h TYR 14 N 1.56 -0.06 -3.35 0.54 0.05 -0.81 -0.88 116.97 114.02 3fat h TYR 14 Ca 0.47 -0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.87 3fat h TYR 14 Cb 2.58 0.02 -0.37 0.00 1.01 0.00 0.00 36.73 39.97 3fat h TYR 14 CO 1.44 0.53 -0.75 0.08 -1.05 0.00 0.00 178.16 178.41 3fat s VAL 15 N -3.42 0.13 0.05 -2.88 1.01 -0.49 -0.66 120.40 114.15 3fat s VAL 15 Ca -0.15 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3fat s VAL 15 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3fat s VAL 15 CO 0.60 0.20 -0.06 -0.04 0.00 0.00 0.00 175.10 175.80 3fat s MET 16 N 1.77 0.59 0.17 2.72 -1.94 0.46 -2.21 119.30 120.85 3fat s MET 16 Ca 0.01 -0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 52.75 3fat s MET 16 Cb -0.13 -0.16 -0.08 0.00 2.01 0.00 0.00 34.83 36.48 3fat s MET 16 CO -0.03 0.00 1.21 0.71 -0.01 0.00 0.00 175.02 176.90 3fat s TYR 17 N -2.24 3.40 0.71 -0.03 2.02 -1.26 -1.04 117.35 118.90 3fat s TYR 17 Ca -0.03 1.38 -0.16 0.00 -0.37 0.00 0.00 57.07 57.89 3fat s TYR 17 Cb -0.04 -3.45 0.03 0.00 -0.40 0.00 0.00 41.96 38.09 3fat s TYR 17 CO -0.02 -1.31 1.21 0.15 -1.57 0.00 0.00 175.55 174.00 3fat s LYS 18 N -0.09 2.30 0.24 -0.62 1.02 -0.24 -4.84 119.74 117.51 3fat s LYS 18 Ca 0.54 1.76 -0.31 0.00 0.02 0.00 0.00 55.97 57.98 3fat s LYS 18 Cb -0.33 -1.85 -0.12 0.00 -0.52 0.00 0.00 37.83 35.01 3fat s LYS 18 CO 0.36 -1.71 1.66 0.21 -0.92 0.00 0.00 175.35 174.94 3fat s LYS 19 N -3.83 4.13 -1.08 1.68 2.20 -1.26 -2.10 119.74 119.48 3fat s LYS 19 Ca 0.75 2.58 -0.07 0.00 -0.36 0.00 0.00 55.97 58.87 3fat s LYS 19 Cb -0.29 -3.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3fat s LYS 19 CO 0.43 -0.69 0.94 0.09 -0.36 0.00 0.00 175.35 175.76 3fat n ASN 20 N 3.18 -5.45 0.33 1.43 5.03 -1.26 -4.88 115.26 113.63 3fat n ASN 20 Ca 0.12 -0.43 0.20 0.00 0.87 0.00 0.00 54.58 55.35 3fat n ASN 20 Cb 0.36 -4.09 1.09 0.00 -1.02 0.00 0.00 39.78 36.12 3fat n ASN 20 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 3fat h HIS 21 N -2.15 0.00 -0.08 3.10 2.07 -1.74 -2.53 115.15 113.83 3fat h HIS 21 Ca -0.45 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.09 3fat h HIS 21 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 3fat h HIS 21 CO 0.40 0.00 0.06 0.93 -3.07 0.00 0.00 177.93 176.25 3fat h GLU 22 N 0.00 0.00 -0.61 5.12 3.07 -1.90 -1.55 114.58 118.71 3fat h GLU 22 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fat h GLU 22 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3fat h GLU 22 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3fat n MET 23 N -4.32 2.89 -4.45 2.33 0.00 -0.95 -4.86 117.12 107.75 3fat n MET 23 Ca -0.01 -1.95 -0.24 0.00 0.00 0.00 0.00 57.70 55.49 3fat n MET 23 Cb 0.17 -1.70 -0.10 0.00 0.00 0.00 0.00 33.22 31.59 3fat n MET 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3fat s PHE 24 N -1.76 2.39 0.08 3.17 0.08 -0.59 -5.11 117.98 116.25 3fat s PHE 24 Ca 0.35 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 57.12 3fat s PHE 24 Cb 0.23 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 3fat s PHE 24 CO 0.17 0.66 -0.22 -1.21 -0.10 0.00 0.00 175.22 174.51 3fat s GLU 25 N -3.57 1.32 6.26 0.44 2.02 -1.26 -4.78 118.70 119.12 3fat s GLU 25 Ca 0.31 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3fat s GLU 25 Cb -0.03 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.64 3fat s GLU 25 CO 0.16 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3fat n GLY 26 N 1.38 3.13 0.34 -1.39 0.00 -1.26 -2.34 105.19 105.06 3fat n GLY 26 Ca -0.18 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.73 3fat n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fat h ASN 27 N 5.75 0.06 0.32 1.61 2.35 -1.93 -2.24 115.58 121.51 3fat h ASN 27 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fat h ASN 27 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3fat h ASN 27 CO 0.00 0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.29 3fat n ASP 28 N -4.44 0.23 0.23 5.81 8.00 -0.99 -1.87 116.55 123.52 3fat n ASP 28 Ca 0.06 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.24 3fat n ASP 28 Cb 0.40 -0.62 0.44 0.00 -0.02 0.00 0.00 41.12 41.32 3fat n ASP 28 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3fat h LYS 29 N 0.00 0.00 -6.19 -1.24 1.57 -1.54 -3.45 116.57 105.72 3fat h LYS 29 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3fat h LYS 29 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 3fat h LYS 29 CO 0.00 0.18 -0.58 0.71 -0.57 0.00 0.00 179.45 179.19 3fat s TYR 30 N -3.56 2.87 0.14 -1.35 2.02 -0.78 -1.08 117.35 115.61 3fat s TYR 30 Ca 0.02 -0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 3fat s TYR 30 Cb 0.09 -1.35 0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3fat s TYR 30 CO 0.63 0.53 0.44 -1.83 -1.57 0.00 0.00 175.55 173.76 3fat s GLU 31 N -3.77 1.13 0.00 -0.62 -1.05 -0.21 -4.77 118.70 109.41 3fat s GLU 31 Ca 0.33 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 3fat s GLU 31 Cb -0.07 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3fat s GLU 31 CO 0.22 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.39 3fat n GLY 32 N -0.26 1.09 0.23 -3.83 0.00 -1.26 -0.40 105.19 100.76 3fat n GLY 32 Ca -0.16 -1.84 -0.00 0.00 0.00 0.00 0.00 46.02 44.02 3fat n GLY 32 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fat h TYR 33 N 0.00 0.34 0.00 1.61 3.20 -0.79 -1.00 116.97 120.32 3fat h TYR 33 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3fat h TYR 33 Cb 0.00 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3fat h TYR 33 CO 0.00 0.07 -0.45 0.00 -1.64 0.00 0.00 178.16 176.14 3fat h VAL 35 N 0.00 1.29 -0.62 0.00 2.07 -1.43 -0.04 116.25 117.52 3fat h VAL 35 Ca -0.00 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 3fat h VAL 35 Cb 1.24 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3fat h VAL 35 CO 0.06 0.44 0.15 0.44 0.02 0.00 0.00 177.57 178.69 3fat h ASP 36 N 0.47 0.94 -0.64 0.57 3.32 -1.04 -2.27 116.42 117.78 3fat h ASP 36 Ca 0.06 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 3fat h ASP 36 Cb 0.78 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3fat h ASP 36 CO 0.06 0.93 0.11 0.25 -1.72 0.00 0.00 179.24 178.87 3fat h LEU 37 N 0.91 1.01 -0.69 1.55 5.85 -0.95 -1.00 115.31 121.99 3fat h LEU 37 Ca 0.20 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3fat h LEU 37 Cb 0.35 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3fat h LEU 37 CO 0.00 1.01 0.45 0.00 -0.34 0.00 0.00 178.44 179.56 3fat h ALA 38 N 1.04 0.90 -0.49 1.25 0.00 -0.89 0.06 119.26 121.11 3fat h ALA 38 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3fat h ALA 38 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fat h ALA 38 CO 0.01 0.25 0.21 1.03 0.00 0.00 0.00 179.25 180.75 3fat h SER 39 N 0.89 0.66 -0.25 0.00 0.87 -1.07 -0.81 113.55 113.83 3fat h SER 39 Ca 0.27 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3fat h SER 39 Cb -0.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3fat h SER 39 CO -0.09 0.63 0.11 -0.33 -0.53 0.00 0.00 176.83 176.62 3fat h GLU 40 N 0.65 0.37 -0.41 2.24 4.39 -0.73 -2.22 114.58 118.88 3fat h GLU 40 Ca 0.17 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3fat h GLU 40 Cb 0.16 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3fat h GLU 40 CO -0.02 0.40 0.19 0.82 -1.16 0.00 0.00 179.01 179.24 3fat h ILE 41 N 0.26 1.18 -0.87 3.13 2.04 -0.90 -2.03 117.51 120.32 3fat h ILE 41 Ca 0.08 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3fat h ILE 41 Cb 0.16 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3fat h ILE 41 CO -0.01 0.20 0.57 0.00 0.00 0.00 0.00 178.15 178.91 3fat h ALA 42 N 1.04 1.44 -0.31 1.87 0.00 -1.05 -1.00 119.26 121.25 3fat h ALA 42 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3fat h ALA 42 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fat h ALA 42 CO -0.02 0.48 -0.35 0.87 0.00 0.00 0.00 179.25 180.24 3fat h LYS 43 N 1.10 0.71 0.00 0.00 1.79 -1.17 -0.07 116.57 118.94 3fat h LYS 43 Ca 0.34 -0.34 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3fat h LYS 43 Cb -0.01 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3fat h LYS 43 CO -0.09 0.95 -0.09 0.45 -1.08 0.00 0.00 179.45 179.58 3fat h HIS 44 N 0.59 0.00 -0.01 -1.35 3.86 -0.56 -3.28 115.15 114.40 3fat h HIS 44 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3fat h HIS 44 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3fat h HIS 44 CO 0.04 0.09 -0.16 0.44 0.86 0.00 0.00 177.93 179.21 3fat n ILE 45 N -3.13 0.00 -2.29 2.45 -5.35 -0.47 -5.01 119.36 105.56 3fat n ILE 45 Ca 0.03 -0.42 -0.02 0.00 -0.27 0.00 0.00 62.75 62.07 3fat n ILE 45 Cb 0.53 1.10 0.01 0.00 -1.74 0.00 0.00 39.64 39.54 3fat n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fat n GLY 46 N 0.79 0.50 3.34 3.28 0.00 -0.13 -5.07 105.19 107.91 3fat n GLY 46 Ca 0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 3fat n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fat s ILE 47 N -3.03 1.92 0.13 -0.61 -4.36 -0.65 -5.03 121.20 109.57 3fat s ILE 47 Ca 0.02 -1.87 -0.06 0.00 -0.26 0.00 0.00 60.65 58.49 3fat s ILE 47 Cb -0.01 -1.85 -0.06 0.00 1.25 0.00 0.00 42.46 41.80 3fat s ILE 47 CO 0.07 -0.22 0.38 -0.54 0.24 0.00 0.00 174.94 174.87 3fat s LYS 48 N -2.58 3.64 0.08 0.37 1.02 -1.26 -4.66 119.74 116.34 3fat s LYS 48 Ca 0.15 -0.04 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 3fat s LYS 48 Cb -0.07 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3fat s LYS 48 CO 0.07 0.49 0.23 1.52 -0.92 0.00 0.00 175.35 176.74 3fat s TYR 49 N -1.60 0.06 -0.09 3.18 -0.85 -1.26 -0.74 117.35 116.05 3fat s TYR 49 Ca 0.39 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.55 3fat s TYR 49 Cb -0.12 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.24 3fat s TYR 49 CO 0.23 -0.54 -0.10 0.21 -1.52 0.00 0.00 175.55 173.83 3fat s LYS 50 N -3.49 1.64 0.04 -3.49 2.20 0.56 -4.85 119.74 112.36 3fat s LYS 50 Ca 0.02 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 3fat s LYS 50 Cb 0.03 -1.51 -0.05 0.00 -1.51 0.00 0.00 37.83 34.79 3fat s LYS 50 CO -0.09 -0.11 1.13 0.42 -0.36 0.00 0.00 175.35 176.34 3fat s ILE 51 N 1.16 4.28 -0.19 5.43 1.01 -1.26 -0.83 121.20 130.80 3fat s ILE 51 Ca -0.05 1.64 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 3fat s ILE 51 Cb -0.14 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.33 3fat s ILE 51 CO -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 174.94 175.04 3fat s ALA 52 N 1.05 1.34 0.13 9.38 0.00 0.35 -4.88 121.76 129.13 3fat s ALA 52 Ca 0.57 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 3fat s ALA 52 Cb -0.27 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.56 3fat s ALA 52 CO 0.29 -1.05 1.41 0.42 0.00 0.00 0.00 175.76 176.83 3fat s ILE 53 N 1.69 3.18 0.04 0.00 -1.09 -1.26 -2.74 121.20 121.02 3fat s ILE 53 Ca -0.01 0.86 -0.33 0.00 -2.23 0.00 0.00 60.65 58.94 3fat s ILE 53 Cb -0.17 -3.55 -0.11 0.00 -1.58 0.00 0.00 42.46 37.05 3fat s ILE 53 CO -0.07 0.07 1.84 0.55 -1.23 0.00 0.00 174.94 176.09 3fat n VAL 54 N 3.84 0.46 -0.27 2.92 3.14 -0.10 -4.88 118.33 123.44 3fat n VAL 54 Ca 0.11 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3fat n VAL 54 Cb 0.42 -1.97 0.13 0.00 -1.06 0.00 0.00 33.84 31.36 3fat n VAL 54 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3fat h PRO 55 N 8.72 0.75 -0.01 1.45 0.11 -1.91 -1.98 132.00 139.13 3fat h PRO 55 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fat h PRO 55 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fat h PRO 55 CO 0.94 0.50 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.78 3fat n ASP 56 N -4.74 0.60 -1.10 -2.05 5.68 -1.26 -4.92 116.55 108.76 3fat n ASP 56 Ca 0.11 -0.95 -0.13 0.00 -0.50 0.00 0.00 54.79 53.32 3fat n ASP 56 Cb 0.21 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.11 3fat n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fat n GLY 57 N 1.17 1.05 3.65 6.12 0.00 -0.74 -4.99 105.19 111.44 3fat n GLY 57 Ca 0.19 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3fat n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fat s LYS 58 N -3.43 2.33 -0.09 1.61 1.02 -1.26 -4.92 119.74 115.00 3fat s LYS 58 Ca 0.00 -1.34 -0.17 0.00 0.02 0.00 0.00 55.97 54.48 3fat s LYS 58 Cb 0.00 -2.21 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 3fat s LYS 58 CO 0.00 0.39 0.61 1.88 -0.92 0.00 0.00 175.35 177.30 3fat h TYR 59 N 2.08 -0.10 0.00 3.18 0.05 -1.91 -2.56 116.97 117.71 3fat h TYR 59 Ca -0.45 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3fat h TYR 59 Cb 1.24 0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.01 3fat h TYR 59 CO 0.66 0.36 0.00 0.41 -1.05 0.00 0.00 178.16 178.54 3fat n GLY 60 N 1.18 3.33 3.79 3.88 0.00 -1.25 -1.82 105.19 114.30 3fat n GLY 60 Ca -0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3fat n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fat s ALA 61 N 0.00 -0.86 0.10 4.61 0.00 -1.25 -4.59 121.76 119.76 3fat s ALA 61 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3fat s ALA 61 Cb 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 3fat s ALA 61 CO 0.00 -0.99 1.04 1.03 0.00 0.00 0.00 175.76 176.84 3fat s ARG 62 N -3.50 4.60 0.27 0.00 3.00 -1.26 -1.30 118.95 120.76 3fat s ARG 62 Ca 0.15 1.56 -0.30 0.00 0.00 0.00 0.00 55.73 57.14 3fat s ARG 62 Cb -0.05 -3.36 -0.11 0.00 0.00 0.00 0.00 34.95 31.43 3fat s ARG 62 CO 0.09 0.04 1.52 0.34 0.00 0.00 0.00 175.30 177.29 3fat s ASP 63 N 0.37 6.51 0.28 0.23 2.15 -0.12 -4.85 116.67 121.23 3fat s ASP 63 Ca 0.51 2.82 -0.03 0.00 0.43 0.00 0.00 52.55 56.28 3fat s ASP 63 Cb -0.25 -2.63 0.39 0.00 -0.30 0.00 0.00 42.92 40.13 3fat s ASP 63 CO 0.31 -0.81 1.92 0.00 -0.17 0.00 0.00 175.17 176.42 3fat h ALA 64 N 4.88 1.39 0.09 3.66 0.00 -1.95 0.21 119.26 127.54 3fat h ALA 64 Ca -0.47 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.04 3fat h ALA 64 Cb 1.22 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3fat h ALA 64 CO 0.78 0.52 -2.06 -0.25 0.00 0.00 0.00 179.25 178.24 3fat n ASP 65 N -4.44 1.89 -0.01 0.00 8.00 -1.26 -4.48 116.55 116.26 3fat n ASP 65 Ca 0.13 0.17 0.06 0.00 0.71 0.00 0.00 54.79 55.85 3fat n ASP 65 Cb 0.09 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 3fat n ASP 65 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fat n THR 66 N -3.37 0.48 -0.91 -3.53 -2.24 -1.22 -4.98 114.28 98.50 3fat n THR 66 Ca -0.33 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3fat n THR 66 Cb 1.04 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3fat n THR 66 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fat n LYS 67 N -2.47 -0.31 -2.43 -0.78 4.76 0.75 -4.96 118.16 112.71 3fat n LYS 67 Ca -0.10 0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 3fat n LYS 67 Cb 0.72 -3.39 -0.04 0.00 -1.84 0.00 0.00 35.03 30.48 3fat n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fat s ILE 68 N -2.38 3.72 0.22 -0.18 1.01 -1.26 -4.40 121.20 117.94 3fat s ILE 68 Ca 0.00 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 61.79 3fat s ILE 68 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3fat s ILE 68 CO 0.00 0.22 1.36 0.26 0.00 0.00 0.00 174.94 176.78 3fat s TRP 69 N -0.00 3.16 0.28 3.97 0.52 -1.26 -0.94 118.94 124.66 3fat s TRP 69 Ca 0.52 1.15 0.03 0.00 0.02 0.00 0.00 56.10 57.82 3fat s TRP 69 Cb -0.31 -3.69 0.03 0.00 -1.15 0.00 0.00 33.47 28.35 3fat s TRP 69 CO 0.35 -2.18 0.23 0.27 0.02 0.00 0.00 176.95 175.64 3fat n ASN 70 N 2.46 1.78 0.00 2.95 0.23 -0.42 -4.40 115.26 117.87 3fat n ASN 70 Ca 0.06 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 3fat n ASN 70 Cb 0.42 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 3fat n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fat n GLY 71 N 1.61 0.34 0.30 4.83 0.00 -1.26 -1.47 105.19 109.54 3fat n GLY 71 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 3fat n GLY 71 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3fat h MET 72 N 0.00 0.86 -0.52 1.61 2.86 -0.91 -2.06 114.93 116.76 3fat h MET 72 Ca 0.00 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3fat h MET 72 Cb 0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3fat h MET 72 CO 0.00 0.79 0.33 0.28 1.06 0.00 0.00 176.91 179.37 3fat h VAL 73 N 0.82 1.08 -0.45 -2.22 2.07 -1.60 -2.09 116.25 113.86 3fat h VAL 73 Ca 0.17 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3fat h VAL 73 Cb 0.34 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3fat h VAL 73 CO 0.00 0.12 0.21 1.23 0.02 0.00 0.00 177.57 179.16 3fat h GLY 74 N 0.65 0.61 0.54 2.17 0.00 -0.77 -0.43 103.07 105.85 3fat h GLY 74 Ca 0.20 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.50 3fat h GLY 74 CO -0.08 0.09 0.62 0.83 0.00 0.00 0.00 176.54 178.01 3fat h GLU 75 N 0.43 0.96 -0.09 4.80 4.39 -0.87 -1.37 114.58 122.82 3fat h GLU 75 Ca 0.20 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 3fat h GLU 75 Cb 0.12 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3fat h GLU 75 CO -0.15 0.63 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.08 3fat h LEU 76 N 0.98 0.32 -0.65 1.33 3.38 -0.86 0.06 115.31 119.87 3fat h LEU 76 Ca 0.47 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3fat h LEU 76 Cb 0.45 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3fat h LEU 76 CO -0.24 0.83 0.34 0.58 0.09 0.00 0.00 178.44 180.05 3fat h VAL 77 N -0.18 1.21 -0.02 1.22 2.07 -0.66 -3.14 116.25 116.75 3fat h VAL 77 Ca 0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3fat h VAL 77 Cb 0.78 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3fat h VAL 77 CO 0.04 0.24 -0.09 -1.22 0.02 0.00 0.00 177.57 176.56 3fat n TYR 78 N -4.51 0.00 0.00 1.57 4.01 -0.56 -4.94 117.16 112.73 3fat n TYR 78 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3fat n TYR 78 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3fat n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fat n GLY 79 N 1.27 1.03 0.02 2.72 0.00 -1.14 -4.99 105.19 104.09 3fat n GLY 79 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3fat n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fat n LYS 80 N -1.41 0.09 -3.87 1.61 5.02 -0.04 -4.89 118.16 114.66 3fat n LYS 80 Ca 0.00 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 3fat n LYS 80 Cb 0.00 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 3fat n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fat s ALA 81 N -3.05 -0.22 -0.02 7.82 0.00 -0.89 -4.96 121.76 120.44 3fat s ALA 81 Ca 0.09 -0.54 0.11 0.00 0.00 0.00 0.00 51.96 51.62 3fat s ALA 81 Cb 0.16 0.40 -0.17 0.00 0.00 0.00 0.00 23.12 23.51 3fat s ALA 81 CO 0.73 -0.45 0.24 0.39 0.00 0.00 0.00 175.76 176.66 3fat n GLU 82 N 0.22 0.40 -3.81 0.00 1.02 -0.34 -4.41 120.64 113.71 3fat n GLU 82 Ca -0.16 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.76 3fat n GLU 82 Cb 0.61 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.66 3fat n GLU 82 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fat s ILE 83 N -2.75 0.03 -0.17 -3.67 1.01 -1.11 -4.26 121.20 110.28 3fat s ILE 83 Ca -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3fat s ILE 83 Cb 0.07 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.15 3fat s ILE 83 CO 0.46 -0.13 -0.08 0.00 0.00 0.00 0.00 174.94 175.19 3fat s ALA 84 N -0.44 2.76 -0.29 9.38 0.00 0.03 -0.47 121.76 132.74 3fat s ALA 84 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3fat s ALA 84 Cb -0.04 -1.45 0.09 0.00 0.00 0.00 0.00 23.12 21.72 3fat s ALA 84 CO 0.01 0.00 0.05 0.42 0.00 0.00 0.00 175.76 176.25 3fat s ILE 85 N 0.75 1.24 0.06 0.00 1.01 -0.94 -1.80 121.20 121.51 3fat s ILE 85 Ca -0.04 -1.47 -0.28 0.00 0.00 0.00 0.00 60.65 58.86 3fat s ILE 85 Cb -0.15 -1.83 0.09 0.00 0.01 0.00 0.00 42.46 40.58 3fat s ILE 85 CO 0.02 -0.51 1.09 0.00 0.00 0.00 0.00 174.94 175.53 3fat s ALA 86 N 1.46 -1.90 -1.07 9.38 0.00 -1.26 -4.60 121.76 123.76 3fat s ALA 86 Ca 0.06 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 3fat s ALA 86 Cb -0.18 0.47 -0.08 0.00 0.00 0.00 0.00 23.12 23.34 3fat s ALA 86 CO -0.17 -0.99 2.11 -0.35 0.00 0.00 0.00 175.76 176.37 3fat n PRO 87 N -0.43 2.15 -3.74 0.00 -0.04 -1.26 -4.70 135.00 126.98 3fat n PRO 87 Ca -0.07 -2.06 -0.37 0.00 -0.04 0.00 0.00 63.50 60.96 3fat n PRO 87 Cb 0.61 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.99 3fat n PRO 87 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3fat s LEU 88 N 1.31 3.82 0.08 1.53 2.96 -1.26 -5.03 118.68 122.08 3fat s LEU 88 Ca 0.53 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.11 3fat s LEU 88 Cb 0.14 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3fat s LEU 88 CO 0.02 0.02 0.97 -0.89 -1.32 0.00 0.00 176.35 175.15 3fat s THR 89 N 1.31 4.59 -0.30 3.68 2.01 -1.26 -2.26 115.64 123.41 3fat s THR 89 Ca 0.06 2.07 -0.29 0.00 0.31 0.00 0.00 61.69 63.84 3fat s THR 89 Cb -0.15 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 3fat s THR 89 CO 0.05 0.28 1.54 -0.63 -0.69 0.00 0.00 174.62 175.17 3fat s ILE 90 N 0.25 3.80 0.08 1.82 1.01 -0.35 -4.89 121.20 122.91 3fat s ILE 90 Ca 0.48 0.87 0.03 0.00 0.00 0.00 0.00 60.65 62.03 3fat s ILE 90 Cb -0.23 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3fat s ILE 90 CO 0.29 -0.45 -0.08 0.42 0.00 0.00 0.00 174.94 175.12 3fat s THR 91 N 5.35 0.77 0.14 2.92 -4.23 -1.26 -4.77 115.64 114.56 3fat s THR 91 Ca 0.67 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.39 3fat s THR 91 Cb -0.20 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.35 3fat s THR 91 CO 0.29 -0.62 1.70 0.25 -0.54 0.00 0.00 174.62 175.71 3fat h LEU 92 N 3.58 -0.16 -1.62 4.79 5.85 -1.98 -0.27 115.31 125.50 3fat h LEU 92 Ca -0.36 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3fat h LEU 92 Cb 1.18 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 3fat h LEU 92 CO 0.54 -0.05 0.19 1.62 -0.34 0.00 0.00 178.44 180.40 3fat h VAL 93 N 0.06 1.10 0.19 1.05 3.04 -2.00 -1.71 116.25 117.98 3fat h VAL 93 Ca 0.14 -0.24 -0.31 0.00 -1.01 0.00 0.00 66.70 65.27 3fat h VAL 93 Cb 0.19 0.65 0.03 0.00 -2.01 0.00 0.00 31.29 30.15 3fat h VAL 93 CO -0.25 0.11 -1.34 0.03 -1.01 0.00 0.00 177.57 175.10 3fat h ARG 94 N 0.45 0.58 0.00 4.17 3.08 -1.87 -3.29 114.38 117.50 3fat h ARG 94 Ca 0.12 -0.87 0.00 0.00 0.07 0.00 0.00 59.98 59.29 3fat h ARG 94 Cb -0.00 0.31 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3fat h ARG 94 CO -0.02 1.41 0.00 1.49 -1.07 0.00 0.00 179.97 181.78 3fat h GLU 95 N 0.19 0.00 0.00 0.04 4.57 -0.33 -0.25 114.58 118.80 3fat h GLU 95 Ca -0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3fat h GLU 95 Cb 2.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 3fat h GLU 95 CO 0.25 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 179.01 3fat h GLU 96 N 0.00 0.00 0.00 1.92 5.08 -1.40 -3.37 114.58 116.81 3fat h GLU 96 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fat h GLU 96 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fat h GLU 96 CO 0.00 0.00 -1.00 1.33 -1.00 0.00 0.00 179.01 178.34 3fat n VAL 97 N -2.85 0.00 -4.45 3.13 0.24 -0.25 -5.07 118.33 109.09 3fat n VAL 97 Ca 0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.08 3fat n VAL 97 Cb 0.38 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.00 3fat n VAL 97 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3fat s ILE 98 N -2.00 0.35 -0.07 1.34 -5.25 -0.36 -4.36 121.20 110.86 3fat s ILE 98 Ca 0.00 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 57.68 3fat s ILE 98 Cb 0.00 -2.35 -0.02 0.00 2.95 0.00 0.00 42.46 43.03 3fat s ILE 98 CO 0.00 0.00 -0.13 -1.81 -1.79 0.00 0.00 174.94 171.21 3fat s ASP 99 N -3.55 4.15 -0.04 4.36 1.01 -0.03 -4.34 116.67 118.24 3fat s ASP 99 Ca 0.28 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.36 3fat s ASP 99 Cb 0.02 -1.06 -0.03 0.00 1.01 0.00 0.00 42.92 42.85 3fat s ASP 99 CO 0.19 0.31 -0.03 -0.36 0.21 0.00 0.00 175.17 175.49 3fat s PHE 100 N -0.52 3.03 1.05 4.23 0.08 -1.26 -0.80 117.98 123.78 3fat s PHE 100 Ca 0.07 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.07 3fat s PHE 100 Cb -0.12 -1.70 0.22 0.00 -0.57 0.00 0.00 43.02 40.86 3fat s PHE 100 CO 0.02 0.42 1.07 -1.54 -0.10 0.00 0.00 175.22 175.08 3fat s SER 101 N -1.20 2.06 0.80 1.36 1.04 0.52 -4.94 113.70 113.33 3fat s SER 101 Ca 0.16 1.39 -0.14 0.00 0.48 0.00 0.00 55.95 57.84 3fat s SER 101 Cb -0.11 -2.10 0.05 0.00 0.10 0.00 0.00 66.02 63.96 3fat s SER 101 CO 0.06 -3.51 0.99 0.29 0.98 0.00 0.00 173.24 172.05 3fat n LYS 102 N -4.45 0.21 -2.05 4.02 4.76 -1.26 -4.56 118.16 114.83 3fat n LYS 102 Ca 0.05 0.14 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 3fat n LYS 102 Cb 0.56 -2.26 -0.02 0.00 -1.84 0.00 0.00 35.03 31.46 3fat n LYS 102 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3fat s PRO 103 N -3.74 4.30 0.00 1.97 0.04 -1.26 -4.61 135.00 131.70 3fat s PRO 103 Ca 0.71 2.27 0.22 0.00 0.04 0.00 0.00 61.00 64.24 3fat s PRO 103 Cb -0.30 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 3fat s PRO 103 CO 0.53 -0.31 0.95 1.97 0.04 0.00 0.00 177.00 180.18 3fat n PHE 104 N 1.50 0.04 -3.67 0.56 1.16 -0.16 -4.97 117.46 111.92 3fat n PHE 104 Ca 0.03 0.01 -0.14 0.00 -1.87 0.00 0.00 57.45 55.48 3fat n PHE 104 Cb 0.41 -0.15 -0.08 0.00 -1.61 0.00 0.00 39.48 38.05 3fat n PHE 104 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3fat s MET 105 N -3.08 0.71 0.06 3.97 0.00 -1.25 -5.01 119.30 114.70 3fat s MET 105 Ca 0.06 0.57 0.01 0.00 0.00 0.00 0.00 55.69 56.33 3fat s MET 105 Cb 0.16 0.34 -0.04 0.00 0.00 0.00 0.00 34.83 35.29 3fat s MET 105 CO 0.84 -0.13 0.18 -1.12 0.00 0.00 0.00 175.02 174.79 3fat s SER 106 N -0.14 6.18 0.21 1.11 0.01 -1.26 -1.68 113.70 118.13 3fat s SER 106 Ca -0.03 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 3fat s SER 106 Cb -0.03 -1.86 0.07 0.00 0.21 0.00 0.00 66.02 64.41 3fat s SER 106 CO 0.03 0.18 0.99 -1.48 0.41 0.00 0.00 173.24 173.36 3fat s LEU 107 N -2.45 -0.03 0.13 2.44 -0.00 -0.22 -4.89 118.68 113.67 3fat s LEU 107 Ca 0.33 -0.69 -0.15 0.00 -0.00 0.00 0.00 54.13 53.62 3fat s LEU 107 Cb -0.13 2.21 0.03 0.00 -0.00 0.00 0.00 46.19 48.30 3fat s LEU 107 CO 0.26 -1.08 0.39 -0.83 -0.00 0.00 0.00 176.35 175.09 3fat s GLY 108 N -3.28 -0.15 0.38 -3.48 0.00 -1.26 -0.50 107.32 99.03 3fat s GLY 108 Ca 0.19 -0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 3fat s GLY 108 CO 0.06 -0.39 1.28 -0.42 0.00 0.00 0.00 173.10 173.62 3fat s ILE 109 N -3.83 2.74 0.22 0.90 1.01 -1.26 -0.48 121.20 120.50 3fat s ILE 109 Ca 0.05 0.69 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 3fat s ILE 109 Cb 0.02 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3fat s ILE 109 CO -0.10 0.12 0.19 -0.94 0.00 0.00 0.00 174.94 174.21 3fat s SER 110 N -0.71 0.28 -0.18 3.58 1.04 0.67 0.05 113.70 118.44 3fat s SER 110 Ca 0.54 -1.38 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 3fat s SER 110 Cb -0.37 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 3fat s SER 110 CO 0.49 -0.90 -0.02 -0.63 0.98 0.00 0.00 173.24 173.15 3fat s ILE 111 N -4.05 3.86 -0.17 -1.02 1.01 -1.26 -2.08 121.20 117.49 3fat s ILE 111 Ca 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 3fat s ILE 111 Cb 0.06 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3fat s ILE 111 CO 0.13 0.46 -0.03 -0.32 0.00 0.00 0.00 174.94 175.18 3fat s MET 112 N 0.74 3.61 0.25 2.79 -2.45 -0.10 -1.93 119.30 122.20 3fat s MET 112 Ca -0.01 -0.54 0.10 0.00 -1.25 0.00 0.00 55.69 53.99 3fat s MET 112 Cb -0.14 -2.95 -0.05 0.00 1.25 0.00 0.00 34.83 32.94 3fat s MET 112 CO 0.02 0.13 -0.17 0.96 1.05 0.00 0.00 175.02 177.01 3fat s ILE 113 N 0.64 2.14 0.28 10.11 -4.36 -0.74 -1.40 121.20 127.87 3fat s ILE 113 Ca -0.02 -2.32 -0.29 0.00 -0.26 0.00 0.00 60.65 57.76 3fat s ILE 113 Cb -0.14 -2.20 -0.10 0.00 1.25 0.00 0.00 42.46 41.27 3fat s ILE 113 CO 0.02 -0.48 1.12 -0.75 0.24 0.00 0.00 174.94 175.10 3fat s LYS 114 N -3.57 4.61 0.27 0.37 2.20 -1.26 -1.94 119.74 120.40 3fat s LYS 114 Ca 0.27 1.85 -0.31 0.00 -0.36 0.00 0.00 55.97 57.42 3fat s LYS 114 Cb -0.03 -3.18 -0.13 0.00 -1.51 0.00 0.00 37.83 32.98 3fat s LYS 114 CO 0.11 0.16 1.49 1.63 -0.36 0.00 0.00 175.35 178.39 3fat n LYS 115 N 1.22 2.35 0.00 4.03 5.02 0.11 -1.86 118.16 129.04 3fat n LYS 115 Ca -0.01 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3fat n LYS 115 Cb 0.44 -2.55 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 3fat n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fat n GLY 116 N 2.15 0.82 3.73 0.72 0.00 -1.26 -5.00 105.19 106.36 3fat n GLY 116 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3fat n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fat s THR 117 N -2.24 3.33 -1.50 2.61 2.01 -0.78 -4.92 115.64 114.17 3fat s THR 117 Ca 0.00 1.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.94 3fat s THR 117 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3fat s THR 117 CO 0.00 0.13 2.61 -0.81 -0.69 0.00 0.00 174.62 175.87 3fat n PRO 118 N 3.02 3.22 -3.86 4.92 -0.04 -1.26 -4.83 135.00 136.18 3fat n PRO 118 Ca 0.07 -2.29 -0.15 0.00 -0.04 0.00 0.00 63.50 61.09 3fat n PRO 118 Cb 0.43 -2.97 -0.15 0.00 -0.04 0.00 0.00 33.50 30.77 3fat n PRO 118 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fat s ILE 119 N 2.72 0.04 0.00 0.52 -1.09 -1.26 -5.01 121.20 117.12 3fat s ILE 119 Ca 0.59 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 3fat s ILE 119 Cb 0.16 -0.12 0.00 0.00 -1.58 0.00 0.00 42.46 40.92 3fat s ILE 119 CO -0.06 0.08 0.09 -0.62 -1.23 0.00 0.00 174.94 173.20 3fat n GLU 120 N 3.83 3.01 -3.75 2.79 1.02 -1.26 -4.95 120.64 121.33 3fat n GLU 120 Ca -0.23 -0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 56.74 3fat n GLU 120 Cb 0.53 -0.45 -0.02 0.00 -0.02 0.00 0.00 31.44 31.48 3fat n GLU 120 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fat s SER 121 N -0.45 -0.33 0.25 1.62 1.04 -1.26 -3.57 113.70 110.99 3fat s SER 121 Ca 0.00 -0.45 -0.05 0.00 0.48 0.00 0.00 55.95 55.93 3fat s SER 121 Cb 0.00 0.69 0.28 0.00 0.10 0.00 0.00 66.02 67.09 3fat s SER 121 CO 0.00 -1.24 1.85 0.00 0.98 0.00 0.00 173.24 174.83 3fat h ALA 122 N 2.00 1.19 -0.68 5.32 0.00 -1.97 -1.95 119.26 123.16 3fat h ALA 122 Ca -0.23 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.60 3fat h ALA 122 Cb 1.26 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3fat h ALA 122 CO 0.27 0.62 0.37 0.93 0.00 0.00 0.00 179.25 181.43 3fat h GLU 123 N 1.11 0.64 -1.01 0.00 3.07 -1.96 -1.54 114.58 114.90 3fat h GLU 123 Ca 0.27 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.15 3fat h GLU 123 Cb 0.11 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 27.81 3fat h GLU 123 CO -0.03 0.42 0.65 -0.44 -1.40 0.00 0.00 179.01 178.21 3fat h ASP 124 N 0.66 1.07 -0.29 1.42 3.32 -1.76 -2.24 116.42 118.60 3fat h ASP 124 Ca 0.32 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3fat h ASP 124 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3fat h ASP 124 CO -0.21 0.70 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.88 3fat h LEU 125 N 1.22 0.55 -1.08 1.55 3.38 -1.03 -3.29 115.31 116.61 3fat h LEU 125 Ca 0.42 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3fat h LEU 125 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3fat h LEU 125 CO -0.15 0.77 -0.40 0.00 0.09 0.00 0.00 178.44 178.75 3fat h ALA 126 N 0.79 1.23 -0.28 1.53 0.00 -0.89 -3.06 119.26 118.59 3fat h ALA 126 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fat h ALA 126 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fat h ALA 126 CO 0.03 0.55 0.00 0.36 0.00 0.00 0.00 179.25 180.18 3fat n LYS 127 N -4.04 2.29 -4.15 0.00 2.85 -0.88 -4.89 118.16 109.35 3fat n LYS 127 Ca -0.02 -1.28 -0.16 0.00 -1.05 0.00 0.00 58.31 55.80 3fat n LYS 127 Cb 0.45 -1.58 -0.05 0.00 -0.65 0.00 0.00 35.03 33.20 3fat n LYS 127 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3fat s GLN 128 N -1.68 1.85 0.00 -1.58 1.03 -1.16 -5.06 119.66 113.05 3fat s GLN 128 Ca 0.23 -1.83 0.00 0.00 0.04 0.00 0.00 55.36 53.80 3fat s GLN 128 Cb 0.15 0.41 0.00 0.00 0.03 0.00 0.00 33.01 33.60 3fat s GLN 128 CO 0.10 -0.74 0.00 0.25 -2.54 0.00 0.00 175.29 172.36 3fat n THR 129 N -0.57 0.00 -0.19 3.63 -2.24 -1.26 -4.85 114.28 108.80 3fat n THR 129 Ca 0.03 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 3fat n THR 129 Cb 0.62 1.07 0.06 0.00 -2.10 0.00 0.00 70.33 69.97 3fat n THR 129 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3fat h GLU 130 N 0.00 0.58 -5.02 -0.78 4.57 -1.97 -3.40 114.58 108.56 3fat h GLU 130 Ca 0.00 -0.03 -0.64 0.00 -1.18 0.00 0.00 59.36 57.51 3fat h GLU 130 Cb 0.17 -0.13 -0.20 0.00 -0.16 0.00 0.00 28.75 28.43 3fat h GLU 130 CO 0.00 0.38 -0.58 0.42 -1.18 0.00 0.00 179.01 178.05 3fat s ILE 131 N -6.12 4.68 0.67 2.32 1.01 -1.26 -4.93 121.20 117.57 3fat s ILE 131 Ca -0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3fat s ILE 131 Cb 0.14 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 3fat s ILE 131 CO 0.74 0.34 1.06 0.00 0.00 0.00 0.00 174.94 177.09 3fat s ALA 132 N 1.36 2.89 -0.07 9.38 0.00 -0.04 -4.91 121.76 130.37 3fat s ALA 132 Ca 0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 3fat s ALA 132 Cb -0.15 -3.08 0.08 0.00 0.00 0.00 0.00 23.12 19.97 3fat s ALA 132 CO 0.05 -1.01 0.73 1.52 0.00 0.00 0.00 175.76 177.05 3fat s TYR 133 N -3.21 -0.62 0.00 0.00 -0.85 -1.26 -1.03 117.35 110.38 3fat s TYR 133 Ca 0.57 1.09 0.00 0.00 -0.52 0.00 0.00 57.07 58.21 3fat s TYR 133 Cb -0.12 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.63 3fat s TYR 133 CO 0.54 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 174.41 3fat n GLY 134 N 0.96 2.73 3.28 5.49 0.00 -1.09 -4.81 105.19 111.76 3fat n GLY 134 Ca -0.18 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 3fat n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fat s THR 135 N -2.70 0.00 0.32 2.61 -4.23 -1.19 -1.19 115.64 109.25 3fat s THR 135 Ca 0.00 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.27 3fat s THR 135 Cb 0.00 -2.51 -0.10 0.00 1.34 0.00 0.00 72.50 71.23 3fat s THR 135 CO 0.00 0.00 1.34 -0.22 -0.54 0.00 0.00 174.62 175.20 3fat s LEU 136 N -3.29 4.41 0.44 4.79 2.96 -1.26 -1.81 118.68 124.92 3fat s LEU 136 Ca 0.39 2.71 -0.21 0.00 -0.22 0.00 0.00 54.13 56.80 3fat s LEU 136 Cb 0.03 -3.65 -0.10 0.00 0.50 0.00 0.00 46.19 42.97 3fat s LEU 136 CO 0.22 -0.58 0.97 -0.62 -1.32 0.00 0.00 176.35 175.02 3fat s ASP 137 N -0.32 6.83 -0.84 3.68 3.68 0.62 -4.33 116.67 125.98 3fat s ASP 137 Ca 0.51 1.73 -0.04 0.00 2.13 0.00 0.00 52.55 56.88 3fat s ASP 137 Cb -0.40 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.48 3fat s ASP 137 CO 0.52 -0.44 0.73 -1.20 0.13 0.00 0.00 175.17 174.91 3fat n SER 138 N -0.71 -5.05 -1.21 -0.34 7.64 -1.26 -4.92 113.62 107.77 3fat n SER 138 Ca 0.07 -0.54 -0.00 0.00 1.01 0.00 0.00 58.87 59.41 3fat n SER 138 Cb 0.54 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 3fat n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fat n GLY 139 N -1.26 1.21 0.20 0.23 0.00 -1.26 -3.82 105.19 100.48 3fat n GLY 139 Ca -0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 3fat n GLY 139 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fat h SER 140 N 0.18 0.20 -0.13 1.61 4.64 -1.93 -2.87 113.55 115.26 3fat h SER 140 Ca -0.02 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3fat h SER 140 Cb 0.11 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3fat h SER 140 CO 0.03 0.58 -0.05 0.74 -0.87 0.00 0.00 176.83 177.26 3fat h THR 141 N 0.17 1.31 -0.94 2.95 2.02 -1.97 -0.56 112.91 115.90 3fat h THR 141 Ca 0.02 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 3fat h THR 141 Cb 0.77 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 3fat h THR 141 CO 0.06 0.31 0.57 0.50 0.37 0.00 0.00 175.52 177.33 3fat h LYS 142 N -0.08 1.27 -0.68 6.66 3.64 -1.74 -2.45 116.57 123.19 3fat h LYS 142 Ca 0.03 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3fat h LYS 142 Cb 0.51 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3fat h LYS 142 CO 0.02 0.89 0.19 0.93 -2.27 0.00 0.00 179.45 179.20 3fat h GLU 143 N 1.29 1.07 -0.73 1.90 5.08 -1.38 -2.46 114.58 119.37 3fat h GLU 143 Ca 0.34 -0.25 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 3fat h GLU 143 Cb -0.06 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 28.94 3fat h GLU 143 CO -0.06 0.94 0.18 0.35 -1.00 0.00 0.00 179.01 179.42 3fat h PHE 144 N 1.01 0.28 -0.17 4.33 3.57 -0.62 -1.49 116.94 123.85 3fat h PHE 144 Ca 0.22 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.58 3fat h PHE 144 Cb 0.34 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.07 3fat h PHE 144 CO 0.03 -0.07 -0.59 0.74 -2.23 0.00 0.00 178.31 176.19 3fat h PHE 145 N 0.28 0.92 -0.28 0.41 0.04 -1.28 -2.05 116.94 114.97 3fat h PHE 145 Ca 0.41 -0.38 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3fat h PHE 145 Cb 0.68 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3fat h PHE 145 CO -0.25 1.18 -0.03 -0.09 -0.60 0.00 0.00 178.31 178.52 3fat h ARG 146 N 0.40 0.44 0.00 1.51 2.43 -1.12 -3.03 114.38 115.01 3fat h ARG 146 Ca -0.03 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.86 3fat h ARG 146 Cb 1.22 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 3fat h ARG 146 CO 0.12 0.49 -1.00 -0.09 -1.51 0.00 0.00 179.97 177.99 3fat h ARG 147 N 0.42 0.00 -6.94 0.20 2.43 -1.24 -3.48 114.38 105.77 3fat h ARG 147 Ca 0.09 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.71 3fat h ARG 147 Cb 0.33 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 30.00 3fat h ARG 147 CO 0.01 0.72 0.66 0.45 -1.51 0.00 0.00 179.97 180.31 3fat n SER 148 N -3.23 3.22 -0.63 -3.80 2.88 -0.78 -4.92 113.62 106.36 3fat n SER 148 Ca -0.03 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.71 3fat n SER 148 Cb 0.89 -1.58 0.19 0.00 -0.75 0.00 0.00 64.21 62.95 3fat n SER 148 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3fat n LYS 149 N -0.07 2.72 -2.92 -1.46 4.76 -1.26 -4.62 118.16 115.31 3fat n LYS 149 Ca 0.05 -2.43 -0.41 0.00 -2.87 0.00 0.00 58.31 52.65 3fat n LYS 149 Cb 0.41 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 3fat n LYS 149 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fat s ILE 150 N -2.07 4.93 0.20 -0.18 -1.09 -1.26 -4.96 121.20 116.77 3fat s ILE 150 Ca 0.31 1.61 -0.18 0.00 -2.23 0.00 0.00 60.65 60.15 3fat s ILE 150 Cb 0.23 -4.12 0.19 0.00 -1.58 0.00 0.00 42.46 37.18 3fat s ILE 150 CO 0.10 0.10 1.59 0.00 -1.23 0.00 0.00 174.94 175.49 3fat h ALA 151 N 7.14 0.13 -0.74 9.38 0.00 -1.99 0.50 119.26 133.67 3fat h ALA 151 Ca -0.33 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3fat h ALA 151 Cb 1.16 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3fat h ALA 151 CO 0.80 -0.60 0.23 -0.24 0.00 0.00 0.00 179.25 179.45 3fat h VAL 152 N -0.10 1.26 -0.01 0.00 3.04 -1.99 -2.00 116.25 116.45 3fat h VAL 152 Ca 0.28 -0.91 -0.15 0.00 -1.01 0.00 0.00 66.70 64.91 3fat h VAL 152 Cb 0.56 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 3fat h VAL 152 CO -0.74 0.36 -0.69 1.88 -1.01 0.00 0.00 177.57 177.37 3fat h TYR 153 N 1.10 0.08 -0.68 3.17 0.05 -1.66 -2.34 116.97 116.69 3fat h TYR 153 Ca 0.24 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 3fat h TYR 153 Cb 0.31 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 3fat h TYR 153 CO 0.03 0.73 0.37 0.93 -1.05 0.00 0.00 178.16 179.16 3fat h GLU 154 N 0.04 0.95 -0.58 4.88 5.08 -0.60 -0.31 114.58 124.04 3fat h GLU 154 Ca -0.01 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3fat h GLU 154 Cb 1.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3fat h GLU 154 CO 0.09 0.72 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.59 3fat h LYS 155 N 0.93 1.03 -0.46 2.33 3.64 -1.20 -0.62 116.57 122.22 3fat h LYS 155 Ca 0.24 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3fat h LYS 155 Cb 0.05 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3fat h LYS 155 CO -0.04 1.02 0.26 0.52 -2.27 0.00 0.00 179.45 178.95 3fat h MET 156 N 0.92 0.63 -0.49 1.90 2.86 -1.16 -1.73 114.93 117.86 3fat h MET 156 Ca 0.16 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3fat h MET 156 Cb 0.56 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3fat h MET 156 CO 0.03 0.48 0.27 2.35 1.06 0.00 0.00 176.91 181.10 3fat h TRP 157 N 0.60 0.67 -0.61 -0.22 2.91 -0.78 -0.21 115.95 118.31 3fat h TRP 157 Ca 0.16 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.23 3fat h TRP 157 Cb 0.02 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 28.40 3fat h TRP 157 CO -0.03 0.50 0.31 1.15 -1.03 0.00 0.00 178.44 179.34 3fat h THR 158 N 0.65 0.91 0.28 2.65 2.02 -0.87 -0.45 112.91 118.09 3fat h THR 158 Ca 0.17 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3fat h THR 158 Cb 0.05 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3fat h THR 158 CO -0.03 0.10 -0.13 0.22 0.37 0.00 0.00 175.52 176.05 3fat h TYR 159 N 0.56 -0.35 -0.80 3.16 3.20 -0.98 -3.30 116.97 118.46 3fat h TYR 159 Ca 0.29 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3fat h TYR 159 Cb 0.23 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3fat h TYR 159 CO -0.11 -0.08 0.40 0.52 -1.64 0.00 0.00 178.16 177.25 3fat h MET 160 N -0.57 1.15 0.00 1.82 2.86 -0.73 -2.75 114.93 116.70 3fat h MET 160 Ca -0.04 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3fat h MET 160 Cb 0.42 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 3fat h MET 160 CO 0.06 0.87 -0.02 0.07 1.06 0.00 0.00 176.91 178.95 3fat h ARG 161 N 1.14 0.00 0.00 1.72 0.11 -1.17 -2.84 114.38 113.35 3fat h ARG 161 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3fat h ARG 161 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3fat h ARG 161 CO -0.04 0.02 -0.02 -1.13 0.10 0.00 0.00 179.97 178.91 3fat n SER 162 N -4.49 2.11 -4.77 0.08 3.41 -1.16 -5.05 113.62 103.76 3fat n SER 162 Ca -0.03 -2.64 -0.39 0.00 -0.26 0.00 0.00 58.87 55.55 3fat n SER 162 Cb 0.11 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3fat n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fat s ALA 163 N -2.08 3.27 -0.03 7.33 0.00 -1.05 -5.05 121.76 124.16 3fat s ALA 163 Ca 0.19 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.11 3fat s ALA 163 Cb 0.17 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.95 3fat s ALA 163 CO 0.02 -0.38 -0.02 -1.21 0.00 0.00 0.00 175.76 174.17 3fat s GLU 164 N -1.97 0.43 1.05 0.00 0.41 -1.26 -3.68 118.70 113.68 3fat s GLU 164 Ca 0.52 -0.00 -0.12 0.00 -0.41 0.00 0.00 54.97 54.95 3fat s GLU 164 Cb -0.31 -0.53 0.22 0.00 -1.78 0.00 0.00 34.13 31.73 3fat s GLU 164 CO 0.40 -0.08 1.07 -1.25 -0.49 0.00 0.00 175.26 174.91 3fat s PRO 165 N 0.80 -0.00 0.24 0.39 0.04 -1.26 -5.07 135.00 130.13 3fat s PRO 165 Ca -0.09 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.31 3fat s PRO 165 Cb -0.12 -1.67 -0.14 0.00 0.04 0.00 0.00 34.50 32.61 3fat s PRO 165 CO -0.01 -3.06 1.37 0.45 0.04 0.00 0.00 177.00 175.78 3fat n SER 166 N -4.43 2.56 -0.80 6.66 2.88 -1.24 -4.90 113.62 114.34 3fat n SER 166 Ca 0.05 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.86 3fat n SER 166 Cb 0.56 -1.40 0.27 0.00 -0.75 0.00 0.00 64.21 62.88 3fat n SER 166 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3fat n VAL 167 N 1.75 0.08 -3.53 2.46 0.24 -1.26 -4.90 118.33 113.17 3fat n VAL 167 Ca 0.12 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.34 61.60 3fat n VAL 167 Cb 0.31 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.66 3fat n VAL 167 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3fat s PHE 168 N -1.92 3.55 0.29 6.34 0.08 -1.26 -3.19 117.98 121.87 3fat s PHE 168 Ca 0.33 0.73 0.09 0.00 0.12 0.00 0.00 56.93 58.20 3fat s PHE 168 Cb 0.20 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3fat s PHE 168 CO 0.31 0.38 0.08 0.95 -0.10 0.00 0.00 175.22 176.84 3fat s THR 169 N -0.06 3.52 0.05 0.64 -4.23 -0.75 -4.79 115.64 110.02 3fat s THR 169 Ca 0.20 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.91 3fat s THR 169 Cb -0.14 -2.99 -0.29 0.00 1.34 0.00 0.00 72.50 70.42 3fat s THR 169 CO 0.07 -0.31 1.04 -0.09 -0.54 0.00 0.00 174.62 174.79 3fat h ARG 170 N 1.70 0.29 -5.12 3.99 2.43 -1.91 0.18 114.38 115.95 3fat h ARG 170 Ca -0.45 -0.50 -0.36 0.00 -0.81 0.00 0.00 59.98 57.86 3fat h ARG 170 Cb 1.25 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 30.84 3fat h ARG 170 CO 0.61 1.21 -0.68 0.95 -1.51 0.00 0.00 179.97 180.55 3fat s THR 171 N -2.64 1.14 0.26 0.20 -4.23 -1.26 -4.74 115.64 104.37 3fat s THR 171 Ca -0.06 -2.06 -0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3fat s THR 171 Cb 0.07 -2.13 0.08 0.00 1.34 0.00 0.00 72.50 71.85 3fat s THR 171 CO 0.88 -0.51 1.72 0.71 -0.54 0.00 0.00 174.62 176.88 3fat h THR 172 N 2.60 1.26 -0.93 3.99 1.35 -1.97 -2.85 112.91 116.35 3fat h THR 172 Ca -0.38 -1.18 0.06 0.00 -0.55 0.00 0.00 66.41 64.36 3fat h THR 172 Cb 1.21 1.17 -0.06 0.00 -1.73 0.00 0.00 68.15 68.74 3fat h THR 172 CO 0.64 0.39 0.60 0.00 -0.25 0.00 0.00 175.52 176.91 3fat h ALA 173 N 1.25 1.48 -0.48 6.62 0.00 -1.97 0.78 119.26 126.94 3fat h ALA 173 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3fat h ALA 173 Cb 0.61 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3fat h ALA 173 CO 0.04 0.38 -0.07 0.93 0.00 0.00 0.00 179.25 180.54 3fat h GLU 174 N 1.07 0.90 -0.43 0.00 5.08 -1.93 -1.02 114.58 118.26 3fat h GLU 174 Ca 0.40 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3fat h GLU 174 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3fat h GLU 174 CO -0.15 0.97 0.17 0.78 -1.00 0.00 0.00 179.01 179.77 3fat h GLY 175 N 0.75 0.69 1.19 -3.84 0.00 -1.10 -1.56 103.07 99.21 3fat h GLY 175 Ca 0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3fat h GLY 175 CO 0.04 0.36 -0.06 -2.08 0.00 0.00 0.00 176.54 174.79 3fat h VAL 176 N 0.55 1.26 -0.24 4.60 2.07 -0.83 -1.74 116.25 121.92 3fat h VAL 176 Ca 0.14 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 3fat h VAL 176 Cb 0.20 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3fat h VAL 176 CO -0.01 0.42 -0.12 0.00 0.02 0.00 0.00 177.57 177.88 3fat h ALA 177 N 1.05 1.35 -0.26 1.67 0.00 -1.07 -2.07 119.26 119.94 3fat h ALA 177 Ca 0.15 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3fat h ALA 177 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fat h ALA 177 CO 0.04 0.44 -0.49 -0.09 0.00 0.00 0.00 179.25 179.15 3fat h ARG 178 N 0.37 0.71 -0.49 0.00 2.43 -0.82 -1.75 114.38 114.83 3fat h ARG 178 Ca 0.07 -0.42 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 3fat h ARG 178 Cb 0.44 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3fat h ARG 178 CO 0.03 1.04 0.24 0.28 -1.51 0.00 0.00 179.97 180.04 3fat h VAL 179 N 0.56 1.19 0.00 0.20 2.07 -1.00 -2.62 116.25 116.65 3fat h VAL 179 Ca 0.03 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 3fat h VAL 179 Cb 1.05 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3fat h VAL 179 CO 0.10 0.21 -0.42 0.03 0.02 0.00 0.00 177.57 177.51 3fat h ARG 180 N 0.65 0.00 -0.02 1.57 3.08 -1.20 -3.20 114.38 115.26 3fat h ARG 180 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3fat h ARG 180 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3fat h ARG 180 CO -0.02 0.42 -0.18 1.63 -1.07 0.00 0.00 179.97 180.74 3fat n LYS 181 N -3.91 1.82 -0.35 0.04 4.76 -0.67 -4.45 118.16 115.39 3fat n LYS 181 Ca -0.01 -1.46 0.12 0.00 -2.87 0.00 0.00 58.31 54.08 3fat n LYS 181 Cb 0.46 -1.47 0.31 0.00 -1.84 0.00 0.00 35.03 32.49 3fat n LYS 181 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3fat n SER 182 N 0.69 3.90 -2.82 4.39 7.64 -1.00 -4.94 113.62 121.47 3fat n SER 182 Ca 0.13 -2.00 -0.20 0.00 1.01 0.00 0.00 58.87 57.81 3fat n SER 182 Cb 0.52 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 3fat n SER 182 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fat n LYS 183 N 1.62 -3.31 -0.52 1.43 5.02 -1.26 -1.37 118.16 119.77 3fat n LYS 183 Ca 0.24 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 3fat n LYS 183 Cb 0.62 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3fat n LYS 183 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fat n GLY 184 N -1.19 0.75 1.04 0.72 0.00 -1.26 -4.94 105.19 100.31 3fat n GLY 184 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3fat n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fat n LYS 185 N -2.30 2.34 -4.12 1.61 4.76 -0.47 -4.85 118.16 115.13 3fat n LYS 185 Ca 0.00 -2.04 -0.17 0.00 -2.87 0.00 0.00 58.31 53.23 3fat n LYS 185 Cb 0.00 -1.48 -0.15 0.00 -1.84 0.00 0.00 35.03 31.55 3fat n LYS 185 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3fat s PHE 186 N -1.49 0.50 0.09 2.13 5.36 -1.26 -0.86 117.98 122.46 3fat s PHE 186 Ca 0.38 -0.10 0.09 0.00 -0.96 0.00 0.00 56.93 56.34 3fat s PHE 186 Cb 0.21 -0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.46 3fat s PHE 186 CO 0.30 -0.07 -0.23 0.00 -1.46 0.00 0.00 175.22 173.76 3fat s ALA 187 N 0.31 2.01 -0.07 11.12 0.00 -0.20 -4.50 121.76 130.43 3fat s ALA 187 Ca -0.03 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.71 3fat s ALA 187 Cb -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3fat s ALA 187 CO -0.00 0.44 -0.22 0.12 0.00 0.00 0.00 175.76 176.10 3fat s PHE 188 N -1.00 2.22 -0.41 0.00 5.36 -0.50 -2.67 117.98 120.99 3fat s PHE 188 Ca 0.09 -0.76 -0.15 0.00 -0.96 0.00 0.00 56.93 55.15 3fat s PHE 188 Cb -0.10 -1.48 0.02 0.00 -0.34 0.00 0.00 43.02 41.12 3fat s PHE 188 CO 0.04 -0.28 0.32 -0.51 -1.46 0.00 0.00 175.22 173.33 3fat s LEU 189 N 0.13 5.05 0.23 6.12 1.43 -0.33 -0.93 118.68 130.37 3fat s LEU 189 Ca -0.10 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.12 3fat s LEU 189 Cb -0.15 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 3fat s LEU 189 CO 0.05 -0.46 0.27 -1.48 0.23 0.00 0.00 176.35 174.96 3fat s LEU 190 N 1.74 0.92 0.46 1.79 0.05 -0.88 -4.34 118.68 118.42 3fat s LEU 190 Ca 0.06 -1.28 -0.23 0.00 0.05 0.00 0.00 54.13 52.74 3fat s LEU 190 Cb -0.19 0.88 -0.07 0.00 -2.05 0.00 0.00 46.19 44.76 3fat s LEU 190 CO 0.10 -0.97 1.17 -1.61 -0.55 0.00 0.00 176.35 174.49 3fat s GLU 191 N -4.01 3.75 0.37 1.48 2.02 -1.26 -0.23 118.70 120.81 3fat s GLU 191 Ca 0.34 1.78 0.06 0.00 0.02 0.00 0.00 54.97 57.17 3fat s GLU 191 Cb 0.04 -2.41 0.76 0.00 0.10 0.00 0.00 34.13 32.62 3fat s GLU 191 CO 0.12 -0.56 1.98 0.66 0.02 0.00 0.00 175.26 177.48 3fat h SER 192 N 2.04 0.64 -0.39 -0.19 4.64 -1.08 -1.99 113.55 117.21 3fat h SER 192 Ca -0.49 -0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.90 3fat h SER 192 Cb 1.25 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 3fat h SER 192 CO 0.60 0.42 0.01 0.71 -0.87 0.00 0.00 176.83 177.70 3fat h THR 193 N 0.73 0.71 -0.05 2.95 1.35 -1.90 0.14 112.91 116.84 3fat h THR 193 Ca 0.28 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 66.09 3fat h THR 193 Cb 0.20 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 67.20 3fat h THR 193 CO -0.09 0.02 -0.04 0.24 -0.25 0.00 0.00 175.52 175.40 3fat h MET 194 N 0.11 0.12 -0.45 4.72 2.86 -1.75 -2.80 114.93 117.75 3fat h MET 194 Ca 0.19 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 3fat h MET 194 Cb 0.27 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 3fat h MET 194 CO -0.32 0.54 0.01 -0.97 1.06 0.00 0.00 176.91 177.23 3fat h ASN 195 N -0.30 -0.17 -0.20 1.22 -0.73 -1.15 -1.18 115.58 113.07 3fat h ASN 195 Ca 0.01 0.10 -0.13 0.00 1.87 0.00 0.00 56.30 58.15 3fat h ASN 195 Cb 0.51 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 3fat h ASN 195 CO 0.01 -0.05 -0.34 -0.33 -0.37 0.00 0.00 177.43 176.35 3fat h GLU 196 N 0.12 0.71 -0.31 6.67 5.08 -1.04 -1.76 114.58 124.05 3fat h GLU 196 Ca 0.22 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3fat h GLU 196 Cb 0.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3fat h GLU 196 CO -0.36 0.95 0.16 -0.92 -1.00 0.00 0.00 179.01 177.83 3fat h TYR 197 N 0.60 0.44 -0.24 4.33 3.20 -1.17 -3.12 116.97 121.00 3fat h TYR 197 Ca 0.06 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3fat h TYR 197 Cb 0.87 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3fat h TYR 197 CO 0.04 0.38 -0.39 0.82 -1.64 0.00 0.00 178.16 177.38 3fat h ILE 198 N 0.37 1.30 -0.44 1.81 2.04 -1.09 -3.09 117.51 118.40 3fat h ILE 198 Ca 0.11 -1.54 0.02 0.00 1.00 0.00 0.00 64.86 64.45 3fat h ILE 198 Cb 0.10 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3fat h ILE 198 CO -0.01 0.49 0.30 -0.08 0.00 0.00 0.00 178.15 178.84 3fat h GLU 199 N 0.47 0.50 -0.39 2.37 4.81 -1.26 -2.65 114.58 118.43 3fat h GLU 199 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3fat h GLU 199 Cb 0.88 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3fat h GLU 199 CO 0.08 0.33 0.00 1.04 -0.73 0.00 0.00 179.01 179.73 3fat n GLN 200 N -4.48 1.99 -4.26 1.92 6.02 -1.17 -4.76 117.38 112.65 3fat n GLN 200 Ca 0.04 -1.53 -0.17 0.00 -0.01 0.00 0.00 57.00 55.33 3fat n GLN 200 Cb 0.12 -1.36 -0.11 0.00 1.02 0.00 0.00 30.24 29.91 3fat n GLN 200 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fat s ARG 201 N -1.49 1.09 0.36 -1.09 0.52 -1.00 -3.76 118.95 113.58 3fat s ARG 201 Ca 0.31 -1.35 -0.26 0.00 -0.52 0.00 0.00 55.73 53.91 3fat s ARG 201 Cb 0.16 -0.87 -0.12 0.00 0.52 0.00 0.00 34.95 34.64 3fat s ARG 201 CO 0.22 0.15 0.93 1.63 0.02 0.00 0.00 175.30 178.25 3fat n LYS 202 N 0.19 1.20 -0.30 3.54 4.76 -1.26 -1.19 118.16 125.10 3fat n LYS 202 Ca -0.13 0.43 0.04 0.00 -2.87 0.00 0.00 58.31 55.78 3fat n LYS 202 Cb 0.58 -1.86 0.17 0.00 -1.84 0.00 0.00 35.03 32.09 3fat n LYS 202 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3fat n PRO 203 N 0.46 2.33 -3.29 1.97 -0.04 -1.26 -4.98 135.00 130.19 3fat n PRO 203 Ca 0.10 -1.33 -0.22 0.00 -0.04 0.00 0.00 63.50 62.01 3fat n PRO 203 Cb 0.36 -1.59 0.06 0.00 -0.04 0.00 0.00 33.50 32.29 3fat n PRO 203 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fat n ASP 205 N -2.62 2.22 -4.49 0.00 5.75 -1.26 -4.99 116.55 111.15 3fat n ASP 205 Ca -0.05 -1.74 -0.24 0.00 -0.01 0.00 0.00 54.79 52.75 3fat n ASP 205 Cb 0.59 -0.09 -0.11 0.00 -1.03 0.00 0.00 41.12 40.48 3fat n ASP 205 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3fat s THR 206 N -0.85 1.76 0.06 2.12 -4.23 -1.26 -0.71 115.64 112.54 3fat s THR 206 Ca 0.12 -2.10 -0.23 0.00 -1.18 0.00 0.00 61.69 58.30 3fat s THR 206 Cb 0.07 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.31 3fat s THR 206 CO 0.09 -0.17 0.55 0.00 -0.54 0.00 0.00 174.62 174.56 3fat s MET 207 N -3.73 1.09 0.09 3.99 0.23 -0.82 -4.66 119.30 115.49 3fat s MET 207 Ca 0.32 -0.25 -0.25 0.00 -1.03 0.00 0.00 55.69 54.48 3fat s MET 207 Cb 0.06 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 33.79 3fat s MET 207 CO 0.15 -0.41 0.77 0.21 -2.03 0.00 0.00 175.02 173.71 3fat s LYS 208 N -2.64 4.52 -0.02 3.16 2.20 -1.26 -1.79 119.74 123.90 3fat s LYS 208 Ca -0.04 1.10 0.07 0.00 -0.36 0.00 0.00 55.97 56.73 3fat s LYS 208 Cb -0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3fat s LYS 208 CO -0.03 0.39 -0.22 0.14 -0.36 0.00 0.00 175.35 175.26 3fat s VAL 209 N -0.44 1.79 0.04 4.02 -7.23 -0.81 -4.99 120.40 112.77 3fat s VAL 209 Ca 0.38 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 3fat s VAL 209 Cb -0.21 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.24 3fat s VAL 209 CO 0.24 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 3fat n GLY 210 N 2.62 -2.14 2.64 2.32 0.00 -1.23 -4.30 105.19 105.11 3fat n GLY 210 Ca -0.16 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 3fat n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fat n GLY 211 N -1.16 -0.29 3.79 -0.02 0.00 -1.26 -4.94 105.19 101.31 3fat n GLY 211 Ca 0.00 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3fat n GLY 211 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fat s ASN 212 N -4.03 6.46 0.24 1.61 0.01 -1.26 -4.74 114.94 113.22 3fat s ASN 212 Ca 0.48 1.98 0.25 0.00 -0.71 0.00 0.00 52.86 54.86 3fat s ASN 212 Cb -0.02 -2.57 0.51 0.00 0.41 0.00 0.00 41.25 39.58 3fat s ASN 212 CO 0.33 -0.70 1.55 -0.07 -1.51 0.00 0.00 177.10 176.70 3fat h LEU 213 N 1.87 0.00 0.00 0.60 4.07 -0.70 -3.48 115.31 117.67 3fat h LEU 213 Ca -0.49 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.41 3fat h LEU 213 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3fat h LEU 213 CO 0.60 0.03 0.06 -0.90 -1.08 0.00 0.00 178.44 177.15 3fat n ASP 214 N -2.45 -0.46 -3.69 -0.43 5.75 -1.26 -4.92 116.55 109.09 3fat n ASP 214 Ca 0.04 -1.31 -0.14 0.00 -0.01 0.00 0.00 54.79 53.37 3fat n ASP 214 Cb 0.47 0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 41.18 3fat n ASP 214 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3fat s SER 215 N -1.43 0.23 0.00 -1.12 0.15 -1.26 -4.14 113.70 106.12 3fat s SER 215 Ca 0.03 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.19 3fat s SER 215 Cb -0.01 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3fat s SER 215 CO 0.02 -0.21 0.00 2.29 1.20 0.00 0.00 173.24 176.54 3fat n LYS 216 N 4.95 0.00 -3.94 5.44 0.00 0.35 -5.00 118.16 119.96 3fat n LYS 216 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.10 3fat n LYS 216 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.46 3fat n LYS 216 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3fat s GLY 217 N -0.44 0.29 0.12 2.58 0.00 -1.26 -1.05 107.32 107.55 3fat s GLY 217 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 3fat s GLY 217 CO 0.00 -0.95 0.43 -0.19 0.00 0.00 0.00 173.10 172.39 3fat s TYR 218 N -3.90 3.54 0.05 1.90 2.02 -0.68 -1.21 117.35 119.08 3fat s TYR 218 Ca 0.09 0.78 0.01 0.00 -0.37 0.00 0.00 57.07 57.57 3fat s TYR 218 Cb 0.05 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3fat s TYR 218 CO -0.08 0.46 -0.05 0.20 -1.57 0.00 0.00 175.55 174.51 3fat s GLY 219 N -1.96 0.51 0.12 0.71 0.00 -0.96 -0.99 107.32 104.75 3fat s GLY 219 Ca 0.37 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 3fat s GLY 219 CO 0.20 -1.06 0.99 0.14 0.00 0.00 0.00 173.10 173.37 3fat s VAL 220 N -2.56 4.38 -0.00 1.40 1.01 -1.26 -4.62 120.40 118.75 3fat s VAL 220 Ca -0.02 1.98 0.05 0.00 0.00 0.00 0.00 61.98 63.99 3fat s VAL 220 Cb -0.02 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3fat s VAL 220 CO -0.04 0.31 -0.14 0.00 0.00 0.00 0.00 175.10 175.23 3fat s ALA 221 N -0.02 2.74 0.09 5.51 0.00 -0.75 -0.36 121.76 128.97 3fat s ALA 221 Ca 0.48 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3fat s ALA 221 Cb -0.25 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3fat s ALA 221 CO 0.31 0.58 -0.10 0.95 0.00 0.00 0.00 175.76 177.50 3fat s THR 222 N -0.88 0.88 0.58 0.00 -4.23 0.02 -0.79 115.64 111.22 3fat s THR 222 Ca 0.14 -1.55 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 3fat s THR 222 Cb -0.11 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 3fat s THR 222 CO 0.04 -0.52 1.13 -2.84 -0.54 0.00 0.00 174.62 171.89 3fat s PRO 223 N -2.59 3.16 0.24 3.99 0.02 -1.26 -0.85 135.00 137.71 3fat s PRO 223 Ca 0.03 1.58 -0.31 0.00 0.02 0.00 0.00 61.00 62.33 3fat s PRO 223 Cb -0.04 -1.98 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 3fat s PRO 223 CO -0.00 -1.00 1.18 1.63 -0.33 0.00 0.00 177.00 178.48 3fat n LYS 224 N -1.63 1.48 -0.90 5.54 4.76 -1.26 -2.14 118.16 124.02 3fat n LYS 224 Ca 0.12 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 3fat n LYS 224 Cb 0.51 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 3fat n LYS 224 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fat n GLY 225 N 1.72 0.87 3.77 0.72 0.00 -1.26 -5.01 105.19 105.99 3fat n GLY 225 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3fat n GLY 225 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fat s SER 226 N -2.80 6.74 0.00 1.61 0.15 -0.91 -4.90 113.70 113.60 3fat s SER 226 Ca 0.00 2.69 0.21 0.00 0.70 0.00 0.00 55.95 59.55 3fat s SER 226 Cb 0.00 -2.65 0.90 0.00 -1.71 0.00 0.00 66.02 62.57 3fat s SER 226 CO 0.00 -0.57 1.66 -1.54 1.20 0.00 0.00 173.24 173.99 3fat n SER 227 N 1.05 0.00 -0.02 5.45 3.41 -1.26 -2.69 113.62 119.56 3fat n SER 227 Ca 0.01 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 3fat n SER 227 Cb 0.42 -0.48 0.43 0.00 -0.26 0.00 0.00 64.21 64.32 3fat n SER 227 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fat n LEU 228 N -1.48 0.32 0.14 1.04 4.77 -1.26 -4.44 117.00 116.10 3fat n LEU 228 Ca 0.06 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 3fat n LEU 228 Cb 0.23 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3fat n LEU 228 CO 0.19 0.08 0.65 -0.09 -1.33 0.00 0.00 177.39 176.89 3fat h ARG 229 N 0.10 -0.56 -0.12 3.23 2.43 -1.88 -0.88 114.38 116.70 3fat h ARG 229 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3fat h ARG 229 Cb 0.48 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3fat h ARG 229 CO 0.00 -0.37 -0.20 1.15 -1.51 0.00 0.00 179.97 179.04 3fat h THR 230 N -0.58 1.37 -0.96 0.20 2.02 -1.84 -1.62 112.91 111.51 3fat h THR 230 Ca 0.02 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 65.80 3fat h THR 230 Cb 0.58 2.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 3fat h THR 230 CO -0.15 0.42 0.63 -0.65 0.37 0.00 0.00 175.52 176.14 3fat h PRO 231 N -0.06 1.13 -0.33 6.66 0.11 -1.80 -0.13 132.00 137.57 3fat h PRO 231 Ca 0.01 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3fat h PRO 231 Cb 0.77 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3fat h PRO 231 CO 0.05 0.75 0.15 0.28 -0.21 0.00 0.00 178.00 179.01 3fat h VAL 232 N 1.16 1.17 -0.45 3.15 2.07 -1.06 -0.03 116.25 122.26 3fat h VAL 232 Ca 0.40 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3fat h VAL 232 Cb 0.09 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3fat h VAL 232 CO -0.14 0.18 0.27 -1.13 0.02 0.00 0.00 177.57 176.78 3fat h ASN 233 N 0.39 0.45 -0.11 0.57 -1.24 -0.58 -1.44 115.58 113.62 3fat h ASN 233 Ca 0.11 -0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 3fat h ASN 233 Cb 0.15 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3fat h ASN 233 CO -0.01 0.32 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.14 3fat h LEU 234 N 0.55 0.56 -0.57 0.34 3.38 -0.94 -2.55 115.31 116.08 3fat h LEU 234 Ca 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3fat h LEU 234 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3fat h LEU 234 CO -0.07 0.80 0.22 0.00 0.09 0.00 0.00 178.44 179.48 3fat h ALA 235 N 1.25 0.75 -0.37 1.53 0.00 -0.56 -0.26 119.26 121.61 3fat h ALA 235 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fat h ALA 235 Cb 0.69 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3fat h ALA 235 CO 0.05 0.37 0.13 0.28 0.00 0.00 0.00 179.25 180.08 3fat h VAL 236 N 0.79 1.20 -0.59 0.00 2.07 -1.15 -0.43 116.25 118.15 3fat h VAL 236 Ca 0.19 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3fat h VAL 236 Cb 0.22 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3fat h VAL 236 CO -0.01 0.23 0.27 -0.07 0.02 0.00 0.00 177.57 178.00 3fat h LEU 237 N 0.44 0.78 -0.28 2.57 3.38 -1.34 -1.10 115.31 119.77 3fat h LEU 237 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fat h LEU 237 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3fat h LEU 237 CO -0.01 0.71 0.18 0.50 0.09 0.00 0.00 178.44 179.91 3fat h LYS 238 N 0.80 0.36 -0.64 1.13 3.64 -0.84 -0.98 116.57 120.04 3fat h LYS 238 Ca 0.20 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3fat h LYS 238 Cb 0.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3fat h LYS 238 CO -0.02 0.24 0.21 -0.07 -2.27 0.00 0.00 179.45 177.54 3fat h LEU 239 N 0.37 0.90 -0.09 5.20 3.38 -0.92 -0.55 115.31 123.61 3fat h LEU 239 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3fat h LEU 239 Cb -0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3fat h LEU 239 CO -0.02 0.84 0.04 -1.28 0.09 0.00 0.00 178.44 178.10 3fat h SER 240 N 0.94 0.11 1.30 -0.43 0.87 -0.94 -1.15 113.55 114.26 3fat h SER 240 Ca 0.21 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3fat h SER 240 Cb 0.25 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3fat h SER 240 CO -0.01 0.22 0.00 -0.33 -0.53 0.00 0.00 176.83 176.18 3fat h GLU 241 N -0.00 0.00 -0.01 2.24 5.08 -0.89 -2.27 114.58 118.73 3fat h GLU 241 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fat h GLU 241 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fat h GLU 241 CO -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 179.01 177.78 3fat n ALA 242 N -1.97 3.02 -0.85 3.43 0.00 -0.24 -4.94 120.51 118.97 3fat n ALA 242 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3fat n ALA 242 Cb 0.37 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3fat n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fat n GLY 243 N 1.33 0.69 0.24 0.00 0.00 -0.85 -4.94 105.19 101.66 3fat n GLY 243 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3fat n GLY 243 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fat h VAL 244 N 0.00 1.29 -0.52 1.61 2.07 -1.43 -2.29 116.25 116.97 3fat h VAL 244 Ca 0.00 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 3fat h VAL 244 Cb 0.00 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3fat h VAL 244 CO 0.00 0.52 -0.01 -0.07 0.02 0.00 0.00 177.57 178.03 3fat h LEU 245 N 0.60 0.86 -0.49 2.57 3.38 -1.81 -1.16 115.31 119.25 3fat h LEU 245 Ca 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3fat h LEU 245 Cb 0.97 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3fat h LEU 245 CO 0.09 0.93 0.31 0.44 0.09 0.00 0.00 178.44 180.30 3fat h ASP 246 N 0.82 0.58 -0.73 -0.43 3.32 -1.84 -1.20 116.42 116.94 3fat h ASP 246 Ca 0.15 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3fat h ASP 246 Cb 0.50 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3fat h ASP 246 CO 0.03 0.45 0.41 0.11 -1.72 0.00 0.00 179.24 178.51 3fat h LYS 247 N 0.66 1.02 -0.38 3.56 1.57 -1.00 -0.78 116.57 121.23 3fat h LYS 247 Ca 0.18 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 3fat h LYS 247 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3fat h LYS 247 CO -0.04 0.76 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.22 3fat h LEU 248 N 1.01 0.88 -0.08 2.94 3.38 -1.04 -0.11 115.31 122.28 3fat h LEU 248 Ca 0.26 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3fat h LEU 248 Cb 0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3fat h LEU 248 CO -0.04 1.12 0.04 0.50 0.09 0.00 0.00 178.44 180.15 3fat h LYS 249 N 0.71 0.12 -0.77 1.13 1.63 -0.98 -1.83 116.57 116.57 3fat h LYS 249 Ca 0.08 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3fat h LYS 249 Cb 0.87 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.44 3fat h LYS 249 CO 0.08 0.18 0.41 -0.91 -3.45 0.00 0.00 179.45 175.76 3fat h ASN 250 N 0.02 0.96 -0.19 4.20 2.35 -1.02 -1.51 115.58 120.39 3fat h ASN 250 Ca 0.03 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3fat h ASN 250 Cb 0.10 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 3fat h ASN 250 CO -0.00 0.79 0.01 0.50 -1.65 0.00 0.00 177.43 177.07 3fat h LYS 251 N 1.06 0.07 0.00 0.81 3.64 -0.88 -2.23 116.57 119.04 3fat h LYS 251 Ca 0.27 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3fat h LYS 251 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3fat h LYS 251 CO -0.04 0.05 -0.76 0.91 -2.27 0.00 0.00 179.45 177.33 3fat n TRP 252 N -5.12 0.40 0.57 1.91 7.02 -0.70 -3.67 117.44 117.84 3fat n TRP 252 Ca -0.03 0.12 0.08 0.00 -1.02 0.00 0.00 57.50 56.65 3fat n TRP 252 Cb 0.10 -0.54 0.09 0.00 -2.42 0.00 0.00 31.31 28.54 3fat n TRP 252 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3fat n TRP 253 N -2.00 0.10 -1.66 -5.99 8.01 -0.59 -4.88 117.44 110.43 3fat n TRP 253 Ca 0.03 -0.07 -0.46 0.00 -1.31 0.00 0.00 57.50 55.69 3fat n TRP 253 Cb 0.43 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.69 3fat n TRP 253 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.69 177.66 3fat n TYR 254 N 0.95 2.11 -2.94 -5.99 9.36 -0.84 -4.90 117.16 114.91 3fat n TYR 254 Ca 0.11 0.40 -0.43 0.00 3.32 0.00 0.00 57.90 61.30 3fat n TYR 254 Cb 0.43 -2.47 -0.05 0.00 -0.63 0.00 0.00 39.34 36.62 3fat n TYR 254 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3fat s ASP 255 N 0.50 6.30 0.00 2.98 2.15 -1.26 -4.89 116.67 122.46 3fat s ASP 255 Ca 0.73 -0.53 0.30 0.00 0.43 0.00 0.00 52.55 53.48 3fat s ASP 255 Cb -0.69 -2.39 1.46 0.00 -0.30 0.00 0.00 42.92 41.00 3fat s ASP 255 CO 0.46 -1.11 1.98 0.29 -0.17 0.00 0.00 175.17 176.62 3fat n LYS 256 N 7.03 1.01 -0.72 4.34 5.02 -1.26 -4.91 118.16 128.68 3fat n LYS 256 Ca -0.01 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 3fat n LYS 256 Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3fat n LYS 256 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fat n GLY 257 N 1.15 0.94 0.32 0.72 0.00 -1.26 -4.97 105.19 102.10 3fat n GLY 257 Ca 0.19 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3fat n GLY 257 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fat h GLU 258 N 0.00 0.06 -0.19 1.61 5.08 -1.91 -1.63 114.58 117.60 3fat h GLU 258 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fat h GLU 258 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fat h GLU 258 CO 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.05