#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 1.97 -0.25 1.61 1.81 -1.26 -4.92 118.95 117.90 3fat s ARG 2 Ca 0.00 1.46 -0.29 0.00 -1.72 0.00 0.00 55.73 55.19 3fat s ARG 2 Cb 0.00 -1.84 0.01 0.00 -0.45 0.00 0.00 34.95 32.67 3fat s ARG 2 CO 0.00 -1.91 1.03 0.99 -0.68 0.00 0.00 175.30 174.73 3fat s THR 3 N -2.51 4.65 0.04 0.02 2.01 -1.26 -4.45 115.64 114.15 3fat s THR 3 Ca 0.67 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 64.27 3fat s THR 3 Cb -0.22 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 3fat s THR 3 CO 0.51 -0.25 1.07 -0.69 -0.69 0.00 0.00 174.62 174.57 3fat s VAL 4 N 3.28 4.46 -0.23 3.82 1.01 0.10 -4.79 120.40 128.06 3fat s VAL 4 Ca 0.43 1.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.97 3fat s VAL 4 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 3fat s VAL 4 CO 0.08 0.16 0.84 -0.69 0.00 0.00 0.00 175.10 175.50 3fat s VAL 5 N 0.86 4.84 -0.28 2.92 1.01 -1.26 -0.28 120.40 128.21 3fat s VAL 5 Ca 0.54 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 64.04 3fat s VAL 5 Cb -0.25 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 3fat s VAL 5 CO 0.29 -0.06 0.08 -0.69 0.00 0.00 0.00 175.10 174.72 3fat s VAL 6 N 2.75 4.12 0.15 2.92 1.01 -0.32 -0.86 120.40 130.16 3fat s VAL 6 Ca 0.36 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 3fat s VAL 6 Cb -0.15 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 3fat s VAL 6 CO 0.08 0.16 0.75 0.28 0.00 0.00 0.00 175.10 176.37 3fat s THR 7 N 1.55 4.43 0.15 3.92 -1.32 1.00 -0.52 115.64 124.84 3fat s THR 7 Ca 0.04 1.63 -0.04 0.00 -1.21 0.00 0.00 61.69 62.12 3fat s THR 7 Cb -0.16 -4.11 0.01 0.00 -1.51 0.00 0.00 72.50 66.73 3fat s THR 7 CO 0.03 0.53 0.26 1.07 -2.21 0.00 0.00 174.62 174.29 3fat n THR 8 N 1.64 0.00 -3.98 5.08 5.66 -1.02 -2.16 114.28 119.50 3fat n THR 8 Ca -0.06 -0.53 -0.11 0.00 -3.05 0.00 0.00 64.05 60.30 3fat n THR 8 Cb 0.49 0.41 -0.12 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.62 0.16 -0.47 1.09 2.07 -1.26 -0.68 121.20 119.49 3fat s ILE 9 Ca 0.09 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.37 3fat s ILE 9 Cb -0.01 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.34 3fat s ILE 9 CO 0.06 -0.33 1.35 -0.04 -1.91 0.00 0.00 174.94 174.08 3fat s MET 10 N -1.04 3.53 -0.28 3.50 -1.94 -1.26 -4.39 119.30 117.42 3fat s MET 10 Ca -0.10 0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 54.56 3fat s MET 10 Cb -0.07 -4.03 0.15 0.00 2.01 0.00 0.00 34.83 32.89 3fat s MET 10 CO -0.01 -1.63 0.57 -2.00 -0.01 0.00 0.00 175.02 171.95 3fat s GLU 11 N 4.99 0.52 0.21 2.03 2.56 -0.88 -4.99 118.70 123.14 3fat s GLU 11 Ca 0.56 1.11 -0.30 0.00 0.00 0.00 0.00 54.97 56.35 3fat s GLU 11 Cb -0.11 0.52 -0.08 0.00 2.00 0.00 0.00 34.13 36.46 3fat s GLU 11 CO 0.31 -0.44 0.93 -1.12 -0.56 0.00 0.00 175.26 174.38 3fat s SER 12 N 2.81 7.60 -0.41 -1.70 0.01 -1.26 -0.00 113.70 120.75 3fat s SER 12 Ca 0.08 1.90 0.05 0.00 1.31 0.00 0.00 55.95 59.29 3fat s SER 12 Cb -0.14 -2.60 0.67 0.00 0.21 0.00 0.00 66.02 64.16 3fat s SER 12 CO -0.19 0.12 1.87 -0.81 0.41 0.00 0.00 173.24 174.64 3fat n PRO 13 N 1.75 2.52 -0.01 12.44 -0.04 -1.26 -4.94 135.00 145.47 3fat n PRO 13 Ca -0.01 -2.94 -0.11 0.00 -0.04 0.00 0.00 63.50 60.40 3fat n PRO 13 Cb 0.48 -2.16 -0.09 0.00 -0.04 0.00 0.00 33.50 31.69 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 1.32 -0.08 -3.29 0.54 0.05 -0.76 -0.95 116.97 113.80 3fat h TYR 14 Ca 0.55 -0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.91 3fat h TYR 14 Cb 2.72 0.03 -0.38 0.00 1.01 0.00 0.00 36.73 40.11 3fat h TYR 14 CO 1.50 0.50 -0.76 0.08 -1.05 0.00 0.00 178.16 178.43 3fat s VAL 15 N -2.90 0.26 0.05 -2.88 1.01 -0.31 -1.23 120.40 114.38 3fat s VAL 15 Ca -0.14 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3fat s VAL 15 Cb -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3fat s VAL 15 CO 0.52 0.23 -0.05 -0.04 0.00 0.00 0.00 175.10 175.76 3fat s MET 16 N 1.91 0.52 0.24 2.72 -1.94 0.41 -2.07 119.30 121.09 3fat s MET 16 Ca 0.03 -0.90 -0.30 0.00 -1.71 0.00 0.00 55.69 52.81 3fat s MET 16 Cb -0.12 -0.02 -0.09 0.00 2.01 0.00 0.00 34.83 36.60 3fat s MET 16 CO -0.04 -0.03 1.18 0.71 -0.01 0.00 0.00 175.02 176.83 3fat s TYR 17 N -2.35 3.42 0.77 -0.03 2.02 -1.26 -0.76 117.35 119.16 3fat s TYR 17 Ca -0.05 1.51 -0.13 0.00 -0.37 0.00 0.00 57.07 58.04 3fat s TYR 17 Cb -0.03 -3.42 0.06 0.00 -0.40 0.00 0.00 41.96 38.17 3fat s TYR 17 CO -0.03 -1.09 1.15 0.15 -1.57 0.00 0.00 175.55 174.15 3fat s LYS 18 N -0.88 2.01 0.17 -0.62 1.02 -0.33 -4.81 119.74 116.30 3fat s LYS 18 Ca 0.49 1.52 -0.21 0.00 0.02 0.00 0.00 55.97 57.79 3fat s LYS 18 Cb -0.34 -1.84 0.08 0.00 -0.52 0.00 0.00 37.83 35.21 3fat s LYS 18 CO 0.41 -1.88 1.62 -0.22 -0.92 0.00 0.00 175.35 174.35 3fat h LYS 19 N -0.79 -0.19 -2.43 1.68 3.64 -1.96 -2.62 116.57 113.90 3fat h LYS 19 Ca -0.45 0.01 -0.70 0.00 -1.27 0.00 0.00 60.65 58.23 3fat h LYS 19 Cb 1.27 0.04 -0.35 0.00 -0.41 0.00 0.00 32.23 32.78 3fat h LYS 19 CO 0.49 -0.13 0.15 0.09 -2.27 0.00 0.00 179.45 177.79 3fat n ASN 20 N -5.40 5.49 0.21 4.20 3.02 -1.26 -4.86 115.26 116.66 3fat n ASN 20 Ca 0.02 -3.55 0.09 0.00 -0.03 0.00 0.00 54.58 51.11 3fat n ASN 20 Cb 0.31 -0.93 0.42 0.00 -0.61 0.00 0.00 39.78 38.98 3fat n ASN 20 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3fat h HIS 21 N 4.27 0.00 0.00 3.10 2.07 -1.77 -2.93 115.15 119.89 3fat h HIS 21 Ca 0.26 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.78 3fat h HIS 21 Cb 0.54 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.51 3fat h HIS 21 CO 0.97 0.26 -0.02 0.93 -3.07 0.00 0.00 177.93 177.00 3fat h GLU 22 N 0.00 0.00 -0.01 5.12 3.07 -1.89 -1.34 114.58 119.54 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 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3fat h GLU 22 CO 0.03 0.02 -0.01 -1.33 -1.40 0.00 0.00 179.01 176.32 3fat n MET 23 N -3.45 1.20 -4.35 2.33 2.81 -1.11 -4.87 117.12 109.68 3fat n MET 23 Ca -0.03 -0.38 -0.25 0.00 -1.81 0.00 0.00 57.70 55.23 3fat n MET 23 Cb 0.11 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.04 3fat n MET 23 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3fat s PHE 24 N -2.07 2.54 -0.02 2.03 0.08 -0.51 -5.10 117.98 114.93 3fat s PHE 24 Ca 0.42 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 57.22 3fat s PHE 24 Cb 0.21 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 3fat s PHE 24 CO 0.37 0.59 -0.04 -2.00 -0.10 0.00 0.00 175.22 174.04 3fat s GLU 25 N -3.23 2.68 4.78 0.44 -6.30 -1.26 -4.70 118.70 111.11 3fat s GLU 25 Ca 0.28 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 52.11 3fat s GLU 25 Cb -0.07 -2.58 0.00 0.00 0.00 0.00 0.00 34.13 31.48 3fat s GLU 25 CO 0.16 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.48 3fat n GLY 26 N 1.66 3.29 0.28 -1.50 0.00 -1.26 -1.97 105.19 105.70 3fat n GLY 26 Ca -0.16 0.04 0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.15 0.26 1.61 2.35 -1.93 -2.17 115.58 115.85 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 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3fat h ASN 27 CO 0.00 0.11 0.00 0.47 -1.65 0.00 0.00 177.43 176.36 3fat n ASP 28 N -4.52 0.00 0.17 5.81 8.00 -0.83 -1.91 116.55 123.27 3fat n ASP 28 Ca -0.01 0.15 0.13 0.00 0.71 0.00 0.00 54.79 55.77 3fat n ASP 28 Cb 0.09 -0.31 0.41 0.00 -0.02 0.00 0.00 41.12 41.30 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 -6.37 -1.24 1.57 -1.52 -3.45 116.57 105.55 3fat h LYS 29 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3fat h LYS 29 Cb 0.13 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.30 3fat h LYS 29 CO 0.00 0.00 -0.72 0.71 -0.57 0.00 0.00 179.45 178.87 3fat s TYR 30 N -3.28 2.59 0.13 -1.35 2.02 -0.80 -1.18 117.35 115.47 3fat s TYR 30 Ca 0.07 -0.24 -0.10 0.00 -0.37 0.00 0.00 57.07 56.42 3fat s TYR 30 Cb 0.09 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 3fat s TYR 30 CO 0.56 0.56 0.28 -1.83 -1.57 0.00 0.00 175.55 173.55 3fat s GLU 31 N -3.10 1.05 0.00 -0.62 -1.05 0.06 -4.79 118.70 110.25 3fat s GLU 31 Ca 0.27 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 3fat s GLU 31 Cb -0.08 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3fat s GLU 31 CO 0.16 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.40 3fat n GLY 32 N -0.17 1.84 0.15 -3.83 0.00 -1.26 -0.45 105.19 101.47 3fat n GLY 32 Ca -0.11 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 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 0.07 0.00 1.61 3.20 -0.71 -0.54 116.97 120.60 3fat h TYR 33 Ca 0.00 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3fat h TYR 33 Cb 0.00 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3fat h TYR 33 CO 0.00 -0.01 -0.54 0.00 -1.64 0.00 0.00 178.16 175.98 3fat h VAL 35 N 0.00 1.20 -0.58 0.00 2.07 -1.49 -0.30 116.25 117.16 3fat h VAL 35 Ca -0.01 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3fat h VAL 35 Cb 1.22 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3fat h VAL 35 CO 0.07 0.23 0.12 0.44 0.02 0.00 0.00 177.57 178.45 3fat h ASP 36 N 0.44 0.89 -0.35 0.57 3.32 -0.71 -2.51 116.42 118.07 3fat h ASP 36 Ca 0.12 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3fat h ASP 36 Cb 0.23 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3fat h ASP 36 CO -0.01 0.91 0.17 0.25 -1.72 0.00 0.00 179.24 178.85 3fat h LEU 37 N 0.84 0.45 -0.51 1.55 5.85 -0.62 -1.58 115.31 121.30 3fat h LEU 37 Ca 0.18 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3fat h LEU 37 Cb 0.38 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3fat h LEU 37 CO 0.01 0.44 0.19 0.00 -0.34 0.00 0.00 178.44 178.74 3fat h ALA 38 N 1.03 0.62 -0.25 1.25 0.00 -1.01 0.29 119.26 121.20 3fat h ALA 38 Ca 0.12 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3fat h ALA 38 Cb 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3fat h ALA 38 CO -0.02 -0.20 -0.02 0.77 0.00 0.00 0.00 179.25 179.79 3fat h SER 39 N 0.37 -0.13 -0.55 0.00 0.02 -1.18 0.19 113.55 112.27 3fat h SER 39 Ca 0.24 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 3fat h SER 39 Cb 0.25 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3fat h SER 39 CO -0.24 -0.04 0.20 -0.33 -1.14 0.00 0.00 176.83 175.28 3fat h GLU 40 N 0.05 0.83 -0.27 3.45 4.39 -0.71 -1.82 114.58 120.51 3fat h GLU 40 Ca 0.12 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3fat h GLU 40 Cb 0.16 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3fat h GLU 40 CO -0.21 0.74 0.02 0.82 -1.16 0.00 0.00 179.01 179.21 3fat h ILE 41 N 0.75 1.25 -0.79 3.13 2.04 -0.74 -2.42 117.51 120.73 3fat h ILE 41 Ca 0.18 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3fat h ILE 41 Cb 0.24 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3fat h ILE 41 CO -0.01 0.28 0.49 0.00 0.00 0.00 0.00 178.15 178.91 3fat h ALA 42 N 0.84 1.37 -0.63 1.87 0.00 -0.84 -0.61 119.26 121.27 3fat h ALA 42 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fat h ALA 42 Cb 0.39 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3fat h ALA 42 CO 0.01 0.55 0.27 -0.22 0.00 0.00 0.00 179.25 179.86 3fat h LYS 43 N 1.08 0.92 -0.22 0.00 3.64 -1.24 0.22 116.57 120.98 3fat h LYS 43 Ca 0.29 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3fat h LYS 43 Cb -0.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3fat h LYS 43 CO -0.06 0.76 -0.11 0.45 -2.27 0.00 0.00 179.45 178.23 3fat h HIS 44 N 0.87 0.53 -0.01 1.91 3.86 -0.77 -3.27 115.15 118.27 3fat h HIS 44 Ca 0.21 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3fat h HIS 44 Cb 0.17 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3fat h HIS 44 CO 0.01 0.74 -0.48 0.44 0.86 0.00 0.00 177.93 179.49 3fat n ILE 45 N -4.53 0.00 -2.35 2.45 -5.35 -0.34 -5.00 119.36 104.24 3fat n ILE 45 Ca -0.05 -0.10 -0.06 0.00 -0.27 0.00 0.00 62.75 62.27 3fat n ILE 45 Cb 0.33 0.62 0.03 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.42 0.11 3.31 3.28 0.00 0.72 -5.06 105.19 108.96 3fat n GLY 46 Ca 0.09 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.15 1.66 0.08 -0.61 -4.36 -0.90 -4.91 121.20 109.01 3fat s ILE 47 Ca 0.10 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 58.48 3fat s ILE 47 Cb -0.01 -1.80 -0.06 0.00 1.25 0.00 0.00 42.46 41.84 3fat s ILE 47 CO 0.29 -0.41 0.39 -0.54 0.24 0.00 0.00 174.94 174.92 3fat s LYS 48 N -2.95 3.74 0.07 0.37 1.02 -1.26 -4.74 119.74 116.00 3fat s LYS 48 Ca 0.15 0.14 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 3fat s LYS 48 Cb -0.04 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3fat s LYS 48 CO 0.06 0.55 0.19 1.52 -0.92 0.00 0.00 175.35 176.74 3fat s TYR 49 N -1.42 0.13 -0.10 3.18 -0.85 -1.26 0.03 117.35 117.05 3fat s TYR 49 Ca 0.34 -0.51 -0.00 0.00 -0.52 0.00 0.00 57.07 56.38 3fat s TYR 49 Cb -0.14 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.17 3fat s TYR 49 CO 0.19 -0.51 -0.08 0.21 -1.52 0.00 0.00 175.55 173.84 3fat s LYS 50 N -3.50 1.50 0.05 -3.49 2.20 0.62 -4.83 119.74 112.28 3fat s LYS 50 Ca 0.02 -0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 3fat s LYS 50 Cb 0.03 -1.52 -0.07 0.00 -1.51 0.00 0.00 37.83 34.76 3fat s LYS 50 CO -0.09 -0.23 1.42 0.42 -0.36 0.00 0.00 175.35 176.51 3fat s ILE 51 N 1.57 3.52 -0.16 5.43 1.01 -1.26 -1.18 121.20 130.13 3fat s ILE 51 Ca 0.02 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3fat s ILE 51 Cb -0.13 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.74 3fat s ILE 51 CO -0.06 0.02 -0.10 0.00 0.00 0.00 0.00 174.94 174.80 3fat s ALA 52 N 1.98 1.76 0.11 9.38 0.00 0.33 -4.86 121.76 130.45 3fat s ALA 52 Ca 0.65 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 3fat s ALA 52 Cb -0.34 -1.11 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 3fat s ALA 52 CO 0.28 -0.59 1.31 0.42 0.00 0.00 0.00 175.76 177.18 3fat s ILE 53 N 1.52 3.57 0.05 0.00 -1.09 -1.26 -2.43 121.20 121.56 3fat s ILE 53 Ca 0.02 1.15 -0.33 0.00 -2.23 0.00 0.00 60.65 59.26 3fat s ILE 53 Cb -0.14 -3.74 -0.12 0.00 -1.58 0.00 0.00 42.46 36.88 3fat s ILE 53 CO -0.09 0.10 1.77 0.55 -1.23 0.00 0.00 174.94 176.04 3fat n VAL 54 N 3.76 0.33 -0.36 2.92 3.14 0.15 -4.88 118.33 123.40 3fat n VAL 54 Ca 0.10 -0.06 -0.01 0.00 -2.96 0.00 0.00 64.34 61.41 3fat n VAL 54 Cb 0.44 -1.82 0.13 0.00 -1.06 0.00 0.00 33.84 31.52 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 7.94 1.20 -0.01 1.45 0.11 -1.91 -2.37 132.00 138.41 3fat h PRO 55 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3fat h PRO 55 Cb 1.25 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3fat h PRO 55 CO 0.93 0.79 -0.05 -0.40 -0.21 0.00 0.00 178.00 179.06 3fat n ASP 56 N -4.46 0.72 -0.60 -2.05 5.68 -1.26 -4.93 116.55 109.65 3fat n ASP 56 Ca 0.12 -1.04 -0.08 0.00 -0.50 0.00 0.00 54.79 53.30 3fat n ASP 56 Cb 0.08 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.01 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 1.16 0.93 3.78 6.12 0.00 -0.89 -4.98 105.19 111.32 3fat n GLY 57 Ca 0.19 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.37 2.76 -0.12 1.61 1.02 -1.26 -4.92 119.74 116.47 3fat s LYS 58 Ca 0.00 -1.16 -0.12 0.00 0.02 0.00 0.00 55.97 54.71 3fat s LYS 58 Cb 0.00 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 3fat s LYS 58 CO 0.00 0.37 0.30 1.88 -0.92 0.00 0.00 175.35 176.97 3fat h TYR 59 N 1.56 0.00 0.00 3.18 -1.99 -1.90 -2.58 116.97 115.24 3fat h TYR 59 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 3fat h TYR 59 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 3fat h TYR 59 CO 0.58 0.41 0.00 0.41 -0.00 0.00 0.00 178.16 179.56 3fat n GLY 60 N 1.70 2.91 3.64 3.88 0.00 -1.25 -1.52 105.19 114.56 3fat n GLY 60 Ca -0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.13 0.01 4.61 0.00 -1.26 -4.65 121.76 120.61 3fat s ALA 61 Ca 0.00 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 3fat s ALA 61 Cb 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 23.12 23.98 3fat s ALA 61 CO 0.00 -0.88 0.57 1.03 0.00 0.00 0.00 175.76 176.48 3fat s ARG 62 N -2.55 4.26 0.23 0.00 3.00 -1.26 -0.69 118.95 121.94 3fat s ARG 62 Ca 0.24 0.70 -0.31 0.00 0.00 0.00 0.00 55.73 56.36 3fat s ARG 62 Cb -0.03 -3.31 -0.11 0.00 0.00 0.00 0.00 34.95 31.50 3fat s ARG 62 CO 0.17 0.45 1.65 0.34 0.00 0.00 0.00 175.30 177.92 3fat s ASP 63 N -0.47 6.42 0.42 0.23 2.15 0.34 -4.84 116.67 120.92 3fat s ASP 63 Ca 0.30 2.84 0.08 0.00 0.43 0.00 0.00 52.55 56.20 3fat s ASP 63 Cb -0.18 -2.61 0.89 0.00 -0.30 0.00 0.00 42.92 40.72 3fat s ASP 63 CO 0.17 -0.92 2.06 0.00 -0.17 0.00 0.00 175.17 176.31 3fat h ALA 64 N 6.19 1.72 0.09 3.66 0.00 -1.95 0.46 119.26 129.42 3fat h ALA 64 Ca -0.44 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 3fat h ALA 64 Cb 1.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3fat h ALA 64 CO 0.90 0.25 -1.90 -0.25 0.00 0.00 0.00 179.25 178.25 3fat n ASP 65 N -4.47 1.73 -0.03 0.00 8.00 -1.26 -4.48 116.55 116.04 3fat n ASP 65 Ca 0.02 0.28 0.05 0.00 0.71 0.00 0.00 54.79 55.85 3fat n ASP 65 Cb 0.07 -0.61 -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 -3.34 0.28 -0.95 -3.53 -2.24 -1.20 -4.99 114.28 98.31 3fat n THR 66 Ca -0.27 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3fat n THR 66 Cb 1.05 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.25 -0.29 -2.38 -0.78 4.76 0.16 -4.96 118.16 112.41 3fat n LYS 67 Ca -0.09 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 3fat n LYS 67 Cb 0.61 -3.29 -0.03 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 -2.36 3.55 0.19 -0.18 1.01 -1.26 -4.43 121.20 117.72 3fat s ILE 68 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 3fat s ILE 68 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 3fat s ILE 68 CO 0.00 0.23 1.31 0.26 0.00 0.00 0.00 174.94 176.73 3fat s TRP 69 N -0.20 3.26 0.17 3.97 0.52 -1.26 -0.50 118.94 124.90 3fat s TRP 69 Ca 0.52 1.22 0.02 0.00 0.02 0.00 0.00 56.10 57.88 3fat s TRP 69 Cb -0.33 -3.60 0.02 0.00 -1.15 0.00 0.00 33.47 28.41 3fat s TRP 69 CO 0.37 -1.87 0.14 0.27 0.02 0.00 0.00 176.95 175.89 3fat n ASN 70 N 2.68 1.38 0.00 2.95 0.23 0.13 -4.36 115.26 118.28 3fat n ASN 70 Ca 0.06 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 3fat n ASN 70 Cb 0.43 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 2.99 0.89 0.29 4.83 0.00 -1.26 -1.50 105.19 111.44 3fat n GLY 71 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 0.84 -0.35 1.61 2.86 -0.85 -2.31 114.93 116.73 3fat h MET 72 Ca 0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3fat h MET 72 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3fat h MET 72 CO 0.00 0.82 0.23 0.28 1.06 0.00 0.00 176.91 179.29 3fat h VAL 73 N 0.79 1.10 -0.90 -2.22 2.07 -1.57 -2.10 116.25 113.41 3fat h VAL 73 Ca 0.16 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3fat h VAL 73 Cb 0.42 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3fat h VAL 73 CO 0.01 0.09 0.56 1.23 0.02 0.00 0.00 177.57 179.49 3fat h GLY 74 N 0.47 1.39 0.88 2.17 0.00 -0.98 -0.44 103.07 106.56 3fat h GLY 74 Ca 0.13 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.11 3fat h GLY 74 CO -0.03 0.23 0.61 0.83 0.00 0.00 0.00 176.54 178.19 3fat h GLU 75 N 0.98 1.09 -0.08 4.80 4.39 -0.84 -1.60 114.58 123.33 3fat h GLU 75 Ca 0.41 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.93 3fat h GLU 75 Cb 0.26 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3fat h GLU 75 CO -0.20 0.72 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.90 3fat h LEU 76 N 1.12 0.49 -0.93 1.33 3.38 -0.94 -0.03 115.31 119.73 3fat h LEU 76 Ca 0.39 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3fat h LEU 76 Cb 0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3fat h LEU 76 CO -0.14 1.06 0.36 0.58 0.09 0.00 0.00 178.44 180.39 3fat h VAL 77 N -0.06 1.25 -0.09 1.22 2.07 -0.77 -3.17 116.25 116.69 3fat h VAL 77 Ca -0.03 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3fat h VAL 77 Cb 1.06 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3fat h VAL 77 CO 0.08 0.30 0.00 -1.22 0.02 0.00 0.00 177.57 176.75 3fat n TYR 78 N -4.31 0.09 0.00 1.57 4.01 -0.63 -4.95 117.16 112.94 3fat n TYR 78 Ca 0.07 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3fat n TYR 78 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.34 0.72 0.08 2.72 0.00 -1.17 -4.99 105.19 103.90 3fat n GLY 79 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3fat n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fat h LYS 80 N 3.85 0.00 -3.85 1.61 1.57 -1.29 -3.46 116.57 115.00 3fat h LYS 80 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3fat h LYS 80 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 3fat h LYS 80 CO 0.00 0.00 -0.47 0.00 -0.57 0.00 0.00 179.45 178.41 3fat s ALA 81 N -3.14 -0.07 -0.02 3.86 0.00 -0.83 -4.96 121.76 116.59 3fat s ALA 81 Ca 0.08 -0.65 0.14 0.00 0.00 0.00 0.00 51.96 51.52 3fat s ALA 81 Cb 0.13 0.35 -0.21 0.00 0.00 0.00 0.00 23.12 23.38 3fat s ALA 81 CO 0.67 -0.41 0.29 0.39 0.00 0.00 0.00 175.76 176.70 3fat n GLU 82 N 0.31 0.50 -3.76 0.00 1.02 -0.04 -4.44 120.64 114.23 3fat n GLU 82 Ca -0.17 -0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 56.72 3fat n GLU 82 Cb 0.61 -1.33 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.93 0.01 -0.18 -3.67 1.01 -1.05 -4.25 121.20 110.14 3fat s ILE 83 Ca -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 3fat s ILE 83 Cb 0.09 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3fat s ILE 83 CO 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 174.94 175.44 3fat s ALA 84 N -0.11 2.96 -0.32 9.38 0.00 -0.00 -0.00 121.76 133.66 3fat s ALA 84 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3fat s ALA 84 Cb -0.03 -1.64 0.10 0.00 0.00 0.00 0.00 23.12 21.55 3fat s ALA 84 CO 0.01 -0.02 0.07 0.42 0.00 0.00 0.00 175.76 176.24 3fat s ILE 85 N 0.78 1.52 0.15 0.00 1.01 -0.92 -1.90 121.20 121.85 3fat s ILE 85 Ca -0.01 -1.79 -0.25 0.00 0.00 0.00 0.00 60.65 58.60 3fat s ILE 85 Cb -0.14 -2.11 0.06 0.00 0.01 0.00 0.00 42.46 40.28 3fat s ILE 85 CO 0.02 -0.60 0.97 0.00 0.00 0.00 0.00 174.94 175.33 3fat s ALA 86 N 1.29 -1.66 -1.24 9.38 0.00 -1.26 -4.65 121.76 123.62 3fat s ALA 86 Ca 0.09 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 3fat s ALA 86 Cb -0.18 0.64 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 3fat s ALA 86 CO -0.16 -1.05 2.36 -0.35 0.00 0.00 0.00 175.76 176.55 3fat n PRO 87 N -0.48 2.64 -3.51 0.00 -0.04 -1.26 -4.71 135.00 127.65 3fat n PRO 87 Ca -0.06 -2.04 -0.39 0.00 -0.04 0.00 0.00 63.50 60.96 3fat n PRO 87 Cb 0.61 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 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 0.86 4.28 0.15 1.53 2.96 -1.26 -5.03 118.68 122.16 3fat s LEU 88 Ca 0.54 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 3fat s LEU 88 Cb 0.14 -2.21 -0.07 0.00 0.50 0.00 0.00 46.19 44.55 3fat s LEU 88 CO -0.03 -0.19 1.14 -0.89 -1.32 0.00 0.00 176.35 175.06 3fat s THR 89 N 1.84 3.88 -0.36 3.68 2.01 -1.26 -2.52 115.64 122.90 3fat s THR 89 Ca 0.09 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.34 3fat s THR 89 Cb -0.17 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.37 3fat s THR 89 CO 0.11 0.23 1.34 -0.63 -0.69 0.00 0.00 174.62 174.98 3fat s ILE 90 N 0.11 4.03 0.14 1.82 1.01 -0.29 -4.90 121.20 123.12 3fat s ILE 90 Ca 0.52 1.11 0.05 0.00 0.00 0.00 0.00 60.65 62.33 3fat s ILE 90 Cb -0.30 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 3fat s ILE 90 CO 0.34 -0.64 -0.11 0.42 0.00 0.00 0.00 174.94 174.95 3fat s THR 91 N 4.87 1.17 0.12 2.92 -4.23 -1.26 -4.75 115.64 114.48 3fat s THR 91 Ca 0.58 -1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 3fat s THR 91 Cb -0.15 -1.73 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 3fat s THR 91 CO 0.28 -0.67 1.76 0.25 -0.54 0.00 0.00 174.62 175.70 3fat h LEU 92 N 2.99 0.11 -1.59 4.79 5.85 -1.98 0.31 115.31 125.80 3fat h LEU 92 Ca -0.37 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3fat h LEU 92 Cb 1.19 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3fat h LEU 92 CO 0.60 0.09 0.08 1.62 -0.34 0.00 0.00 178.44 180.49 3fat h VAL 93 N 0.16 1.11 0.22 1.05 3.04 -2.00 -1.83 116.25 118.01 3fat h VAL 93 Ca 0.06 -0.37 -0.30 0.00 -1.01 0.00 0.00 66.70 65.08 3fat h VAL 93 Cb 0.01 0.83 0.03 0.00 -2.01 0.00 0.00 31.29 30.16 3fat h VAL 93 CO -0.04 0.14 -1.31 0.03 -1.01 0.00 0.00 177.57 175.37 3fat h ARG 94 N 0.35 0.50 0.00 4.17 3.08 -1.89 -3.28 114.38 117.31 3fat h ARG 94 Ca 0.09 -0.83 -0.00 0.00 0.07 0.00 0.00 59.98 59.31 3fat h ARG 94 Cb 0.11 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3fat h ARG 94 CO -0.01 1.40 -0.00 1.49 -1.07 0.00 0.00 179.97 181.78 3fat h GLU 95 N 0.04 0.00 0.00 0.04 4.57 -0.34 -0.16 114.58 118.73 3fat h GLU 95 Ca -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 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 -1.42 -3.35 114.58 116.81 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 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3fat h GLU 96 CO 0.00 0.00 -1.01 1.33 -1.00 0.00 0.00 179.01 178.33 3fat n VAL 97 N -3.01 0.00 -4.25 3.13 0.24 -0.23 -5.06 118.33 109.16 3fat n VAL 97 Ca 0.02 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 3fat n VAL 97 Cb 0.39 0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 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 -2.03 0.40 -0.14 1.34 -5.25 -0.31 -4.42 121.20 110.79 3fat s ILE 98 Ca -0.00 -1.98 -0.06 0.00 -0.99 0.00 0.00 60.65 57.62 3fat s ILE 98 Cb 0.01 -2.41 -0.04 0.00 2.95 0.00 0.00 42.46 42.97 3fat s ILE 98 CO 0.04 -0.17 0.07 -1.81 -1.79 0.00 0.00 174.94 171.27 3fat s ASP 99 N -3.21 5.74 -0.01 4.36 1.01 -0.30 -4.20 116.67 120.06 3fat s ASP 99 Ca 0.33 0.21 -0.00 0.00 0.71 0.00 0.00 52.55 53.80 3fat s ASP 99 Cb 0.07 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.11 3fat s ASP 99 CO 0.09 0.30 0.06 -0.36 0.21 0.00 0.00 175.17 175.47 3fat s PHE 100 N -0.38 3.24 1.01 4.23 0.08 -1.26 -0.93 117.98 123.96 3fat s PHE 100 Ca 0.09 0.18 -0.13 0.00 0.12 0.00 0.00 56.93 57.19 3fat s PHE 100 Cb -0.12 -1.73 0.19 0.00 -0.57 0.00 0.00 43.02 40.80 3fat s PHE 100 CO 0.02 0.53 1.11 -1.54 -0.10 0.00 0.00 175.22 175.23 3fat s SER 101 N -1.64 2.55 0.72 1.36 1.04 0.63 -4.95 113.70 113.41 3fat s SER 101 Ca 0.21 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 57.54 3fat s SER 101 Cb -0.12 -1.66 0.01 0.00 0.10 0.00 0.00 66.02 64.36 3fat s SER 101 CO 0.12 -3.16 1.04 0.29 0.98 0.00 0.00 173.24 172.51 3fat n LYS 102 N -4.18 0.55 -1.95 4.02 4.76 -1.26 -4.56 118.16 115.55 3fat n LYS 102 Ca 0.06 0.25 -0.40 0.00 -2.87 0.00 0.00 58.31 55.34 3fat n LYS 102 Cb 0.58 -2.29 -0.01 0.00 -1.84 0.00 0.00 35.03 31.48 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 -3.42 4.10 -0.01 1.97 0.04 -1.26 -4.58 135.00 131.84 3fat s PRO 103 Ca 0.75 2.36 0.19 0.00 0.04 0.00 0.00 61.00 64.34 3fat s PRO 103 Cb -0.34 -2.91 -0.23 0.00 0.04 0.00 0.00 34.50 31.05 3fat s PRO 103 CO 0.49 -0.46 0.74 1.97 0.04 0.00 0.00 177.00 179.78 3fat n PHE 104 N 0.40 0.00 -3.69 0.56 1.16 0.06 -4.98 117.46 110.98 3fat n PHE 104 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.46 3fat n PHE 104 Cb 0.41 -0.09 -0.08 0.00 -1.61 0.00 0.00 39.48 38.11 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 -2.93 0.70 0.06 3.97 0.00 -1.25 -4.97 119.30 114.87 3fat s MET 105 Ca 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 55.69 56.06 3fat s MET 105 Cb 0.14 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.26 3fat s MET 105 CO 0.80 -0.15 0.25 -1.12 0.00 0.00 0.00 175.02 174.79 3fat s SER 106 N -0.48 6.41 0.28 1.11 0.01 -1.26 -1.57 113.70 118.18 3fat s SER 106 Ca -0.06 0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.38 3fat s SER 106 Cb -0.03 -2.01 0.03 0.00 0.21 0.00 0.00 66.02 64.22 3fat s SER 106 CO 0.04 0.18 0.77 -1.48 0.41 0.00 0.00 173.24 173.15 3fat s LEU 107 N -2.32 -0.20 0.09 2.44 -0.00 -0.78 -4.87 118.68 113.04 3fat s LEU 107 Ca 0.34 -0.67 -0.08 0.00 -0.00 0.00 0.00 54.13 53.72 3fat s LEU 107 Cb -0.13 2.66 -0.01 0.00 -0.00 0.00 0.00 46.19 48.71 3fat s LEU 107 CO 0.24 -1.33 0.17 -0.83 -0.00 0.00 0.00 176.35 174.60 3fat s GLY 108 N -2.96 0.13 0.34 -3.48 0.00 -1.26 -1.24 107.32 98.85 3fat s GLY 108 Ca 0.12 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.88 3fat s GLY 108 CO 0.07 -0.85 1.38 -0.42 0.00 0.00 0.00 173.10 173.28 3fat s ILE 109 N -3.87 2.49 0.20 0.90 1.01 -1.26 0.07 121.20 120.75 3fat s ILE 109 Ca 0.05 0.48 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 3fat s ILE 109 Cb 0.05 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3fat s ILE 109 CO -0.11 0.11 0.15 -0.94 0.00 0.00 0.00 174.94 174.15 3fat s SER 110 N -0.28 0.14 -0.18 3.58 1.04 0.42 0.08 113.70 118.49 3fat s SER 110 Ca 0.51 -1.36 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 3fat s SER 110 Cb -0.42 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 3fat s SER 110 CO 0.55 -0.86 -0.01 -0.63 0.98 0.00 0.00 173.24 173.27 3fat s ILE 111 N -4.15 3.94 -0.19 -1.02 1.01 -1.26 -1.79 121.20 117.74 3fat s ILE 111 Ca 0.38 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 3fat s ILE 111 Cb 0.07 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3fat s ILE 111 CO 0.12 0.45 0.00 -0.32 0.00 0.00 0.00 174.94 175.19 3fat s MET 112 N 0.76 3.67 0.20 2.79 -2.45 -0.10 -2.05 119.30 122.12 3fat s MET 112 Ca -0.00 -0.50 0.08 0.00 -1.25 0.00 0.00 55.69 54.02 3fat s MET 112 Cb -0.14 -3.06 -0.05 0.00 1.25 0.00 0.00 34.83 32.83 3fat s MET 112 CO 0.02 0.09 -0.15 0.96 1.05 0.00 0.00 175.02 176.99 3fat s ILE 113 N 0.79 1.79 0.10 10.11 -4.36 -0.67 -1.37 121.20 127.61 3fat s ILE 113 Ca 0.00 -2.16 -0.30 0.00 -0.26 0.00 0.00 60.65 57.93 3fat s ILE 113 Cb -0.14 -2.01 -0.06 0.00 1.25 0.00 0.00 42.46 41.49 3fat s ILE 113 CO 0.02 -0.53 1.16 -0.75 0.24 0.00 0.00 174.94 175.08 3fat s LYS 114 N -3.47 4.49 0.14 0.37 2.20 -1.26 -0.94 119.74 121.28 3fat s LYS 114 Ca 0.21 1.74 -0.34 0.00 -0.36 0.00 0.00 55.97 57.23 3fat s LYS 114 Cb -0.02 -3.32 -0.16 0.00 -1.51 0.00 0.00 37.83 32.82 3fat s LYS 114 CO 0.07 -0.13 1.16 1.63 -0.36 0.00 0.00 175.35 177.72 3fat n LYS 115 N 3.32 1.01 0.00 4.03 5.02 -0.57 -1.56 118.16 129.41 3fat n LYS 115 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3fat n LYS 115 Cb 0.46 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 2.07 2.73 3.67 0.72 0.00 -1.26 -5.01 105.19 108.11 3fat n GLY 116 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3fat n GLY 116 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fat n THR 117 N -0.51 0.44 -1.50 2.61 -1.04 -0.60 -4.85 114.28 108.83 3fat n THR 117 Ca 0.00 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 3fat n THR 117 Cb 0.00 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 66.98 3fat n THR 117 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fat n PRO 118 N 2.76 2.51 -3.70 -2.82 -0.02 -1.26 -4.83 135.00 127.64 3fat n PRO 118 Ca 0.14 -2.31 -0.11 0.00 -2.02 0.00 0.00 63.50 59.20 3fat n PRO 118 Cb 0.30 -3.11 -0.12 0.00 -0.02 0.00 0.00 33.50 30.55 3fat n PRO 118 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3fat s ILE 119 N 3.63 -0.10 -0.05 4.25 1.01 -1.26 -4.99 121.20 123.69 3fat s ILE 119 Ca 0.51 0.13 0.03 0.00 0.00 0.00 0.00 60.65 61.33 3fat s ILE 119 Cb 0.14 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 3fat s ILE 119 CO -0.03 0.06 0.09 -0.62 0.00 0.00 0.00 174.94 174.44 3fat n GLU 120 N 4.40 1.77 -3.82 2.79 -0.58 -1.26 -4.95 120.64 118.99 3fat n GLU 120 Ca -0.22 -0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.44 3fat n GLU 120 Cb 0.54 -0.96 -0.01 0.00 -0.57 0.00 0.00 31.44 30.44 3fat n GLU 120 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fat s SER 121 N -2.09 -0.18 0.27 1.62 1.04 -1.26 -3.46 113.70 109.64 3fat s SER 121 Ca -0.01 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 3fat s SER 121 Cb 0.02 0.65 0.36 0.00 0.10 0.00 0.00 66.02 67.16 3fat s SER 121 CO 0.14 -1.23 1.86 0.00 0.98 0.00 0.00 173.24 174.99 3fat h ALA 122 N 2.00 1.23 -0.83 5.32 0.00 -1.97 -2.08 119.26 122.93 3fat h ALA 122 Ca -0.23 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3fat h ALA 122 Cb 1.24 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3fat h ALA 122 CO 0.27 0.57 0.52 1.49 0.00 0.00 0.00 179.25 182.10 3fat h GLU 123 N 0.97 0.93 -0.78 0.00 4.57 -1.96 -0.46 114.58 117.86 3fat h GLU 123 Ca 0.23 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 3fat h GLU 123 Cb 0.16 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3fat h GLU 123 CO -0.02 0.62 0.50 -0.44 -1.18 0.00 0.00 179.01 178.49 3fat h ASP 124 N 0.96 0.85 -0.38 1.04 3.32 -1.79 -1.87 116.42 118.56 3fat h ASP 124 Ca 0.35 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 3fat h ASP 124 Cb 0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3fat h ASP 124 CO -0.16 0.60 0.13 -0.07 -1.72 0.00 0.00 179.24 178.02 3fat h LEU 125 N 1.01 0.54 -1.33 1.55 3.38 -0.94 -3.23 115.31 116.29 3fat h LEU 125 Ca 0.30 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3fat h LEU 125 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fat h LEU 125 CO -0.09 0.59 -0.32 0.00 0.09 0.00 0.00 178.44 178.71 3fat h ALA 126 N 0.97 1.28 -0.68 1.53 0.00 -0.71 -2.96 119.26 118.69 3fat h ALA 126 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3fat h ALA 126 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3fat h ALA 126 CO -0.01 0.40 0.28 0.87 0.00 0.00 0.00 179.25 180.79 3fat h LYS 127 N 0.00 0.99 -5.31 0.00 1.57 -1.36 -3.47 116.57 108.99 3fat h LYS 127 Ca -0.00 -0.16 -0.67 0.00 -1.87 0.00 0.00 60.65 57.95 3fat h LYS 127 Cb 0.64 -0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 3fat h LYS 127 CO 0.04 0.79 -0.51 1.14 -0.57 0.00 0.00 179.45 180.35 3fat s GLN 128 N -5.48 2.18 0.00 3.15 1.03 -1.12 -5.06 119.66 114.35 3fat s GLN 128 Ca -0.11 -2.34 0.00 0.00 0.04 0.00 0.00 55.36 52.95 3fat s GLN 128 Cb 0.16 -1.59 0.00 0.00 0.03 0.00 0.00 33.01 31.61 3fat s GLN 128 CO 0.81 -0.34 0.08 0.25 -2.54 0.00 0.00 175.29 173.54 3fat n THR 129 N -1.27 0.00 0.02 3.63 -2.24 -1.26 -4.83 114.28 108.33 3fat n THR 129 Ca -0.16 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 3fat n THR 129 Cb 0.67 1.32 -0.09 0.00 -2.10 0.00 0.00 70.33 70.13 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 -0.03 -5.55 -0.78 4.57 -1.97 -3.40 114.58 107.43 3fat h GLU 130 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 3fat h GLU 130 Cb 0.16 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.63 3fat h GLU 130 CO 0.00 0.24 0.19 0.42 -1.18 0.00 0.00 179.01 178.69 3fat s ILE 131 N -5.12 4.88 0.61 2.32 1.01 -1.26 -4.90 121.20 118.74 3fat s ILE 131 Ca -0.15 0.77 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 3fat s ILE 131 Cb 0.04 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3fat s ILE 131 CO 0.66 -0.26 1.01 0.00 0.00 0.00 0.00 174.94 176.36 3fat s ALA 132 N 2.74 3.11 0.00 9.38 0.00 -0.17 -4.88 121.76 131.95 3fat s ALA 132 Ca 0.26 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 3fat s ALA 132 Cb -0.14 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.99 3fat s ALA 132 CO 0.14 -0.69 0.52 1.52 0.00 0.00 0.00 175.76 177.25 3fat s TYR 133 N -3.16 -0.44 0.00 0.00 -0.85 -1.26 -0.51 117.35 111.14 3fat s TYR 133 Ca 0.55 0.62 0.00 0.00 -0.52 0.00 0.00 57.07 57.71 3fat s TYR 133 Cb -0.11 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.54 3fat s TYR 133 CO 0.53 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.39 3fat n GLY 134 N 0.74 2.08 3.30 5.49 0.00 -1.04 -4.83 105.19 110.94 3fat n GLY 134 Ca -0.19 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.93 0.00 0.50 2.61 -4.23 -1.20 -0.56 115.64 109.84 3fat s THR 135 Ca 0.00 -1.92 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 3fat s THR 135 Cb 0.00 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.26 3fat s THR 135 CO 0.00 0.00 1.29 0.18 -0.54 0.00 0.00 174.62 175.55 3fat n LEU 136 N -0.50 4.78 -4.85 4.79 4.77 -1.26 -1.82 117.00 122.90 3fat n LEU 136 Ca 0.05 1.01 -0.31 0.00 -0.03 0.00 0.00 56.01 56.72 3fat n LEU 136 Cb 0.63 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 3fat n LEU 136 CO 0.32 -0.73 0.55 -0.62 -1.33 0.00 0.00 177.39 175.58 3fat s ASP 137 N -0.79 6.62 -1.16 -1.43 -1.08 0.31 -4.34 116.67 114.79 3fat s ASP 137 Ca 0.68 1.37 -0.02 0.00 -0.52 0.00 0.00 52.55 54.05 3fat s ASP 137 Cb -0.45 -2.42 -0.02 0.00 -1.46 0.00 0.00 42.92 38.57 3fat s ASP 137 CO 0.52 -0.46 0.95 -1.54 0.52 0.00 0.00 175.17 175.16 3fat n SER 138 N -1.28 -3.40 -1.40 -0.34 3.41 -1.26 -4.93 113.62 104.41 3fat n SER 138 Ca 0.05 -0.67 -0.03 0.00 -0.26 0.00 0.00 58.87 57.96 3fat n SER 138 Cb 0.54 -5.02 -0.00 0.00 -0.26 0.00 0.00 64.21 59.47 3fat n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fat n GLY 139 N -1.21 2.42 0.17 5.00 0.00 -1.26 -3.75 105.19 106.55 3fat n GLY 139 Ca -0.22 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.55 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 0.42 0.00 -0.07 1.61 4.64 -1.94 -2.90 113.55 115.30 3fat h SER 140 Ca -0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3fat h SER 140 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3fat h SER 140 CO 0.08 0.45 -0.19 0.74 -0.87 0.00 0.00 176.83 177.04 3fat h THR 141 N 0.00 1.42 -0.83 2.95 2.02 -1.96 -1.31 112.91 115.21 3fat h THR 141 Ca -0.00 -1.55 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 3fat h THR 141 Cb 0.82 2.26 -0.04 0.00 -1.74 0.00 0.00 68.15 69.45 3fat h THR 141 CO 0.06 0.44 0.51 0.50 0.37 0.00 0.00 175.52 177.40 3fat h LYS 142 N -0.24 1.11 -0.50 6.66 3.64 -1.75 -2.40 116.57 123.09 3fat h LYS 142 Ca -0.00 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3fat h LYS 142 Cb 0.81 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3fat h LYS 142 CO 0.04 0.77 0.12 0.93 -2.27 0.00 0.00 179.45 179.04 3fat h GLU 143 N 1.13 0.76 -0.56 1.90 5.08 -1.47 -2.41 114.58 119.02 3fat h GLU 143 Ca 0.30 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3fat h GLU 143 Cb -0.07 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.00 3fat h GLU 143 CO -0.06 0.69 0.22 0.35 -1.00 0.00 0.00 179.01 179.22 3fat h PHE 144 N 0.74 0.40 -0.29 4.33 3.57 -0.71 -1.06 116.94 123.92 3fat h PHE 144 Ca 0.16 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.51 3fat h PHE 144 Cb 0.28 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3fat h PHE 144 CO 0.01 0.13 -0.53 0.74 -2.23 0.00 0.00 178.31 176.43 3fat h PHE 145 N 0.42 1.05 -0.17 0.41 0.04 -1.35 -2.19 116.94 115.16 3fat h PHE 145 Ca 0.27 -0.37 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 3fat h PHE 145 Cb 0.29 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3fat h PHE 145 CO -0.15 1.19 -0.21 -0.09 -0.60 0.00 0.00 178.31 178.44 3fat h ARG 146 N 0.65 0.30 0.00 1.51 2.43 -1.18 -3.11 114.38 114.97 3fat h ARG 146 Ca 0.02 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.91 3fat h ARG 146 Cb 1.13 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3fat h ARG 146 CO 0.12 0.51 -0.94 -0.09 -1.51 0.00 0.00 179.97 178.05 3fat h ARG 147 N 0.28 0.00 -6.93 0.20 2.43 -1.10 -3.48 114.38 105.78 3fat h ARG 147 Ca 0.05 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.68 3fat h ARG 147 Cb 0.54 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 30.19 3fat h ARG 147 CO 0.04 0.83 0.78 0.45 -1.51 0.00 0.00 179.97 180.56 3fat s SER 148 N -6.59 6.38 0.00 -3.80 0.15 -0.83 -4.92 113.70 104.09 3fat s SER 148 Ca 0.01 3.02 0.17 0.00 0.70 0.00 0.00 55.95 59.84 3fat s SER 148 Cb 0.09 -2.66 0.35 0.00 -1.71 0.00 0.00 66.02 62.08 3fat s SER 148 CO 0.80 -0.85 1.26 0.29 1.20 0.00 0.00 173.24 175.94 3fat n LYS 149 N 0.64 2.28 -2.51 5.44 4.76 -1.26 -4.54 118.16 122.97 3fat n LYS 149 Ca 0.02 -2.04 -0.42 0.00 -2.87 0.00 0.00 58.31 53.00 3fat n LYS 149 Cb 0.39 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.15 4.25 0.18 -0.18 -1.09 -1.26 -4.94 121.20 117.01 3fat s ILE 150 Ca 0.30 1.65 -0.15 0.00 -2.23 0.00 0.00 60.65 60.21 3fat s ILE 150 Cb 0.17 -4.06 0.13 0.00 -1.58 0.00 0.00 42.46 37.12 3fat s ILE 150 CO 0.23 0.14 1.67 0.00 -1.23 0.00 0.00 174.94 175.75 3fat h ALA 151 N 6.62 0.38 -0.62 9.38 0.00 -1.99 -0.55 119.26 132.48 3fat h ALA 151 Ca -0.42 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3fat h ALA 151 Cb 1.22 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3fat h ALA 151 CO 0.78 -0.42 0.10 -0.24 0.00 0.00 0.00 179.25 179.47 3fat h VAL 152 N 0.05 1.26 -0.06 0.00 3.04 -1.99 -1.90 116.25 116.66 3fat h VAL 152 Ca 0.23 -1.01 -0.15 0.00 -1.01 0.00 0.00 66.70 64.76 3fat h VAL 152 Cb 0.35 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 3fat h VAL 152 CO -0.44 0.38 -0.65 1.88 -1.01 0.00 0.00 177.57 177.72 3fat h TYR 153 N 0.94 0.29 -0.78 3.17 0.05 -1.80 -1.88 116.97 116.97 3fat h TYR 153 Ca 0.19 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3fat h TYR 153 Cb 0.43 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 3fat h TYR 153 CO 0.03 0.80 0.49 0.93 -1.05 0.00 0.00 178.16 179.36 3fat h GLU 154 N 0.16 1.05 -0.47 4.88 5.08 -0.88 0.31 114.58 124.71 3fat h GLU 154 Ca -0.01 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3fat h GLU 154 Cb 1.17 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3fat h GLU 154 CO 0.10 0.73 0.03 -0.22 -1.00 0.00 0.00 179.01 178.65 3fat h LYS 155 N 1.07 0.81 -0.55 2.33 3.64 -1.09 -1.20 116.57 121.57 3fat h LYS 155 Ca 0.28 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3fat h LYS 155 Cb -0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3fat h LYS 155 CO -0.06 0.84 0.25 0.52 -2.27 0.00 0.00 179.45 178.73 3fat h MET 156 N 0.66 0.81 -0.45 1.90 2.86 -1.00 -2.33 114.93 117.38 3fat h MET 156 Ca 0.14 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3fat h MET 156 Cb 0.46 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3fat h MET 156 CO 0.02 0.68 0.24 2.35 1.06 0.00 0.00 176.91 181.26 3fat h TRP 157 N 0.75 0.62 -0.69 -0.22 2.91 -0.72 -0.55 115.95 118.05 3fat h TRP 157 Ca 0.19 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.20 3fat h TRP 157 Cb 0.15 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 3fat h TRP 157 CO 0.00 0.48 0.46 1.15 -1.03 0.00 0.00 178.44 179.50 3fat h THR 158 N 0.58 1.15 0.28 2.65 2.02 -1.01 0.75 112.91 119.34 3fat h THR 158 Ca 0.16 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3fat h THR 158 Cb 0.07 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3fat h THR 158 CO -0.02 0.17 -0.14 0.22 0.37 0.00 0.00 175.52 176.11 3fat h TYR 159 N 0.91 -0.35 -0.82 3.16 3.20 -1.09 -3.33 116.97 118.63 3fat h TYR 159 Ca 0.26 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3fat h TYR 159 Cb -0.06 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3fat h TYR 159 CO -0.00 0.00 0.54 0.52 -1.64 0.00 0.00 178.16 177.59 3fat h MET 160 N -0.85 1.03 -0.63 1.82 2.86 -0.73 -2.06 114.93 116.38 3fat h MET 160 Ca -0.04 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3fat h MET 160 Cb 0.52 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3fat h MET 160 CO 0.06 0.68 0.42 -0.09 1.06 0.00 0.00 176.91 179.05 3fat h ARG 161 N 1.06 0.42 -0.06 1.72 2.43 -0.97 -3.04 114.38 115.93 3fat h ARG 161 Ca 0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3fat h ARG 161 Cb -0.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3fat h ARG 161 CO -0.08 0.27 0.00 0.43 -1.51 0.00 0.00 179.97 179.08 3fat n SER 162 N -4.47 1.87 -4.77 -3.80 7.64 -0.91 -5.05 113.62 104.12 3fat n SER 162 Ca 0.10 -1.68 -0.37 0.00 1.01 0.00 0.00 58.87 57.93 3fat n SER 162 Cb 0.39 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 3fat n SER 162 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fat s ALA 163 N -0.72 3.00 -0.06 -0.43 0.00 -0.82 -5.05 121.76 117.67 3fat s ALA 163 Ca 0.05 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3fat s ALA 163 Cb 0.03 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3fat s ALA 163 CO 0.04 -0.56 -0.04 -1.21 0.00 0.00 0.00 175.76 173.98 3fat s GLU 164 N -2.65 0.91 0.94 0.00 0.41 -1.26 -3.75 118.70 113.30 3fat s GLU 164 Ca 0.62 -0.08 -0.16 0.00 -0.41 0.00 0.00 54.97 54.94 3fat s GLU 164 Cb -0.27 -1.01 0.23 0.00 -1.78 0.00 0.00 34.13 31.30 3fat s GLU 164 CO 0.33 -0.16 0.99 -0.35 -0.49 0.00 0.00 175.26 175.59 3fat n PRO 165 N 4.45 -2.08 -1.63 0.39 -0.04 -1.26 -5.07 135.00 129.76 3fat n PRO 165 Ca -0.18 -1.56 -0.41 0.00 -0.04 0.00 0.00 63.50 61.31 3fat n PRO 165 Cb 0.51 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 3fat n PRO 165 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fat n SER 166 N -4.21 1.42 -0.84 3.54 2.88 -1.25 -4.91 113.62 110.26 3fat n SER 166 Ca 0.13 1.01 0.10 0.00 -1.33 0.00 0.00 58.87 58.78 3fat n SER 166 Cb 0.49 -1.39 0.09 0.00 -0.75 0.00 0.00 64.21 62.65 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 -0.66 0.04 -3.56 2.46 0.24 -1.26 -4.95 118.33 110.64 3fat n VAL 167 Ca 0.10 -0.52 -0.37 0.00 -2.04 0.00 0.00 64.34 61.50 3fat n VAL 167 Cb 0.41 1.39 -0.07 0.00 -1.47 0.00 0.00 33.84 34.10 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 -1.69 3.55 0.30 6.34 0.08 -1.26 -3.24 117.98 122.06 3fat s PHE 168 Ca 0.25 0.71 0.09 0.00 0.12 0.00 0.00 56.93 58.10 3fat s PHE 168 Cb 0.17 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3fat s PHE 168 CO 0.26 0.40 0.03 0.95 -0.10 0.00 0.00 175.22 176.76 3fat s THR 169 N -0.10 3.18 0.05 0.64 -4.23 -0.76 -4.79 115.64 109.62 3fat s THR 169 Ca 0.19 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 3fat s THR 169 Cb -0.14 -2.85 -0.21 0.00 1.34 0.00 0.00 72.50 70.64 3fat s THR 169 CO 0.07 -0.30 1.04 -0.09 -0.54 0.00 0.00 174.62 174.79 3fat h ARG 170 N 1.80 0.00 -4.86 3.99 2.43 -1.92 0.89 114.38 116.72 3fat h ARG 170 Ca -0.44 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.46 3fat h ARG 170 Cb 1.25 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.65 3fat h ARG 170 CO 0.62 0.78 -0.70 0.95 -1.51 0.00 0.00 179.97 180.11 3fat s THR 171 N -2.67 0.90 0.26 0.20 -4.23 -1.26 -4.78 115.64 104.05 3fat s THR 171 Ca -0.01 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3fat s THR 171 Cb 0.09 -1.82 0.12 0.00 1.34 0.00 0.00 72.50 72.23 3fat s THR 171 CO 0.82 -0.76 1.76 0.71 -0.54 0.00 0.00 174.62 176.61 3fat h THR 172 N 2.84 1.24 -0.95 3.99 1.35 -1.97 -2.80 112.91 116.62 3fat h THR 172 Ca -0.36 -0.99 0.04 0.00 -0.55 0.00 0.00 66.41 64.56 3fat h THR 172 Cb 1.18 0.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 3fat h THR 172 CO 0.64 0.35 0.61 0.00 -0.25 0.00 0.00 175.52 176.88 3fat h ALA 173 N 1.25 1.27 -0.77 6.62 0.00 -1.97 0.38 119.26 126.03 3fat h ALA 173 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3fat h ALA 173 Cb 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fat h ALA 173 CO 0.02 0.46 0.34 1.49 0.00 0.00 0.00 179.25 181.56 3fat h GLU 174 N 1.16 1.13 -0.36 0.00 4.81 -1.92 0.11 114.58 119.53 3fat h GLU 174 Ca 0.39 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3fat h GLU 174 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3fat h GLU 174 CO -0.14 0.90 -0.08 0.78 -0.73 0.00 0.00 179.01 179.74 3fat h GLY 175 N 1.11 0.74 1.05 1.92 0.00 -1.07 -2.30 103.07 104.52 3fat h GLY 175 Ca 0.26 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3fat h GLY 175 CO -0.03 0.56 0.02 -2.08 0.00 0.00 0.00 176.54 175.01 3fat h VAL 176 N 0.48 1.26 -0.90 4.60 2.07 -0.71 -1.87 116.25 121.19 3fat h VAL 176 Ca 0.09 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3fat h VAL 176 Cb 0.58 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3fat h VAL 176 CO 0.03 0.39 0.50 0.00 0.02 0.00 0.00 177.57 178.52 3fat h ALA 177 N 0.97 1.19 -0.62 1.67 0.00 -0.95 -1.89 119.26 119.64 3fat h ALA 177 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fat h ALA 177 Cb 0.52 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3fat h ALA 177 CO 0.02 0.66 0.28 -0.09 0.00 0.00 0.00 179.25 180.12 3fat h ARG 178 N 1.25 0.90 -0.57 0.00 2.43 -1.09 -0.61 114.38 116.69 3fat h ARG 178 Ca 0.32 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3fat h ARG 178 Cb 0.02 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3fat h ARG 178 CO -0.05 0.74 0.28 0.28 -1.51 0.00 0.00 179.97 179.71 3fat h VAL 179 N 0.85 0.93 -0.00 0.20 2.07 -0.95 -2.07 116.25 117.28 3fat h VAL 179 Ca 0.21 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 3fat h VAL 179 Cb 0.15 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3fat h VAL 179 CO -0.02 0.10 -0.59 0.03 0.02 0.00 0.00 177.57 177.11 3fat h ARG 180 N 0.54 0.01 -0.33 1.57 3.08 -0.79 -3.21 114.38 115.24 3fat h ARG 180 Ca 0.26 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3fat h ARG 180 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3fat h ARG 180 CO -0.18 0.59 0.00 1.17 -1.07 0.00 0.00 179.97 180.48 3fat n LYS 181 N -3.84 2.46 -0.11 0.04 4.81 -0.29 -4.38 118.16 116.84 3fat n LYS 181 Ca -0.01 -2.23 0.10 0.00 -0.87 0.00 0.00 58.31 55.30 3fat n LYS 181 Cb 0.59 -1.50 0.15 0.00 0.02 0.00 0.00 35.03 34.29 3fat n LYS 181 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3fat n SER 182 N 1.46 3.06 -3.34 3.14 7.64 -0.79 -4.97 113.62 119.80 3fat n SER 182 Ca 0.18 -1.90 -0.24 0.00 1.01 0.00 0.00 58.87 57.92 3fat n SER 182 Cb 0.60 -0.15 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 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 1.22 -5.28 -0.64 1.43 5.02 -1.26 -1.91 118.16 116.74 3fat n LYS 183 Ca 0.15 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 3fat n LYS 183 Cb 0.53 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 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 -1.57 0.71 1.41 0.72 0.00 -1.26 -4.93 105.19 100.27 3fat n GLY 184 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.48 3.04 -3.72 1.61 4.76 -0.80 -4.83 118.16 115.72 3fat n LYS 185 Ca 0.00 -2.66 -0.13 0.00 -2.87 0.00 0.00 58.31 52.65 3fat n LYS 185 Cb 0.00 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.37 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 -1.34 -0.26 0.07 2.13 5.36 -1.25 -0.99 117.98 121.69 3fat s PHE 186 Ca 0.49 0.67 0.07 0.00 -0.96 0.00 0.00 56.93 57.20 3fat s PHE 186 Cb 0.28 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.88 3fat s PHE 186 CO 0.29 -0.22 -0.15 0.00 -1.46 0.00 0.00 175.22 173.68 3fat s ALA 187 N 1.43 2.72 -0.09 11.12 0.00 0.33 -4.58 121.76 132.70 3fat s ALA 187 Ca -0.07 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.71 3fat s ALA 187 Cb -0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3fat s ALA 187 CO -0.07 0.59 -0.22 0.12 0.00 0.00 0.00 175.76 176.18 3fat s PHE 188 N -1.03 2.57 -0.41 0.00 5.36 -0.47 -2.48 117.98 121.52 3fat s PHE 188 Ca 0.17 -0.82 -0.16 0.00 -0.96 0.00 0.00 56.93 55.16 3fat s PHE 188 Cb -0.11 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 3fat s PHE 188 CO 0.08 -0.28 0.36 -0.51 -1.46 0.00 0.00 175.22 173.41 3fat s LEU 189 N 0.11 4.94 0.18 6.12 1.43 0.28 -0.92 118.68 130.82 3fat s LEU 189 Ca -0.11 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 3fat s LEU 189 Cb -0.16 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3fat s LEU 189 CO 0.06 -0.49 0.27 -1.48 0.23 0.00 0.00 176.35 174.95 3fat s LEU 190 N 1.90 0.94 0.49 1.79 2.34 -0.74 -4.39 118.68 121.02 3fat s LEU 190 Ca 0.08 -1.01 -0.22 0.00 0.06 0.00 0.00 54.13 53.04 3fat s LEU 190 Cb -0.18 1.07 -0.06 0.00 -0.56 0.00 0.00 46.19 46.45 3fat s LEU 190 CO 0.12 -0.92 1.20 -1.61 -1.06 0.00 0.00 176.35 174.07 3fat s GLU 191 N -4.02 3.54 0.40 1.48 2.02 -1.26 -0.44 118.70 120.42 3fat s GLU 191 Ca 0.23 1.83 0.08 0.00 0.02 0.00 0.00 54.97 57.14 3fat s GLU 191 Cb 0.04 -2.29 0.86 0.00 0.10 0.00 0.00 34.13 32.83 3fat s GLU 191 CO 0.04 -0.75 1.99 0.66 0.02 0.00 0.00 175.26 177.23 3fat h SER 192 N 1.75 0.52 -0.30 -0.19 4.64 -0.67 -1.98 113.55 117.34 3fat h SER 192 Ca -0.50 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 3fat h SER 192 Cb 1.26 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 3fat h SER 192 CO 0.59 0.35 0.06 0.71 -0.87 0.00 0.00 176.83 177.66 3fat h THR 193 N 0.60 0.86 -0.03 2.95 1.35 -1.89 0.25 112.91 117.00 3fat h THR 193 Ca 0.26 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 66.05 3fat h THR 193 Cb 0.25 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3fat h THR 193 CO -0.07 0.03 -0.00 0.24 -0.25 0.00 0.00 175.52 175.46 3fat h MET 194 N 0.17 0.05 -0.41 4.72 2.86 -1.76 -2.44 114.93 118.11 3fat h MET 194 Ca 0.14 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 3fat h MET 194 Cb 0.15 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 3fat h MET 194 CO -0.18 0.39 -0.04 -0.97 1.06 0.00 0.00 176.91 177.17 3fat h ASN 195 N -0.30 -0.26 -0.23 1.22 -0.73 -1.19 -1.32 115.58 112.78 3fat h ASN 195 Ca 0.01 0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.15 3fat h ASN 195 Cb 0.37 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 3fat h ASN 195 CO 0.00 -0.09 -0.33 -0.33 -0.37 0.00 0.00 177.43 176.31 3fat h GLU 196 N 0.06 0.75 -0.14 6.67 5.08 -0.99 -1.92 114.58 124.10 3fat h GLU 196 Ca 0.20 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3fat h GLU 196 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fat h GLU 196 CO -0.38 0.97 0.09 -0.92 -1.00 0.00 0.00 179.01 177.78 3fat h TYR 197 N 0.63 0.17 -0.29 4.33 3.20 -1.03 -3.19 116.97 120.80 3fat h TYR 197 Ca 0.07 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3fat h TYR 197 Cb 0.87 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3fat h TYR 197 CO 0.04 0.11 -0.28 0.82 -1.64 0.00 0.00 178.16 177.21 3fat h ILE 198 N 0.18 1.28 0.00 1.81 2.04 -1.09 -2.87 117.51 118.86 3fat h ILE 198 Ca 0.05 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3fat h ILE 198 Cb -0.02 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3fat h ILE 198 CO -0.01 0.44 0.00 1.05 0.00 0.00 0.00 178.15 179.63 3fat h GLU 199 N 0.51 0.00 -0.55 2.37 4.11 -1.34 -2.83 114.58 116.84 3fat h GLU 199 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3fat h GLU 199 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3fat h GLU 199 CO 0.06 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.18 3fat n GLN 200 N -2.45 2.37 -4.24 1.06 1.13 -1.08 -4.83 117.38 109.34 3fat n GLN 200 Ca 0.02 -2.11 -0.19 0.00 -1.94 0.00 0.00 57.00 52.78 3fat n GLN 200 Cb 0.29 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.06 3fat n GLN 200 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3fat s ARG 201 N -1.27 1.00 0.54 -1.09 0.52 -1.07 -4.03 118.95 113.55 3fat s ARG 201 Ca 0.40 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 54.21 3fat s ARG 201 Cb 0.21 -0.95 -0.07 0.00 0.52 0.00 0.00 34.95 34.66 3fat s ARG 201 CO 0.28 0.19 0.97 1.63 0.02 0.00 0.00 175.30 178.39 3fat n LYS 202 N 0.71 1.08 -0.08 3.54 5.02 -1.26 -1.22 118.16 125.95 3fat n LYS 202 Ca -0.17 0.40 0.01 0.00 -2.02 0.00 0.00 58.31 56.54 3fat n LYS 202 Cb 0.56 -2.13 0.05 0.00 -0.02 0.00 0.00 35.03 33.49 3fat n LYS 202 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3fat n PRO 203 N -0.57 1.35 -3.20 1.97 -0.04 -1.26 -4.98 135.00 128.27 3fat n PRO 203 Ca 0.12 -0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 62.97 3fat n PRO 203 Cb 0.45 -1.31 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.89 -4.32 0.00 5.75 -1.26 -4.96 116.55 112.02 3fat n ASP 205 Ca -0.08 -2.13 -0.17 0.00 -0.01 0.00 0.00 54.79 52.40 3fat n ASP 205 Cb 0.60 -0.24 -0.10 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.24 1.47 0.06 2.12 -4.23 -1.26 -1.51 115.64 111.05 3fat s THR 206 Ca 0.22 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 58.41 3fat s THR 206 Cb 0.13 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.95 3fat s THR 206 CO 0.12 -0.58 0.45 0.00 -0.54 0.00 0.00 174.62 174.07 3fat s MET 207 N -3.71 0.99 0.02 3.99 0.23 -0.12 -4.64 119.30 116.05 3fat s MET 207 Ca 0.22 -0.39 -0.25 0.00 -1.03 0.00 0.00 55.69 54.23 3fat s MET 207 Cb 0.02 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 3fat s MET 207 CO 0.06 -0.36 0.78 0.21 -2.03 0.00 0.00 175.02 173.68 3fat s LYS 208 N -2.75 4.50 -0.03 3.16 2.20 -1.26 -1.66 119.74 123.89 3fat s LYS 208 Ca -0.04 1.08 0.07 0.00 -0.36 0.00 0.00 55.97 56.72 3fat s LYS 208 Cb -0.00 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3fat s LYS 208 CO -0.04 0.19 -0.25 0.14 -0.36 0.00 0.00 175.35 175.03 3fat s VAL 209 N 0.27 2.17 0.04 4.02 -7.23 -0.87 -5.00 120.40 113.80 3fat s VAL 209 Ca 0.40 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 3fat s VAL 209 Cb -0.20 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 34.98 3fat s VAL 209 CO 0.23 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.21 3fat n GLY 210 N 2.50 -1.81 2.42 2.32 0.00 -1.22 -4.32 105.19 105.07 3fat n GLY 210 Ca -0.16 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.69 0.89 3.78 -0.02 0.00 -1.26 -4.94 105.19 102.94 3fat n GLY 211 Ca 0.00 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -3.49 6.70 0.31 1.61 0.01 -1.26 -4.74 114.94 114.08 3fat s ASN 212 Ca 0.41 2.10 0.17 0.00 -0.71 0.00 0.00 52.86 54.82 3fat s ASN 212 Cb -0.02 -2.59 0.19 0.00 0.41 0.00 0.00 41.25 39.24 3fat s ASN 212 CO 0.27 -0.54 1.51 -0.07 -1.51 0.00 0.00 177.10 176.76 3fat h LEU 213 N 2.51 0.00 0.00 0.60 4.07 -0.68 -3.48 115.31 118.34 3fat h LEU 213 Ca -0.48 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.41 3fat h LEU 213 Cb 1.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 3fat h LEU 213 CO 0.62 0.43 -0.00 -0.90 -1.08 0.00 0.00 178.44 177.51 3fat n ASP 214 N -3.24 -0.53 -3.69 -0.43 5.75 -1.26 -4.94 116.55 108.21 3fat n ASP 214 Ca 0.02 -1.57 -0.16 0.00 -0.01 0.00 0.00 54.79 53.07 3fat n ASP 214 Cb 0.68 0.94 -0.15 0.00 -1.03 0.00 0.00 41.12 41.56 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 -1.68 0.49 0.00 -1.12 0.15 -1.26 -4.20 113.70 106.08 3fat s SER 215 Ca 0.08 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.06 3fat s SER 215 Cb -0.01 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 3fat s SER 215 CO 0.06 -0.22 0.00 2.29 1.20 0.00 0.00 173.24 176.57 3fat n LYS 216 N 5.01 0.00 -3.88 5.44 2.85 -0.37 -5.02 118.16 122.19 3fat n LYS 216 Ca -0.11 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.06 3fat n LYS 216 Cb 0.50 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.81 3fat n LYS 216 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3fat s GLY 217 N -0.40 0.20 0.06 2.58 0.00 -1.26 -1.86 107.32 106.64 3fat s GLY 217 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 43.96 3fat s GLY 217 CO 0.00 -0.78 0.37 -0.19 0.00 0.00 0.00 173.10 172.50 3fat s TYR 218 N -3.89 3.58 0.08 1.90 2.02 -0.61 -1.13 117.35 119.30 3fat s TYR 218 Ca 0.09 0.74 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 3fat s TYR 218 Cb 0.04 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 3fat s TYR 218 CO -0.07 0.54 -0.06 0.20 -1.57 0.00 0.00 175.55 174.59 3fat s GLY 219 N -1.75 0.68 0.01 0.71 0.00 -1.05 -0.76 107.32 105.16 3fat s GLY 219 Ca 0.32 -1.25 -0.29 0.00 0.00 0.00 0.00 44.72 43.50 3fat s GLY 219 CO 0.18 -1.35 0.94 0.14 0.00 0.00 0.00 173.10 173.00 3fat s VAL 220 N -3.39 4.83 0.01 1.40 1.01 -1.26 -4.62 120.40 118.37 3fat s VAL 220 Ca 0.08 1.97 0.04 0.00 0.00 0.00 0.00 61.98 64.07 3fat s VAL 220 Cb 0.04 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3fat s VAL 220 CO -0.05 0.20 -0.08 0.00 0.00 0.00 0.00 175.10 175.17 3fat s ALA 221 N 0.79 2.98 0.09 5.51 0.00 -0.80 -0.27 121.76 130.07 3fat s ALA 221 Ca 0.49 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.46 3fat s ALA 221 Cb -0.21 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 3fat s ALA 221 CO 0.27 0.61 -0.11 0.95 0.00 0.00 0.00 175.76 177.48 3fat s THR 222 N -0.99 0.97 0.65 0.00 -4.23 -0.11 -0.82 115.64 111.11 3fat s THR 222 Ca 0.17 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 3fat s THR 222 Cb -0.11 -1.27 -0.00 0.00 1.34 0.00 0.00 72.50 72.45 3fat s THR 222 CO 0.07 -0.49 1.16 -2.84 -0.54 0.00 0.00 174.62 171.99 3fat s PRO 223 N -2.54 2.69 0.39 3.99 0.02 -1.26 -1.14 135.00 137.14 3fat s PRO 223 Ca 0.03 1.62 -0.26 0.00 0.02 0.00 0.00 61.00 62.41 3fat s PRO 223 Cb -0.05 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 3fat s PRO 223 CO 0.01 -1.38 1.27 1.63 -0.33 0.00 0.00 177.00 178.19 3fat n LYS 224 N -2.22 1.99 -0.92 5.54 4.76 -1.26 -2.17 118.16 123.88 3fat n LYS 224 Ca 0.12 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3fat n LYS 224 Cb 0.51 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 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 0.81 0.95 3.75 0.72 0.00 -1.26 -5.01 105.19 105.15 3fat n GLY 225 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.96 6.65 0.02 1.61 0.15 -0.92 -4.90 113.70 113.36 3fat s SER 226 Ca 0.00 2.69 0.17 0.00 0.70 0.00 0.00 55.95 59.51 3fat s SER 226 Cb 0.00 -2.63 0.71 0.00 -1.71 0.00 0.00 66.02 62.39 3fat s SER 226 CO 0.00 -0.69 1.53 -1.54 1.20 0.00 0.00 173.24 173.75 3fat n SER 227 N 2.02 0.06 -0.18 5.45 3.41 -1.26 -2.58 113.62 120.53 3fat n SER 227 Ca 0.05 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3fat n SER 227 Cb 0.40 -0.53 0.41 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.57 0.83 0.22 1.04 4.77 -1.26 -4.50 117.00 116.53 3fat n LEU 228 Ca 0.04 -0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 3fat n LEU 228 Cb 0.19 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3fat n LEU 228 CO 0.15 0.16 0.64 -0.09 -1.33 0.00 0.00 177.39 176.93 3fat h ARG 229 N 0.91 -0.68 -0.09 3.23 2.43 -1.87 -1.18 114.38 117.12 3fat h ARG 229 Ca 0.00 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3fat h ARG 229 Cb 0.48 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3fat h ARG 229 CO 0.00 -0.45 -0.06 1.15 -1.51 0.00 0.00 179.97 179.10 3fat h THR 230 N -0.71 1.34 -0.68 0.20 2.02 -1.83 -2.08 112.91 111.17 3fat h THR 230 Ca -0.02 -1.14 0.11 0.00 0.77 0.00 0.00 66.41 66.13 3fat h THR 230 Cb 0.64 1.92 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 3fat h THR 230 CO -0.06 0.32 0.28 -0.65 0.37 0.00 0.00 175.52 175.78 3fat h PRO 231 N -0.20 0.45 -0.53 6.66 0.11 -1.80 -0.52 132.00 136.18 3fat h PRO 231 Ca 0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3fat h PRO 231 Cb 0.54 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3fat h PRO 231 CO 0.02 0.30 0.24 0.28 -0.21 0.00 0.00 178.00 178.63 3fat h VAL 232 N 0.47 1.20 -0.39 3.15 2.07 -1.18 -0.69 116.25 120.88 3fat h VAL 232 Ca 0.35 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3fat h VAL 232 Cb 0.45 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3fat h VAL 232 CO -0.33 0.23 0.16 -1.13 0.02 0.00 0.00 177.57 176.52 3fat h ASN 233 N 0.71 0.53 -0.01 0.57 -1.24 -0.69 -1.75 115.58 113.70 3fat h ASN 233 Ca 0.18 -0.16 -0.09 0.00 0.71 0.00 0.00 56.30 56.94 3fat h ASN 233 Cb 0.14 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3fat h ASN 233 CO -0.02 0.55 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.36 3fat h LEU 234 N 0.48 0.40 -0.49 0.34 3.38 -1.02 -2.55 115.31 115.85 3fat h LEU 234 Ca 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fat h LEU 234 Cb 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3fat h LEU 234 CO -0.01 0.64 0.17 0.00 0.09 0.00 0.00 178.44 179.33 3fat h ALA 235 N 1.39 0.64 -0.63 1.53 0.00 -0.74 -0.49 119.26 120.97 3fat h ALA 235 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fat h ALA 235 Cb 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3fat h ALA 235 CO 0.04 0.28 0.38 0.28 0.00 0.00 0.00 179.25 180.24 3fat h VAL 236 N 0.66 1.18 -0.40 0.00 2.07 -1.15 -1.11 116.25 117.50 3fat h VAL 236 Ca 0.16 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3fat h VAL 236 Cb 0.25 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3fat h VAL 236 CO -0.01 0.19 -0.11 -0.07 0.02 0.00 0.00 177.57 177.59 3fat h LEU 237 N 0.85 0.70 -0.29 2.57 3.38 -1.23 -0.46 115.31 120.84 3fat h LEU 237 Ca 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fat h LEU 237 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3fat h LEU 237 CO -0.04 0.84 0.16 0.11 0.09 0.00 0.00 178.44 179.59 3fat h LYS 238 N 0.65 0.41 -0.59 1.13 1.57 -0.65 -0.94 116.57 118.15 3fat h LYS 238 Ca 0.11 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3fat h LYS 238 Cb 0.57 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3fat h LYS 238 CO 0.04 0.36 0.06 -0.07 -0.57 0.00 0.00 179.45 179.27 3fat h LEU 239 N 0.35 0.93 0.15 2.94 3.38 -1.03 -1.17 115.31 120.87 3fat h LEU 239 Ca 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3fat h LEU 239 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3fat h LEU 239 CO -0.02 0.95 -0.11 -1.28 0.09 0.00 0.00 178.44 178.08 3fat h SER 240 N 0.91 -0.28 1.11 -0.43 0.87 -0.89 -0.93 113.55 113.90 3fat h SER 240 Ca 0.18 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3fat h SER 240 Cb 0.44 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3fat h SER 240 CO 0.02 -0.18 -0.02 -0.33 -0.53 0.00 0.00 176.83 175.79 3fat h GLU 241 N -0.27 0.00 -0.01 2.24 5.08 -0.89 -2.21 114.58 118.52 3fat h GLU 241 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fat h GLU 241 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fat h GLU 241 CO -0.01 0.02 -0.11 0.00 -1.00 0.00 0.00 179.01 177.91 3fat n ALA 242 N -2.10 2.79 -0.96 3.43 0.00 -0.47 -4.93 120.51 118.27 3fat n ALA 242 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3fat n ALA 242 Cb 0.34 -1.13 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 1.25 0.62 0.26 0.00 0.00 -0.83 -4.93 105.19 101.57 3fat n GLY 243 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 1.28 -0.79 1.61 2.07 -1.40 -1.43 116.25 117.59 3fat h VAL 244 Ca 0.00 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 3fat h VAL 244 Cb 0.00 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3fat h VAL 244 CO 0.00 0.50 0.45 -0.07 0.02 0.00 0.00 177.57 178.46 3fat h LEU 245 N 0.73 0.98 -0.64 2.57 3.38 -1.82 -0.56 115.31 119.93 3fat h LEU 245 Ca 0.08 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fat h LEU 245 Cb 0.88 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3fat h LEU 245 CO 0.08 0.78 0.10 0.44 0.09 0.00 0.00 178.44 179.93 3fat h ASP 246 N 1.09 1.03 -0.45 -0.43 3.32 -1.83 -1.74 116.42 117.41 3fat h ASP 246 Ca 0.28 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3fat h ASP 246 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3fat h ASP 246 CO -0.05 1.03 0.22 0.50 -1.72 0.00 0.00 179.24 179.23 3fat h LYS 247 N 0.99 0.64 -0.63 3.56 3.64 -0.66 -1.47 116.57 122.64 3fat h LYS 247 Ca 0.19 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3fat h LYS 247 Cb 0.45 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3fat h LYS 247 CO 0.01 0.55 0.11 -0.07 -2.27 0.00 0.00 179.45 177.78 3fat h LEU 248 N 0.58 0.98 0.04 5.20 3.38 -0.98 -1.12 115.31 123.39 3fat h LEU 248 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3fat h LEU 248 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fat h LEU 248 CO -0.02 0.97 -0.02 0.50 0.09 0.00 0.00 178.44 179.96 3fat h LYS 249 N 0.97 -0.05 -1.01 1.13 1.63 -1.00 -1.81 116.57 116.44 3fat h LYS 249 Ca 0.20 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3fat h LYS 249 Cb 0.40 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 3fat h LYS 249 CO 0.01 -0.02 0.66 -0.91 -3.45 0.00 0.00 179.45 175.74 3fat h ASN 250 N -0.06 1.14 0.21 4.20 2.35 -1.12 -1.07 115.58 121.23 3fat h ASN 250 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3fat h ASN 250 Cb 0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3fat h ASN 250 CO 0.01 0.81 -0.20 0.50 -1.65 0.00 0.00 177.43 176.90 3fat h LYS 251 N 1.34 -0.43 0.00 0.81 3.64 -0.94 -1.70 116.57 119.29 3fat h LYS 251 Ca 0.38 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3fat h LYS 251 Cb -0.12 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3fat h LYS 251 CO -0.09 -0.28 -0.47 -1.49 -2.27 0.00 0.00 179.45 174.84 3fat h TRP 252 N -0.44 0.00 -0.34 1.91 4.06 -1.12 -3.24 115.95 116.78 3fat h TRP 252 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3fat h TRP 252 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 3fat h TRP 252 CO -0.15 0.00 0.00 0.91 -3.56 0.00 0.00 178.44 175.64 3fat n TRP 253 N -2.19 0.44 -1.61 0.49 8.01 -0.42 -4.90 117.44 117.25 3fat n TRP 253 Ca 0.04 -0.34 -0.49 0.00 -1.31 0.00 0.00 57.50 55.39 3fat n TRP 253 Cb 0.44 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.68 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 0.90 1.72 -2.38 -5.99 9.36 -0.64 -5.01 117.16 115.13 3fat n TYR 254 Ca 0.14 0.53 -0.19 0.00 3.32 0.00 0.00 57.90 61.70 3fat n TYR 254 Cb 0.46 -2.39 0.11 0.00 -0.63 0.00 0.00 39.34 36.89 3fat n TYR 254 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3fat n ASP 255 N 2.65 0.87 -3.24 2.98 4.64 -1.26 -5.07 116.55 118.12 3fat n ASP 255 Ca 0.17 -1.80 -0.25 0.00 -1.38 0.00 0.00 54.79 51.54 3fat n ASP 255 Cb 0.23 -0.57 -0.07 0.00 -1.04 0.00 0.00 41.12 39.67 3fat n ASP 255 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3fat n GLY 257 N -1.20 3.06 0.49 0.27 0.00 -1.26 -5.12 105.19 101.43 3fat n GLY 257 Ca 0.13 -1.71 0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 4.18 0.00 -0.01 1.61 5.08 -1.98 -3.51 114.58 119.94 3fat h GLU 258 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3fat h GLU 258 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3fat h GLU 258 CO 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.51