#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 2.90 -0.41 1.61 1.70 -1.26 -4.94 118.95 118.54 3fat s ARG 2 Ca 0.00 1.00 -0.20 0.00 -0.47 0.00 0.00 55.73 56.05 3fat s ARG 2 Cb 0.00 -1.98 0.02 0.00 -0.57 0.00 0.00 34.95 32.41 3fat s ARG 2 CO 0.00 -1.13 0.63 0.99 -1.08 0.00 0.00 175.30 174.70 3fat s THR 3 N -2.98 4.86 0.13 4.99 2.01 -1.26 -4.20 115.64 119.18 3fat s THR 3 Ca 0.59 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 3fat s THR 3 Cb -0.14 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 68.14 3fat s THR 3 CO 0.54 -0.51 1.13 -0.69 -0.69 0.00 0.00 174.62 174.40 3fat s VAL 4 N 2.75 3.97 -0.24 3.82 1.01 0.18 -4.74 120.40 127.15 3fat s VAL 4 Ca 0.22 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 3fat s VAL 4 Cb -0.14 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 3fat s VAL 4 CO 0.18 0.21 0.83 -0.69 0.00 0.00 0.00 175.10 175.63 3fat s VAL 5 N 0.28 4.83 -0.31 2.92 1.01 -1.26 -0.54 120.40 127.33 3fat s VAL 5 Ca 0.53 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 64.00 3fat s VAL 5 Cb -0.29 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 31.98 3fat s VAL 5 CO 0.33 -0.07 0.12 -0.69 0.00 0.00 0.00 175.10 174.78 3fat s VAL 6 N 2.84 4.22 0.13 2.92 1.01 -0.44 -1.21 120.40 129.86 3fat s VAL 6 Ca 0.35 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 3fat s VAL 6 Cb -0.15 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 3fat s VAL 6 CO 0.07 0.02 0.76 0.28 0.00 0.00 0.00 175.10 176.23 3fat s THR 7 N 1.53 4.47 0.12 3.92 -1.32 0.44 -0.76 115.64 124.04 3fat s THR 7 Ca 0.03 1.65 -0.02 0.00 -1.21 0.00 0.00 61.69 62.14 3fat s THR 7 Cb -0.18 -4.12 0.01 0.00 -1.51 0.00 0.00 72.50 66.71 3fat s THR 7 CO 0.04 0.49 0.18 1.07 -2.21 0.00 0.00 174.62 174.20 3fat n THR 8 N 1.85 0.00 -3.90 5.08 5.66 -1.10 -2.13 114.28 119.74 3fat n THR 8 Ca -0.05 -0.48 -0.11 0.00 -3.05 0.00 0.00 64.05 60.35 3fat n THR 8 Cb 0.49 0.34 -0.12 0.00 -1.55 0.00 0.00 70.33 69.49 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 -0.44 1.09 2.07 -1.26 -0.63 121.20 119.47 3fat s ILE 9 Ca 0.08 -0.41 -0.28 0.00 -1.41 0.00 0.00 60.65 58.63 3fat s ILE 9 Cb -0.01 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.39 3fat s ILE 9 CO 0.06 -0.22 1.59 -0.04 -1.91 0.00 0.00 174.94 174.41 3fat s MET 10 N -0.68 3.33 -0.28 3.50 -1.94 -1.26 -4.41 119.30 117.56 3fat s MET 10 Ca -0.08 0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 54.85 3fat s MET 10 Cb -0.05 -4.14 0.17 0.00 2.01 0.00 0.00 34.83 32.82 3fat s MET 10 CO -0.00 -1.87 0.51 -2.00 -0.01 0.00 0.00 175.02 171.65 3fat s GLU 11 N 5.52 0.48 0.21 2.03 2.56 -0.79 -4.98 118.70 123.73 3fat s GLU 11 Ca 0.66 0.78 -0.30 0.00 0.00 0.00 0.00 54.97 56.11 3fat s GLU 11 Cb -0.16 0.14 -0.08 0.00 2.00 0.00 0.00 34.13 36.03 3fat s GLU 11 CO 0.30 -0.67 1.17 -1.12 -0.56 0.00 0.00 175.26 174.38 3fat s SER 12 N 2.73 7.13 -0.38 -1.70 0.01 -1.26 0.16 113.70 120.40 3fat s SER 12 Ca 0.17 2.24 0.07 0.00 1.31 0.00 0.00 55.95 59.74 3fat s SER 12 Cb -0.15 -2.61 0.64 0.00 0.21 0.00 0.00 66.02 64.11 3fat s SER 12 CO -0.20 -0.32 1.76 -0.81 0.41 0.00 0.00 173.24 174.09 3fat n PRO 13 N 2.17 2.43 -0.03 12.44 -0.04 -1.26 -4.94 135.00 145.77 3fat n PRO 13 Ca 0.03 -3.07 -0.14 0.00 -0.04 0.00 0.00 63.50 60.28 3fat n PRO 13 Cb 0.45 -2.08 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 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 1.33 0.09 -3.25 0.54 0.05 -0.62 -1.06 116.97 114.05 3fat h TYR 14 Ca 0.44 -0.04 -0.37 0.00 0.05 0.00 0.00 58.73 58.81 3fat h TYR 14 Cb 2.40 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 39.74 3fat h TYR 14 CO 1.35 0.72 -0.73 0.08 -1.05 0.00 0.00 178.16 178.54 3fat s VAL 15 N -3.56 -0.13 0.06 -2.88 1.01 -0.28 -0.53 120.40 114.09 3fat s VAL 15 Ca -0.16 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3fat s VAL 15 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3fat s VAL 15 CO 0.70 0.13 -0.06 -0.04 0.00 0.00 0.00 175.10 175.83 3fat s MET 16 N 2.19 0.60 0.23 2.72 -1.94 0.29 -1.88 119.30 121.50 3fat s MET 16 Ca 0.04 -0.96 -0.30 0.00 -1.71 0.00 0.00 55.69 52.77 3fat s MET 16 Cb -0.12 -0.16 -0.09 0.00 2.01 0.00 0.00 34.83 36.46 3fat s MET 16 CO -0.04 0.00 1.26 0.71 -0.01 0.00 0.00 175.02 176.94 3fat s TYR 17 N -2.33 3.29 0.78 -0.03 2.02 -1.26 -0.97 117.35 118.85 3fat s TYR 17 Ca -0.02 1.36 -0.12 0.00 -0.37 0.00 0.00 57.07 57.92 3fat s TYR 17 Cb -0.04 -3.54 0.06 0.00 -0.40 0.00 0.00 41.96 38.05 3fat s TYR 17 CO -0.02 -1.57 1.12 0.15 -1.57 0.00 0.00 175.55 173.66 3fat s LYS 18 N -0.63 2.05 0.28 -0.62 1.02 -0.19 -4.81 119.74 116.84 3fat s LYS 18 Ca 0.53 1.38 -0.30 0.00 0.02 0.00 0.00 55.97 57.60 3fat s LYS 18 Cb -0.36 -1.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.98 3fat s LYS 18 CO 0.41 -1.83 1.61 0.21 -0.92 0.00 0.00 175.35 174.82 3fat s LYS 19 N -4.56 4.13 -1.31 1.68 2.20 -1.26 -2.36 119.74 118.26 3fat s LYS 19 Ca 0.65 2.57 -0.07 0.00 -0.36 0.00 0.00 55.97 58.77 3fat s LYS 19 Cb -0.21 -3.03 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3fat s LYS 19 CO 0.52 -0.64 1.14 0.09 -0.36 0.00 0.00 175.35 176.10 3fat n ASN 20 N 2.44 -5.28 0.25 1.43 3.02 -1.26 -4.87 115.26 110.99 3fat n ASN 20 Ca 0.09 -0.56 0.16 0.00 -0.03 0.00 0.00 54.58 54.24 3fat n ASN 20 Cb 0.37 -5.04 0.86 0.00 -0.61 0.00 0.00 39.78 35.36 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 -2.50 0.00 0.00 3.10 2.07 -1.79 0.88 115.15 116.90 3fat h HIS 21 Ca -0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.95 3fat h HIS 21 Cb 1.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.34 3fat h HIS 21 CO 0.48 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 176.27 3fat h GLU 22 N 0.00 0.00 -0.01 5.12 3.07 -1.89 -1.55 114.58 119.32 3fat h GLU 22 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3fat h GLU 22 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3fat h GLU 22 CO -0.00 0.00 -0.11 -1.33 -1.40 0.00 0.00 179.01 176.17 3fat n MET 23 N -2.54 0.92 -4.39 2.33 2.81 0.30 -4.88 117.12 111.66 3fat n MET 23 Ca -0.00 -0.39 -0.24 0.00 -1.81 0.00 0.00 57.70 55.25 3fat n MET 23 Cb 0.14 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.07 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 -2.35 2.49 0.13 2.03 0.08 -0.59 -5.11 117.98 114.66 3fat s PHE 24 Ca 0.31 -0.38 0.09 0.00 0.12 0.00 0.00 56.93 57.08 3fat s PHE 24 Cb 0.20 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 3fat s PHE 24 CO 0.45 0.59 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.76 3fat s GLU 25 N -3.64 1.75 3.09 0.44 0.41 -1.26 -4.74 118.70 114.74 3fat s GLU 25 Ca 0.32 -1.23 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 3fat s GLU 25 Cb -0.02 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 3fat s GLU 25 CO 0.18 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 3fat n GLY 26 N 0.71 2.53 0.39 -1.39 0.00 -1.26 -1.71 105.19 104.47 3fat n GLY 26 Ca -0.15 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 2.12 0.06 0.28 1.61 2.35 -1.94 -1.93 115.58 118.13 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 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 3fat n ASP 28 N -4.38 0.00 0.23 5.81 8.00 -0.69 -1.91 116.55 123.61 3fat n ASP 28 Ca 0.12 0.22 0.15 0.00 0.71 0.00 0.00 54.79 55.98 3fat n ASP 28 Cb 0.64 -0.34 0.48 0.00 -0.02 0.00 0.00 41.12 41.88 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 -6.31 -1.24 1.57 -1.44 -3.45 116.57 105.70 3fat h LYS 29 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3fat h LYS 29 Cb 0.14 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.34 3fat h LYS 29 CO 0.00 0.00 -0.67 0.71 -0.57 0.00 0.00 179.45 178.92 3fat s TYR 30 N -3.44 2.74 0.14 -1.35 2.02 -0.80 -1.02 117.35 115.64 3fat s TYR 30 Ca 0.04 -0.19 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 3fat s TYR 30 Cb 0.08 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3fat s TYR 30 CO 0.57 0.55 0.28 -1.83 -1.57 0.00 0.00 175.55 173.55 3fat s GLU 31 N -3.20 1.05 0.00 -0.62 -1.05 -0.15 -4.80 118.70 109.94 3fat s GLU 31 Ca 0.28 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 3fat s GLU 31 Cb -0.08 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3fat s GLU 31 CO 0.18 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.42 3fat n GLY 32 N -0.17 1.67 0.18 -3.83 0.00 -1.26 -0.55 105.19 101.23 3fat n GLY 32 Ca -0.11 -1.91 -0.04 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 0.14 0.00 1.61 3.20 -0.78 -1.41 116.97 119.73 3fat h TYR 33 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3fat h TYR 33 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3fat h TYR 33 CO 0.00 0.00 -0.47 0.00 -1.64 0.00 0.00 178.16 176.06 3fat h VAL 35 N 0.00 1.27 -0.46 0.00 2.07 -1.46 -0.80 116.25 116.87 3fat h VAL 35 Ca -0.00 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3fat h VAL 35 Cb 1.24 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3fat h VAL 35 CO 0.06 0.38 0.04 0.44 0.02 0.00 0.00 177.57 178.50 3fat h ASP 36 N 0.61 0.77 -0.78 0.57 3.32 -1.06 -2.47 116.42 117.39 3fat h ASP 36 Ca 0.12 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3fat h ASP 36 Cb 0.55 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3fat h ASP 36 CO 0.03 0.86 0.47 0.25 -1.72 0.00 0.00 179.24 179.14 3fat h LEU 37 N 0.64 0.93 -0.72 1.55 5.85 -1.10 -1.26 115.31 121.20 3fat h LEU 37 Ca 0.13 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fat h LEU 37 Cb 0.45 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3fat h LEU 37 CO 0.02 0.71 0.47 0.00 -0.34 0.00 0.00 178.44 179.30 3fat h ALA 38 N 1.25 0.92 -0.56 1.25 0.00 -1.03 -0.22 119.26 120.87 3fat h ALA 38 Ca 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3fat h ALA 38 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3fat h ALA 38 CO -0.05 0.30 0.09 1.03 0.00 0.00 0.00 179.25 180.62 3fat h SER 39 N 0.95 0.89 -0.46 0.00 0.87 -0.96 -1.56 113.55 113.29 3fat h SER 39 Ca 0.27 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 3fat h SER 39 Cb -0.07 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3fat h SER 39 CO -0.07 0.93 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.76 3fat h GLU 40 N 0.82 0.86 0.01 2.24 4.39 -0.89 -2.23 114.58 119.78 3fat h GLU 40 Ca 0.17 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 3fat h GLU 40 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3fat h GLU 40 CO 0.01 0.94 -0.00 0.82 -1.16 0.00 0.00 179.01 179.61 3fat h ILE 41 N 0.70 1.16 -0.94 3.13 2.04 -0.97 -2.21 117.51 120.41 3fat h ILE 41 Ca 0.12 -0.49 0.11 0.00 1.00 0.00 0.00 64.86 65.60 3fat h ILE 41 Cb 0.59 1.49 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 3fat h ILE 41 CO 0.04 0.13 0.57 0.00 0.00 0.00 0.00 178.15 178.89 3fat h ALA 42 N 0.78 1.38 -0.70 1.87 0.00 -1.28 -0.54 119.26 120.78 3fat h ALA 42 Ca -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3fat h ALA 42 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3fat h ALA 42 CO 0.00 0.19 0.27 -0.22 0.00 0.00 0.00 179.25 179.49 3fat h LYS 43 N 0.93 1.05 0.00 0.00 3.64 -1.28 0.29 116.57 121.19 3fat h LYS 43 Ca 0.46 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.55 3fat h LYS 43 Cb 0.43 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3fat h LYS 43 CO -0.26 0.87 -0.46 0.45 -2.27 0.00 0.00 179.45 177.79 3fat h HIS 44 N 1.00 0.00 -0.08 1.91 3.86 -0.60 -3.26 115.15 117.99 3fat h HIS 44 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3fat h HIS 44 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3fat h HIS 44 CO 0.02 0.46 0.00 0.44 0.86 0.00 0.00 177.93 179.71 3fat n ILE 45 N -3.34 0.15 -2.85 2.45 -5.35 -0.33 -5.02 119.36 105.07 3fat n ILE 45 Ca 0.01 -0.58 -0.11 0.00 -0.27 0.00 0.00 62.75 61.81 3fat n ILE 45 Cb 0.65 1.15 0.06 0.00 -1.74 0.00 0.00 39.64 39.75 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 0.72 -0.19 3.29 3.28 0.00 0.93 -5.04 105.19 108.18 3fat n GLY 46 Ca 0.08 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.24 1.55 0.17 -0.61 -4.36 -0.59 -4.99 121.20 109.13 3fat s ILE 47 Ca 0.09 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 3fat s ILE 47 Cb -0.01 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 3fat s ILE 47 CO 0.48 -0.43 0.36 -0.54 0.24 0.00 0.00 174.94 175.05 3fat s LYS 48 N -2.92 3.53 0.17 0.37 1.02 -1.26 -4.65 119.74 115.99 3fat s LYS 48 Ca 0.14 -0.31 -0.14 0.00 0.02 0.00 0.00 55.97 55.67 3fat s LYS 48 Cb -0.04 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3fat s LYS 48 CO 0.05 0.44 0.41 1.52 -0.92 0.00 0.00 175.35 176.85 3fat s TYR 49 N -1.78 0.05 -0.09 3.18 -0.85 -1.26 -0.65 117.35 115.96 3fat s TYR 49 Ca 0.38 -0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.52 3fat s TYR 49 Cb -0.11 0.20 0.03 0.00 0.38 0.00 0.00 41.96 42.45 3fat s TYR 49 CO 0.28 -0.80 -0.03 0.21 -1.52 0.00 0.00 175.55 173.69 3fat s LYS 50 N -3.89 0.97 0.08 -3.49 2.47 0.30 -4.81 119.74 111.36 3fat s LYS 50 Ca 0.11 -0.03 -0.31 0.00 -1.56 0.00 0.00 55.97 54.17 3fat s LYS 50 Cb 0.01 -1.21 -0.07 0.00 -1.46 0.00 0.00 37.83 35.11 3fat s LYS 50 CO -0.04 -0.29 1.32 0.42 0.16 0.00 0.00 175.35 176.93 3fat s ILE 51 N 1.86 3.62 -0.18 5.43 1.01 -1.26 -1.33 121.20 130.35 3fat s ILE 51 Ca 0.05 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.83 3fat s ILE 51 Cb -0.12 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.66 3fat s ILE 51 CO -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 174.94 174.94 3fat s ALA 52 N 1.27 1.31 0.11 9.38 0.00 0.06 -4.88 121.76 129.01 3fat s ALA 52 Ca 0.62 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 51.46 3fat s ALA 52 Cb -0.33 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.53 3fat s ALA 52 CO 0.29 -0.98 1.51 0.42 0.00 0.00 0.00 175.76 177.00 3fat s ILE 53 N 1.71 3.07 -0.09 0.00 -1.09 -1.26 -2.69 121.20 120.84 3fat s ILE 53 Ca -0.01 0.69 -0.36 0.00 -2.23 0.00 0.00 60.65 58.75 3fat s ILE 53 Cb -0.16 -3.44 -0.13 0.00 -1.58 0.00 0.00 42.46 37.14 3fat s ILE 53 CO -0.07 0.04 1.76 0.55 -1.23 0.00 0.00 174.94 175.98 3fat n VAL 54 N 4.21 0.38 -0.28 2.92 3.14 0.20 -4.87 118.33 124.03 3fat n VAL 54 Ca 0.13 -0.07 -0.01 0.00 -2.96 0.00 0.00 64.34 61.44 3fat n VAL 54 Cb 0.41 -1.57 0.12 0.00 -1.06 0.00 0.00 33.84 31.73 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 7.83 0.87 -0.01 1.45 0.11 -1.91 -2.15 132.00 138.19 3fat h PRO 55 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3fat h PRO 55 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fat h PRO 55 CO 0.93 0.58 -0.07 -0.40 -0.21 0.00 0.00 178.00 178.83 3fat n ASP 56 N -4.66 0.93 -1.12 -2.05 5.68 -1.26 -4.93 116.55 109.14 3fat n ASP 56 Ca 0.10 -1.10 -0.14 0.00 -0.50 0.00 0.00 54.79 53.16 3fat n ASP 56 Cb 0.15 0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.08 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 1.20 1.23 3.72 6.12 0.00 -0.81 -4.97 105.19 111.67 3fat n GLY 57 Ca 0.18 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.36 2.59 -0.05 1.61 1.02 -1.26 -4.94 119.74 115.35 3fat s LYS 58 Ca 0.00 -1.13 -0.13 0.00 0.02 0.00 0.00 55.97 54.72 3fat s LYS 58 Cb 0.00 -2.41 -0.08 0.00 -0.52 0.00 0.00 37.83 34.82 3fat s LYS 58 CO 0.00 0.42 0.54 1.88 -0.92 0.00 0.00 175.35 177.28 3fat h TYR 59 N 2.14 -0.38 0.00 3.18 0.05 -1.88 -2.45 116.97 117.63 3fat h TYR 59 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3fat h TYR 59 Cb 1.22 0.13 0.00 0.00 1.01 0.00 0.00 36.73 39.09 3fat h TYR 59 CO 0.61 -0.19 0.00 0.41 -1.05 0.00 0.00 178.16 177.95 3fat n GLY 60 N 0.68 3.39 3.24 3.88 0.00 -0.35 -1.54 105.19 114.50 3fat n GLY 60 Ca -0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.19 -0.35 4.61 0.00 -1.22 -4.38 121.76 120.23 3fat s ALA 61 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 3fat s ALA 61 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3fat s ALA 61 CO 0.00 -0.55 0.72 0.50 0.00 0.00 0.00 175.76 176.43 3fat s ARG 62 N -3.89 3.77 0.17 0.00 3.52 -1.26 -1.62 118.95 119.63 3fat s ARG 62 Ca 0.08 0.26 -0.33 0.00 -0.13 0.00 0.00 55.73 55.61 3fat s ARG 62 Cb 0.04 -3.79 -0.13 0.00 -1.56 0.00 0.00 34.95 29.51 3fat s ARG 62 CO -0.08 -0.76 1.62 -3.47 -0.81 0.00 0.00 175.30 171.79 3fat n ASP 63 N 6.21 3.30 -0.16 -2.12 2.03 0.14 -4.86 116.55 121.09 3fat n ASP 63 Ca 0.01 1.08 -0.01 0.00 0.52 0.00 0.00 54.79 56.39 3fat n ASP 63 Cb 0.48 -1.46 0.23 0.00 -0.72 0.00 0.00 41.12 39.65 3fat n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fat h ALA 64 N 6.19 1.35 0.01 -1.67 0.00 -1.95 0.22 119.26 123.42 3fat h ALA 64 Ca -0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3fat h ALA 64 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3fat h ALA 64 CO 0.90 0.51 -0.01 -0.44 0.00 0.00 0.00 179.25 180.22 3fat h ASP 65 N 0.89 -0.01 1.57 0.00 3.32 -1.98 -3.39 116.42 116.81 3fat h ASP 65 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3fat h ASP 65 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3fat h ASP 65 CO -0.03 0.45 -0.29 0.71 -1.72 0.00 0.00 179.24 178.36 3fat h THR 66 N -0.94 0.00 -0.50 0.35 1.35 -1.97 -3.47 112.91 107.74 3fat h THR 66 Ca -0.00 -0.86 -0.21 0.00 -0.55 0.00 0.00 66.41 64.78 3fat h THR 66 Cb 0.01 1.70 -0.08 0.00 -1.73 0.00 0.00 68.15 68.05 3fat h THR 66 CO 0.00 0.00 -0.19 0.29 -0.25 0.00 0.00 175.52 175.37 3fat n LYS 67 N -2.76 -1.05 -3.48 4.72 4.76 0.76 -4.99 118.16 116.12 3fat n LYS 67 Ca 0.03 0.83 -0.38 0.00 -2.87 0.00 0.00 58.31 55.92 3fat n LYS 67 Cb 0.51 -4.89 -0.06 0.00 -1.84 0.00 0.00 35.03 28.75 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 -2.23 5.05 0.07 -0.18 -1.09 -1.26 -4.68 121.20 116.90 3fat s ILE 68 Ca 0.00 0.85 -0.30 0.00 -2.23 0.00 0.00 60.65 58.96 3fat s ILE 68 Cb 0.00 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 3fat s ILE 68 CO 0.00 0.54 1.03 0.26 -1.23 0.00 0.00 174.94 175.54 3fat s TRP 69 N -0.82 3.67 0.21 3.97 0.52 -1.26 -0.69 118.94 124.54 3fat s TRP 69 Ca 0.24 1.65 0.03 0.00 0.02 0.00 0.00 56.10 58.04 3fat s TRP 69 Cb -0.16 -3.17 0.03 0.00 -1.15 0.00 0.00 33.47 29.01 3fat s TRP 69 CO 0.13 -0.23 0.21 0.27 0.02 0.00 0.00 176.95 177.35 3fat n ASN 70 N 3.30 1.29 0.00 2.95 0.23 -0.64 -4.22 115.26 118.17 3fat n ASN 70 Ca 0.05 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 3fat n ASN 70 Cb 0.49 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 2.47 0.52 0.29 4.83 0.00 -1.26 -1.76 105.19 110.29 3fat n GLY 71 Ca 0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 0.74 -0.48 1.61 2.86 -0.77 -2.43 114.93 116.46 3fat h MET 72 Ca 0.00 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3fat h MET 72 Cb 0.00 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 3fat h MET 72 CO 0.00 0.70 0.17 0.28 1.06 0.00 0.00 176.91 179.12 3fat h VAL 73 N 0.71 0.84 -0.81 -2.22 2.07 -1.58 -2.16 116.25 113.10 3fat h VAL 73 Ca 0.15 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3fat h VAL 73 Cb 0.32 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3fat h VAL 73 CO 0.00 0.06 0.36 1.23 0.02 0.00 0.00 177.57 179.25 3fat h GLY 74 N 0.35 1.27 0.62 2.17 0.00 -0.99 -0.52 103.07 105.97 3fat h GLY 74 Ca 0.23 -0.66 0.11 0.00 0.00 0.00 0.00 47.33 47.01 3fat h GLY 74 CO -0.23 0.62 0.60 0.83 0.00 0.00 0.00 176.54 178.35 3fat h GLU 75 N 1.17 0.88 0.00 4.80 4.39 -0.93 -0.18 114.58 124.70 3fat h GLU 75 Ca 0.28 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3fat h GLU 75 Cb 0.16 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3fat h GLU 75 CO -0.03 0.58 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.25 3fat h LEU 76 N 0.90 0.07 -1.19 1.33 3.38 -0.98 0.33 115.31 119.15 3fat h LEU 76 Ca 0.44 -0.80 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3fat h LEU 76 Cb 0.47 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3fat h LEU 76 CO -0.21 0.86 0.56 0.58 0.09 0.00 0.00 178.44 180.32 3fat h VAL 77 N -0.72 1.14 -0.59 1.22 2.07 -0.74 -2.69 116.25 115.94 3fat h VAL 77 Ca -0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3fat h VAL 77 Cb 0.87 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3fat h VAL 77 CO 0.02 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 176.58 3fat n TYR 78 N -4.45 1.45 -1.18 1.57 4.01 -0.11 -4.96 117.16 113.49 3fat n TYR 78 Ca 0.11 -0.64 -0.00 0.00 -0.16 0.00 0.00 57.90 57.21 3fat n TYR 78 Cb 0.11 -0.27 -0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 0.89 0.41 0.08 2.72 0.00 -1.01 -4.93 105.19 103.33 3fat n GLY 79 Ca 0.25 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.66 0.40 -3.77 1.61 4.76 0.11 -4.94 118.16 113.66 3fat n LYS 80 Ca -0.01 0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 3fat n LYS 80 Cb 0.10 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 31.52 3fat n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fat s ALA 81 N -3.24 -0.55 -0.04 7.82 0.00 -0.70 -4.96 121.76 120.10 3fat s ALA 81 Ca 0.03 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.71 3fat s ALA 81 Cb 0.12 0.68 -0.17 0.00 0.00 0.00 0.00 23.12 23.75 3fat s ALA 81 CO 0.76 -0.62 0.21 0.39 0.00 0.00 0.00 175.76 176.49 3fat n GLU 82 N -0.19 0.77 -3.82 0.00 1.02 -0.35 -4.43 120.64 113.65 3fat n GLU 82 Ca -0.13 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 3fat n GLU 82 Cb 0.63 -1.28 -0.13 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.69 -0.01 -0.22 -3.67 1.01 -1.13 -4.16 121.20 110.33 3fat s ILE 83 Ca -0.04 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 3fat s ILE 83 Cb 0.07 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.32 3fat s ILE 83 CO 0.48 0.01 0.05 0.00 0.00 0.00 0.00 174.94 175.48 3fat s ALA 84 N 0.26 3.16 -0.33 9.38 0.00 0.08 -0.42 121.76 133.90 3fat s ALA 84 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3fat s ALA 84 Cb -0.03 -1.95 0.10 0.00 0.00 0.00 0.00 23.12 21.24 3fat s ALA 84 CO -0.01 -0.26 0.05 0.42 0.00 0.00 0.00 175.76 175.96 3fat s ILE 85 N 1.20 1.89 0.08 0.00 1.01 -0.91 -2.01 121.20 122.47 3fat s ILE 85 Ca 0.04 -2.05 -0.27 0.00 0.00 0.00 0.00 60.65 58.37 3fat s ILE 85 Cb -0.14 -2.39 0.09 0.00 0.01 0.00 0.00 42.46 40.03 3fat s ILE 85 CO 0.03 -0.59 1.10 0.00 0.00 0.00 0.00 174.94 175.48 3fat s ALA 86 N 1.11 -1.91 -1.03 9.38 0.00 -1.26 -4.64 121.76 123.41 3fat s ALA 86 Ca 0.10 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 3fat s ALA 86 Cb -0.19 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 3fat s ALA 86 CO -0.12 -1.04 2.14 -0.35 0.00 0.00 0.00 175.76 176.39 3fat n PRO 87 N -0.47 2.14 -3.53 0.00 -0.04 -1.26 -4.72 135.00 127.11 3fat n PRO 87 Ca -0.07 -1.90 -0.39 0.00 -0.04 0.00 0.00 63.50 61.10 3fat n PRO 87 Cb 0.62 -2.83 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 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 0.93 4.31 0.17 1.53 2.96 -1.26 -5.02 118.68 122.29 3fat s LEU 88 Ca 0.51 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 3fat s LEU 88 Cb 0.13 -2.16 -0.08 0.00 0.50 0.00 0.00 46.19 44.58 3fat s LEU 88 CO 0.02 -0.18 1.23 -0.89 -1.32 0.00 0.00 176.35 175.21 3fat s THR 89 N 1.78 3.54 -0.25 3.68 2.01 -1.26 -2.58 115.64 122.55 3fat s THR 89 Ca 0.07 1.25 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 3fat s THR 89 Cb -0.17 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3fat s THR 89 CO 0.11 0.18 1.43 -0.63 -0.69 0.00 0.00 174.62 175.02 3fat s ILE 90 N 0.19 3.96 0.10 1.82 1.01 -0.49 -4.90 121.20 122.89 3fat s ILE 90 Ca 0.55 1.10 0.02 0.00 0.00 0.00 0.00 60.65 62.31 3fat s ILE 90 Cb -0.33 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3fat s ILE 90 CO 0.36 -0.36 -0.07 0.42 0.00 0.00 0.00 174.94 175.29 3fat s THR 91 N 4.61 0.68 0.12 2.92 -4.23 -1.26 -4.76 115.64 113.71 3fat s THR 91 Ca 0.62 -1.90 -0.25 0.00 -1.18 0.00 0.00 61.69 58.99 3fat s THR 91 Cb -0.21 -1.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.93 3fat s THR 91 CO 0.25 -0.86 1.66 0.25 -0.54 0.00 0.00 174.62 175.38 3fat h LEU 92 N 3.03 -0.57 -1.36 4.79 7.12 -1.98 -0.55 115.31 125.80 3fat h LEU 92 Ca -0.35 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.70 3fat h LEU 92 Cb 1.17 0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 3fat h LEU 92 CO 0.64 -0.27 0.10 -0.37 -0.13 0.00 0.00 178.44 178.41 3fat h VAL 93 N -0.33 1.17 -0.07 1.05 -1.51 -2.00 -1.97 116.25 112.58 3fat h VAL 93 Ca 0.05 -0.57 -0.23 0.00 -1.23 0.00 0.00 66.70 64.72 3fat h VAL 93 Cb 0.39 0.77 0.01 0.00 -2.13 0.00 0.00 31.29 30.34 3fat h VAL 93 CO -0.16 0.21 -0.87 0.03 -1.23 0.00 0.00 177.57 175.55 3fat h ARG 94 N 0.53 0.64 0.00 5.19 3.08 -1.89 -3.13 114.38 118.80 3fat h ARG 94 Ca 0.13 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 3fat h ARG 94 Cb 0.18 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3fat h ARG 94 CO -0.01 1.20 -0.01 0.93 -1.07 0.00 0.00 179.97 181.01 3fat h GLU 95 N 0.41 0.00 0.00 0.04 4.39 -0.46 0.17 114.58 119.12 3fat h GLU 95 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3fat h GLU 95 Cb 1.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.15 3fat h GLU 95 CO 0.17 0.01 -0.03 0.93 -1.16 0.00 0.00 179.01 178.93 3fat h GLU 96 N 0.00 0.00 0.00 2.33 5.08 -1.32 -3.36 114.58 117.31 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 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fat h GLU 96 CO 0.00 0.03 -0.77 1.33 -1.00 0.00 0.00 179.01 178.60 3fat n VAL 97 N -3.12 0.00 -4.26 3.13 0.24 -0.41 -5.06 118.33 108.85 3fat n VAL 97 Ca 0.02 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 3fat n VAL 97 Cb 0.41 0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.70 0.41 -0.06 1.34 -4.36 0.45 -4.33 121.20 112.95 3fat s ILE 98 Ca 0.00 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 3fat s ILE 98 Cb 0.00 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3fat s ILE 98 CO 0.00 -0.14 0.10 -1.81 0.24 0.00 0.00 174.94 173.33 3fat s ASP 99 N -3.22 5.93 0.01 4.36 1.01 -0.31 -4.17 116.67 120.29 3fat s ASP 99 Ca 0.34 0.29 0.05 0.00 0.71 0.00 0.00 52.55 53.94 3fat s ASP 99 Cb 0.07 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 3fat s ASP 99 CO 0.10 0.34 -0.14 -0.36 0.21 0.00 0.00 175.17 175.32 3fat s PHE 100 N -1.09 2.67 0.94 4.23 0.08 -1.26 -1.33 117.98 122.21 3fat s PHE 100 Ca 0.19 -0.18 -0.12 0.00 0.12 0.00 0.00 56.93 56.94 3fat s PHE 100 Cb -0.12 -1.53 0.15 0.00 -0.57 0.00 0.00 43.02 40.95 3fat s PHE 100 CO 0.09 0.27 1.09 -1.54 -0.10 0.00 0.00 175.22 175.02 3fat s SER 101 N -1.28 3.10 0.71 1.36 1.04 0.50 -4.93 113.70 114.20 3fat s SER 101 Ca 0.15 1.45 -0.16 0.00 0.48 0.00 0.00 55.95 57.87 3fat s SER 101 Cb -0.11 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 3fat s SER 101 CO 0.05 -2.87 0.58 0.29 0.98 0.00 0.00 173.24 172.27 3fat n LYS 102 N -4.03 0.33 -2.08 4.02 4.76 -1.26 -4.51 118.16 115.39 3fat n LYS 102 Ca 0.07 0.15 -0.40 0.00 -2.87 0.00 0.00 58.31 55.26 3fat n LYS 102 Cb 0.55 -1.87 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.79 4.07 -0.00 1.97 0.04 -1.26 -4.59 135.00 132.44 3fat s PRO 103 Ca 0.66 2.15 0.21 0.00 0.04 0.00 0.00 61.00 64.07 3fat s PRO 103 Cb -0.35 -2.83 -0.19 0.00 0.04 0.00 0.00 34.50 31.17 3fat s PRO 103 CO 0.57 -0.40 0.88 1.97 0.04 0.00 0.00 177.00 180.05 3fat n PHE 104 N 0.29 0.01 -3.64 0.56 1.16 -0.04 -4.97 117.46 110.83 3fat n PHE 104 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.47 3fat n PHE 104 Cb 0.43 -0.11 -0.08 0.00 -1.61 0.00 0.00 39.48 38.12 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 0.79 0.12 3.97 0.00 -1.25 -4.99 119.30 114.86 3fat s MET 105 Ca 0.06 0.64 -0.02 0.00 0.00 0.00 0.00 55.69 56.37 3fat s MET 105 Cb 0.16 0.38 -0.05 0.00 0.00 0.00 0.00 34.83 35.32 3fat s MET 105 CO 0.86 -0.15 0.32 -1.12 0.00 0.00 0.00 175.02 174.93 3fat s SER 106 N -0.14 6.43 0.28 1.11 0.01 -1.26 -1.57 113.70 118.55 3fat s SER 106 Ca -0.04 0.44 -0.20 0.00 1.31 0.00 0.00 55.95 57.46 3fat s SER 106 Cb -0.03 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 64.21 3fat s SER 106 CO 0.03 0.08 0.81 -1.48 0.41 0.00 0.00 173.24 173.08 3fat s LEU 107 N -2.73 -0.15 0.07 2.44 -0.00 -0.38 -4.87 118.68 113.06 3fat s LEU 107 Ca 0.38 -0.73 -0.11 0.00 -0.00 0.00 0.00 54.13 53.68 3fat s LEU 107 Cb -0.12 2.61 0.01 0.00 -0.00 0.00 0.00 46.19 48.69 3fat s LEU 107 CO 0.27 -1.34 0.23 -0.83 -0.00 0.00 0.00 176.35 174.68 3fat s GLY 108 N -3.00 -0.01 0.32 -3.48 0.00 -1.26 -1.02 107.32 98.88 3fat s GLY 108 Ca 0.13 -0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 3fat s GLY 108 CO 0.07 -0.53 1.40 -0.42 0.00 0.00 0.00 173.10 173.62 3fat s ILE 109 N -3.18 2.49 0.33 0.90 1.01 -1.26 -0.39 121.20 121.09 3fat s ILE 109 Ca -0.00 0.47 0.05 0.00 0.00 0.00 0.00 60.65 61.17 3fat s ILE 109 Cb 0.02 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 3fat s ILE 109 CO -0.07 0.10 0.22 -0.94 0.00 0.00 0.00 174.94 174.25 3fat s SER 110 N -0.16 1.69 -0.17 3.58 1.04 0.99 -0.40 113.70 120.25 3fat s SER 110 Ca 0.53 -1.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 3fat s SER 110 Cb -0.42 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 3fat s SER 110 CO 0.53 -1.00 -0.10 -0.63 0.98 0.00 0.00 173.24 173.03 3fat s ILE 111 N -3.50 3.09 -0.17 -1.02 1.01 -1.26 -2.23 121.20 117.11 3fat s ILE 111 Ca 0.37 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 3fat s ILE 111 Cb 0.03 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3fat s ILE 111 CO 0.22 0.48 0.02 -0.32 0.00 0.00 0.00 174.94 175.35 3fat s MET 112 N 0.91 3.85 0.19 2.79 -2.45 -0.08 -1.78 119.30 122.73 3fat s MET 112 Ca -0.02 -0.41 0.07 0.00 -1.25 0.00 0.00 55.69 54.07 3fat s MET 112 Cb -0.15 -3.10 -0.05 0.00 1.25 0.00 0.00 34.83 32.79 3fat s MET 112 CO -0.00 0.26 -0.13 0.96 1.05 0.00 0.00 175.02 177.16 3fat s ILE 113 N 0.37 1.54 0.21 10.11 -4.36 -0.77 -1.40 121.20 126.90 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 -0.13 -1.98 -0.08 0.00 1.25 0.00 0.00 42.46 41.52 3fat s ILE 113 CO 0.01 -0.65 1.04 -0.75 0.24 0.00 0.00 174.94 174.84 3fat s LYS 114 N -3.68 4.68 0.19 0.37 2.20 -1.26 -1.59 119.74 120.65 3fat s LYS 114 Ca 0.21 1.65 -0.32 0.00 -0.36 0.00 0.00 55.97 57.14 3fat s LYS 114 Cb 0.00 -3.27 -0.15 0.00 -1.51 0.00 0.00 37.83 32.91 3fat s LYS 114 CO 0.05 0.23 1.30 1.63 -0.36 0.00 0.00 175.35 178.20 3fat n LYS 115 N 1.91 1.57 0.00 4.03 5.02 0.05 -1.56 118.16 129.18 3fat n LYS 115 Ca 0.01 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 3fat n LYS 115 Cb 0.46 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 2.20 3.03 3.74 0.72 0.00 -1.26 -4.98 105.19 108.64 3fat n GLY 116 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.75 2.18 -1.57 2.61 2.01 -0.60 -4.89 115.64 112.63 3fat s THR 117 Ca 0.00 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 3fat s THR 117 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3fat s THR 117 CO 0.00 0.02 2.76 -2.65 -0.69 0.00 0.00 174.62 174.06 3fat n PRO 118 N 2.53 3.52 -3.81 4.92 -0.02 -1.26 -4.85 135.00 136.03 3fat n PRO 118 Ca 0.09 -2.35 -0.14 0.00 -2.02 0.00 0.00 63.50 59.08 3fat n PRO 118 Cb 0.38 -2.92 -0.15 0.00 -0.02 0.00 0.00 33.50 30.78 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 2.32 -0.04 0.00 4.25 -1.09 -1.26 -4.99 121.20 120.39 3fat s ILE 119 Ca 0.63 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 3fat s ILE 119 Cb 0.17 -0.06 0.00 0.00 -1.58 0.00 0.00 42.46 40.99 3fat s ILE 119 CO -0.07 0.06 0.14 -0.62 -1.23 0.00 0.00 174.94 173.22 3fat n GLU 120 N 3.78 0.99 -3.71 2.79 1.02 -1.26 -4.94 120.64 119.31 3fat n GLU 120 Ca -0.22 -0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 56.71 3fat n GLU 120 Cb 0.54 -0.54 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 -0.18 -0.28 0.28 1.62 1.04 -1.26 -3.25 113.70 111.67 3fat s SER 121 Ca 0.00 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 3fat s SER 121 Cb 0.00 0.55 0.40 0.00 0.10 0.00 0.00 66.02 67.08 3fat s SER 121 CO 0.00 -1.00 1.85 0.00 0.98 0.00 0.00 173.24 175.07 3fat h ALA 122 N 2.00 1.24 -0.69 5.32 0.00 -1.96 -2.41 119.26 122.77 3fat h ALA 122 Ca -0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3fat h ALA 122 Cb 1.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3fat h ALA 122 CO 0.27 0.54 0.28 0.93 0.00 0.00 0.00 179.25 181.27 3fat h GLU 123 N 0.86 1.01 -0.64 0.00 3.07 -1.95 -1.75 114.58 115.17 3fat h GLU 123 Ca 0.20 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3fat h GLU 123 Cb 0.23 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 3fat h GLU 123 CO -0.01 0.81 0.39 -0.44 -1.40 0.00 0.00 179.01 178.37 3fat h ASP 124 N 0.99 0.64 -0.68 1.42 5.19 -1.83 -2.00 116.42 120.14 3fat h ASP 124 Ca 0.23 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 3fat h ASP 124 Cb 0.18 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 3fat h ASP 124 CO -0.02 0.44 0.34 -0.07 -3.12 0.00 0.00 179.24 176.80 3fat h LEU 125 N 0.77 0.88 -0.89 1.55 3.38 -1.21 -3.20 115.31 116.59 3fat h LEU 125 Ca 0.26 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3fat h LEU 125 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fat h LEU 125 CO -0.11 0.76 -0.42 0.00 0.09 0.00 0.00 178.44 178.75 3fat h ALA 126 N 1.16 1.06 -0.74 1.53 0.00 -0.79 -3.12 119.26 118.35 3fat h ALA 126 Ca 0.23 -0.42 -0.46 0.00 0.00 0.00 0.00 54.91 54.26 3fat h ALA 126 Cb 0.10 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.58 3fat h ALA 126 CO -0.03 0.61 0.60 0.36 0.00 0.00 0.00 179.25 180.78 3fat n LYS 127 N -4.01 2.14 -3.54 0.00 2.85 -0.80 -4.90 118.16 109.89 3fat n LYS 127 Ca -0.02 -2.37 -0.15 0.00 -1.05 0.00 0.00 58.31 54.72 3fat n LYS 127 Cb 0.49 -1.93 -0.06 0.00 -0.65 0.00 0.00 35.03 32.89 3fat n LYS 127 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3fat s GLN 128 N -2.71 0.88 0.00 -1.58 -0.44 -1.18 -5.05 119.66 109.59 3fat s GLN 128 Ca 0.46 0.21 0.00 0.00 -2.50 0.00 0.00 55.36 53.53 3fat s GLN 128 Cb 0.37 0.42 0.00 0.00 -1.64 0.00 0.00 33.01 32.16 3fat s GLN 128 CO 0.03 -0.28 0.00 0.25 0.50 0.00 0.00 175.29 175.79 3fat n THR 129 N 0.83 0.00 -0.13 -0.34 -2.24 -1.26 -4.80 114.28 106.33 3fat n THR 129 Ca -0.16 -0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.40 3fat n THR 129 Cb 0.57 0.68 0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.47 -5.17 -0.78 4.57 -1.97 -3.41 114.58 108.28 3fat h GLU 130 Ca 0.00 -0.03 -0.61 0.00 -1.18 0.00 0.00 59.36 57.54 3fat h GLU 130 Cb 0.00 -0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 28.35 3fat h GLU 130 CO 0.00 0.31 -0.45 0.42 -1.18 0.00 0.00 179.01 178.11 3fat s ILE 131 N -6.15 5.33 0.67 2.32 1.01 -1.26 -4.95 121.20 118.17 3fat s ILE 131 Ca -0.13 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 3fat s ILE 131 Cb 0.12 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 39.08 3fat s ILE 131 CO 0.72 0.34 1.00 0.00 0.00 0.00 0.00 174.94 177.00 3fat s ALA 132 N 1.05 3.12 -0.17 9.38 0.00 0.07 -4.90 121.76 130.31 3fat s ALA 132 Ca 0.10 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 3fat s ALA 132 Cb -0.14 -2.71 0.11 0.00 0.00 0.00 0.00 23.12 20.39 3fat s ALA 132 CO 0.05 -1.13 0.93 1.52 0.00 0.00 0.00 175.76 177.13 3fat s TYR 133 N -3.21 -0.46 0.02 0.00 -0.85 -1.26 -0.12 117.35 111.47 3fat s TYR 133 Ca 0.58 0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 58.00 3fat s TYR 133 Cb -0.11 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.65 3fat s TYR 133 CO 0.46 -0.38 0.03 0.41 -1.52 0.00 0.00 175.55 174.56 3fat n GLY 134 N 1.12 2.14 3.40 5.49 0.00 -1.05 -4.83 105.19 111.45 3fat n GLY 134 Ca -0.13 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.87 0.45 0.56 2.61 -4.23 -1.24 -0.89 115.64 110.02 3fat s THR 135 Ca 0.01 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 3fat s THR 135 Cb -0.00 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 3fat s THR 135 CO 0.01 0.00 1.25 -0.76 -0.54 0.00 0.00 174.62 174.58 3fat s LEU 136 N -3.46 3.78 0.54 4.79 1.43 -1.26 -1.08 118.68 123.42 3fat s LEU 136 Ca 0.32 2.50 -0.17 0.00 -1.03 0.00 0.00 54.13 55.76 3fat s LEU 136 Cb 0.04 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 3fat s LEU 136 CO 0.17 -1.49 1.01 -1.81 0.23 0.00 0.00 176.35 174.47 3fat s ASP 137 N -1.34 6.32 -1.04 2.29 1.01 0.14 -4.31 116.67 119.74 3fat s ASP 137 Ca 0.73 1.68 -0.03 0.00 0.71 0.00 0.00 52.55 55.64 3fat s ASP 137 Cb -0.34 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.08 3fat s ASP 137 CO 0.38 -0.79 0.43 -1.20 0.21 0.00 0.00 175.17 174.20 3fat n SER 138 N -1.68 -4.64 -0.55 0.27 7.64 -1.26 -4.81 113.62 108.58 3fat n SER 138 Ca 0.07 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.75 3fat n SER 138 Cb 0.54 -3.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 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 -1.28 3.56 0.13 0.23 0.00 -1.26 -1.21 105.19 105.36 3fat n GLY 139 Ca -0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.00 -0.41 1.61 4.64 -1.93 -3.11 113.55 114.34 3fat h SER 140 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3fat h SER 140 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3fat h SER 140 CO 0.00 0.65 -0.21 0.74 -0.87 0.00 0.00 176.83 177.14 3fat h THR 141 N 0.00 1.28 -0.26 2.95 2.02 -1.97 -1.26 112.91 115.67 3fat h THR 141 Ca -0.01 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 3fat h THR 141 Cb 1.18 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 3fat h THR 141 CO 0.08 0.46 0.03 0.50 0.37 0.00 0.00 175.52 176.96 3fat h LYS 142 N 0.69 0.44 -0.78 6.66 3.64 -1.74 -2.92 116.57 122.55 3fat h LYS 142 Ca 0.09 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3fat h LYS 142 Cb 0.78 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 3fat h LYS 142 CO 0.06 0.57 0.51 1.49 -2.27 0.00 0.00 179.45 179.82 3fat h GLU 143 N 0.24 0.89 -0.27 1.90 4.57 -1.46 -1.60 114.58 118.85 3fat h GLU 143 Ca 0.08 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3fat h GLU 143 Cb 0.35 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 3fat h GLU 143 CO 0.01 0.59 -0.11 0.35 -1.18 0.00 0.00 179.01 178.66 3fat h PHE 144 N 0.91 -0.26 -0.36 0.92 3.57 -1.04 -0.18 116.94 120.51 3fat h PHE 144 Ca 0.32 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.70 3fat h PHE 144 Cb 0.12 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3fat h PHE 144 CO -0.00 -0.17 -0.38 0.74 -2.23 0.00 0.00 178.31 176.27 3fat h PHE 145 N -0.06 1.02 -0.35 0.41 0.04 -1.38 -1.02 116.94 115.59 3fat h PHE 145 Ca 0.14 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.62 3fat h PHE 145 Cb 0.27 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3fat h PHE 145 CO -0.30 1.10 0.23 -0.09 -0.60 0.00 0.00 178.31 178.65 3fat h ARG 146 N 0.70 0.41 0.00 1.51 2.43 -0.87 -3.12 114.38 115.45 3fat h ARG 146 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fat h ARG 146 Cb 0.95 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3fat h ARG 146 CO 0.09 0.27 -1.75 0.54 -1.51 0.00 0.00 179.97 177.61 3fat n ARG 147 N -4.49 0.60 -1.66 0.20 5.12 -0.12 -5.00 116.66 111.31 3fat n ARG 147 Ca 0.03 -0.13 -0.41 0.00 -1.93 0.00 0.00 57.85 55.40 3fat n ARG 147 Cb 0.10 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 29.84 3fat n ARG 147 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3fat n SER 148 N -2.27 2.00 -0.49 0.55 2.88 -0.40 -4.89 113.62 111.00 3fat n SER 148 Ca -0.03 1.07 0.06 0.00 -1.33 0.00 0.00 58.87 58.64 3fat n SER 148 Cb 0.55 -1.44 0.06 0.00 -0.75 0.00 0.00 64.21 62.63 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 0.04 0.88 -2.48 -1.46 4.76 -1.26 -4.65 118.16 113.99 3fat n LYS 149 Ca 0.08 -1.30 -0.41 0.00 -2.87 0.00 0.00 58.31 53.81 3fat n LYS 149 Cb 0.40 -1.23 -0.04 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.97 3.84 0.13 -0.18 -1.09 -1.26 -4.93 121.20 116.74 3fat s ILE 150 Ca 0.15 1.54 -0.27 0.00 -2.23 0.00 0.00 60.65 59.84 3fat s ILE 150 Cb 0.10 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 3fat s ILE 150 CO 0.15 0.24 1.61 0.00 -1.23 0.00 0.00 174.94 175.70 3fat h ALA 151 N 5.38 -0.44 -0.87 9.38 0.00 -1.99 -0.07 119.26 130.65 3fat h ALA 151 Ca -0.44 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3fat h ALA 151 Cb 1.21 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 3fat h ALA 151 CO 0.74 -0.83 0.57 -0.24 0.00 0.00 0.00 179.25 179.49 3fat h VAL 152 N -0.44 1.21 0.00 0.00 3.04 -1.99 -1.67 116.25 116.39 3fat h VAL 152 Ca 0.08 -0.40 -0.10 0.00 -1.01 0.00 0.00 66.70 65.27 3fat h VAL 152 Cb 0.57 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 3fat h VAL 152 CO -0.33 0.21 -0.49 1.88 -1.01 0.00 0.00 177.57 177.84 3fat h TYR 153 N 1.16 0.00 -0.40 3.17 0.05 -1.88 -2.14 116.97 116.94 3fat h TYR 153 Ca 0.32 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.95 3fat h TYR 153 Cb -0.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3fat h TYR 153 CO -0.01 0.49 -0.36 0.93 -1.05 0.00 0.00 178.16 178.15 3fat h GLU 154 N 0.00 0.95 -0.44 4.88 5.08 -0.55 -1.19 114.58 123.30 3fat h GLU 154 Ca -0.00 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 3fat h GLU 154 Cb 1.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3fat h GLU 154 CO 0.06 1.14 0.13 -0.22 -1.00 0.00 0.00 179.01 179.13 3fat h LYS 155 N 0.78 0.69 -0.94 2.33 3.64 -1.20 -1.39 116.57 120.48 3fat h LYS 155 Ca 0.07 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3fat h LYS 155 Cb 0.96 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 3fat h LYS 155 CO 0.09 0.68 0.62 0.52 -2.27 0.00 0.00 179.45 179.09 3fat h MET 156 N 0.57 1.24 -0.31 1.90 2.86 -1.28 -2.52 114.93 117.40 3fat h MET 156 Ca 0.14 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3fat h MET 156 Cb 0.28 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3fat h MET 156 CO -0.00 0.82 -0.02 2.35 1.06 0.00 0.00 176.91 181.12 3fat h TRP 157 N 1.28 0.62 -1.00 -0.22 2.91 -0.91 -1.43 115.95 117.21 3fat h TRP 157 Ca 0.35 -0.12 0.08 0.00 1.13 0.00 0.00 58.89 60.33 3fat h TRP 157 Cb -0.15 -0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 28.27 3fat h TRP 157 CO -0.01 0.71 0.64 1.15 -1.03 0.00 0.00 178.44 179.91 3fat h THR 158 N 0.35 1.05 0.43 2.65 2.02 -1.04 -1.06 112.91 117.31 3fat h THR 158 Ca 0.08 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3fat h THR 158 Cb 0.48 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3fat h THR 158 CO 0.02 0.21 -0.21 0.22 0.37 0.00 0.00 175.52 176.13 3fat h TYR 159 N 1.13 -0.54 -0.87 3.16 3.20 -1.33 -3.34 116.97 118.39 3fat h TYR 159 Ca 0.44 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.31 3fat h TYR 159 Cb 0.23 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3fat h TYR 159 CO -0.00 -0.22 0.58 0.52 -1.64 0.00 0.00 178.16 177.40 3fat h MET 160 N -0.86 1.14 0.00 1.82 2.86 -0.83 -1.71 114.93 117.35 3fat h MET 160 Ca -0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3fat h MET 160 Cb 0.56 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3fat h MET 160 CO 0.10 0.75 -0.03 0.07 1.06 0.00 0.00 176.91 178.86 3fat h ARG 161 N 1.17 0.00 0.00 1.72 0.11 -1.33 -2.75 114.38 113.30 3fat h ARG 161 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 3fat h ARG 161 Cb -0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.96 3fat h ARG 161 CO -0.07 0.03 -0.10 -1.13 0.10 0.00 0.00 179.97 178.80 3fat n SER 162 N -3.32 1.75 -4.77 0.08 3.41 -0.93 -5.07 113.62 104.77 3fat n SER 162 Ca -0.02 -2.65 -0.38 0.00 -0.26 0.00 0.00 58.87 55.57 3fat n SER 162 Cb 0.15 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.95 3.19 -0.04 7.33 0.00 -0.69 -5.06 121.76 124.54 3fat s ALA 163 Ca 0.20 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.95 3fat s ALA 163 Cb 0.18 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3fat s ALA 163 CO 0.02 -0.22 -0.03 -1.21 0.00 0.00 0.00 175.76 174.32 3fat s GLU 164 N -2.13 0.66 0.84 0.00 0.41 -1.26 -3.27 118.70 113.95 3fat s GLU 164 Ca 0.53 -0.04 -0.11 0.00 -0.41 0.00 0.00 54.97 54.94 3fat s GLU 164 Cb -0.26 -0.74 0.10 0.00 -1.78 0.00 0.00 34.13 31.44 3fat s GLU 164 CO 0.33 -0.11 1.09 -1.25 -0.49 0.00 0.00 175.26 174.83 3fat s PRO 165 N 1.01 1.71 0.18 0.39 0.04 -1.26 -5.06 135.00 132.02 3fat s PRO 165 Ca -0.10 1.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.68 3fat s PRO 165 Cb -0.14 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 3fat s PRO 165 CO -0.01 -1.99 1.30 0.45 0.04 0.00 0.00 177.00 176.79 3fat n SER 166 N -3.75 1.97 -0.51 6.66 2.88 -1.20 -4.89 113.62 114.78 3fat n SER 166 Ca 0.08 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.88 3fat n SER 166 Cb 0.54 -1.30 0.23 0.00 -0.75 0.00 0.00 64.21 62.93 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 1.91 0.00 -2.92 2.46 0.24 -1.26 -4.93 118.33 113.83 3fat n VAL 167 Ca 0.14 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.34 61.82 3fat n VAL 167 Cb 0.26 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.30 3.63 0.20 6.34 0.08 -1.26 -3.71 117.98 120.95 3fat s PHE 168 Ca 0.26 1.60 0.09 0.00 0.12 0.00 0.00 56.93 59.00 3fat s PHE 168 Cb 0.19 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 3fat s PHE 168 CO 0.46 0.22 -0.17 0.95 -0.10 0.00 0.00 175.22 176.58 3fat s THR 169 N -1.65 1.91 -0.04 0.64 -4.23 -0.24 -4.87 115.64 107.16 3fat s THR 169 Ca 0.49 -2.10 -0.16 0.00 -1.18 0.00 0.00 61.69 58.74 3fat s THR 169 Cb -0.17 -1.99 -0.32 0.00 1.34 0.00 0.00 72.50 71.36 3fat s THR 169 CO 0.22 -0.42 0.80 0.03 -0.54 0.00 0.00 174.62 174.70 3fat h ARG 170 N 2.86 0.39 -4.33 3.99 3.08 -1.94 0.41 114.38 118.84 3fat h ARG 170 Ca -0.41 -0.66 -0.16 0.00 0.07 0.00 0.00 59.98 58.82 3fat h ARG 170 Cb 1.22 0.25 -0.15 0.00 0.08 0.00 0.00 29.97 31.37 3fat h ARG 170 CO 0.56 1.32 -0.63 0.95 -1.07 0.00 0.00 179.97 181.10 3fat s THR 171 N -2.53 0.13 0.27 2.04 -4.23 -1.26 -4.77 115.64 105.29 3fat s THR 171 Ca -0.14 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3fat s THR 171 Cb 0.04 -1.90 0.08 0.00 1.34 0.00 0.00 72.50 72.06 3fat s THR 171 CO 0.86 -0.58 1.73 0.71 -0.54 0.00 0.00 174.62 176.80 3fat h THR 172 N 2.90 1.25 -0.91 3.99 1.35 -1.95 -2.33 112.91 117.21 3fat h THR 172 Ca -0.35 -1.18 0.05 0.00 -0.55 0.00 0.00 66.41 64.39 3fat h THR 172 Cb 1.19 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 68.76 3fat h THR 172 CO 0.60 0.39 0.60 0.00 -0.25 0.00 0.00 175.52 176.85 3fat h ALA 173 N 1.29 1.47 -0.00 6.62 0.00 -1.97 0.96 119.26 127.63 3fat h ALA 173 Ca 0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3fat h ALA 173 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fat h ALA 173 CO 0.04 0.42 -0.78 0.93 0.00 0.00 0.00 179.25 179.86 3fat h GLU 174 N 1.09 0.05 -0.32 0.00 5.08 -1.90 -1.37 114.58 117.22 3fat h GLU 174 Ca 0.38 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 3fat h GLU 174 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3fat h GLU 174 CO -0.13 0.80 -0.02 0.78 -1.00 0.00 0.00 179.01 179.44 3fat h GLY 175 N 2.18 0.62 1.35 -3.84 0.00 -0.77 -1.33 103.07 101.28 3fat h GLY 175 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3fat h GLY 175 CO 0.11 0.43 0.16 -2.08 0.00 0.00 0.00 176.54 175.16 3fat h VAL 176 N 0.37 1.22 -0.47 4.60 2.07 -0.77 -1.61 116.25 121.66 3fat h VAL 176 Ca 0.09 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 3fat h VAL 176 Cb 0.48 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3fat h VAL 176 CO 0.02 0.28 -0.12 0.00 0.02 0.00 0.00 177.57 177.77 3fat h ALA 177 N 1.38 0.90 -0.49 1.67 0.00 -1.06 -1.74 119.26 119.92 3fat h ALA 177 Ca 0.18 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3fat h ALA 177 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3fat h ALA 177 CO -0.01 0.63 -0.08 -0.09 0.00 0.00 0.00 179.25 179.71 3fat h ARG 178 N 0.78 0.88 -0.55 0.00 2.43 -0.76 0.15 114.38 117.31 3fat h ARG 178 Ca 0.13 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3fat h ARG 178 Cb 0.64 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3fat h ARG 178 CO 0.04 0.92 0.30 0.28 -1.51 0.00 0.00 179.97 180.00 3fat h VAL 179 N 0.80 1.19 -0.42 0.20 2.07 -1.10 -1.08 116.25 117.91 3fat h VAL 179 Ca 0.14 -0.48 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 3fat h VAL 179 Cb 0.58 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3fat h VAL 179 CO 0.04 0.20 -0.34 0.03 0.02 0.00 0.00 177.57 177.52 3fat h ARG 180 N 0.73 0.96 0.00 1.57 3.08 -0.95 -3.26 114.38 116.52 3fat h ARG 180 Ca 0.19 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3fat h ARG 180 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3fat h ARG 180 CO -0.03 1.15 -0.29 0.87 -1.07 0.00 0.00 179.97 180.59 3fat h LYS 181 N 0.80 0.00 -0.12 0.04 1.57 -0.67 -3.27 116.57 114.92 3fat h LYS 181 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3fat h LYS 181 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3fat h LYS 181 CO 0.09 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.40 3fat n SER 182 N -2.53 1.23 -3.14 0.86 7.64 -0.41 -4.92 113.62 112.36 3fat n SER 182 Ca 0.04 -1.63 -0.20 0.00 1.01 0.00 0.00 58.87 58.09 3fat n SER 182 Cb 0.48 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.03 -3.14 0.00 1.43 5.02 -1.23 -1.14 118.16 119.13 3fat n LYS 183 Ca 0.16 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3fat n LYS 183 Cb 0.26 -5.16 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 -1.07 0.55 1.11 0.72 0.00 -1.26 -4.96 105.19 100.28 3fat n GLY 184 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.73 2.43 -4.02 1.61 4.76 -0.29 -4.84 118.16 116.08 3fat n LYS 185 Ca 0.00 -2.18 -0.17 0.00 -2.87 0.00 0.00 58.31 53.09 3fat n LYS 185 Cb 0.00 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 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 -1.37 0.38 0.06 2.13 5.36 -1.26 -0.75 117.98 122.53 3fat s PHE 186 Ca 0.40 -0.05 0.08 0.00 -0.96 0.00 0.00 56.93 56.40 3fat s PHE 186 Cb 0.22 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.49 3fat s PHE 186 CO 0.30 -0.09 -0.20 0.00 -1.46 0.00 0.00 175.22 173.77 3fat s ALA 187 N 0.61 2.54 -0.12 11.12 0.00 0.82 -4.55 121.76 132.18 3fat s ALA 187 Ca -0.06 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.67 3fat s ALA 187 Cb -0.10 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3fat s ALA 187 CO -0.01 0.57 -0.22 0.12 0.00 0.00 0.00 175.76 176.22 3fat s PHE 188 N -0.96 2.54 -0.41 0.00 5.36 -0.49 -2.53 117.98 121.48 3fat s PHE 188 Ca 0.15 -1.19 -0.18 0.00 -0.96 0.00 0.00 56.93 54.75 3fat s PHE 188 Cb -0.10 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 3fat s PHE 188 CO 0.06 -0.53 0.48 -0.51 -1.46 0.00 0.00 175.22 173.27 3fat s LEU 189 N 0.66 4.70 0.21 6.12 1.43 -0.07 -0.90 118.68 130.82 3fat s LEU 189 Ca -0.11 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 3fat s LEU 189 Cb -0.16 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3fat s LEU 189 CO 0.02 -0.60 0.26 -1.48 0.23 0.00 0.00 176.35 174.79 3fat s LEU 190 N 2.30 0.89 0.46 1.79 2.34 -0.95 -4.36 118.68 121.16 3fat s LEU 190 Ca 0.15 -1.14 -0.22 0.00 0.06 0.00 0.00 54.13 52.98 3fat s LEU 190 Cb -0.16 0.96 -0.08 0.00 -0.56 0.00 0.00 46.19 46.35 3fat s LEU 190 CO 0.15 -0.94 1.08 -1.61 -1.06 0.00 0.00 176.35 173.96 3fat s GLU 191 N -4.08 3.85 0.39 1.48 2.02 -1.26 -0.01 118.70 121.10 3fat s GLU 191 Ca 0.29 1.53 0.13 0.00 0.02 0.00 0.00 54.97 56.94 3fat s GLU 191 Cb 0.04 -2.29 0.96 0.00 0.10 0.00 0.00 34.13 32.93 3fat s GLU 191 CO 0.08 -0.42 1.89 0.66 0.02 0.00 0.00 175.26 177.49 3fat h SER 192 N 1.92 0.51 -0.32 -0.19 4.64 -1.02 -1.74 113.55 117.35 3fat h SER 192 Ca -0.49 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 3fat h SER 192 Cb 1.23 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 3fat h SER 192 CO 0.60 0.25 0.07 0.71 -0.87 0.00 0.00 176.83 177.59 3fat h THR 193 N 0.53 0.86 -0.20 2.95 1.35 -1.89 0.04 112.91 116.54 3fat h THR 193 Ca 0.42 -0.06 -0.18 0.00 -0.55 0.00 0.00 66.41 66.04 3fat h THR 193 Cb 0.85 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3fat h THR 193 CO -0.17 0.03 -0.58 0.24 -0.25 0.00 0.00 175.52 174.79 3fat h MET 194 N 0.19 0.75 -0.33 4.72 2.86 -1.72 -2.77 114.93 118.62 3fat h MET 194 Ca 0.15 -0.54 0.03 0.00 -2.06 0.00 0.00 59.70 57.27 3fat h MET 194 Cb 0.15 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3fat h MET 194 CO -0.19 1.16 0.15 -0.97 1.06 0.00 0.00 176.91 178.12 3fat h ASN 195 N 0.47 0.21 -0.06 1.22 -0.73 -1.13 -1.80 115.58 113.77 3fat h ASN 195 Ca -0.02 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 3fat h ASN 195 Cb 1.21 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.77 3fat h ASN 195 CO 0.13 0.16 -0.43 -0.33 -0.37 0.00 0.00 177.43 176.58 3fat h GLU 196 N 0.32 0.59 -0.20 6.67 5.08 -1.05 -1.87 114.58 124.13 3fat h GLU 196 Ca 0.14 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3fat h GLU 196 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3fat h GLU 196 CO -0.11 0.91 0.08 -0.92 -1.00 0.00 0.00 179.01 177.97 3fat h TYR 197 N 0.48 0.30 -0.25 4.33 3.20 -1.27 -3.14 116.97 120.63 3fat h TYR 197 Ca 0.04 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 3fat h TYR 197 Cb 0.95 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3fat h TYR 197 CO 0.04 0.35 -0.35 0.82 -1.64 0.00 0.00 178.16 177.37 3fat h ILE 198 N 0.16 1.29 0.00 1.81 2.04 -1.25 -3.01 117.51 118.55 3fat h ILE 198 Ca 0.07 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 3fat h ILE 198 Cb 0.17 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3fat h ILE 198 CO -0.01 0.47 -0.13 -0.08 0.00 0.00 0.00 178.15 178.40 3fat h GLU 199 N 0.45 0.00 -0.53 2.37 4.81 -1.30 -2.78 114.58 117.61 3fat h GLU 199 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fat h GLU 199 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3fat h GLU 199 CO 0.07 0.13 0.00 1.04 -0.73 0.00 0.00 179.01 179.52 3fat n GLN 200 N -4.10 2.35 -4.33 1.92 1.13 -1.14 -4.79 117.38 108.43 3fat n GLN 200 Ca -0.02 -2.08 -0.22 0.00 -1.94 0.00 0.00 57.00 52.74 3fat n GLN 200 Cb 0.21 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 28.98 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 -1.30 1.25 0.60 -1.09 0.52 -1.05 -4.01 118.95 113.87 3fat s ARG 201 Ca 0.39 -1.37 -0.19 0.00 -0.52 0.00 0.00 55.73 54.04 3fat s ARG 201 Cb 0.21 -1.35 -0.05 0.00 0.52 0.00 0.00 34.95 34.28 3fat s ARG 201 CO 0.28 0.28 0.98 1.63 0.02 0.00 0.00 175.30 178.48 3fat n LYS 202 N 0.42 0.92 -0.09 3.54 5.02 -1.26 -1.13 118.16 125.58 3fat n LYS 202 Ca -0.14 0.36 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 3fat n LYS 202 Cb 0.56 -2.18 0.04 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.00 1.37 -3.79 1.97 -0.04 -1.26 -4.97 135.00 127.29 3fat n PRO 203 Ca 0.14 -0.34 -0.27 0.00 -0.04 0.00 0.00 63.50 62.98 3fat n PRO 203 Cb 0.47 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.92 1.80 -4.54 0.00 5.75 -1.26 -5.00 116.55 110.38 3fat n ASP 205 Ca -0.03 -1.62 -0.26 0.00 -0.01 0.00 0.00 54.79 52.88 3fat n ASP 205 Cb 0.56 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.67 2.24 0.01 2.12 -4.23 -1.26 -0.77 115.64 113.08 3fat s THR 206 Ca 0.05 -2.21 -0.28 0.00 -1.18 0.00 0.00 61.69 58.06 3fat s THR 206 Cb 0.03 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.31 3fat s THR 206 CO 0.04 -0.21 0.67 0.00 -0.54 0.00 0.00 174.62 174.58 3fat s MET 207 N -3.61 1.11 0.08 3.99 0.23 -0.62 -4.67 119.30 115.81 3fat s MET 207 Ca 0.32 0.02 -0.24 0.00 -1.03 0.00 0.00 55.69 54.76 3fat s MET 207 Cb 0.02 0.52 -0.06 0.00 -1.53 0.00 0.00 34.83 33.78 3fat s MET 207 CO 0.16 -0.40 0.74 0.21 -2.03 0.00 0.00 175.02 173.70 3fat s LYS 208 N -2.02 4.48 -0.03 3.16 2.20 -1.26 -1.86 119.74 124.41 3fat s LYS 208 Ca -0.07 1.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.62 3fat s LYS 208 Cb -0.00 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 3fat s LYS 208 CO 0.02 0.40 -0.17 0.14 -0.36 0.00 0.00 175.35 175.39 3fat s VAL 209 N -0.47 1.36 0.00 4.02 -7.23 -0.73 -5.00 120.40 112.35 3fat s VAL 209 Ca 0.36 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 3fat s VAL 209 Cb -0.21 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3fat s VAL 209 CO 0.23 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 3fat n GLY 210 N 2.97 -1.40 3.96 2.32 0.00 -1.20 -4.22 105.19 107.62 3fat n GLY 210 Ca -0.17 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 3fat n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fat s GLY 211 N -2.92 1.75 0.52 -0.02 0.00 -1.26 -4.91 107.32 100.49 3fat s GLY 211 Ca 0.00 -1.36 -0.21 0.00 0.00 0.00 0.00 44.72 43.15 3fat s GLY 211 CO 0.00 -0.76 1.15 -1.31 0.00 0.00 0.00 173.10 172.19 3fat s ASN 212 N -4.75 5.82 0.36 1.64 0.01 -1.26 -4.80 114.94 111.96 3fat s ASN 212 Ca 0.68 2.24 0.20 0.00 -0.71 0.00 0.00 52.86 55.27 3fat s ASN 212 Cb -0.06 -2.59 0.34 0.00 0.41 0.00 0.00 41.25 39.36 3fat s ASN 212 CO 0.48 -1.16 1.58 -0.07 -1.51 0.00 0.00 177.10 176.42 3fat h LEU 213 N 1.45 0.00 0.00 0.60 3.38 -1.04 -3.48 115.31 116.22 3fat h LEU 213 Ca -0.50 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 3fat h LEU 213 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3fat h LEU 213 CO 0.58 0.29 0.02 -0.90 0.09 0.00 0.00 178.44 178.52 3fat n ASP 214 N -3.21 -0.79 -3.66 -0.43 5.68 -1.26 -4.94 116.55 107.94 3fat n ASP 214 Ca 0.02 -1.76 -0.19 0.00 -0.50 0.00 0.00 54.79 52.36 3fat n ASP 214 Cb 0.61 1.38 -0.17 0.00 -1.14 0.00 0.00 41.12 41.80 3fat n ASP 214 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3fat s SER 215 N -1.92 1.05 0.00 -1.12 0.15 -1.26 -4.13 113.70 106.46 3fat s SER 215 Ca 0.10 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3fat s SER 215 Cb -0.01 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 3fat s SER 215 CO 0.07 -0.26 0.00 2.29 1.20 0.00 0.00 173.24 176.54 3fat n LYS 216 N 5.31 0.00 -3.93 5.44 2.85 -0.19 -5.01 118.16 122.63 3fat n LYS 216 Ca -0.04 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.12 3fat n LYS 216 Cb 0.50 0.00 -0.06 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 -0.24 0.40 0.01 2.58 0.00 -1.26 -1.25 107.32 107.57 3fat s GLY 217 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 3fat s GLY 217 CO 0.00 -0.74 0.27 -0.19 0.00 0.00 0.00 173.10 172.44 3fat s TYR 218 N -3.96 3.57 0.11 1.90 2.02 -0.61 -1.39 117.35 119.00 3fat s TYR 218 Ca 0.16 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 3fat s TYR 218 Cb 0.02 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3fat s TYR 218 CO 0.00 0.61 -0.09 0.20 -1.57 0.00 0.00 175.55 174.70 3fat s GLY 219 N -1.75 0.87 0.03 0.71 0.00 -1.07 -0.86 107.32 105.26 3fat s GLY 219 Ca 0.28 -1.33 -0.27 0.00 0.00 0.00 0.00 44.72 43.40 3fat s GLY 219 CO 0.17 -1.42 0.87 0.14 0.00 0.00 0.00 173.10 172.85 3fat s VAL 220 N -3.11 4.76 0.07 1.40 1.01 -1.26 -4.60 120.40 118.66 3fat s VAL 220 Ca 0.11 1.84 0.06 0.00 0.00 0.00 0.00 61.98 63.99 3fat s VAL 220 Cb 0.02 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3fat s VAL 220 CO -0.02 0.27 -0.10 0.00 0.00 0.00 0.00 175.10 175.26 3fat s ALA 221 N 0.40 2.91 0.05 5.51 0.00 -0.85 -0.37 121.76 129.42 3fat s ALA 221 Ca 0.44 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3fat s ALA 221 Cb -0.21 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3fat s ALA 221 CO 0.25 0.62 -0.05 0.95 0.00 0.00 0.00 175.76 177.53 3fat s THR 222 N -1.11 0.41 0.55 0.00 -4.23 -0.45 -0.74 115.64 110.08 3fat s THR 222 Ca 0.19 -1.42 -0.20 0.00 -1.18 0.00 0.00 61.69 59.09 3fat s THR 222 Cb -0.11 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.67 3fat s THR 222 CO 0.11 -0.67 1.15 -2.84 -0.54 0.00 0.00 174.62 171.82 3fat s PRO 223 N -2.64 3.32 0.29 3.99 0.02 -1.26 -1.16 135.00 137.56 3fat s PRO 223 Ca -0.02 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.37 3fat s PRO 223 Cb -0.02 -2.02 -0.14 0.00 0.02 0.00 0.00 34.50 32.34 3fat s PRO 223 CO -0.03 -0.89 1.15 1.63 -0.33 0.00 0.00 177.00 178.53 3fat n LYS 224 N -1.29 1.64 -0.99 5.54 4.76 -1.26 -1.92 118.16 124.63 3fat n LYS 224 Ca 0.12 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 3fat n LYS 224 Cb 0.50 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 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 1.28 0.79 3.77 0.72 0.00 -1.26 -5.01 105.19 105.47 3fat n GLY 225 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.60 6.83 0.00 1.61 0.15 -0.81 -4.91 113.70 113.98 3fat s SER 226 Ca 0.00 2.63 0.21 0.00 0.70 0.00 0.00 55.95 59.50 3fat s SER 226 Cb 0.00 -2.65 0.95 0.00 -1.71 0.00 0.00 66.02 62.62 3fat s SER 226 CO 0.00 -0.48 1.69 -1.54 1.20 0.00 0.00 173.24 174.11 3fat n SER 227 N 0.84 0.00 0.01 5.45 3.41 -1.26 -3.04 113.62 119.02 3fat n SER 227 Ca -0.00 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.12 3fat n SER 227 Cb 0.42 -0.45 0.29 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.45 0.45 0.08 1.04 4.77 -1.26 -4.45 117.00 116.17 3fat n LEU 228 Ca 0.06 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3fat n LEU 228 Cb 0.23 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3fat n LEU 228 CO 0.19 0.09 0.66 -0.09 -1.33 0.00 0.00 177.39 176.92 3fat h ARG 229 N 0.00 -0.46 -0.13 3.23 2.43 -1.91 -0.93 114.38 116.61 3fat h ARG 229 Ca 0.00 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3fat h ARG 229 Cb 0.52 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3fat h ARG 229 CO 0.00 -0.31 -0.23 1.15 -1.51 0.00 0.00 179.97 179.07 3fat h THR 230 N -0.47 1.37 -0.91 0.20 2.02 -1.85 -1.75 112.91 111.52 3fat h THR 230 Ca 0.05 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 65.82 3fat h THR 230 Cb 0.54 2.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 3fat h THR 230 CO -0.23 0.44 0.59 -0.65 0.37 0.00 0.00 175.52 176.04 3fat h PRO 231 N -0.02 0.96 -0.40 6.66 0.11 -1.80 -0.31 132.00 137.20 3fat h PRO 231 Ca 0.01 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3fat h PRO 231 Cb 0.81 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3fat h PRO 231 CO 0.05 0.64 0.05 0.28 -0.21 0.00 0.00 178.00 178.81 3fat h VAL 232 N 0.99 1.25 -0.41 3.15 2.07 -1.08 -1.12 116.25 121.09 3fat h VAL 232 Ca 0.40 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3fat h VAL 232 Cb 0.27 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3fat h VAL 232 CO -0.16 0.31 0.20 -1.13 0.02 0.00 0.00 177.57 176.81 3fat h ASN 233 N 0.52 0.53 0.21 0.57 -1.24 -0.62 -1.78 115.58 113.77 3fat h ASN 233 Ca 0.12 -0.12 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 3fat h ASN 233 Cb 0.40 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 3fat h ASN 233 CO 0.01 0.50 -0.35 -0.07 -1.29 0.00 0.00 177.43 176.23 3fat h LEU 234 N 0.52 0.21 -0.52 0.34 3.38 -1.01 -2.63 115.31 115.60 3fat h LEU 234 Ca 0.14 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3fat h LEU 234 Cb 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fat h LEU 234 CO -0.02 0.55 -0.03 0.00 0.09 0.00 0.00 178.44 179.04 3fat h ALA 235 N 1.46 0.71 -0.43 1.53 0.00 -0.88 -1.27 119.26 120.38 3fat h ALA 235 Ca 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3fat h ALA 235 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3fat h ALA 235 CO 0.05 0.55 0.12 0.28 0.00 0.00 0.00 179.25 180.25 3fat h VAL 236 N 0.81 1.23 -0.54 0.00 2.07 -1.11 -0.07 116.25 118.63 3fat h VAL 236 Ca 0.14 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3fat h VAL 236 Cb 0.57 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3fat h VAL 236 CO 0.03 0.27 -0.02 -0.07 0.02 0.00 0.00 177.57 177.81 3fat h LEU 237 N 0.56 0.92 -0.11 2.57 3.38 -1.43 -0.72 115.31 120.48 3fat h LEU 237 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3fat h LEU 237 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fat h LEU 237 CO -0.00 0.99 0.04 0.50 0.09 0.00 0.00 178.44 180.06 3fat h LYS 238 N 0.86 0.16 -0.99 1.13 3.64 -1.00 -0.73 116.57 119.65 3fat h LYS 238 Ca 0.16 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3fat h LYS 238 Cb 0.54 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3fat h LYS 238 CO 0.03 0.26 0.65 -0.07 -2.27 0.00 0.00 179.45 178.05 3fat h LEU 239 N 0.02 1.09 0.12 5.20 3.38 -0.87 -0.99 115.31 123.25 3fat h LEU 239 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fat h LEU 239 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3fat h LEU 239 CO -0.00 0.75 -0.06 -1.28 0.09 0.00 0.00 178.44 177.94 3fat h SER 240 N 1.27 -0.13 1.04 -0.43 0.87 -0.88 -1.25 113.55 114.04 3fat h SER 240 Ca 0.39 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3fat h SER 240 Cb -0.03 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3fat h SER 240 CO -0.11 -0.06 0.00 -0.33 -0.53 0.00 0.00 176.83 175.79 3fat h GLU 241 N -0.19 0.00 -0.01 2.24 5.08 -0.84 -2.48 114.58 118.38 3fat h GLU 241 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3fat h GLU 241 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3fat h GLU 241 CO 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.86 3fat n ALA 242 N -1.90 2.92 -0.79 3.43 0.00 -0.40 -4.93 120.51 118.83 3fat n ALA 242 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3fat n ALA 242 Cb 0.31 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.29 0.82 0.27 0.00 0.00 -0.93 -4.94 105.19 101.69 3fat n GLY 243 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 1.27 -0.63 1.61 2.07 -1.45 -1.38 116.25 117.74 3fat h VAL 244 Ca 0.00 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 3fat h VAL 244 Cb 0.00 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3fat h VAL 244 CO 0.00 0.43 0.22 -0.07 0.02 0.00 0.00 177.57 178.17 3fat h LEU 245 N 0.79 0.86 -0.07 2.57 3.38 -1.84 -0.71 115.31 120.30 3fat h LEU 245 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fat h LEU 245 Cb 0.65 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fat h LEU 245 CO 0.04 0.79 0.04 0.44 0.09 0.00 0.00 178.44 179.85 3fat h ASP 246 N 0.92 0.07 -0.66 -0.43 3.32 -1.82 -0.84 116.42 116.97 3fat h ASP 246 Ca 0.21 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.33 3fat h ASP 246 Cb 0.22 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 3fat h ASP 246 CO -0.01 0.05 0.35 0.50 -1.72 0.00 0.00 179.24 178.41 3fat h LYS 247 N 0.09 0.61 -0.50 3.56 3.64 -0.72 -1.21 116.57 122.04 3fat h LYS 247 Ca 0.03 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3fat h LYS 247 Cb -0.01 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3fat h LYS 247 CO -0.01 0.40 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.32 3fat h LEU 248 N 0.62 1.03 -0.33 5.20 3.38 -0.95 -1.67 115.31 122.59 3fat h LEU 248 Ca 0.31 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3fat h LEU 248 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3fat h LEU 248 CO -0.22 1.18 0.08 0.50 0.09 0.00 0.00 178.44 180.07 3fat h LYS 249 N 0.88 0.52 -0.51 1.13 1.63 -0.78 -1.86 116.57 117.58 3fat h LYS 249 Ca 0.12 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3fat h LYS 249 Cb 0.76 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 3fat h LYS 249 CO 0.06 0.58 0.33 -0.97 -3.45 0.00 0.00 179.45 176.01 3fat h ASN 250 N 0.37 0.59 -0.01 4.20 -0.73 -1.21 -1.85 115.58 116.94 3fat h ASN 250 Ca 0.10 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.25 3fat h ASN 250 Cb 0.30 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 3fat h ASN 250 CO 0.00 0.44 -0.02 0.50 -0.37 0.00 0.00 177.43 177.99 3fat h LYS 251 N 0.69 -0.02 0.00 6.67 3.64 -1.13 -1.41 116.57 125.01 3fat h LYS 251 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3fat h LYS 251 Cb -0.06 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3fat h LYS 251 CO -0.04 -0.01 -0.50 0.91 -2.27 0.00 0.00 179.45 177.53 3fat n TRP 252 N -5.12 0.43 -0.02 1.91 7.02 -0.71 -3.55 117.44 117.40 3fat n TRP 252 Ca -0.06 0.13 0.05 0.00 -1.02 0.00 0.00 57.50 56.60 3fat n TRP 252 Cb 0.05 -0.58 0.13 0.00 -2.42 0.00 0.00 31.31 28.49 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 -1.95 0.35 -1.67 -5.99 8.01 -0.70 -4.88 117.44 110.60 3fat n TRP 253 Ca 0.04 -0.38 -0.47 0.00 -1.31 0.00 0.00 57.50 55.39 3fat n TRP 253 Cb 0.41 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.31 29.65 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 0.53 2.29 -2.82 -5.99 9.36 -0.53 -4.89 117.16 115.11 3fat n TYR 254 Ca 0.10 0.18 -0.43 0.00 3.32 0.00 0.00 57.90 61.08 3fat n TYR 254 Cb 0.39 -2.58 -0.04 0.00 -0.63 0.00 0.00 39.34 36.48 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 1.88 6.35 -0.02 2.98 3.68 -1.26 -4.86 116.67 125.42 3fat s ASP 255 Ca 0.83 -0.30 0.07 0.00 2.13 0.00 0.00 52.55 55.28 3fat s ASP 255 Cb -0.68 -2.44 0.23 0.00 -1.45 0.00 0.00 42.92 38.57 3fat s ASP 255 CO 0.42 -1.24 1.12 0.29 0.13 0.00 0.00 175.17 175.90 3fat n LYS 256 N 7.51 1.74 -2.98 4.34 5.02 -1.26 -4.90 118.16 127.63 3fat n LYS 256 Ca 0.02 -0.92 -0.18 0.00 -2.02 0.00 0.00 58.31 55.21 3fat n LYS 256 Cb 0.48 -1.32 0.04 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.74 -0.25 0.31 0.72 0.00 -1.26 -4.87 105.19 100.58 3fat n GLY 257 Ca 0.08 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.35 0.00 0.00 1.61 5.08 -1.91 -3.52 114.58 114.49 3fat h GLU 258 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3fat h GLU 258 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3fat h GLU 258 CO 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.46