#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isr s TYR -5 N 0.00 3.73 0.00 1.47 2.02 -1.26 -5.02 117.35 118.29 3isr s TYR -5 Ca 0.00 1.33 -0.22 0.00 -0.37 0.00 0.00 57.07 57.81 3isr s TYR -5 Cb 0.00 -2.69 0.05 0.00 -0.40 0.00 0.00 41.96 38.92 3isr s TYR -5 CO 0.00 0.35 0.49 -0.59 -1.57 0.00 0.00 175.55 174.23 3isr s PHE -4 N -0.27 -0.40 0.06 2.71 -0.71 -1.26 -1.88 117.98 116.23 3isr s PHE -4 Ca 0.34 0.56 0.02 0.00 -1.04 0.00 0.00 56.93 56.81 3isr s PHE -4 Cb -0.19 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 3isr s PHE -4 CO 0.20 -0.55 0.09 1.14 -1.34 0.00 0.00 175.22 174.76 3isr s GLN -3 N -1.78 2.99 -0.04 1.99 0.00 -0.75 -4.92 119.66 117.15 3isr s GLN -3 Ca -0.09 -0.62 0.06 0.00 -0.00 0.00 0.00 55.36 54.71 3isr s GLN -3 Cb -0.02 -2.79 -0.02 0.00 0.00 0.00 0.00 33.01 30.18 3isr s GLN -3 CO 0.03 0.59 -0.21 -1.12 0.00 0.00 0.00 175.29 174.58 3isr s SER -2 N -2.26 3.42 -0.01 12.60 0.01 -1.26 -0.87 113.70 125.34 3isr s SER -2 Ca 0.29 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.18 3isr s SER -2 Cb -0.12 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.53 3isr s SER -2 CO 0.21 0.32 -0.02 0.20 0.41 0.00 0.00 173.24 174.36 3isr s ASN -1 N -0.61 0.37 0.39 2.44 0.01 -0.11 -5.00 114.94 112.44 3isr s ASN -1 Ca 0.09 -0.05 0.08 0.00 -0.71 0.00 0.00 52.86 52.27 3isr s ASN -1 Cb -0.11 -0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 3isr s ASN -1 CO -0.00 0.01 0.20 0.00 -1.51 0.00 0.00 177.10 175.80 3isr s ALA 0 N 0.14 3.64 -0.28 0.60 0.00 -1.26 -1.43 121.76 123.16 3isr s ALA 0 Ca -0.01 -2.01 -0.19 0.00 0.00 0.00 0.00 51.96 49.75 3isr s ALA 0 Cb -0.04 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.61 3isr s ALA 0 CO -0.00 -0.13 0.81 0.21 0.00 0.00 0.00 175.76 176.65 3isr s LYS 2 N -3.93 0.63 0.08 0.00 2.20 -1.26 -4.99 119.74 112.47 3isr s LYS 2 Ca 0.41 0.95 0.02 0.00 -0.36 0.00 0.00 55.97 56.99 3isr s LYS 2 Cb 0.01 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 3isr s LYS 2 CO 0.23 -0.11 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.98 3isr s PHE 3 N 1.07 0.80 -0.09 4.03 0.08 0.87 -1.52 117.98 123.22 3isr s PHE 3 Ca -0.05 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.28 3isr s PHE 3 Cb -0.05 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 3isr s PHE 3 CO -0.12 -0.13 -0.20 0.21 -0.10 0.00 0.00 175.22 174.89 3isr s LYS 4 N -2.94 2.90 0.06 0.44 2.20 -0.39 -0.33 119.74 121.68 3isr s LYS 4 Ca 0.03 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.88 3isr s LYS 4 Cb -0.01 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 3isr s LYS 4 CO -0.03 0.32 -0.13 0.96 -0.36 0.00 0.00 175.35 176.12 3isr s ILE 5 N 0.01 0.99 -0.11 5.43 -4.36 -0.31 -0.25 121.20 122.61 3isr s ILE 5 Ca -0.07 -1.19 -0.20 0.00 -0.26 0.00 0.00 60.65 58.92 3isr s ILE 5 Cb -0.15 -0.96 0.05 0.00 1.25 0.00 0.00 42.46 42.65 3isr s ILE 5 CO 0.05 -0.21 0.50 -2.28 0.24 0.00 0.00 174.94 173.24 3isr s HIS 6 N -1.20 -0.49 -0.05 1.37 2.46 -0.31 -1.61 115.29 115.46 3isr s HIS 6 Ca -0.03 1.02 -0.06 0.00 0.47 0.00 0.00 55.06 56.46 3isr s HIS 6 Cb -0.09 0.22 0.01 0.00 -0.13 0.00 0.00 32.58 32.59 3isr s HIS 6 CO 0.02 -0.39 0.17 -1.54 -2.47 0.00 0.00 174.74 170.53 3isr s SER 7 N -0.53 -0.14 0.02 9.88 1.04 0.61 -0.93 113.70 123.64 3isr s SER 7 Ca -0.06 0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3isr s SER 7 Cb -0.03 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 3isr s SER 7 CO 0.04 -0.12 -0.06 1.51 0.98 0.00 0.00 173.24 175.59 3isr s ASP 8 N -0.19 0.64 0.02 7.02 -4.77 0.47 -0.22 116.67 119.65 3isr s ASP 8 Ca -0.03 -0.29 0.03 0.00 -3.30 0.00 0.00 52.55 48.96 3isr s ASP 8 Cb -0.02 -0.01 -0.02 0.00 -1.09 0.00 0.00 42.92 41.78 3isr s ASP 8 CO 0.01 -0.07 -0.08 -0.63 0.70 0.00 0.00 175.17 175.10 3isr s ILE 9 N -0.69 0.61 -0.06 2.11 1.01 -1.26 -1.13 121.20 121.79 3isr s ILE 9 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3isr s ILE 9 Cb -0.05 -0.60 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 3isr s ILE 9 CO 0.00 -0.12 -0.21 -0.89 0.00 0.00 0.00 174.94 173.71 3isr s THR 10 N -0.83 1.79 -0.05 2.92 2.01 -0.20 -4.35 115.64 116.94 3isr s THR 10 Ca -0.03 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.12 3isr s THR 10 Cb -0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 3isr s THR 10 CO 0.00 0.50 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.93 3isr s TYR 11 N 0.07 1.96 -0.17 4.92 2.02 -0.48 -0.37 117.35 125.31 3isr s TYR 11 Ca -0.08 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 55.90 3isr s TYR 11 Cb -0.14 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 3isr s TYR 11 CO 0.04 -0.17 0.39 1.14 -1.57 0.00 0.00 175.55 175.38 3isr s GLN 12 N -0.06 4.24 0.43 -0.62 -2.07 -0.43 -2.20 119.66 118.95 3isr s GLN 12 Ca -0.03 0.23 0.08 0.00 -1.82 0.00 0.00 55.36 53.82 3isr s GLN 12 Cb -0.12 -3.48 -0.01 0.00 -1.09 0.00 0.00 33.01 28.31 3isr s GLN 12 CO 0.02 0.09 0.43 0.08 -1.32 0.00 0.00 175.29 174.60 3isr s VAL 13 N 0.90 2.65 0.80 3.63 1.01 0.68 -1.71 120.40 128.35 3isr s VAL 13 Ca 0.20 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 3isr s VAL 13 Cb -0.14 -2.92 -0.16 0.00 0.00 0.00 0.00 36.38 33.16 3isr s VAL 13 CO 0.07 0.00 -1.21 -1.54 0.00 0.00 0.00 175.10 172.42 3isr n SER 15 N -1.65 -2.56 -4.64 3.32 3.41 -1.17 -0.96 113.62 109.37 3isr n SER 15 Ca 0.05 0.01 -0.51 0.00 -0.26 0.00 0.00 58.87 58.16 3isr n SER 15 Cb 0.61 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 3isr n SER 15 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3isr n PRO 16 N 2.00 1.73 -4.36 4.33 -0.04 -1.26 -3.92 135.00 133.47 3isr n PRO 16 Ca -0.02 0.61 -0.21 0.00 -0.04 0.00 0.00 63.50 63.84 3isr n PRO 16 Cb 0.60 -2.51 -0.16 0.00 -0.04 0.00 0.00 33.50 31.38 3isr n PRO 16 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3isr s THR 17 N 4.77 0.77 -0.14 0.52 2.01 -0.35 -4.56 115.64 118.65 3isr s THR 17 Ca 0.98 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 3isr s THR 17 Cb -0.80 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3isr s THR 17 CO 0.54 0.25 0.04 -0.89 -0.69 0.00 0.00 174.62 173.87 3isr s THR 18 N 0.42 4.61 -0.04 -0.82 2.01 -0.17 0.37 115.64 122.01 3isr s THR 18 Ca -0.07 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3isr s THR 18 Cb -0.11 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 3isr s THR 18 CO 0.01 0.53 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.95 3isr s PHE 19 N -0.20 2.66 -0.18 4.92 0.08 0.21 -0.57 117.98 124.90 3isr s PHE 19 Ca 0.07 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.94 3isr s PHE 19 Cb -0.12 -1.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 3isr s PHE 19 CO 0.02 0.17 -0.14 0.42 -0.10 0.00 0.00 175.22 175.59 3isr s ILE 20 N -0.73 1.78 0.15 0.64 1.01 -0.70 -1.98 121.20 121.38 3isr s ILE 20 Ca 0.12 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3isr s ILE 20 Cb -0.11 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3isr s ILE 20 CO 0.01 0.33 0.12 -0.36 0.00 0.00 0.00 174.94 175.04 3isr s PHE 21 N 1.37 3.14 -0.47 3.97 0.08 0.63 -0.92 117.98 125.78 3isr s PHE 21 Ca 0.01 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.09 3isr s PHE 21 Cb -0.15 -1.52 0.16 0.00 -0.57 0.00 0.00 43.02 40.94 3isr s PHE 21 CO -0.10 0.52 0.34 1.21 -0.10 0.00 0.00 175.22 177.09 3isr s ASN 22 N -3.00 2.79 0.00 1.36 2.47 0.61 -1.64 114.94 117.52 3isr s ASN 22 Ca 0.31 -3.06 0.00 0.00 0.42 0.00 0.00 52.86 50.53 3isr s ASN 22 Cb -0.10 -0.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.89 3isr s ASN 22 CO 0.23 -0.19 0.00 1.33 -3.72 0.00 0.00 177.10 174.75 3isr n VAL 23 N 2.92 0.00 -2.27 -5.21 0.24 -1.26 -4.64 118.33 108.11 3isr n VAL 23 Ca 0.21 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.34 62.05 3isr n VAL 23 Cb 0.41 0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.33 3isr n VAL 23 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3isr s HIS 24 N -1.76 3.04 0.44 6.34 3.76 -1.26 -5.00 115.29 120.84 3isr s HIS 24 Ca 0.00 1.54 -0.24 0.00 -0.15 0.00 0.00 55.06 56.21 3isr s HIS 24 Cb 0.00 -3.42 -0.08 0.00 1.11 0.00 0.00 32.58 30.20 3isr s HIS 24 CO 0.00 -1.40 1.22 0.00 -0.85 0.00 0.00 174.74 173.71 3isr s ALA 25 N -1.41 3.06 0.32 -1.40 0.00 -1.26 -4.59 121.76 116.48 3isr s ALA 25 Ca 0.57 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 3isr s ALA 25 Cb -0.31 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 3isr s ALA 25 CO 0.39 -0.75 0.89 -1.17 0.00 0.00 0.00 175.76 175.12 3isr s LEU 26 N -2.83 4.26 -0.27 0.00 2.96 -0.44 -4.92 118.68 117.45 3isr s LEU 26 Ca 0.61 1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 56.09 3isr s LEU 26 Cb -0.32 -4.01 -0.05 0.00 0.50 0.00 0.00 46.19 42.31 3isr s LEU 26 CO 0.40 -0.10 0.25 -0.13 -1.32 0.00 0.00 176.35 175.46 3isr s ARG 27 N -2.26 3.99 0.25 1.98 0.52 -1.26 -4.73 118.95 117.43 3isr s ARG 27 Ca 0.51 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 3isr s ARG 27 Cb -0.16 -3.64 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 3isr s ARG 27 CO 0.21 -0.19 0.13 0.25 0.02 0.00 0.00 175.30 175.72 3isr n THR 28 N 4.99 0.00 0.28 0.02 -2.24 -0.87 -4.99 114.28 111.46 3isr n THR 28 Ca -0.12 -1.55 0.15 0.00 -2.27 0.00 0.00 64.05 60.26 3isr n THR 28 Cb 0.52 0.64 0.79 0.00 -2.10 0.00 0.00 70.33 70.18 3isr n THR 28 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3isr h GLU 29 N 0.00 0.00 -0.00 -0.78 9.09 -1.97 -3.17 114.58 117.75 3isr h GLU 29 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 3isr h GLU 29 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3isr h GLU 29 CO 0.29 0.08 -0.27 -1.13 0.05 0.00 0.00 179.01 178.03 3isr n SER 30 N -3.53 0.76 -3.95 3.06 3.41 -1.26 -4.96 113.62 107.15 3isr n SER 30 Ca -0.02 -0.88 -0.29 0.00 -0.26 0.00 0.00 58.87 57.42 3isr n SER 30 Cb 0.21 0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 64.72 3isr n SER 30 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3isr s GLN 31 N -1.46 1.83 -0.11 4.33 0.74 -1.20 -2.10 119.66 121.69 3isr s GLN 31 Ca 0.05 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 54.93 3isr s GLN 31 Cb 0.06 -2.05 -0.01 0.00 1.10 0.00 0.00 33.01 32.11 3isr s GLN 31 CO 0.26 -0.35 -0.18 -1.01 -0.55 0.00 0.00 175.29 173.47 3isr s HIS 32 N 1.55 2.69 -0.44 1.67 3.76 0.00 -2.06 115.29 122.46 3isr s HIS 32 Ca 0.02 -0.78 -0.21 0.00 -0.15 0.00 0.00 55.06 53.94 3isr s HIS 32 Cb -0.14 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.80 3isr s HIS 32 CO -0.09 -0.27 0.69 0.42 -0.85 0.00 0.00 174.74 174.64 3isr s ILE 33 N 0.26 4.77 0.13 0.60 1.01 -1.26 -0.58 121.20 126.13 3isr s ILE 33 Ca -0.12 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 3isr s ILE 33 Cb -0.16 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 3isr s ILE 33 CO 0.07 -0.64 1.44 -0.07 0.00 0.00 0.00 174.94 175.74 3isr h LEU 34 N 9.84 1.00 -7.00 2.97 3.38 -1.56 -3.47 115.31 120.46 3isr h LEU 34 Ca -0.25 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.25 3isr h LEU 34 Cb 1.09 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 3isr h LEU 34 CO 0.91 1.30 0.36 1.51 0.09 0.00 0.00 178.44 182.62 3isr s ASP 35 N -6.90 -0.49 0.02 -0.43 -4.77 -1.22 -5.00 116.67 97.88 3isr s ASP 35 Ca -0.11 0.29 -0.20 0.00 -3.30 0.00 0.00 52.55 49.22 3isr s ASP 35 Cb 0.11 0.45 0.04 0.00 -1.09 0.00 0.00 42.92 42.43 3isr s ASP 35 CO 0.89 -0.63 0.45 -1.83 0.70 0.00 0.00 175.17 174.75 3isr s GLU 36 N -2.28 0.92 -0.03 2.11 -1.05 -1.26 -1.80 118.70 115.31 3isr s GLU 36 Ca -0.02 -0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.58 3isr s GLU 36 Cb -0.01 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 3isr s GLU 36 CO -0.02 -0.30 0.04 -1.54 0.95 0.00 0.00 175.26 174.38 3isr s SER 37 N -1.75 0.52 -0.23 0.83 1.04 -0.26 -5.00 113.70 108.85 3isr s SER 37 Ca -0.08 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 3isr s SER 37 Cb -0.01 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 3isr s SER 37 CO 0.01 -0.18 0.05 -0.22 0.98 0.00 0.00 173.24 173.88 3isr s LEU 38 N 1.51 3.44 -0.11 2.42 2.96 -1.26 -2.40 118.68 125.24 3isr s LEU 38 Ca -0.03 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3isr s LEU 38 Cb -0.13 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3isr s LEU 38 CO -0.03 0.02 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.26 3isr s ILE 39 N 1.30 1.30 -0.31 6.68 1.09 -0.04 -4.98 121.20 126.24 3isr s ILE 39 Ca 0.05 -0.51 -0.10 0.00 -1.10 0.00 0.00 60.65 58.99 3isr s ILE 39 Cb -0.15 -1.23 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 3isr s ILE 39 CO 0.03 0.41 0.15 0.54 -0.10 0.00 0.00 174.94 175.96 3isr s VAL 40 N 1.18 4.61 -0.19 2.92 0.11 -1.26 -0.20 120.40 127.57 3isr s VAL 40 Ca -0.04 -0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 58.60 3isr s VAL 40 Cb -0.14 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.37 3isr s VAL 40 CO -0.04 0.09 -0.09 0.42 -3.33 0.00 0.00 175.10 172.16 3isr s THR 41 N 1.62 3.11 0.46 5.04 -4.23 -0.51 -1.43 115.64 119.69 3isr s THR 41 Ca 0.05 -0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 59.74 3isr s THR 41 Cb -0.17 -2.38 -0.08 0.00 1.34 0.00 0.00 72.50 71.22 3isr s THR 41 CO 0.06 0.47 1.11 -2.16 -0.54 0.00 0.00 174.62 173.56 3isr s PRO 42 N 1.17 3.81 -0.02 3.99 0.04 -1.26 -1.52 135.00 141.21 3isr s PRO 42 Ca 0.02 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 3isr s PRO 42 Cb -0.14 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 3isr s PRO 42 CO -0.03 -0.47 2.03 -0.35 0.04 0.00 0.00 177.00 178.22 3isr n PRO 43 N -0.55 2.68 -4.30 0.56 -0.04 -0.52 -4.88 135.00 127.95 3isr n PRO 43 Ca 0.08 0.95 -0.27 0.00 -0.04 0.00 0.00 63.50 64.21 3isr n PRO 43 Cb 0.49 -3.06 -0.10 0.00 -0.04 0.00 0.00 33.50 30.80 3isr n PRO 43 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3isr s ILE 44 N 5.27 3.11 -0.04 0.52 1.01 -1.26 -5.09 121.20 124.72 3isr s ILE 44 Ca 0.92 -1.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3isr s ILE 44 Cb -0.42 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 3isr s ILE 44 CO 0.41 -0.11 1.46 -0.70 0.00 0.00 0.00 174.94 176.00 3isr s GLU 45 N -2.82 4.24 0.03 2.79 2.12 -1.26 -4.93 118.70 118.87 3isr s GLU 45 Ca 0.24 2.00 0.07 0.00 0.36 0.00 0.00 54.97 57.65 3isr s GLU 45 Cb -0.09 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 3isr s GLU 45 CO 0.15 -0.68 -0.22 -1.50 -0.54 0.00 0.00 175.26 172.46 3isr s ILE 46 N 3.06 1.77 -0.03 -3.70 1.10 -1.26 -4.39 121.20 117.75 3isr s ILE 46 Ca 0.66 -1.15 0.02 0.00 -0.51 0.00 0.00 60.65 59.66 3isr s ILE 46 Cb -0.31 -1.51 0.01 0.00 0.15 0.00 0.00 42.46 40.80 3isr s ILE 46 CO 0.26 0.32 -0.06 -0.70 -2.11 0.00 0.00 174.94 172.65 3isr s GLU 47 N -0.99 0.81 0.07 3.50 2.12 -0.54 -4.97 118.70 118.70 3isr s GLU 47 Ca 0.09 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.11 3isr s GLU 47 Cb -0.09 -0.78 -0.06 0.00 0.26 0.00 0.00 34.13 33.46 3isr s GLU 47 CO 0.01 0.02 0.44 -2.00 -0.54 0.00 0.00 175.26 173.19 3isr s GLU 48 N 0.49 3.86 0.15 4.30 2.12 -1.26 -0.14 118.70 128.22 3isr s GLU 48 Ca -0.07 0.32 -0.18 0.00 0.36 0.00 0.00 54.97 55.40 3isr s GLU 48 Cb -0.11 -3.05 0.04 0.00 0.26 0.00 0.00 34.13 31.28 3isr s GLU 48 CO 0.00 0.58 0.47 -0.59 -0.54 0.00 0.00 175.26 175.18 3isr s PHE 49 N -1.32 -0.26 0.15 5.30 -0.71 0.42 -4.97 117.98 116.58 3isr s PHE 49 Ca 0.32 -0.04 0.06 0.00 -1.04 0.00 0.00 56.93 56.23 3isr s PHE 49 Cb -0.15 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 3isr s PHE 49 CO 0.17 -0.78 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.01 3isr s SER 50 N -2.81 2.15 1.00 1.98 0.01 -1.26 -0.55 113.70 114.22 3isr s SER 50 Ca 0.04 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.28 3isr s SER 50 Cb 0.01 -0.08 0.19 0.00 0.21 0.00 0.00 66.02 66.34 3isr s SER 50 CO -0.10 -0.17 1.10 -0.31 0.41 0.00 0.00 173.24 174.18 3isr s TYR 51 N -2.47 2.11 0.38 2.43 2.02 -1.26 -4.93 117.35 115.63 3isr s TYR 51 Ca 0.13 0.92 0.07 0.00 -0.37 0.00 0.00 57.07 57.82 3isr s TYR 51 Cb -0.03 -3.31 0.79 0.00 -0.40 0.00 0.00 41.96 39.01 3isr s TYR 51 CO 0.04 -2.86 1.99 -0.97 -1.57 0.00 0.00 175.55 172.17 3isr h ASN 52 N -1.87 0.59 0.11 2.29 -1.24 -2.01 -2.28 115.58 111.17 3isr h ASN 52 Ca -0.54 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.45 3isr h ASN 52 Cb 1.33 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 3isr h ASN 52 CO 0.58 0.39 -0.11 0.77 -1.29 0.00 0.00 177.43 177.77 3isr h SER 53 N 0.68 0.01 -2.67 1.15 4.64 -2.00 -3.47 113.55 111.90 3isr h SER 53 Ca 0.27 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.29 3isr h SER 53 Cb 0.21 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3isr h SER 53 CO -0.08 0.13 -0.41 0.61 -0.87 0.00 0.00 176.83 176.21 3isr n GLY 54 N -1.19 -0.23 1.51 -0.77 0.00 -0.86 -4.92 105.19 98.73 3isr n GLY 54 Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 3isr n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3isr n THR 55 N -4.08 2.66 -3.52 2.61 -2.24 -1.26 -4.95 114.28 103.51 3isr n THR 55 Ca -0.14 -1.88 -0.14 0.00 -2.27 0.00 0.00 64.05 59.62 3isr n THR 55 Cb 0.62 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 3isr n THR 55 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3isr s SER 56 N -1.55 -0.54 -0.33 3.42 1.04 -1.26 -1.78 113.70 112.71 3isr s SER 56 Ca 0.49 0.47 -0.05 0.00 0.48 0.00 0.00 55.95 57.34 3isr s SER 56 Cb 0.40 0.47 0.04 0.00 0.10 0.00 0.00 66.02 67.03 3isr s SER 56 CO 0.10 -0.59 0.08 -0.13 0.98 0.00 0.00 173.24 173.68 3isr s ARG 57 N -1.70 2.61 0.18 4.02 0.52 -1.26 -4.57 118.95 118.76 3isr s ARG 57 Ca -0.05 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 53.95 3isr s ARG 57 Cb -0.00 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 3isr s ARG 57 CO 0.03 -0.63 0.41 -0.06 0.02 0.00 0.00 175.30 175.07 3isr s PHE 58 N 1.37 3.47 -0.04 -0.53 0.08 0.29 -4.40 117.98 118.23 3isr s PHE 58 Ca -0.02 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.56 3isr s PHE 58 Cb -0.19 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3isr s PHE 58 CO 0.02 0.37 -0.06 0.14 -0.10 0.00 0.00 175.22 175.59 3isr s VAL 59 N -1.79 0.66 0.03 -0.44 -7.23 -0.65 -0.44 120.40 110.54 3isr s VAL 59 Ca 0.41 -0.22 0.09 0.00 -1.81 0.00 0.00 61.98 60.45 3isr s VAL 59 Cb -0.12 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 3isr s VAL 59 CO 0.27 0.24 -0.26 0.00 -0.31 0.00 0.00 175.10 175.04 3isr s ARG 60 N 0.69 1.88 0.08 4.82 1.70 0.81 -0.27 118.95 128.66 3isr s ARG 60 Ca -0.10 -1.07 -0.08 0.00 -0.47 0.00 0.00 55.73 54.01 3isr s ARG 60 Cb -0.13 -2.00 -0.00 0.00 -0.57 0.00 0.00 34.95 32.24 3isr s ARG 60 CO 0.01 0.52 0.17 -0.48 -1.08 0.00 0.00 175.30 174.44 3isr s LEU 61 N -1.13 1.52 0.10 -1.89 0.05 -0.84 -1.46 118.68 115.04 3isr s LEU 61 Ca 0.12 -0.65 0.09 0.00 0.05 0.00 0.00 54.13 53.74 3isr s LEU 61 Cb -0.10 0.94 -0.04 0.00 -2.05 0.00 0.00 46.19 44.94 3isr s LEU 61 CO 0.02 -0.69 -0.22 -1.59 -0.55 0.00 0.00 176.35 173.31 3isr s LYS 62 N -3.70 1.69 0.06 1.48 -2.85 -1.26 -0.62 119.74 114.55 3isr s LYS 62 Ca 0.04 -1.21 0.08 0.00 -1.00 0.00 0.00 55.97 53.88 3isr s LYS 62 Cb 0.04 -2.04 -0.03 0.00 -2.06 0.00 0.00 37.83 33.75 3isr s LYS 62 CO -0.10 0.48 -0.21 0.00 0.10 0.00 0.00 175.35 175.62 3isr s ALA 63 N -1.05 1.76 0.43 0.59 0.00 0.16 -4.88 121.76 118.77 3isr s ALA 63 Ca 0.15 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 3isr s ALA 63 Cb -0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 3isr s ALA 63 CO 0.07 0.38 0.79 -0.08 0.00 0.00 0.00 175.76 176.92 3isr s THR 64 N -0.92 4.81 0.49 0.00 -1.32 -1.26 -1.21 115.64 116.22 3isr s THR 64 Ca 0.07 0.54 -0.23 0.00 -1.21 0.00 0.00 61.69 60.87 3isr s THR 64 Cb -0.09 -3.77 -0.08 0.00 -1.51 0.00 0.00 72.50 67.05 3isr s THR 64 CO 0.03 -0.62 1.10 -1.84 -2.21 0.00 0.00 174.62 171.08 3isr n GLU 65 N -1.57 1.42 -3.54 7.08 0.00 -1.25 -3.28 120.64 119.48 3isr n GLU 65 Ca 0.02 0.52 -0.19 0.00 0.00 0.00 0.00 57.16 57.51 3isr n GLU 65 Cb 0.54 -2.23 0.06 0.00 0.00 0.00 0.00 31.44 29.82 3isr n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3isr n ASN 66 N -0.09 -2.04 -4.55 -1.84 3.02 -0.13 -4.94 115.26 104.69 3isr n ASN 66 Ca 0.10 -0.73 -0.29 0.00 -0.03 0.00 0.00 54.58 53.63 3isr n ASN 66 Cb 0.42 -4.61 -0.10 0.00 -0.61 0.00 0.00 39.78 34.88 3isr n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3isr s THR 67 N -3.50 3.17 -0.08 3.41 2.01 -1.12 -4.97 115.64 114.55 3isr s THR 67 Ca 0.04 -1.44 0.03 0.00 0.31 0.00 0.00 61.69 60.63 3isr s THR 67 Cb -0.01 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 70.01 3isr s THR 67 CO 0.77 0.05 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.68 3isr s THR 68 N -1.32 1.57 0.12 -0.82 2.01 -1.26 -0.23 115.64 115.71 3isr s THR 68 Ca 0.21 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 3isr s THR 68 Cb -0.10 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 3isr s THR 68 CO 0.13 0.45 0.08 0.72 -0.69 0.00 0.00 174.62 175.31 3isr s PHE 69 N 0.55 0.71 0.08 4.92 -0.12 -0.94 -4.67 117.98 118.52 3isr s PHE 69 Ca -0.16 -1.11 0.01 0.00 -0.05 0.00 0.00 56.93 55.62 3isr s PHE 69 Cb -0.17 -0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 41.83 3isr s PHE 69 CO 0.06 -0.53 0.05 0.45 -0.05 0.00 0.00 175.22 175.20 3isr n SER 70 N -0.08 0.48 0.00 1.98 2.88 -0.58 -1.38 113.62 116.92 3isr n SER 70 Ca -0.07 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 3isr n SER 70 Cb 0.63 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 3isr n SER 70 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3isr n SER 72 N -2.29 0.00 -4.01 -3.46 2.88 0.72 -1.43 113.62 106.03 3isr n SER 72 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 3isr n SER 72 Cb 0.14 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.44 3isr n SER 72 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3isr s TYR 73 N -0.10 1.07 -0.02 0.66 5.04 0.70 -0.86 117.35 123.84 3isr s TYR 73 Ca 0.00 -0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3isr s TYR 73 Cb 0.00 -0.77 0.00 0.00 0.35 0.00 0.00 41.96 41.55 3isr s TYR 73 CO 0.00 -0.13 0.06 0.99 -1.34 0.00 0.00 175.55 175.13 3isr s THR 74 N 0.25 0.01 0.07 4.34 2.01 -1.01 -0.28 115.64 121.03 3isr s THR 74 Ca -0.05 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 3isr s THR 74 Cb -0.10 -0.13 0.05 0.00 0.01 0.00 0.00 72.50 72.34 3isr s THR 74 CO 0.01 -0.06 0.51 0.00 -0.69 0.00 0.00 174.62 174.38 3isr s ALA 75 N -0.17 -1.28 -0.12 7.40 0.00 -0.63 -1.10 121.76 125.86 3isr s ALA 75 Ca -0.02 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3isr s ALA 75 Cb -0.02 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 3isr s ALA 75 CO 0.00 -0.55 -0.19 0.95 0.00 0.00 0.00 175.76 175.97 3isr s THR 76 N -2.78 2.43 0.01 0.00 -4.23 -0.74 -1.16 115.64 109.17 3isr s THR 76 Ca -0.03 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 3isr s THR 76 Cb -0.00 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 3isr s THR 76 CO -0.04 0.54 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.80 3isr s VAL 77 N 0.46 0.69 -0.17 2.29 1.01 0.55 -1.28 120.40 123.95 3isr s VAL 77 Ca -0.14 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3isr s VAL 77 Cb -0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3isr s VAL 77 CO 0.06 0.04 0.07 -0.62 0.00 0.00 0.00 175.10 174.64 3isr s ASP 78 N -0.62 5.68 0.19 3.32 -1.08 0.25 -0.09 116.67 124.33 3isr s ASP 78 Ca 0.00 0.11 0.09 0.00 -0.52 0.00 0.00 52.55 52.23 3isr s ASP 78 Cb -0.05 -1.95 -0.04 0.00 -1.46 0.00 0.00 42.92 39.41 3isr s ASP 78 CO 0.00 0.20 -0.18 0.42 0.52 0.00 0.00 175.17 176.13 3isr s THR 79 N 0.23 1.90 0.07 1.71 -4.23 -1.26 -0.82 115.64 113.25 3isr s THR 79 Ca 0.04 -2.07 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3isr s THR 79 Cb -0.12 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 3isr s THR 79 CO 0.00 -0.40 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.47 3isr s GLN 80 N -3.14 0.74 0.12 3.99 -0.21 -0.89 -4.31 119.66 115.95 3isr s GLN 80 Ca 0.20 -0.97 -0.13 0.00 0.02 0.00 0.00 55.36 54.48 3isr s GLN 80 Cb -0.04 -0.55 0.02 0.00 1.00 0.00 0.00 33.01 33.43 3isr s GLN 80 CO 0.08 0.10 0.31 1.52 -2.12 0.00 0.00 175.29 175.19 3isr s TYR 81 N -1.73 -0.02 0.08 0.91 -0.85 -0.51 -3.22 117.35 112.00 3isr s TYR 81 Ca -0.02 -0.34 0.07 0.00 -0.52 0.00 0.00 57.07 56.26 3isr s TYR 81 Cb -0.07 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 3isr s TYR 81 CO 0.01 -0.65 -0.14 0.15 -1.52 0.00 0.00 175.55 173.40 3isr s LYS 82 N -3.84 2.08 -0.32 -3.49 1.02 0.05 -0.93 119.74 114.30 3isr s LYS 82 Ca 0.05 -1.02 -0.07 0.00 0.02 0.00 0.00 55.97 54.95 3isr s LYS 82 Cb 0.03 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 3isr s LYS 82 CO -0.11 0.52 0.11 0.08 -0.92 0.00 0.00 175.35 175.04 3isr s VAL 83 N -1.10 4.03 -0.11 3.17 1.01 -0.05 -0.38 120.40 126.97 3isr s VAL 83 Ca 0.18 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3isr s VAL 83 Cb -0.11 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3isr s VAL 83 CO 0.10 -0.07 -0.13 -0.63 0.00 0.00 0.00 175.10 174.37 3isr s ILE 84 N 1.48 3.09 0.18 2.22 1.01 0.29 -1.80 121.20 127.67 3isr s ILE 84 Ca 0.01 -0.67 -0.32 0.00 0.00 0.00 0.00 60.65 59.68 3isr s ILE 84 Cb -0.18 -2.27 -0.12 0.00 0.01 0.00 0.00 42.46 39.90 3isr s ILE 84 CO 0.03 0.54 1.76 -0.67 0.00 0.00 0.00 174.94 176.61 3isr n ASP 85 N 3.15 4.02 -0.36 3.58 2.03 -0.79 -0.55 116.55 127.62 3isr n ASP 85 Ca -0.18 1.04 0.04 0.00 0.52 0.00 0.00 54.79 56.21 3isr n ASP 85 Cb 0.53 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.43 3isr n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3isr n GLN 86 N 4.49 1.61 -0.02 -0.67 1.13 0.92 -4.74 117.38 120.10 3isr n GLN 86 Ca 0.17 -1.45 0.08 0.00 -1.94 0.00 0.00 57.00 53.86 3isr n GLN 86 Cb 0.36 -1.16 0.47 0.00 0.11 0.00 0.00 30.24 30.02 3isr n GLN 86 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3isr h ARG 87 N 1.38 0.45 -0.50 -1.09 3.08 -1.92 -2.11 114.38 113.67 3isr h ARG 87 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3isr h ARG 87 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3isr h ARG 87 CO 0.00 0.30 0.00 1.04 -1.07 0.00 0.00 179.97 180.24 3isr n GLN 88 N -4.48 2.22 -2.38 0.04 6.02 -1.26 -4.75 117.38 112.80 3isr n GLN 88 Ca 0.06 -1.90 -0.43 0.00 -0.01 0.00 0.00 57.00 54.72 3isr n GLN 88 Cb 0.19 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3isr n GLN 88 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3isr n GLU 89 N 1.05 3.21 0.00 -1.09 -0.58 -0.80 -4.68 120.64 117.76 3isr n GLU 89 Ca 0.18 -3.25 -0.02 0.00 -0.42 0.00 0.00 57.16 53.65 3isr n GLU 89 Cb 0.45 -3.25 -0.11 0.00 -0.57 0.00 0.00 31.44 27.97 3isr n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3isr n LEU 90 N 6.42 0.73 -4.13 -4.62 4.77 -1.26 -0.70 117.00 118.20 3isr n LEU 90 Ca 0.46 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.59 3isr n LEU 90 Cb 0.42 0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.52 3isr n LEU 90 CO 0.78 0.22 -0.45 -1.83 -1.33 0.00 0.00 177.39 174.79 3isr s GLU 91 N -2.84 0.77 0.57 3.23 1.03 -1.26 -4.49 118.70 115.71 3isr s GLU 91 Ca -0.04 -0.83 -0.21 0.00 0.03 0.00 0.00 54.97 53.92 3isr s GLU 91 Cb 0.08 -0.73 -0.04 0.00 -0.80 0.00 0.00 34.13 32.64 3isr s GLU 91 CO 0.82 0.17 1.35 0.95 -1.33 0.00 0.00 175.26 177.22 3isr s THR 92 N -1.13 2.02 0.16 1.83 -4.23 -1.26 -4.79 115.64 108.24 3isr s THR 92 Ca -0.02 0.02 -0.34 0.00 -1.18 0.00 0.00 61.69 60.16 3isr s THR 92 Cb -0.09 -3.01 -0.14 0.00 1.34 0.00 0.00 72.50 70.60 3isr s THR 92 CO 0.02 -0.00 1.46 0.52 -0.54 0.00 0.00 174.62 176.08 3isr n VAL 93 N -1.22 0.27 -1.75 2.29 0.31 -1.26 -4.90 118.33 112.07 3isr n VAL 93 Ca 0.12 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.97 3isr n VAL 93 Cb 0.45 -1.33 0.01 0.00 -0.91 0.00 0.00 33.84 32.06 3isr n VAL 93 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3isr n PRO 94 N 2.81 2.30 -0.36 5.55 -0.02 -1.26 -4.85 135.00 139.18 3isr n PRO 94 Ca 0.16 0.81 0.05 0.00 -2.02 0.00 0.00 63.50 62.50 3isr n PRO 94 Cb 0.27 -2.56 0.21 0.00 -0.02 0.00 0.00 33.50 31.40 3isr n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3isr h VAL 95 N 2.46 1.02 0.00 -1.45 2.07 -1.97 -0.33 116.25 118.05 3isr h VAL 95 Ca -0.50 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3isr h VAL 95 Cb 1.27 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3isr h VAL 95 CO 0.62 0.20 -0.06 -0.37 0.02 0.00 0.00 177.57 177.98 3isr h VAL 96 N 1.09 0.60 0.00 2.57 -1.51 -2.03 -2.86 116.25 114.11 3isr h VAL 96 Ca 0.45 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 3isr h VAL 96 Cb 0.30 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 3isr h VAL 96 CO -0.21 0.06 -0.94 0.47 -1.23 0.00 0.00 177.57 175.72 3isr n ASP 97 N -3.83 0.67 -4.76 4.19 8.00 -0.18 -4.96 116.55 115.69 3isr n ASP 97 Ca -0.03 -0.44 -0.41 0.00 0.71 0.00 0.00 54.79 54.62 3isr n ASP 97 Cb 0.15 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 42.01 3isr n ASP 97 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3isr s LEU 98 N -3.47 4.37 0.44 0.64 1.43 -0.91 -4.98 118.68 116.20 3isr s LEU 98 Ca 0.06 2.81 -0.24 0.00 -1.03 0.00 0.00 54.13 55.73 3isr s LEU 98 Cb 0.16 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 3isr s LEU 98 CO 0.80 -0.75 1.12 0.47 0.23 0.00 0.00 176.35 178.23 3isr n ASP 99 N 1.58 1.79 -0.29 2.29 8.00 -1.26 -4.89 116.55 123.78 3isr n ASP 99 Ca 0.04 1.04 0.11 0.00 0.71 0.00 0.00 54.79 56.69 3isr n ASP 99 Cb 0.40 -1.42 0.26 0.00 -0.02 0.00 0.00 41.12 40.34 3isr n ASP 99 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3isr h GLY 100 N 1.66 1.32 1.10 0.44 0.00 -1.98 -0.95 103.07 104.66 3isr h GLY 100 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3isr h GLY 100 CO 0.58 -0.28 0.00 2.09 0.00 0.00 0.00 176.54 178.93 3isr n ASP 101 N -5.14 0.00 -0.00 0.19 5.75 -1.26 -2.53 116.55 113.56 3isr n ASP 101 Ca 0.19 -0.78 -0.12 0.00 -0.01 0.00 0.00 54.79 54.07 3isr n ASP 101 Cb 0.60 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 40.50 3isr n ASP 101 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3isr h ILE 102 N 0.00 0.91 -0.83 2.12 1.08 -1.53 -3.41 117.51 115.85 3isr h ILE 102 Ca 0.00 -2.70 0.16 0.00 -0.39 0.00 0.00 64.86 61.92 3isr h ILE 102 Cb 0.05 2.50 -0.10 0.00 -3.07 0.00 0.00 36.82 36.20 3isr h ILE 102 CO 0.00 0.63 0.39 0.40 -0.69 0.00 0.00 178.15 178.89 3isr h ILE 103 N 0.02 0.67 -0.24 -0.67 1.08 -1.46 0.11 117.51 117.01 3isr h ILE 103 Ca -0.28 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.07 3isr h ILE 103 Cb 2.00 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 3isr h ILE 103 CO 0.09 0.10 0.24 -0.65 -0.69 0.00 0.00 178.15 177.24 3isr h PRO 104 N 0.54 0.00 0.00 2.37 0.11 -1.80 -1.27 132.00 131.95 3isr h PRO 104 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3isr h PRO 104 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3isr h PRO 104 CO -0.40 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.58 3isr n PHE 105 N -3.93 0.00 0.71 0.65 3.72 0.03 -2.24 117.46 116.40 3isr n PHE 105 Ca 0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3isr n PHE 105 Cb 0.38 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.09 3isr n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3isr n LEU 106 N -0.71 0.62 -4.93 4.37 4.77 -0.48 -2.09 117.00 118.54 3isr n LEU 106 Ca 0.09 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 3isr n LEU 106 Cb 0.04 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3isr n LEU 106 CO 0.07 0.02 -0.06 -0.36 -1.33 0.00 0.00 177.39 175.73 3isr s PHE 107 N -3.12 3.49 0.71 -1.77 0.08 -0.95 -4.88 117.98 111.54 3isr s PHE 107 Ca 0.07 0.23 -0.16 0.00 0.12 0.00 0.00 56.93 57.19 3isr s PHE 107 Cb 0.15 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 3isr s PHE 107 CO 0.73 0.48 1.24 -2.14 -0.10 0.00 0.00 175.22 175.44 3isr s PRO 108 N -3.11 2.22 0.37 0.24 0.02 -1.26 -4.94 135.00 128.53 3isr s PRO 108 Ca 0.36 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.32 3isr s PRO 108 Cb -0.11 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 3isr s PRO 108 CO 0.28 -1.81 0.18 -1.54 -0.33 0.00 0.00 177.00 173.78 3isr s SER 109 N -1.77 2.23 0.20 2.53 1.04 -0.60 -5.00 113.70 112.33 3isr s SER 109 Ca 0.78 -1.68 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 3isr s SER 109 Cb -0.33 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.49 3isr s SER 109 CO 0.44 -0.96 1.63 -0.09 0.98 0.00 0.00 173.24 175.24 3isr h ARG 110 N 1.97 -0.02 -0.36 4.02 9.65 -1.96 -1.80 114.38 125.88 3isr h ARG 110 Ca -0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3isr h ARG 110 Cb 1.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3isr h ARG 110 CO 0.50 -0.01 0.00 0.66 2.80 0.00 0.00 179.97 183.91 3isr n TYR 111 N -5.40 0.46 -3.50 2.20 4.01 -1.26 -4.67 117.16 109.01 3isr n TYR 111 Ca 0.06 -0.23 -0.27 0.00 -0.16 0.00 0.00 57.90 57.29 3isr n TYR 111 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.23 3isr n TYR 111 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3isr n GLN 113 N 2.60 3.52 0.22 0.00 3.00 -1.25 -1.55 117.38 123.92 3isr n GLN 113 Ca 0.28 -3.28 0.06 0.00 -0.01 0.00 0.00 57.00 54.05 3isr n GLN 113 Cb 0.45 -2.98 0.52 0.00 0.00 0.00 0.00 30.24 28.23 3isr n GLN 113 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3isr h SER 114 N 5.70 0.00 0.45 1.08 4.64 -1.89 -0.66 113.55 122.87 3isr h SER 114 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3isr h SER 114 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3isr h SER 114 CO 1.68 0.23 0.00 -2.24 -0.87 0.00 0.00 176.83 175.63 3isr h ASP 115 N 0.00 0.00 0.02 4.97 2.03 -1.91 -1.90 116.42 119.63 3isr h ASP 115 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3isr h ASP 115 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 3isr h ASP 115 CO 0.03 0.00 -0.21 0.29 -1.03 0.00 0.00 179.24 178.32 3isr n LYS 116 N -2.65 1.62 -0.03 4.15 5.02 -0.25 -4.44 118.16 121.58 3isr n LYS 116 Ca -0.00 -1.25 0.02 0.00 -2.02 0.00 0.00 58.31 55.06 3isr n LYS 116 Cb 0.16 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 3isr n LYS 116 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3isr n LEU 117 N 0.40 2.13 0.01 -0.35 4.77 -0.72 -4.78 117.00 118.46 3isr n LEU 117 Ca 0.13 -2.24 -0.11 0.00 -0.03 0.00 0.00 56.01 53.76 3isr n LEU 117 Cb 0.48 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3isr n LEU 117 CO 0.22 0.55 0.86 1.56 -1.33 0.00 0.00 177.39 179.25 3isr h GLN 118 N 0.09 0.01 -0.13 3.23 4.20 -1.77 0.14 115.11 120.88 3isr h GLN 118 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3isr h GLN 118 Cb 0.62 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3isr h GLN 118 CO 0.00 0.01 0.05 0.87 -0.67 0.00 0.00 178.83 179.09 3isr h LYS 119 N 0.01 0.20 -0.40 1.46 1.57 -1.93 -0.48 116.57 117.00 3isr h LYS 119 Ca 0.03 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3isr h LYS 119 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3isr h LYS 119 CO -0.07 0.31 0.21 1.25 -0.57 0.00 0.00 179.45 180.58 3isr h LEU 120 N 0.05 0.31 -0.53 2.94 6.46 -1.87 -1.77 115.31 120.89 3isr h LEU 120 Ca 0.04 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 3isr h LEU 120 Cb 0.19 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3isr h LEU 120 CO -0.00 0.22 0.11 0.00 -0.62 0.00 0.00 178.44 178.15 3isr h ALA 121 N 1.21 0.70 -0.73 1.25 0.00 -0.45 -2.51 119.26 118.73 3isr h ALA 121 Ca 0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3isr h ALA 121 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3isr h ALA 121 CO -0.11 0.42 0.19 -0.92 0.00 0.00 0.00 179.25 178.83 3isr h TYR 122 N 0.76 1.21 -0.34 0.00 3.20 -0.86 -1.37 116.97 119.56 3isr h TYR 122 Ca 0.16 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3isr h TYR 122 Cb 0.37 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3isr h TYR 122 CO 0.03 0.97 0.14 0.87 -1.64 0.00 0.00 178.16 178.52 3isr h LYS 123 N 1.10 0.51 -0.18 1.82 6.56 -1.16 0.18 116.57 125.40 3isr h LYS 123 Ca 0.23 -0.09 -0.15 0.00 -1.06 0.00 0.00 60.65 59.58 3isr h LYS 123 Cb 0.35 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3isr h LYS 123 CO -0.00 0.50 -0.46 0.93 -2.06 0.00 0.00 179.45 178.36 3isr h GLU 124 N 0.41 0.64 0.00 3.15 4.39 -1.34 -3.40 114.58 118.43 3isr h GLU 124 Ca 0.11 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3isr h GLU 124 Cb 0.18 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3isr h GLU 124 CO -0.01 1.06 0.00 1.19 -1.16 0.00 0.00 179.01 180.09 3isr n PHE 125 N -4.20 0.00 0.29 4.33 3.72 -0.53 -4.83 117.46 116.25 3isr n PHE 125 Ca -0.06 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.52 3isr n PHE 125 Cb 0.57 0.00 0.87 0.00 -0.94 0.00 0.00 39.48 39.99 3isr n PHE 125 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3isr h GLY 126 N 0.00 0.00 0.95 1.37 0.00 -0.71 -2.34 103.07 102.35 3isr h GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3isr h GLY 126 CO 0.00 0.00 -0.39 0.58 0.00 0.00 0.00 176.54 176.73 3isr n LYS 127 N -3.23 0.18 -2.24 4.80 2.85 -1.26 -4.88 118.16 114.38 3isr n LYS 127 Ca -0.01 -0.10 -0.43 0.00 -1.05 0.00 0.00 58.31 56.72 3isr n LYS 127 Cb 0.21 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.07 3isr n LYS 127 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3isr s ILE 128 N -2.88 3.95 -0.06 0.58 1.01 -0.88 -4.95 121.20 117.96 3isr s ILE 128 Ca 0.15 1.17 -0.23 0.00 0.00 0.00 0.00 60.65 61.73 3isr s ILE 128 Cb 0.18 -3.75 -0.19 0.00 0.01 0.00 0.00 42.46 38.71 3isr s ILE 128 CO 0.64 -0.09 0.95 1.05 0.00 0.00 0.00 174.94 177.49 3isr h GLU 129 N 8.69 -0.11 -6.21 2.79 -0.00 -1.90 -3.44 114.58 114.40 3isr h GLU 129 Ca -0.33 0.01 -0.56 0.00 -0.00 0.00 0.00 59.36 58.48 3isr h GLU 129 Cb 1.14 0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 29.88 3isr h GLU 129 CO 0.96 0.43 0.71 1.21 -0.00 0.00 0.00 179.01 182.32 3isr s ASN 130 N -5.67 7.11 0.23 3.06 3.84 -1.26 -4.67 114.94 117.58 3isr s ASN 130 Ca -0.14 1.60 -0.06 0.00 0.21 0.00 0.00 52.86 54.46 3isr s ASN 130 Cb 0.00 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.48 3isr s ASN 130 CO 0.56 -0.59 1.81 0.58 -2.79 0.00 0.00 177.10 176.67 3isr h VAL 131 N 5.22 0.93 -0.17 -5.21 2.07 -1.14 0.27 116.25 118.22 3isr h VAL 131 Ca -0.28 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3isr h VAL 131 Cb 1.12 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3isr h VAL 131 CO 0.91 0.14 0.06 0.22 0.02 0.00 0.00 177.57 178.92 3isr h TYR 132 N 0.74 0.26 -0.52 1.57 3.20 -1.88 -1.18 116.97 119.17 3isr h TYR 132 Ca 0.35 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3isr h TYR 132 Cb 0.28 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3isr h TYR 132 CO -0.07 0.34 0.31 0.77 -1.64 0.00 0.00 178.16 177.87 3isr h SER 133 N 0.11 0.61 -0.31 -2.11 0.02 -1.55 0.95 113.55 111.27 3isr h SER 133 Ca 0.06 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3isr h SER 133 Cb 0.19 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3isr h SER 133 CO -0.00 0.47 0.09 0.50 -1.14 0.00 0.00 176.83 176.75 3isr h LYS 134 N 0.71 0.48 -0.53 3.45 3.64 -0.19 0.18 116.57 124.30 3isr h LYS 134 Ca 0.19 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3isr h LYS 134 Cb -0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3isr h LYS 134 CO -0.04 0.53 -0.05 0.28 -2.27 0.00 0.00 179.45 177.91 3isr h VAL 135 N 0.34 1.26 -0.41 2.00 2.07 -0.65 -1.07 116.25 119.79 3isr h VAL 135 Ca 0.10 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 3isr h VAL 135 Cb 0.25 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3isr h VAL 135 CO -0.00 0.41 -0.08 0.25 0.02 0.00 0.00 177.57 178.17 3isr h LEU 136 N 0.85 0.68 -0.79 2.57 5.85 -0.65 -1.02 115.31 122.81 3isr h LEU 136 Ca 0.15 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3isr h LEU 136 Cb 0.57 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3isr h LEU 136 CO 0.03 0.80 0.30 0.00 -0.34 0.00 0.00 178.44 179.24 3isr h ALA 137 N 1.27 1.03 -0.21 1.25 0.00 -0.33 0.18 119.26 122.44 3isr h ALA 137 Ca 0.12 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3isr h ALA 137 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3isr h ALA 137 CO 0.03 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.86 3isr h ILE 138 N 1.16 0.97 -0.64 0.00 2.04 -0.73 0.10 117.51 120.41 3isr h ILE 138 Ca 0.26 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 3isr h ILE 138 Cb 0.24 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3isr h ILE 138 CO -0.02 0.04 0.17 0.74 0.00 0.00 0.00 178.15 179.08 3isr h THR 139 N 0.20 1.25 -0.18 -0.27 2.02 -0.73 -1.33 112.91 113.88 3isr h THR 139 Ca 0.09 -0.90 -0.17 0.00 0.77 0.00 0.00 66.41 66.20 3isr h THR 139 Cb 0.04 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3isr h THR 139 CO -0.08 0.34 -0.59 0.44 0.37 0.00 0.00 175.52 176.00 3isr h ASP 140 N 0.93 0.66 -0.56 4.18 3.32 -0.51 -2.17 116.42 122.27 3isr h ASP 140 Ca 0.20 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3isr h ASP 140 Cb 0.33 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3isr h ASP 140 CO -0.00 1.10 0.32 -0.25 -1.72 0.00 0.00 179.24 178.70 3isr h TRP 141 N 0.44 0.75 -0.01 4.55 7.01 -0.30 -2.00 115.95 126.39 3isr h TRP 141 Ca -0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3isr h TRP 141 Cb 1.15 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.97 3isr h TRP 141 CO 0.05 0.53 0.01 0.82 -2.79 0.00 0.00 178.44 177.06 3isr h ILE 142 N 0.76 1.07 -0.75 2.65 2.04 -1.15 -0.72 117.51 121.41 3isr h ILE 142 Ca 0.20 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3isr h ILE 142 Cb 0.01 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 3isr h ILE 142 CO -0.04 0.05 0.37 0.22 0.00 0.00 0.00 178.15 178.76 3isr h TYR 143 N -0.06 0.65 0.00 1.37 3.20 -1.22 0.23 116.97 121.14 3isr h TYR 143 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3isr h TYR 143 Cb 0.08 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3isr h TYR 143 CO -0.05 0.20 -0.11 -0.91 -1.64 0.00 0.00 178.16 175.65 3isr h ASN 144 N 0.59 0.00 0.00 -2.11 -0.26 -1.16 -3.37 115.58 109.27 3isr h ASN 144 Ca 0.39 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 3isr h ASN 144 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 3isr h ASN 144 CO -0.31 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.65 3isr n ASN 145 N -2.90 0.42 -4.18 5.81 4.13 -0.29 -4.97 115.26 113.28 3isr n ASN 145 Ca 0.04 -0.71 -0.32 0.00 1.68 0.00 0.00 54.58 55.28 3isr n ASN 145 Cb 0.51 0.48 -0.17 0.00 -1.54 0.00 0.00 39.78 39.07 3isr n ASN 145 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3isr s VAL 146 N -0.48 1.97 0.02 2.41 1.01 0.04 -4.79 120.40 120.58 3isr s VAL 146 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 3isr s VAL 146 Cb 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3isr s VAL 146 CO 0.00 0.54 0.75 -0.70 0.00 0.00 0.00 175.10 175.68 3isr s GLU 147 N 0.61 4.47 -0.49 2.72 2.12 0.43 -4.70 118.70 123.86 3isr s GLU 147 Ca -0.13 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.93 3isr s GLU 147 Cb -0.17 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3isr s GLU 147 CO 0.03 0.24 1.25 -0.47 -0.54 0.00 0.00 175.26 175.77 3isr s TYR 148 N 0.12 2.62 -0.14 5.30 5.04 -1.26 -1.15 117.35 127.88 3isr s TYR 148 Ca 0.38 0.63 -0.02 0.00 -2.44 0.00 0.00 57.07 55.62 3isr s TYR 148 Cb -0.20 -4.42 0.04 0.00 0.35 0.00 0.00 41.96 37.73 3isr s TYR 148 CO 0.22 -1.58 0.02 0.42 -1.34 0.00 0.00 175.55 173.28 3isr s ILE 149 N 4.96 0.47 0.31 3.14 1.01 -0.28 -4.93 121.20 125.89 3isr s ILE 149 Ca 0.51 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3isr s ILE 149 Cb -0.09 -0.80 -0.12 0.00 0.01 0.00 0.00 42.46 41.46 3isr s ILE 149 CO 0.30 0.02 1.53 -1.20 0.00 0.00 0.00 174.94 175.60 3isr n SER 150 N 5.09 3.68 0.00 3.58 7.64 -1.26 -2.76 113.62 129.58 3isr n SER 150 Ca -0.08 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.97 3isr n SER 150 Cb 0.49 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 3isr n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3isr n GLY 151 N 1.67 0.57 0.12 0.23 0.00 -1.26 -4.90 105.19 101.62 3isr n GLY 151 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3isr n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3isr h SER 152 N 0.00 0.00 -4.01 1.61 4.64 -1.89 -3.47 113.55 110.44 3isr h SER 152 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3isr h SER 152 Cb 0.11 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.07 3isr h SER 152 CO 0.00 0.00 -0.54 0.42 -0.87 0.00 0.00 176.83 175.84 3isr s THR 153 N -3.13 0.49 0.01 2.95 -4.23 -1.26 -4.94 115.64 105.52 3isr s THR 153 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3isr s THR 153 Cb 0.11 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 3isr s THR 153 CO 0.60 0.00 0.01 -0.46 -0.54 0.00 0.00 174.62 174.23 3isr n ASN 154 N -1.14 0.49 0.10 3.99 0.23 -1.26 -5.04 115.26 112.64 3isr n ASN 154 Ca -0.02 -1.08 0.12 0.00 -0.53 0.00 0.00 54.58 53.07 3isr n ASN 154 Cb 0.65 0.05 0.46 0.00 -2.08 0.00 0.00 39.78 38.85 3isr n ASN 154 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3isr n SER 155 N -2.47 0.61 0.14 0.53 3.41 -1.26 -2.52 113.62 112.07 3isr n SER 155 Ca 0.00 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3isr n SER 155 Cb 0.02 -0.76 0.24 0.00 -0.26 0.00 0.00 64.21 63.45 3isr n SER 155 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3isr h GLN 156 N 0.00 0.00 -6.85 4.33 4.20 -2.04 -3.47 115.11 111.27 3isr h GLN 156 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3isr h GLN 156 Cb 0.47 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.32 3isr h GLN 156 CO 0.00 0.00 0.70 0.99 -0.67 0.00 0.00 178.83 179.85 3isr s THR 157 N -3.18 2.59 0.38 -0.54 2.01 -1.05 -5.03 115.64 110.82 3isr s THR 157 Ca 0.07 0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.67 3isr s THR 157 Cb 0.09 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3isr s THR 157 CO 0.66 0.12 0.08 -0.94 -0.69 0.00 0.00 174.62 173.86 3isr s SER 158 N -0.18 2.73 0.26 3.53 1.04 -1.26 -4.94 113.70 114.89 3isr s SER 158 Ca 0.53 -1.53 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 3isr s SER 158 Cb -0.41 0.22 0.42 0.00 0.10 0.00 0.00 66.02 66.35 3isr s SER 158 CO 0.52 -0.76 1.85 0.00 0.98 0.00 0.00 173.24 175.82 3isr h ALA 159 N 1.90 1.33 -0.51 5.32 0.00 -1.20 -1.23 119.26 124.86 3isr h ALA 159 Ca -0.39 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3isr h ALA 159 Cb 1.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3isr h ALA 159 CO 0.65 0.28 0.34 0.35 0.00 0.00 0.00 179.25 180.87 3isr h PHE 160 N 1.00 0.61 -0.09 0.00 3.57 -1.90 -2.07 116.94 118.07 3isr h PHE 160 Ca 0.43 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.81 3isr h PHE 160 Cb 0.29 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.83 3isr h PHE 160 CO -0.02 0.38 -0.45 -0.44 -2.23 0.00 0.00 178.31 175.55 3isr h ASP 161 N 0.65 0.55 0.02 0.41 3.32 -1.66 -3.32 116.42 116.39 3isr h ASP 161 Ca 0.20 -0.65 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3isr h ASP 161 Cb -0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3isr h ASP 161 CO -0.05 1.11 -0.11 0.74 -1.72 0.00 0.00 179.24 179.21 3isr h THR 162 N 0.03 1.16 -0.02 0.35 2.02 -1.01 0.82 112.91 116.25 3isr h THR 162 Ca -0.03 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3isr h THR 162 Cb 1.09 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3isr h THR 162 CO 0.09 0.21 -0.01 -0.29 0.37 0.00 0.00 175.52 175.89 3isr h ILE 163 N 0.20 1.02 0.01 3.11 6.09 -1.48 -0.91 117.51 125.55 3isr h ILE 163 Ca 0.04 -0.08 -0.37 0.00 -1.37 0.00 0.00 64.86 63.08 3isr h ILE 163 Cb 0.32 1.02 -0.06 0.00 0.47 0.00 0.00 36.82 38.56 3isr h ILE 163 CO 0.02 0.03 -2.35 0.35 -3.07 0.00 0.00 178.15 173.13 3isr n THR 164 N -4.51 1.49 -0.02 2.19 -2.24 -0.69 -4.52 114.28 105.98 3isr n THR 164 Ca -0.03 -0.70 -0.07 0.00 -2.27 0.00 0.00 64.05 60.99 3isr n THR 164 Cb 0.11 -1.07 0.12 0.00 -2.10 0.00 0.00 70.33 67.38 3isr n THR 164 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3isr h GLU 165 N 0.01 0.59 -2.48 -0.78 5.08 -0.75 -3.47 114.58 112.78 3isr h GLU 165 Ca -0.53 -0.27 -0.38 0.00 -1.00 0.00 0.00 59.36 57.17 3isr h GLU 165 Cb 2.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.25 3isr h GLU 165 CO -0.02 0.85 -0.47 0.54 -1.00 0.00 0.00 179.01 178.91 3isr n ARG 166 N -4.06 -1.50 -3.77 2.33 5.12 -0.36 -4.98 116.66 109.45 3isr n ARG 166 Ca -0.01 0.96 -0.13 0.00 -1.93 0.00 0.00 57.85 56.74 3isr n ARG 166 Cb 0.48 -5.50 -0.09 0.00 -1.16 0.00 0.00 32.46 26.19 3isr n ARG 166 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3isr s ALA 167 N -2.92 -0.76 0.00 7.54 0.00 -1.26 -0.43 121.76 123.93 3isr s ALA 167 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3isr s ALA 167 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3isr s ALA 167 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3isr n GLY 168 N 1.47 -1.16 1.81 0.00 0.00 -0.30 -4.88 105.19 102.13 3isr n GLY 168 Ca -0.21 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 3isr n GLY 168 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3isr n VAL 169 N 1.31 0.00 -0.25 1.61 0.24 -1.26 -1.13 118.33 118.84 3isr n VAL 169 Ca 0.00 -1.21 0.09 0.00 -2.04 0.00 0.00 64.34 61.18 3isr n VAL 169 Cb 0.00 0.29 0.34 0.00 -1.47 0.00 0.00 33.84 33.00 3isr n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3isr h ARG 171 N 0.77 0.89 -0.24 0.00 2.43 -1.97 0.06 114.38 116.33 3isr h ARG 171 Ca 0.40 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.33 3isr h ARG 171 Cb 0.49 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3isr h ARG 171 CO -0.17 0.59 -0.59 -0.44 -1.51 0.00 0.00 179.97 177.86 3isr h ASP 172 N 0.92 0.88 -0.82 -3.80 3.32 -1.48 -0.87 116.42 114.57 3isr h ASP 172 Ca 0.32 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3isr h ASP 172 Cb 0.07 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3isr h ASP 172 CO -0.13 1.27 0.38 -0.26 -1.72 0.00 0.00 179.24 178.78 3isr h PHE 173 N 0.59 1.20 -0.03 4.55 -1.00 -0.97 -1.40 116.94 119.87 3isr h PHE 173 Ca 0.00 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 3isr h PHE 173 Cb 1.19 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 3isr h PHE 173 CO 0.07 0.87 0.01 0.00 -1.61 0.00 0.00 178.31 177.65 3isr h ALA 174 N 1.20 0.04 -0.83 2.45 0.00 -0.86 -2.30 119.26 118.96 3isr h ALA 174 Ca 0.28 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3isr h ALA 174 Cb 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3isr h ALA 174 CO -0.03 -0.32 0.51 0.45 0.00 0.00 0.00 179.25 179.86 3isr h HIS 175 N -0.20 0.95 -0.38 0.00 3.86 -1.03 -1.57 115.15 116.79 3isr h HIS 175 Ca 0.01 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 3isr h HIS 175 Cb 0.27 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3isr h HIS 175 CO 0.02 0.49 -0.12 1.25 0.86 0.00 0.00 177.93 180.43 3isr h LEU 176 N 0.95 0.76 -0.73 2.43 5.85 -1.23 -0.09 115.31 123.24 3isr h LEU 176 Ca 0.36 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3isr h LEU 176 Cb 0.14 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3isr h LEU 176 CO -0.16 0.96 0.45 1.23 -0.34 0.00 0.00 178.44 180.58 3isr h GLY 177 N 0.55 1.06 0.81 3.75 0.00 -1.06 -1.51 103.07 106.67 3isr h GLY 177 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3isr h GLY 177 CO 0.04 0.26 0.02 -2.22 0.00 0.00 0.00 176.54 174.64 3isr h ILE 178 N 0.86 1.19 -0.89 2.60 2.04 -1.10 -1.43 117.51 120.77 3isr h ILE 178 Ca 0.30 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3isr h ILE 178 Cb 0.08 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3isr h ILE 178 CO -0.13 0.16 0.58 0.00 0.00 0.00 0.00 178.15 178.76 3isr h ALA 179 N 0.82 1.16 -0.30 1.87 0.00 -0.81 -0.73 119.26 121.28 3isr h ALA 179 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3isr h ALA 179 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3isr h ALA 179 CO -0.00 0.46 -0.40 -0.07 0.00 0.00 0.00 179.25 179.24 3isr h LEU 180 N 1.14 0.76 0.31 0.00 3.38 -1.17 -0.85 115.31 118.89 3isr h LEU 180 Ca 0.35 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3isr h LEU 180 Cb -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3isr h LEU 180 CO -0.11 1.07 -0.15 0.00 0.09 0.00 0.00 178.44 179.35 3isr h ARG 182 N -0.46 0.67 0.00 0.00 3.08 -1.01 0.11 114.38 116.77 3isr h ARG 182 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3isr h ARG 182 Cb 0.35 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3isr h ARG 182 CO 0.07 0.44 -0.04 0.00 -1.07 0.00 0.00 179.97 179.38 3isr h ALA 183 N 1.68 1.42 -0.57 0.04 0.00 -0.97 -0.89 119.26 119.96 3isr h ALA 183 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3isr h ALA 183 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3isr h ALA 183 CO -0.04 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3isr n LEU 184 N -3.73 5.25 -2.74 0.00 4.77 -0.07 -4.72 117.00 115.75 3isr n LEU 184 Ca -0.03 -2.77 -0.20 0.00 -0.03 0.00 0.00 56.01 52.98 3isr n LEU 184 Cb 0.13 -0.63 0.04 0.00 -2.33 0.00 0.00 43.42 40.62 3isr n LEU 184 CO 0.28 0.70 0.03 -1.20 -1.33 0.00 0.00 177.39 175.86 3isr n SER 185 N 0.69 -5.64 -4.30 -1.43 7.64 -0.34 -5.01 113.62 105.24 3isr n SER 185 Ca 0.26 -0.28 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 3isr n SER 185 Cb 1.07 -4.44 -0.14 0.00 -1.01 0.00 0.00 64.21 59.69 3isr n SER 185 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3isr s ILE 186 N -3.13 3.10 0.34 0.44 1.01 -0.62 -5.00 121.20 117.33 3isr s ILE 186 Ca 0.30 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 3isr s ILE 186 Cb -0.13 -2.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.86 3isr s ILE 186 CO 0.37 0.47 1.34 -2.84 0.00 0.00 0.00 174.94 174.28 3isr s PRO 187 N 1.17 4.31 0.01 2.79 0.02 -1.26 -2.91 135.00 139.13 3isr s PRO 187 Ca 0.02 2.29 -0.14 0.00 0.02 0.00 0.00 61.00 63.18 3isr s PRO 187 Cb -0.14 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.34 3isr s PRO 187 CO -0.03 -0.26 0.30 0.00 -0.33 0.00 0.00 177.00 176.68 3isr s ALA 188 N -1.10 -0.73 0.07 -1.55 0.00 -0.89 -0.99 121.76 116.57 3isr s ALA 188 Ca 0.50 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 3isr s ALA 188 Cb -0.41 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3isr s ALA 188 CO 0.55 -0.31 0.08 -0.98 0.00 0.00 0.00 175.76 175.09 3isr s ARG 189 N -1.76 0.72 0.16 0.00 1.70 -0.21 -4.76 118.95 114.80 3isr s ARG 189 Ca -0.11 -1.08 -0.21 0.00 -0.47 0.00 0.00 55.73 53.86 3isr s ARG 189 Cb -0.04 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.54 3isr s ARG 189 CO 0.02 -0.19 0.70 -0.47 -1.08 0.00 0.00 175.30 174.28 3isr s TYR 190 N -3.85 3.78 -0.06 5.89 5.04 0.60 -1.27 117.35 127.48 3isr s TYR 190 Ca 0.06 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.14 3isr s TYR 190 Cb 0.06 -2.63 0.02 0.00 0.35 0.00 0.00 41.96 39.76 3isr s TYR 190 CO -0.10 0.47 -0.08 0.12 -1.34 0.00 0.00 175.55 174.61 3isr s PHE 191 N -1.28 1.12 0.18 4.97 5.36 -0.40 -1.53 117.98 126.40 3isr s PHE 191 Ca 0.37 -0.39 0.11 0.00 -0.96 0.00 0.00 56.93 56.06 3isr s PHE 191 Cb -0.20 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 3isr s PHE 191 CO 0.22 -0.25 -0.24 0.95 -1.46 0.00 0.00 175.22 174.45 3isr s THR 192 N 0.86 2.38 0.03 0.12 -4.23 0.02 -0.80 115.64 114.02 3isr s THR 192 Ca -0.12 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.16 3isr s THR 192 Cb -0.15 -2.13 0.09 0.00 1.34 0.00 0.00 72.50 71.65 3isr s THR 192 CO 0.01 -0.08 1.23 -0.83 -0.54 0.00 0.00 174.62 174.41 3isr s GLY 193 N -2.57 -0.05 0.19 3.99 0.00 -0.51 -0.37 107.32 108.00 3isr s GLY 193 Ca 0.20 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.64 3isr s GLY 193 CO 0.09 5.10 0.67 -0.19 0.00 0.00 0.00 173.10 178.78 3isr s TYR 194 N -2.03 3.66 -0.15 1.90 2.02 0.17 -1.32 117.35 121.60 3isr s TYR 194 Ca 0.28 1.31 -0.02 0.00 -0.37 0.00 0.00 57.07 58.28 3isr s TYR 194 Cb -0.01 -2.56 0.04 0.00 -0.40 0.00 0.00 41.96 39.04 3isr s TYR 194 CO 0.01 0.38 -0.00 0.00 -1.57 0.00 0.00 175.55 174.37 3isr s ALA 195 N -1.47 1.07 0.25 3.71 0.00 -1.26 -0.75 121.76 123.32 3isr s ALA 195 Ca 0.40 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 3isr s ALA 195 Cb -0.17 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 21.83 3isr s ALA 195 CO 0.21 -0.83 1.25 0.12 0.00 0.00 0.00 175.76 176.51 3isr s PHE 196 N 1.82 3.29 0.00 0.00 5.36 -0.52 -3.15 117.98 124.78 3isr s PHE 196 Ca 0.01 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3isr s PHE 196 Cb -0.15 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 3isr s PHE 196 CO -0.07 -1.51 0.00 1.63 -1.46 0.00 0.00 175.22 173.81 3isr n LYS 197 N 1.82 -0.42 -2.48 10.12 4.76 -1.26 -4.43 118.16 126.28 3isr n LYS 197 Ca 0.03 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 55.15 3isr n LYS 197 Cb 0.43 -3.42 -0.02 0.00 -1.84 0.00 0.00 35.03 30.18 3isr n LYS 197 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3isr s LEU 198 N 0.00 4.20 -0.13 -0.35 2.96 -1.19 -4.92 118.68 119.25 3isr s LEU 198 Ca 0.00 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.59 3isr s LEU 198 Cb 0.00 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.16 3isr s LEU 198 CO 0.00 -0.69 -0.14 0.21 -1.32 0.00 0.00 176.35 174.41 3isr s ASN 199 N 1.70 2.55 0.54 3.68 3.84 -1.26 -2.65 114.94 123.34 3isr s ASN 199 Ca 0.53 -0.45 -0.18 0.00 0.21 0.00 0.00 52.86 52.97 3isr s ASN 199 Cb -0.21 -1.13 -0.06 0.00 -0.55 0.00 0.00 41.25 39.30 3isr s ASN 199 CO 0.16 -0.02 1.06 -2.16 -2.79 0.00 0.00 177.10 173.34 3isr s PRO 200 N 1.26 3.52 0.19 0.43 0.04 -1.26 -5.09 135.00 134.09 3isr s PRO 200 Ca -0.00 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 3isr s PRO 200 Cb -0.14 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3isr s PRO 200 CO -0.06 -0.66 1.41 -2.14 0.04 0.00 0.00 177.00 175.58 3isr s PRO 201 N -3.61 4.31 0.25 0.56 0.02 -1.09 -4.98 135.00 130.46 3isr s PRO 201 Ca 0.66 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 63.65 3isr s PRO 201 Cb -0.17 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.21 3isr s PRO 201 CO 0.28 -0.40 0.81 0.34 -0.33 0.00 0.00 177.00 177.70 3isr s ASP 202 N 0.64 -0.21 0.52 2.53 -1.08 -1.24 -4.36 116.67 113.47 3isr s ASP 202 Ca 0.61 -0.59 -0.20 0.00 -0.52 0.00 0.00 52.55 51.86 3isr s ASP 202 Cb -0.39 0.66 -0.06 0.00 -1.46 0.00 0.00 42.92 41.66 3isr s ASP 202 CO 0.37 -1.23 1.13 -0.36 0.52 0.00 0.00 175.17 175.60 3isr s PHE 203 N -3.58 2.73 0.13 -5.34 0.08 -1.26 -4.58 117.98 106.16 3isr s PHE 203 Ca 0.12 1.54 0.10 0.00 0.12 0.00 0.00 56.93 58.81 3isr s PHE 203 Cb -0.04 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 3isr s PHE 203 CO 0.06 -1.52 -0.23 -1.58 -0.10 0.00 0.00 175.22 171.84 3isr s HIS 204 N -1.73 2.02 0.00 0.36 2.46 -0.44 -5.00 115.29 112.97 3isr s HIS 204 Ca 0.71 -0.40 0.03 0.00 0.47 0.00 0.00 55.06 55.86 3isr s HIS 204 Cb -0.24 -1.08 -0.01 0.00 -0.13 0.00 0.00 32.58 31.12 3isr s HIS 204 CO 0.28 0.30 -0.10 0.00 -2.47 0.00 0.00 174.74 172.76 3isr s ALA 205 N -1.30 0.79 0.00 1.58 0.00 -1.26 -1.42 121.76 120.14 3isr s ALA 205 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3isr s ALA 205 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3isr s ALA 205 CO 0.06 0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.99 3isr s PHE 207 N -0.94 0.60 0.03 0.00 -0.12 -0.93 -1.27 117.98 115.35 3isr s PHE 207 Ca 0.00 -0.98 0.06 0.00 -0.05 0.00 0.00 56.93 55.96 3isr s PHE 207 Cb 0.00 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3isr s PHE 207 CO 0.00 -0.61 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.17 3isr s GLU 208 N -4.00 1.21 0.03 1.99 2.02 -0.40 -0.70 118.70 118.85 3isr s GLU 208 Ca 0.20 -0.79 0.09 0.00 0.02 0.00 0.00 54.97 54.48 3isr s GLU 208 Cb 0.05 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 3isr s GLU 208 CO 0.00 0.32 -0.25 0.00 0.02 0.00 0.00 175.26 175.35 3isr s ALA 209 N -0.72 2.27 -0.46 5.21 0.00 0.05 -1.05 121.76 127.06 3isr s ALA 209 Ca 0.05 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.56 3isr s ALA 209 Cb -0.08 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.55 3isr s ALA 209 CO 0.01 0.54 0.71 -0.47 0.00 0.00 0.00 175.76 176.54 3isr s TYR 210 N -0.78 3.02 -0.11 0.00 5.04 -0.16 -0.70 117.35 123.66 3isr s TYR 210 Ca 0.12 -0.07 -0.00 0.00 -2.44 0.00 0.00 57.07 54.68 3isr s TYR 210 Cb -0.10 -3.53 0.02 0.00 0.35 0.00 0.00 41.96 38.70 3isr s TYR 210 CO 0.02 -0.97 -0.08 0.42 -1.34 0.00 0.00 175.55 173.59 3isr s ILE 211 N 3.03 1.02 -1.39 3.14 1.01 0.16 -4.51 121.20 123.66 3isr s ILE 211 Ca 0.24 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 3isr s ILE 211 Cb -0.14 -1.03 0.04 0.00 0.01 0.00 0.00 42.46 41.34 3isr s ILE 211 CO 0.19 0.36 0.54 0.61 0.00 0.00 0.00 174.94 176.64 3isr n GLY 212 N 4.82 -0.50 1.09 6.18 0.00 -1.26 -1.78 105.19 113.74 3isr n GLY 212 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3isr n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3isr n GLY 213 N -1.32 0.75 3.10 -0.02 0.00 -1.26 -5.05 105.19 101.39 3isr n GLY 213 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3isr n GLY 213 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3isr s ASN 214 N -2.48 1.56 -0.40 1.61 -0.87 -0.74 -5.10 114.94 108.51 3isr s ASN 214 Ca 0.00 -0.26 -0.29 0.00 -1.57 0.00 0.00 52.86 50.74 3isr s ASN 214 Cb 0.00 -0.16 0.02 0.00 -0.02 0.00 0.00 41.25 41.09 3isr s ASN 214 CO 0.00 0.15 1.17 0.26 -2.57 0.00 0.00 177.10 176.11 3isr s TRP 215 N -0.37 2.85 -0.20 2.20 0.52 -1.26 -0.67 118.94 122.01 3isr s TRP 215 Ca 0.05 0.87 -0.07 0.00 0.02 0.00 0.00 56.10 56.97 3isr s TRP 215 Cb -0.05 -4.14 -0.04 0.00 -1.15 0.00 0.00 33.47 28.09 3isr s TRP 215 CO -0.00 -1.25 0.06 0.42 0.02 0.00 0.00 176.95 176.19 3isr s ILE 216 N 4.32 4.58 0.29 2.03 -1.09 0.13 -4.28 121.20 127.18 3isr s ILE 216 Ca 0.50 -0.10 -0.28 0.00 -2.23 0.00 0.00 60.65 58.54 3isr s ILE 216 Cb -0.10 -3.09 -0.09 0.00 -1.58 0.00 0.00 42.46 37.60 3isr s ILE 216 CO 0.26 0.42 0.99 -0.51 -1.23 0.00 0.00 174.94 174.87 3isr s ILE 217 N 0.79 3.93 0.02 2.92 1.10 -0.58 -0.77 121.20 128.61 3isr s ILE 217 Ca 0.03 1.78 -0.00 0.00 -0.51 0.00 0.00 60.65 61.95 3isr s ILE 217 Cb -0.14 -4.07 -0.02 0.00 0.15 0.00 0.00 42.46 38.38 3isr s ILE 217 CO 0.02 0.30 -0.02 -0.36 -2.11 0.00 0.00 174.94 172.77 3isr s PHE 218 N -1.36 0.27 -0.25 3.50 0.08 0.12 -4.67 117.98 115.66 3isr s PHE 218 Ca 0.47 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 3isr s PHE 218 Cb -0.25 -0.20 0.12 0.00 -0.57 0.00 0.00 43.02 42.12 3isr s PHE 218 CO 0.31 -0.21 0.26 0.34 -0.10 0.00 0.00 175.22 175.83 3isr s ASP 219 N -1.55 1.52 0.17 1.36 2.15 -1.26 -2.19 116.67 116.86 3isr s ASP 219 Ca -0.14 -0.46 0.22 0.00 0.43 0.00 0.00 52.55 52.59 3isr s ASP 219 Cb -0.09 0.46 0.88 0.00 -0.30 0.00 0.00 42.92 43.88 3isr s ASP 219 CO -0.01 -0.36 1.67 0.00 -0.17 0.00 0.00 175.17 176.30 3isr n ALA 220 N 5.32 1.78 0.22 3.66 0.00 -1.26 -2.51 120.51 127.71 3isr n ALA 220 Ca -0.04 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3isr n ALA 220 Cb 0.48 -1.36 0.39 0.00 0.00 0.00 0.00 19.45 18.95 3isr n ALA 220 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3isr h THR 221 N 0.00 0.44 -2.99 0.00 1.35 -1.93 -3.31 112.91 106.47 3isr h THR 221 Ca 0.00 -1.18 -0.33 0.00 -0.55 0.00 0.00 66.41 64.35 3isr h THR 221 Cb 0.39 1.86 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 3isr h THR 221 CO 0.00 0.20 -0.40 0.54 -0.25 0.00 0.00 175.52 175.61 3isr n ARG 222 N -3.28 -1.84 0.14 4.72 1.74 -1.04 -4.88 116.66 112.21 3isr n ARG 222 Ca 0.01 0.84 0.12 0.00 -0.77 0.00 0.00 57.85 58.04 3isr n ARG 222 Cb 0.47 -5.40 0.05 0.00 -1.02 0.00 0.00 32.46 26.56 3isr n ARG 222 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3isr h LEU 223 N 0.00 0.00 -7.96 0.55 3.38 -1.91 -3.47 115.31 105.90 3isr h LEU 223 Ca -0.38 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.33 3isr h LEU 223 Cb 1.25 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.75 3isr h LEU 223 CO 0.47 0.00 -0.73 0.68 0.09 0.00 0.00 178.44 178.95 3isr s VAL 224 N -3.32 0.29 0.23 1.22 -7.23 -1.26 -4.69 120.40 105.64 3isr s VAL 224 Ca 0.02 -0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 59.30 3isr s VAL 224 Cb 0.08 -0.33 -0.11 0.00 0.56 0.00 0.00 36.38 36.59 3isr s VAL 224 CO 0.76 -0.20 1.54 -2.84 -0.31 0.00 0.00 175.10 174.05 3isr s PRO 225 N -0.83 4.20 0.44 4.82 0.02 -1.26 -4.88 135.00 137.51 3isr s PRO 225 Ca -0.06 2.41 0.18 0.00 0.02 0.00 0.00 61.00 63.56 3isr s PRO 225 Cb -0.06 -3.10 1.01 0.00 0.02 0.00 0.00 34.50 32.37 3isr s PRO 225 CO -0.00 -0.55 1.93 -0.07 -0.33 0.00 0.00 177.00 177.97 3isr h LEU 226 N 5.60 0.00 -0.24 -5.54 3.38 -1.79 -1.69 115.31 115.03 3isr h LEU 226 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3isr h LEU 226 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3isr h LEU 226 CO 0.83 0.25 0.00 -0.46 0.09 0.00 0.00 178.44 179.15 3isr n ASN 227 N -3.94 0.38 -1.35 -0.43 6.94 -1.26 -3.57 115.26 112.03 3isr n ASN 227 Ca -0.02 -1.16 0.10 0.00 -0.02 0.00 0.00 54.58 53.48 3isr n ASN 227 Cb 0.33 -0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.06 3isr n ASN 227 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3isr n GLY 228 N 1.03 2.29 3.79 4.83 0.00 -0.63 -4.96 105.19 111.54 3isr n GLY 228 Ca 0.22 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3isr n GLY 228 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3isr s LEU 229 N -1.32 4.42 -0.20 0.99 1.43 -1.23 -1.44 118.68 121.32 3isr s LEU 229 Ca 0.46 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3isr s LEU 229 Cb 0.26 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3isr s LEU 229 CO 0.27 0.21 -0.12 -0.69 0.23 0.00 0.00 176.35 176.25 3isr s VAL 230 N -0.53 2.73 0.02 -1.59 1.01 0.07 -4.97 120.40 117.14 3isr s VAL 230 Ca 0.25 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3isr s VAL 230 Cb -0.17 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3isr s VAL 230 CO 0.13 0.46 1.33 -0.75 0.00 0.00 0.00 175.10 176.28 3isr s LYS 231 N 1.38 4.32 -0.18 2.72 2.20 -1.26 -0.66 119.74 128.26 3isr s LYS 231 Ca 0.05 1.90 -0.15 0.00 -0.36 0.00 0.00 55.97 57.41 3isr s LYS 231 Cb -0.14 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 3isr s LYS 231 CO -0.08 -0.48 -0.12 -0.89 -0.36 0.00 0.00 175.35 173.42 3isr n ILE 232 N 4.43 1.47 -3.71 5.43 5.41 0.50 -1.32 119.36 131.58 3isr n ILE 232 Ca 0.12 0.07 -0.12 0.00 1.00 0.00 0.00 62.75 63.82 3isr n ILE 232 Cb 0.44 -2.23 -0.07 0.00 -0.71 0.00 0.00 39.64 37.07 3isr n ILE 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3isr s ALA 233 N -2.64 -0.83 0.21 -1.39 0.00 -1.08 -3.90 121.76 112.13 3isr s ALA 233 Ca -0.24 0.12 0.09 0.00 0.00 0.00 0.00 51.96 51.94 3isr s ALA 233 Cb 0.05 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 3isr s ALA 233 CO 0.38 -0.45 -0.17 0.95 0.00 0.00 0.00 175.76 176.48 3isr s THR 234 N -2.62 1.96 0.02 0.00 -4.23 -0.73 -0.80 115.64 109.24 3isr s THR 234 Ca -0.04 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.21 3isr s THR 234 Cb -0.01 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3isr s THR 234 CO -0.04 -0.46 0.38 0.61 -0.54 0.00 0.00 174.62 174.58 3isr n GLY 235 N -0.24 0.75 0.24 3.99 0.00 -0.58 -4.66 105.19 104.69 3isr n GLY 235 Ca -0.09 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3isr n GLY 235 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3isr h ARG 236 N 0.00 0.59 0.00 1.61 3.08 -1.93 0.17 114.38 117.91 3isr h ARG 236 Ca -0.08 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.74 3isr h ARG 236 Cb 0.38 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3isr h ARG 236 CO 0.11 0.83 0.08 -0.40 -1.07 0.00 0.00 179.97 179.52 3isr n ASP 237 N -4.08 -0.16 0.32 7.04 5.68 -1.26 -4.15 116.55 119.95 3isr n ASP 237 Ca -0.01 -1.06 0.21 0.00 -0.50 0.00 0.00 54.79 53.43 3isr n ASP 237 Cb 0.46 0.25 1.05 0.00 -1.14 0.00 0.00 41.12 41.74 3isr n ASP 237 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3isr h ALA 238 N 2.00 1.00 -0.44 2.12 0.00 -1.92 -1.30 119.26 120.72 3isr h ALA 238 Ca -0.03 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3isr h ALA 238 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3isr h ALA 238 CO 0.04 0.00 0.31 0.00 0.00 0.00 0.00 179.25 179.60 3isr h ALA 239 N 2.00 2.22 -0.13 0.00 0.00 -1.98 -2.03 119.26 119.33 3isr h ALA 239 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3isr h ALA 239 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3isr h ALA 239 CO 0.00 -0.33 0.00 -0.25 0.00 0.00 0.00 179.25 178.67 3isr n ASP 240 N -4.45 2.49 -2.73 0.00 8.00 -0.49 -4.57 116.55 114.80 3isr n ASP 240 Ca 0.07 -1.82 -0.02 0.00 0.71 0.00 0.00 54.79 53.73 3isr n ASP 240 Cb 0.41 -0.07 0.10 0.00 -0.02 0.00 0.00 41.12 41.54 3isr n ASP 240 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3isr n ALA 241 N 0.91 2.74 -1.77 2.24 0.00 -0.80 -4.83 120.51 119.00 3isr n ALA 241 Ca 0.17 -1.66 -0.37 0.00 0.00 0.00 0.00 53.44 51.58 3isr n ALA 241 Cb 0.49 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 3isr n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isr s ALA 242 N -1.28 3.01 0.15 0.00 0.00 -1.00 -4.92 121.76 117.72 3isr s ALA 242 Ca 0.16 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3isr s ALA 242 Cb 0.40 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3isr s ALA 242 CO -0.09 -0.54 1.78 0.28 0.00 0.00 0.00 175.76 177.18 3isr h VAL 243 N 1.98 1.13 -2.77 0.00 2.07 -1.91 -3.30 116.25 113.44 3isr h VAL 243 Ca -0.49 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 66.57 3isr h VAL 243 Cb 1.24 0.61 -0.30 0.00 -1.52 0.00 0.00 31.29 31.32 3isr h VAL 243 CO 0.61 0.13 -0.45 0.00 0.02 0.00 0.00 177.57 177.87 3isr s ALA 244 N -6.00 -0.77 -0.24 1.67 0.00 -1.26 -0.28 121.76 114.88 3isr s ALA 244 Ca -0.13 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.90 3isr s ALA 244 Cb 0.10 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 3isr s ALA 244 CO 0.73 -0.54 0.14 -1.12 0.00 0.00 0.00 175.76 174.97 3isr s SER 245 N 2.12 5.97 -0.22 0.00 0.01 -0.10 -4.97 113.70 116.51 3isr s SER 245 Ca -0.03 0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 3isr s SER 245 Cb -0.11 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 3isr s SER 245 CO -0.10 0.06 0.01 -0.63 0.41 0.00 0.00 173.24 172.99 3isr s ILE 246 N 1.07 3.86 -0.52 1.44 -1.09 -1.26 -1.71 121.20 122.99 3isr s ILE 246 Ca 0.07 -0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.11 3isr s ILE 246 Cb -0.14 -2.77 0.14 0.00 -1.58 0.00 0.00 42.46 38.11 3isr s ILE 246 CO 0.04 0.40 0.34 -0.36 -1.23 0.00 0.00 174.94 174.13 3isr s PHE 247 N 1.34 3.50 -3.13 3.97 0.40 0.26 -4.94 117.98 119.39 3isr s PHE 247 Ca 0.04 -2.43 0.00 0.00 -0.60 0.00 0.00 56.93 53.94 3isr s PHE 247 Cb -0.15 -3.28 0.00 0.00 0.51 0.00 0.00 43.02 40.10 3isr s PHE 247 CO 0.01 -0.93 0.00 0.41 0.70 0.00 0.00 175.22 175.41 3isr n GLY 248 N 4.19 0.62 2.78 4.36 0.00 -1.26 -1.00 105.19 114.87 3isr n GLY 248 Ca 0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 3isr n GLY 248 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3isr s ASN 249 N -4.00 4.14 -0.02 1.61 0.01 -1.26 -5.03 114.94 110.39 3isr s ASN 249 Ca 0.00 -1.71 -0.10 0.00 -0.71 0.00 0.00 52.86 50.34 3isr s ASN 249 Cb 0.00 -0.98 0.01 0.00 0.41 0.00 0.00 41.25 40.70 3isr s ASN 249 CO 0.00 -0.41 0.20 0.00 -1.51 0.00 0.00 177.10 175.38 3isr s ALA 250 N 1.51 -0.50 0.02 0.60 0.00 -1.26 -3.07 121.76 119.06 3isr s ALA 250 Ca 0.10 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3isr s ALA 250 Cb -0.17 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3isr s ALA 250 CO -0.23 -0.21 -0.10 -1.54 0.00 0.00 0.00 175.76 173.68 3isr s SER 251 N -1.09 1.22 0.43 0.00 1.04 -0.69 -4.99 113.70 109.61 3isr s SER 251 Ca -0.12 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 3isr s SER 251 Cb -0.06 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.90 3isr s SER 251 CO 0.02 0.01 1.09 -0.55 0.98 0.00 0.00 173.24 174.79 3isr s SER 252 N -0.88 6.48 0.00 7.02 0.15 -1.26 -1.31 113.70 123.90 3isr s SER 252 Ca -0.00 2.13 0.00 0.00 0.70 0.00 0.00 55.95 58.78 3isr s SER 252 Cb -0.07 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3isr s SER 252 CO 0.00 -0.69 0.00 0.35 1.20 0.00 0.00 173.24 174.10 3isr n THR 253 N -0.33 0.00 -4.39 6.45 -2.24 0.50 -4.89 114.28 109.39 3isr n THR 253 Ca 0.06 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 3isr n THR 253 Cb 0.49 -0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 67.75 3isr n THR 253 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3isr n ASN 254 N -1.86 0.10 0.00 3.42 5.15 -1.23 -4.98 115.26 115.85 3isr n ASN 254 Ca 0.00 -3.25 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 3isr n ASN 254 Cb 0.45 1.44 0.00 0.00 -0.53 0.00 0.00 39.78 41.14 3isr n ASN 254 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3isr n HIS 256 N -0.78 0.00 -3.89 1.20 8.25 -0.28 -1.03 115.22 118.69 3isr n HIS 256 Ca 0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.31 3isr n HIS 256 Cb 0.63 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.57 3isr n HIS 256 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3isr s VAL 257 N 0.00 0.16 0.04 1.59 1.01 -1.26 -0.40 120.40 121.53 3isr s VAL 257 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3isr s VAL 257 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3isr s VAL 257 CO 0.00 0.15 -0.04 -1.61 0.00 0.00 0.00 175.10 173.60 3isr s GLU 258 N 1.17 0.45 -0.07 2.72 2.02 -0.11 -3.70 118.70 121.18 3isr s GLU 258 Ca -0.08 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.05 3isr s GLU 258 Cb -0.13 0.06 0.04 0.00 0.10 0.00 0.00 34.13 34.20 3isr s GLU 258 CO -0.02 -0.05 0.17 0.00 0.02 0.00 0.00 175.26 175.38 3isr s ALA 260 N 1.04 1.20 0.03 0.00 0.00 0.65 -4.41 121.76 120.28 3isr s ALA 260 Ca -0.08 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 3isr s ALA 260 Cb -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3isr s ALA 260 CO -0.06 0.29 0.92 0.45 0.00 0.00 0.00 175.76 177.37 3isr s SER 261 N -0.37 7.35 0.00 0.00 0.15 -1.26 -1.26 113.70 118.31 3isr s SER 261 Ca 0.05 1.63 0.16 0.00 0.70 0.00 0.00 55.95 58.49 3isr s SER 261 Cb -0.06 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.94 3isr s SER 261 CO -0.00 -0.16 1.13 0.18 1.20 0.00 0.00 173.24 175.59 3isr n LEU 262 N 3.45 2.69 -4.82 3.45 4.77 -0.57 -4.95 117.00 121.02 3isr n LEU 262 Ca 0.03 -1.33 -0.33 0.00 -0.03 0.00 0.00 56.01 54.36 3isr n LEU 262 Cb 0.50 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3isr n LEU 262 CO 0.51 0.56 0.70 -1.81 -1.33 0.00 0.00 177.39 176.01 3isr s ASP 263 N -1.24 6.29 0.42 -1.43 1.01 -1.26 -4.96 116.67 115.52 3isr s ASP 263 Ca 0.24 1.72 0.10 0.00 0.71 0.00 0.00 52.55 55.32 3isr s ASP 263 Cb 0.15 -2.53 0.91 0.00 1.01 0.00 0.00 42.92 42.47 3isr s ASP 263 CO 0.21 -0.81 2.02 0.00 0.21 0.00 0.00 175.17 176.79 3isr h THR 264 N 0.89 1.11 -2.58 -1.27 1.03 -1.98 -3.38 112.91 106.74 3isr h THR 264 Ca -0.47 -0.41 -0.41 0.00 -0.01 0.00 0.00 66.41 65.11 3isr h THR 264 Cb 1.20 0.92 -0.37 0.00 -1.07 0.00 0.00 68.15 68.83 3isr h THR 264 CO 0.60 0.14 -0.70 -1.81 -0.01 0.00 0.00 175.52 173.74 3isr s ASP 265 N -6.85 2.31 -0.20 0.00 1.11 -1.26 -5.12 116.67 106.66 3isr s ASP 265 Ca -0.06 -0.78 -0.23 0.00 0.18 0.00 0.00 52.55 51.66 3isr s ASP 265 Cb 0.16 0.09 -0.02 0.00 1.07 0.00 0.00 42.92 44.23 3isr s ASP 265 CO 0.72 -0.39 0.71 0.12 1.18 0.00 0.00 175.17 177.52 3isr s PHE 266 N 2.24 3.37 -0.29 4.23 5.36 -1.26 -5.04 117.98 126.58 3isr s PHE 266 Ca 0.08 1.04 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 3isr s PHE 266 Cb -0.15 -2.90 0.05 0.00 -0.34 0.00 0.00 43.02 39.68 3isr s PHE 266 CO -0.26 -0.23 -0.02 -0.08 -1.46 0.00 0.00 175.22 173.17 3isr s THR 267 N 2.13 2.92 0.29 0.12 -1.32 -1.26 -5.10 115.64 113.42 3isr s THR 267 Ca 0.32 -1.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.14 3isr s THR 267 Cb -0.16 -2.66 -0.11 0.00 -1.51 0.00 0.00 72.50 68.06 3isr s THR 267 CO 0.10 -0.07 1.59 -2.16 -2.21 0.00 0.00 174.62 171.88 3isr s PRO 268 N 1.25 4.12 -0.20 7.08 0.04 -1.26 -4.99 135.00 141.05 3isr s PRO 268 Ca -0.05 2.57 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 3isr s PRO 268 Cb -0.19 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 3isr s PRO 268 CO -0.02 -0.63 0.09 0.12 0.04 0.00 0.00 177.00 176.61 3isr s PHE 269 N 0.00 3.28 0.02 0.56 5.36 -1.26 -5.03 117.98 120.90 3isr s PHE 269 Ca 0.63 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.73 3isr s PHE 269 Cb -0.48 -2.14 -0.01 0.00 -0.34 0.00 0.00 43.02 40.05 3isr s PHE 269 CO 0.48 0.12 -0.08 -1.58 -1.46 0.00 0.00 175.22 172.70 3isr s TRP 270 N 0.58 0.71 0.58 10.12 0.52 -1.26 -1.92 118.94 128.27 3isr s TRP 270 Ca 0.05 -0.29 -0.17 0.00 0.02 0.00 0.00 56.10 55.70 3isr s TRP 270 Cb -0.13 -0.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 3isr s TRP 270 CO 0.01 -0.03 1.09 0.71 0.02 0.00 0.00 176.95 178.75 3isr s TYR 271 N -0.73 2.81 -0.03 -1.98 2.02 -1.26 -5.06 117.35 113.13 3isr s TYR 271 Ca -0.02 1.54 0.02 0.00 -0.37 0.00 0.00 57.07 58.23 3isr s TYR 271 Cb -0.06 -3.13 0.01 0.00 -0.40 0.00 0.00 41.96 38.38 3isr s TYR 271 CO 0.00 -1.33 -0.06 0.34 -1.57 0.00 0.00 175.55 172.93 3isr s ASP 272 N -2.36 0.88 0.51 2.29 3.68 -1.26 -5.04 116.67 115.37 3isr s ASP 272 Ca 0.67 -0.13 0.30 0.00 2.13 0.00 0.00 52.55 55.52 3isr s ASP 272 Cb -0.19 -0.29 1.41 0.00 -1.45 0.00 0.00 42.92 42.41 3isr s ASP 272 CO 0.33 0.01 1.86 0.07 0.13 0.00 0.00 175.17 177.57 3isr h LYS 273 N 6.62 0.08 -0.04 4.34 5.09 -2.00 0.63 116.57 131.30 3isr h LYS 273 Ca -0.34 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.39 3isr h LYS 273 Cb 1.17 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.48 3isr h LYS 273 CO 0.49 0.06 0.00 0.09 -2.09 0.00 0.00 179.45 177.99 3isr n ASN 274 N -4.31 1.61 -4.22 7.07 3.02 -1.26 -4.73 115.26 112.44 3isr n ASN 274 Ca 0.21 -1.56 -0.37 0.00 -0.03 0.00 0.00 54.58 52.83 3isr n ASN 274 Cb 0.98 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 40.02 3isr n ASN 274 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3isr s SER 275 N -1.94 5.25 -1.36 6.41 0.01 0.21 -5.01 113.70 117.26 3isr s SER 275 Ca 0.37 -1.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.14 3isr s SER 275 Cb 0.21 -1.84 0.11 0.00 0.21 0.00 0.00 66.02 64.70 3isr s SER 275 CO 0.32 -0.38 2.09 0.18 0.41 0.00 0.00 173.24 175.87 3isr n LEU 276 N 4.74 6.95 -4.00 2.44 4.77 -1.26 -4.59 117.00 126.06 3isr n LEU 276 Ca -0.11 -4.48 -0.18 0.00 -0.03 0.00 0.00 56.01 51.21 3isr n LEU 276 Cb 0.43 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 39.84 3isr n LEU 276 CO 0.32 1.38 -0.43 -0.54 -1.33 0.00 0.00 177.39 176.79 3isr s LYS 277 N 1.30 0.71 -0.03 3.23 1.02 -1.26 -0.05 119.74 124.66 3isr s LYS 277 Ca 0.45 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 56.22 3isr s LYS 277 Cb 0.12 -0.69 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 3isr s LYS 277 CO -0.04 0.16 -0.24 0.20 -0.92 0.00 0.00 175.35 174.51 3isr s GLY 278 N -0.09 1.32 -0.11 -3.33 0.00 0.28 -4.91 107.32 100.49 3isr s GLY 278 Ca 0.02 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.47 3isr s GLY 278 CO -0.00 -0.85 0.51 -2.27 0.00 0.00 0.00 173.10 170.49 3isr s LEU 279 N -0.54 4.29 -0.11 0.66 0.20 -1.26 -0.54 118.68 121.37 3isr s LEU 279 Ca 0.08 0.88 -0.00 0.00 0.69 0.00 0.00 54.13 55.77 3isr s LEU 279 Cb -0.11 -2.76 0.02 0.00 -0.43 0.00 0.00 46.19 42.92 3isr s LEU 279 CO 0.00 -0.01 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.42 3isr s SER 280 N 0.62 2.10 -0.70 3.68 0.15 0.49 -1.53 113.70 118.52 3isr s SER 280 Ca 0.28 -0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 3isr s SER 280 Cb -0.16 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 3isr s SER 280 CO 0.12 -0.10 1.61 -0.36 1.20 0.00 0.00 173.24 175.70 3isr s PHE 281 N 1.60 1.96 0.00 3.44 0.08 -1.26 -0.77 117.98 123.03 3isr s PHE 281 Ca 0.03 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.44 3isr s PHE 281 Cb -0.13 -4.34 0.00 0.00 -0.57 0.00 0.00 43.02 37.98 3isr s PHE 281 CO -0.07 -2.17 0.00 0.00 -0.10 0.00 0.00 175.22 172.88