#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 -0.08 0.06 -1.77 1.13 -1.26 -3.41 117.35 112.03 3isr s TYR -5 Ca 0.00 0.08 -0.19 0.00 -1.41 0.00 0.00 57.07 55.54 3isr s TYR -5 Cb 0.00 0.03 -0.07 0.00 -1.10 0.00 0.00 41.96 40.83 3isr s TYR -5 CO 0.00 -0.35 0.57 0.12 -2.51 0.00 0.00 175.55 173.38 3isr s PHE -4 N -1.37 3.80 -0.17 -3.49 2.19 -0.24 -4.90 117.98 113.79 3isr s PHE -4 Ca -0.14 1.26 -0.04 0.00 0.33 0.00 0.00 56.93 58.35 3isr s PHE -4 Cb -0.06 -2.50 -0.02 0.00 -1.31 0.00 0.00 43.02 39.12 3isr s PHE -4 CO 0.03 0.57 -0.04 -1.14 1.83 0.00 0.00 175.22 176.47 3isr s GLN -3 N -1.02 3.61 0.86 10.12 0.74 -1.26 -0.55 119.66 132.16 3isr s GLN -3 Ca 0.29 -0.54 -0.10 0.00 0.05 0.00 0.00 55.36 55.05 3isr s GLN -3 Cb -0.19 -2.94 0.11 0.00 1.10 0.00 0.00 33.01 31.09 3isr s GLN -3 CO 0.19 0.15 1.11 -1.54 -0.55 0.00 0.00 175.29 174.64 3isr s SER -2 N 0.61 3.62 0.86 6.67 1.04 0.89 -5.01 113.70 122.38 3isr s SER -2 Ca -0.03 1.93 -0.12 0.00 0.48 0.00 0.00 55.95 58.21 3isr s SER -2 Cb -0.14 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.59 3isr s SER -2 CO 0.02 -2.62 1.12 0.20 0.98 0.00 0.00 173.24 172.95 3isr s ASN -1 N -3.07 3.92 0.89 7.02 0.01 -1.26 -4.69 114.94 117.77 3isr s ASN -1 Ca 0.64 1.08 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 3isr s ASN -1 Cb -0.20 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.76 3isr s ASN -1 CO 0.57 -2.30 0.00 0.00 -1.51 0.00 0.00 177.10 173.86 3isr n ALA 0 N -3.62 0.00 -3.64 0.60 0.00 -1.26 -4.69 120.51 107.90 3isr n ALA 0 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 3isr n ALA 0 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 3isr n ALA 0 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3isr s LYS 2 N -2.68 0.49 0.07 0.00 -0.14 -1.26 -4.89 119.74 111.32 3isr s LYS 2 Ca 0.00 0.72 0.03 0.00 -1.36 0.00 0.00 55.97 55.36 3isr s LYS 2 Cb 0.00 0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.28 3isr s LYS 2 CO 0.00 -0.08 -0.09 -0.06 -0.76 0.00 0.00 175.35 174.36 3isr s PHE 3 N 0.90 0.88 -0.18 3.18 0.08 0.11 -0.49 117.98 122.47 3isr s PHE 3 Ca -0.04 -0.59 -0.05 0.00 0.12 0.00 0.00 56.93 56.38 3isr s PHE 3 Cb -0.04 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 3isr s PHE 3 CO -0.11 -0.05 -0.01 -1.59 -0.10 0.00 0.00 175.22 173.35 3isr s LYS 4 N -2.19 3.68 0.09 0.44 -2.85 0.73 -0.66 119.74 118.98 3isr s LYS 4 Ca -0.02 -0.50 0.09 0.00 -1.00 0.00 0.00 55.97 54.54 3isr s LYS 4 Cb -0.06 -3.01 -0.03 0.00 -2.06 0.00 0.00 37.83 32.67 3isr s LYS 4 CO -0.00 0.16 -0.25 0.96 0.10 0.00 0.00 175.35 176.32 3isr s ILE 5 N 0.61 2.02 -0.15 3.79 -4.36 0.16 -1.32 121.20 121.93 3isr s ILE 5 Ca -0.01 -1.54 -0.13 0.00 -0.26 0.00 0.00 60.65 58.71 3isr s ILE 5 Cb -0.14 -1.77 0.04 0.00 1.25 0.00 0.00 42.46 41.84 3isr s ILE 5 CO 0.02 0.14 0.40 -2.28 0.24 0.00 0.00 174.94 173.47 3isr s HIS 6 N -0.98 -0.46 0.03 1.37 2.46 -0.27 -0.33 115.29 117.11 3isr s HIS 6 Ca 0.11 1.11 0.01 0.00 0.47 0.00 0.00 55.06 56.76 3isr s HIS 6 Cb -0.10 0.16 -0.02 0.00 -0.13 0.00 0.00 32.58 32.50 3isr s HIS 6 CO 0.04 -0.23 -0.05 -1.54 -2.47 0.00 0.00 174.74 170.49 3isr s SER 7 N 0.37 0.57 0.02 9.88 1.04 0.58 -0.13 113.70 126.03 3isr s SER 7 Ca -0.01 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.98 3isr s SER 7 Cb -0.04 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3isr s SER 7 CO -0.01 -0.18 -0.03 1.51 0.98 0.00 0.00 173.24 175.51 3isr s ASP 8 N -1.24 0.22 -0.03 7.02 -4.77 0.13 0.54 116.67 118.54 3isr s ASP 8 Ca -0.10 -0.42 -0.04 0.00 -3.30 0.00 0.00 52.55 48.70 3isr s ASP 8 Cb -0.08 0.08 0.01 0.00 -1.09 0.00 0.00 42.92 41.84 3isr s ASP 8 CO -0.00 -0.25 0.10 -0.63 0.70 0.00 0.00 175.17 175.09 3isr s ILE 9 N -1.21 0.02 -0.05 2.11 1.01 -1.26 -1.09 121.20 120.73 3isr s ILE 9 Ca -0.13 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.39 3isr s ILE 9 Cb -0.08 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 3isr s ILE 9 CO -0.01 -0.10 -0.21 -0.89 0.00 0.00 0.00 174.94 173.73 3isr s THR 10 N -0.29 1.72 0.02 2.92 2.01 -0.23 -4.29 115.64 117.50 3isr s THR 10 Ca -0.04 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.16 3isr s THR 10 Cb -0.03 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 3isr s THR 10 CO 0.00 0.48 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.86 3isr s TYR 11 N -0.12 2.14 -0.20 4.92 2.02 -0.21 0.40 117.35 126.30 3isr s TYR 11 Ca -0.02 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 3isr s TYR 11 Cb -0.12 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 3isr s TYR 11 CO 0.02 0.06 0.26 1.14 -1.57 0.00 0.00 175.55 175.46 3isr s GLN 12 N -0.97 4.18 0.40 -0.62 -2.07 -0.29 -2.09 119.66 118.18 3isr s GLN 12 Ca 0.10 -0.02 0.08 0.00 -1.82 0.00 0.00 55.36 53.69 3isr s GLN 12 Cb -0.09 -3.49 -0.02 0.00 -1.09 0.00 0.00 33.01 28.32 3isr s GLN 12 CO 0.01 0.12 0.39 0.08 -1.32 0.00 0.00 175.29 174.58 3isr s VAL 13 N 0.84 2.95 0.99 3.63 1.01 0.28 -2.02 120.40 128.08 3isr s VAL 13 Ca 0.13 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 60.62 3isr s VAL 13 Cb -0.13 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 3isr s VAL 13 CO 0.04 -0.04 -0.81 -1.54 0.00 0.00 0.00 175.10 172.75 3isr n SER 15 N -1.56 -2.73 -4.68 3.32 3.41 -1.14 -0.44 113.62 109.80 3isr n SER 15 Ca 0.03 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 3isr n SER 15 Cb 0.61 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3isr n SER 15 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3isr s PRO 16 N -2.53 4.14 -0.01 4.33 0.02 -1.26 -4.16 135.00 135.51 3isr s PRO 16 Ca 0.38 2.61 0.01 0.00 0.02 0.00 0.00 61.00 64.03 3isr s PRO 16 Cb 0.02 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.73 3isr s PRO 16 CO 0.57 -0.89 -0.04 0.99 -0.33 0.00 0.00 177.00 177.29 3isr s THR 17 N 3.41 0.40 -0.13 0.99 2.01 -0.65 -4.56 115.64 117.12 3isr s THR 17 Ca 0.84 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 3isr s THR 17 Cb -0.45 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3isr s THR 17 CO 0.38 0.14 0.03 -0.89 -0.69 0.00 0.00 174.62 173.60 3isr s THR 18 N 0.21 4.57 -0.05 -0.82 2.01 -0.31 -0.30 115.64 120.94 3isr s THR 18 Ca -0.02 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.88 3isr s THR 18 Cb -0.06 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3isr s THR 18 CO -0.00 0.55 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 3isr s PHE 19 N -0.38 2.70 -0.19 4.92 0.08 -0.12 -0.42 117.98 124.57 3isr s PHE 19 Ca 0.08 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 56.98 3isr s PHE 19 Cb -0.12 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3isr s PHE 19 CO 0.02 0.18 -0.14 0.42 -0.10 0.00 0.00 175.22 175.60 3isr s ILE 20 N -0.72 1.81 0.15 0.64 1.01 -0.27 -2.26 121.20 121.56 3isr s ILE 20 Ca 0.11 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3isr s ILE 20 Cb -0.11 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3isr s ILE 20 CO 0.00 0.30 0.15 -0.36 0.00 0.00 0.00 174.94 175.04 3isr s PHE 21 N 1.35 3.20 -0.44 3.97 0.08 0.78 -0.32 117.98 126.59 3isr s PHE 21 Ca 0.01 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.10 3isr s PHE 21 Cb -0.15 -1.55 0.15 0.00 -0.57 0.00 0.00 43.02 40.90 3isr s PHE 21 CO -0.10 0.52 0.29 1.21 -0.10 0.00 0.00 175.22 177.05 3isr s ASN 22 N -3.04 2.96 0.00 1.36 2.47 0.04 -1.57 114.94 117.16 3isr s ASN 22 Ca 0.31 -2.81 0.00 0.00 0.42 0.00 0.00 52.86 50.79 3isr s ASN 22 Cb -0.10 -0.77 0.00 0.00 -1.45 0.00 0.00 41.25 38.92 3isr s ASN 22 CO 0.24 -0.22 0.00 1.33 -3.72 0.00 0.00 177.10 174.72 3isr n VAL 23 N 3.26 0.00 -1.98 -5.21 0.24 -1.26 -4.66 118.33 108.71 3isr n VAL 23 Ca 0.17 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.08 3isr n VAL 23 Cb 0.39 0.23 -0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.70 2.74 0.46 6.34 3.76 -1.26 -4.98 115.29 120.63 3isr s HIS 24 Ca 0.00 1.36 -0.24 0.00 -0.15 0.00 0.00 55.06 56.03 3isr s HIS 24 Cb 0.00 -3.76 -0.07 0.00 1.11 0.00 0.00 32.58 29.86 3isr s HIS 24 CO 0.00 -2.34 1.22 0.00 -0.85 0.00 0.00 174.74 172.77 3isr s ALA 25 N -1.23 3.02 0.44 -1.40 0.00 -1.26 -4.62 121.76 116.72 3isr s ALA 25 Ca 0.57 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 3isr s ALA 25 Cb -0.40 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.18 3isr s ALA 25 CO 0.52 -0.78 0.97 -1.17 0.00 0.00 0.00 175.76 175.30 3isr s LEU 26 N -2.92 3.93 -0.28 0.00 2.96 -0.35 -4.92 118.68 117.09 3isr s LEU 26 Ca 0.63 1.75 -0.11 0.00 -0.22 0.00 0.00 54.13 56.18 3isr s LEU 26 Cb -0.32 -4.52 -0.04 0.00 0.50 0.00 0.00 46.19 41.80 3isr s LEU 26 CO 0.40 -0.45 0.18 -0.13 -1.32 0.00 0.00 176.35 175.03 3isr s ARG 27 N -3.15 3.85 0.37 1.98 0.52 -1.26 -4.70 118.95 116.56 3isr s ARG 27 Ca 0.63 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 55.50 3isr s ARG 27 Cb -0.11 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 3isr s ARG 27 CO 0.15 -0.22 0.16 0.95 0.02 0.00 0.00 175.30 176.37 3isr s THR 28 N 1.74 0.44 0.57 0.02 -4.23 -0.50 -4.99 115.64 108.69 3isr s THR 28 Ca 0.07 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.91 3isr s THR 28 Cb -0.16 -2.41 0.37 0.00 1.34 0.00 0.00 72.50 71.64 3isr s THR 28 CO 0.10 0.00 2.25 1.05 -0.54 0.00 0.00 174.62 177.48 3isr h GLU 29 N 1.93 0.00 0.00 3.99 9.09 -1.99 -3.13 114.58 124.48 3isr h GLU 29 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3isr h GLU 29 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3isr h GLU 29 CO 0.52 0.02 -0.60 -1.13 0.05 0.00 0.00 179.01 177.86 3isr n SER 30 N -3.62 0.97 -4.05 3.06 3.41 -1.26 -4.94 113.62 107.18 3isr n SER 30 Ca -0.03 -0.54 -0.31 0.00 -0.26 0.00 0.00 58.87 57.74 3isr n SER 30 Cb 0.11 1.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.98 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 -1.95 2.46 -0.04 4.33 0.74 -1.18 -1.93 119.66 122.09 3isr s GLN 31 Ca 0.02 -0.63 0.06 0.00 0.05 0.00 0.00 55.36 54.86 3isr s GLN 31 Cb 0.06 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.98 3isr s GLN 31 CO 0.34 -0.19 -0.22 -1.01 -0.55 0.00 0.00 175.29 173.66 3isr s HIS 32 N 1.32 2.15 -0.37 1.67 3.76 -0.40 -1.40 115.29 122.02 3isr s HIS 32 Ca 0.02 -0.58 -0.18 0.00 -0.15 0.00 0.00 55.06 54.17 3isr s HIS 32 Cb -0.13 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.14 3isr s HIS 32 CO -0.09 -0.16 0.50 0.42 -0.85 0.00 0.00 174.74 174.56 3isr s ILE 33 N -0.20 5.03 0.08 0.60 1.01 -1.26 -1.12 121.20 125.33 3isr s ILE 33 Ca -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 3isr s ILE 33 Cb -0.12 -3.99 -0.28 0.00 0.01 0.00 0.00 42.46 38.08 3isr s ILE 33 CO 0.02 -0.28 1.14 -0.07 0.00 0.00 0.00 174.94 175.76 3isr h LEU 34 N 9.11 0.53 -7.09 2.97 3.38 -1.62 -3.47 115.31 119.11 3isr h LEU 34 Ca -0.28 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.09 3isr h LEU 34 Cb 1.12 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.48 3isr h LEU 34 CO 0.78 1.40 0.03 -0.62 0.09 0.00 0.00 178.44 180.12 3isr s ASP 35 N -7.22 -0.65 0.02 -0.43 2.15 -1.12 -5.00 116.67 104.43 3isr s ASP 35 Ca -0.05 1.21 -0.09 0.00 0.43 0.00 0.00 52.55 54.05 3isr s ASP 35 Cb 0.07 1.22 0.00 0.00 -0.30 0.00 0.00 42.92 43.91 3isr s ASP 35 CO 0.89 -0.25 0.18 -1.83 -0.17 0.00 0.00 175.17 174.00 3isr s GLU 36 N 0.20 0.62 -0.04 4.34 -1.05 -1.26 -0.21 118.70 121.30 3isr s GLU 36 Ca -0.01 -0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 54.25 3isr s GLU 36 Cb -0.04 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.93 3isr s GLU 36 CO 0.02 -0.17 0.09 0.45 0.95 0.00 0.00 175.26 176.60 3isr s SER 37 N -1.81 -0.06 -0.18 0.83 0.15 0.63 -4.99 113.70 108.27 3isr s SER 37 Ca -0.09 0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.76 3isr s SER 37 Cb -0.03 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 3isr s SER 37 CO -0.02 -0.09 -0.12 -0.22 1.20 0.00 0.00 173.24 173.99 3isr s LEU 38 N 0.66 2.02 -0.14 3.45 2.96 -1.26 -1.26 118.68 125.11 3isr s LEU 38 Ca -0.05 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.17 3isr s LEU 38 Cb -0.07 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.41 3isr s LEU 38 CO -0.03 -0.10 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.06 3isr s ILE 39 N 1.43 2.00 -0.18 6.68 -1.09 0.32 -4.98 121.20 125.38 3isr s ILE 39 Ca 0.02 -0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 3isr s ILE 39 Cb -0.15 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 3isr s ILE 39 CO -0.09 0.54 0.05 -0.69 -1.23 0.00 0.00 174.94 173.51 3isr s VAL 40 N 0.88 4.68 -0.23 2.92 1.01 -1.26 0.03 120.40 128.42 3isr s VAL 40 Ca -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 3isr s VAL 40 Cb -0.15 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3isr s VAL 40 CO -0.03 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.54 3isr s THR 41 N 0.41 2.59 0.97 3.92 2.01 0.17 -2.84 115.64 122.88 3isr s THR 41 Ca 0.02 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.83 3isr s THR 41 Cb -0.13 -2.28 0.17 0.00 0.01 0.00 0.00 72.50 70.27 3isr s THR 41 CO 0.01 0.27 1.13 -2.16 -0.69 0.00 0.00 174.62 173.17 3isr s PRO 42 N 1.29 0.67 -0.02 4.92 0.04 -1.26 -0.05 135.00 140.59 3isr s PRO 42 Ca 0.00 0.28 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 3isr s PRO 42 Cb -0.16 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 3isr s PRO 42 CO -0.07 -2.52 1.89 -2.14 0.04 0.00 0.00 177.00 174.21 3isr s PRO 43 N -5.23 4.04 -0.06 0.56 0.02 -1.13 -4.90 135.00 128.31 3isr s PRO 43 Ca 0.65 2.40 0.05 0.00 0.02 0.00 0.00 61.00 64.12 3isr s PRO 43 Cb -0.15 -4.13 -0.02 0.00 0.02 0.00 0.00 34.50 30.22 3isr s PRO 43 CO 0.55 -1.05 -0.20 0.42 -0.33 0.00 0.00 177.00 176.39 3isr s ILE 44 N 4.73 2.52 0.16 2.83 1.01 -1.26 -5.09 121.20 126.09 3isr s ILE 44 Ca 0.85 -0.91 -0.34 0.00 0.00 0.00 0.00 60.65 60.25 3isr s ILE 44 Cb -0.38 -1.95 -0.15 0.00 0.01 0.00 0.00 42.46 39.98 3isr s ILE 44 CO 0.37 0.57 1.38 1.21 0.00 0.00 0.00 174.94 178.48 3isr n GLU 45 N 2.72 1.62 -3.92 2.79 2.13 -1.26 -4.93 120.64 119.79 3isr n GLU 45 Ca -0.17 0.58 -0.12 0.00 0.66 0.00 0.00 57.16 58.10 3isr n GLU 45 Cb 0.52 -2.23 -0.14 0.00 0.27 0.00 0.00 31.44 29.86 3isr n GLU 45 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3isr s ILE 46 N 0.34 0.07 -0.05 6.31 2.07 -1.26 -4.51 121.20 124.17 3isr s ILE 46 Ca 0.77 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.98 3isr s ILE 46 Cb -0.79 -0.07 0.00 0.00 0.13 0.00 0.00 42.46 41.73 3isr s ILE 46 CO 0.46 -0.00 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.64 3isr s GLU 47 N -0.07 1.65 -0.04 3.50 2.12 -0.56 -4.95 118.70 120.35 3isr s GLU 47 Ca -0.00 -0.51 -0.15 0.00 0.36 0.00 0.00 54.97 54.67 3isr s GLU 47 Cb -0.01 -1.41 -0.05 0.00 0.26 0.00 0.00 34.13 32.92 3isr s GLU 47 CO -0.00 0.16 0.39 -2.00 -0.54 0.00 0.00 175.26 173.27 3isr s GLU 48 N 0.24 4.01 0.19 4.30 2.12 -1.26 -0.12 118.70 128.17 3isr s GLU 48 Ca -0.07 0.36 -0.08 0.00 0.36 0.00 0.00 54.97 55.54 3isr s GLU 48 Cb -0.12 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 3isr s GLU 48 CO 0.02 0.55 0.29 -0.59 -0.54 0.00 0.00 175.26 175.00 3isr s PHE 49 N -0.60 0.55 0.10 5.30 -0.71 0.37 -4.98 117.98 118.01 3isr s PHE 49 Ca 0.23 -0.89 0.02 0.00 -1.04 0.00 0.00 56.93 55.25 3isr s PHE 49 Cb -0.16 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 3isr s PHE 49 CO 0.11 -0.76 -0.07 -1.12 -1.34 0.00 0.00 175.22 172.04 3isr s SER 50 N -3.02 1.20 0.99 1.98 0.01 -1.26 -0.46 113.70 113.14 3isr s SER 50 Ca 0.23 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 3isr s SER 50 Cb 0.03 0.07 0.18 0.00 0.21 0.00 0.00 66.02 66.51 3isr s SER 50 CO 0.04 -0.40 1.09 -0.31 0.41 0.00 0.00 173.24 174.08 3isr s TYR 51 N -3.20 2.11 0.39 2.43 2.02 -1.26 -4.92 117.35 114.92 3isr s TYR 51 Ca 0.09 1.04 0.13 0.00 -0.37 0.00 0.00 57.07 57.96 3isr s TYR 51 Cb 0.02 -3.24 0.96 0.00 -0.40 0.00 0.00 41.96 39.30 3isr s TYR 51 CO -0.03 -2.85 1.86 -0.91 -1.57 0.00 0.00 175.55 172.04 3isr h ASN 52 N -1.87 0.52 -0.15 2.29 2.35 -2.01 -2.05 115.58 114.66 3isr h ASN 52 Ca -0.54 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 3isr h ASN 52 Cb 1.32 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3isr h ASN 52 CO 0.57 0.23 0.00 0.77 -1.65 0.00 0.00 177.43 177.35 3isr h SER 53 N 0.53 0.35 -0.54 5.81 4.64 -2.00 -3.47 113.55 118.87 3isr h SER 53 Ca 0.46 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.58 3isr h SER 53 Cb 0.97 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 3isr h SER 53 CO -0.20 0.41 -0.15 0.61 -0.87 0.00 0.00 176.83 176.62 3isr n GLY 54 N -1.05 0.75 1.82 -0.77 0.00 -0.77 -4.93 105.19 100.24 3isr n GLY 54 Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.07 2.85 -3.53 2.61 -2.24 -1.26 -4.90 114.28 104.74 3isr n THR 55 Ca -0.08 -1.79 -0.13 0.00 -2.27 0.00 0.00 64.05 59.78 3isr n THR 55 Cb 0.33 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.29 -0.50 -0.31 3.42 1.04 -1.26 -2.10 113.70 112.69 3isr s SER 56 Ca 0.53 0.41 -0.03 0.00 0.48 0.00 0.00 55.95 57.34 3isr s SER 56 Cb 0.43 0.44 0.05 0.00 0.10 0.00 0.00 66.02 67.03 3isr s SER 56 CO 0.12 -0.56 0.04 -0.13 0.98 0.00 0.00 173.24 173.69 3isr s ARG 57 N -1.75 2.50 0.11 4.02 0.52 -1.26 -4.55 118.95 118.53 3isr s ARG 57 Ca -0.04 -1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 53.90 3isr s ARG 57 Cb -0.00 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 3isr s ARG 57 CO 0.01 -0.64 0.33 -0.06 0.02 0.00 0.00 175.30 174.97 3isr s PHE 58 N 1.31 3.49 -0.01 -0.53 0.08 0.39 -4.41 117.98 118.30 3isr s PHE 58 Ca -0.04 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.54 3isr s PHE 58 Cb -0.20 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 3isr s PHE 58 CO 0.00 0.48 -0.13 0.14 -0.10 0.00 0.00 175.22 175.62 3isr s VAL 59 N -1.60 1.01 0.05 -0.44 -7.23 -0.61 -0.48 120.40 111.11 3isr s VAL 59 Ca 0.39 -0.54 0.05 0.00 -1.81 0.00 0.00 61.98 60.06 3isr s VAL 59 Cb -0.12 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 3isr s VAL 59 CO 0.25 0.29 -0.13 0.00 -0.31 0.00 0.00 175.10 175.19 3isr s ARG 60 N -0.24 0.81 0.12 4.82 1.70 0.82 -0.16 118.95 126.83 3isr s ARG 60 Ca 0.04 -0.82 -0.14 0.00 -0.47 0.00 0.00 55.73 54.33 3isr s ARG 60 Cb -0.06 -0.79 0.02 0.00 -0.57 0.00 0.00 34.95 33.56 3isr s ARG 60 CO -0.00 0.18 0.35 -0.48 -1.08 0.00 0.00 175.30 174.27 3isr s LEU 61 N -1.43 0.64 0.08 -1.89 0.05 -0.96 -1.49 118.68 113.68 3isr s LEU 61 Ca -0.02 -0.42 0.08 0.00 0.05 0.00 0.00 54.13 53.83 3isr s LEU 61 Cb -0.09 1.65 -0.04 0.00 -2.05 0.00 0.00 46.19 45.66 3isr s LEU 61 CO 0.02 -0.84 -0.19 -1.59 -0.55 0.00 0.00 176.35 173.20 3isr s LYS 62 N -3.83 1.87 -0.01 1.48 -2.85 -1.26 -0.94 119.74 114.20 3isr s LYS 62 Ca 0.04 -1.11 0.04 0.00 -1.00 0.00 0.00 55.97 53.95 3isr s LYS 62 Cb 0.02 -2.12 -0.01 0.00 -2.06 0.00 0.00 37.83 33.67 3isr s LYS 62 CO -0.11 0.50 -0.14 0.00 0.10 0.00 0.00 175.35 175.71 3isr s ALA 63 N -1.02 1.13 0.49 0.59 0.00 0.59 -4.92 121.76 118.61 3isr s ALA 63 Ca 0.16 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 3isr s ALA 63 Cb -0.10 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 3isr s ALA 63 CO 0.07 0.28 0.92 -0.08 0.00 0.00 0.00 175.76 176.94 3isr s THR 64 N -0.32 4.65 0.62 0.00 -1.32 -1.26 -1.63 115.64 116.37 3isr s THR 64 Ca 0.05 0.95 -0.19 0.00 -1.21 0.00 0.00 61.69 61.29 3isr s THR 64 Cb -0.05 -3.75 -0.02 0.00 -1.51 0.00 0.00 72.50 67.17 3isr s THR 64 CO -0.01 -0.70 1.32 -1.83 -2.21 0.00 0.00 174.62 171.19 3isr s GLU 65 N -4.18 2.71 -1.33 7.08 1.03 -1.26 -3.50 118.70 119.26 3isr s GLU 65 Ca 0.56 2.12 -0.02 0.00 0.03 0.00 0.00 54.97 57.66 3isr s GLU 65 Cb -0.10 -1.96 0.01 0.00 -0.80 0.00 0.00 34.13 31.28 3isr s GLU 65 CO 0.35 -1.49 0.76 0.09 -1.33 0.00 0.00 175.26 173.63 3isr n ASN 66 N -1.66 -1.74 -4.30 0.83 3.02 0.41 -4.95 115.26 106.87 3isr n ASN 66 Ca 0.14 -0.80 -0.16 0.00 -0.03 0.00 0.00 54.58 53.73 3isr n ASN 66 Cb 0.47 -4.09 -0.10 0.00 -0.61 0.00 0.00 39.78 35.44 3isr n ASN 66 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3isr s THR 67 N -3.61 0.50 0.14 3.41 -4.23 -1.14 -5.00 115.64 105.71 3isr s THR 67 Ca 0.10 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3isr s THR 67 Cb -0.05 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 3isr s THR 67 CO 0.81 -0.03 -0.17 0.42 -0.54 0.00 0.00 174.62 175.12 3isr s THR 68 N -3.80 1.59 0.08 3.99 -4.23 -1.26 -0.56 115.64 111.45 3isr s THR 68 Ca 0.37 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 3isr s THR 68 Cb 0.08 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 72.24 3isr s THR 68 CO 0.13 -0.34 0.24 0.72 -0.54 0.00 0.00 174.62 174.83 3isr s PHE 69 N -2.03 0.04 0.00 3.99 -0.12 -0.89 -4.66 117.98 114.31 3isr s PHE 69 Ca 0.12 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 3isr s PHE 69 Cb -0.06 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 3isr s PHE 69 CO 0.05 -0.55 0.00 0.43 -0.05 0.00 0.00 175.22 175.10 3isr n SER 70 N 0.13 1.58 -3.65 1.98 7.64 0.93 -1.05 113.62 121.18 3isr n SER 70 Ca -0.16 -0.59 0.02 0.00 1.01 0.00 0.00 58.87 59.15 3isr n SER 70 Cb 0.62 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 3isr n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3isr s SER 72 N -0.18 -0.05 -0.08 6.43 0.15 0.10 0.46 113.70 120.53 3isr s SER 72 Ca 0.00 0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.77 3isr s SER 72 Cb 0.00 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 3isr s SER 72 CO 0.00 -0.01 -0.19 -0.47 1.20 0.00 0.00 173.24 173.77 3isr s TYR 73 N 1.01 2.03 -0.00 3.44 5.04 0.19 -0.52 117.35 128.54 3isr s TYR 73 Ca -0.08 -0.77 0.01 0.00 -2.44 0.00 0.00 57.07 53.79 3isr s TYR 73 Cb -0.02 -1.39 -0.00 0.00 0.35 0.00 0.00 41.96 40.89 3isr s TYR 73 CO -0.10 -0.33 -0.04 0.99 -1.34 0.00 0.00 175.55 174.74 3isr s THR 74 N 0.42 0.30 0.08 4.34 2.01 -0.39 -0.31 115.64 122.09 3isr s THR 74 Ca -0.15 -0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 3isr s THR 74 Cb -0.16 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.13 3isr s THR 74 CO 0.06 0.09 0.44 0.00 -0.69 0.00 0.00 174.62 174.52 3isr s ALA 75 N -0.07 -1.07 -0.12 7.40 0.00 0.55 -0.27 121.76 128.18 3isr s ALA 75 Ca 0.01 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3isr s ALA 75 Cb -0.02 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 3isr s ALA 75 CO -0.00 -0.54 -0.17 0.99 0.00 0.00 0.00 175.76 176.04 3isr s THR 76 N -2.96 2.70 -0.02 0.00 2.01 0.70 0.36 115.64 118.43 3isr s THR 76 Ca -0.02 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 3isr s THR 76 Cb 0.00 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.41 3isr s THR 76 CO -0.06 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 3isr s VAL 77 N 0.38 0.02 -0.00 3.82 1.01 0.16 -1.45 120.40 124.34 3isr s VAL 77 Ca -0.13 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3isr s VAL 77 Cb -0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3isr s VAL 77 CO 0.06 -0.09 -0.09 1.51 0.00 0.00 0.00 175.10 176.49 3isr s ASP 78 N -0.26 4.46 0.24 3.32 1.47 -0.28 0.10 116.67 125.72 3isr s ASP 78 Ca -0.03 -0.18 0.09 0.00 1.18 0.00 0.00 52.55 53.61 3isr s ASP 78 Cb -0.02 -1.00 -0.05 0.00 -0.34 0.00 0.00 42.92 41.51 3isr s ASP 78 CO 0.00 0.29 -0.14 0.42 0.68 0.00 0.00 175.17 176.42 3isr s THR 79 N -0.95 1.95 0.03 2.11 -4.23 -1.26 -1.28 115.64 112.02 3isr s THR 79 Ca 0.16 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3isr s THR 79 Cb -0.11 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 3isr s THR 79 CO 0.06 -0.48 -0.05 0.00 -0.54 0.00 0.00 174.62 173.61 3isr s GLN 80 N -3.62 0.44 0.05 3.99 -2.07 -0.81 -4.34 119.66 113.30 3isr s GLN 80 Ca 0.26 -0.77 -0.02 0.00 -1.82 0.00 0.00 55.36 53.02 3isr s GLN 80 Cb -0.01 -0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.85 3isr s GLN 80 CO 0.10 -0.02 -0.01 1.52 -1.32 0.00 0.00 175.29 175.56 3isr s TYR 81 N -1.83 0.47 0.08 9.60 -0.85 -1.26 -3.32 117.35 120.24 3isr s TYR 81 Ca -0.10 -1.00 0.06 0.00 -0.52 0.00 0.00 57.07 55.51 3isr s TYR 81 Cb -0.07 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 3isr s TYR 81 CO -0.02 -0.39 -0.07 0.15 -1.52 0.00 0.00 175.55 173.71 3isr s LYS 82 N -3.80 2.31 -0.24 -3.49 1.02 -0.16 -0.08 119.74 115.30 3isr s LYS 82 Ca 0.06 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.09 3isr s LYS 82 Cb 0.07 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 3isr s LYS 82 CO -0.10 0.53 -0.03 0.08 -0.92 0.00 0.00 175.35 174.91 3isr s VAL 83 N -1.20 3.23 -0.18 3.17 1.01 0.29 -1.19 120.40 125.53 3isr s VAL 83 Ca 0.22 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3isr s VAL 83 Cb -0.11 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3isr s VAL 83 CO 0.14 0.27 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 3isr s ILE 84 N 1.41 3.29 0.34 2.22 1.01 0.11 -1.08 121.20 128.51 3isr s ILE 84 Ca 0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3isr s ILE 84 Cb -0.16 -2.45 -0.10 0.00 0.01 0.00 0.00 42.46 39.76 3isr s ILE 84 CO -0.03 0.47 1.36 -0.62 0.00 0.00 0.00 174.94 176.12 3isr s ASP 85 N 0.97 6.64 0.00 3.58 2.15 -1.22 -0.03 116.67 128.76 3isr s ASP 85 Ca -0.01 2.80 0.04 0.00 0.43 0.00 0.00 52.55 55.81 3isr s ASP 85 Cb -0.15 -2.65 0.05 0.00 -0.30 0.00 0.00 42.92 39.87 3isr s ASP 85 CO -0.00 -0.64 0.74 0.00 -0.17 0.00 0.00 175.17 175.10 3isr n GLN 86 N 0.72 0.38 -0.27 4.34 1.13 0.29 -4.76 117.38 119.21 3isr n GLN 86 Ca 0.00 -0.97 0.16 0.00 -1.94 0.00 0.00 57.00 54.25 3isr n GLN 86 Cb 0.41 -1.08 0.44 0.00 0.11 0.00 0.00 30.24 30.12 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 0.79 0.53 -1.70 -1.09 -0.00 -1.91 0.80 114.38 111.79 3isr h ARG 87 Ca 0.00 -0.03 -0.41 0.00 -0.50 0.00 0.00 59.98 59.04 3isr h ARG 87 Cb 0.27 -0.12 -0.16 0.00 0.00 0.00 0.00 29.97 29.96 3isr h ARG 87 CO 0.00 0.35 0.42 1.04 0.00 0.00 0.00 179.97 181.78 3isr n GLN 88 N -4.57 2.10 -2.32 0.04 6.02 -1.26 -4.99 117.38 112.40 3isr n GLN 88 Ca 0.19 -1.96 -0.41 0.00 -0.01 0.00 0.00 57.00 54.81 3isr n GLN 88 Cb 0.61 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3isr n GLN 88 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3isr s GLU 89 N -1.84 4.50 0.82 -1.09 0.41 0.27 -5.01 118.70 116.77 3isr s GLU 89 Ca 0.45 1.97 -0.11 0.00 -0.41 0.00 0.00 54.97 56.87 3isr s GLU 89 Cb 0.31 -3.16 0.09 0.00 -1.78 0.00 0.00 34.13 29.59 3isr s GLU 89 CO -0.10 -0.01 1.12 -0.51 -0.49 0.00 0.00 175.26 175.27 3isr s LEU 90 N -1.20 2.98 0.21 1.80 1.43 -1.26 -4.72 118.68 117.93 3isr s LEU 90 Ca 0.49 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.60 3isr s LEU 90 Cb -0.35 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 41.51 3isr s LEU 90 CO 0.44 -2.47 1.52 -0.33 0.23 0.00 0.00 176.35 175.74 3isr h GLU 91 N -1.35 0.35 -4.23 1.70 3.07 -1.96 -2.45 114.58 109.71 3isr h GLU 91 Ca -0.44 -0.24 -0.17 0.00 -0.50 0.00 0.00 59.36 58.02 3isr h GLU 91 Cb 1.25 0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 29.06 3isr h GLU 91 CO 0.47 0.85 -0.46 0.95 -1.40 0.00 0.00 179.01 179.43 3isr s THR 92 N -3.79 0.03 -0.10 1.13 -4.23 -1.26 -4.47 115.64 102.95 3isr s THR 92 Ca -0.05 -1.74 -0.26 0.00 -1.18 0.00 0.00 61.69 58.45 3isr s THR 92 Cb 0.11 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 3isr s THR 92 CO 0.82 -0.13 0.86 -0.69 -0.54 0.00 0.00 174.62 174.94 3isr s VAL 93 N -4.08 4.90 -1.21 2.29 1.01 -1.26 -4.99 120.40 117.07 3isr s VAL 93 Ca 0.29 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 3isr s VAL 93 Cb 0.05 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.28 3isr s VAL 93 CO 0.08 0.10 1.73 -2.16 0.00 0.00 0.00 175.10 174.84 3isr s PRO 94 N 1.61 3.59 0.26 2.72 0.04 -1.26 -4.83 135.00 137.13 3isr s PRO 94 Ca 0.42 -1.61 -0.01 0.00 0.04 0.00 0.00 61.00 59.84 3isr s PRO 94 Cb -0.18 -5.43 0.51 0.00 0.04 0.00 0.00 34.50 29.43 3isr s PRO 94 CO 0.18 -2.60 1.78 0.28 0.04 0.00 0.00 177.00 176.68 3isr h VAL 95 N 5.99 0.80 -0.02 -0.36 2.07 -1.94 0.21 116.25 122.99 3isr h VAL 95 Ca 0.35 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3isr h VAL 95 Cb 0.91 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3isr h VAL 95 CO 1.40 0.13 0.06 1.62 0.02 0.00 0.00 177.57 180.80 3isr h VAL 96 N 0.71 0.16 -0.01 2.57 3.04 -2.04 -2.73 116.25 117.96 3isr h VAL 96 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 3isr h VAL 96 Cb 0.57 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3isr h VAL 96 CO -0.32 0.00 -0.35 0.47 -1.01 0.00 0.00 177.57 176.36 3isr n ASP 97 N -3.30 1.25 -4.77 3.17 8.00 0.05 -5.01 116.55 115.93 3isr n ASP 97 Ca -0.02 -1.12 -0.40 0.00 0.71 0.00 0.00 54.79 53.95 3isr n ASP 97 Cb 0.13 0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.02 4.25 0.40 0.64 1.43 -1.03 -4.97 118.68 117.38 3isr s LEU 98 Ca 0.10 2.84 -0.26 0.00 -1.03 0.00 0.00 54.13 55.77 3isr s LEU 98 Cb 0.11 -3.80 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 3isr s LEU 98 CO 0.38 -0.88 1.17 0.47 0.23 0.00 0.00 176.35 177.72 3isr n ASP 99 N 0.25 2.09 -0.16 2.29 9.92 -1.26 -4.88 116.55 124.81 3isr n ASP 99 Ca 0.03 1.11 0.15 0.00 -0.53 0.00 0.00 54.79 55.54 3isr n ASP 99 Cb 0.42 -1.44 0.50 0.00 -0.64 0.00 0.00 41.12 39.96 3isr n ASP 99 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3isr h GLY 100 N 1.99 0.71 1.89 0.44 0.00 -1.99 -0.20 103.07 105.91 3isr h GLY 100 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3isr h GLY 100 CO 0.59 0.07 0.00 2.09 0.00 0.00 0.00 176.54 179.29 3isr n ASP 101 N -4.48 0.00 0.00 0.19 5.75 -1.26 -2.77 116.55 113.98 3isr n ASP 101 Ca 0.14 0.38 -0.12 0.00 -0.01 0.00 0.00 54.79 55.18 3isr n ASP 101 Cb 0.50 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.92 -0.80 2.12 1.08 -1.38 -3.41 117.51 116.04 3isr h ILE 102 Ca 0.00 -2.70 0.17 0.00 -0.39 0.00 0.00 64.86 61.93 3isr h ILE 102 Cb 0.26 2.52 -0.11 0.00 -3.07 0.00 0.00 36.82 36.43 3isr h ILE 102 CO 0.00 0.65 0.32 0.40 -0.69 0.00 0.00 178.15 178.83 3isr h ILE 103 N 0.02 0.59 -0.25 -0.67 1.08 -1.49 -1.07 117.51 115.73 3isr h ILE 103 Ca -0.28 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 3isr h ILE 103 Cb 2.00 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 3isr h ILE 103 CO 0.10 0.08 0.28 -0.65 -0.69 0.00 0.00 178.15 177.27 3isr h PRO 104 N 0.42 0.00 -0.08 2.37 0.11 -1.79 -1.14 132.00 131.89 3isr h PRO 104 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3isr h PRO 104 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3isr h PRO 104 CO -0.45 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.53 3isr n PHE 105 N -3.73 0.11 0.71 0.65 3.72 -0.40 -2.10 117.46 116.43 3isr n PHE 105 Ca 0.03 -0.05 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3isr n PHE 105 Cb 0.42 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.30 0.61 -4.93 4.37 4.77 -0.43 -1.76 117.00 119.33 3isr n LEU 106 Ca 0.10 0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 3isr n LEU 106 Cb 0.13 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3isr n LEU 106 CO 0.08 0.02 -0.11 -0.36 -1.33 0.00 0.00 177.39 175.69 3isr s PHE 107 N -3.12 3.50 0.69 -1.77 0.08 -0.89 -4.86 117.98 111.62 3isr s PHE 107 Ca 0.07 0.22 -0.16 0.00 0.12 0.00 0.00 56.93 57.18 3isr s PHE 107 Cb 0.15 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3isr s PHE 107 CO 0.73 0.54 1.23 -2.14 -0.10 0.00 0.00 175.22 175.48 3isr s PRO 108 N -2.84 2.33 0.39 0.24 0.02 -1.26 -4.95 135.00 128.94 3isr s PRO 108 Ca 0.35 1.85 0.05 0.00 0.02 0.00 0.00 61.00 63.27 3isr s PRO 108 Cb -0.12 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 3isr s PRO 108 CO 0.28 -1.71 0.18 -1.54 -0.33 0.00 0.00 177.00 173.88 3isr s SER 109 N -1.81 2.50 0.20 2.53 1.04 -0.80 -5.00 113.70 112.35 3isr s SER 109 Ca 0.77 -1.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.30 3isr s SER 109 Cb -0.31 0.57 0.18 0.00 0.10 0.00 0.00 66.02 66.55 3isr s SER 109 CO 0.42 -1.00 1.61 -0.09 0.98 0.00 0.00 173.24 175.16 3isr h ARG 110 N 1.86 -0.09 -0.40 4.02 9.65 -1.96 -2.36 114.38 125.10 3isr h ARG 110 Ca -0.32 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 3isr h ARG 110 Cb 1.26 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3isr h ARG 110 CO 0.49 -0.06 0.00 0.66 2.80 0.00 0.00 179.97 183.86 3isr n TYR 111 N -5.44 0.51 -3.52 2.20 4.01 -1.26 -4.67 117.16 109.00 3isr n TYR 111 Ca 0.06 -0.26 -0.27 0.00 -0.16 0.00 0.00 57.90 57.27 3isr n TYR 111 Cb 0.34 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.27 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 2.65 3.34 0.22 0.00 3.00 -1.26 -1.91 117.38 123.43 3isr n GLN 113 Ca 0.27 -2.96 0.06 0.00 -0.01 0.00 0.00 57.00 54.36 3isr n GLN 113 Cb 0.44 -3.06 0.51 0.00 0.00 0.00 0.00 30.24 28.13 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 0.81 1.08 4.64 -1.89 -0.89 113.55 123.01 3isr h SER 114 Ca 0.55 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3isr h SER 114 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3isr h SER 114 CO 1.76 0.22 -0.01 -2.24 -0.87 0.00 0.00 176.83 175.69 3isr h ASP 115 N 0.00 0.00 0.09 4.97 2.03 -1.91 -2.12 116.42 119.48 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 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 3isr h ASP 115 CO 0.03 0.01 -0.13 0.29 -1.03 0.00 0.00 179.24 178.41 3isr n LYS 116 N -3.11 1.36 -0.02 4.15 5.02 -0.34 -4.30 118.16 120.91 3isr n LYS 116 Ca -0.00 -0.85 0.03 0.00 -2.02 0.00 0.00 58.31 55.46 3isr n LYS 116 Cb 0.26 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.08 2.01 -0.05 -0.35 4.77 -0.80 -4.81 117.00 117.70 3isr n LEU 117 Ca 0.15 -2.21 -0.11 0.00 -0.03 0.00 0.00 56.01 53.81 3isr n LEU 117 Cb 0.38 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3isr n LEU 117 CO 0.21 0.54 0.87 1.56 -1.33 0.00 0.00 177.39 179.24 3isr h GLN 118 N 0.00 0.26 -0.34 3.23 4.20 -1.73 -0.35 115.11 120.38 3isr h GLN 118 Ca 0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3isr h GLN 118 Cb 0.65 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3isr h GLN 118 CO 0.00 0.30 0.10 0.87 -0.67 0.00 0.00 178.83 179.43 3isr h LYS 119 N 0.15 0.53 -0.17 1.46 1.57 -1.93 -1.42 116.57 116.77 3isr h LYS 119 Ca 0.06 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3isr h LYS 119 Cb 0.13 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3isr h LYS 119 CO -0.01 0.57 0.03 1.25 -0.57 0.00 0.00 179.45 180.73 3isr h LEU 120 N 0.39 0.01 -0.70 2.94 6.46 -1.88 -0.10 115.31 122.43 3isr h LEU 120 Ca 0.11 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 3isr h LEU 120 Cb 0.27 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 3isr h LEU 120 CO -0.00 0.03 0.15 0.00 -0.62 0.00 0.00 178.44 178.00 3isr h ALA 121 N 1.12 0.92 -0.48 1.25 0.00 -0.94 -0.80 119.26 120.32 3isr h ALA 121 Ca 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3isr h ALA 121 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3isr h ALA 121 CO -0.10 0.66 0.10 -0.92 0.00 0.00 0.00 179.25 179.00 3isr h TYR 122 N 1.06 0.81 -0.39 0.00 3.20 -1.07 0.88 116.97 121.47 3isr h TYR 122 Ca 0.22 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.00 3isr h TYR 122 Cb 0.40 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3isr h TYR 122 CO 0.03 0.74 0.23 -0.22 -1.64 0.00 0.00 178.16 177.30 3isr h LYS 123 N 0.65 0.45 0.18 1.82 1.63 -0.66 0.37 116.57 121.01 3isr h LYS 123 Ca 0.15 -0.03 -0.31 0.00 -0.85 0.00 0.00 60.65 59.61 3isr h LYS 123 Cb 0.35 -0.10 0.03 0.00 -0.60 0.00 0.00 32.23 31.90 3isr h LYS 123 CO 0.00 0.29 -1.34 1.49 -3.45 0.00 0.00 179.45 176.45 3isr h GLU 124 N 0.46 0.48 0.00 1.90 4.57 -1.06 -3.40 114.58 117.52 3isr h GLU 124 Ca 0.15 -0.76 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 3isr h GLU 124 Cb 0.01 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3isr h GLU 124 CO -0.07 1.35 0.00 1.19 -1.18 0.00 0.00 179.01 180.30 3isr n PHE 125 N -3.68 0.00 0.18 0.92 3.72 0.29 -4.85 117.46 114.05 3isr n PHE 125 Ca -0.13 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.44 3isr n PHE 125 Cb 1.05 0.00 0.81 0.00 -0.94 0.00 0.00 39.48 40.39 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 1.94 1.37 0.00 -0.24 -2.69 103.07 103.45 3isr h GLY 126 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3isr h GLY 126 CO 0.00 0.00 -0.10 0.07 0.00 0.00 0.00 176.54 176.51 3isr h LYS 127 N 0.00 0.00 -6.65 4.80 2.10 -1.89 -3.46 116.57 111.47 3isr h LYS 127 Ca 0.10 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.23 3isr h LYS 127 Cb 0.57 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.94 3isr h LYS 127 CO -0.00 0.04 0.77 0.42 -2.00 0.00 0.00 179.45 178.68 3isr s ILE 128 N -3.20 2.88 -0.26 0.07 1.01 -1.02 -4.95 121.20 115.73 3isr s ILE 128 Ca 0.06 0.68 0.23 0.00 0.00 0.00 0.00 60.65 61.62 3isr s ILE 128 Cb 0.05 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 3isr s ILE 128 CO 0.68 0.08 0.96 -0.62 0.00 0.00 0.00 174.94 176.04 3isr n GLU 129 N 3.19 0.56 -4.75 2.79 4.71 -1.26 -4.84 120.64 121.04 3isr n GLU 129 Ca 0.10 0.05 -0.25 0.00 -0.01 0.00 0.00 57.16 57.05 3isr n GLU 129 Cb 0.41 -1.74 -0.15 0.00 -1.01 0.00 0.00 31.44 28.95 3isr n GLU 129 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3isr s ASN 130 N -5.00 2.27 0.19 1.62 4.22 -1.26 -4.25 114.94 112.73 3isr s ASN 130 Ca -0.01 -0.43 -0.13 0.00 -2.14 0.00 0.00 52.86 50.15 3isr s ASN 130 Cb 0.11 -0.22 0.20 0.00 1.28 0.00 0.00 41.25 42.62 3isr s ASN 130 CO 0.81 0.19 1.69 0.58 -2.04 0.00 0.00 177.10 178.32 3isr h VAL 131 N 4.53 0.61 -0.11 3.54 2.07 -1.66 0.60 116.25 125.84 3isr h VAL 131 Ca -0.40 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3isr h VAL 131 Cb 1.15 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3isr h VAL 131 CO 0.46 0.02 0.06 0.22 0.02 0.00 0.00 177.57 178.35 3isr h TYR 132 N 0.13 0.10 -0.49 1.57 3.20 -1.91 -1.23 116.97 118.33 3isr h TYR 132 Ca 0.26 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 3isr h TYR 132 Cb 0.39 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3isr h TYR 132 CO -0.31 0.06 0.29 0.77 -1.64 0.00 0.00 178.16 177.34 3isr h SER 133 N 0.12 0.58 -0.27 -2.11 0.02 -1.72 -0.40 113.55 109.78 3isr h SER 133 Ca 0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3isr h SER 133 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3isr h SER 133 CO -0.03 0.46 0.15 0.50 -1.14 0.00 0.00 176.83 176.77 3isr h LYS 134 N 0.68 0.38 -0.37 3.45 3.64 -0.22 0.09 116.57 124.22 3isr h LYS 134 Ca 0.18 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3isr h LYS 134 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3isr h LYS 134 CO -0.03 0.34 -0.22 0.28 -2.27 0.00 0.00 179.45 177.54 3isr h VAL 135 N 0.32 1.27 -0.60 2.00 2.07 -0.58 -1.54 116.25 119.20 3isr h VAL 135 Ca 0.09 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3isr h VAL 135 Cb 0.07 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3isr h VAL 135 CO -0.01 0.44 0.03 0.25 0.02 0.00 0.00 177.57 178.29 3isr h LEU 136 N 0.63 0.98 -1.06 2.57 5.85 -0.97 -0.74 115.31 122.57 3isr h LEU 136 Ca 0.09 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 3isr h LEU 136 Cb 0.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3isr h LEU 136 CO 0.06 1.02 0.06 0.00 -0.34 0.00 0.00 178.44 179.23 3isr h ALA 137 N 1.09 1.23 -0.27 1.25 0.00 -0.65 0.70 119.26 122.61 3isr h ALA 137 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3isr h ALA 137 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3isr h ALA 137 CO 0.02 0.52 0.16 0.82 0.00 0.00 0.00 179.25 180.77 3isr h ILE 138 N 0.69 1.11 -0.51 0.00 2.04 -0.83 0.88 117.51 120.89 3isr h ILE 138 Ca 0.15 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 3isr h ILE 138 Cb 0.35 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3isr h ILE 138 CO 0.01 0.11 0.12 0.74 0.00 0.00 0.00 178.15 179.12 3isr h THR 139 N 0.33 1.24 -0.35 -0.27 2.02 -0.64 -1.19 112.91 114.06 3isr h THR 139 Ca 0.10 -0.87 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 3isr h THR 139 Cb 0.04 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3isr h THR 139 CO -0.02 0.31 -0.37 0.44 0.37 0.00 0.00 175.52 176.26 3isr h ASP 140 N 0.71 0.93 -0.49 4.18 3.32 -0.80 -2.10 116.42 122.16 3isr h ASP 140 Ca 0.16 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.78 3isr h ASP 140 Cb 0.35 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3isr h ASP 140 CO 0.00 1.21 0.23 -0.25 -1.72 0.00 0.00 179.24 178.72 3isr h TRP 141 N 0.66 0.42 -0.36 4.55 7.01 -0.48 -0.98 115.95 126.77 3isr h TRP 141 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3isr h TRP 141 Cb 0.96 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 3isr h TRP 141 CO 0.07 0.19 0.20 0.82 -2.79 0.00 0.00 178.44 176.92 3isr h ILE 142 N 0.45 1.14 -0.81 2.65 2.04 -1.13 -0.37 117.51 121.48 3isr h ILE 142 Ca 0.22 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3isr h ILE 142 Cb 0.16 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3isr h ILE 142 CO -0.18 0.15 0.51 0.22 0.00 0.00 0.00 178.15 178.85 3isr h TYR 143 N 0.45 0.96 0.00 1.37 3.20 -1.00 -1.30 116.97 120.65 3isr h TYR 143 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3isr h TYR 143 Cb 0.06 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.02 3isr h TYR 143 CO -0.03 0.53 -0.04 -0.91 -1.64 0.00 0.00 178.16 176.07 3isr h ASN 144 N 0.98 0.00 0.00 -2.11 -0.26 -0.78 -3.37 115.58 110.04 3isr h ASN 144 Ca 0.34 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 3isr h ASN 144 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 3isr h ASN 144 CO -0.13 0.01 0.00 0.59 -1.06 0.00 0.00 177.43 176.83 3isr n ASN 145 N -2.45 0.73 -3.99 5.81 4.13 -0.19 -4.98 115.26 114.32 3isr n ASN 145 Ca 0.05 -1.05 -0.26 0.00 1.68 0.00 0.00 54.58 55.00 3isr n ASN 145 Cb 0.46 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.53 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 -0.05 1.17 0.18 2.41 1.01 -0.52 -4.83 120.40 119.77 3isr s VAL 146 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 3isr s VAL 146 Cb 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 3isr s VAL 146 CO 0.00 0.38 0.88 -1.61 0.00 0.00 0.00 175.10 174.74 3isr s GLU 147 N 1.05 4.71 -0.42 2.72 2.02 0.16 -4.74 118.70 124.20 3isr s GLU 147 Ca -0.07 1.34 -0.25 0.00 0.02 0.00 0.00 54.97 56.01 3isr s GLU 147 Cb -0.15 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.81 3isr s GLU 147 CO -0.01 0.47 0.90 -0.47 0.02 0.00 0.00 175.26 176.16 3isr s TYR 148 N -0.88 3.00 -0.16 1.61 5.04 -1.26 -1.89 117.35 122.81 3isr s TYR 148 Ca 0.40 0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 55.51 3isr s TYR 148 Cb -0.24 -3.77 0.05 0.00 0.35 0.00 0.00 41.96 38.35 3isr s TYR 148 CO 0.29 -0.96 0.05 0.42 -1.34 0.00 0.00 175.55 174.01 3isr s ILE 149 N 3.55 0.26 0.24 3.14 1.01 -0.05 -4.92 121.20 124.43 3isr s ILE 149 Ca 0.36 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 3isr s ILE 149 Cb -0.11 -0.75 -0.14 0.00 0.01 0.00 0.00 42.46 41.47 3isr s ILE 149 CO 0.22 -0.14 1.36 -1.20 0.00 0.00 0.00 174.94 175.19 3isr n SER 150 N 5.15 2.56 0.00 3.58 7.64 -1.26 -2.85 113.62 128.44 3isr n SER 150 Ca -0.08 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.95 3isr n SER 150 Cb 0.48 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 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 2.00 0.53 0.07 0.23 0.00 -1.26 -4.89 105.19 101.87 3isr n GLY 151 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3isr n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3isr n SER 152 N -0.13 0.65 -3.94 1.61 3.41 -1.13 -4.93 113.62 109.16 3isr n SER 152 Ca 0.00 0.35 -0.24 0.00 -0.26 0.00 0.00 58.87 58.71 3isr n SER 152 Cb 0.07 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 3isr n SER 152 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3isr s THR 153 N -3.10 0.44 0.11 6.66 -4.23 -1.26 -4.94 115.64 109.32 3isr s THR 153 Ca 0.10 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3isr s THR 153 Cb 0.14 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.60 3isr s THR 153 CO 0.64 0.00 0.12 -0.46 -0.54 0.00 0.00 174.62 174.38 3isr n ASN 154 N -1.36 -0.32 0.23 3.99 0.23 -1.26 -5.04 115.26 111.72 3isr n ASN 154 Ca -0.03 -1.65 0.16 0.00 -0.53 0.00 0.00 54.58 52.52 3isr n ASN 154 Cb 0.64 0.66 0.65 0.00 -2.08 0.00 0.00 39.78 39.65 3isr n ASN 154 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3isr h SER 155 N 0.64 0.00 1.84 0.53 4.64 -2.04 -2.48 113.55 116.67 3isr h SER 155 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3isr h SER 155 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3isr h SER 155 CO 0.11 0.00 -0.12 1.56 -0.87 0.00 0.00 176.83 177.51 3isr h GLN 156 N 0.00 0.00 -6.88 4.77 4.20 -2.04 -3.47 115.11 111.69 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 0.42 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.29 3isr h GLN 156 CO 0.00 0.00 0.77 0.99 -0.67 0.00 0.00 178.83 179.92 3isr s THR 157 N -3.22 2.26 0.35 -0.54 2.01 -0.94 -5.02 115.64 110.54 3isr s THR 157 Ca 0.06 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.34 3isr s THR 157 Cb 0.06 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3isr s THR 157 CO 0.68 0.05 0.08 -0.94 -0.69 0.00 0.00 174.62 173.81 3isr s SER 158 N -0.01 2.40 0.28 3.53 1.04 -1.26 -4.94 113.70 114.74 3isr s SER 158 Ca 0.55 -1.48 0.02 0.00 0.48 0.00 0.00 55.95 55.52 3isr s SER 158 Cb -0.45 0.15 0.61 0.00 0.10 0.00 0.00 66.02 66.43 3isr s SER 158 CO 0.55 -0.73 1.80 0.00 0.98 0.00 0.00 173.24 175.84 3isr h ALA 159 N 2.03 1.50 -0.14 5.32 0.00 -1.06 -0.89 119.26 126.02 3isr h ALA 159 Ca -0.39 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3isr h ALA 159 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3isr h ALA 159 CO 0.65 0.05 -0.04 0.35 0.00 0.00 0.00 179.25 180.26 3isr h PHE 160 N 0.82 0.20 -0.03 0.00 3.57 -1.91 -1.70 116.94 117.90 3isr h PHE 160 Ca 0.52 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.94 3isr h PHE 160 Cb 0.67 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3isr h PHE 160 CO -0.03 0.25 -0.25 -0.44 -2.23 0.00 0.00 178.31 175.61 3isr h ASP 161 N 0.20 0.27 0.16 0.41 3.32 -1.61 -3.33 116.42 115.84 3isr h ASP 161 Ca 0.05 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 56.35 3isr h ASP 161 Cb 0.20 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3isr h ASP 161 CO 0.01 0.93 -0.19 0.74 -1.72 0.00 0.00 179.24 179.00 3isr h THR 162 N -0.36 1.16 0.00 0.35 2.02 -0.84 0.12 112.91 115.36 3isr h THR 162 Ca -0.02 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3isr h THR 162 Cb 0.94 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3isr h THR 162 CO 0.05 0.23 -0.08 -0.29 0.37 0.00 0.00 175.52 175.79 3isr h ILE 163 N 0.07 0.75 0.00 3.11 6.09 -1.43 0.20 117.51 126.29 3isr h ILE 163 Ca 0.01 -0.32 -0.29 0.00 -1.37 0.00 0.00 64.86 62.90 3isr h ILE 163 Cb 0.39 1.19 -0.05 0.00 0.47 0.00 0.00 36.82 38.81 3isr h ILE 163 CO 0.03 0.08 -2.07 0.35 -3.07 0.00 0.00 178.15 173.46 3isr n THR 164 N -4.00 1.08 -0.07 2.19 -2.24 -0.79 -4.60 114.28 105.85 3isr n THR 164 Ca -0.03 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 61.03 3isr n THR 164 Cb 0.17 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.00 0.78 -2.65 -0.78 5.08 -0.61 -3.47 114.58 112.94 3isr h GLU 165 Ca -0.42 -0.44 -0.40 0.00 -1.00 0.00 0.00 59.36 57.10 3isr h GLU 165 Cb 1.90 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.14 3isr h GLU 165 CO 0.00 1.07 -0.49 0.54 -1.00 0.00 0.00 179.01 179.13 3isr n ARG 166 N -4.02 -1.56 -3.79 2.33 5.12 0.04 -4.99 116.66 109.79 3isr n ARG 166 Ca -0.03 0.98 -0.13 0.00 -1.93 0.00 0.00 57.85 56.75 3isr n ARG 166 Cb 0.57 -5.55 -0.10 0.00 -1.16 0.00 0.00 32.46 26.21 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 -2.96 -0.65 0.00 7.54 0.00 -1.26 -0.67 121.76 123.76 3isr s ALA 167 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3isr s ALA 167 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3isr s ALA 167 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3isr n GLY 168 N 2.23 -1.22 0.62 0.00 0.00 -0.79 -4.84 105.19 101.20 3isr n GLY 168 Ca -0.17 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 0.45 0.00 -0.32 1.61 0.24 -1.26 -0.87 118.33 118.18 3isr n VAL 169 Ca 0.00 -0.42 0.02 0.00 -2.04 0.00 0.00 64.34 61.90 3isr n VAL 169 Cb 0.00 0.11 0.17 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.96 0.88 -0.19 0.00 2.43 -1.97 -0.53 114.38 115.97 3isr h ARG 171 Ca 0.41 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.32 3isr h ARG 171 Cb 0.26 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3isr h ARG 171 CO -0.20 0.58 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.72 3isr h ASP 172 N 0.91 0.93 -0.71 -3.80 3.32 -1.60 -1.24 116.42 114.23 3isr h ASP 172 Ca 0.51 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3isr h ASP 172 Cb 0.59 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3isr h ASP 172 CO -0.30 1.37 0.24 -0.26 -1.72 0.00 0.00 179.24 178.58 3isr h PHE 173 N 0.54 1.14 -0.16 4.55 -1.00 -0.86 -1.54 116.94 119.60 3isr h PHE 173 Ca -0.03 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 3isr h PHE 173 Cb 1.31 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 3isr h PHE 173 CO 0.09 0.89 0.00 0.00 -1.61 0.00 0.00 178.31 177.68 3isr h ALA 174 N 1.19 0.21 -0.76 2.45 0.00 -1.05 -2.05 119.26 119.25 3isr h ALA 174 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3isr h ALA 174 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3isr h ALA 174 CO -0.01 -0.09 0.40 0.45 0.00 0.00 0.00 179.25 180.00 3isr h HIS 175 N 0.02 1.06 -0.38 0.00 3.86 -1.11 -1.32 115.15 117.28 3isr h HIS 175 Ca 0.04 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 3isr h HIS 175 Cb 0.37 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3isr h HIS 175 CO 0.03 0.75 -0.33 1.25 0.86 0.00 0.00 177.93 180.50 3isr h LEU 176 N 1.07 0.95 -0.56 2.43 5.85 -1.19 -0.75 115.31 123.10 3isr h LEU 176 Ca 0.27 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3isr h LEU 176 Cb 0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3isr h LEU 176 CO -0.04 1.20 0.35 1.23 -0.34 0.00 0.00 178.44 180.84 3isr h GLY 177 N 0.71 0.80 0.94 3.75 0.00 -1.12 -1.33 103.07 106.82 3isr h GLY 177 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3isr h GLY 177 CO 0.08 0.23 0.11 -2.22 0.00 0.00 0.00 176.54 174.74 3isr h ILE 178 N 0.70 1.11 -0.49 2.60 2.04 -1.11 -0.88 117.51 121.49 3isr h ILE 178 Ca 0.22 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3isr h ILE 178 Cb -0.00 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3isr h ILE 178 CO -0.09 0.11 0.30 0.00 0.00 0.00 0.00 178.15 178.47 3isr h ALA 179 N 0.99 0.62 -0.44 1.87 0.00 -0.89 -0.65 119.26 120.77 3isr h ALA 179 Ca 0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3isr h ALA 179 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3isr h ALA 179 CO -0.01 0.11 -0.13 -0.07 0.00 0.00 0.00 179.25 179.15 3isr h LEU 180 N 0.66 0.81 0.24 0.00 3.38 -1.09 -0.92 115.31 118.38 3isr h LEU 180 Ca 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3isr h LEU 180 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3isr h LEU 180 CO -0.03 0.95 -0.12 0.00 0.09 0.00 0.00 178.44 179.33 3isr h ARG 182 N -0.37 0.50 0.00 0.00 3.08 -1.02 -0.87 114.38 115.70 3isr h ARG 182 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3isr h ARG 182 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3isr h ARG 182 CO 0.05 0.36 -0.06 0.00 -1.07 0.00 0.00 179.97 179.25 3isr h ALA 183 N 1.73 1.55 -0.60 0.04 0.00 -0.97 -0.94 119.26 120.07 3isr h ALA 183 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3isr h ALA 183 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3isr h ALA 183 CO -0.02 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3isr n LEU 184 N -3.96 5.25 -2.86 0.00 4.77 -0.44 -4.73 117.00 115.03 3isr n LEU 184 Ca -0.03 -2.66 -0.20 0.00 -0.03 0.00 0.00 56.01 53.10 3isr n LEU 184 Cb 0.15 -0.64 0.05 0.00 -2.33 0.00 0.00 43.42 40.65 3isr n LEU 184 CO 0.30 0.70 0.10 -1.20 -1.33 0.00 0.00 177.39 175.97 3isr n SER 185 N 0.85 -5.62 -4.26 -1.43 7.64 -0.36 -4.96 113.62 105.48 3isr n SER 185 Ca 0.27 -0.35 -0.34 0.00 1.01 0.00 0.00 58.87 59.46 3isr n SER 185 Cb 1.05 -4.35 -0.15 0.00 -1.01 0.00 0.00 64.21 59.75 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 -3.18 2.84 0.34 0.44 1.01 -0.57 -4.56 121.20 117.53 3isr s ILE 186 Ca 0.38 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3isr s ILE 186 Cb -0.17 -2.24 -0.11 0.00 0.01 0.00 0.00 42.46 39.96 3isr s ILE 186 CO 0.47 0.48 1.37 -2.84 0.00 0.00 0.00 174.94 174.42 3isr s PRO 187 N 1.18 4.27 -0.01 2.79 0.02 -1.26 -3.02 135.00 138.97 3isr s PRO 187 Ca 0.02 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 3isr s PRO 187 Cb -0.14 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.35 3isr s PRO 187 CO -0.04 -0.31 0.23 0.00 -0.33 0.00 0.00 177.00 176.54 3isr s ALA 188 N -1.07 -0.58 0.08 -1.55 0.00 -0.72 -1.15 121.76 116.78 3isr s ALA 188 Ca 0.51 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 3isr s ALA 188 Cb -0.42 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3isr s ALA 188 CO 0.56 -0.23 0.02 -0.98 0.00 0.00 0.00 175.76 175.12 3isr s ARG 189 N -1.33 0.75 0.12 0.00 1.70 -0.03 -4.76 118.95 115.39 3isr s ARG 189 Ca -0.14 -1.29 -0.23 0.00 -0.47 0.00 0.00 55.73 53.60 3isr s ARG 189 Cb -0.06 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.47 3isr s ARG 189 CO 0.03 -0.18 0.70 -0.47 -1.08 0.00 0.00 175.30 174.30 3isr s TYR 190 N -3.97 3.86 -0.08 5.89 5.04 0.92 -1.37 117.35 127.65 3isr s TYR 190 Ca 0.13 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.28 3isr s TYR 190 Cb 0.08 -2.67 0.01 0.00 0.35 0.00 0.00 41.96 39.72 3isr s TYR 190 CO -0.06 0.53 -0.13 0.12 -1.34 0.00 0.00 175.55 174.67 3isr s PHE 191 N -1.06 1.64 0.11 4.97 5.36 -0.19 -1.69 117.98 127.12 3isr s PHE 191 Ca 0.33 -0.68 0.09 0.00 -0.96 0.00 0.00 56.93 55.72 3isr s PHE 191 Cb -0.22 -1.21 -0.04 0.00 -0.34 0.00 0.00 43.02 41.22 3isr s PHE 191 CO 0.23 -0.36 -0.21 0.95 -1.46 0.00 0.00 175.22 174.38 3isr s THR 192 N 0.83 2.65 0.18 0.12 -4.23 -0.01 -0.64 115.64 114.55 3isr s THR 192 Ca -0.11 -1.52 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 3isr s THR 192 Cb -0.15 -2.19 0.07 0.00 1.34 0.00 0.00 72.50 71.57 3isr s THR 192 CO 0.02 0.14 0.97 -0.83 -0.54 0.00 0.00 174.62 174.38 3isr s GLY 193 N -1.98 -0.10 0.36 3.99 0.00 -0.24 -0.67 107.32 108.67 3isr s GLY 193 Ca 0.16 -0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.58 3isr s GLY 193 CO 0.08 0.59 0.95 -0.19 0.00 0.00 0.00 173.10 174.53 3isr s TYR 194 N -2.95 3.57 -0.18 1.90 2.02 0.11 -0.82 117.35 121.00 3isr s TYR 194 Ca 0.15 1.73 -0.02 0.00 -0.37 0.00 0.00 57.07 58.56 3isr s TYR 194 Cb -0.02 -2.90 0.05 0.00 -0.40 0.00 0.00 41.96 38.69 3isr s TYR 194 CO 0.04 0.11 0.02 0.00 -1.57 0.00 0.00 175.55 174.15 3isr s ALA 195 N -1.80 1.05 0.28 3.71 0.00 -1.26 -0.81 121.76 122.94 3isr s ALA 195 Ca 0.54 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 3isr s ALA 195 Cb -0.16 -1.14 -0.11 0.00 0.00 0.00 0.00 23.12 21.71 3isr s ALA 195 CO 0.20 -1.06 1.61 0.12 0.00 0.00 0.00 175.76 176.64 3isr s PHE 196 N 1.83 2.77 0.00 0.00 5.36 -0.11 -2.61 117.98 125.22 3isr s PHE 196 Ca -0.00 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 3isr s PHE 196 Cb -0.16 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 3isr s PHE 196 CO -0.07 -3.70 0.00 1.63 -1.46 0.00 0.00 175.22 171.61 3isr n LYS 197 N 2.40 -0.43 -1.99 10.12 4.76 -1.26 -4.45 118.16 127.31 3isr n LYS 197 Ca 0.09 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 3isr n LYS 197 Cb 0.37 -3.52 -0.03 0.00 -1.84 0.00 0.00 35.03 30.01 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 4.35 -0.08 -0.35 2.96 -1.07 -4.91 118.68 119.58 3isr s LEU 198 Ca 0.00 2.39 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 3isr s LEU 198 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3isr s LEU 198 CO 0.00 -0.87 -0.09 0.21 -1.32 0.00 0.00 176.35 174.28 3isr s ASN 199 N 2.50 1.82 0.51 3.68 3.04 -1.26 -2.99 114.94 122.23 3isr s ASN 199 Ca 0.72 -0.27 -0.21 0.00 0.04 0.00 0.00 52.86 53.14 3isr s ASN 199 Cb -0.37 -0.78 -0.06 0.00 -1.54 0.00 0.00 41.25 38.50 3isr s ASN 199 CO 0.31 -0.04 1.16 -2.16 -3.04 0.00 0.00 177.10 173.33 3isr s PRO 200 N 1.13 3.50 0.33 0.43 0.04 -1.26 -5.08 135.00 134.09 3isr s PRO 200 Ca -0.06 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 3isr s PRO 200 Cb -0.14 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 3isr s PRO 200 CO -0.02 -0.76 1.43 -1.25 0.04 0.00 0.00 177.00 176.45 3isr s PRO 201 N -3.00 4.22 0.09 0.56 0.04 -1.16 -4.98 135.00 130.76 3isr s PRO 201 Ca 0.69 2.41 -0.27 0.00 0.04 0.00 0.00 61.00 63.88 3isr s PRO 201 Cb -0.27 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 31.32 3isr s PRO 201 CO 0.32 -0.41 1.10 0.34 0.04 0.00 0.00 177.00 178.38 3isr s ASP 202 N -0.10 -0.10 0.60 6.66 -1.08 -1.26 -4.58 116.67 116.82 3isr s ASP 202 Ca 0.54 -0.34 -0.17 0.00 -0.52 0.00 0.00 52.55 52.05 3isr s ASP 202 Cb -0.44 0.37 -0.03 0.00 -1.46 0.00 0.00 42.92 41.36 3isr s ASP 202 CO 0.55 -0.69 1.13 -0.36 0.52 0.00 0.00 175.17 176.32 3isr s PHE 203 N -2.79 2.60 0.10 -5.34 0.08 -1.26 -4.51 117.98 106.86 3isr s PHE 203 Ca 0.15 1.55 0.07 0.00 0.12 0.00 0.00 56.93 58.82 3isr s PHE 203 Cb 0.01 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 3isr s PHE 203 CO 0.01 -1.72 -0.19 -1.58 -0.10 0.00 0.00 175.22 171.64 3isr s HIS 204 N -2.01 1.62 -0.02 0.36 2.46 -0.00 -4.99 115.29 112.70 3isr s HIS 204 Ca 0.71 -0.44 0.03 0.00 0.47 0.00 0.00 55.06 55.83 3isr s HIS 204 Cb -0.23 -0.89 0.00 0.00 -0.13 0.00 0.00 32.58 31.33 3isr s HIS 204 CO 0.34 0.17 -0.10 0.00 -2.47 0.00 0.00 174.74 172.68 3isr s ALA 205 N -1.27 0.93 0.00 1.58 0.00 -1.26 -1.08 121.76 120.65 3isr s ALA 205 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3isr s ALA 205 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3isr s ALA 205 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 175.76 175.97 3isr s PHE 207 N -0.89 0.55 -0.01 0.00 -0.12 -0.95 -1.02 117.98 115.55 3isr s PHE 207 Ca 0.00 -0.95 0.04 0.00 -0.05 0.00 0.00 56.93 55.97 3isr s PHE 207 Cb 0.00 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.12 3isr s PHE 207 CO 0.00 -0.58 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.25 3isr s GLU 208 N -3.98 1.05 0.04 1.99 2.02 -0.47 -0.46 118.70 118.89 3isr s GLU 208 Ca 0.17 -0.48 0.06 0.00 0.02 0.00 0.00 54.97 54.74 3isr s GLU 208 Cb 0.06 -1.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 3isr s GLU 208 CO -0.02 0.28 -0.12 0.00 0.02 0.00 0.00 175.26 175.41 3isr s ALA 209 N -0.33 2.82 -0.46 5.21 0.00 -0.04 -0.86 121.76 128.11 3isr s ALA 209 Ca 0.05 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 3isr s ALA 209 Cb -0.05 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.20 3isr s ALA 209 CO -0.00 0.60 0.60 -0.47 0.00 0.00 0.00 175.76 176.49 3isr s TYR 210 N -1.02 3.07 -0.10 0.00 5.04 -0.30 -0.27 117.35 123.78 3isr s TYR 210 Ca 0.17 -0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.51 3isr s TYR 210 Cb -0.11 -3.34 0.03 0.00 0.35 0.00 0.00 41.96 38.89 3isr s TYR 210 CO 0.08 -0.90 -0.05 0.42 -1.34 0.00 0.00 175.55 173.76 3isr s ILE 211 N 2.64 0.78 -1.53 3.14 1.01 0.09 -4.49 121.20 122.84 3isr s ILE 211 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 3isr s ILE 211 Cb -0.16 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.47 3isr s ILE 211 CO 0.15 0.33 0.58 0.61 0.00 0.00 0.00 174.94 176.61 3isr n GLY 212 N 4.98 -0.52 1.49 6.18 0.00 -1.26 -2.29 105.19 113.77 3isr n GLY 212 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.47 0.75 3.09 -0.02 0.00 -1.26 -5.04 105.19 101.25 3isr n GLY 213 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.55 1.39 -0.31 1.61 -0.87 -0.97 -5.11 114.94 108.13 3isr s ASN 214 Ca 0.00 -0.36 -0.29 0.00 -1.57 0.00 0.00 52.86 50.64 3isr s ASN 214 Cb 0.00 -0.10 0.01 0.00 -0.02 0.00 0.00 41.25 41.14 3isr s ASN 214 CO 0.00 0.04 1.12 0.26 -2.57 0.00 0.00 177.10 175.95 3isr s TRP 215 N -0.68 3.05 -0.16 2.20 0.52 -1.26 -0.73 118.94 121.88 3isr s TRP 215 Ca 0.01 1.12 -0.05 0.00 0.02 0.00 0.00 56.10 57.21 3isr s TRP 215 Cb -0.07 -3.74 -0.03 0.00 -1.15 0.00 0.00 33.47 28.48 3isr s TRP 215 CO 0.01 -0.97 -0.00 0.42 0.02 0.00 0.00 176.95 176.42 3isr s ILE 216 N 3.78 4.22 0.21 2.03 -1.09 0.63 -4.37 121.20 126.61 3isr s ILE 216 Ca 0.48 -0.24 -0.23 0.00 -2.23 0.00 0.00 60.65 58.43 3isr s ILE 216 Cb -0.13 -2.87 -0.08 0.00 -1.58 0.00 0.00 42.46 37.80 3isr s ILE 216 CO 0.17 0.48 0.77 -0.51 -1.23 0.00 0.00 174.94 174.62 3isr s ILE 217 N 0.35 4.45 0.01 2.92 2.07 -0.53 -0.86 121.20 129.62 3isr s ILE 217 Ca -0.02 1.51 -0.03 0.00 -1.41 0.00 0.00 60.65 60.70 3isr s ILE 217 Cb -0.13 -3.98 -0.01 0.00 0.13 0.00 0.00 42.46 38.46 3isr s ILE 217 CO 0.02 0.33 0.04 -0.36 -1.91 0.00 0.00 174.94 173.05 3isr s PHE 218 N -1.38 0.16 -0.29 3.50 0.08 0.39 -4.69 117.98 115.74 3isr s PHE 218 Ca 0.41 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 3isr s PHE 218 Cb -0.19 -0.12 0.13 0.00 -0.57 0.00 0.00 43.02 42.27 3isr s PHE 218 CO 0.23 -0.21 0.29 0.34 -0.10 0.00 0.00 175.22 175.77 3isr s ASP 219 N -1.33 1.71 0.06 1.36 2.15 -1.26 -2.23 116.67 117.13 3isr s ASP 219 Ca -0.14 -0.75 0.16 0.00 0.43 0.00 0.00 52.55 52.24 3isr s ASP 219 Cb -0.08 0.49 0.67 0.00 -0.30 0.00 0.00 42.92 43.70 3isr s ASP 219 CO -0.00 -0.39 1.50 0.00 -0.17 0.00 0.00 175.17 176.11 3isr n ALA 220 N 5.31 1.62 0.20 3.66 0.00 -1.26 -2.14 120.51 127.89 3isr n ALA 220 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3isr n ALA 220 Cb 0.46 -1.26 0.32 0.00 0.00 0.00 0.00 19.45 18.98 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 0.64 -2.51 0.00 1.35 -1.94 -3.30 112.91 107.15 3isr h THR 221 Ca 0.00 -1.43 -0.32 0.00 -0.55 0.00 0.00 66.41 64.11 3isr h THR 221 Cb 0.26 1.96 -0.06 0.00 -1.73 0.00 0.00 68.15 68.57 3isr h THR 221 CO 0.00 0.29 -0.36 0.54 -0.25 0.00 0.00 175.52 175.75 3isr n ARG 222 N -3.35 -1.72 0.13 4.72 1.74 -0.91 -4.90 116.66 112.37 3isr n ARG 222 Ca 0.01 0.84 0.02 0.00 -0.77 0.00 0.00 57.85 57.95 3isr n ARG 222 Cb 0.52 -5.32 0.02 0.00 -1.02 0.00 0.00 32.46 26.66 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 -8.25 0.55 3.38 -1.91 -3.47 115.31 105.61 3isr h LEU 223 Ca -0.35 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.25 3isr h LEU 223 Cb 1.17 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.69 3isr h LEU 223 CO 0.46 0.51 -0.77 0.68 0.09 0.00 0.00 178.44 179.41 3isr s VAL 224 N -2.96 0.85 0.20 1.22 -7.23 -1.26 -4.67 120.40 106.55 3isr s VAL 224 Ca 0.03 -1.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.88 3isr s VAL 224 Cb 0.08 -0.82 -0.10 0.00 0.56 0.00 0.00 36.38 36.10 3isr s VAL 224 CO 0.75 -0.17 1.50 -2.16 -0.31 0.00 0.00 175.10 174.72 3isr s PRO 225 N -1.33 4.24 0.45 4.82 0.04 -1.26 -4.89 135.00 137.08 3isr s PRO 225 Ca -0.03 2.32 0.16 0.00 0.04 0.00 0.00 61.00 63.49 3isr s PRO 225 Cb -0.08 -3.14 1.04 0.00 0.04 0.00 0.00 34.50 32.36 3isr s PRO 225 CO 0.01 -0.52 1.99 -0.07 0.04 0.00 0.00 177.00 178.44 3isr h LEU 226 N 6.08 0.00 -0.27 -3.56 3.38 -1.82 -1.13 115.31 118.00 3isr h LEU 226 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 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 0.85 0.19 0.00 -0.46 0.09 0.00 0.00 178.44 179.12 3isr n ASN 227 N -4.19 0.41 -0.89 -0.43 6.94 -1.26 -3.35 115.26 112.49 3isr n ASN 227 Ca -0.02 -1.19 0.09 0.00 -0.02 0.00 0.00 54.58 53.44 3isr n ASN 227 Cb 0.26 -0.00 0.24 0.00 -2.36 0.00 0.00 39.78 37.91 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 1.02 1.24 3.78 4.83 0.00 -0.43 -4.97 105.19 110.67 3isr n GLY 228 Ca 0.21 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.09 4.43 -0.20 0.99 1.43 -1.21 -0.93 118.68 122.09 3isr s LEU 229 Ca 0.33 1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 54.52 3isr s LEU 229 Cb 0.18 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 3isr s LEU 229 CO 0.24 0.15 -0.10 -0.69 0.23 0.00 0.00 176.35 176.18 3isr s VAL 230 N -0.37 2.95 0.10 -1.59 1.01 0.01 -4.98 120.40 117.53 3isr s VAL 230 Ca 0.29 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 3isr s VAL 230 Cb -0.18 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 3isr s VAL 230 CO 0.16 0.47 1.19 -0.75 0.00 0.00 0.00 175.10 176.16 3isr s LYS 231 N 1.29 4.46 -0.18 2.72 2.20 -1.26 -0.71 119.74 128.26 3isr s LYS 231 Ca 0.04 1.78 -0.17 0.00 -0.36 0.00 0.00 55.97 57.25 3isr s LYS 231 Cb -0.14 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 3isr s LYS 231 CO -0.05 -0.18 -0.34 -0.89 -0.36 0.00 0.00 175.35 173.52 3isr n ILE 232 N 3.48 1.49 -3.94 5.43 5.41 0.15 -1.22 119.36 130.17 3isr n ILE 232 Ca 0.07 0.09 -0.09 0.00 1.00 0.00 0.00 62.75 63.82 3isr n ILE 232 Cb 0.46 -2.28 -0.08 0.00 -0.71 0.00 0.00 39.64 37.03 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 -2.85 0.02 0.16 -1.39 0.00 -1.09 -3.95 121.76 112.66 3isr s ALA 233 Ca -0.29 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 50.90 3isr s ALA 233 Cb 0.05 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3isr s ALA 233 CO 0.43 -0.54 -0.15 0.95 0.00 0.00 0.00 175.76 176.44 3isr s THR 234 N -3.92 1.58 0.00 0.00 -4.23 -0.89 -0.83 115.64 107.35 3isr s THR 234 Ca 0.11 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3isr s THR 234 Cb 0.05 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.12 3isr s THR 234 CO -0.06 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 3isr n GLY 235 N 0.22 0.82 0.30 3.99 0.00 -0.68 -4.69 105.19 105.14 3isr n GLY 235 Ca -0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 1.02 0.00 1.61 3.08 -1.92 0.26 114.38 118.43 3isr h ARG 236 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3isr h ARG 236 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3isr h ARG 236 CO 0.00 1.02 0.00 -0.40 -1.07 0.00 0.00 179.97 179.52 3isr n ASP 237 N -4.17 0.00 0.29 7.04 5.68 -1.26 -4.06 116.55 120.07 3isr n ASP 237 Ca 0.02 -0.96 0.19 0.00 -0.50 0.00 0.00 54.79 53.54 3isr n ASP 237 Cb 0.36 0.00 0.97 0.00 -1.14 0.00 0.00 41.12 41.31 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 0.00 2.12 0.00 -1.92 -1.19 119.26 121.28 3isr h ALA 238 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3isr h ALA 238 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3isr h ALA 238 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 3isr h ALA 239 N 2.02 1.68 -0.21 0.00 0.00 -1.99 -1.28 119.26 119.47 3isr h ALA 239 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3isr h ALA 239 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3isr h ALA 239 CO 0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 3isr n ASP 240 N -4.11 2.93 -2.71 0.00 8.00 -0.45 -4.58 116.55 115.63 3isr n ASP 240 Ca -0.03 -1.92 -0.04 0.00 0.71 0.00 0.00 54.79 53.51 3isr n ASP 240 Cb 0.12 -0.13 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 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 1.20 2.50 -1.77 2.24 0.00 -0.54 -4.81 120.51 119.33 3isr n ALA 241 Ca 0.17 -1.66 -0.36 0.00 0.00 0.00 0.00 53.44 51.59 3isr n ALA 241 Cb 0.55 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.02 2.92 0.12 0.00 0.00 -0.88 -4.90 121.76 118.00 3isr s ALA 242 Ca 0.18 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 3isr s ALA 242 Cb 0.41 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3isr s ALA 242 CO -0.08 -0.65 1.70 0.28 0.00 0.00 0.00 175.76 177.00 3isr h VAL 243 N 1.74 1.15 -3.03 0.00 2.07 -1.91 -3.31 116.25 112.96 3isr h VAL 243 Ca -0.49 -0.42 -0.27 0.00 0.82 0.00 0.00 66.70 66.34 3isr h VAL 243 Cb 1.25 0.88 -0.35 0.00 -1.52 0.00 0.00 31.29 31.55 3isr h VAL 243 CO 0.60 0.15 -0.60 0.00 0.02 0.00 0.00 177.57 177.74 3isr s ALA 244 N -5.74 -0.28 -0.25 1.67 0.00 -1.26 -0.78 121.76 115.11 3isr s ALA 244 Ca -0.13 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 3isr s ALA 244 Cb 0.09 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3isr s ALA 244 CO 0.72 -0.56 0.16 -1.12 0.00 0.00 0.00 175.76 174.96 3isr s SER 245 N 2.26 6.02 -0.28 0.00 0.01 0.56 -4.96 113.70 117.31 3isr s SER 245 Ca 0.02 0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 3isr s SER 245 Cb -0.12 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 64.05 3isr s SER 245 CO -0.07 0.02 -0.01 -0.63 0.41 0.00 0.00 173.24 172.97 3isr s ILE 246 N 1.31 3.05 -0.82 1.44 1.01 -1.26 -1.12 121.20 124.80 3isr s ILE 246 Ca 0.07 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 3isr s ILE 246 Cb -0.14 -2.67 0.22 0.00 0.01 0.00 0.00 42.46 39.87 3isr s ILE 246 CO 0.07 0.00 0.75 -0.36 0.00 0.00 0.00 174.94 175.40 3isr s PHE 247 N 1.30 3.76 0.00 3.97 0.40 0.44 -4.88 117.98 122.97 3isr s PHE 247 Ca -0.03 -2.21 0.00 0.00 -0.60 0.00 0.00 56.93 54.09 3isr s PHE 247 Cb -0.19 -3.70 0.00 0.00 0.51 0.00 0.00 43.02 39.64 3isr s PHE 247 CO -0.02 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.36 3isr n GLY 248 N 3.72 0.32 2.65 4.36 0.00 -1.26 -1.17 105.19 113.81 3isr n GLY 248 Ca 0.14 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 3.05 0.00 1.61 0.01 -1.26 -5.03 114.94 109.33 3isr s ASN 249 Ca 0.00 -0.99 -0.27 0.00 -0.71 0.00 0.00 52.86 50.89 3isr s ASN 249 Cb 0.00 -0.47 0.06 0.00 0.41 0.00 0.00 41.25 41.25 3isr s ASN 249 CO 0.00 -0.37 0.61 0.00 -1.51 0.00 0.00 177.10 175.83 3isr s ALA 250 N 1.96 -1.59 0.03 0.60 0.00 -1.26 -2.90 121.76 118.61 3isr s ALA 250 Ca 0.04 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3isr s ALA 250 Cb -0.17 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3isr s ALA 250 CO -0.18 -0.45 -0.05 -1.54 0.00 0.00 0.00 175.76 173.54 3isr s SER 251 N -1.58 0.56 0.30 0.00 1.04 -0.86 -5.00 113.70 108.17 3isr s SER 251 Ca -0.08 -0.56 -0.26 0.00 0.48 0.00 0.00 55.95 55.53 3isr s SER 251 Cb -0.01 0.07 -0.10 0.00 0.10 0.00 0.00 66.02 66.09 3isr s SER 251 CO 0.04 -0.27 0.91 -0.94 0.98 0.00 0.00 173.24 173.96 3isr s SER 252 N -1.61 7.34 0.00 7.02 1.04 -1.26 -1.14 113.70 125.09 3isr s SER 252 Ca -0.12 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.11 3isr s SER 252 Cb -0.09 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3isr s SER 252 CO -0.01 -0.02 0.00 0.35 0.98 0.00 0.00 173.24 174.54 3isr n THR 253 N 0.70 0.00 -4.04 2.02 -2.24 0.16 -4.90 114.28 105.99 3isr n THR 253 Ca 0.01 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3isr n THR 253 Cb 0.50 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 3isr n THR 253 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3isr s ASN 254 N -1.73 0.51 0.00 3.42 0.01 -1.22 -4.98 114.94 110.94 3isr s ASN 254 Ca 0.00 -1.29 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 3isr s ASN 254 Cb 0.00 0.65 0.00 0.00 0.41 0.00 0.00 41.25 42.31 3isr s ASN 254 CO 0.00 -1.27 0.00 1.41 -1.51 0.00 0.00 177.10 175.73 3isr n HIS 256 N -0.49 0.00 -4.31 2.20 8.25 -0.25 -1.07 115.22 119.55 3isr n HIS 256 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3isr n HIS 256 Cb 0.62 0.00 -0.15 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 -0.32 0.67 -0.02 1.59 1.01 -1.26 -0.69 120.40 121.38 3isr s VAL 257 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3isr s VAL 257 Cb 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.77 3isr s VAL 257 CO 0.00 0.22 0.12 -1.61 0.00 0.00 0.00 175.10 173.83 3isr s GLU 258 N 0.28 0.30 -0.03 2.72 2.02 0.82 -4.07 118.70 120.73 3isr s GLU 258 Ca -0.04 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 3isr s GLU 258 Cb -0.09 0.13 0.03 0.00 0.10 0.00 0.00 34.13 34.30 3isr s GLU 258 CO 0.00 -0.06 0.05 0.00 0.02 0.00 0.00 175.26 175.28 3isr s ALA 260 N 1.52 0.94 0.19 0.00 0.00 -0.44 -4.37 121.76 119.61 3isr s ALA 260 Ca -0.04 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 3isr s ALA 260 Cb -0.13 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 3isr s ALA 260 CO -0.03 0.16 1.17 0.45 0.00 0.00 0.00 175.76 177.51 3isr s SER 261 N 0.12 7.14 0.00 0.00 0.15 -1.26 -0.19 113.70 119.66 3isr s SER 261 Ca -0.02 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.07 3isr s SER 261 Cb -0.08 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.13 3isr s SER 261 CO 0.01 -0.32 1.44 0.18 1.20 0.00 0.00 173.24 175.74 3isr n LEU 262 N 2.32 2.74 -4.86 3.45 4.77 0.36 -4.89 117.00 120.88 3isr n LEU 262 Ca 0.03 -1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 54.61 3isr n LEU 262 Cb 0.45 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3isr n LEU 262 CO 0.55 0.55 0.62 -1.81 -1.33 0.00 0.00 177.39 175.97 3isr s ASP 263 N -1.66 6.44 -0.01 -1.43 1.01 -1.26 -4.98 116.67 114.78 3isr s ASP 263 Ca 0.35 1.36 -0.22 0.00 0.71 0.00 0.00 52.55 54.75 3isr s ASP 263 Cb 0.21 -2.43 -0.14 0.00 1.01 0.00 0.00 42.92 41.57 3isr s ASP 263 CO 0.30 -0.64 0.99 0.71 0.21 0.00 0.00 175.17 176.75 3isr h THR 264 N 0.48 0.40 -2.47 -1.27 1.35 -1.99 -3.40 112.91 106.00 3isr h THR 264 Ca -0.46 -0.63 -0.61 0.00 -0.55 0.00 0.00 66.41 64.17 3isr h THR 264 Cb 1.19 0.61 -0.42 0.00 -1.73 0.00 0.00 68.15 67.80 3isr h THR 264 CO 0.62 0.08 -0.60 -0.90 -0.25 0.00 0.00 175.52 174.47 3isr n ASP 265 N -5.16 3.44 -4.64 5.36 5.68 -1.26 -5.06 116.55 114.92 3isr n ASP 265 Ca -0.09 -3.35 -0.43 0.00 -0.50 0.00 0.00 54.79 50.42 3isr n ASP 265 Cb 0.28 -0.70 -0.02 0.00 -1.14 0.00 0.00 41.12 39.54 3isr n ASP 265 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3isr s PHE 266 N -2.12 2.24 -0.23 2.11 5.36 -1.26 -5.01 117.98 119.06 3isr s PHE 266 Ca 0.35 0.56 -0.03 0.00 -0.96 0.00 0.00 56.93 56.85 3isr s PHE 266 Cb 0.09 -3.88 0.01 0.00 -0.34 0.00 0.00 43.02 38.89 3isr s PHE 266 CO -0.06 -2.86 -0.06 0.95 -1.46 0.00 0.00 175.22 171.73 3isr s THR 267 N 4.59 3.10 0.32 0.12 -4.23 -1.26 -5.09 115.64 113.18 3isr s THR 267 Ca 0.68 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 60.16 3isr s THR 267 Cb -0.26 -2.47 -0.11 0.00 1.34 0.00 0.00 72.50 71.01 3isr s THR 267 CO 0.26 0.34 1.42 -2.16 -0.54 0.00 0.00 174.62 173.94 3isr s PRO 268 N 1.41 4.24 -0.21 3.99 0.04 -1.26 -5.01 135.00 138.20 3isr s PRO 268 Ca 0.04 2.38 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 3isr s PRO 268 Cb -0.15 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3isr s PRO 268 CO -0.04 -0.40 0.08 0.12 0.04 0.00 0.00 177.00 176.80 3isr s PHE 269 N -0.73 3.22 0.07 0.56 5.36 -1.26 -5.03 117.98 120.16 3isr s PHE 269 Ca 0.54 -0.00 0.05 0.00 -0.96 0.00 0.00 56.93 56.56 3isr s PHE 269 Cb -0.43 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 3isr s PHE 269 CO 0.53 0.03 -0.13 -1.58 -1.46 0.00 0.00 175.22 172.61 3isr s TRP 270 N 0.74 1.14 0.53 10.12 0.52 -1.26 -2.06 118.94 128.66 3isr s TRP 270 Ca 0.04 -0.46 -0.17 0.00 0.02 0.00 0.00 56.10 55.53 3isr s TRP 270 Cb -0.13 -0.65 -0.07 0.00 -1.15 0.00 0.00 33.47 31.47 3isr s TRP 270 CO 0.02 0.04 1.01 0.71 0.02 0.00 0.00 176.95 178.75 3isr s TYR 271 N -1.26 3.21 -0.04 -1.98 2.02 -1.26 -5.08 117.35 112.97 3isr s TYR 271 Ca -0.03 1.51 0.03 0.00 -0.37 0.00 0.00 57.07 58.22 3isr s TYR 271 Cb -0.10 -2.91 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 3isr s TYR 271 CO 0.02 -0.67 -0.12 0.16 -1.57 0.00 0.00 175.55 173.37 3isr s ASP 272 N -2.72 1.63 0.64 2.29 1.47 -1.26 -5.02 116.67 113.71 3isr s ASP 272 Ca 0.62 -0.26 0.20 0.00 1.18 0.00 0.00 52.55 54.29 3isr s ASP 272 Cb -0.13 -0.49 1.01 0.00 -0.34 0.00 0.00 42.92 42.96 3isr s ASP 272 CO 0.30 0.09 1.55 0.11 0.68 0.00 0.00 175.17 177.89 3isr h LYS 273 N 6.43 0.00 -0.63 2.11 1.79 -1.99 0.10 116.57 124.38 3isr h LYS 273 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3isr h LYS 273 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3isr h LYS 273 CO 0.48 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.94 3isr n ASN 274 N -2.97 4.62 -4.10 0.86 3.02 -1.26 -4.80 115.26 110.64 3isr n ASN 274 Ca 0.04 -2.42 -0.32 0.00 -0.03 0.00 0.00 54.58 51.85 3isr n ASN 274 Cb 0.79 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.96 2.97 -1.28 6.41 0.01 0.35 -5.04 113.70 116.16 3isr s SER 275 Ca 0.50 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 57.09 3isr s SER 275 Cb 0.32 -1.38 0.16 0.00 0.21 0.00 0.00 66.02 65.33 3isr s SER 275 CO 0.24 0.00 1.98 0.18 0.41 0.00 0.00 173.24 176.06 3isr n LEU 276 N 4.54 6.99 -4.05 2.44 7.99 -1.26 -4.71 117.00 128.93 3isr n LEU 276 Ca -0.20 -4.73 -0.21 0.00 -0.01 0.00 0.00 56.01 50.86 3isr n LEU 276 Cb 0.50 -1.44 -0.15 0.00 -0.11 0.00 0.00 43.42 42.22 3isr n LEU 276 CO 0.25 1.56 -0.46 -0.54 -1.51 0.00 0.00 177.39 176.69 3isr s LYS 277 N -0.10 1.09 -0.09 3.23 3.01 -1.26 0.11 119.74 125.72 3isr s LYS 277 Ca 0.43 -0.41 0.03 0.00 -1.01 0.00 0.00 55.97 55.01 3isr s LYS 277 Cb 0.12 -1.02 -0.01 0.00 -1.01 0.00 0.00 37.83 35.91 3isr s LYS 277 CO -0.01 0.20 -0.20 0.20 0.51 0.00 0.00 175.35 176.04 3isr s GLY 278 N -0.05 1.40 -0.01 -3.33 0.00 0.95 -4.90 107.32 101.39 3isr s GLY 278 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 3isr s GLY 278 CO 0.00 -0.44 0.63 -2.27 0.00 0.00 0.00 173.10 171.02 3isr s LEU 279 N 0.07 4.41 -0.03 0.66 0.20 -1.26 0.05 118.68 122.77 3isr s LEU 279 Ca -0.09 1.20 0.01 0.00 0.69 0.00 0.00 54.13 55.93 3isr s LEU 279 Cb -0.15 -2.98 0.02 0.00 -0.43 0.00 0.00 46.19 42.65 3isr s LEU 279 CO 0.06 0.07 -0.01 -0.55 -0.29 0.00 0.00 176.35 175.62 3isr s SER 280 N -0.05 0.45 -0.73 3.68 0.15 -0.33 -1.45 113.70 115.41 3isr s SER 280 Ca 0.33 -0.04 -0.25 0.00 0.70 0.00 0.00 55.95 56.69 3isr s SER 280 Cb -0.18 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 63.95 3isr s SER 280 CO 0.18 -0.08 1.17 -0.36 1.20 0.00 0.00 173.24 175.34 3isr s PHE 281 N 0.92 2.46 0.00 3.44 0.08 -1.26 -0.98 117.98 122.63 3isr s PHE 281 Ca -0.10 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3isr s PHE 281 Cb -0.13 -4.50 0.00 0.00 -0.57 0.00 0.00 43.02 37.82 3isr s PHE 281 CO -0.01 -1.90 0.00 0.00 -0.10 0.00 0.00 175.22 173.20