#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isr n SER 37 N 0.00 -3.18 -4.14 0.55 7.64 -1.26 -4.90 113.62 108.33 1isr n SER 37 Ca 0.00 1.06 -0.26 0.00 1.01 0.00 0.00 58.87 60.68 1isr n SER 37 Cb 0.00 -4.28 -0.16 0.00 -1.01 0.00 0.00 64.21 58.76 1isr n SER 37 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1isr s VAL 38 N -0.82 1.40 -0.31 0.44 1.01 -1.26 -4.64 120.40 116.22 1isr s VAL 38 Ca -0.13 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1isr s VAL 38 Cb 0.01 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1isr s VAL 38 CO 0.61 0.40 0.49 0.00 0.00 0.00 0.00 175.10 176.60 1isr s ALA 39 N -0.03 3.52 0.27 5.51 0.00 -0.97 -4.82 121.76 125.24 1isr s ALA 39 Ca -0.02 -0.88 0.12 0.00 0.00 0.00 0.00 51.96 51.18 1isr s ALA 39 Cb -0.11 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1isr s ALA 39 CO 0.02 -0.99 -0.20 1.03 0.00 0.00 0.00 175.76 175.62 1isr s ARG 40 N 2.31 1.69 -0.26 0.00 0.52 -1.26 -0.44 118.95 121.50 1isr s ARG 40 Ca 0.18 -1.74 -0.08 0.00 -0.52 0.00 0.00 55.73 53.57 1isr s ARG 40 Cb -0.16 -1.79 0.12 0.00 0.52 0.00 0.00 34.95 33.65 1isr s ARG 40 CO 0.12 0.34 0.55 1.41 0.02 0.00 0.00 175.30 177.73 1isr s MET 41 N -3.47 0.48 0.41 3.54 -2.45 -0.25 -4.94 119.30 112.62 1isr s MET 41 Ca 0.30 1.23 -0.11 0.00 -1.25 0.00 0.00 55.69 55.85 1isr s MET 41 Cb -0.05 0.59 -0.07 0.00 1.25 0.00 0.00 34.83 36.56 1isr s MET 41 CO 0.15 -0.27 0.79 0.34 1.05 0.00 0.00 175.02 177.07 1isr s ASP 42 N 2.78 6.53 0.00 1.11 2.15 -1.26 -0.41 116.67 127.57 1isr s ASP 42 Ca -0.01 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.14 1isr s ASP 42 Cb -0.12 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1isr s ASP 42 CO -0.17 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 1isr n GLY 43 N -1.31 1.53 0.13 2.66 0.00 -1.26 -4.58 105.19 102.36 1isr n GLY 43 Ca 0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1isr n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1isr n ASP 44 N 0.00 1.79 -3.99 1.61 8.00 0.69 -4.85 116.55 119.80 1isr n ASP 44 Ca 0.00 -0.02 -0.31 0.00 0.71 0.00 0.00 54.79 55.17 1isr n ASP 44 Cb 0.00 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 40.57 1isr n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1isr s VAL 45 N -2.53 1.73 -0.03 2.53 1.01 -1.01 -4.98 120.40 117.12 1isr s VAL 45 Ca -0.28 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 1isr s VAL 45 Cb 0.08 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1isr s VAL 45 CO 0.67 -0.03 0.65 -0.63 0.00 0.00 0.00 175.10 175.76 1isr s ILE 46 N 1.31 4.97 -0.28 2.22 -1.09 -1.26 -0.42 121.20 126.66 1isr s ILE 46 Ca -0.06 1.35 0.01 0.00 -2.23 0.00 0.00 60.65 59.72 1isr s ILE 46 Cb -0.19 -3.99 0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1isr s ILE 46 CO -0.06 0.33 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.29 1isr s ILE 47 N 0.33 2.56 0.73 2.92 1.01 -0.87 -0.99 121.20 126.88 1isr s ILE 47 Ca 0.34 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 1isr s ILE 47 Cb -0.18 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1isr s ILE 47 CO 0.18 -0.04 1.07 -0.83 0.00 0.00 0.00 174.94 175.32 1isr s GLY 48 N 1.18 1.65 -0.20 6.18 0.00 -0.59 -3.12 107.32 112.42 1isr s GLY 48 Ca -0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 44.72 44.31 1isr s GLY 48 CO -0.03 0.28 0.75 0.00 0.00 0.00 0.00 173.10 174.10 1isr s ALA 49 N -3.12 -1.80 -0.17 3.20 0.00 -1.05 -1.64 121.76 117.18 1isr s ALA 49 Ca 0.59 1.80 -0.00 0.00 0.00 0.00 0.00 51.96 54.34 1isr s ALA 49 Cb -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1isr s ALA 49 CO 0.54 -0.34 -0.14 -0.51 0.00 0.00 0.00 175.76 175.31 1isr s LEU 50 N -0.14 2.48 -0.00 0.00 1.43 -0.48 -1.04 118.68 120.93 1isr s LEU 50 Ca -0.03 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1isr s LEU 50 Cb -0.03 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1isr s LEU 50 CO 0.03 0.06 -0.11 -0.36 0.23 0.00 0.00 176.35 176.20 1isr s PHE 51 N 0.99 0.96 -1.12 0.29 0.08 -1.04 -4.48 117.98 113.65 1isr s PHE 51 Ca -0.02 -0.21 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 1isr s PHE 51 Cb -0.15 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1isr s PHE 51 CO -0.03 -0.01 1.80 0.45 -0.10 0.00 0.00 175.22 177.33 1isr s SER 52 N -0.40 5.78 0.25 1.36 0.15 -1.18 -2.40 113.70 117.27 1isr s SER 52 Ca 0.03 -1.61 0.02 0.00 0.70 0.00 0.00 55.95 55.09 1isr s SER 52 Cb -0.05 -2.58 0.29 0.00 -1.71 0.00 0.00 66.02 61.98 1isr s SER 52 CO -0.00 -2.24 1.61 0.58 1.20 0.00 0.00 173.24 174.39 1isr h VAL 53 N 6.37 1.33 -2.54 4.45 2.07 -1.87 -3.13 116.25 122.93 1isr h VAL 53 Ca 0.25 -1.68 -0.51 0.00 0.82 0.00 0.00 66.70 65.57 1isr h VAL 53 Cb 0.95 1.73 -0.14 0.00 -1.52 0.00 0.00 31.29 32.31 1isr h VAL 53 CO 1.32 0.51 -0.61 -1.00 0.02 0.00 0.00 177.57 177.81 1isr s HIS 54 N -4.06 2.10 1.00 1.57 3.76 -1.26 -0.03 115.29 118.36 1isr s HIS 54 Ca -0.06 -0.86 -0.16 0.00 -0.15 0.00 0.00 55.06 53.83 1isr s HIS 54 Cb 0.12 -1.39 0.20 0.00 1.11 0.00 0.00 32.58 32.63 1isr s HIS 54 CO 0.80 0.15 1.24 -1.01 -0.85 0.00 0.00 174.74 175.07 1isr s HIS 55 N -3.12 1.54 0.48 1.40 0.09 -0.82 -4.23 115.29 110.63 1isr s HIS 55 Ca 0.35 0.45 -0.19 0.00 -0.00 0.00 0.00 55.06 55.67 1isr s HIS 55 Cb 0.09 -3.84 -0.09 0.00 -0.00 0.00 0.00 32.58 28.74 1isr s HIS 55 CO 0.16 -2.84 0.99 1.14 -0.00 0.00 0.00 174.74 174.19 1isr s GLN 56 N -5.69 3.97 0.39 1.40 -2.07 -1.05 -2.28 119.66 114.32 1isr s GLN 56 Ca 0.71 1.15 -0.27 0.00 -1.82 0.00 0.00 55.36 55.13 1isr s GLN 56 Cb -0.07 -2.13 -0.10 0.00 -1.09 0.00 0.00 33.01 29.62 1isr s GLN 56 CO 0.53 -0.27 1.40 -2.14 -1.32 0.00 0.00 175.29 173.50 1isr s PRO 57 N -3.49 4.04 0.95 9.60 0.02 -1.26 -3.99 135.00 140.87 1isr s PRO 57 Ca 0.63 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.93 1isr s PRO 57 Cb -0.12 -2.88 0.12 0.00 0.02 0.00 0.00 34.50 31.64 1isr s PRO 57 CO 0.21 -0.52 0.87 -2.30 -0.33 0.00 0.00 177.00 174.93 1isr n PRO 58 N 0.33 -0.54 -0.31 5.54 -0.02 -1.26 -4.65 135.00 134.08 1isr n PRO 58 Ca 0.02 -0.10 0.18 0.00 -2.02 0.00 0.00 63.50 61.58 1isr n PRO 58 Cb 0.41 -2.18 0.44 0.00 -0.02 0.00 0.00 33.50 32.15 1isr n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1isr h ALA 59 N -1.84 2.02 0.00 3.55 0.00 -1.93 -0.40 119.26 120.65 1isr h ALA 59 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1isr h ALA 59 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1isr h ALA 59 CO 0.39 -0.39 -0.11 -0.85 0.00 0.00 0.00 179.25 178.30 1isr n GLU 60 N -4.66 0.09 0.00 0.00 0.00 -1.26 -3.75 120.64 111.06 1isr n GLU 60 Ca 0.23 0.06 0.08 0.00 0.00 0.00 0.00 57.16 57.54 1isr n GLU 60 Cb 0.72 -1.59 0.06 0.00 0.00 0.00 0.00 31.44 30.63 1isr n GLU 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1isr n LYS 61 N -1.74 1.39 -0.17 3.44 4.76 -0.18 -4.62 118.16 121.03 1isr n LYS 61 Ca 0.06 -1.36 -0.03 0.00 -2.87 0.00 0.00 58.31 54.11 1isr n LYS 61 Cb 0.37 -1.31 0.07 0.00 -1.84 0.00 0.00 35.03 32.32 1isr n LYS 61 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1isr h VAL 62 N 2.99 0.84 -0.87 -0.18 2.07 -1.58 -0.85 116.25 118.67 1isr h VAL 62 Ca 0.00 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1isr h VAL 62 Cb 0.67 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1isr h VAL 62 CO 0.00 0.07 0.52 -0.65 0.02 0.00 0.00 177.57 177.53 1isr h PRO 63 N 0.39 0.84 -0.01 1.57 0.11 -1.86 -1.49 132.00 131.56 1isr h PRO 63 Ca 0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1isr h PRO 63 Cb 0.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1isr h PRO 63 CO -0.25 0.56 -0.22 -0.85 -0.21 0.00 0.00 178.00 177.04 1isr n GLU 64 N -4.69 0.96 -3.47 1.05 0.28 -1.06 -4.99 120.64 108.72 1isr n GLU 64 Ca 0.14 -0.56 -0.22 0.00 -0.16 0.00 0.00 57.16 56.36 1isr n GLU 64 Cb 0.27 -1.49 0.05 0.00 1.43 0.00 0.00 31.44 31.70 1isr n GLU 64 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1isr n ARG 65 N -0.53 -1.60 -3.76 3.44 1.74 -0.35 -4.99 116.66 110.61 1isr n ARG 65 Ca 0.13 0.72 -0.38 0.00 -0.77 0.00 0.00 57.85 57.55 1isr n ARG 65 Cb 0.35 -4.81 -0.12 0.00 -1.02 0.00 0.00 32.46 26.85 1isr n ARG 65 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1isr s LYS 66 N -5.08 2.60 0.79 5.56 2.20 -1.18 -5.06 119.74 119.58 1isr s LYS 66 Ca 0.41 -1.21 -0.11 0.00 -0.36 0.00 0.00 55.97 54.70 1isr s LYS 66 Cb -0.11 -3.46 0.07 0.00 -1.51 0.00 0.00 37.83 32.82 1isr s LYS 66 CO 0.81 -0.68 1.09 0.00 -0.36 0.00 0.00 175.35 176.21 1isr n GLY 68 N -1.24 -0.47 3.94 0.00 0.00 -0.97 -4.86 105.19 101.59 1isr n GLY 68 Ca 0.09 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 1isr n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1isr s GLU 69 N 0.00 3.05 0.51 1.61 -1.05 -1.26 -4.57 118.70 117.00 1isr s GLU 69 Ca 0.00 -0.26 -0.23 0.00 -0.15 0.00 0.00 54.97 54.33 1isr s GLU 69 Cb 0.00 -2.44 -0.06 0.00 -0.44 0.00 0.00 34.13 31.19 1isr s GLU 69 CO 0.00 -0.42 1.34 1.51 0.95 0.00 0.00 175.26 178.64 1isr n ILE 70 N -2.27 3.45 -4.39 1.83 0.13 -1.26 -1.94 119.36 114.90 1isr n ILE 70 Ca 0.02 -0.50 -0.27 0.00 -1.10 0.00 0.00 62.75 60.91 1isr n ILE 70 Cb 0.57 -1.66 -0.12 0.00 -0.84 0.00 0.00 39.64 37.59 1isr n ILE 70 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1isr s ARG 71 N -2.70 1.41 -0.06 9.51 0.52 0.95 -4.86 118.95 123.72 1isr s ARG 71 Ca 0.68 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 54.40 1isr s ARG 71 Cb -0.44 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 1isr s ARG 71 CO 0.52 0.39 -0.15 -1.91 0.02 0.00 0.00 175.30 174.17 1isr n GLU 72 N 0.57 0.23 0.10 3.54 2.13 -1.26 -2.28 120.64 123.67 1isr n GLU 72 Ca -0.15 0.09 -0.12 0.00 0.66 0.00 0.00 57.16 57.64 1isr n GLU 72 Cb 0.55 -0.85 -0.05 0.00 0.27 0.00 0.00 31.44 31.35 1isr n GLU 72 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1isr h GLN 73 N -0.44 -0.42 -0.17 5.31 7.50 -1.97 -0.57 115.11 124.36 1isr h GLN 73 Ca 0.00 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1isr h GLN 73 Cb 0.44 0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1isr h GLN 73 CO 0.00 -0.28 0.00 0.66 -1.50 0.00 0.00 178.83 177.71 1isr n TYR 74 N -5.37 0.22 0.00 2.96 4.02 -1.26 -4.29 117.16 113.44 1isr n TYR 74 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1isr n TYR 74 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1isr n TYR 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1isr n GLY 75 N 1.18 0.49 0.23 2.72 0.00 -1.05 -3.08 105.19 105.68 1isr n GLY 75 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1isr n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1isr h ILE 76 N 0.00 0.87 -0.33 -0.61 1.08 -1.25 -2.18 117.51 115.09 1isr h ILE 76 Ca 0.00 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1isr h ILE 76 Cb 0.00 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1isr h ILE 76 CO 0.00 0.09 0.22 1.56 -0.69 0.00 0.00 178.15 179.33 1isr h GLN 77 N 0.50 0.39 0.10 2.37 4.20 -1.33 -0.64 115.11 120.70 1isr h GLN 77 Ca 0.29 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.71 1isr h GLN 77 Cb 0.27 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1isr h GLN 77 CO -0.24 0.26 -1.16 0.00 -0.67 0.00 0.00 178.83 177.02 1isr h ARG 78 N 0.40 0.32 -0.40 1.46 3.08 -1.61 -0.88 114.38 116.74 1isr h ARG 78 Ca 0.13 -0.47 -0.11 0.00 0.07 0.00 0.00 59.98 59.60 1isr h ARG 78 Cb 0.02 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1isr h ARG 78 CO -0.03 1.19 -0.20 0.28 -1.07 0.00 0.00 179.97 180.14 1isr h VAL 79 N 0.12 1.27 -0.24 2.04 2.07 -0.94 -1.65 116.25 118.92 1isr h VAL 79 Ca -0.12 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 65.91 1isr h VAL 79 Cb 1.86 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1isr h VAL 79 CO 0.19 0.44 -0.54 -0.33 0.02 0.00 0.00 177.57 177.35 1isr h GLU 80 N 0.69 0.79 0.00 1.57 4.39 -1.14 -2.78 114.58 118.10 1isr h GLU 80 Ca 0.10 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1isr h GLU 80 Cb 0.71 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1isr h GLU 80 CO 0.05 1.16 0.00 0.00 -1.16 0.00 0.00 179.01 179.06 1isr h ALA 81 N 0.63 1.00 0.06 3.43 0.00 -0.97 -0.56 119.26 122.85 1isr h ALA 81 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1isr h ALA 81 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1isr h ALA 81 CO 0.12 0.00 -0.03 1.98 0.00 0.00 0.00 179.25 181.32 1isr h MET 82 N 0.00 -0.08 -0.07 0.00 1.85 -1.03 -2.85 114.93 112.74 1isr h MET 82 Ca 0.00 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1isr h MET 82 Cb 0.29 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.33 1isr h MET 82 CO 0.00 0.48 0.03 0.74 -0.40 0.00 0.00 176.91 177.77 1isr h PHE 83 N -0.90 0.10 -0.45 1.39 0.05 -1.32 -2.50 116.94 113.31 1isr h PHE 83 Ca -0.01 -0.00 0.09 0.00 3.82 0.00 0.00 57.97 61.87 1isr h PHE 83 Cb 0.60 -0.03 -0.09 0.00 2.00 0.00 0.00 35.95 38.43 1isr h PHE 83 CO 0.14 0.18 -0.15 1.25 -0.18 0.00 0.00 178.31 179.55 1isr h HIS 84 N -0.01 -0.36 -0.79 -0.55 2.76 -1.24 0.20 115.15 115.17 1isr h HIS 84 Ca 0.02 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1isr h HIS 84 Cb 0.12 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 1isr h HIS 84 CO -0.03 -0.24 0.33 1.15 -1.30 0.00 0.00 177.93 177.84 1isr h THR 85 N -0.05 1.26 -0.73 6.26 2.02 -1.45 -2.55 112.91 117.66 1isr h THR 85 Ca 0.22 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1isr h THR 85 Cb 0.38 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1isr h THR 85 CO -0.49 0.33 0.21 -0.07 0.37 0.00 0.00 175.52 175.87 1isr h LEU 86 N 1.14 1.09 -0.93 2.58 3.38 -0.83 -0.83 115.31 120.91 1isr h LEU 86 Ca 0.27 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1isr h LEU 86 Cb 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1isr h LEU 86 CO -0.03 1.02 0.61 0.44 0.09 0.00 0.00 178.44 180.57 1isr h ASP 87 N 1.10 1.04 -0.22 -0.43 3.32 -0.71 0.16 116.42 120.68 1isr h ASP 87 Ca 0.23 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1isr h ASP 87 Cb 0.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1isr h ASP 87 CO -0.00 0.74 0.02 0.11 -1.72 0.00 0.00 179.24 178.38 1isr h LYS 88 N 1.22 0.37 -0.37 3.56 1.57 -1.04 -1.71 116.57 120.17 1isr h LYS 88 Ca 0.35 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1isr h LYS 88 Cb -0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1isr h LYS 88 CO -0.09 0.54 -0.07 0.82 -0.57 0.00 0.00 179.45 180.07 1isr h ILE 89 N 0.15 1.23 -0.00 1.86 2.04 -0.74 -0.53 117.51 121.52 1isr h ILE 89 Ca 0.06 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1isr h ILE 89 Cb 0.36 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1isr h ILE 89 CO 0.01 0.34 -0.02 0.59 0.00 0.00 0.00 178.15 179.07 1isr n ASN 90 N -4.21 0.08 -0.05 1.72 3.02 0.54 -2.84 115.26 113.52 1isr n ASN 90 Ca 0.01 -0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.29 1isr n ASN 90 Cb 0.31 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 1isr n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1isr n ALA 91 N -1.19 3.45 -2.44 5.41 0.00 -0.65 -4.97 120.51 120.12 1isr n ALA 91 Ca 0.16 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1isr n ALA 91 Cb 0.23 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 1isr n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1isr s ASP 92 N -2.03 7.26 0.12 0.00 -1.08 -0.29 -4.98 116.67 115.67 1isr s ASP 92 Ca 0.05 1.51 0.05 0.00 -0.52 0.00 0.00 52.55 53.64 1isr s ASP 92 Cb 0.09 -2.50 -0.20 0.00 -1.46 0.00 0.00 42.92 38.85 1isr s ASP 92 CO 0.46 -0.04 1.26 1.55 0.52 0.00 0.00 175.17 178.92 1isr h PRO 93 N 5.89 0.06 0.00 4.34 0.13 -1.90 -3.39 132.00 137.14 1isr h PRO 93 Ca -0.43 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1isr h PRO 93 Cb 1.21 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1isr h PRO 93 CO 0.72 1.03 -0.06 0.28 -0.23 0.00 0.00 178.00 179.75 1isr h VAL 94 N 0.02 0.72 -3.02 1.56 2.07 -1.93 -3.36 116.25 112.31 1isr h VAL 94 Ca -0.04 -1.55 -0.57 0.00 0.82 0.00 0.00 66.70 65.36 1isr h VAL 94 Cb 1.78 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 1isr h VAL 94 CO 0.14 0.24 1.11 -0.22 0.02 0.00 0.00 177.57 178.87 1isr s LEU 95 N -8.39 3.68 -0.62 2.57 2.96 -1.26 -3.86 118.68 113.76 1isr s LEU 95 Ca -0.09 1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 54.90 1isr s LEU 95 Cb -0.01 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 1isr s LEU 95 CO 0.29 -1.39 0.65 0.18 -1.32 0.00 0.00 176.35 174.76 1isr n LEU 96 N 8.84 -6.08 0.00 -0.68 4.77 -1.26 -4.76 117.00 117.82 1isr n LEU 96 Ca 0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1isr n LEU 96 Cb 0.47 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1isr n LEU 96 CO 0.67 -1.21 0.10 -2.65 -1.33 0.00 0.00 177.39 172.97 1isr n PRO 97 N -1.26 0.00 -2.04 3.23 -0.02 -1.25 -3.34 135.00 130.32 1isr n PRO 97 Ca -0.01 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.32 1isr n PRO 97 Cb 0.53 -0.61 0.03 0.00 -0.02 0.00 0.00 33.50 33.43 1isr n PRO 97 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1isr n ASN 98 N -0.43 6.56 -3.89 2.55 4.13 -1.26 -4.88 115.26 118.03 1isr n ASN 98 Ca 0.00 -3.79 -0.26 0.00 1.68 0.00 0.00 54.58 52.21 1isr n ASN 98 Cb 0.00 -0.84 -0.17 0.00 -1.54 0.00 0.00 39.78 37.23 1isr n ASN 98 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1isr s ILE 99 N -5.17 0.92 -0.22 2.41 1.01 -1.21 -4.67 121.20 114.27 1isr s ILE 99 Ca 0.52 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 1isr s ILE 99 Cb 0.43 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1isr s ILE 99 CO -0.29 0.35 0.18 0.42 0.00 0.00 0.00 174.94 175.60 1isr s THR 100 N 1.70 5.36 -0.08 2.92 -4.23 -1.26 -4.88 115.64 115.17 1isr s THR 100 Ca 0.04 0.26 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 1isr s THR 100 Cb -0.13 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1isr s THR 100 CO -0.07 0.37 0.56 -0.76 -0.54 0.00 0.00 174.62 174.17 1isr s LEU 101 N 0.83 4.32 0.00 4.79 1.43 -1.26 -0.22 118.68 128.56 1isr s LEU 101 Ca 0.09 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 1isr s LEU 101 Cb -0.13 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1isr s LEU 101 CO 0.03 -0.01 0.07 0.61 0.23 0.00 0.00 176.35 177.29 1isr n GLY 102 N 3.04 2.56 3.61 -3.19 0.00 0.44 -4.78 105.19 106.88 1isr n GLY 102 Ca -0.06 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 1isr n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isr s SER 103 N -1.44 -0.57 -0.37 1.61 1.04 0.45 -2.06 113.70 112.36 1isr s SER 103 Ca 0.06 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.49 1isr s SER 103 Cb -0.00 0.95 0.11 0.00 0.10 0.00 0.00 66.02 67.18 1isr s SER 103 CO 0.04 -0.28 0.14 -0.70 0.98 0.00 0.00 173.24 173.41 1isr s GLU 104 N -0.12 1.16 -0.03 4.02 2.12 -1.18 -1.09 118.70 123.58 1isr s GLU 104 Ca -0.01 -1.66 -0.18 0.00 0.36 0.00 0.00 54.97 53.48 1isr s GLU 104 Cb -0.04 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 1isr s GLU 104 CO -0.00 -1.04 0.51 0.42 -0.54 0.00 0.00 175.26 174.61 1isr s ILE 105 N 0.93 5.00 0.03 -3.70 1.01 0.41 -2.53 121.20 122.36 1isr s ILE 105 Ca 0.13 1.04 0.04 0.00 0.00 0.00 0.00 60.65 61.86 1isr s ILE 105 Cb -0.20 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1isr s ILE 105 CO -0.12 0.45 -0.11 -0.13 0.00 0.00 0.00 174.94 175.03 1isr s ARG 106 N -0.28 0.76 0.22 2.79 0.52 -0.20 -2.30 118.95 120.44 1isr s ARG 106 Ca 0.27 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 1isr s ARG 106 Cb -0.17 -0.71 -0.08 0.00 0.52 0.00 0.00 34.95 34.51 1isr s ARG 106 CO 0.14 0.17 1.09 0.34 0.02 0.00 0.00 175.30 177.06 1isr s ASP 107 N -1.07 7.29 -0.05 0.23 3.68 -1.26 -2.48 116.67 123.00 1isr s ASP 107 Ca -0.01 2.14 0.12 0.00 2.13 0.00 0.00 52.55 56.93 1isr s ASP 107 Cb -0.07 -2.61 -0.18 0.00 -1.45 0.00 0.00 42.92 38.60 1isr s ASP 107 CO 0.01 -0.17 0.20 -1.54 0.13 0.00 0.00 175.17 173.80 1isr n SER 108 N 1.89 2.09 -0.93 -0.34 3.41 -1.01 -4.68 113.62 114.06 1isr n SER 108 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 1isr n SER 108 Cb 0.46 1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 65.68 1isr n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1isr n TRP 110 N -2.11 -2.00 -3.64 0.00 -0.00 -1.26 -2.53 117.44 105.90 1isr n TRP 110 Ca -0.12 0.58 -0.06 0.00 -0.00 0.00 0.00 57.50 57.91 1isr n TRP 110 Cb 0.57 -3.68 -0.06 0.00 -0.00 0.00 0.00 31.31 28.14 1isr n TRP 110 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1isr s HIS 111 N -3.50 -1.12 0.55 5.87 2.46 -1.02 -4.59 115.29 113.94 1isr s HIS 111 Ca 0.40 2.16 0.28 0.00 0.47 0.00 0.00 55.06 58.37 1isr s HIS 111 Cb -0.12 0.67 1.46 0.00 -0.13 0.00 0.00 32.58 34.45 1isr s HIS 111 CO 0.84 -0.56 1.96 0.77 -2.47 0.00 0.00 174.74 175.27 1isr h SER 112 N 7.26 0.00 0.11 9.88 0.02 -1.90 -0.03 113.55 128.89 1isr h SER 112 Ca -0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1isr h SER 112 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1isr h SER 112 CO 0.15 0.00 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.50 1isr h SER 113 N 0.00 -0.13 -0.56 3.07 0.87 -1.96 -2.26 113.55 112.59 1isr h SER 113 Ca 0.26 -0.44 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 1isr h SER 113 Cb 1.16 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1isr h SER 113 CO -0.00 0.49 -0.09 0.58 -0.53 0.00 0.00 176.83 177.27 1isr h VAL 114 N -0.86 1.27 0.00 2.23 2.07 -1.75 -1.32 116.25 117.88 1isr h VAL 114 Ca -0.02 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1isr h VAL 114 Cb 0.56 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1isr h VAL 114 CO 0.03 0.44 -0.11 0.00 0.02 0.00 0.00 177.57 177.94 1isr h ALA 115 N 0.94 1.79 0.01 1.67 0.00 -1.08 -1.25 119.26 121.34 1isr h ALA 115 Ca 0.15 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1isr h ALA 115 Cb 0.66 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1isr h ALA 115 CO 0.05 0.14 -1.06 1.25 0.00 0.00 0.00 179.25 179.63 1isr h LEU 116 N 0.00 0.03 -0.79 0.00 5.85 -0.99 -2.54 115.31 116.87 1isr h LEU 116 Ca -0.00 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1isr h LEU 116 Cb 0.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1isr h LEU 116 CO 0.01 1.03 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.90 1isr h GLU 117 N 0.01 0.74 0.03 1.25 4.81 -0.15 -2.78 114.58 118.48 1isr h GLU 117 Ca -0.04 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 58.71 1isr h GLU 117 Cb 1.80 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.11 1isr h GLU 117 CO 0.13 0.86 -1.01 1.96 -0.73 0.00 0.00 179.01 180.22 1isr h GLN 118 N 0.66 0.11 -0.31 1.92 1.08 -1.32 -3.21 115.11 114.03 1isr h GLN 118 Ca 0.10 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1isr h GLN 118 Cb 0.64 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1isr h GLN 118 CO 0.05 1.02 -0.03 0.77 -0.95 0.00 0.00 178.83 179.69 1isr h SER 119 N 0.04 0.46 -0.60 1.46 0.02 -1.33 -1.32 113.55 112.28 1isr h SER 119 Ca -0.05 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1isr h SER 119 Cb 1.72 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 1isr h SER 119 CO 0.15 0.54 0.40 0.40 -1.14 0.00 0.00 176.83 177.18 1isr h ILE 120 N 0.46 1.12 -0.41 3.27 1.08 -1.50 -1.05 117.51 120.49 1isr h ILE 120 Ca 0.10 -0.27 -0.09 0.00 -0.39 0.00 0.00 64.86 64.21 1isr h ILE 120 Cb 0.35 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 1isr h ILE 120 CO 0.01 0.14 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.17 1isr h GLU 121 N 0.77 0.73 0.00 2.37 4.39 -1.32 -2.11 114.58 119.42 1isr h GLU 121 Ca 0.23 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1isr h GLU 121 Cb -0.02 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1isr h GLU 121 CO -0.06 0.82 -0.10 0.74 -1.16 0.00 0.00 179.01 179.25 1isr h PHE 122 N 0.66 0.00 -0.21 4.33 0.04 -0.93 -2.99 116.94 117.85 1isr h PHE 122 Ca 0.11 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 1isr h PHE 122 Cb 0.57 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1isr h PHE 122 CO 0.03 0.10 -0.05 0.44 -0.60 0.00 0.00 178.31 178.23 1isr n ILE 123 N -4.25 2.26 -0.04 -0.55 -6.64 -0.96 -4.66 119.36 104.53 1isr n ILE 123 Ca -0.03 -2.30 -0.14 0.00 -1.77 0.00 0.00 62.75 58.52 1isr n ILE 123 Cb 0.18 -0.27 -0.12 0.00 -1.44 0.00 0.00 39.64 37.99 1isr n ILE 123 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 1isr h ARG 124 N 1.11 0.04 -3.15 6.28 2.43 -1.24 -3.50 114.38 116.35 1isr h ARG 124 Ca 0.06 -0.04 -0.35 0.00 -0.81 0.00 0.00 59.98 58.85 1isr h ARG 124 Cb 1.37 0.01 0.06 0.00 -0.42 0.00 0.00 29.97 31.00 1isr h ARG 124 CO 0.20 0.83 -0.33 1.63 -1.51 0.00 0.00 179.97 180.79 1isr n LYS 154 N -4.66 0.00 -1.52 0.20 5.02 -1.26 -5.08 118.16 110.86 1isr n LYS 154 Ca -0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 1isr n LYS 154 Cb 0.42 -0.52 0.08 0.00 -0.02 0.00 0.00 35.03 34.98 1isr n LYS 154 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1isr s PRO 155 N -0.52 2.36 0.16 1.97 0.04 -1.26 -5.00 135.00 132.74 1isr s PRO 155 Ca 0.33 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 1isr s PRO 155 Cb -0.45 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 1isr s PRO 155 CO 0.30 -1.47 0.69 0.42 0.04 0.00 0.00 177.00 176.99 1isr s ILE 156 N -3.09 4.55 -0.04 0.56 -1.09 -1.26 -4.41 121.20 116.41 1isr s ILE 156 Ca 0.60 1.40 0.05 0.00 -2.23 0.00 0.00 60.65 60.47 1isr s ILE 156 Cb -0.15 -3.97 -0.24 0.00 -1.58 0.00 0.00 42.46 36.52 1isr s ILE 156 CO 0.55 0.42 0.67 0.00 -1.23 0.00 0.00 174.94 175.34 1isr h ALA 157 N 4.05 0.58 -1.84 9.38 0.00 -1.45 -3.50 119.26 126.48 1isr h ALA 157 Ca -0.48 -1.35 0.31 0.00 0.00 0.00 0.00 54.91 53.39 1isr h ALA 157 Cb 1.20 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1isr h ALA 157 CO 0.65 1.42 0.83 0.20 0.00 0.00 0.00 179.25 182.35 1isr s GLY 158 N -5.17 -0.25 -0.03 0.00 0.00 -1.26 -4.39 107.32 96.23 1isr s GLY 158 Ca -0.09 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.00 1isr s GLY 158 CO 0.82 2.48 -0.17 0.14 0.00 0.00 0.00 173.10 176.37 1isr s VAL 159 N -2.27 1.37 -0.29 1.40 1.01 -0.79 -1.54 120.40 119.29 1isr s VAL 159 Ca 0.21 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1isr s VAL 159 Cb 0.02 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1isr s VAL 159 CO -0.02 0.39 0.16 -0.63 0.00 0.00 0.00 175.10 175.00 1isr s ILE 160 N -0.17 4.80 0.00 2.22 -1.09 -0.65 -1.08 121.20 125.23 1isr s ILE 160 Ca 0.01 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1isr s ILE 160 Cb -0.09 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1isr s ILE 160 CO 0.01 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 1isr n GLY 161 N 5.01 -1.29 0.00 6.18 0.00 0.56 -1.38 105.19 114.27 1isr n GLY 161 Ca -0.14 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1isr n GLY 161 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1isr n PRO 162 N 0.00 1.49 -0.04 1.61 -0.04 -1.26 -4.56 135.00 132.19 1isr n PRO 162 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1isr n PRO 162 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1isr n PRO 162 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1isr h GLY 163 N 0.00 0.00 -1.26 0.55 0.00 -1.94 -3.42 103.07 97.00 1isr h GLY 163 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1isr h GLY 163 CO 0.00 0.00 0.27 -0.45 0.00 0.00 0.00 176.54 176.36 1isr s SER 164 N -4.74 3.75 -0.03 0.19 0.15 -1.26 -3.08 113.70 108.69 1isr s SER 164 Ca -0.04 1.87 -0.22 0.00 0.70 0.00 0.00 55.95 58.26 1isr s SER 164 Cb 0.01 -2.47 -0.27 0.00 -1.71 0.00 0.00 66.02 61.57 1isr s SER 164 CO 0.06 -2.52 0.99 0.28 1.20 0.00 0.00 173.24 173.25 1isr h SER 165 N -1.47 0.45 -0.69 5.45 0.02 -1.93 -1.79 113.55 113.59 1isr h SER 165 Ca -0.45 -0.86 0.01 0.00 -0.84 0.00 0.00 61.79 59.65 1isr h SER 165 Cb 1.25 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1isr h SER 165 CO 0.49 1.26 0.45 0.28 -1.14 0.00 0.00 176.83 178.18 1isr h SER 166 N -0.30 0.80 0.56 3.07 0.02 -1.93 0.32 113.55 116.08 1isr h SER 166 Ca -0.10 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 1isr h SER 166 Cb 1.42 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1isr h SER 166 CO 0.12 0.58 -0.75 0.58 -1.14 0.00 0.00 176.83 176.23 1isr h VAL 167 N 0.94 1.47 -0.37 2.27 2.07 -1.95 -2.91 116.25 117.77 1isr h VAL 167 Ca 0.25 -2.38 -0.14 0.00 0.82 0.00 0.00 66.70 65.25 1isr h VAL 167 Cb -0.10 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1isr h VAL 167 CO -0.05 0.69 -0.30 0.00 0.02 0.00 0.00 177.57 177.93 1isr h ALA 168 N 1.14 0.54 -0.77 1.67 0.00 -0.32 -2.40 119.26 119.12 1isr h ALA 168 Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1isr h ALA 168 Cb 1.31 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1isr h ALA 168 CO 0.11 0.58 0.41 0.82 0.00 0.00 0.00 179.25 181.16 1isr h ILE 169 N 0.67 1.24 0.83 0.00 2.04 -0.97 0.47 117.51 121.77 1isr h ILE 169 Ca 0.07 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1isr h ILE 169 Cb 0.88 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1isr h ILE 169 CO 0.08 0.27 -0.41 -0.61 0.00 0.00 0.00 178.15 177.48 1isr h GLN 170 N 1.07 -1.08 -0.64 2.37 5.75 -1.41 0.51 115.11 121.68 1isr h GLN 170 Ca 0.27 0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.91 1isr h GLN 170 Cb 0.06 0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 1isr h GLN 170 CO -0.04 -0.72 0.42 0.28 -2.65 0.00 0.00 178.83 176.12 1isr h VAL 171 N -1.12 0.98 -0.27 2.39 2.07 -1.32 -1.74 116.25 117.25 1isr h VAL 171 Ca -0.11 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1isr h VAL 171 Cb 0.87 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1isr h VAL 171 CO 0.18 0.11 -0.44 -0.61 0.02 0.00 0.00 177.57 176.83 1isr h GLN 172 N 0.60 0.67 0.00 1.57 5.75 -0.61 -1.66 115.11 121.43 1isr h GLN 172 Ca 0.28 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1isr h GLN 172 Cb 0.32 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1isr h GLN 172 CO -0.09 0.98 0.00 0.09 -2.65 0.00 0.00 178.83 177.16 1isr n ASN 173 N -4.02 0.55 -0.09 -0.69 5.03 0.14 -2.26 115.26 113.92 1isr n ASN 173 Ca -0.02 0.71 -0.18 0.00 0.87 0.00 0.00 54.58 55.96 1isr n ASN 173 Cb 0.55 -0.80 -0.06 0.00 -1.02 0.00 0.00 39.78 38.45 1isr n ASN 173 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1isr n LEU 174 N -2.19 1.70 -0.21 3.41 7.94 -1.08 -4.61 117.00 121.96 1isr n LEU 174 Ca -0.00 0.29 0.14 0.00 -1.11 0.00 0.00 56.01 55.33 1isr n LEU 174 Cb 0.10 -0.68 0.45 0.00 0.53 0.00 0.00 43.42 43.82 1isr n LEU 174 CO 0.12 0.13 1.21 -0.07 -1.11 0.00 0.00 177.39 177.68 1isr h LEU 175 N -0.83 0.50 -1.68 -1.96 3.38 -1.29 -0.21 115.31 113.23 1isr h LEU 175 Ca -0.34 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1isr h LEU 175 Cb 1.23 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1isr h LEU 175 CO -0.21 0.25 0.00 0.06 0.09 0.00 0.00 178.44 178.64 1isr h GLN 176 N 0.53 0.00 0.00 1.13 3.07 -1.71 -1.11 115.11 117.02 1isr h GLN 176 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 1isr h GLN 176 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.38 1isr h GLN 176 CO -0.16 0.00 -0.04 1.28 0.09 0.00 0.00 178.83 180.00 1isr n LEU 177 N -2.67 0.72 -0.04 0.06 4.77 -0.09 -3.31 117.00 116.43 1isr n LEU 177 Ca -0.01 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.55 1isr n LEU 177 Cb 0.15 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1isr n LEU 177 CO 0.19 -0.15 0.53 0.49 -1.33 0.00 0.00 177.39 177.12 1isr n PHE 178 N -2.16 0.02 -3.35 -1.77 3.01 -0.46 -5.03 117.46 107.72 1isr n PHE 178 Ca 0.06 -0.67 -0.13 0.00 1.01 0.00 0.00 57.45 57.71 1isr n PHE 178 Cb 0.42 -0.09 0.02 0.00 -0.01 0.00 0.00 39.48 39.82 1isr n PHE 178 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1isr n ASP 179 N -0.80 -6.60 -3.85 4.37 8.00 -0.96 -4.94 116.55 111.76 1isr n ASP 179 Ca 0.06 -0.52 -0.29 0.00 0.71 0.00 0.00 54.79 54.75 1isr n ASP 179 Cb 0.39 -4.22 -0.16 0.00 -0.02 0.00 0.00 41.12 37.11 1isr n ASP 179 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1isr s ILE 180 N -3.14 1.11 0.30 0.53 1.01 -1.09 -4.11 121.20 115.81 1isr s ILE 180 Ca 0.15 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1isr s ILE 180 Cb -0.04 -1.52 -0.12 0.00 0.01 0.00 0.00 42.46 40.79 1isr s ILE 180 CO 0.80 -0.21 1.44 -0.81 0.00 0.00 0.00 174.94 176.16 1isr n PRO 181 N 4.82 2.34 -4.76 2.79 -0.04 -1.26 -4.63 135.00 134.26 1isr n PRO 181 Ca -0.10 0.83 -0.30 0.00 -0.04 0.00 0.00 63.50 63.89 1isr n PRO 181 Cb 0.45 -2.51 -0.17 0.00 -0.04 0.00 0.00 33.50 31.23 1isr n PRO 181 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1isr s GLN 182 N -1.06 2.57 -0.14 0.54 0.74 0.22 -1.88 119.66 120.65 1isr s GLN 182 Ca 0.61 -0.70 0.02 0.00 0.05 0.00 0.00 55.36 55.35 1isr s GLN 182 Cb -0.56 -2.06 0.01 0.00 1.10 0.00 0.00 33.01 31.50 1isr s GLN 182 CO 0.55 0.04 -0.21 0.42 -0.55 0.00 0.00 175.29 175.54 1isr s ILE 183 N 0.70 1.97 0.38 -2.34 1.01 -0.24 -1.47 121.20 121.21 1isr s ILE 183 Ca -0.12 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.68 1isr s ILE 183 Cb -0.16 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 1isr s ILE 183 CO 0.02 0.53 0.50 0.00 0.00 0.00 0.00 174.94 175.99 1isr s ALA 184 N 0.89 4.33 0.00 9.38 0.00 -0.77 -0.32 121.76 135.27 1isr s ALA 184 Ca -0.06 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1isr s ALA 184 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1isr s ALA 184 CO -0.03 -0.17 0.00 2.48 0.00 0.00 0.00 175.76 178.04 1isr n TYR 185 N -1.71 0.00 0.00 0.00 0.18 -1.26 -2.95 117.16 111.42 1isr n TYR 185 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 1isr n TYR 185 Cb 0.59 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.55 1isr n TYR 185 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1isr n SER 186 N -0.62 0.38 -4.63 9.48 3.41 -1.26 -4.80 113.62 115.58 1isr n SER 186 Ca 0.00 -0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.08 1isr n SER 186 Cb 0.00 0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 1isr n SER 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1isr s ALA 187 N -0.36 3.28 -0.04 7.33 0.00 -1.18 -4.87 121.76 125.92 1isr s ALA 187 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1isr s ALA 187 Cb 0.00 -3.83 0.07 0.00 0.00 0.00 0.00 23.12 19.36 1isr s ALA 187 CO 0.00 -1.93 1.04 0.25 0.00 0.00 0.00 175.76 175.12 1isr n THR 188 N 6.40 1.21 -2.01 0.00 -2.24 -1.26 -4.90 114.28 111.48 1isr n THR 188 Ca 0.17 -1.30 -0.41 0.00 -2.27 0.00 0.00 64.05 60.25 1isr n THR 188 Cb 0.46 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1isr n THR 188 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1isr s SER 189 N -1.44 6.63 0.38 3.42 0.15 -1.26 -0.99 113.70 120.59 1isr s SER 189 Ca 0.08 2.80 0.09 0.00 0.70 0.00 0.00 55.95 59.62 1isr s SER 189 Cb 0.07 -2.65 0.77 0.00 -1.71 0.00 0.00 66.02 62.49 1isr s SER 189 CO 0.01 -0.65 1.90 0.40 1.20 0.00 0.00 173.24 176.10 1isr h ILE 190 N 3.05 1.19 -0.28 6.45 2.04 -1.92 -2.87 117.51 125.17 1isr h ILE 190 Ca -0.49 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 64.62 1isr h ILE 190 Cb 1.23 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1isr h ILE 190 CO 0.66 0.26 0.20 0.44 0.00 0.00 0.00 178.15 179.70 1isr h ASP 191 N 0.22 0.02 0.52 1.72 3.32 -1.94 -0.86 116.42 119.43 1isr h ASP 191 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1isr h ASP 191 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1isr h ASP 191 CO 0.02 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 1isr n LEU 192 N -4.46 0.00 0.15 1.55 4.77 -1.08 -2.60 117.00 115.33 1isr n LEU 192 Ca 0.04 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 1isr n LEU 192 Cb 0.34 -0.39 0.41 0.00 -2.33 0.00 0.00 43.42 41.45 1isr n LEU 192 CO 0.35 -0.13 0.88 0.28 -1.33 0.00 0.00 177.39 177.44 1isr h SER 193 N 0.00 0.00 -3.15 -1.43 0.02 -1.32 -3.43 113.55 104.23 1isr h SER 193 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1isr h SER 193 Cb 0.26 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1isr h SER 193 CO 0.00 0.00 1.06 -0.62 -1.14 0.00 0.00 176.83 176.13 1isr s ASP 194 N -4.86 6.41 0.00 3.07 3.68 -1.07 -4.81 116.67 119.09 1isr s ASP 194 Ca 0.08 1.04 0.29 0.00 2.13 0.00 0.00 52.55 56.09 1isr s ASP 194 Cb 0.10 -2.54 1.28 0.00 -1.45 0.00 0.00 42.92 40.31 1isr s ASP 194 CO 0.55 -1.33 1.88 0.29 0.13 0.00 0.00 175.17 176.69 1isr n LYS 195 N 7.84 1.24 0.12 4.34 4.76 -1.26 -2.35 118.16 132.85 1isr n LYS 195 Ca 0.17 -0.54 0.08 0.00 -2.87 0.00 0.00 58.31 55.14 1isr n LYS 195 Cb 0.47 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.20 1isr n LYS 195 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1isr h THR 196 N 1.32 0.25 0.00 -0.18 1.35 -1.98 -3.14 112.91 110.53 1isr h THR 196 Ca 0.00 -1.41 -0.29 0.00 -0.55 0.00 0.00 66.41 64.17 1isr h THR 196 Cb 0.35 1.88 -0.05 0.00 -1.73 0.00 0.00 68.15 68.60 1isr h THR 196 CO 0.00 0.14 -2.08 0.18 -0.25 0.00 0.00 175.52 173.51 1isr n LEU 197 N -2.91 1.20 -3.08 3.87 4.77 -1.23 -4.73 117.00 114.89 1isr n LEU 197 Ca -0.01 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 1isr n LEU 197 Cb 0.64 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1isr n LEU 197 CO 0.39 0.56 0.03 -1.22 -1.33 0.00 0.00 177.39 175.82 1isr n TYR 198 N -2.77 2.86 -0.05 -1.77 4.01 -0.99 -4.92 117.16 113.53 1isr n TYR 198 Ca -0.29 -3.96 0.10 0.00 -0.16 0.00 0.00 57.90 53.59 1isr n TYR 198 Cb 0.95 -0.48 0.49 0.00 -0.31 0.00 0.00 39.34 39.99 1isr n TYR 198 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1isr h LYS 199 N 3.22 0.41 -1.06 -0.72 3.64 -1.79 -2.72 116.57 117.56 1isr h LYS 199 Ca 0.13 -0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 58.99 1isr h LYS 199 Cb 0.65 -0.09 -0.26 0.00 -0.41 0.00 0.00 32.23 32.12 1isr h LYS 199 CO 0.73 0.27 0.64 0.66 -2.27 0.00 0.00 179.45 179.48 1isr n TYR 200 N -4.47 2.68 -5.08 1.91 4.02 -1.26 -4.93 117.16 110.03 1isr n TYR 200 Ca 0.08 -2.07 -0.28 0.00 -0.01 0.00 0.00 57.90 55.62 1isr n TYR 200 Cb 0.29 -1.03 -0.16 0.00 -0.02 0.00 0.00 39.34 38.42 1isr n TYR 200 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1isr s PHE 201 N -2.99 1.97 0.14 -0.72 5.36 -1.03 -0.61 117.98 120.09 1isr s PHE 201 Ca 0.51 -0.38 -0.17 0.00 -0.96 0.00 0.00 56.93 55.93 1isr s PHE 201 Cb 0.42 -1.27 0.04 0.00 -0.34 0.00 0.00 43.02 41.87 1isr s PHE 201 CO 0.05 -0.04 0.45 -0.48 -1.46 0.00 0.00 175.22 173.74 1isr s LEU 202 N -0.50 0.20 0.06 6.12 2.34 -0.54 -4.58 118.68 121.77 1isr s LEU 202 Ca 0.08 -0.28 -0.15 0.00 0.06 0.00 0.00 54.13 53.84 1isr s LEU 202 Cb -0.09 2.00 0.03 0.00 -0.56 0.00 0.00 46.19 47.57 1isr s LEU 202 CO -0.01 -0.89 0.35 0.00 -1.06 0.00 0.00 176.35 174.74 1isr s ARG 203 N -3.80 0.89 -0.14 1.48 1.70 0.12 -1.85 118.95 117.34 1isr s ARG 203 Ca 0.03 -0.52 0.09 0.00 -0.47 0.00 0.00 55.73 54.86 1isr s ARG 203 Cb 0.01 0.39 0.50 0.00 -0.57 0.00 0.00 34.95 35.28 1isr s ARG 203 CO -0.11 -0.30 1.27 1.33 -1.08 0.00 0.00 175.30 176.41 1isr n VAL 204 N 0.38 1.63 -4.10 4.99 0.24 -1.15 -3.33 118.33 116.98 1isr n VAL 204 Ca -0.18 -0.84 -0.14 0.00 -2.04 0.00 0.00 64.34 61.13 1isr n VAL 204 Cb 0.60 -0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.53 1isr n VAL 204 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1isr s VAL 205 N -2.04 0.57 0.45 3.34 -7.23 -1.26 -4.84 120.40 109.39 1isr s VAL 205 Ca 0.33 -0.90 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 1isr s VAL 205 Cb 0.25 -0.59 -0.10 0.00 0.56 0.00 0.00 36.38 36.50 1isr s VAL 205 CO 0.10 -0.25 0.99 -2.16 -0.31 0.00 0.00 175.10 173.48 1isr s PRO 206 N -1.25 4.05 1.07 4.82 0.04 -1.03 -3.62 135.00 139.09 1isr s PRO 206 Ca -0.06 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 1isr s PRO 206 Cb -0.08 -2.15 0.23 0.00 0.04 0.00 0.00 34.50 32.54 1isr s PRO 206 CO 0.00 -0.19 1.07 -1.54 0.04 0.00 0.00 177.00 176.38 1isr s SER 207 N -2.10 1.91 -0.01 6.66 1.04 -1.26 -4.81 113.70 115.14 1isr s SER 207 Ca 0.64 1.28 0.01 0.00 0.48 0.00 0.00 55.95 58.36 1isr s SER 207 Cb -0.12 -1.99 0.05 0.00 0.10 0.00 0.00 66.02 64.06 1isr s SER 207 CO 0.16 -3.59 0.80 0.47 0.98 0.00 0.00 173.24 172.06 1isr n ASP 208 N -4.49 0.81 0.20 7.02 8.00 -0.16 -3.65 116.55 124.29 1isr n ASP 208 Ca 0.04 -2.03 0.06 0.00 0.71 0.00 0.00 54.79 53.57 1isr n ASP 208 Cb 0.56 -0.29 0.43 0.00 -0.02 0.00 0.00 41.12 41.81 1isr n ASP 208 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1isr h THR 209 N 0.27 1.00 0.16 -3.53 2.02 -1.91 -2.00 112.91 108.91 1isr h THR 209 Ca 0.00 -1.19 -0.33 0.00 0.77 0.00 0.00 66.41 65.66 1isr h THR 209 Cb 0.35 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1isr h THR 209 CO 0.02 0.31 -1.67 -0.07 0.37 0.00 0.00 175.52 174.48 1isr h LEU 210 N 0.00 0.52 -0.42 2.58 3.38 -1.95 -3.24 115.31 116.18 1isr h LEU 210 Ca -0.00 -0.76 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 1isr h LEU 210 Cb 0.66 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1isr h LEU 210 CO 0.04 1.64 -0.08 -0.61 0.09 0.00 0.00 178.44 179.52 1isr h GLN 211 N 0.09 0.80 -0.83 1.13 4.15 -1.73 -0.27 115.11 118.45 1isr h GLN 211 Ca -0.31 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 58.80 1isr h GLN 211 Cb 2.07 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.67 1isr h GLN 211 CO 0.17 0.91 0.47 0.00 -1.93 0.00 0.00 178.83 178.46 1isr h ALA 212 N 0.86 1.26 -0.44 3.38 0.00 -1.53 0.13 119.26 122.92 1isr h ALA 212 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1isr h ALA 212 Cb 0.61 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1isr h ALA 212 CO 0.04 0.61 -0.09 -0.09 0.00 0.00 0.00 179.25 179.71 1isr h ARG 213 N 1.16 0.79 -0.21 0.00 9.65 -1.52 -2.31 114.38 121.94 1isr h ARG 213 Ca 0.30 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1isr h ARG 213 Cb 0.00 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1isr h ARG 213 CO -0.05 0.86 -0.06 0.00 2.80 0.00 0.00 179.97 183.51 1isr h ALA 214 N 1.17 0.30 -0.38 2.80 0.00 0.10 -2.48 119.26 120.77 1isr h ALA 214 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1isr h ALA 214 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1isr h ALA 214 CO 0.04 0.09 0.17 0.52 0.00 0.00 0.00 179.25 180.07 1isr h MET 215 N 0.14 0.53 -0.14 0.00 2.86 -0.67 -2.09 114.93 115.57 1isr h MET 215 Ca 0.05 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1isr h MET 215 Cb 0.53 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1isr h MET 215 CO 0.02 0.43 -0.61 1.25 1.06 0.00 0.00 176.91 179.06 1isr h LEU 216 N 0.53 0.54 -1.79 1.22 5.85 -1.33 -2.71 115.31 117.62 1isr h LEU 216 Ca 0.13 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1isr h LEU 216 Cb 0.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1isr h LEU 216 CO -0.02 1.02 -0.05 0.44 -0.34 0.00 0.00 178.44 179.50 1isr h ASP 217 N 0.35 0.00 0.64 1.25 3.32 -0.91 -1.42 116.42 119.64 1isr h ASP 217 Ca -0.01 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 1isr h ASP 217 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1isr h ASP 217 CO 0.11 0.05 -1.26 0.40 -1.72 0.00 0.00 179.24 176.82 1isr h ILE 218 N 0.00 1.47 -0.21 0.35 2.04 -1.15 -2.37 117.51 117.65 1isr h ILE 218 Ca -0.00 -3.06 -0.17 0.00 1.00 0.00 0.00 64.86 62.63 1isr h ILE 218 Cb 0.41 2.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1isr h ILE 218 CO 0.01 0.89 -0.58 0.58 0.00 0.00 0.00 178.15 179.05 1isr h VAL 219 N 0.07 1.31 0.00 1.67 2.07 -1.12 -2.84 116.25 117.40 1isr h VAL 219 Ca -0.14 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 1isr h VAL 219 Cb 1.97 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1isr h VAL 219 CO 0.19 0.57 -0.17 0.11 0.02 0.00 0.00 177.57 178.30 1isr h LYS 220 N 0.50 0.00 -0.38 1.57 1.57 -1.35 -2.07 116.57 116.40 1isr h LYS 220 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1isr h LYS 220 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1isr h LYS 220 CO 0.11 0.17 0.15 -0.09 -0.57 0.00 0.00 179.45 179.23 1isr h ARG 221 N 0.00 0.58 -0.53 3.15 9.65 -1.17 -3.07 114.38 122.99 1isr h ARG 221 Ca -0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1isr h ARG 221 Cb 0.86 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1isr h ARG 221 CO 0.02 0.55 0.00 0.66 2.80 0.00 0.00 179.97 184.01 1isr n TYR 222 N -4.66 1.81 -3.05 2.20 4.02 -1.20 -4.96 117.16 111.33 1isr n TYR 222 Ca -0.00 -0.74 -0.21 0.00 -0.01 0.00 0.00 57.90 56.93 1isr n TYR 222 Cb 0.15 -0.45 0.01 0.00 -0.02 0.00 0.00 39.34 39.03 1isr n TYR 222 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1isr n ASN 223 N 0.47 -4.93 -4.64 7.72 3.02 -1.16 -4.95 115.26 110.79 1isr n ASN 223 Ca 0.26 -0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.13 1isr n ASN 223 Cb 1.11 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.21 1isr n ASN 223 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1isr s TRP 224 N -3.01 3.25 -0.58 3.10 0.51 -0.79 -4.88 118.94 116.53 1isr s TRP 224 Ca 0.29 1.18 0.17 0.00 -2.12 0.00 0.00 56.10 55.62 1isr s TRP 224 Cb -0.14 -3.35 -0.20 0.00 -0.81 0.00 0.00 33.47 28.97 1isr s TRP 224 CO 0.36 -0.57 0.62 0.25 -0.51 0.00 0.00 176.95 177.09 1isr n THR 225 N 5.53 0.00 -3.87 2.01 -2.24 -1.26 -4.69 114.28 109.75 1isr n THR 225 Ca 0.09 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 1isr n THR 225 Cb 0.47 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.31 1isr n THR 225 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1isr s TYR 226 N -2.74 2.41 0.12 4.78 5.04 -1.26 -2.92 117.35 122.77 1isr s TYR 226 Ca 0.03 -2.01 0.05 0.00 -2.44 0.00 0.00 57.07 52.70 1isr s TYR 226 Cb 0.12 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.46 1isr s TYR 226 CO 0.69 -0.85 -0.12 0.14 -1.34 0.00 0.00 175.55 174.07 1isr s VAL 227 N 1.38 1.22 0.27 3.14 -7.23 -1.18 -4.48 120.40 113.52 1isr s VAL 227 Ca 0.04 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1isr s VAL 227 Cb -0.18 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1isr s VAL 227 CO -0.14 -0.51 0.43 -0.44 -0.31 0.00 0.00 175.10 174.13 1isr s SER 228 N -2.59 6.32 -0.05 4.85 0.01 -0.51 -0.74 113.70 120.99 1isr s SER 228 Ca 0.10 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.61 1isr s SER 228 Cb -0.03 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1isr s SER 228 CO 0.02 -0.14 -0.00 0.00 0.41 0.00 0.00 173.24 173.53 1isr s ALA 229 N -2.07 0.57 -0.02 1.44 0.00 -0.17 -1.75 121.76 119.76 1isr s ALA 229 Ca 0.37 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1isr s ALA 229 Cb -0.10 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1isr s ALA 229 CO 0.31 -0.30 -0.10 0.08 0.00 0.00 0.00 175.76 175.75 1isr s VAL 230 N 1.61 0.83 0.05 0.00 1.01 -0.50 -2.09 120.40 121.31 1isr s VAL 230 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1isr s VAL 230 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1isr s VAL 230 CO -0.03 0.25 -0.03 -1.38 0.00 0.00 0.00 175.10 173.90 1isr s HIS 231 N 0.04 0.51 0.22 5.22 -3.43 -1.13 -2.16 115.29 114.56 1isr s HIS 231 Ca -0.01 -0.95 -0.30 0.00 -0.80 0.00 0.00 55.06 53.01 1isr s HIS 231 Cb -0.07 -0.37 -0.08 0.00 -1.43 0.00 0.00 32.58 30.63 1isr s HIS 231 CO 0.00 -0.32 0.99 0.99 -2.00 0.00 0.00 174.74 174.41 1isr s THR 232 N -3.40 4.01 0.14 -5.38 2.01 -1.14 -2.83 115.64 109.05 1isr s THR 232 Ca 0.03 1.92 -0.31 0.00 0.31 0.00 0.00 61.69 63.64 1isr s THR 232 Cb 0.04 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1isr s THR 232 CO -0.08 0.42 1.72 -1.61 -0.69 0.00 0.00 174.62 174.38 1isr s GLU 233 N -0.95 4.16 0.00 4.92 0.41 -0.36 -3.76 118.70 123.12 1isr s GLU 233 Ca 0.44 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 57.50 1isr s GLU 233 Cb -0.27 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.71 1isr s GLU 233 CO 0.34 -0.75 0.00 0.41 -0.49 0.00 0.00 175.26 174.76 1isr n GLY 234 N 4.03 3.87 0.33 -1.39 0.00 -1.26 -4.80 105.19 105.96 1isr n GLY 234 Ca 0.16 -1.52 0.20 0.00 0.00 0.00 0.00 46.02 44.86 1isr n GLY 234 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1isr h ASN 235 N 0.00 0.00 0.14 1.61 -0.73 -1.94 -2.54 115.58 112.12 1isr h ASN 235 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1isr h ASN 235 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1isr h ASN 235 CO 0.00 0.00 -0.07 0.22 -0.37 0.00 0.00 177.43 177.21 1isr h TYR 236 N 0.00 -0.18 0.00 0.67 3.20 -1.91 -2.59 116.97 116.17 1isr h TYR 236 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1isr h TYR 236 Cb 0.09 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1isr h TYR 236 CO 0.00 -0.11 -0.05 0.78 -1.64 0.00 0.00 178.16 177.14 1isr h GLY 237 N -0.57 0.00 0.13 1.82 0.00 -1.64 -2.15 103.07 100.66 1isr h GLY 237 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1isr h GLY 237 CO 0.03 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 174.46 1isr h GLU 238 N 0.00 -0.07 -0.01 4.80 4.81 -1.59 -1.91 114.58 120.62 1isr h GLU 238 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1isr h GLU 238 Cb 0.09 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1isr h GLU 238 CO 0.01 0.48 0.01 1.03 -0.73 0.00 0.00 179.01 179.80 1isr h SER 239 N -0.94 0.00 0.24 1.04 0.87 -1.43 -0.86 113.55 112.48 1isr h SER 239 Ca -0.01 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 1isr h SER 239 Cb 0.57 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1isr h SER 239 CO 0.01 0.00 -1.62 1.23 -0.53 0.00 0.00 176.83 175.92 1isr h GLY 240 N 0.00 0.52 1.62 5.77 0.00 -1.45 -3.23 103.07 106.30 1isr h GLY 240 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 47.33 45.87 1isr h GLY 240 CO -0.00 1.17 -0.49 1.98 0.00 0.00 0.00 176.54 179.20 1isr h MET 241 N 0.12 0.40 -0.51 4.80 -1.53 -0.74 -2.43 114.93 115.06 1isr h MET 241 Ca -0.30 -0.23 -0.08 0.00 -3.44 0.00 0.00 59.70 55.66 1isr h MET 241 Cb 2.13 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 33.17 1isr h MET 241 CO 0.22 0.81 0.01 -0.44 0.14 0.00 0.00 176.91 177.65 1isr h ASP 242 N 0.32 0.82 0.52 1.39 3.32 -1.31 0.76 116.42 122.24 1isr h ASP 242 Ca 0.02 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 1isr h ASP 242 Cb 0.98 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1isr h ASP 242 CO 0.08 0.87 -0.46 0.00 -1.72 0.00 0.00 179.24 178.02 1isr h ALA 243 N 1.22 1.18 -0.01 3.45 0.00 -1.54 -1.71 119.26 121.85 1isr h ALA 243 Ca 0.15 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1isr h ALA 243 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1isr h ALA 243 CO 0.02 0.57 -0.08 0.35 0.00 0.00 0.00 179.25 180.11 1isr h PHE 244 N 0.00 0.11 0.00 0.00 3.57 -0.87 -2.89 116.94 116.87 1isr h PHE 244 Ca -0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1isr h PHE 244 Cb 0.84 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1isr h PHE 244 CO 0.00 0.75 -0.06 0.87 -2.23 0.00 0.00 178.31 177.64 1isr h LYS 245 N -0.56 0.00 -0.03 1.11 1.57 -0.81 0.17 116.57 118.01 1isr h LYS 245 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1isr h LYS 245 Cb 0.76 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.08 1isr h LYS 245 CO 0.02 0.06 -0.95 1.49 -0.57 0.00 0.00 179.45 179.49 1isr h GLU 246 N 0.00 0.61 0.00 3.15 4.81 -1.30 -2.22 114.58 119.63 1isr h GLU 246 Ca -0.00 -0.62 -0.08 0.00 -0.13 0.00 0.00 59.36 58.53 1isr h GLU 246 Cb 0.32 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1isr h GLU 246 CO 0.01 1.23 -0.41 -0.07 -0.73 0.00 0.00 179.01 179.03 1isr h LEU 247 N 0.36 0.00 -0.50 1.64 3.38 -1.16 -3.16 115.31 115.87 1isr h LEU 247 Ca -0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1isr h LEU 247 Cb 1.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1isr h LEU 247 CO 0.18 0.37 -0.68 0.00 0.09 0.00 0.00 178.44 178.40 1isr h ALA 248 N 1.63 0.77 -0.01 1.53 0.00 -0.64 -2.62 119.26 119.92 1isr h ALA 248 Ca -0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 54.08 1isr h ALA 248 Cb 1.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1isr h ALA 248 CO 0.05 0.86 -0.85 0.00 0.00 0.00 0.00 179.25 179.30 1isr h ALA 249 N 1.32 0.52 -0.07 0.00 0.00 -1.39 0.18 119.26 119.81 1isr h ALA 249 Ca -0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 1isr h ALA 249 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1isr h ALA 249 CO 0.09 0.86 -0.68 1.96 0.00 0.00 0.00 179.25 181.48 1isr h GLN 250 N 0.16 0.32 -0.00 0.00 4.20 -1.51 -3.11 115.11 115.16 1isr h GLN 250 Ca -0.05 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1isr h GLN 250 Cb 1.47 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1isr h GLN 250 CO 0.14 0.88 -0.15 0.39 -0.67 0.00 0.00 178.83 179.42 1isr n GLU 251 N -3.84 0.39 -1.65 1.46 -0.58 -0.99 -4.92 120.64 110.51 1isr n GLU 251 Ca -0.03 -0.12 -0.04 0.00 -0.42 0.00 0.00 57.16 56.55 1isr n GLU 251 Cb 0.67 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.04 1isr n GLU 251 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1isr n GLY 252 N 1.37 0.41 3.72 0.62 0.00 -0.99 -5.01 105.19 105.31 1isr n GLY 252 Ca 0.11 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1isr n GLY 252 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1isr s LEU 253 N -0.95 4.30 -0.10 0.99 2.96 0.61 -5.03 118.68 121.45 1isr s LEU 253 Ca 0.00 1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.76 1isr s LEU 253 Cb 0.00 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 1isr s LEU 253 CO 0.00 -0.06 0.43 0.00 -1.32 0.00 0.00 176.35 175.40 1isr s ILE 255 N 0.31 5.02 0.00 0.00 -1.09 -1.26 -3.12 121.20 121.06 1isr s ILE 255 Ca 0.24 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 1isr s ILE 255 Cb -0.15 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1isr s ILE 255 CO 0.10 -0.12 0.14 0.00 -1.23 0.00 0.00 174.94 173.83 1isr n ALA 256 N 5.70 0.00 -2.67 9.38 0.00 0.08 -4.89 120.51 128.12 1isr n ALA 256 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1isr n ALA 256 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1isr n ALA 256 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1isr s HIS 257 N -0.28 2.97 -0.01 0.00 5.65 -1.26 -5.01 115.29 117.34 1isr s HIS 257 Ca 0.00 -0.04 0.07 0.00 0.25 0.00 0.00 55.06 55.34 1isr s HIS 257 Cb 0.00 -1.76 -0.02 0.00 -1.18 0.00 0.00 32.58 29.62 1isr s HIS 257 CO 0.00 0.27 -0.23 0.45 -0.65 0.00 0.00 174.74 174.58 1isr s SER 258 N -0.59 2.70 0.25 9.88 0.15 -1.26 -1.00 113.70 123.83 1isr s SER 258 Ca 0.09 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 56.09 1isr s SER 258 Cb -0.12 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 1isr s SER 258 CO 0.02 0.27 0.68 -0.62 1.20 0.00 0.00 173.24 174.79 1isr s ASP 259 N -0.66 -0.31 0.05 5.45 -1.08 -0.89 -5.01 116.67 114.22 1isr s ASP 259 Ca 0.09 -0.51 -0.11 0.00 -0.52 0.00 0.00 52.55 51.50 1isr s ASP 259 Cb -0.09 0.69 0.01 0.00 -1.46 0.00 0.00 42.92 42.07 1isr s ASP 259 CO -0.00 -1.26 0.23 -1.59 0.52 0.00 0.00 175.17 173.06 1isr s LYS 260 N -3.89 0.76 -0.20 4.34 -2.85 -1.26 -2.84 119.74 113.80 1isr s LYS 260 Ca 0.10 -0.66 -0.28 0.00 -1.00 0.00 0.00 55.97 54.13 1isr s LYS 260 Cb -0.05 0.32 0.11 0.00 -2.06 0.00 0.00 37.83 36.15 1isr s LYS 260 CO 0.03 -0.23 0.94 -1.50 0.10 0.00 0.00 175.35 174.69 1isr s ILE 261 N -2.84 0.00 1.12 3.79 2.07 -1.13 -4.92 121.20 119.29 1isr s ILE 261 Ca -0.03 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.05 1isr s ILE 261 Cb 0.00 -1.00 0.25 0.00 0.13 0.00 0.00 42.46 41.84 1isr s ILE 261 CO -0.05 0.00 1.09 -0.31 -1.91 0.00 0.00 174.94 173.76 1isr s TYR 262 N -0.48 1.24 -0.47 3.50 1.51 -1.26 -1.23 117.35 120.15 1isr s TYR 262 Ca -0.01 0.74 0.23 0.00 -1.01 0.00 0.00 57.07 57.02 1isr s TYR 262 Cb -0.03 -3.34 0.04 0.00 -0.11 0.00 0.00 41.96 38.53 1isr s TYR 262 CO -0.00 -3.48 1.02 0.43 -1.11 0.00 0.00 175.55 172.41 1isr n SER 263 N -4.54 0.62 -0.75 2.29 7.64 -1.26 -4.12 113.62 113.51 1isr n SER 263 Ca 0.09 -0.02 0.07 0.00 1.01 0.00 0.00 58.87 60.02 1isr n SER 263 Cb 0.58 0.74 0.19 0.00 -1.01 0.00 0.00 64.21 64.71 1isr n SER 263 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1isr n ASN 264 N -2.18 3.27 -4.74 6.43 6.94 -1.26 -4.69 115.26 119.04 1isr n ASN 264 Ca 0.01 -2.32 -0.33 0.00 -0.02 0.00 0.00 54.58 51.92 1isr n ASN 264 Cb 0.48 -0.34 0.08 0.00 -2.36 0.00 0.00 39.78 37.64 1isr n ASN 264 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isr s ALA 265 N -1.57 2.19 0.91 -2.53 0.00 -1.26 -4.58 121.76 114.92 1isr s ALA 265 Ca 0.30 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1isr s ALA 265 Cb 0.19 -3.40 0.14 0.00 0.00 0.00 0.00 23.12 20.05 1isr s ALA 265 CO 0.14 -1.74 1.10 0.20 0.00 0.00 0.00 175.76 175.46 1isr s GLY 266 N -2.37 1.65 0.48 0.00 0.00 -1.26 -4.88 107.32 100.93 1isr s GLY 266 Ca 0.70 0.26 0.14 0.00 0.00 0.00 0.00 44.72 45.82 1isr s GLY 266 CO 0.46 0.72 2.08 0.83 0.00 0.00 0.00 173.10 177.19 1isr h GLU 267 N -1.71 0.22 -0.35 2.90 5.08 -1.98 -0.75 114.58 117.98 1isr h GLU 267 Ca -0.47 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1isr h GLU 267 Cb 1.27 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1isr h GLU 267 CO 0.48 0.14 0.14 0.87 -1.00 0.00 0.00 179.01 179.64 1isr h LYS 268 N 0.22 0.50 -0.28 2.33 1.79 -1.99 0.14 116.57 119.28 1isr h LYS 268 Ca 0.11 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1isr h LYS 268 Cb 0.16 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1isr h LYS 268 CO -0.02 0.42 -0.16 0.77 -1.08 0.00 0.00 179.45 179.38 1isr h SER 269 N 0.50 0.47 1.30 0.86 0.02 -1.47 -1.39 113.55 113.84 1isr h SER 269 Ca 0.12 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1isr h SER 269 Cb 0.11 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1isr h SER 269 CO -0.01 0.66 -0.72 -0.26 -1.14 0.00 0.00 176.83 175.36 1isr h PHE 270 N 0.44 0.00 -0.42 3.45 -1.00 -1.17 -1.96 116.94 116.28 1isr h PHE 270 Ca 0.08 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.77 1isr h PHE 270 Cb 0.54 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 1isr h PHE 270 CO 0.02 0.62 -0.09 -0.44 -1.61 0.00 0.00 178.31 176.81 1isr h ASP 271 N 0.00 0.81 -0.05 2.17 3.32 -0.28 0.18 116.42 122.57 1isr h ASP 271 Ca -0.03 -0.35 -0.16 0.00 0.02 0.00 0.00 57.03 56.51 1isr h ASP 271 Cb 1.49 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1isr h ASP 271 CO 0.08 0.97 -0.51 -0.09 -1.72 0.00 0.00 179.24 177.97 1isr h ARG 272 N 0.63 0.62 -0.06 3.56 2.43 -1.29 -1.76 114.38 118.51 1isr h ARG 272 Ca 0.11 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1isr h ARG 272 Cb 0.61 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1isr h ARG 272 CO 0.04 0.99 0.01 1.25 -1.51 0.00 0.00 179.97 180.75 1isr h LEU 273 N 0.49 0.10 -0.98 3.80 5.85 -1.13 -1.91 115.31 121.53 1isr h LEU 273 Ca 0.02 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1isr h LEU 273 Cb 1.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1isr h LEU 273 CO 0.10 0.33 0.41 0.25 -0.34 0.00 0.00 178.44 179.19 1isr h LEU 274 N -0.14 1.02 -0.47 2.25 5.85 -0.62 -2.74 115.31 120.47 1isr h LEU 274 Ca 0.02 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1isr h LEU 274 Cb 0.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1isr h LEU 274 CO 0.00 0.84 0.12 -0.09 -0.34 0.00 0.00 178.44 178.98 1isr h ARG 275 N 1.14 0.75 0.00 1.25 2.43 -1.21 -2.09 114.38 116.64 1isr h ARG 275 Ca 0.28 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1isr h ARG 275 Cb 0.07 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1isr h ARG 275 CO -0.04 0.73 -0.03 0.87 -1.51 0.00 0.00 179.97 179.99 1isr h LYS 276 N 0.63 0.00 0.16 0.20 1.57 -1.09 -2.37 116.57 115.67 1isr h LYS 276 Ca 0.15 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.60 1isr h LYS 276 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1isr h LYS 276 CO 0.00 0.03 -1.60 -0.07 -0.57 0.00 0.00 179.45 177.24 1isr h LEU 277 N 0.00 0.54 -1.21 2.94 3.38 -1.16 -3.33 115.31 116.46 1isr h LEU 277 Ca -0.00 -0.73 -0.07 0.00 0.09 0.00 0.00 57.88 57.17 1isr h LEU 277 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1isr h LEU 277 CO 0.00 1.61 -0.33 0.03 0.09 0.00 0.00 178.44 179.84 1isr h ARG 278 N 0.09 0.00 0.00 1.13 3.08 -0.94 -2.80 114.38 114.94 1isr h ARG 278 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1isr h ARG 278 Cb 2.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.11 1isr h ARG 278 CO 0.18 0.33 -0.08 0.93 -1.07 0.00 0.00 179.97 180.27 1isr h GLU 279 N 0.00 0.00 -0.01 0.04 5.08 -1.55 -2.08 114.58 116.06 1isr h GLU 279 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1isr h GLU 279 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1isr h GLU 279 CO 0.04 0.08 -0.15 0.54 -1.00 0.00 0.00 179.01 178.52 1isr n ARG 280 N -3.33 0.93 -1.29 2.33 5.12 -1.06 -4.90 116.66 114.46 1isr n ARG 280 Ca -0.01 -0.45 -0.31 0.00 -1.93 0.00 0.00 57.85 55.15 1isr n ARG 280 Cb 0.26 -1.49 0.09 0.00 -1.16 0.00 0.00 32.46 30.15 1isr n ARG 280 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1isr s LEU 281 N -2.38 3.02 0.00 0.55 1.43 -0.78 -2.29 118.68 118.22 1isr s LEU 281 Ca 0.29 1.79 0.26 0.00 -1.03 0.00 0.00 54.13 55.44 1isr s LEU 281 Cb 0.20 -4.50 0.59 0.00 0.03 0.00 0.00 46.19 42.51 1isr s LEU 281 CO 0.46 -1.99 1.47 -0.81 0.23 0.00 0.00 176.35 175.71 1isr n PRO 282 N -3.49 1.51 0.18 1.29 -0.04 -1.26 -4.79 135.00 128.39 1isr n PRO 282 Ca 0.09 -1.06 0.02 0.00 -0.04 0.00 0.00 63.50 62.50 1isr n PRO 282 Cb 0.53 -1.48 0.34 0.00 -0.04 0.00 0.00 33.50 32.86 1isr n PRO 282 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1isr h LYS 283 N 2.60 0.02 -3.43 0.54 3.64 -1.98 -3.34 116.57 114.62 1isr h LYS 283 Ca 0.00 -0.01 -0.73 0.00 -1.27 0.00 0.00 60.65 58.64 1isr h LYS 283 Cb 0.66 -0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.15 1isr h LYS 283 CO 0.00 0.39 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 1isr s ALA 284 N -4.19 4.27 -0.23 5.00 0.00 -0.97 -4.81 121.76 120.83 1isr s ALA 284 Ca -0.03 -3.74 -0.17 0.00 0.00 0.00 0.00 51.96 48.02 1isr s ALA 284 Cb 0.14 -3.01 -0.17 0.00 0.00 0.00 0.00 23.12 20.08 1isr s ALA 284 CO 0.73 -2.16 0.01 -2.13 0.00 0.00 0.00 175.76 172.21 1isr n ARG 285 N 2.65 0.59 -2.04 0.00 0.63 -1.26 -4.41 116.66 112.82 1isr n ARG 285 Ca 0.20 0.42 -0.42 0.00 -0.92 0.00 0.00 57.85 57.13 1isr n ARG 285 Cb 0.38 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 1isr n ARG 285 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1isr s VAL 286 N -2.44 2.99 -0.14 5.15 1.01 -1.26 -2.06 120.40 123.66 1isr s VAL 286 Ca -0.32 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1isr s VAL 286 Cb 0.09 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1isr s VAL 286 CO 0.57 0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.89 1isr s VAL 287 N 1.32 1.53 -0.21 2.92 1.01 -0.19 -1.42 120.40 125.36 1isr s VAL 287 Ca 0.68 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1isr s VAL 287 Cb -0.40 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1isr s VAL 287 CO 0.31 0.45 0.36 -0.69 0.00 0.00 0.00 175.10 175.53 1isr s VAL 288 N 1.42 5.22 -0.36 2.92 1.01 -0.72 -0.59 120.40 129.31 1isr s VAL 288 Ca 0.03 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1isr s VAL 288 Cb -0.13 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1isr s VAL 288 CO -0.09 0.26 0.09 0.00 0.00 0.00 0.00 175.10 175.36 1isr n PHE 290 N 4.19 3.80 -4.33 0.00 7.35 -0.92 -1.66 117.46 125.89 1isr n PHE 290 Ca 0.03 -2.95 -0.20 0.00 -0.76 0.00 0.00 57.45 53.56 1isr n PHE 290 Cb 0.41 -2.34 -0.11 0.00 0.35 0.00 0.00 39.48 37.79 1isr n PHE 290 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1isr s GLU 292 N -3.01 1.19 0.07 0.00 2.02 -1.26 -3.84 118.70 113.86 1isr s GLU 292 Ca 0.17 0.41 -0.23 0.00 0.02 0.00 0.00 54.97 55.34 1isr s GLU 292 Cb -0.04 -1.83 -0.15 0.00 0.10 0.00 0.00 34.13 32.20 1isr s GLU 292 CO 0.06 -2.19 1.64 0.78 0.02 0.00 0.00 175.26 175.58 1isr h GLY 293 N -1.50 0.03 2.00 -1.39 0.00 -1.86 -2.66 103.07 97.69 1isr h GLY 293 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1isr h GLY 293 CO 0.60 0.01 0.00 -0.33 0.00 0.00 0.00 176.54 176.83 1isr h MET 294 N -0.08 0.00 0.21 4.80 2.86 -1.93 -0.02 114.93 120.77 1isr h MET 294 Ca 0.01 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.33 1isr h MET 294 Cb 0.11 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.79 1isr h MET 294 CO -0.00 0.00 -1.43 1.15 1.06 0.00 0.00 176.91 177.69 1isr h THR 295 N 0.00 1.32 -0.05 2.22 2.02 -1.76 -2.55 112.91 114.11 1isr h THR 295 Ca 0.00 -2.81 -0.14 0.00 0.77 0.00 0.00 66.41 64.23 1isr h THR 295 Cb 0.11 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1isr h THR 295 CO 0.00 0.84 -0.61 0.58 0.37 0.00 0.00 175.52 176.70 1isr h VAL 296 N 0.12 1.40 -0.39 3.16 2.07 -0.94 -2.65 116.25 119.02 1isr h VAL 296 Ca -0.22 -2.03 -0.11 0.00 0.82 0.00 0.00 66.70 65.16 1isr h VAL 296 Cb 2.10 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.90 1isr h VAL 296 CO 0.24 0.59 -0.19 -0.09 0.02 0.00 0.00 177.57 178.14 1isr h ARG 297 N 0.14 0.82 -0.58 1.57 2.43 -1.09 -1.89 114.38 115.78 1isr h ARG 297 Ca -0.01 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 1isr h ARG 297 Cb 1.12 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1isr h ARG 297 CO 0.09 0.99 0.19 0.78 -1.51 0.00 0.00 179.97 180.51 1isr h GLY 298 N 0.62 0.93 0.95 2.80 0.00 -1.36 0.59 103.07 107.60 1isr h GLY 298 Ca 0.09 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1isr h GLY 298 CO 0.06 0.48 -0.02 -2.00 0.00 0.00 0.00 176.54 175.05 1isr h LEU 299 N 0.85 0.69 -1.42 3.11 5.85 -1.30 -1.56 115.31 121.54 1isr h LEU 299 Ca 0.19 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1isr h LEU 299 Cb 0.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1isr h LEU 299 CO -0.01 0.85 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.61 1isr h LEU 300 N 0.52 0.00 -0.78 2.25 3.38 -1.00 -1.51 115.31 118.17 1isr h LEU 300 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1isr h LEU 300 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1isr h LEU 300 CO 0.02 0.26 -0.61 -1.28 0.09 0.00 0.00 178.44 176.92 1isr h SER 301 N 0.00 0.00 0.97 -0.43 0.87 -0.35 -2.78 113.55 111.83 1isr h SER 301 Ca -0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1isr h SER 301 Cb 0.60 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1isr h SER 301 CO 0.03 0.61 -1.05 0.00 -0.53 0.00 0.00 176.83 175.89 1isr h ALA 302 N 1.39 0.42 0.00 6.23 0.00 -0.56 -2.77 119.26 123.96 1isr h ALA 302 Ca -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 1isr h ALA 302 Cb 1.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1isr h ALA 302 CO 0.08 1.25 -0.10 0.52 0.00 0.00 0.00 179.25 181.00 1isr h MET 303 N 0.00 0.00 0.00 0.00 2.07 -1.11 -2.36 114.93 113.53 1isr h MET 303 Ca -0.04 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.53 1isr h MET 303 Cb 1.77 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.49 1isr h MET 303 CO 0.12 0.10 -0.35 -0.09 1.07 0.00 0.00 176.91 177.77 1isr h ARG 304 N 0.00 0.00 0.00 1.72 9.65 -1.41 -1.86 114.38 122.47 1isr h ARG 304 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1isr h ARG 304 Cb 0.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1isr h ARG 304 CO 0.01 0.94 0.00 0.00 2.80 0.00 0.00 179.97 183.72 1isr h ARG 305 N -1.00 0.00 0.00 0.20 3.08 -1.37 -2.65 114.38 112.64 1isr h ARG 305 Ca -0.09 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.59 1isr h ARG 305 Cb 1.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.01 1isr h ARG 305 CO -0.06 0.00 -2.38 -0.11 -1.07 0.00 0.00 179.97 176.36 1isr n LEU 306 N -2.74 0.33 -0.16 3.04 7.94 -0.90 -5.03 117.00 119.48 1isr n LEU 306 Ca -0.02 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1isr n LEU 306 Cb 0.10 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1isr n LEU 306 CO 0.18 0.54 0.00 0.61 -1.11 0.00 0.00 177.39 177.61 1isr n GLY 307 N 1.80 1.05 3.40 -3.96 0.00 -1.00 -5.09 105.19 101.38 1isr n GLY 307 Ca -0.34 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1isr n GLY 307 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1isr s VAL 308 N -2.32 3.07 -0.02 1.61 -7.23 -0.73 -5.06 120.40 109.71 1isr s VAL 308 Ca 0.00 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1isr s VAL 308 Cb 0.00 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1isr s VAL 308 CO 0.00 0.54 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.61 1isr s VAL 309 N 0.07 0.31 -1.50 1.32 1.01 -1.26 -4.68 120.40 115.67 1isr s VAL 309 Ca -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1isr s VAL 309 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1isr s VAL 309 CO 0.04 0.14 0.54 0.61 0.00 0.00 0.00 175.10 176.43 1isr n GLY 310 N 3.59 -0.46 0.02 4.51 0.00 -1.26 -4.91 105.19 106.68 1isr n GLY 310 Ca -0.20 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1isr n GLY 310 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1isr n GLU 311 N -3.80 0.24 -4.37 1.61 1.02 -1.26 -4.98 120.64 109.10 1isr n GLU 311 Ca -0.12 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.80 1isr n GLU 311 Cb 0.62 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.39 1isr n GLU 311 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1isr s PHE 312 N -3.18 1.74 -0.51 -0.32 0.08 -1.26 -4.78 117.98 109.75 1isr s PHE 312 Ca 0.04 -0.81 0.04 0.00 0.12 0.00 0.00 56.93 56.32 1isr s PHE 312 Cb 0.15 -0.99 0.13 0.00 -0.57 0.00 0.00 43.02 41.74 1isr s PHE 312 CO 0.83 0.12 0.26 -1.12 -0.10 0.00 0.00 175.22 175.21 1isr s SER 313 N -3.37 4.20 0.07 1.36 0.01 -0.87 -4.97 113.70 110.14 1isr s SER 313 Ca 0.28 -2.97 -0.30 0.00 1.31 0.00 0.00 55.95 54.27 1isr s SER 313 Cb 0.05 -1.53 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 1isr s SER 313 CO 0.10 -0.23 1.09 -0.76 0.41 0.00 0.00 173.24 173.84 1isr s LEU 314 N -0.21 4.41 -0.31 2.44 1.43 -1.26 -1.02 118.68 124.16 1isr s LEU 314 Ca 0.17 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1isr s LEU 314 Cb -0.25 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.48 1isr s LEU 314 CO -0.00 -0.31 0.07 -0.63 0.23 0.00 0.00 176.35 175.71 1isr s ILE 315 N 0.66 1.26 0.32 -0.59 1.01 0.25 -1.81 121.20 122.28 1isr s ILE 315 Ca 0.53 -1.59 0.07 0.00 0.00 0.00 0.00 60.65 59.67 1isr s ILE 315 Cb -0.26 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1isr s ILE 315 CO 0.30 -0.60 0.37 -0.83 0.00 0.00 0.00 174.94 174.18 1isr s GLY 316 N 1.43 1.61 0.06 6.18 0.00 -0.97 -0.58 107.32 115.06 1isr s GLY 316 Ca 0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 1isr s GLY 316 CO -0.19 -1.44 0.08 -1.14 0.00 0.00 0.00 173.10 170.40 1isr n SER 317 N -1.48 0.03 0.09 1.64 3.41 -0.67 -2.23 113.62 114.41 1isr n SER 317 Ca -0.02 -1.04 0.06 0.00 -0.26 0.00 0.00 58.87 57.61 1isr n SER 317 Cb 0.59 -0.06 0.32 0.00 -0.26 0.00 0.00 64.21 64.80 1isr n SER 317 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1isr n ASP 318 N -3.04 0.31 0.26 4.04 5.75 -1.25 -1.27 116.55 121.35 1isr n ASP 318 Ca 0.01 0.64 0.12 0.00 -0.01 0.00 0.00 54.79 55.55 1isr n ASP 318 Cb 0.04 -0.68 0.71 0.00 -1.03 0.00 0.00 41.12 40.16 1isr n ASP 318 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1isr h GLY 319 N 0.11 0.00 0.00 6.12 0.00 -1.86 -3.21 103.07 104.22 1isr h GLY 319 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1isr h GLY 319 CO 0.00 0.00 -0.31 1.87 0.00 0.00 0.00 176.54 178.10 1isr n TRP 320 N -3.77 0.50 -3.17 5.60 -0.00 -0.40 -2.46 117.44 113.74 1isr n TRP 320 Ca -0.02 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.70 1isr n TRP 320 Cb 0.22 -0.53 0.00 0.00 -0.00 0.00 0.00 31.31 31.00 1isr n TRP 320 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1isr n ALA 321 N -3.08 0.00 -0.58 5.87 0.00 -1.19 -2.62 120.51 118.91 1isr n ALA 321 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1isr n ALA 321 Cb 0.16 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.95 1isr n ALA 321 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1isr n ASP 322 N -3.03 4.96 -4.72 0.00 5.75 -1.26 -4.86 116.55 113.39 1isr n ASP 322 Ca 0.00 -2.77 -0.42 0.00 -0.01 0.00 0.00 54.79 51.59 1isr n ASP 322 Cb 0.00 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.41 1isr n ASP 322 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1isr s ARG 323 N -2.45 4.14 0.22 0.11 0.52 -1.08 -4.90 118.95 115.51 1isr s ARG 323 Ca 0.46 2.58 0.23 0.00 -0.52 0.00 0.00 55.73 58.48 1isr s ARG 323 Cb 0.35 -3.10 0.12 0.00 0.52 0.00 0.00 34.95 32.83 1isr s ARG 323 CO 0.14 -0.74 1.18 -0.44 0.02 0.00 0.00 175.30 175.46 1isr h ASP 324 N 6.86 0.00 1.22 0.23 3.32 -1.93 -3.34 116.42 122.79 1isr h ASP 324 Ca -0.43 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1isr h ASP 324 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1isr h ASP 324 CO 0.95 0.02 0.00 1.05 -1.72 0.00 0.00 179.24 179.54 1isr h GLU 325 N 0.00 0.00 0.04 3.56 4.11 -1.97 -2.43 114.58 117.89 1isr h GLU 325 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1isr h GLU 325 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1isr h GLU 325 CO 0.00 0.00 -0.36 0.28 0.07 0.00 0.00 179.01 179.00 1isr h VAL 326 N 0.00 1.59 -0.21 -1.06 2.07 -1.92 -3.34 116.25 113.38 1isr h VAL 326 Ca 0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1isr h VAL 326 Cb 0.61 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1isr h VAL 326 CO 0.00 0.61 0.00 2.30 0.02 0.00 0.00 177.57 180.50 1isr n ILE 327 N -4.41 0.26 -1.64 4.57 -5.35 -1.23 -4.54 119.36 107.01 1isr n ILE 327 Ca -0.11 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.41 1isr n ILE 327 Cb 0.59 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 1isr n ILE 327 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1isr n GLU 328 N 0.99 2.52 0.00 6.28 0.00 -0.92 -1.20 120.64 128.32 1isr n GLU 328 Ca 0.17 0.88 0.00 0.00 0.00 0.00 0.00 57.16 58.21 1isr n GLU 328 Cb 0.50 -3.01 0.00 0.00 0.00 0.00 0.00 31.44 28.93 1isr n GLU 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1isr n GLY 329 N 4.88 3.30 2.26 8.31 0.00 -1.26 -4.88 105.19 117.81 1isr n GLY 329 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1isr n GLY 329 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1isr n TYR 330 N -1.24 2.76 -0.35 1.61 4.02 -0.34 -4.84 117.16 118.79 1isr n TYR 330 Ca 0.00 -2.52 -0.02 0.00 -0.01 0.00 0.00 57.90 55.34 1isr n TYR 330 Cb 0.00 -0.25 0.10 0.00 -0.02 0.00 0.00 39.34 39.17 1isr n TYR 330 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1isr h GLU 331 N 2.38 1.22 0.44 -0.72 3.07 -1.87 -2.69 114.58 116.41 1isr h GLU 331 Ca 0.28 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1isr h GLU 331 Cb 1.31 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1isr h GLU 331 CO 0.73 0.81 -0.34 0.28 -1.40 0.00 0.00 179.01 179.09 1isr h VAL 332 N 1.25 0.00 0.00 3.13 2.07 -1.91 -0.05 116.25 120.75 1isr h VAL 332 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1isr h VAL 332 Cb -0.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 1isr h VAL 332 CO -0.08 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.67 1isr n GLU 333 N -4.44 0.50 -0.00 1.57 0.00 -1.22 -2.37 120.64 114.68 1isr n GLU 333 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.11 1isr n GLU 333 Cb 0.32 -1.32 -0.05 0.00 0.00 0.00 0.00 31.44 30.39 1isr n GLU 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1isr n ALA 334 N -0.82 2.69 -1.69 -1.84 0.00 -0.89 -4.84 120.51 113.11 1isr n ALA 334 Ca 0.08 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1isr n ALA 334 Cb 0.04 -0.27 0.06 0.00 0.00 0.00 0.00 19.45 19.27 1isr n ALA 334 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1isr s ASN 335 N -2.24 4.75 0.00 0.00 2.47 -0.08 -3.31 114.94 116.53 1isr s ASN 335 Ca 0.00 2.51 0.00 0.00 0.42 0.00 0.00 52.86 55.79 1isr s ASN 335 Cb 0.05 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1isr s ASN 335 CO 0.32 -1.90 0.00 0.61 -3.72 0.00 0.00 177.10 172.41 1isr n GLY 336 N 0.69 0.54 3.88 1.21 0.00 -0.41 -4.96 105.19 106.15 1isr n GLY 336 Ca 0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1isr n GLY 336 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1isr s GLY 337 N -2.35 2.21 -0.12 -0.02 0.00 -1.21 -4.67 107.32 101.16 1isr s GLY 337 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.45 1isr s GLY 337 CO 0.00 -0.16 -0.21 -0.42 0.00 0.00 0.00 173.10 172.31 1isr s ILE 338 N -1.88 1.95 0.43 0.90 1.01 -0.75 -0.80 121.20 122.06 1isr s ILE 338 Ca 0.47 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1isr s ILE 338 Cb -0.11 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1isr s ILE 338 CO 0.23 0.53 0.06 0.42 0.00 0.00 0.00 174.94 176.18 1isr s THR 339 N 0.68 1.03 0.12 2.92 -4.23 0.09 -2.28 115.64 113.97 1isr s THR 339 Ca -0.11 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1isr s THR 339 Cb -0.16 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1isr s THR 339 CO 0.02 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.30 1isr s ILE 340 N -3.06 2.88 -0.23 2.99 -1.09 -0.95 -1.83 121.20 119.91 1isr s ILE 340 Ca 0.21 -1.52 -0.12 0.00 -2.23 0.00 0.00 60.65 56.99 1isr s ILE 340 Cb 0.04 -2.33 0.08 0.00 -1.58 0.00 0.00 42.46 38.67 1isr s ILE 340 CO 0.11 0.08 0.55 -0.75 -1.23 0.00 0.00 174.94 173.70 1isr s LYS 341 N -2.21 0.53 0.07 2.79 2.20 -0.90 -3.31 119.74 118.91 1isr s LYS 341 Ca 0.19 1.08 -0.31 0.00 -0.36 0.00 0.00 55.97 56.57 1isr s LYS 341 Cb -0.10 0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 36.34 1isr s LYS 341 CO 0.11 -0.17 1.53 -0.51 -0.36 0.00 0.00 175.35 175.95 1isr s LEU 342 N 1.84 4.35 -0.22 5.43 1.02 -1.26 -0.05 118.68 129.79 1isr s LEU 342 Ca -0.08 2.38 -0.30 0.00 0.02 0.00 0.00 54.13 56.14 1isr s LEU 342 Cb -0.08 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.49 1isr s LEU 342 CO -0.16 -0.80 2.18 1.67 0.02 0.00 0.00 176.35 179.26 1isr n GLN 343 N 5.07 1.86 -3.37 1.70 7.27 -0.53 -4.84 117.38 124.54 1isr n GLN 343 Ca 0.14 0.54 -0.14 0.00 0.07 0.00 0.00 57.00 57.61 1isr n GLN 343 Cb 0.41 -3.04 -0.08 0.00 2.41 0.00 0.00 30.24 29.94 1isr n GLN 343 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1isr s SER 344 N 7.64 1.07 0.33 1.69 0.15 -1.26 -4.87 113.70 118.45 1isr s SER 344 Ca 1.01 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 1isr s SER 344 Cb -0.46 0.76 -0.11 0.00 -1.71 0.00 0.00 66.02 64.49 1isr s SER 344 CO 0.39 -0.36 1.53 -0.81 1.20 0.00 0.00 173.24 175.19 1isr n PRO 345 N 5.33 2.65 -1.81 5.44 -0.04 -1.26 -4.89 135.00 140.42 1isr n PRO 345 Ca -0.02 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 1isr n PRO 345 Cb 0.48 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 31.23 1isr n PRO 345 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1isr s GLU 346 N -1.28 4.16 -0.23 0.54 2.02 -1.26 -4.63 118.70 118.01 1isr s GLU 346 Ca 0.59 2.47 -0.28 0.00 0.02 0.00 0.00 54.97 57.76 1isr s GLU 346 Cb -0.49 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 1isr s GLU 346 CO 0.56 -0.82 1.95 0.08 0.02 0.00 0.00 175.26 177.04 1isr s VAL 347 N 3.12 3.29 0.29 2.63 1.01 -1.26 -4.87 120.40 124.61 1isr s VAL 347 Ca 0.79 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1isr s VAL 347 Cb -0.42 -3.35 0.18 0.00 0.00 0.00 0.00 36.38 32.79 1isr s VAL 347 CO 0.35 -0.20 1.87 0.08 0.00 0.00 0.00 175.10 177.20 1isr h ARG 348 N 13.15 0.85 -0.54 2.72 -0.00 -1.97 -3.17 114.38 125.41 1isr h ARG 348 Ca -0.38 -0.14 -0.02 0.00 -0.00 0.00 0.00 59.98 59.44 1isr h ARG 348 Cb 1.20 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 31.00 1isr h ARG 348 CO 0.99 0.71 0.24 1.03 -0.00 0.00 0.00 179.97 182.94 1isr h SER 349 N 0.83 0.73 -0.77 0.08 0.87 -1.98 -3.24 113.55 110.07 1isr h SER 349 Ca 0.20 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1isr h SER 349 Cb 0.19 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1isr h SER 349 CO -0.01 0.67 0.51 0.15 -0.53 0.00 0.00 176.83 177.62 1isr h PHE 350 N 0.73 0.96 -0.43 2.24 3.57 -1.96 -2.65 116.94 119.40 1isr h PHE 350 Ca 0.18 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.81 1isr h PHE 350 Cb 0.15 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1isr h PHE 350 CO 0.00 0.60 0.31 -0.44 -2.23 0.00 0.00 178.31 176.54 1isr h ASP 351 N 1.03 0.09 0.67 0.41 3.45 -1.66 0.11 116.42 120.52 1isr h ASP 351 Ca 0.29 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.58 1isr h ASP 351 Cb -0.10 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1isr h ASP 351 CO -0.07 0.05 -0.77 0.44 -1.57 0.00 0.00 179.24 177.32 1isr h ASP 352 N 0.10 0.10 0.00 6.45 3.32 -1.58 -2.95 116.42 121.85 1isr h ASP 352 Ca 0.20 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1isr h ASP 352 Cb 0.68 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1isr h ASP 352 CO -0.02 0.83 -0.26 0.22 -1.72 0.00 0.00 179.24 178.28 1isr h TYR 353 N 0.05 0.00 0.32 4.55 3.20 -1.21 -3.35 116.97 120.52 1isr h TYR 353 Ca -0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1isr h TYR 353 Cb 1.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1isr h TYR 353 CO 0.01 0.90 -0.17 0.35 -1.64 0.00 0.00 178.16 177.61 1isr h PHE 354 N -1.00 -0.44 0.00 -3.82 3.57 -1.16 -2.97 116.94 111.12 1isr h PHE 354 Ca -0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1isr h PHE 354 Cb 0.88 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1isr h PHE 354 CO 0.18 -0.27 0.00 -0.07 -2.23 0.00 0.00 178.31 175.92 1isr h LEU 355 N -0.45 0.00 -0.99 0.59 3.38 -1.73 -1.78 115.31 114.33 1isr h LEU 355 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1isr h LEU 355 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1isr h LEU 355 CO 0.06 0.00 -0.19 0.29 0.09 0.00 0.00 178.44 178.69 1isr n LYS 356 N -2.77 1.41 -1.88 1.13 5.02 -1.13 -4.69 118.16 115.25 1isr n LYS 356 Ca -0.02 -0.99 -0.35 0.00 -2.02 0.00 0.00 58.31 54.93 1isr n LYS 356 Cb 0.07 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1isr n LYS 356 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1isr s LEU 357 N -2.27 3.54 0.02 -0.35 1.43 -0.67 -5.06 118.68 115.32 1isr s LEU 357 Ca 0.27 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1isr s LEU 357 Cb 0.20 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 1isr s LEU 357 CO 0.44 -1.64 -0.05 -0.13 0.23 0.00 0.00 176.35 175.20 1isr s ARG 358 N -3.66 0.38 0.66 1.70 0.52 -1.26 -4.96 118.95 112.33 1isr s ARG 358 Ca 0.73 -0.44 0.44 0.00 -0.52 0.00 0.00 55.73 55.94 1isr s ARG 358 Cb -0.26 -0.22 2.40 0.00 0.52 0.00 0.00 34.95 37.40 1isr s ARG 358 CO 0.36 0.05 2.36 1.25 0.02 0.00 0.00 175.30 179.34 1isr h LEU 359 N 5.25 0.00 0.00 2.53 5.85 -1.91 -1.54 115.31 125.49 1isr h LEU 359 Ca -0.31 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.11 1isr h LEU 359 Cb 1.20 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1isr h LEU 359 CO 0.45 0.00 -1.88 0.47 -0.34 0.00 0.00 178.44 177.15 1isr n ASP 360 N -3.07 0.63 -0.05 1.25 8.00 -1.26 -4.50 116.55 117.56 1isr n ASP 360 Ca -0.03 0.30 -0.08 0.00 0.71 0.00 0.00 54.79 55.69 1isr n ASP 360 Cb 0.08 0.25 -0.15 0.00 -0.02 0.00 0.00 41.12 41.28 1isr n ASP 360 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1isr n THR 361 N -2.95 1.46 -2.35 -3.53 -2.24 -1.03 -4.82 114.28 98.81 1isr n THR 361 Ca -0.21 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 1isr n THR 361 Cb 1.07 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1isr n THR 361 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1isr s ASN 362 N -5.77 6.21 0.00 3.42 3.84 -0.61 -4.78 114.94 117.25 1isr s ASN 362 Ca -0.07 0.60 0.00 0.00 0.21 0.00 0.00 52.86 53.60 1isr s ASN 362 Cb 0.07 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1isr s ASN 362 CO 0.83 -1.58 0.00 0.35 -2.79 0.00 0.00 177.10 173.91 1isr n THR 363 N 7.01 0.00 0.50 -5.21 -2.24 -1.26 -4.69 114.28 108.39 1isr n THR 363 Ca 0.15 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1isr n THR 363 Cb 0.49 0.73 0.30 0.00 -2.10 0.00 0.00 70.33 69.75 1isr n THR 363 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1isr h ARG 364 N 0.00 0.00 -4.21 -0.78 0.11 -1.94 -3.40 114.38 104.16 1isr h ARG 364 Ca 0.00 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 59.34 1isr h ARG 364 Cb 0.00 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 30.83 1isr h ARG 364 CO 0.00 0.00 -0.30 1.21 0.10 0.00 0.00 179.97 180.98 1isr s ASN 365 N -4.97 6.03 0.33 0.08 3.84 -1.26 -4.37 114.94 114.62 1isr s ASN 365 Ca 0.09 -1.69 0.01 0.00 0.21 0.00 0.00 52.86 51.47 1isr s ASN 365 Cb 0.10 -2.14 0.57 0.00 -0.55 0.00 0.00 41.25 39.23 1isr s ASN 365 CO 0.64 -0.75 1.98 1.55 -2.79 0.00 0.00 177.10 177.73 1isr h PRO 366 N 8.73 0.88 0.00 0.43 0.13 -1.88 -2.75 132.00 137.54 1isr h PRO 366 Ca -0.27 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1isr h PRO 366 Cb 1.10 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1isr h PRO 366 CO 0.95 0.61 0.00 0.91 -0.23 0.00 0.00 178.00 180.23 1isr n TRP 367 N -4.42 0.00 0.01 1.56 8.01 -1.26 -4.10 117.44 117.25 1isr n TRP 367 Ca 0.07 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.14 1isr n TRP 367 Cb 0.06 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.28 1isr n TRP 367 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 1isr h PHE 368 N 0.00 0.03 -0.57 -5.99 3.57 -1.88 -2.13 116.94 109.98 1isr h PHE 368 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1isr h PHE 368 Cb 0.00 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 1isr h PHE 368 CO 0.00 0.19 0.12 -1.35 -2.23 0.00 0.00 178.31 175.04 1isr h PRO 369 N -0.14 0.25 -0.88 6.41 0.11 -1.82 0.19 132.00 136.12 1isr h PRO 369 Ca 0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1isr h PRO 369 Cb 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 1isr h PRO 369 CO -0.00 0.16 0.51 1.49 -0.21 0.00 0.00 178.00 179.95 1isr h GLU 370 N 0.26 1.21 0.27 1.05 4.81 -1.82 -2.83 114.58 117.53 1isr h GLU 370 Ca 0.29 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1isr h GLU 370 Cb 0.42 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1isr h GLU 370 CO -0.37 0.86 -0.13 0.35 -0.73 0.00 0.00 179.01 178.99 1isr h PHE 371 N 1.22 -0.34 -0.82 0.92 3.57 -0.35 -3.00 116.94 118.13 1isr h PHE 371 Ca 0.31 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.96 1isr h PHE 371 Cb -0.02 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 38.73 1isr h PHE 371 CO 0.01 -0.07 0.38 2.35 -2.23 0.00 0.00 178.31 178.74 1isr h TRP 372 N -0.57 0.65 0.60 0.41 2.91 -0.58 0.33 115.95 119.70 1isr h TRP 372 Ca -0.04 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1isr h TRP 372 Cb 0.42 -0.16 0.01 0.00 -0.51 0.00 0.00 29.16 28.91 1isr h TRP 372 CO -0.00 0.10 -0.29 1.96 -1.03 0.00 0.00 178.44 179.17 1isr h GLN 373 N 0.52 -0.78 0.00 2.65 4.20 -1.50 -2.15 115.11 118.04 1isr h GLN 373 Ca 0.46 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.20 1isr h GLN 373 Cb 0.72 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1isr h GLN 373 CO -0.41 -0.50 -0.14 1.25 -0.67 0.00 0.00 178.83 178.37 1isr h HIS 374 N -0.89 0.00 -0.41 2.96 2.76 -1.32 0.23 115.15 118.48 1isr h HIS 374 Ca -0.08 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.93 1isr h HIS 374 Cb 0.65 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 1isr h HIS 374 CO -0.02 0.14 -0.35 -0.09 -1.30 0.00 0.00 177.93 176.31 1isr h ARG 375 N 0.00 0.96 -0.09 5.26 9.65 -0.08 -3.30 114.38 126.77 1isr h ARG 375 Ca -0.00 -0.48 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1isr h ARG 375 Cb 0.39 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1isr h ARG 375 CO 0.02 1.15 0.00 1.19 2.80 0.00 0.00 179.97 185.12 1isr n PHE 376 N -4.07 0.19 -3.55 2.20 3.01 -0.83 -5.02 117.46 109.39 1isr n PHE 376 Ca -0.02 -0.67 -0.24 0.00 1.01 0.00 0.00 57.45 57.53 1isr n PHE 376 Cb 0.53 -0.10 0.04 0.00 -0.01 0.00 0.00 39.48 39.93 1isr n PHE 376 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1isr n GLN 377 N -0.56 -1.38 -4.03 -1.08 6.02 0.72 -5.02 117.38 112.05 1isr n GLN 377 Ca 0.09 0.70 -0.10 0.00 -0.01 0.00 0.00 57.00 57.68 1isr n GLN 377 Cb 0.46 -4.36 -0.07 0.00 1.02 0.00 0.00 30.24 27.29 1isr n GLN 377 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1isr s ARG 379 N -4.03 1.26 -0.47 0.00 1.70 -0.84 -4.48 118.95 112.09 1isr s ARG 379 Ca 0.24 -1.31 -0.16 0.00 -0.47 0.00 0.00 55.73 54.04 1isr s ARG 379 Cb 0.02 -1.52 0.07 0.00 -0.57 0.00 0.00 34.95 32.95 1isr s ARG 379 CO 0.06 0.34 0.40 -0.51 -1.08 0.00 0.00 175.30 174.51 1isr s LEU 380 N -2.23 5.54 0.20 -1.89 1.43 -1.26 -2.64 118.68 117.82 1isr s LEU 380 Ca 0.12 -1.26 -0.33 0.00 -1.03 0.00 0.00 54.13 51.63 1isr s LEU 380 Cb -0.09 -2.19 -0.14 0.00 0.03 0.00 0.00 46.19 43.80 1isr s LEU 380 CO 0.06 -0.64 1.44 -2.65 0.23 0.00 0.00 176.35 174.79 1isr n PRO 381 N 5.24 1.95 0.00 1.29 -0.02 -1.26 -2.32 135.00 139.88 1isr n PRO 381 Ca -0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1isr n PRO 381 Cb 0.44 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1isr n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1isr n GLY 382 N 2.59 1.36 3.76 -1.23 0.00 -1.26 -4.95 105.19 105.45 1isr n GLY 382 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1isr n GLY 382 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1isr s HIS 383 N -0.94 2.47 0.17 1.61 5.04 -0.98 -4.93 115.29 117.72 1isr s HIS 383 Ca 0.00 1.47 -0.13 0.00 -1.54 0.00 0.00 55.06 54.86 1isr s HIS 383 Cb 0.00 -3.57 0.07 0.00 0.04 0.00 0.00 32.58 29.12 1isr s HIS 383 CO 0.00 -2.29 1.80 1.25 -2.34 0.00 0.00 174.74 173.15 1isr h LEU 384 N 1.37 0.69 -3.04 8.88 6.46 -1.92 -2.43 115.31 125.31 1isr h LEU 384 Ca -0.50 -0.07 -0.24 0.00 -0.12 0.00 0.00 57.88 56.94 1isr h LEU 384 Cb 1.29 -0.17 -0.12 0.00 -0.73 0.00 0.00 40.66 40.92 1isr h LEU 384 CO 0.57 0.56 0.31 0.18 -0.62 0.00 0.00 178.44 179.44 1isr n LEU 385 N -4.63 5.19 -4.66 2.25 4.77 -1.26 -4.93 117.00 113.73 1isr n LEU 385 Ca 0.03 -2.67 -0.42 0.00 -0.03 0.00 0.00 56.01 52.93 1isr n LEU 385 Cb 0.07 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1isr n LEU 385 CO 0.36 0.90 1.53 -0.70 -1.33 0.00 0.00 177.39 178.16 1isr s GLU 386 N -1.44 4.15 -0.27 3.23 2.12 -0.92 -4.78 118.70 120.79 1isr s GLU 386 Ca 0.25 2.48 -0.29 0.00 0.36 0.00 0.00 54.97 57.77 1isr s GLU 386 Cb 0.20 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 30.49 1isr s GLU 386 CO 0.03 -0.93 1.13 1.21 -0.54 0.00 0.00 175.26 176.15 1isr s ASN 387 N 4.14 6.95 -0.30 -1.70 3.84 -1.26 -4.94 114.94 121.67 1isr s ASN 387 Ca 0.84 1.26 0.00 0.00 0.21 0.00 0.00 52.86 55.18 1isr s ASN 387 Cb -0.40 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.04 1isr s ASN 387 CO 0.38 -0.83 1.78 -0.81 -2.79 0.00 0.00 177.10 174.83 1isr n PRO 388 N 6.74 1.78 0.00 0.43 -0.04 -1.26 -3.80 135.00 138.84 1isr n PRO 388 Ca 0.13 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1isr n PRO 388 Cb 0.46 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1isr n PRO 388 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1isr n ASN 389 N -0.02 0.00 -4.40 3.54 3.02 -1.26 -5.02 115.26 111.12 1isr n ASN 389 Ca 0.32 -0.45 -0.21 0.00 -0.03 0.00 0.00 54.58 54.21 1isr n ASN 389 Cb 0.81 0.89 -0.10 0.00 -0.61 0.00 0.00 39.78 40.77 1isr n ASN 389 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1isr s PHE 390 N -0.89 1.98 0.00 3.10 0.40 -1.25 -5.07 117.98 116.26 1isr s PHE 390 Ca 0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1isr s PHE 390 Cb 0.00 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1isr s PHE 390 CO 0.00 0.51 0.00 1.63 0.70 0.00 0.00 175.22 178.06 1isr n LYS 391 N -0.36 3.30 -2.59 0.44 4.76 -1.26 -4.75 118.16 117.70 1isr n LYS 391 Ca -0.08 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 1isr n LYS 391 Cb 0.60 -0.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.78 1isr n LYS 391 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1isr s LYS 392 N -1.90 4.69 0.20 1.97 2.20 -1.26 -4.85 119.74 120.78 1isr s LYS 392 Ca 0.00 1.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 1isr s LYS 392 Cb 0.00 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.97 1isr s LYS 392 CO 0.00 0.25 1.02 0.08 -0.36 0.00 0.00 175.35 176.34 1isr s VAL 393 N -0.71 4.00 0.18 4.02 1.01 -1.26 -2.00 120.40 125.64 1isr s VAL 393 Ca 0.46 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.96 1isr s VAL 393 Cb -0.28 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 1isr s VAL 393 CO 0.35 0.36 1.51 0.00 0.00 0.00 0.00 175.10 177.32 1isr h THR 395 N 3.95 1.39 0.00 0.00 1.35 -1.95 -3.48 112.91 114.17 1isr h THR 395 Ca -0.43 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 1isr h THR 395 Cb 1.21 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 1isr h THR 395 CO 0.87 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 177.56 1isr n GLY 396 N 1.36 0.76 0.09 5.82 0.00 -1.26 -4.92 105.19 107.04 1isr n GLY 396 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1isr n GLY 396 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1isr n ASN 397 N 0.00 1.68 -4.76 1.61 3.02 -1.26 -4.69 115.26 110.86 1isr n ASN 397 Ca 0.00 -2.31 -0.36 0.00 -0.03 0.00 0.00 54.58 51.88 1isr n ASN 397 Cb 0.00 -0.19 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1isr n ASN 397 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1isr s GLU 398 N -1.51 3.25 -0.18 3.52 8.01 -1.26 -5.00 118.70 125.53 1isr s GLU 398 Ca 0.13 1.77 -0.15 0.00 0.01 0.00 0.00 54.97 56.73 1isr s GLU 398 Cb 0.11 -2.06 -0.04 0.00 -4.31 0.00 0.00 34.13 27.83 1isr s GLU 398 CO 0.01 -0.97 0.33 0.45 0.01 0.00 0.00 175.26 175.09 1isr s SER 399 N -1.57 6.43 0.00 -0.19 0.15 -1.26 -4.94 113.70 112.32 1isr s SER 399 Ca 0.73 0.50 0.21 0.00 0.70 0.00 0.00 55.95 58.10 1isr s SER 399 Cb -0.29 -2.20 1.02 0.00 -1.71 0.00 0.00 66.02 62.85 1isr s SER 399 CO 0.32 0.03 1.68 0.18 1.20 0.00 0.00 173.24 176.66 1isr n LEU 400 N 3.91 0.00 0.23 3.45 4.77 -1.26 -3.11 117.00 124.99 1isr n LEU 400 Ca -0.11 0.36 0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1isr n LEU 400 Cb 0.52 -0.36 0.55 0.00 -2.33 0.00 0.00 43.42 41.80 1isr n LEU 400 CO 0.40 -0.10 0.85 -0.33 -1.33 0.00 0.00 177.39 176.88 1isr h GLU 401 N 0.00 0.00 -6.50 3.23 5.08 -1.92 -3.39 114.58 111.08 1isr h GLU 401 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1isr h GLU 401 Cb 0.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1isr h GLU 401 CO 0.00 0.22 0.74 -1.83 -1.00 0.00 0.00 179.01 177.14 1isr s GLU 402 N -4.00 4.32 -1.46 2.33 -1.05 -1.18 -2.92 118.70 114.74 1isr s GLU 402 Ca -0.02 2.03 -0.11 0.00 -0.15 0.00 0.00 54.97 56.73 1isr s GLU 402 Cb 0.12 -3.34 0.06 0.00 -0.44 0.00 0.00 34.13 30.53 1isr s GLU 402 CO 0.64 -0.46 0.78 0.09 0.95 0.00 0.00 175.26 177.25 1isr n ASN 403 N 4.32 -4.86 -4.72 0.83 3.02 -1.26 -4.94 115.26 107.66 1isr n ASN 403 Ca 0.12 -0.55 -0.39 0.00 -0.03 0.00 0.00 54.58 53.73 1isr n ASN 403 Cb 0.43 -3.92 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 1isr n ASN 403 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1isr s TYR 404 N -3.17 3.53 -0.04 3.10 5.04 -1.15 -5.06 117.35 119.62 1isr s TYR 404 Ca 0.51 1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 56.18 1isr s TYR 404 Cb -0.26 -2.67 0.03 0.00 0.35 0.00 0.00 41.96 39.41 1isr s TYR 404 CO 0.63 0.12 0.04 0.08 -1.34 0.00 0.00 175.55 175.08 1isr s VAL 405 N 0.76 0.02 0.50 3.14 1.01 -1.26 -5.10 120.40 119.47 1isr s VAL 405 Ca 0.31 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 1isr s VAL 405 Cb -0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 1isr s VAL 405 CO 0.14 0.17 1.12 -1.58 0.00 0.00 0.00 175.10 174.94 1isr s GLN 406 N 1.72 3.59 0.17 2.72 0.74 -1.26 -4.89 119.66 122.45 1isr s GLN 406 Ca -0.00 1.60 -0.33 0.00 0.05 0.00 0.00 55.36 56.67 1isr s GLN 406 Cb -0.13 -2.15 -0.13 0.00 1.10 0.00 0.00 33.01 31.71 1isr s GLN 406 CO -0.03 -0.65 1.67 -3.47 -0.55 0.00 0.00 175.29 172.26 1isr n ASP 407 N -0.96 3.60 -0.12 6.67 4.64 -1.26 -4.87 116.55 124.25 1isr n ASP 407 Ca 0.10 1.06 0.07 0.00 -1.38 0.00 0.00 54.79 54.64 1isr n ASP 407 Cb 0.50 -1.50 0.40 0.00 -1.04 0.00 0.00 41.12 39.48 1isr n ASP 407 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1isr h SER 408 N 6.61 0.55 -0.62 1.67 0.02 -1.92 -1.85 113.55 118.00 1isr h SER 408 Ca -0.44 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.38 1isr h SER 408 Cb 1.23 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.57 1isr h SER 408 CO 0.93 0.36 0.15 0.29 -1.14 0.00 0.00 176.83 177.42 1isr n LYS 409 N -4.48 3.87 -0.05 3.45 5.02 -1.26 -4.58 118.16 120.14 1isr n LYS 409 Ca 0.09 -3.09 0.11 0.00 -2.02 0.00 0.00 58.31 53.40 1isr n LYS 409 Cb 0.23 -2.17 0.51 0.00 -0.02 0.00 0.00 35.03 33.58 1isr n LYS 409 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1isr h MET 410 N 2.85 0.37 -0.70 1.97 4.05 -1.70 -1.93 114.93 119.83 1isr h MET 410 Ca 0.16 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1isr h MET 410 Cb 2.12 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.80 1isr h MET 410 CO 0.60 0.24 0.15 0.78 0.23 0.00 0.00 176.91 178.92 1isr h GLY 411 N 0.38 1.23 1.87 1.39 0.00 -1.82 -2.87 103.07 103.24 1isr h GLY 411 Ca 0.24 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1isr h GLY 411 CO -0.06 0.73 -0.60 0.74 0.00 0.00 0.00 176.54 177.34 1isr h PHE 412 N 1.07 0.18 -0.36 5.60 0.04 -1.70 -2.58 116.94 119.18 1isr h PHE 412 Ca 0.22 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 1isr h PHE 412 Cb 0.40 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1isr h PHE 412 CO 0.03 0.70 0.09 0.28 -0.60 0.00 0.00 178.31 178.81 1isr h VAL 413 N 0.10 1.17 0.00 -0.55 2.07 -1.25 -1.84 116.25 115.96 1isr h VAL 413 Ca -0.01 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1isr h VAL 413 Cb 1.09 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1isr h VAL 413 CO 0.09 0.22 -0.04 0.40 0.02 0.00 0.00 177.57 178.26 1isr h ILE 414 N 0.52 1.68 0.00 4.57 2.04 -1.34 -3.27 117.51 121.71 1isr h ILE 414 Ca 0.12 -2.04 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1isr h ILE 414 Cb 0.21 3.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1isr h ILE 414 CO -0.00 0.53 -0.06 0.78 0.00 0.00 0.00 178.15 179.41 1isr h ASN 415 N -0.83 0.00 0.50 1.72 2.35 -1.41 0.37 115.58 118.28 1isr h ASN 415 Ca -0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1isr h ASN 415 Cb 0.90 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1isr h ASN 415 CO 0.01 0.06 -0.46 0.00 -1.65 0.00 0.00 177.43 175.39 1isr h ALA 416 N 1.94 1.20 0.10 -0.83 0.00 -1.41 0.11 119.26 120.38 1isr h ALA 416 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1isr h ALA 416 Cb 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1isr h ALA 416 CO 0.01 0.57 -1.01 0.82 0.00 0.00 0.00 179.25 179.64 1isr h ILE 417 N 0.00 1.37 -0.01 0.00 2.04 -1.01 -3.14 117.51 116.76 1isr h ILE 417 Ca -0.00 -2.40 -0.08 0.00 1.00 0.00 0.00 64.86 63.38 1isr h ILE 417 Cb 0.83 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 1isr h ILE 417 CO 0.06 0.71 -0.37 1.88 0.00 0.00 0.00 178.15 180.43 1isr h TYR 418 N 0.03 0.02 0.00 1.37 -1.99 -1.09 -1.64 116.97 113.68 1isr h TYR 418 Ca -0.16 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 1isr h TYR 418 Cb 1.73 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.45 1isr h TYR 418 CO 0.14 0.38 -0.20 0.00 -0.00 0.00 0.00 178.16 178.49 1isr h ALA 419 N 1.62 1.20 0.00 3.88 0.00 -0.81 -1.01 119.26 124.13 1isr h ALA 419 Ca -0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1isr h ALA 419 Cb 0.66 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1isr h ALA 419 CO 0.05 0.25 -1.22 1.98 0.00 0.00 0.00 179.25 180.30 1isr h MET 420 N 0.00 0.00 0.07 0.00 1.85 -1.28 -3.07 114.93 112.50 1isr h MET 420 Ca -0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1isr h MET 420 Cb 0.53 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1isr h MET 420 CO 0.03 0.59 -0.03 0.00 -0.40 0.00 0.00 176.91 177.09 1isr h ALA 421 N 1.19 -0.09 0.00 0.39 0.00 -0.67 -3.04 119.26 117.04 1isr h ALA 421 Ca -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1isr h ALA 421 Cb 1.73 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1isr h ALA 421 CO 0.08 -0.22 -0.13 0.45 0.00 0.00 0.00 179.25 179.43 1isr h HIS 422 N -0.75 0.00 -0.44 0.00 3.86 -1.36 -1.58 115.15 114.88 1isr h HIS 422 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1isr h HIS 422 Cb 0.60 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1isr h HIS 422 CO 0.13 0.13 0.13 0.78 0.86 0.00 0.00 177.93 179.96 1isr h GLY 423 N 0.73 0.74 2.00 2.45 0.00 -1.54 -0.91 103.07 106.53 1isr h GLY 423 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1isr h GLY 423 CO 0.02 0.41 0.00 1.41 0.00 0.00 0.00 176.54 178.38 1isr h LEU 424 N 0.57 0.00 0.11 3.11 3.38 -1.28 -2.88 115.31 118.33 1isr h LEU 424 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1isr h LEU 424 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1isr h LEU 424 CO -0.00 0.00 -0.05 -0.61 0.09 0.00 0.00 178.44 177.86 1isr h GLN 425 N 0.00 -0.14 -0.03 1.13 5.75 -0.37 -2.59 115.11 118.85 1isr h GLN 425 Ca 0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1isr h GLN 425 Cb 0.60 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 1isr h GLN 425 CO 0.00 0.20 -0.03 -0.91 -2.65 0.00 0.00 178.83 175.44 1isr h ASN 426 N -0.98 0.03 0.39 -0.69 2.35 -1.25 -0.92 115.58 114.50 1isr h ASN 426 Ca -0.02 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 1isr h ASN 426 Cb 0.41 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1isr h ASN 426 CO 0.03 0.07 -0.59 -0.03 -1.65 0.00 0.00 177.43 175.25 1isr h MET 427 N 0.04 0.20 -0.09 0.81 4.05 -1.59 -2.66 114.93 115.69 1isr h MET 427 Ca 0.01 -0.14 -0.20 0.00 -0.28 0.00 0.00 59.70 59.09 1isr h MET 427 Cb 0.07 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1isr h MET 427 CO 0.00 0.73 -0.77 1.25 0.23 0.00 0.00 176.91 178.36 1isr h HIS 428 N 0.15 0.70 0.00 1.39 -0.00 -0.78 0.25 115.15 116.86 1isr h HIS 428 Ca -0.00 -0.32 -0.02 0.00 -0.00 0.00 0.00 60.37 60.03 1isr h HIS 428 Cb 1.08 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.38 1isr h HIS 428 CO 0.02 1.10 -0.11 0.45 -0.00 0.00 0.00 177.93 179.39 1isr h HIS 429 N 0.34 0.00 0.02 5.26 -0.00 -1.25 -1.32 115.15 118.20 1isr h HIS 429 Ca -0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 60.37 59.94 1isr h HIS 429 Cb 1.36 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.72 1isr h HIS 429 CO 0.06 0.11 -2.25 0.00 -0.00 0.00 0.00 177.93 175.85 1isr n ALA 430 N -2.16 1.17 -0.00 2.45 0.00 -1.01 -4.17 120.51 116.78 1isr n ALA 430 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 1isr n ALA 430 Cb 0.36 -0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.52 1isr n ALA 430 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1isr h LEU 431 N -0.53 0.00 -5.67 0.00 3.38 -1.04 -3.40 115.31 108.05 1isr h LEU 431 Ca -0.57 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.83 1isr h LEU 431 Cb 1.72 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.05 1isr h LEU 431 CO -0.21 0.99 -0.80 0.00 0.09 0.00 0.00 178.44 178.51 1isr s PRO 433 N -2.88 4.21 0.00 0.00 0.04 -1.23 -3.02 135.00 132.13 1isr s PRO 433 Ca 0.44 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1isr s PRO 433 Cb 0.26 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1isr s PRO 433 CO -0.10 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1isr n GLY 434 N 0.64 1.98 3.57 0.56 0.00 -1.26 -4.97 105.19 105.71 1isr n GLY 434 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1isr n GLY 434 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1isr n HIS 435 N 0.00 -0.10 -0.10 1.61 8.25 -1.17 -5.00 115.22 118.71 1isr n HIS 435 Ca 0.00 0.20 -0.18 0.00 -0.26 0.00 0.00 57.72 57.48 1isr n HIS 435 Cb 0.00 -1.87 -0.08 0.00 1.12 0.00 0.00 29.99 29.16 1isr n HIS 435 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1isr n VAL 436 N -4.45 1.50 -2.33 1.59 0.31 -1.26 -5.04 118.33 108.66 1isr n VAL 436 Ca 0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1isr n VAL 436 Cb 0.53 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1isr n VAL 436 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1isr n GLY 437 N 1.43 5.20 3.77 2.92 0.00 -1.26 -4.13 105.19 113.11 1isr n GLY 437 Ca -0.30 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.35 1isr n GLY 437 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1isr s LEU 438 N 0.00 4.36 0.00 0.99 1.43 -1.26 -5.03 118.68 119.18 1isr s LEU 438 Ca 0.00 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1isr s LEU 438 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1isr s LEU 438 CO 0.00 -0.60 0.00 0.00 0.23 0.00 0.00 176.35 175.98 1isr h ASP 440 N 0.00 0.15 -0.01 0.00 3.58 -1.94 -2.17 116.42 116.03 1isr h ASP 440 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1isr h ASP 440 Cb 0.00 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1isr h ASP 440 CO 0.00 0.10 -0.44 0.00 -2.88 0.00 0.00 179.24 176.02 1isr h ALA 441 N 1.83 0.82 -0.99 -0.78 0.00 -1.94 -3.18 119.26 115.01 1isr h ALA 441 Ca 0.15 -0.46 -0.69 0.00 0.00 0.00 0.00 54.91 53.91 1isr h ALA 441 Cb 0.37 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 17.76 1isr h ALA 441 CO -0.02 0.65 0.78 -1.33 0.00 0.00 0.00 179.25 179.33 1isr n MET 442 N -4.01 2.78 -3.39 0.00 2.81 -0.82 -4.76 117.12 109.72 1isr n MET 442 Ca -0.02 -3.42 -0.20 0.00 -1.81 0.00 0.00 57.70 52.25 1isr n MET 442 Cb 0.54 -2.28 -0.09 0.00 -0.71 0.00 0.00 33.22 30.67 1isr n MET 442 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1isr s LYS 443 N -3.86 0.56 0.90 0.03 1.02 -1.20 -3.95 119.74 113.24 1isr s LYS 443 Ca 0.61 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 1isr s LYS 443 Cb 0.49 -0.84 0.18 0.00 -0.52 0.00 0.00 37.83 37.14 1isr s LYS 443 CO -0.10 -1.17 1.24 -1.25 -0.92 0.00 0.00 175.35 173.15 1isr s PRO 444 N 1.51 0.87 -0.15 -1.68 0.04 -1.26 -4.96 135.00 129.38 1isr s PRO 444 Ca 0.16 -0.60 -0.28 0.00 0.04 0.00 0.00 61.00 60.32 1isr s PRO 444 Cb -0.17 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1isr s PRO 444 CO -0.08 -2.19 0.95 0.42 0.04 0.00 0.00 177.00 176.14 1isr s ILE 445 N -3.71 4.80 -0.14 0.56 1.01 -1.25 -4.98 121.20 117.49 1isr s ILE 445 Ca 0.72 1.89 -0.29 0.00 0.00 0.00 0.00 60.65 62.97 1isr s ILE 445 Cb -0.04 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1isr s ILE 445 CO 0.51 -0.02 1.11 -0.62 0.00 0.00 0.00 174.94 175.92 1isr s ASP 446 N 1.13 7.10 0.14 3.58 -1.08 -1.26 -4.94 116.67 121.34 1isr s ASP 446 Ca 0.44 1.59 -0.11 0.00 -0.52 0.00 0.00 52.55 53.95 1isr s ASP 446 Cb -0.17 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 1isr s ASP 446 CO 0.14 -0.60 1.52 1.23 0.52 0.00 0.00 175.17 177.97 1isr h GLY 447 N 8.78 1.01 1.45 2.66 0.00 -1.93 -1.81 103.07 113.24 1isr h GLY 447 Ca -0.28 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.10 1isr h GLY 447 CO 0.92 0.85 0.25 0.07 0.00 0.00 0.00 176.54 178.63 1isr h ARG 448 N 0.76 0.72 0.09 4.80 0.11 -1.93 -1.58 114.38 117.36 1isr h ARG 448 Ca 0.09 -0.08 -0.28 0.00 0.10 0.00 0.00 59.98 59.81 1isr h ARG 448 Cb 0.82 -0.14 0.02 0.00 1.11 0.00 0.00 29.97 31.78 1isr h ARG 448 CO 0.07 0.56 -1.17 0.87 0.10 0.00 0.00 179.97 180.40 1isr h LYS 449 N 0.73 0.52 0.00 0.08 1.57 -1.96 -3.20 116.57 114.31 1isr h LYS 449 Ca 0.18 -0.68 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1isr h LYS 449 Cb 0.07 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1isr h LYS 449 CO -0.03 1.29 -0.06 1.25 -0.57 0.00 0.00 179.45 181.33 1isr h LEU 450 N 0.23 0.00 -0.62 2.94 5.85 -0.88 -2.07 115.31 120.77 1isr h LEU 450 Ca -0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1isr h LEU 450 Cb 1.84 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1isr h LEU 450 CO 0.21 0.06 0.23 0.25 -0.34 0.00 0.00 178.44 178.86 1isr h LEU 451 N 0.00 0.86 -0.50 2.25 5.85 -1.29 -1.73 115.31 120.74 1isr h LEU 451 Ca -0.00 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1isr h LEU 451 Cb 0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1isr h LEU 451 CO 0.01 0.81 0.04 0.44 -0.34 0.00 0.00 178.44 179.40 1isr h ASP 452 N 0.87 0.84 -0.71 1.25 3.32 -1.45 -2.59 116.42 117.94 1isr h ASP 452 Ca 0.20 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1isr h ASP 452 Cb 0.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1isr h ASP 452 CO -0.01 0.92 0.22 -0.26 -1.72 0.00 0.00 179.24 178.38 1isr h PHE 453 N 0.73 1.15 0.21 4.55 0.04 -1.35 -2.05 116.94 120.22 1isr h PHE 453 Ca 0.15 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1isr h PHE 453 Cb 0.46 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1isr h PHE 453 CO 0.03 0.92 -0.19 -0.07 -0.60 0.00 0.00 178.31 178.40 1isr h LEU 454 N 1.05 -0.52 -1.74 1.54 3.38 -1.18 -2.28 115.31 115.56 1isr h LEU 454 Ca 0.23 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1isr h LEU 454 Cb 0.31 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1isr h LEU 454 CO -0.01 -0.29 0.25 0.40 0.09 0.00 0.00 178.44 178.88 1isr h ILE 455 N -0.43 0.99 -0.44 1.22 1.08 -1.36 -1.56 117.51 117.01 1isr h ILE 455 Ca -0.00 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 64.24 1isr h ILE 455 Cb 0.40 0.63 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1isr h ILE 455 CO -0.04 0.06 0.14 0.29 -0.69 0.00 0.00 178.15 177.91 1isr n LYS 456 N -4.48 2.80 -4.06 2.37 5.02 -0.78 -4.32 118.16 114.71 1isr n LYS 456 Ca 0.04 -1.88 -0.25 0.00 -2.02 0.00 0.00 58.31 54.21 1isr n LYS 456 Cb 0.19 -1.88 -0.04 0.00 -0.02 0.00 0.00 35.03 33.28 1isr n LYS 456 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1isr s SER 457 N -0.44 5.72 -0.27 4.39 0.01 -0.59 -5.01 113.70 117.52 1isr s SER 457 Ca 0.34 -0.10 -0.22 0.00 1.31 0.00 0.00 55.95 57.28 1isr s SER 457 Cb 0.27 -1.54 0.07 0.00 0.21 0.00 0.00 66.02 65.02 1isr s SER 457 CO 0.09 0.02 0.70 -0.94 0.41 0.00 0.00 173.24 173.52 1isr s SER 458 N -3.40 -0.79 0.35 2.44 1.04 -1.26 -4.00 113.70 108.08 1isr s SER 458 Ca 0.32 1.45 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 1isr s SER 458 Cb -0.10 1.42 0.05 0.00 0.10 0.00 0.00 66.02 67.50 1isr s SER 458 CO 0.25 -0.24 0.81 0.72 0.98 0.00 0.00 173.24 175.76 1isr s PHE 459 N 0.73 0.08 -0.27 5.02 -0.12 -0.41 -5.02 117.98 117.98 1isr s PHE 459 Ca -0.03 -0.70 -0.13 0.00 -0.05 0.00 0.00 56.93 56.02 1isr s PHE 459 Cb -0.05 0.81 -0.04 0.00 -0.63 0.00 0.00 43.02 43.11 1isr s PHE 459 CO -0.05 -1.46 0.30 0.08 -0.05 0.00 0.00 175.22 174.03 1isr s VAL 460 N -2.49 5.23 1.19 -2.49 1.01 -1.26 -1.65 120.40 119.94 1isr s VAL 460 Ca 0.15 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 1isr s VAL 460 Cb -0.05 -3.63 0.24 0.00 0.00 0.00 0.00 36.38 32.95 1isr s VAL 460 CO 0.10 0.20 0.65 0.61 0.00 0.00 0.00 175.10 176.66 1isr n GLY 461 N 4.82 -2.41 0.29 4.51 0.00 0.77 -4.81 105.19 108.36 1isr n GLY 461 Ca -0.11 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 44.95 1isr n GLY 461 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1isr h VAL 462 N -2.62 0.63 -0.22 1.61 3.04 -1.91 -2.16 116.25 114.62 1isr h VAL 462 Ca -0.58 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1isr h VAL 462 Cb 1.33 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1isr h VAL 462 CO 0.44 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.80 1isr n SER 463 N -4.00 2.52 0.00 3.17 7.64 -1.26 -4.98 113.62 116.71 1isr n SER 463 Ca -0.03 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1isr n SER 463 Cb 0.10 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1isr n SER 463 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1isr n GLY 464 N 0.50 0.93 3.88 0.23 0.00 -0.81 -5.06 105.19 104.85 1isr n GLY 464 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1isr n GLY 464 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1isr s GLU 465 N -0.85 3.13 -0.23 1.61 1.03 -1.26 -4.68 118.70 117.45 1isr s GLU 465 Ca 0.00 0.53 -0.18 0.00 0.03 0.00 0.00 54.97 55.35 1isr s GLU 465 Cb 0.00 -2.06 -0.03 0.00 -0.80 0.00 0.00 34.13 31.24 1isr s GLU 465 CO 0.00 -0.84 0.52 -1.21 -1.33 0.00 0.00 175.26 172.40 1isr s GLU 466 N -5.27 4.14 -0.20 -4.83 0.41 -1.26 -0.16 118.70 111.52 1isr s GLU 466 Ca 0.57 0.38 0.01 0.00 -0.41 0.00 0.00 54.97 55.52 1isr s GLU 466 Cb -0.11 -3.60 0.04 0.00 -1.78 0.00 0.00 34.13 28.68 1isr s GLU 466 CO 0.52 -0.25 -0.13 0.08 -0.49 0.00 0.00 175.26 174.99 1isr s VAL 467 N 1.96 1.82 0.15 2.63 1.01 -0.66 -4.87 120.40 122.44 1isr s VAL 467 Ca 0.23 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1isr s VAL 467 Cb -0.15 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1isr s VAL 467 CO 0.09 0.24 0.45 -1.66 0.00 0.00 0.00 175.10 174.23 1isr s TRP 468 N 1.33 -0.23 0.24 5.22 1.48 -1.26 -1.29 118.94 124.43 1isr s TRP 468 Ca -0.01 -0.08 0.11 0.00 -1.06 0.00 0.00 56.10 55.07 1isr s TRP 468 Cb -0.16 0.33 -0.05 0.00 -1.16 0.00 0.00 33.47 32.43 1isr s TRP 468 CO -0.09 -0.77 -0.18 -0.06 -4.06 0.00 0.00 176.95 171.79 1isr s PHE 469 N -3.81 2.37 0.00 1.66 0.40 -1.26 -4.27 117.98 113.07 1isr s PHE 469 Ca 0.04 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1isr s PHE 469 Cb 0.01 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1isr s PHE 469 CO -0.10 0.62 0.00 -0.40 0.70 0.00 0.00 175.22 176.04 1isr n ASP 470 N -0.29 0.09 0.00 1.36 3.85 -0.90 -4.90 116.55 115.76 1isr n ASP 470 Ca -0.08 -0.88 0.08 0.00 -0.71 0.00 0.00 54.79 53.21 1isr n ASP 470 Cb 0.58 0.00 0.42 0.00 -1.35 0.00 0.00 41.12 40.77 1isr n ASP 470 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1isr n GLU 471 N -0.84 0.17 -0.19 0.11 0.00 -1.26 -2.50 120.64 116.14 1isr n GLU 471 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 57.16 57.38 1isr n GLU 471 Cb 0.00 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.11 1isr n GLU 471 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1isr n LYS 472 N -1.35 2.59 -0.97 3.44 5.02 -1.26 -4.96 118.16 120.68 1isr n LYS 472 Ca 0.07 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1isr n LYS 472 Cb 0.16 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1isr n LYS 472 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1isr n GLY 473 N 0.78 0.48 3.88 0.72 0.00 -1.04 -4.71 105.19 105.31 1isr n GLY 473 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1isr n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1isr s ASP 474 N -2.20 6.55 0.16 1.61 1.01 -1.26 -0.71 116.67 121.84 1isr s ASP 474 Ca 0.00 0.94 0.11 0.00 0.71 0.00 0.00 52.55 54.31 1isr s ASP 474 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1isr s ASP 474 CO 0.00 -0.21 -0.22 0.00 0.21 0.00 0.00 175.17 174.95 1isr s ALA 475 N -2.06 2.56 0.63 5.23 0.00 -1.21 -2.12 121.76 124.79 1isr s ALA 475 Ca 0.48 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 1isr s ALA 475 Cb -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1isr s ALA 475 CO 0.26 0.50 1.10 -1.25 0.00 0.00 0.00 175.76 176.37 1isr s PRO 476 N -2.41 2.95 0.05 0.00 0.04 -1.26 -2.47 135.00 131.90 1isr s PRO 476 Ca 0.19 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 1isr s PRO 476 Cb -0.09 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1isr s PRO 476 CO 0.09 -1.13 0.31 0.41 0.04 0.00 0.00 177.00 176.72 1isr n GLY 477 N -0.50 1.03 3.83 0.56 0.00 -1.26 -4.59 105.19 104.27 1isr n GLY 477 Ca 0.10 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 1isr n GLY 477 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1isr s ARG 478 N -2.01 1.66 0.20 1.61 1.70 -1.26 -4.86 118.95 115.99 1isr s ARG 478 Ca 0.07 -0.93 0.09 0.00 -0.47 0.00 0.00 55.73 54.48 1isr s ARG 478 Cb -0.01 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 1isr s ARG 478 CO 0.01 -0.76 -0.17 0.71 -1.08 0.00 0.00 175.30 174.01 1isr s TYR 479 N -3.61 1.83 -0.11 5.89 1.51 -0.72 -1.45 117.35 120.69 1isr s TYR 479 Ca 0.12 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1isr s TYR 479 Cb -0.05 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1isr s TYR 479 CO 0.06 0.39 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.17 1isr s ASP 480 N -3.05 3.30 -0.06 2.29 1.01 0.92 -1.01 116.67 120.06 1isr s ASP 480 Ca 0.20 -0.51 -0.19 0.00 0.71 0.00 0.00 52.55 52.76 1isr s ASP 480 Cb -0.03 -1.46 -0.05 0.00 1.01 0.00 0.00 42.92 42.39 1isr s ASP 480 CO 0.08 0.15 0.53 -0.63 0.21 0.00 0.00 175.17 175.51 1isr s ILE 481 N 0.39 5.07 0.12 0.77 -1.09 0.75 -2.12 121.20 125.08 1isr s ILE 481 Ca -0.16 1.09 0.08 0.00 -2.23 0.00 0.00 60.65 59.43 1isr s ILE 481 Cb -0.17 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1isr s ILE 481 CO 0.07 0.37 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.00 1isr s MET 482 N 0.22 2.04 -0.19 2.79 -1.94 -0.76 -2.52 119.30 118.95 1isr s MET 482 Ca 0.29 -1.09 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1isr s MET 482 Cb -0.17 -2.25 0.06 0.00 2.01 0.00 0.00 34.83 34.48 1isr s MET 482 CO 0.14 0.49 0.02 1.21 -0.01 0.00 0.00 175.02 176.87 1isr s ASN 483 N -2.27 2.88 -0.23 3.03 3.04 -0.97 -0.73 114.94 119.69 1isr s ASN 483 Ca 0.21 -0.78 -0.29 0.00 0.04 0.00 0.00 52.86 52.04 1isr s ASN 483 Cb -0.11 -0.66 0.00 0.00 -1.54 0.00 0.00 41.25 38.94 1isr s ASN 483 CO 0.13 -0.28 1.17 -0.22 -3.04 0.00 0.00 177.10 174.86 1isr s LEU 484 N 1.81 4.07 0.11 3.21 2.96 0.02 -1.99 118.68 128.88 1isr s LEU 484 Ca -0.01 1.42 -0.09 0.00 -0.22 0.00 0.00 54.13 55.23 1isr s LEU 484 Cb -0.17 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1isr s LEU 484 CO -0.07 -0.80 0.22 0.00 -1.32 0.00 0.00 176.35 174.38 1isr s GLN 485 N 3.53 0.94 -0.50 1.98 -2.07 -1.04 -1.29 119.66 121.21 1isr s GLN 485 Ca 0.50 -1.02 -0.27 0.00 -1.82 0.00 0.00 55.36 52.75 1isr s GLN 485 Cb -0.17 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.13 1isr s GLN 485 CO 0.13 -0.32 1.04 -0.47 -1.32 0.00 0.00 175.29 174.36 1isr s TYR 486 N -3.89 2.82 1.13 9.60 5.04 -1.26 -2.54 117.35 128.25 1isr s TYR 486 Ca 0.09 0.46 -0.19 0.00 -2.44 0.00 0.00 57.07 54.99 1isr s TYR 486 Cb 0.04 -4.24 0.29 0.00 0.35 0.00 0.00 41.96 38.40 1isr s TYR 486 CO -0.08 -1.26 0.85 0.25 -1.34 0.00 0.00 175.55 173.97 1isr n THR 487 N 6.60 0.00 0.14 4.34 -2.24 -0.83 -4.89 114.28 117.39 1isr n THR 487 Ca 0.08 -0.24 0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1isr n THR 487 Cb 0.49 -1.05 0.52 0.00 -2.10 0.00 0.00 70.33 68.18 1isr n THR 487 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1isr h GLU 488 N 0.00 0.24 -7.01 -0.78 9.09 -1.96 -3.43 114.58 110.72 1isr h GLU 488 Ca -0.34 -0.02 -0.45 0.00 0.05 0.00 0.00 59.36 58.60 1isr h GLU 488 Cb 1.10 -0.05 0.06 0.00 -1.65 0.00 0.00 28.75 28.21 1isr h GLU 488 CO 0.22 0.19 0.06 0.00 0.05 0.00 0.00 179.01 179.53 1isr s ALA 489 N -5.17 3.67 -1.18 1.06 0.00 -1.26 -4.95 121.76 113.92 1isr s ALA 489 Ca -0.06 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1isr s ALA 489 Cb 0.17 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1isr s ALA 489 CO 0.70 -1.05 2.14 -1.71 0.00 0.00 0.00 175.76 175.84 1isr n ASN 490 N -2.60 3.62 -3.61 0.00 4.05 -1.26 -4.81 115.26 110.64 1isr n ASN 490 Ca 0.10 -2.75 -0.14 0.00 0.45 0.00 0.00 54.58 52.24 1isr n ASN 490 Cb 0.60 -1.42 -0.07 0.00 1.23 0.00 0.00 39.78 40.12 1isr n ASN 490 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1isr s ARG 491 N 3.85 0.83 -0.18 1.20 3.52 -1.26 -5.09 118.95 121.82 1isr s ARG 491 Ca 0.52 0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 56.87 1isr s ARG 491 Cb 0.14 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.89 1isr s ARG 491 CO -0.01 -0.13 0.11 0.71 -0.81 0.00 0.00 175.30 175.17 1isr s TYR 492 N 0.11 3.38 0.10 5.12 2.02 -1.26 -1.97 117.35 124.85 1isr s TYR 492 Ca -0.01 0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.83 1isr s TYR 492 Cb -0.04 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1isr s TYR 492 CO 0.02 0.31 0.30 0.34 -1.57 0.00 0.00 175.55 174.95 1isr s ASP 493 N 0.15 -0.08 -0.29 2.29 -1.08 -1.05 -5.00 116.67 111.62 1isr s ASP 493 Ca 0.07 -0.43 -0.26 0.00 -0.52 0.00 0.00 52.55 51.42 1isr s ASP 493 Cb -0.12 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.75 1isr s ASP 493 CO -0.00 -0.77 0.90 -0.31 0.52 0.00 0.00 175.17 175.51 1isr s TYR 494 N -3.63 3.23 -0.11 -5.34 1.51 -1.26 -2.50 117.35 109.25 1isr s TYR 494 Ca 0.03 1.06 -0.09 0.00 -1.01 0.00 0.00 57.07 57.05 1isr s TYR 494 Cb 0.03 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 1isr s TYR 494 CO -0.10 -0.57 0.19 0.08 -1.11 0.00 0.00 175.55 174.04 1isr s VAL 495 N 3.13 5.41 -0.43 0.71 1.01 -0.84 -4.90 120.40 124.49 1isr s VAL 495 Ca 0.38 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 1isr s VAL 495 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1isr s VAL 495 CO 0.11 0.59 1.47 -2.28 0.00 0.00 0.00 175.10 174.99 1isr s HIS 496 N -0.85 2.29 -0.01 5.22 2.46 -1.26 -2.29 115.29 120.84 1isr s HIS 496 Ca 0.16 0.64 0.08 0.00 0.47 0.00 0.00 55.06 56.41 1isr s HIS 496 Cb -0.13 -4.30 -0.12 0.00 -0.13 0.00 0.00 32.58 27.90 1isr s HIS 496 CO 0.05 -2.10 0.17 1.33 -2.47 0.00 0.00 174.74 171.72 1isr n VAL 497 N 7.10 0.03 -3.89 0.89 0.24 -1.05 -5.02 118.33 116.63 1isr n VAL 497 Ca 0.17 -0.19 -0.03 0.00 -2.04 0.00 0.00 64.34 62.25 1isr n VAL 497 Cb 0.48 0.26 0.02 0.00 -1.47 0.00 0.00 33.84 33.13 1isr n VAL 497 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1isr s GLY 498 N -2.97 0.13 0.12 7.63 0.00 -1.12 -1.39 107.32 109.72 1isr s GLY 498 Ca -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 1isr s GLY 498 CO 0.33 2.61 0.10 -0.51 0.00 0.00 0.00 173.10 175.63 1isr s THR 499 N -2.12 0.12 -0.07 0.90 -4.23 -0.77 -0.18 115.64 109.29 1isr s THR 499 Ca 0.22 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1isr s THR 499 Cb -0.03 -1.83 0.04 0.00 1.34 0.00 0.00 72.50 72.02 1isr s THR 499 CO 0.05 -0.55 0.13 0.86 -0.54 0.00 0.00 174.62 174.57 1isr s TRP 500 N -3.99 -0.12 -0.21 3.99 -0.00 -0.18 -1.83 118.94 116.59 1isr s TRP 500 Ca 0.17 0.48 -0.04 0.00 -0.00 0.00 0.00 56.10 56.71 1isr s TRP 500 Cb 0.06 -0.23 0.11 0.00 -0.00 0.00 0.00 33.47 33.42 1isr s TRP 500 CO -0.02 -0.21 0.35 -1.58 -0.00 0.00 0.00 176.95 175.49 1isr s HIS 501 N 1.79 -0.70 -0.90 5.86 2.46 -0.63 -1.75 115.29 121.42 1isr s HIS 501 Ca -0.02 0.93 -0.06 0.00 0.47 0.00 0.00 55.06 56.38 1isr s HIS 501 Cb -0.12 0.03 -0.02 0.00 -0.13 0.00 0.00 32.58 32.34 1isr s HIS 501 CO -0.05 -0.60 0.76 0.39 -2.47 0.00 0.00 174.74 172.76 1isr n GLU 502 N 5.36 -1.55 -0.47 2.88 1.02 -1.26 -2.57 120.64 124.06 1isr n GLU 502 Ca -0.05 1.05 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1isr n GLU 502 Cb 0.50 -5.02 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 1isr n GLU 502 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1isr n GLY 503 N -1.61 0.74 3.63 0.62 0.00 -1.26 -4.96 105.19 102.35 1isr n GLY 503 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1isr n GLY 503 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1isr s VAL 504 N -2.16 5.31 -0.32 1.61 1.01 -1.06 -5.06 120.40 119.74 1isr s VAL 504 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1isr s VAL 504 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1isr s VAL 504 CO 0.00 0.28 0.03 -0.22 0.00 0.00 0.00 175.10 175.19 1isr s LEU 505 N 1.46 4.10 -0.40 3.92 2.96 -1.26 -1.60 118.68 127.86 1isr s LEU 505 Ca 0.09 -1.41 -0.06 0.00 -0.22 0.00 0.00 54.13 52.53 1isr s LEU 505 Cb -0.15 -1.72 0.09 0.00 0.50 0.00 0.00 46.19 44.91 1isr s LEU 505 CO 0.08 -0.30 0.21 0.20 -1.32 0.00 0.00 176.35 175.22 1isr s ASN 506 N 1.31 5.40 -0.13 3.68 0.01 -0.76 -5.03 114.94 119.43 1isr s ASN 506 Ca -0.03 -1.69 -0.00 0.00 -0.71 0.00 0.00 52.86 50.43 1isr s ASN 506 Cb -0.20 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1isr s ASN 506 CO -0.02 -0.51 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.30 1isr s ILE 507 N 1.30 3.12 -0.42 0.60 1.01 -1.26 -1.85 121.20 123.70 1isr s ILE 507 Ca 0.04 -0.64 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 1isr s ILE 507 Cb -0.23 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1isr s ILE 507 CO -0.01 0.52 1.08 -0.62 0.00 0.00 0.00 174.94 175.91 1isr s ASP 508 N 0.31 6.72 0.23 3.58 -1.08 -0.49 -4.92 116.67 121.03 1isr s ASP 508 Ca -0.10 0.63 0.09 0.00 -0.52 0.00 0.00 52.55 52.64 1isr s ASP 508 Cb -0.16 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.00 1isr s ASP 508 CO 0.05 -1.08 1.53 0.44 0.52 0.00 0.00 175.17 176.64 1isr h ASP 509 N 8.78 0.05 0.69 -0.34 3.32 -1.95 -3.23 116.42 123.74 1isr h ASP 509 Ca -0.22 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1isr h ASP 509 Cb 1.06 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1isr h ASP 509 CO 1.07 0.73 -0.10 0.00 -1.72 0.00 0.00 179.24 179.23 1isr n TYR 510 N -3.72 0.00 0.46 4.55 0.18 -1.26 -3.35 117.16 114.01 1isr n TYR 510 Ca -0.01 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.88 1isr n TYR 510 Cb 0.69 -0.34 0.06 0.00 -0.38 0.00 0.00 39.34 39.36 1isr n TYR 510 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1isr n LYS 511 N -1.33 0.36 0.00 -3.48 5.02 -1.22 -5.27 118.16 112.25 1isr n LYS 511 Ca 0.10 0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1isr n LYS 511 Cb 0.30 -1.67 0.21 0.00 -0.02 0.00 0.00 35.03 33.86 1isr n LYS 511 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99