#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up6 n ARG 2 N 0.00 0.00 -4.35 1.57 0.63 -1.26 -5.01 116.66 108.24 1up6 n ARG 2 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1up6 n ARG 2 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1up6 n ARG 2 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1up6 s ILE 3 N -0.61 3.25 -0.07 5.15 1.01 -0.56 -0.93 121.20 128.46 1up6 s ILE 3 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1up6 s ILE 3 Cb 0.00 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1up6 s ILE 3 CO 0.00 0.48 0.31 0.00 0.00 0.00 0.00 174.94 175.73 1up6 s ALA 4 N 0.84 3.73 -0.25 9.38 0.00 0.08 -1.42 121.76 134.13 1up6 s ALA 4 Ca -0.03 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1up6 s ALA 4 Cb -0.15 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.74 1up6 s ALA 4 CO 0.01 0.44 -0.11 0.08 0.00 0.00 0.00 175.76 176.17 1up6 s VAL 5 N -0.74 2.31 -0.47 0.00 1.01 0.75 -0.74 120.40 122.52 1up6 s VAL 5 Ca 0.20 -1.39 -0.14 0.00 0.00 0.00 0.00 61.98 60.65 1up6 s VAL 5 Cb -0.15 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.06 1up6 s VAL 5 CO 0.09 0.11 0.39 -0.63 0.00 0.00 0.00 175.10 175.06 1up6 s ILE 6 N 1.18 5.03 0.00 2.22 -1.09 0.03 -0.63 121.20 127.95 1up6 s ILE 6 Ca -0.04 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.18 1up6 s ILE 6 Cb -0.18 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1up6 s ILE 6 CO -0.06 -0.61 0.00 0.61 -1.23 0.00 0.00 174.94 173.65 1up6 n GLY 7 N 5.15 0.95 0.41 6.18 0.00 0.23 -1.01 105.19 117.10 1up6 n GLY 7 Ca -0.12 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.13 1up6 n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1up6 h GLY 8 N 0.00 0.00 1.56 -0.02 0.00 -1.32 -1.10 103.07 102.18 1up6 h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1up6 h GLY 8 CO 0.00 0.00 -0.00 0.61 0.00 0.00 0.00 176.54 177.15 1up6 n GLY 9 N -1.64 -1.28 3.56 4.60 0.00 -1.26 -4.78 105.19 104.39 1up6 n GLY 9 Ca 0.12 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1up6 n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1up6 n SER 10 N -1.28 0.60 0.00 1.61 2.88 -0.42 -4.75 113.62 112.27 1up6 n SER 10 Ca 0.14 0.98 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 1up6 n SER 10 Cb 0.24 -1.28 0.73 0.00 -0.75 0.00 0.00 64.21 63.15 1up6 n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1up6 n SER 11 N 0.64 0.00 0.06 -3.46 3.41 -1.26 -2.61 113.62 110.39 1up6 n SER 11 Ca 0.10 -0.43 0.12 0.00 -0.26 0.00 0.00 58.87 58.41 1up6 n SER 11 Cb 0.40 -0.16 0.26 0.00 -0.26 0.00 0.00 64.21 64.44 1up6 n SER 11 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1up6 n TYR 12 N -1.16 0.53 -0.21 7.33 4.01 -1.26 -4.52 117.16 121.88 1up6 n TYR 12 Ca 0.16 0.15 0.01 0.00 -0.16 0.00 0.00 57.90 58.06 1up6 n TYR 12 Cb 0.16 -0.66 0.09 0.00 -0.31 0.00 0.00 39.34 38.63 1up6 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1up6 h THR 13 N 0.00 0.43 -0.69 -0.72 2.02 -1.81 -1.26 112.91 110.89 1up6 h THR 13 Ca 0.00 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1up6 h THR 13 Cb 0.70 0.35 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 1up6 h THR 13 CO 0.00 0.01 0.30 -0.65 0.37 0.00 0.00 175.52 175.55 1up6 h PRO 14 N 0.07 0.49 -0.38 6.66 0.11 -1.84 -1.51 132.00 135.59 1up6 h PRO 14 Ca 0.32 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.45 1up6 h PRO 14 Cb 0.52 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1up6 h PRO 14 CO -0.59 0.32 0.15 0.93 -0.21 0.00 0.00 178.00 178.60 1up6 h GLU 15 N 0.50 0.31 -0.97 1.05 5.08 -1.55 0.29 114.58 119.29 1up6 h GLU 15 Ca 0.35 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.77 1up6 h GLU 15 Cb 0.43 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1up6 h GLU 15 CO -0.31 0.21 0.62 1.25 -1.00 0.00 0.00 179.01 179.77 1up6 h LEU 16 N 0.32 0.96 -0.44 1.33 5.85 -0.96 -1.17 115.31 121.20 1up6 h LEU 16 Ca 0.17 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1up6 h LEU 16 Cb 0.13 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1up6 h LEU 16 CO -0.16 0.59 -0.63 0.58 -0.34 0.00 0.00 178.44 178.49 1up6 h VAL 17 N 1.08 1.33 0.22 1.05 2.07 -0.79 -0.15 116.25 121.05 1up6 h VAL 17 Ca 0.43 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 66.05 1up6 h VAL 17 Cb 0.24 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1up6 h VAL 17 CO -0.20 0.59 -0.41 0.50 0.02 0.00 0.00 177.57 178.08 1up6 h LYS 18 N 0.41 -0.68 -0.82 1.57 3.64 -0.14 0.32 116.57 120.86 1up6 h LYS 18 Ca -0.01 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.58 1up6 h LYS 18 Cb 1.19 0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 33.01 1up6 h LYS 18 CO 0.12 -0.45 -0.22 0.78 -2.27 0.00 0.00 179.45 177.40 1up6 h GLY 19 N -0.71 0.53 1.51 5.01 0.00 -1.05 0.14 103.07 108.50 1up6 h GLY 19 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 1up6 h GLY 19 CO -0.18 -0.30 -0.22 1.41 0.00 0.00 0.00 176.54 177.25 1up6 h LEU 20 N -0.01 0.57 -0.68 3.11 3.38 0.03 -1.95 115.31 119.76 1up6 h LEU 20 Ca 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1up6 h LEU 20 Cb 0.60 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1up6 h LEU 20 CO -0.85 0.79 0.42 -0.07 0.09 0.00 0.00 178.44 178.82 1up6 h LEU 21 N 0.51 0.81 -1.04 1.67 3.38 0.14 -2.39 115.31 118.38 1up6 h LEU 21 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1up6 h LEU 21 Cb 0.65 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1up6 h LEU 21 CO 0.05 0.62 0.35 0.44 0.09 0.00 0.00 178.44 179.99 1up6 h ASP 22 N 0.92 0.93 1.35 -0.43 3.32 -0.04 -2.71 116.42 119.76 1up6 h ASP 22 Ca 0.25 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1up6 h ASP 22 Cb -0.05 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1up6 h ASP 22 CO -0.05 0.79 -0.15 2.30 -1.72 0.00 0.00 179.24 180.41 1up6 n ILE 23 N -4.33 0.56 0.38 0.35 -5.35 -1.00 -3.98 119.36 106.00 1up6 n ILE 23 Ca 0.07 -0.29 0.04 0.00 -0.27 0.00 0.00 62.75 62.30 1up6 n ILE 23 Cb 0.13 -0.48 0.21 0.00 -1.74 0.00 0.00 39.64 37.76 1up6 n ILE 23 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1up6 n SER 24 N -2.26 0.00 0.03 7.28 3.41 -0.91 -1.16 113.62 120.02 1up6 n SER 24 Ca 0.05 0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.75 1up6 n SER 24 Cb 0.44 -0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1up6 n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1up6 h GLU 25 N 0.00 0.18 0.00 4.33 4.39 -1.75 -3.37 114.58 118.37 1up6 h GLU 25 Ca 0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1up6 h GLU 25 Cb 0.10 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1up6 h GLU 25 CO 0.00 0.99 -0.54 -0.25 -1.16 0.00 0.00 179.01 178.05 1up6 n ASP 26 N -3.36 0.63 -3.71 1.42 8.00 -0.31 -4.94 116.55 114.28 1up6 n ASP 26 Ca -0.19 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 1up6 n ASP 26 Cb 1.04 0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 42.14 1up6 n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1up6 s VAL 27 N -3.12 -0.01 -0.10 2.53 1.01 -0.41 -5.01 120.40 115.30 1up6 s VAL 27 Ca 0.08 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1up6 s VAL 27 Cb 0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1up6 s VAL 27 CO 0.70 0.01 1.33 -0.60 0.00 0.00 0.00 175.10 176.54 1up6 s ARG 28 N 0.55 4.26 -0.18 2.72 3.52 -1.26 -4.14 118.95 124.42 1up6 s ARG 28 Ca -0.02 1.79 -0.00 0.00 -0.13 0.00 0.00 55.73 57.36 1up6 s ARG 28 Cb -0.04 -3.73 0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1up6 s ARG 28 CO -0.03 -0.66 -0.07 0.42 -0.81 0.00 0.00 175.30 174.15 1up6 s ILE 29 N 3.16 1.31 -0.08 4.11 1.01 -1.26 -4.94 121.20 124.52 1up6 s ILE 29 Ca 0.59 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1up6 s ILE 29 Cb -0.25 -1.46 -0.29 0.00 0.01 0.00 0.00 42.46 40.47 1up6 s ILE 29 CO 0.20 0.13 0.62 0.44 0.00 0.00 0.00 174.94 176.33 1up6 h ASP 30 N 8.06 0.50 -4.43 3.58 3.32 -1.95 -3.44 116.42 122.06 1up6 h ASP 30 Ca -0.25 -0.90 -0.10 0.00 0.02 0.00 0.00 57.03 55.80 1up6 h ASP 30 Cb 1.10 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.28 1up6 h ASP 30 CO 0.43 1.69 -0.15 -1.83 -1.72 0.00 0.00 179.24 177.66 1up6 s GLU 31 N -2.52 0.67 -0.18 3.56 -1.05 -1.26 -1.64 118.70 116.28 1up6 s GLU 31 Ca -0.18 0.31 0.01 0.00 -0.15 0.00 0.00 54.97 54.97 1up6 s GLU 31 Cb 0.05 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 1up6 s GLU 31 CO 0.81 -0.15 -0.17 0.08 0.95 0.00 0.00 175.26 176.78 1up6 s VAL 32 N -0.49 1.93 -0.08 1.83 1.01 0.14 -1.49 120.40 123.26 1up6 s VAL 32 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1up6 s VAL 32 Cb -0.03 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1up6 s VAL 32 CO 0.03 0.45 -0.12 -0.51 0.00 0.00 0.00 175.10 174.95 1up6 s ILE 33 N 1.33 3.26 -0.05 2.22 2.07 -0.51 -1.37 121.20 128.15 1up6 s ILE 33 Ca 0.03 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.66 1up6 s ILE 33 Cb -0.14 -2.32 -0.03 0.00 0.13 0.00 0.00 42.46 40.10 1up6 s ILE 33 CO -0.11 0.57 -0.08 -0.36 -1.91 0.00 0.00 174.94 173.05 1up6 s PHE 34 N -0.47 2.90 0.00 3.50 0.08 0.18 -0.18 117.98 123.99 1up6 s PHE 34 Ca 0.06 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1up6 s PHE 34 Cb -0.12 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1up6 s PHE 34 CO 0.02 0.33 -0.05 -0.47 -0.10 0.00 0.00 175.22 174.95 1up6 s TYR 35 N -0.85 0.40 -0.05 0.36 5.04 0.20 -1.09 117.35 121.36 1up6 s TYR 35 Ca 0.13 -0.11 -0.23 0.00 -2.44 0.00 0.00 57.07 54.42 1up6 s TYR 35 Cb -0.11 -0.26 0.05 0.00 0.35 0.00 0.00 41.96 41.99 1up6 s TYR 35 CO 0.03 -0.02 0.50 0.34 -1.34 0.00 0.00 175.55 175.07 1up6 s ASP 36 N -0.24 -0.45 0.43 4.32 -1.08 -1.26 0.75 116.67 119.14 1up6 s ASP 36 Ca 0.00 0.49 0.23 0.00 -0.52 0.00 0.00 52.55 52.76 1up6 s ASP 36 Cb -0.02 0.51 0.79 0.00 -1.46 0.00 0.00 42.92 42.73 1up6 s ASP 36 CO -0.00 -0.49 1.77 0.16 0.52 0.00 0.00 175.17 177.13 1up6 h ILE 37 N 3.52 0.52 -3.73 4.11 3.07 -1.98 -3.39 117.51 119.63 1up6 h ILE 37 Ca -0.28 -1.22 -0.76 0.00 1.55 0.00 0.00 64.86 64.14 1up6 h ILE 37 Cb 1.16 1.86 -0.29 0.00 -0.27 0.00 0.00 36.82 39.28 1up6 h ILE 37 CO 0.37 0.23 -0.00 -0.62 -1.05 0.00 0.00 178.15 177.07 1up6 s ASP 38 N -6.20 6.38 0.38 2.16 -1.08 -1.26 -4.94 116.67 112.11 1up6 s ASP 38 Ca 0.02 -2.83 0.05 0.00 -0.52 0.00 0.00 52.55 49.27 1up6 s ASP 38 Cb 0.09 -2.11 0.75 0.00 -1.46 0.00 0.00 42.92 40.19 1up6 s ASP 38 CO 0.65 -0.49 2.02 -0.33 0.52 0.00 0.00 175.17 177.54 1up6 h GLU 39 N 7.45 0.69 -0.17 4.34 3.07 -2.00 -2.23 114.58 125.73 1up6 h GLU 39 Ca 0.08 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.72 1up6 h GLU 39 Cb 1.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1up6 h GLU 39 CO 0.76 0.46 -0.64 1.49 -1.40 0.00 0.00 179.01 179.67 1up6 h GLU 40 N 0.71 0.64 0.38 2.33 4.81 -1.97 -2.11 114.58 119.37 1up6 h GLU 40 Ca 0.22 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1up6 h GLU 40 Cb -0.01 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1up6 h GLU 40 CO -0.05 1.08 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.90 1up6 h LYS 41 N 0.47 -0.49 -0.90 1.92 3.64 -1.90 -3.26 116.57 116.05 1up6 h LYS 41 Ca -0.01 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1up6 h LYS 41 Cb 1.23 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 1up6 h LYS 41 CO 0.13 -0.20 0.53 0.37 -2.27 0.00 0.00 179.45 178.01 1up6 h GLN 42 N -0.77 0.80 -0.85 1.90 4.15 -1.46 -2.55 115.11 116.34 1up6 h GLN 42 Ca -0.05 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.38 1up6 h GLN 42 Cb 0.52 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 1up6 h GLN 42 CO 0.09 0.53 0.55 -0.22 -1.93 0.00 0.00 178.83 177.85 1up6 h LYS 43 N 0.83 0.92 -0.11 1.69 3.64 -1.42 0.20 116.57 122.32 1up6 h LYS 43 Ca 0.46 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1up6 h LYS 43 Cb 0.50 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1up6 h LYS 43 CO -0.28 0.61 -0.08 0.82 -2.27 0.00 0.00 179.45 178.25 1up6 h ILE 44 N 0.95 1.34 -0.30 2.00 5.03 -1.52 -2.45 117.51 122.55 1up6 h ILE 44 Ca 0.36 -1.17 0.03 0.00 -0.12 0.00 0.00 64.86 63.97 1up6 h ILE 44 Cb 0.20 1.87 -0.03 0.00 -3.03 0.00 0.00 36.82 35.83 1up6 h ILE 44 CO -0.13 0.33 0.11 0.58 -0.68 0.00 0.00 178.15 178.36 1up6 h VAL 45 N -0.12 0.92 -0.09 1.67 2.07 -1.19 -1.95 116.25 117.56 1up6 h VAL 45 Ca 0.02 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1up6 h VAL 45 Cb 0.57 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1up6 h VAL 45 CO 0.02 0.04 -0.53 0.58 0.02 0.00 0.00 177.57 177.71 1up6 h VAL 46 N 0.25 1.36 -0.38 2.57 2.07 -0.68 0.06 116.25 121.50 1up6 h VAL 46 Ca 0.13 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 1up6 h VAL 46 Cb 0.10 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1up6 h VAL 46 CO -0.13 0.54 0.22 0.44 0.02 0.00 0.00 177.57 178.65 1up6 h ASP 47 N 0.20 0.46 -0.40 0.57 3.32 -1.24 0.14 116.42 119.46 1up6 h ASP 47 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1up6 h ASP 47 Cb 1.00 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1up6 h ASP 47 CO 0.08 0.39 0.24 0.15 -1.72 0.00 0.00 179.24 178.39 1up6 h PHE 48 N 0.49 0.46 -0.41 4.55 3.57 -0.55 -2.76 116.94 122.28 1up6 h PHE 48 Ca 0.13 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1up6 h PHE 48 Cb 0.03 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 1up6 h PHE 48 CO -0.03 0.27 -0.04 0.28 -2.23 0.00 0.00 178.31 176.56 1up6 h VAL 49 N 0.49 0.65 -0.50 1.41 2.07 -0.45 -2.08 116.25 117.83 1up6 h VAL 49 Ca 0.16 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1up6 h VAL 49 Cb -0.01 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1up6 h VAL 49 CO -0.07 0.01 0.34 0.11 0.02 0.00 0.00 177.57 177.98 1up6 h LYS 50 N 0.06 0.38 -0.00 1.57 1.57 -0.46 0.12 116.57 119.80 1up6 h LYS 50 Ca 0.20 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1up6 h LYS 50 Cb 0.30 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1up6 h LYS 50 CO -0.37 0.25 -0.67 0.00 -0.57 0.00 0.00 179.45 178.09 1up6 h ARG 51 N 0.39 0.02 0.22 3.15 3.08 -1.19 -2.45 114.38 117.60 1up6 h ARG 51 Ca 0.22 -0.02 -0.29 0.00 0.07 0.00 0.00 59.98 59.97 1up6 h ARG 51 Cb 0.38 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.46 1up6 h ARG 51 CO -0.06 0.68 -1.26 -0.07 -1.07 0.00 0.00 179.97 178.20 1up6 h LEU 52 N 0.02 0.72 -0.18 3.04 3.38 -0.87 -3.37 115.31 118.05 1up6 h LEU 52 Ca -0.01 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 56.96 1up6 h LEU 52 Cb 1.18 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1up6 h LEU 52 CO 0.09 1.61 -0.17 0.58 0.09 0.00 0.00 178.44 180.63 1up6 h VAL 53 N -0.03 1.33 -6.06 1.22 2.07 -0.88 -3.48 116.25 110.42 1up6 h VAL 53 Ca -0.22 -1.32 -0.42 0.00 0.82 0.00 0.00 66.70 65.56 1up6 h VAL 53 Cb 1.99 1.78 0.06 0.00 -1.52 0.00 0.00 31.29 33.60 1up6 h VAL 53 CO 0.23 0.40 -0.78 0.29 0.02 0.00 0.00 177.57 177.73 1up6 n LYS 54 N -4.49 -5.73 -1.18 1.57 5.02 -0.92 -2.23 118.16 110.20 1up6 n LYS 54 Ca -0.05 0.67 -0.06 0.00 -2.02 0.00 0.00 58.31 56.85 1up6 n LYS 54 Cb 0.38 -5.46 -0.03 0.00 -0.02 0.00 0.00 35.03 29.91 1up6 n LYS 54 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1up6 n ASP 55 N -3.00 -5.24 0.17 4.39 -0.08 -1.26 -4.84 116.55 106.69 1up6 n ASP 55 Ca -0.16 0.15 0.03 0.00 -1.51 0.00 0.00 54.79 53.30 1up6 n ASP 55 Cb 0.62 -3.28 0.40 0.00 2.34 0.00 0.00 41.12 41.19 1up6 n ASP 55 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1up6 h ARG 56 N 0.13 0.08 -4.38 -0.67 3.08 -1.84 -3.43 114.38 107.36 1up6 h ARG 56 Ca -0.13 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1up6 h ARG 56 Cb 0.90 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.80 1up6 h ARG 56 CO 0.18 0.34 -0.55 -0.59 -1.07 0.00 0.00 179.97 178.28 1up6 s PHE 57 N -4.46 0.92 0.08 3.04 -0.12 -1.26 -4.99 117.98 111.18 1up6 s PHE 57 Ca -0.04 -1.21 -0.30 0.00 -0.05 0.00 0.00 56.93 55.33 1up6 s PHE 57 Cb 0.15 -0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 1up6 s PHE 57 CO 0.72 -0.65 1.10 0.21 -0.05 0.00 0.00 175.22 176.55 1up6 s LYS 58 N -4.09 4.53 -0.19 1.99 2.20 -0.65 -4.90 119.74 118.62 1up6 s LYS 58 Ca 0.31 1.64 -0.03 0.00 -0.36 0.00 0.00 55.97 57.53 1up6 s LYS 58 Cb 0.06 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1up6 s LYS 58 CO 0.07 -0.08 -0.07 0.08 -0.36 0.00 0.00 175.35 175.00 1up6 s VAL 59 N 0.62 3.26 0.08 4.02 1.01 -1.26 -0.68 120.40 127.44 1up6 s VAL 59 Ca 0.54 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1up6 s VAL 59 Cb -0.27 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1up6 s VAL 59 CO 0.30 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.96 1up6 s LEU 60 N 1.16 2.29 -0.09 3.92 1.43 -0.47 -5.00 118.68 121.92 1up6 s LEU 60 Ca 0.02 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1up6 s LEU 60 Cb -0.14 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 1up6 s LEU 60 CO -0.02 -0.08 -0.12 -0.63 0.23 0.00 0.00 176.35 175.73 1up6 s ILE 61 N -1.35 3.19 0.03 -0.59 1.01 -1.26 0.49 121.20 122.72 1up6 s ILE 61 Ca -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1up6 s ILE 61 Cb -0.10 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1up6 s ILE 61 CO 0.02 0.56 -0.06 -0.55 0.00 0.00 0.00 174.94 174.91 1up6 s SER 62 N -0.19 4.68 0.13 3.58 0.15 -0.25 -4.89 113.70 116.92 1up6 s SER 62 Ca 0.01 -0.18 0.24 0.00 0.70 0.00 0.00 55.95 56.71 1up6 s SER 62 Cb -0.13 -1.07 0.34 0.00 -1.71 0.00 0.00 66.02 63.45 1up6 s SER 62 CO 0.03 0.25 1.33 0.44 1.20 0.00 0.00 173.24 176.48 1up6 h ASP 63 N 4.19 0.00 -4.08 5.45 3.32 -1.95 -3.42 116.42 119.93 1up6 h ASP 63 Ca -0.48 -0.19 -0.31 0.00 0.02 0.00 0.00 57.03 56.07 1up6 h ASP 63 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1up6 h ASP 63 CO 0.55 0.10 -0.71 0.42 -1.72 0.00 0.00 179.24 177.87 1up6 s THR 64 N -3.18 1.09 0.12 0.35 -4.23 -1.26 -5.02 115.64 103.51 1up6 s THR 64 Ca 0.06 -2.04 -0.20 0.00 -1.18 0.00 0.00 61.69 58.33 1up6 s THR 64 Cb 0.13 -1.82 -0.08 0.00 1.34 0.00 0.00 72.50 72.07 1up6 s THR 64 CO 0.72 -0.77 1.75 0.15 -0.54 0.00 0.00 174.62 175.94 1up6 h PHE 65 N 2.81 0.13 -0.69 3.99 3.57 -1.98 -3.06 116.94 121.71 1up6 h PHE 65 Ca -0.36 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.18 1up6 h PHE 65 Cb 1.19 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1up6 h PHE 65 CO 0.64 0.07 0.43 1.49 -2.23 0.00 0.00 178.31 178.71 1up6 h GLU 66 N 0.16 0.81 -0.24 1.11 4.81 -1.97 -1.17 114.58 118.08 1up6 h GLU 66 Ca 0.07 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1up6 h GLU 66 Cb 0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1up6 h GLU 66 CO -0.05 0.54 0.27 0.78 -0.73 0.00 0.00 179.01 179.81 1up6 h GLY 67 N 0.84 0.00 0.63 1.92 0.00 -1.92 -1.24 103.07 103.30 1up6 h GLY 67 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.34 1up6 h GLY 67 CO -0.11 0.00 -1.33 0.00 0.00 0.00 0.00 176.54 175.10 1up6 h ALA 68 N 1.70 0.11 0.00 3.60 0.00 -1.14 -3.40 119.26 120.13 1up6 h ALA 68 Ca 0.11 -1.01 -0.17 0.00 0.00 0.00 0.00 54.91 53.84 1up6 h ALA 68 Cb 0.64 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1up6 h ALA 68 CO -0.00 0.75 -1.27 -0.39 0.00 0.00 0.00 179.25 178.34 1up6 h VAL 69 N -0.27 0.66 -1.93 0.00 -1.51 -1.10 -3.41 116.25 108.68 1up6 h VAL 69 Ca -0.28 -2.18 -0.64 0.00 -1.23 0.00 0.00 66.70 62.38 1up6 h VAL 69 Cb 1.78 2.18 0.05 0.00 -2.13 0.00 0.00 31.29 33.17 1up6 h VAL 69 CO 0.09 0.37 0.68 0.55 -1.23 0.00 0.00 177.57 178.04 1up6 n VAL 70 N -2.99 0.08 -1.08 7.19 3.14 -0.49 -1.49 118.33 122.68 1up6 n VAL 70 Ca -0.08 -0.01 -0.03 0.00 -2.96 0.00 0.00 64.34 61.26 1up6 n VAL 70 Cb 0.85 -1.23 -0.01 0.00 -1.06 0.00 0.00 33.84 32.39 1up6 n VAL 70 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1up6 n ASP 71 N 3.46 -5.46 -4.76 6.55 8.00 -1.26 -4.99 116.55 118.09 1up6 n ASP 71 Ca 0.19 0.07 -0.40 0.00 0.71 0.00 0.00 54.79 55.36 1up6 n ASP 71 Cb 0.23 -3.21 -0.06 0.00 -0.02 0.00 0.00 41.12 38.07 1up6 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up6 s ALA 72 N -1.40 3.41 -0.01 2.24 0.00 -0.56 -4.50 121.76 120.95 1up6 s ALA 72 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 51.96 52.43 1up6 s ALA 72 Cb 0.00 -3.00 -0.17 0.00 0.00 0.00 0.00 23.12 19.95 1up6 s ALA 72 CO 0.00 0.20 1.02 -0.22 0.00 0.00 0.00 175.76 176.76 1up6 h LYS 73 N 4.80 0.00 -4.98 0.00 3.64 -1.36 -3.38 116.57 115.29 1up6 h LYS 73 Ca -0.46 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.52 1up6 h LYS 73 Cb 1.21 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.76 1up6 h LYS 73 CO 0.68 0.65 -0.78 0.71 -2.27 0.00 0.00 179.45 178.43 1up6 s TYR 74 N -2.74 0.99 -0.11 1.91 2.02 -1.20 -2.27 117.35 115.96 1up6 s TYR 74 Ca -0.01 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1up6 s TYR 74 Cb 0.09 -0.61 0.03 0.00 -0.40 0.00 0.00 41.96 41.07 1up6 s TYR 74 CO 0.81 -0.00 -0.05 0.08 -1.57 0.00 0.00 175.55 174.82 1up6 s VAL 75 N -0.60 0.85 -0.31 0.71 1.01 -0.39 -0.74 120.40 120.94 1up6 s VAL 75 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1up6 s VAL 75 Cb -0.06 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1up6 s VAL 75 CO 0.00 0.32 0.19 -0.63 0.00 0.00 0.00 175.10 174.98 1up6 s ILE 76 N 1.78 5.04 -0.32 2.22 1.01 0.08 -0.05 121.20 130.96 1up6 s ILE 76 Ca 0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 1up6 s ILE 76 Cb -0.13 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1up6 s ILE 76 CO -0.07 0.12 0.67 -0.36 0.00 0.00 0.00 174.94 175.29 1up6 s PHE 77 N 1.70 3.19 -0.03 3.97 0.40 -0.11 -0.79 117.98 126.32 1up6 s PHE 77 Ca 0.06 0.56 0.25 0.00 -0.60 0.00 0.00 56.93 57.20 1up6 s PHE 77 Cb -0.17 -3.09 0.42 0.00 0.51 0.00 0.00 43.02 40.69 1up6 s PHE 77 CO 0.09 -0.54 1.16 0.00 0.70 0.00 0.00 175.22 176.62 1up6 n GLN 78 N 6.01 0.19 -2.76 0.44 10.64 -0.18 -0.70 117.38 131.01 1up6 n GLN 78 Ca -0.00 -2.11 -0.27 0.00 -1.83 0.00 0.00 57.00 52.79 1up6 n GLN 78 Cb 0.49 -0.14 -0.01 0.00 -0.86 0.00 0.00 30.24 29.72 1up6 n GLN 78 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1up6 s PHE 79 N -0.39 3.54 -0.43 2.61 -0.71 -1.02 -4.71 117.98 116.88 1up6 s PHE 79 Ca 0.32 0.79 0.03 0.00 -1.04 0.00 0.00 56.93 57.03 1up6 s PHE 79 Cb 0.37 -2.27 0.12 0.00 -1.21 0.00 0.00 43.02 40.02 1up6 s PHE 79 CO -0.15 -0.20 0.17 0.50 -1.34 0.00 0.00 175.22 174.20 1up6 s ARG 80 N -4.54 1.59 -0.05 1.99 3.52 -1.26 -4.53 118.95 115.68 1up6 s ARG 80 Ca 0.47 -2.14 -0.35 0.00 -0.13 0.00 0.00 55.73 53.58 1up6 s ARG 80 Cb -0.10 -3.01 -0.13 0.00 -1.56 0.00 0.00 34.95 30.15 1up6 s ARG 80 CO 0.42 -1.05 1.78 -2.30 -0.81 0.00 0.00 175.30 173.33 1up6 n PRO 81 N 3.71 2.02 -0.96 5.12 -0.02 -1.26 -0.75 135.00 142.85 1up6 n PRO 81 Ca 0.05 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1up6 n PRO 81 Cb 0.37 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1up6 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1up6 n GLY 82 N 4.08 0.77 7.00 -1.23 0.00 -1.26 -4.81 105.19 109.74 1up6 n GLY 82 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1up6 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1up6 n GLY 83 N -2.16 -0.65 0.22 -0.02 0.00 0.07 -1.57 105.19 101.08 1up6 n GLY 83 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.11 1up6 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1up6 h LEU 84 N 0.00 0.00 -1.06 0.99 3.38 -1.92 -2.03 115.31 114.66 1up6 h LEU 84 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1up6 h LEU 84 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1up6 h LEU 84 CO 0.00 0.25 0.47 0.07 0.09 0.00 0.00 178.44 179.32 1up6 h LYS 85 N 0.00 1.11 -0.22 1.13 5.09 -1.97 0.97 116.57 122.69 1up6 h LYS 85 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.63 1up6 h LYS 85 Cb 0.68 -0.23 -0.01 0.00 0.10 0.00 0.00 32.23 32.77 1up6 h LYS 85 CO 0.03 0.80 0.14 0.78 -2.09 0.00 0.00 179.45 179.11 1up6 h GLY 86 N 1.15 0.31 0.53 0.07 0.00 -0.56 -1.71 103.07 102.86 1up6 h GLY 86 Ca 0.29 -0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.61 1up6 h GLY 86 CO -0.05 0.11 0.52 -0.09 0.00 0.00 0.00 176.54 177.02 1up6 h ARG 87 N 0.29 0.84 -0.52 4.80 2.43 -1.14 0.18 114.38 121.25 1up6 h ARG 87 Ca 0.08 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1up6 h ARG 87 Cb -0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1up6 h ARG 87 CO -0.02 0.55 0.07 1.49 -1.51 0.00 0.00 179.97 180.55 1up6 h GLU 88 N 0.86 0.83 -0.25 0.20 4.81 -0.55 -0.97 114.58 119.52 1up6 h GLU 88 Ca 0.42 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1up6 h GLU 88 Cb 0.37 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1up6 h GLU 88 CO -0.24 0.79 -0.46 -0.91 -0.73 0.00 0.00 179.01 177.45 1up6 h ASN 89 N 0.79 0.70 -0.80 1.04 2.35 -0.49 -1.22 115.58 117.94 1up6 h ASN 89 Ca 0.16 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1up6 h ASN 89 Cb 0.37 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1up6 h ASN 89 CO 0.01 1.05 0.48 0.44 -1.65 0.00 0.00 177.43 177.76 1up6 h ASP 90 N 0.52 0.97 0.28 5.81 3.32 -0.32 -1.99 116.42 125.01 1up6 h ASP 90 Ca 0.03 -0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.68 1up6 h ASP 90 Cb 1.00 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.31 1up6 h ASP 90 CO 0.09 0.75 -1.64 -0.33 -1.72 0.00 0.00 179.24 176.39 1up6 h GLU 91 N 1.12 0.38 0.16 3.56 5.08 -1.19 -3.35 114.58 120.34 1up6 h GLU 91 Ca 0.29 -0.65 -0.27 0.00 -1.00 0.00 0.00 59.36 57.72 1up6 h GLU 91 Cb -0.03 0.24 0.03 0.00 0.50 0.00 0.00 28.75 29.49 1up6 h GLU 91 CO -0.05 1.29 -1.17 0.78 -1.00 0.00 0.00 179.01 178.86 1up6 h GLY 92 N 0.86 0.58 0.69 -3.84 0.00 -1.13 -3.38 103.07 96.86 1up6 h GLY 92 Ca -0.30 -1.33 -0.01 0.00 0.00 0.00 0.00 47.33 45.69 1up6 h GLY 92 CO 0.19 1.17 -0.01 -2.22 0.00 0.00 0.00 176.54 175.67 1up6 h ILE 93 N 0.06 1.28 -0.65 2.60 2.04 -1.58 -3.07 117.51 118.20 1up6 h ILE 93 Ca -0.19 -0.86 0.16 0.00 1.00 0.00 0.00 64.86 64.97 1up6 h ILE 93 Cb 1.88 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.68 1up6 h ILE 93 CO 0.22 0.23 0.45 -0.65 0.00 0.00 0.00 178.15 178.41 1up6 h PRO 94 N -0.23 0.16 -0.75 2.37 0.11 -1.78 -2.61 132.00 129.27 1up6 h PRO 94 Ca 0.01 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.20 1up6 h PRO 94 Cb 0.38 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 1up6 h PRO 94 CO 0.00 0.11 0.49 -0.07 -0.21 0.00 0.00 178.00 178.32 1up6 h LEU 95 N 0.17 0.64 -1.11 2.35 4.07 -1.51 0.17 115.31 120.08 1up6 h LEU 95 Ca 0.31 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1up6 h LEU 95 Cb 1.01 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1up6 h LEU 95 CO -0.05 0.40 0.00 0.11 -1.08 0.00 0.00 178.44 177.82 1up6 h LYS 96 N 0.72 0.00 -0.52 1.13 1.57 -1.59 -2.22 116.57 115.66 1up6 h LYS 96 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1up6 h LYS 96 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1up6 h LYS 96 CO -0.12 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.42 1up6 n TYR 97 N -2.44 0.71 -1.10 -1.35 4.02 -0.01 -4.95 117.16 112.03 1up6 n TYR 97 Ca 0.01 -0.51 -0.04 0.00 -0.01 0.00 0.00 57.90 57.36 1up6 n TYR 97 Cb 0.20 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1up6 n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1up6 n GLY 98 N 1.00 0.66 3.79 2.72 0.00 -0.84 -5.03 105.19 107.50 1up6 n GLY 98 Ca 0.18 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1up6 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up6 s LEU 99 N -0.82 3.92 0.01 0.99 1.02 -0.83 -5.00 118.68 117.98 1up6 s LEU 99 Ca 0.00 0.13 -0.36 0.00 0.02 0.00 0.00 54.13 53.92 1up6 s LEU 99 Cb 0.00 -2.36 -0.15 0.00 0.02 0.00 0.00 46.19 43.70 1up6 s LEU 99 CO 0.00 0.25 1.55 -0.38 0.02 0.00 0.00 176.35 177.79 1up6 n ILE 100 N 0.99 0.14 -3.89 -0.59 2.08 -1.26 -3.27 119.36 113.56 1up6 n ILE 100 Ca -0.12 -0.02 -0.35 0.00 0.56 0.00 0.00 62.75 62.82 1up6 n ILE 100 Cb 0.52 -1.23 -0.14 0.00 -0.75 0.00 0.00 39.64 38.05 1up6 n ILE 100 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1up6 s GLY 101 N 1.66 1.71 -0.09 7.39 0.00 -1.26 -4.42 107.32 112.30 1up6 s GLY 101 Ca 0.87 -1.56 -0.24 0.00 0.00 0.00 0.00 44.72 43.78 1up6 s GLY 101 CO 0.49 0.61 0.56 1.62 0.00 0.00 0.00 173.10 176.38 1up6 s GLN 102 N 1.34 0.85 0.28 2.90 -0.44 -1.26 -4.72 119.66 118.62 1up6 s GLN 102 Ca -0.01 0.32 0.01 0.00 -2.50 0.00 0.00 55.36 53.18 1up6 s GLN 102 Cb -0.18 0.40 0.56 0.00 -1.64 0.00 0.00 33.01 32.16 1up6 s GLN 102 CO -0.02 -0.22 1.80 1.49 0.50 0.00 0.00 175.29 178.84 1up6 h GLU 103 N 3.88 0.79 0.00 1.67 4.81 -1.88 -3.27 114.58 120.58 1up6 h GLU 103 Ca -0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1up6 h GLU 103 Cb 1.16 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1up6 h GLU 103 CO 0.31 0.52 0.00 0.25 -0.73 0.00 0.00 179.01 179.37 1up6 n THR 104 N -4.74 0.00 -4.56 0.32 -2.24 -1.26 -3.86 114.28 97.94 1up6 n THR 104 Ca 0.19 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 1up6 n THR 104 Cb 0.41 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 69.59 1up6 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1up6 s THR 105 N -0.42 1.58 0.00 4.28 2.01 -1.24 -4.51 115.64 117.34 1up6 s THR 105 Ca 0.00 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1up6 s THR 105 Cb 0.00 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1up6 s THR 105 CO 0.00 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1up6 n GLY 106 N 4.10 -0.56 0.35 4.40 0.00 -1.26 -4.13 105.19 108.08 1up6 n GLY 106 Ca -0.19 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.72 1up6 n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1up6 h VAL 107 N 0.00 0.98 -0.03 1.61 2.07 -1.81 -0.11 116.25 118.95 1up6 h VAL 107 Ca 0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1up6 h VAL 107 Cb 0.00 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1up6 h VAL 107 CO 0.00 0.12 -0.18 1.23 0.02 0.00 0.00 177.57 178.76 1up6 h GLY 108 N 0.68 0.06 1.71 2.17 0.00 -1.70 -2.18 103.07 103.81 1up6 h GLY 108 Ca 0.32 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.43 1up6 h GLY 108 CO -0.11 0.03 -0.80 -1.33 0.00 0.00 0.00 176.54 174.33 1up6 h GLY 109 N 0.63 0.30 0.93 4.60 0.00 -1.10 -2.24 103.07 106.19 1up6 h GLY 109 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1up6 h GLY 109 CO 0.02 0.43 0.11 -2.75 0.00 0.00 0.00 176.54 174.35 1up6 h PHE 110 N 0.17 0.21 -0.15 5.60 3.57 -0.76 0.34 116.94 125.93 1up6 h PHE 110 Ca -0.04 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 1up6 h PHE 110 Cb 1.40 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 1up6 h PHE 110 CO 0.03 0.12 -0.64 0.66 -2.23 0.00 0.00 178.31 176.26 1up6 h SER 111 N 0.24 0.62 -0.65 0.41 4.64 -1.45 -2.20 113.55 115.16 1up6 h SER 111 Ca 0.09 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 1up6 h SER 111 Cb 0.01 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 1up6 h SER 111 CO -0.05 1.10 0.40 0.00 -0.87 0.00 0.00 176.83 177.41 1up6 h ALA 112 N 0.90 0.85 0.00 5.18 0.00 -1.26 -2.43 119.26 122.51 1up6 h ALA 112 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1up6 h ALA 112 Cb 1.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1up6 h ALA 112 CO 0.12 0.15 -0.15 0.00 0.00 0.00 0.00 179.25 179.38 1up6 h ALA 113 N 1.29 -0.17 -0.22 0.00 0.00 -0.64 -1.86 119.26 117.65 1up6 h ALA 113 Ca 0.27 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1up6 h ALA 113 Cb 0.03 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1up6 h ALA 113 CO -0.11 -0.64 0.15 -0.07 0.00 0.00 0.00 179.25 178.58 1up6 h LEU 114 N -0.24 0.24 -0.59 0.00 3.38 -1.28 -0.81 115.31 116.00 1up6 h LEU 114 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1up6 h LEU 114 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1up6 h LEU 114 CO -0.14 0.17 -0.36 0.03 0.09 0.00 0.00 178.44 178.23 1up6 h ARG 115 N 0.28 0.72 0.01 1.13 3.08 -1.11 -3.33 114.38 115.16 1up6 h ARG 115 Ca 0.08 -0.35 -0.26 0.00 0.07 0.00 0.00 59.98 59.52 1up6 h ARG 115 Cb -0.00 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.06 1up6 h ARG 115 CO -0.02 0.97 -1.05 0.00 -1.07 0.00 0.00 179.97 178.80 1up6 h ALA 116 N 1.00 0.16 -0.50 0.04 0.00 -0.36 -3.39 119.26 116.21 1up6 h ALA 116 Ca 0.06 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 54.32 1up6 h ALA 116 Cb 0.89 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1up6 h ALA 116 CO 0.08 0.72 0.19 0.74 0.00 0.00 0.00 179.25 180.98 1up6 h PHE 117 N 0.35 0.34 -0.60 0.00 0.04 -1.37 0.07 116.94 115.77 1up6 h PHE 117 Ca -0.13 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 1up6 h PHE 117 Cb 1.70 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.74 1up6 h PHE 117 CO 0.10 0.13 0.04 -1.35 -0.60 0.00 0.00 178.31 176.62 1up6 h PRO 118 N 0.38 1.01 -0.10 1.51 0.11 -1.78 -0.37 132.00 132.78 1up6 h PRO 118 Ca 0.23 -0.29 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1up6 h PRO 118 Cb 0.23 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1up6 h PRO 118 CO -0.22 0.97 0.01 0.82 -0.21 0.00 0.00 178.00 179.37 1up6 h ILE 119 N 0.94 1.24 -0.08 4.15 2.04 -1.56 -2.37 117.51 121.87 1up6 h ILE 119 Ca 0.18 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1up6 h ILE 119 Cb 0.49 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1up6 h ILE 119 CO 0.02 0.21 -0.40 -0.37 0.00 0.00 0.00 178.15 177.62 1up6 h VAL 120 N -0.10 1.30 -0.66 1.67 -1.51 -0.88 -0.59 116.25 115.49 1up6 h VAL 120 Ca 0.03 -1.46 -0.02 0.00 -1.23 0.00 0.00 66.70 64.02 1up6 h VAL 120 Cb 0.32 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 1up6 h VAL 120 CO 0.00 0.43 0.34 -0.08 -1.23 0.00 0.00 177.57 177.03 1up6 h GLU 121 N 0.15 0.93 -0.75 5.19 4.81 -1.07 0.19 114.58 124.04 1up6 h GLU 121 Ca 0.01 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1up6 h GLU 121 Cb 0.77 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1up6 h GLU 121 CO 0.06 0.72 0.33 1.49 -0.73 0.00 0.00 179.01 180.89 1up6 h GLU 122 N 0.91 1.10 -0.01 1.92 4.81 -1.12 -2.72 114.58 119.46 1up6 h GLU 122 Ca 0.23 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 1up6 h GLU 122 Cb 0.08 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.29 1up6 h GLU 122 CO -0.03 0.87 -0.84 1.88 -0.73 0.00 0.00 179.01 180.16 1up6 h TYR 123 N 1.06 0.86 -0.67 0.92 0.05 -0.53 -2.54 116.97 116.13 1up6 h TYR 123 Ca 0.25 -0.46 -0.03 0.00 0.05 0.00 0.00 58.73 58.54 1up6 h TYR 123 Cb 0.16 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1up6 h TYR 123 CO 0.01 1.29 0.32 0.28 -1.05 0.00 0.00 178.16 179.01 1up6 h VAL 124 N 0.19 1.23 -0.20 -2.88 2.07 -0.73 -1.57 116.25 114.36 1up6 h VAL 124 Ca -0.10 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1up6 h VAL 124 Cb 1.52 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1up6 h VAL 124 CO 0.17 0.26 -0.14 -0.78 0.02 0.00 0.00 177.57 177.10 1up6 h ASP 125 N 0.92 -0.44 -0.60 0.57 3.58 -1.45 -0.45 116.42 118.55 1up6 h ASP 125 Ca 0.23 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.73 1up6 h ASP 125 Cb 0.12 0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1up6 h ASP 125 CO -0.03 -0.18 0.21 0.74 -2.88 0.00 0.00 179.24 177.10 1up6 h THR 126 N -0.14 1.24 0.09 2.25 2.02 -1.22 -1.93 112.91 115.23 1up6 h THR 126 Ca 0.12 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1up6 h THR 126 Cb 0.31 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1up6 h THR 126 CO -0.28 0.30 -0.10 0.58 0.37 0.00 0.00 175.52 176.38 1up6 h VAL 127 N 0.84 0.76 -0.86 3.16 2.07 -1.04 -2.42 116.25 118.76 1up6 h VAL 127 Ca 0.20 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.87 1up6 h VAL 127 Cb 0.25 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 30.68 1up6 h VAL 127 CO -0.01 0.00 0.44 -0.09 0.02 0.00 0.00 177.57 177.93 1up6 h ARG 128 N -0.23 0.58 -0.01 1.57 2.43 -0.99 -1.06 114.38 116.68 1up6 h ARG 128 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1up6 h ARG 128 Cb 0.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1up6 h ARG 128 CO -0.04 0.39 -0.04 1.63 -1.51 0.00 0.00 179.97 180.40 1up6 n LYS 129 N -4.89 1.23 0.00 0.20 5.02 -0.73 -4.46 118.16 114.53 1up6 n LYS 129 Ca 0.18 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 1up6 n LYS 129 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1up6 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1up6 n THR 130 N -0.44 0.00 0.09 -0.18 -2.24 -0.51 -5.00 114.28 106.00 1up6 n THR 130 Ca 0.19 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 1up6 n THR 130 Cb 0.27 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1up6 n THR 130 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1up6 n SER 131 N -0.33 0.76 -3.93 3.42 3.41 -0.61 -4.92 113.62 111.42 1up6 n SER 131 Ca 0.00 0.30 -0.31 0.00 -0.26 0.00 0.00 58.87 58.59 1up6 n SER 131 Cb 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1up6 n SER 131 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1up6 n ASN 132 N -2.65 -4.12 -4.72 4.04 3.02 -0.57 -4.95 115.26 105.31 1up6 n ASN 132 Ca -0.01 -0.79 -0.34 0.00 -0.03 0.00 0.00 54.58 53.40 1up6 n ASN 132 Cb 0.58 -3.34 0.10 0.00 -0.61 0.00 0.00 39.78 36.51 1up6 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up6 s ALA 133 N -3.22 2.08 -0.08 5.41 0.00 -1.26 -5.00 121.76 119.69 1up6 s ALA 133 Ca 0.65 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 1up6 s ALA 133 Cb -0.34 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1up6 s ALA 133 CO 0.80 -1.94 1.24 0.99 0.00 0.00 0.00 175.76 176.85 1up6 s THR 134 N -1.95 4.21 -0.12 0.00 2.01 -0.96 -4.89 115.64 113.95 1up6 s THR 134 Ca 0.75 1.52 -0.18 0.00 0.31 0.00 0.00 61.69 64.09 1up6 s THR 134 Cb -0.30 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1up6 s THR 134 CO 0.46 -0.04 0.49 -0.63 -0.69 0.00 0.00 174.62 174.20 1up6 s ILE 135 N 2.64 5.18 -0.27 1.82 1.01 -0.38 -1.26 121.20 129.94 1up6 s ILE 135 Ca 0.56 0.97 -0.05 0.00 0.00 0.00 0.00 60.65 62.13 1up6 s ILE 135 Cb -0.24 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.40 1up6 s ILE 135 CO 0.20 0.32 0.04 -0.69 0.00 0.00 0.00 174.94 174.80 1up6 s VAL 136 N 0.68 3.72 -0.21 2.92 1.01 0.93 -1.34 120.40 128.11 1up6 s VAL 136 Ca 0.26 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1up6 s VAL 136 Cb -0.15 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1up6 s VAL 136 CO 0.11 0.17 0.08 0.21 0.00 0.00 0.00 175.10 175.67 1up6 s ASN 137 N 1.48 5.65 -0.03 3.32 2.47 -0.29 -0.93 114.94 126.60 1up6 s ASN 137 Ca 0.03 0.04 0.07 0.00 0.42 0.00 0.00 52.86 53.42 1up6 s ASN 137 Cb -0.16 -1.99 -0.11 0.00 -1.45 0.00 0.00 41.25 37.54 1up6 s ASN 137 CO 0.00 0.11 0.12 0.49 -3.72 0.00 0.00 177.10 174.11 1up6 n PHE 138 N 3.94 0.00 -1.66 0.43 3.72 0.12 -0.86 117.46 123.16 1up6 n PHE 138 Ca -0.16 0.00 -0.56 0.00 -0.05 0.00 0.00 57.45 56.68 1up6 n PHE 138 Cb 0.52 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.77 1up6 n PHE 138 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1up6 n THR 139 N -1.91 0.16 -3.21 4.37 -1.04 -1.08 -4.69 114.28 106.87 1up6 n THR 139 Ca -0.04 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.61 1up6 n THR 139 Cb 0.36 -0.98 -0.06 0.00 -1.82 0.00 0.00 70.33 67.83 1up6 n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1up6 s ASN 140 N 2.13 6.76 -0.25 8.00 0.01 -1.26 -3.00 114.94 127.33 1up6 s ASN 140 Ca 0.93 1.20 -0.22 0.00 -0.71 0.00 0.00 52.86 54.05 1up6 s ASN 140 Cb -1.05 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 38.26 1up6 s ASN 140 CO 0.58 -0.15 0.71 -2.16 -1.51 0.00 0.00 177.10 174.57 1up6 s PRO 141 N -2.86 4.14 0.10 -0.60 0.04 -1.26 -4.75 135.00 129.82 1up6 s PRO 141 Ca 0.52 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 1up6 s PRO 141 Cb -0.11 -3.65 -0.06 0.00 0.04 0.00 0.00 34.50 30.73 1up6 s PRO 141 CO 0.18 -0.45 1.60 1.03 0.04 0.00 0.00 177.00 179.40 1up6 h SER 142 N 7.79 0.44 -0.64 6.66 0.87 -1.81 0.43 113.55 127.29 1up6 h SER 142 Ca -0.25 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 59.99 1up6 h SER 142 Cb 1.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1up6 h SER 142 CO 0.81 0.55 0.06 1.23 -0.53 0.00 0.00 176.83 178.95 1up6 h GLY 143 N 0.30 1.17 0.83 5.77 0.00 -1.89 -0.91 103.07 108.34 1up6 h GLY 143 Ca 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1up6 h GLY 143 CO 0.00 0.76 0.02 0.84 0.00 0.00 0.00 176.54 178.16 1up6 h HIS 144 N 1.00 0.34 -1.00 5.60 6.17 -1.88 -1.16 115.15 124.22 1up6 h HIS 144 Ca 0.19 -0.05 0.07 0.00 0.71 0.00 0.00 60.37 61.28 1up6 h HIS 144 Cb 0.50 -0.09 -0.07 0.00 2.52 0.00 0.00 27.41 30.27 1up6 h HIS 144 CO 0.04 0.48 0.64 0.82 0.71 0.00 0.00 177.93 180.62 1up6 h ILE 145 N 0.09 1.09 -0.65 6.26 2.04 -0.86 -2.36 117.51 123.12 1up6 h ILE 145 Ca 0.06 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1up6 h ILE 145 Cb 0.33 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1up6 h ILE 145 CO 0.01 0.21 0.38 0.74 0.00 0.00 0.00 178.15 179.49 1up6 h THR 146 N 1.17 1.20 -0.58 -0.27 2.02 -0.66 -1.27 112.91 114.52 1up6 h THR 146 Ca 0.43 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1up6 h THR 146 Cb 0.17 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1up6 h THR 146 CO -0.17 0.21 0.33 -0.08 0.37 0.00 0.00 175.52 176.17 1up6 h GLU 147 N 0.89 0.62 0.15 6.66 4.57 -0.97 0.19 114.58 126.68 1up6 h GLU 147 Ca 0.23 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1up6 h GLU 147 Cb 0.01 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1up6 h GLU 147 CO -0.04 0.41 -0.11 0.35 -1.18 0.00 0.00 179.01 178.44 1up6 h PHE 148 N 0.63 -0.28 -0.26 0.92 3.57 -0.95 -1.63 116.94 118.95 1up6 h PHE 148 Ca 0.24 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1up6 h PHE 148 Cb 0.09 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1up6 h PHE 148 CO -0.08 -0.17 -0.07 0.28 -2.23 0.00 0.00 178.31 176.05 1up6 h VAL 149 N -0.26 1.28 -0.52 1.41 2.07 -1.04 -1.63 116.25 117.56 1up6 h VAL 149 Ca -0.01 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 1up6 h VAL 149 Cb 0.23 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1up6 h VAL 149 CO -0.00 0.34 -0.04 0.03 0.02 0.00 0.00 177.57 177.92 1up6 h ARG 150 N 0.26 0.95 0.00 1.57 2.47 -0.97 0.34 114.38 119.01 1up6 h ARG 150 Ca 0.07 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1up6 h ARG 150 Cb 0.54 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1up6 h ARG 150 CO 0.03 0.99 -0.68 0.09 0.56 0.00 0.00 179.97 180.95 1up6 n ASN 151 N -4.25 0.78 -0.02 7.04 3.02 -0.62 -3.70 115.26 117.52 1up6 n ASN 151 Ca 0.01 -0.67 -0.03 0.00 -0.03 0.00 0.00 54.58 53.86 1up6 n ASN 151 Cb 0.35 1.07 -0.01 0.00 -0.61 0.00 0.00 39.78 40.59 1up6 n ASN 151 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1up6 n TYR 152 N -1.36 0.00 0.39 3.10 4.02 -0.66 -4.65 117.16 118.00 1up6 n TYR 152 Ca 0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.03 1up6 n TYR 152 Cb 0.20 -0.11 0.31 0.00 -0.02 0.00 0.00 39.34 39.72 1up6 n TYR 152 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1up6 h LEU 153 N -0.11 0.00 -2.28 7.72 3.38 -1.45 -3.48 115.31 119.10 1up6 h LEU 153 Ca -0.08 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.48 1up6 h LEU 153 Cb 1.07 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.88 1up6 h LEU 153 CO -0.05 0.00 -0.87 -0.62 0.09 0.00 0.00 178.44 176.99 1up6 n GLU 154 N -2.74 -3.36 -3.78 1.13 1.02 0.05 -4.98 120.64 107.99 1up6 n GLU 154 Ca 0.04 0.57 -0.37 0.00 -0.02 0.00 0.00 57.16 57.38 1up6 n GLU 154 Cb 0.47 -4.86 -0.13 0.00 -0.02 0.00 0.00 31.44 26.90 1up6 n GLU 154 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1up6 s TYR 155 N -3.62 3.24 0.15 -0.32 5.04 -0.84 -5.02 117.35 115.99 1up6 s TYR 155 Ca 0.18 -1.45 -0.14 0.00 -2.44 0.00 0.00 57.07 53.23 1up6 s TYR 155 Cb -0.05 -2.24 0.04 0.00 0.35 0.00 0.00 41.96 40.05 1up6 s TYR 155 CO 0.83 -0.72 1.71 1.49 -1.34 0.00 0.00 175.55 177.52 1up6 h GLU 156 N 8.18 0.75 -2.72 4.97 4.81 -1.89 -3.34 114.58 125.34 1up6 h GLU 156 Ca -0.24 -0.13 -0.66 0.00 -0.13 0.00 0.00 59.36 58.19 1up6 h GLU 156 Cb 1.08 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1up6 h GLU 156 CO 0.59 0.66 2.80 1.63 -0.73 0.00 0.00 179.01 183.96 1up6 n LYS 157 N -4.56 3.93 -3.80 1.92 5.02 -1.26 -4.79 118.16 114.62 1up6 n LYS 157 Ca 0.02 -2.69 -0.26 0.00 -2.02 0.00 0.00 58.31 53.36 1up6 n LYS 157 Cb 0.15 -2.64 -0.17 0.00 -0.02 0.00 0.00 35.03 32.35 1up6 n LYS 157 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1up6 s PHE 158 N 0.44 1.15 -0.21 2.13 2.19 -1.25 -1.25 117.98 121.18 1up6 s PHE 158 Ca 0.62 -0.74 0.02 0.00 0.33 0.00 0.00 56.93 57.16 1up6 s PHE 158 Cb 0.20 -1.06 0.04 0.00 -1.31 0.00 0.00 43.02 40.89 1up6 s PHE 158 CO -0.08 -0.53 -0.15 0.42 1.83 0.00 0.00 175.22 176.70 1up6 s ILE 159 N 1.81 2.04 0.05 3.12 1.01 -0.45 -4.92 121.20 123.87 1up6 s ILE 159 Ca 0.01 -1.22 -0.27 0.00 0.00 0.00 0.00 60.65 59.17 1up6 s ILE 159 Cb -0.15 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1up6 s ILE 159 CO -0.07 0.27 0.86 -0.83 0.00 0.00 0.00 174.94 175.17 1up6 s GLY 160 N 1.23 2.87 0.29 6.18 0.00 -1.14 -1.14 107.32 115.61 1up6 s GLY 160 Ca -0.01 0.41 0.10 0.00 0.00 0.00 0.00 44.72 45.21 1up6 s GLY 160 CO -0.09 1.31 -0.13 -2.27 0.00 0.00 0.00 173.10 171.92 1up6 s LEU 161 N 0.18 2.62 0.21 0.66 2.96 -0.04 -0.18 118.68 125.10 1up6 s LEU 161 Ca 0.43 -1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.06 1up6 s LEU 161 Cb -0.21 -0.94 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1up6 s LEU 161 CO 0.26 -0.14 0.53 0.00 -1.32 0.00 0.00 176.35 175.69 1up6 n ASN 163 N -0.36 1.05 0.06 0.00 2.04 -1.26 -4.62 115.26 112.17 1up6 n ASN 163 Ca -0.08 -0.95 -0.18 0.00 -0.44 0.00 0.00 54.58 52.93 1up6 n ASN 163 Cb 0.62 0.82 -0.09 0.00 -2.53 0.00 0.00 39.78 38.60 1up6 n ASN 163 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1up6 h VAL 164 N 0.30 1.33 -0.13 3.53 -1.51 -1.99 -2.59 116.25 115.19 1up6 h VAL 164 Ca 0.00 -2.37 0.04 0.00 -1.23 0.00 0.00 66.70 63.14 1up6 h VAL 164 Cb 0.53 2.45 -0.05 0.00 -2.13 0.00 0.00 31.29 32.09 1up6 h VAL 164 CO 0.00 0.72 -0.18 -0.65 -1.23 0.00 0.00 177.57 176.23 1up6 h PRO 165 N 0.31 -0.22 -0.55 5.19 0.11 -1.95 0.10 132.00 134.99 1up6 h PRO 165 Ca -0.12 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 1up6 h PRO 165 Cb 1.69 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.83 1up6 h PRO 165 CO 0.19 -0.14 -0.03 0.97 -0.21 0.00 0.00 178.00 178.78 1up6 h ILE 166 N -0.22 1.27 -0.59 4.15 6.09 -1.84 -0.22 117.51 126.15 1up6 h ILE 166 Ca 0.10 -1.17 -0.04 0.00 -1.37 0.00 0.00 64.86 62.38 1up6 h ILE 166 Cb 0.37 0.91 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 1up6 h ILE 166 CO -0.27 0.42 0.22 0.78 -3.07 0.00 0.00 178.15 176.23 1up6 h ASN 167 N 0.88 0.83 0.15 2.19 2.35 -1.34 0.39 115.58 121.03 1up6 h ASN 167 Ca 0.15 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1up6 h ASN 167 Cb 0.59 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1up6 h ASN 167 CO 0.04 0.79 -0.07 0.15 -1.65 0.00 0.00 177.43 176.68 1up6 h PHE 168 N 0.82 -0.19 -0.59 1.19 3.04 -0.48 -0.98 116.94 119.75 1up6 h PHE 168 Ca 0.19 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1up6 h PHE 168 Cb 0.23 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 1up6 h PHE 168 CO 0.01 -0.03 0.27 0.82 -2.02 0.00 0.00 178.31 177.36 1up6 h ILE 169 N -0.30 0.88 -0.64 1.41 2.04 -0.96 -1.00 117.51 118.94 1up6 h ILE 169 Ca -0.02 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1up6 h ILE 169 Cb 0.24 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1up6 h ILE 169 CO 0.03 0.09 0.38 -0.09 0.00 0.00 0.00 178.15 178.56 1up6 h ARG 170 N 0.51 0.71 -0.22 2.37 2.43 -0.69 0.20 114.38 119.68 1up6 h ARG 170 Ca 0.28 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1up6 h ARG 170 Cb 0.25 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1up6 h ARG 170 CO -0.22 0.47 0.04 1.49 -1.51 0.00 0.00 179.97 180.24 1up6 h GLU 171 N 0.73 0.13 -0.34 0.20 4.81 -0.55 -2.22 114.58 117.33 1up6 h GLU 171 Ca 0.27 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1up6 h GLU 171 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1up6 h GLU 171 CO -0.13 0.08 0.03 0.82 -0.73 0.00 0.00 179.01 179.08 1up6 h ILE 172 N 0.13 1.25 -0.72 2.32 1.08 -0.48 -3.00 117.51 118.08 1up6 h ILE 172 Ca 0.10 -0.90 0.07 0.00 -0.39 0.00 0.00 64.86 63.74 1up6 h ILE 172 Cb 0.10 1.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 1up6 h ILE 172 CO -0.14 0.30 0.41 0.00 -0.69 0.00 0.00 178.15 178.03 1up6 h ALA 173 N 0.88 0.99 0.00 1.87 0.00 -0.55 -1.85 119.26 120.60 1up6 h ALA 173 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1up6 h ALA 173 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1up6 h ALA 173 CO 0.01 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.49 1up6 n GLU 174 N -4.77 0.73 0.00 0.00 0.28 -0.84 0.13 120.64 116.17 1up6 n GLU 174 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1up6 n GLU 174 Cb 0.20 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1up6 n GLU 174 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1up6 n PHE 176 N 1.60 0.00 -3.18 -1.84 3.72 -0.69 -4.83 117.46 112.24 1up6 n PHE 176 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1up6 n PHE 176 Cb 0.37 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.97 1up6 n PHE 176 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1up6 n SER 177 N 0.00 -6.58 -4.20 4.37 7.64 0.12 -5.03 113.62 109.93 1up6 n SER 177 Ca 0.00 -0.65 -0.12 0.00 1.01 0.00 0.00 58.87 59.11 1up6 n SER 177 Cb 0.00 -5.08 -0.10 0.00 -1.01 0.00 0.00 64.21 58.02 1up6 n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up6 s ALA 178 N -3.35 1.20 0.58 -0.43 0.00 -0.16 -5.13 121.76 114.47 1up6 s ALA 178 Ca 0.42 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1up6 s ALA 178 Cb -0.05 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.41 1up6 s ALA 178 CO 0.72 -0.58 0.95 1.03 0.00 0.00 0.00 175.76 177.87 1up6 s ARG 179 N -4.15 3.44 0.29 0.00 0.52 -1.26 -4.55 118.95 113.23 1up6 s ARG 179 Ca 0.39 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 56.11 1up6 s ARG 179 Cb 0.07 -2.18 0.67 0.00 0.52 0.00 0.00 34.95 34.03 1up6 s ARG 179 CO 0.12 -0.52 1.76 -0.07 0.02 0.00 0.00 175.30 176.61 1up6 h LEU 180 N -0.18 0.65 -0.08 2.53 4.07 -1.95 -1.94 115.31 118.41 1up6 h LEU 180 Ca -0.45 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1up6 h LEU 180 Cb 1.21 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1up6 h LEU 180 CO 0.62 0.23 -0.16 -1.84 -1.08 0.00 0.00 178.44 176.20 1up6 n GLU 181 N -4.83 0.26 0.16 1.13 0.28 -1.26 -2.86 120.64 113.52 1up6 n GLU 181 Ca 0.21 -0.08 0.13 0.00 -0.16 0.00 0.00 57.16 57.26 1up6 n GLU 181 Cb 0.54 -1.50 0.57 0.00 1.43 0.00 0.00 31.44 32.47 1up6 n GLU 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1up6 h ASP 182 N 0.20 0.00 -3.63 -1.84 3.32 -1.73 -3.43 116.42 109.31 1up6 h ASP 182 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1up6 h ASP 182 Cb 0.44 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.85 1up6 h ASP 182 CO 0.00 0.00 -0.36 -0.69 -1.72 0.00 0.00 179.24 176.47 1up6 s VAL 183 N -3.44 5.27 -0.06 -1.35 1.01 -1.14 -1.03 120.40 119.65 1up6 s VAL 183 Ca 0.02 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1up6 s VAL 183 Cb 0.09 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1up6 s VAL 183 CO 0.37 0.26 -0.11 0.12 0.00 0.00 0.00 175.10 175.74 1up6 s PHE 184 N 1.45 1.32 0.04 5.22 2.19 0.11 -5.00 117.98 123.31 1up6 s PHE 184 Ca 0.12 -0.47 0.08 0.00 0.33 0.00 0.00 56.93 57.00 1up6 s PHE 184 Cb -0.15 -0.98 -0.03 0.00 -1.31 0.00 0.00 43.02 40.55 1up6 s PHE 184 CO 0.08 -0.25 -0.22 -0.51 1.83 0.00 0.00 175.22 176.14 1up6 s LEU 185 N 0.69 2.40 -0.46 6.12 1.02 -1.26 -0.61 118.68 126.58 1up6 s LEU 185 Ca -0.14 -0.51 -0.18 0.00 0.02 0.00 0.00 54.13 53.32 1up6 s LEU 185 Cb -0.15 -1.41 0.04 0.00 0.02 0.00 0.00 46.19 44.69 1up6 s LEU 185 CO 0.03 0.26 0.54 -0.75 0.02 0.00 0.00 176.35 176.45 1up6 s LYS 186 N -1.36 3.13 -0.02 1.70 2.20 -0.52 -4.91 119.74 119.96 1up6 s LYS 186 Ca 0.13 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1up6 s LYS 186 Cb -0.10 -4.02 0.03 0.00 -1.51 0.00 0.00 37.83 32.22 1up6 s LYS 186 CO 0.04 -1.02 0.02 -0.47 -0.36 0.00 0.00 175.35 173.56 1up6 s TYR 187 N 2.41 0.09 0.08 4.03 6.14 -1.26 -0.95 117.35 127.90 1up6 s TYR 187 Ca 0.15 0.09 -0.26 0.00 0.64 0.00 0.00 57.07 57.69 1up6 s TYR 187 Cb -0.18 -0.26 0.07 0.00 0.42 0.00 0.00 41.96 42.02 1up6 s TYR 187 CO 0.14 -0.09 0.65 1.52 0.64 0.00 0.00 175.55 178.40 1up6 s TYR 188 N 0.98 -0.56 -5.00 4.97 1.13 -0.77 -4.35 117.35 113.75 1up6 s TYR 188 Ca -0.09 0.57 0.00 0.00 -1.41 0.00 0.00 57.07 56.14 1up6 s TYR 188 Cb -0.12 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1up6 s TYR 188 CO -0.03 -0.75 0.00 0.41 -2.51 0.00 0.00 175.55 172.67 1up6 n GLY 189 N 0.03 0.63 3.90 5.49 0.00 -1.22 -1.13 105.19 112.89 1up6 n GLY 189 Ca -0.17 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 1up6 n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up6 s LEU 190 N 0.00 3.97 -0.02 0.99 1.02 -0.20 -0.60 118.68 123.84 1up6 s LEU 190 Ca 0.00 -0.18 -0.36 0.00 0.02 0.00 0.00 54.13 53.61 1up6 s LEU 190 Cb 0.00 -2.56 -0.14 0.00 0.02 0.00 0.00 46.19 43.50 1up6 s LEU 190 CO 0.00 -0.17 1.63 -3.20 0.02 0.00 0.00 176.35 174.64 1up6 n ASN 191 N -1.36 2.65 -1.57 2.29 4.05 -1.26 -0.22 115.26 119.84 1up6 n ASN 191 Ca -0.06 1.06 -0.17 0.00 0.45 0.00 0.00 54.58 55.87 1up6 n ASN 191 Cb 0.58 -1.29 -0.04 0.00 1.23 0.00 0.00 39.78 40.26 1up6 n ASN 191 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1up6 n HIS 192 N 4.46 -0.37 -2.73 1.20 8.25 -1.26 -4.86 115.22 119.90 1up6 n HIS 192 Ca 0.21 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.59 1up6 n HIS 192 Cb 0.23 -3.11 0.10 0.00 1.12 0.00 0.00 29.99 28.33 1up6 n HIS 192 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1up6 n LEU 193 N -2.12 -1.98 -4.60 2.41 7.94 0.70 -4.63 117.00 114.71 1up6 n LEU 193 Ca -0.18 -3.64 -0.25 0.00 -1.11 0.00 0.00 56.01 50.83 1up6 n LEU 193 Cb 0.59 0.52 -0.09 0.00 0.53 0.00 0.00 43.42 44.97 1up6 n LEU 193 CO 0.24 2.00 -0.32 -0.94 -1.11 0.00 0.00 177.39 177.25 1up6 s SER 194 N -1.32 4.01 -0.01 1.96 1.04 -1.17 -1.04 113.70 117.17 1up6 s SER 194 Ca 0.23 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1up6 s SER 194 Cb 0.34 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1up6 s SER 194 CO -0.07 -0.26 0.05 -0.36 0.98 0.00 0.00 173.24 173.59 1up6 s PHE 195 N -2.57 -0.02 -0.13 5.02 0.40 -0.29 -1.82 117.98 118.58 1up6 s PHE 195 Ca 0.34 0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1up6 s PHE 195 Cb 0.02 -0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.54 1up6 s PHE 195 CO 0.18 -0.07 -0.19 0.42 0.70 0.00 0.00 175.22 176.27 1up6 s ILE 196 N -0.24 2.43 -0.17 0.64 1.01 0.78 -1.85 121.20 123.78 1up6 s ILE 196 Ca -0.03 -0.87 0.13 0.00 0.00 0.00 0.00 60.65 59.88 1up6 s ILE 196 Cb -0.02 -1.98 -0.20 0.00 0.01 0.00 0.00 42.46 40.27 1up6 s ILE 196 CO 0.00 0.54 0.02 1.21 0.00 0.00 0.00 174.94 176.71 1up6 n GLU 197 N 3.74 1.14 -3.90 2.79 2.13 -0.12 -0.46 120.64 125.95 1up6 n GLU 197 Ca -0.19 0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.52 1up6 n GLU 197 Cb 0.52 -1.43 -0.13 0.00 0.27 0.00 0.00 31.44 30.66 1up6 n GLU 197 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1up6 s LYS 198 N -2.41 0.08 -0.11 5.31 -0.14 -1.23 -4.94 119.74 116.29 1up6 s LYS 198 Ca -0.11 -0.12 0.02 0.00 -1.36 0.00 0.00 55.97 54.40 1up6 s LYS 198 Cb 0.05 -0.00 0.01 0.00 -1.68 0.00 0.00 37.83 36.22 1up6 s LYS 198 CO 0.67 -0.00 -0.17 0.08 -0.76 0.00 0.00 175.35 175.16 1up6 s VAL 199 N -0.27 1.64 -0.10 3.17 1.01 -1.26 -1.44 120.40 123.15 1up6 s VAL 199 Ca -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1up6 s VAL 199 Cb -0.02 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1up6 s VAL 199 CO -0.00 0.47 -0.22 -0.36 0.00 0.00 0.00 175.10 174.99 1up6 s PHE 200 N 0.87 2.59 -0.17 5.22 0.08 0.22 -1.33 117.98 125.46 1up6 s PHE 200 Ca -0.08 -0.88 0.01 0.00 0.12 0.00 0.00 56.93 56.09 1up6 s PHE 200 Cb -0.15 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1up6 s PHE 200 CO -0.00 -0.32 -0.19 0.08 -0.10 0.00 0.00 175.22 174.69 1up6 s VAL 201 N 0.21 1.95 -1.61 -0.44 1.01 -0.13 -0.71 120.40 120.68 1up6 s VAL 201 Ca -0.14 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 1up6 s VAL 201 Cb -0.17 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.56 1up6 s VAL 201 CO 0.07 0.52 0.87 0.29 0.00 0.00 0.00 175.10 176.86 1up6 n LYS 202 N 4.63 -4.38 0.00 2.72 5.02 -0.20 -1.66 118.16 124.29 1up6 n LYS 202 Ca -0.20 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1up6 n LYS 202 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 1up6 n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1up6 n GLY 203 N -1.57 2.78 3.71 0.72 0.00 -1.26 -5.03 105.19 104.55 1up6 n GLY 203 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1up6 n GLY 203 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up6 s GLU 204 N -0.01 4.47 -0.34 1.61 2.12 -0.67 -4.99 118.70 120.88 1up6 s GLU 204 Ca 0.00 1.66 -0.29 0.00 0.36 0.00 0.00 54.97 56.70 1up6 s GLU 204 Cb 0.00 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1up6 s GLU 204 CO 0.00 -0.21 1.60 0.34 -0.54 0.00 0.00 175.26 176.45 1up6 s ASP 205 N 1.07 6.18 -0.10 -1.70 -1.08 -1.26 -0.95 116.67 118.82 1up6 s ASP 205 Ca 0.56 1.16 0.13 0.00 -0.52 0.00 0.00 52.55 53.89 1up6 s ASP 205 Cb -0.27 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 38.97 1up6 s ASP 205 CO 0.28 -1.50 1.22 1.33 0.52 0.00 0.00 175.17 177.02 1up6 n VAL 206 N 7.09 1.70 -0.05 1.11 0.24 -0.44 -4.78 118.33 123.19 1up6 n VAL 206 Ca 0.19 -1.72 -0.08 0.00 -2.04 0.00 0.00 64.34 60.70 1up6 n VAL 206 Cb 0.47 0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 1up6 n VAL 206 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1up6 h THR 207 N 0.83 0.76 -0.70 3.34 2.02 -1.87 -1.18 112.91 116.11 1up6 h THR 207 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1up6 h THR 207 Cb 0.99 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 1up6 h THR 207 CO 0.07 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 175.97 1up6 h GLU 208 N -0.00 0.58 0.00 6.66 3.07 -1.92 -1.20 114.58 121.76 1up6 h GLU 208 Ca 0.11 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1up6 h GLU 208 Cb 0.17 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1up6 h GLU 208 CO -0.24 0.38 -0.26 0.87 -1.40 0.00 0.00 179.01 178.36 1up6 h LYS 209 N 0.60 0.00 -0.22 2.33 1.57 -1.62 -1.39 116.57 117.83 1up6 h LYS 209 Ca 0.34 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.93 1up6 h LYS 209 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1up6 h LYS 209 CO -0.26 0.26 -0.62 0.28 -0.57 0.00 0.00 179.45 178.54 1up6 h VAL 210 N 0.00 1.28 0.02 0.50 2.07 -0.15 -2.01 116.25 117.96 1up6 h VAL 210 Ca -0.00 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 1up6 h VAL 210 Cb 0.53 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1up6 h VAL 210 CO 0.03 0.58 -0.01 -0.26 0.02 0.00 0.00 177.57 177.94 1up6 h PHE 211 N 0.57 -0.02 -0.87 1.57 0.04 -0.97 -1.65 116.94 115.61 1up6 h PHE 211 Ca -0.01 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.85 1up6 h PHE 211 Cb 1.24 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 39.32 1up6 h PHE 211 CO 0.08 0.03 0.52 0.93 -0.60 0.00 0.00 178.31 179.28 1up6 h GLU 212 N -0.07 0.85 0.00 1.51 5.08 -1.25 -2.65 114.58 118.05 1up6 h GLU 212 Ca -0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1up6 h GLU 212 Cb 0.06 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1up6 h GLU 212 CO 0.00 0.56 -0.62 -0.91 -1.00 0.00 0.00 179.01 177.05 1up6 h ASN 213 N 0.88 0.00 -0.05 1.42 2.35 -1.11 -2.41 115.58 116.66 1up6 h ASN 213 Ca 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.16 1up6 h ASN 213 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1up6 h ASN 213 CO -0.23 0.62 0.02 -0.07 -1.65 0.00 0.00 177.43 176.12 1up6 h LEU 214 N 0.00 0.09 -0.73 1.61 4.07 -0.97 -1.91 115.31 117.47 1up6 h LEU 214 Ca -0.01 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1up6 h LEU 214 Cb 1.37 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.06 1up6 h LEU 214 CO 0.08 0.09 0.07 0.11 -1.08 0.00 0.00 178.44 177.71 1up6 h LYS 215 N 0.11 1.04 0.00 1.13 1.57 -1.13 -3.05 116.57 116.23 1up6 h LYS 215 Ca 0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1up6 h LYS 215 Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1up6 h LYS 215 CO -0.00 0.97 0.00 -0.07 -0.57 0.00 0.00 179.45 179.78 1up6 h LEU 216 N 0.97 0.00 -9.81 2.94 3.38 -1.35 -3.47 115.31 107.97 1up6 h LEU 216 Ca 0.19 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.64 1up6 h LEU 216 Cb 0.46 0.00 0.22 0.00 0.09 0.00 0.00 40.66 41.43 1up6 h LEU 216 CO 0.02 0.00 -0.60 1.17 0.09 0.00 0.00 178.44 179.11 1up6 n LYS 217 N -2.73 -0.61 -3.70 1.13 4.81 -0.78 -5.12 118.16 111.16 1up6 n LYS 217 Ca 0.05 -0.14 -0.11 0.00 -0.87 0.00 0.00 58.31 57.24 1up6 n LYS 217 Cb 0.48 -1.87 -0.11 0.00 0.02 0.00 0.00 35.03 33.55 1up6 n LYS 217 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1up6 s LEU 218 N -1.64 -0.04 -0.30 3.14 2.96 -1.26 -5.06 118.68 116.48 1up6 s LEU 218 Ca 0.58 0.80 -0.36 0.00 -0.22 0.00 0.00 54.13 54.92 1up6 s LEU 218 Cb -0.20 1.17 -0.13 0.00 0.50 0.00 0.00 46.19 47.54 1up6 s LEU 218 CO 0.67 -0.19 2.04 0.00 -1.32 0.00 0.00 176.35 177.54 1up6 n ILE 221 N 4.42 0.27 -0.13 6.68 3.06 -1.26 -5.05 119.36 127.35 1up6 n ILE 221 Ca -0.22 -0.18 -0.12 0.00 -2.50 0.00 0.00 62.75 59.73 1up6 n ILE 221 Cb 0.54 -1.55 -0.02 0.00 0.54 0.00 0.00 39.64 39.15 1up6 n ILE 221 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 1up6 h PRO 222 N 10.60 0.88 0.00 9.51 0.11 -2.00 -2.86 132.00 148.24 1up6 h PRO 222 Ca -0.34 -0.41 0.00 0.00 0.11 0.00 0.00 66.00 65.35 1up6 h PRO 222 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1up6 h PRO 222 CO 1.00 1.06 0.00 -3.47 -0.21 0.00 0.00 178.00 176.38 1up6 n ASP 223 N -4.17 0.00 -1.05 -2.05 -0.08 -1.26 -0.58 116.55 107.35 1up6 n ASP 223 Ca -0.02 -0.90 0.08 0.00 -1.51 0.00 0.00 54.79 52.44 1up6 n ASP 223 Cb 0.47 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.20 1up6 n ASP 223 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1up6 n GLU 224 N -0.57 3.27 -4.53 -0.67 1.02 -1.08 -4.98 120.64 113.09 1up6 n GLU 224 Ca 0.02 -2.72 -0.25 0.00 -0.02 0.00 0.00 57.16 54.19 1up6 n GLU 224 Cb 0.01 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 29.54 1up6 n GLU 224 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1up6 s ASP 225 N -1.45 3.10 0.18 1.62 1.01 0.25 -5.08 116.67 116.30 1up6 s ASP 225 Ca 0.41 -1.36 -0.32 0.00 0.71 0.00 0.00 52.55 51.99 1up6 s ASP 225 Cb 0.30 -0.24 -0.11 0.00 1.01 0.00 0.00 42.92 43.89 1up6 s ASP 225 CO 0.13 -0.52 1.60 -0.36 0.21 0.00 0.00 175.17 176.24 1up6 s PHE 226 N -3.01 3.01 0.97 4.23 0.08 -1.26 -5.00 117.98 117.01 1up6 s PHE 226 Ca 0.36 0.57 -0.12 0.00 0.12 0.00 0.00 56.93 57.85 1up6 s PHE 226 Cb 0.09 -3.98 0.17 0.00 -0.57 0.00 0.00 43.02 38.73 1up6 s PHE 226 CO 0.17 -3.63 1.10 -1.25 -0.10 0.00 0.00 175.22 171.50 1up6 s PRO 227 N 1.05 0.67 0.16 0.24 0.04 -1.26 -4.95 135.00 130.95 1up6 s PRO 227 Ca 0.71 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 1up6 s PRO 227 Cb -0.45 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1up6 s PRO 227 CO 0.32 -2.57 1.79 1.15 0.04 0.00 0.00 177.00 177.74 1up6 h THR 228 N -1.77 1.00 0.00 1.26 2.02 -1.96 -2.78 112.91 110.68 1up6 h THR 228 Ca -0.53 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1up6 h THR 228 Cb 1.32 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1up6 h THR 228 CO 0.58 0.08 -0.00 4.11 0.37 0.00 0.00 175.52 180.66 1up6 h TRP 229 N 0.46 0.00 -0.64 3.16 5.08 -1.99 -1.87 115.95 120.14 1up6 h TRP 229 Ca 0.18 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.11 1up6 h TRP 229 Cb 0.06 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.19 1up6 h TRP 229 CO -0.09 0.00 0.28 0.35 -1.28 0.00 0.00 178.44 177.70 1up6 h PHE 230 N 0.00 0.96 -0.49 0.12 3.04 -1.86 0.12 116.94 118.83 1up6 h PHE 230 Ca -0.00 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.77 1up6 h PHE 230 Cb 0.01 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 1up6 h PHE 230 CO 0.00 0.74 -0.14 1.88 -2.02 0.00 0.00 178.31 178.77 1up6 h TYR 231 N 0.89 1.08 -0.90 0.41 0.05 -1.44 -0.10 116.97 116.97 1up6 h TYR 231 Ca 0.22 -0.24 0.05 0.00 0.05 0.00 0.00 58.73 58.80 1up6 h TYR 231 Cb 0.17 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 37.59 1up6 h TYR 231 CO 0.01 1.04 0.58 -0.44 -1.05 0.00 0.00 178.16 178.29 1up6 h ASP 232 N 0.81 0.94 0.01 3.88 3.32 -1.12 0.78 116.42 125.04 1up6 h ASP 232 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1up6 h ASP 232 Cb 0.70 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1up6 h ASP 232 CO 0.05 0.62 -0.01 0.28 -1.72 0.00 0.00 179.24 178.47 1up6 h SER 233 N 1.09 -0.01 0.71 6.45 0.02 -0.60 -3.38 113.55 117.83 1up6 h SER 233 Ca 0.37 -0.80 -0.26 0.00 -0.84 0.00 0.00 61.79 60.27 1up6 h SER 233 Cb 0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1up6 h SER 233 CO -0.14 0.82 -1.26 0.58 -1.14 0.00 0.00 176.83 175.69 1up6 h VAL 234 N -0.88 1.45 -5.45 2.27 2.07 -1.04 -3.48 116.25 111.18 1up6 h VAL 234 Ca -0.00 -3.11 -0.42 0.00 0.82 0.00 0.00 66.70 63.99 1up6 h VAL 234 Cb 0.81 2.82 0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1up6 h VAL 234 CO 0.00 0.87 -0.65 0.54 0.02 0.00 0.00 177.57 178.35 1up6 n ARG 235 N -3.41 -5.23 -4.26 1.57 1.74 0.27 -5.00 116.66 102.34 1up6 n ARG 235 Ca -0.08 0.71 -0.17 0.00 -0.77 0.00 0.00 57.85 57.54 1up6 n ARG 235 Cb 1.00 -5.58 -0.14 0.00 -1.02 0.00 0.00 32.46 26.73 1up6 n ARG 235 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1up6 s LEU 236 N -6.92 2.08 -0.10 0.55 1.43 -1.26 -4.87 118.68 109.59 1up6 s LEU 236 Ca 0.48 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 53.10 1up6 s LEU 236 Cb -0.23 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1up6 s LEU 236 CO 0.59 0.04 0.70 -0.63 0.23 0.00 0.00 176.35 177.27 1up6 s ILE 237 N -0.47 5.03 0.02 -0.59 1.01 0.40 -4.88 121.20 121.72 1up6 s ILE 237 Ca 0.01 1.41 0.08 0.00 0.00 0.00 0.00 60.65 62.14 1up6 s ILE 237 Cb -0.05 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1up6 s ILE 237 CO 0.00 0.21 -0.22 0.54 0.00 0.00 0.00 174.94 175.47 1up6 s VAL 238 N 1.12 2.45 0.32 2.92 0.11 -1.26 -0.16 120.40 125.90 1up6 s VAL 238 Ca 0.36 -1.20 -0.29 0.00 -2.93 0.00 0.00 61.98 57.92 1up6 s VAL 238 Cb -0.17 -1.97 -0.11 0.00 -1.53 0.00 0.00 36.38 32.60 1up6 s VAL 238 CO 0.16 0.42 1.52 0.21 -3.33 0.00 0.00 175.10 174.08 1up6 s ASN 239 N -1.14 6.42 0.62 3.54 3.84 -0.76 -4.89 114.94 122.57 1up6 s ASN 239 Ca 0.12 2.93 0.38 0.00 0.21 0.00 0.00 52.86 56.51 1up6 s ASN 239 Cb -0.10 -2.65 2.04 0.00 -0.55 0.00 0.00 41.25 40.00 1up6 s ASN 239 CO 0.02 -0.85 2.26 -0.65 -2.79 0.00 0.00 177.10 175.09 1up6 h PRO 240 N 4.15 0.00 0.00 0.43 0.11 -1.95 -1.54 132.00 133.20 1up6 h PRO 240 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1up6 h PRO 240 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1up6 h PRO 240 CO 0.73 0.02 -0.02 1.88 -0.21 0.00 0.00 178.00 180.39 1up6 h TYR 241 N 0.00 0.00 -0.03 0.65 -1.99 -1.90 -2.39 116.97 111.31 1up6 h TYR 241 Ca -0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1up6 h TYR 241 Cb 0.12 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.85 1up6 h TYR 241 CO 0.00 0.02 0.12 -0.07 -0.00 0.00 0.00 178.16 178.23 1up6 h LEU 242 N 0.00 0.00 -1.23 3.88 -0.00 -1.54 -2.07 115.31 114.36 1up6 h LEU 242 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1up6 h LEU 242 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 1up6 h LEU 242 CO 0.00 0.00 0.53 0.03 -0.00 0.00 0.00 178.44 179.00 1up6 h ARG 243 N 0.00 1.01 -0.11 1.13 3.08 -1.64 0.41 114.38 118.26 1up6 h ARG 243 Ca 0.01 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1up6 h ARG 243 Cb 0.25 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1up6 h ARG 243 CO -0.00 0.67 0.08 1.88 -1.07 0.00 0.00 179.97 181.53 1up6 h TYR 244 N 1.04 0.00 0.00 3.04 0.05 -1.60 -3.06 116.97 116.44 1up6 h TYR 244 Ca 0.31 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.94 1up6 h TYR 244 Cb -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1up6 h TYR 244 CO -0.00 0.00 -0.87 1.88 -1.05 0.00 0.00 178.16 178.12 1up6 h TYR 245 N 0.00 0.00 -0.16 4.88 -1.99 -1.22 -3.31 116.97 115.17 1up6 h TYR 245 Ca 0.05 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1up6 h TYR 245 Cb 0.22 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 1up6 h TYR 245 CO 0.00 1.09 0.08 1.28 -0.00 0.00 0.00 178.16 180.61 1up6 n LEU 246 N -4.51 3.08 0.00 3.88 7.99 0.13 -4.97 117.00 122.60 1up6 n LEU 246 Ca -0.23 -1.57 0.00 0.00 -0.01 0.00 0.00 56.01 54.20 1up6 n LEU 246 Cb 0.55 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1up6 n LEU 246 CO 0.19 0.51 0.00 1.21 -1.51 0.00 0.00 177.39 177.79 1up6 n GLU 248 N 0.17 0.00 -0.09 3.23 2.13 -1.20 -5.04 120.64 119.84 1up6 n GLU 248 Ca 0.09 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.85 1up6 n GLU 248 Cb 0.62 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.34 1up6 n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1up6 h LYS 249 N 0.00 0.16 -0.01 5.31 1.57 -1.91 0.10 116.57 121.79 1up6 h LYS 249 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1up6 h LYS 249 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1up6 h LYS 249 CO 0.00 0.11 0.00 1.17 -0.57 0.00 0.00 179.45 180.16 1up6 n LYS 250 N -5.10 0.01 0.00 3.15 3.00 -1.26 -1.99 118.16 115.97 1up6 n LYS 250 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1up6 n LYS 250 Cb 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.17 1up6 n LYS 250 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1up6 n PHE 252 N 0.49 0.00 -0.29 5.64 7.35 0.35 -2.00 117.46 129.00 1up6 n PHE 252 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1up6 n PHE 252 Cb 0.00 0.00 0.14 0.00 0.35 0.00 0.00 39.48 39.97 1up6 n PHE 252 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1up6 h LYS 253 N 0.00 0.87 0.06 -4.13 3.64 -1.64 -1.74 116.57 113.64 1up6 h LYS 253 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1up6 h LYS 253 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1up6 h LYS 253 CO 0.00 0.58 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.51 1up6 h LYS 254 N 0.90 -0.08 -0.25 1.90 3.64 -1.68 -3.07 116.57 117.93 1up6 h LYS 254 Ca 0.36 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1up6 h LYS 254 Cb 0.19 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1up6 h LYS 254 CO -0.18 0.30 -0.08 0.82 -2.27 0.00 0.00 179.45 178.04 1up6 h ILE 255 N -0.48 1.20 -0.11 2.00 2.04 -1.82 -3.07 117.51 117.27 1up6 h ILE 255 Ca -0.01 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1up6 h ILE 255 Cb 0.42 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1up6 h ILE 255 CO 0.01 0.27 0.00 -1.54 0.00 0.00 0.00 178.15 176.89 1up6 n SER 256 N -4.26 2.07 -0.24 1.72 3.41 -0.66 -3.52 113.62 112.14 1up6 n SER 256 Ca 0.00 -1.72 0.09 0.00 -0.26 0.00 0.00 58.87 56.99 1up6 n SER 256 Cb 0.27 -0.06 0.16 0.00 -0.26 0.00 0.00 64.21 64.32 1up6 n SER 256 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1up6 n THR 257 N 0.60 1.98 -3.98 6.66 -2.24 -1.16 -5.03 114.28 111.12 1up6 n THR 257 Ca 0.17 -2.39 -0.08 0.00 -2.27 0.00 0.00 64.05 59.48 1up6 n THR 257 Cb 0.42 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1up6 n THR 257 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1up6 s HIS 258 N -2.94 0.30 0.24 4.78 4.02 -1.23 -5.08 115.29 115.39 1up6 s HIS 258 Ca 0.34 -0.71 -0.28 0.00 1.02 0.00 0.00 55.06 55.43 1up6 s HIS 258 Cb 0.30 -0.22 -0.16 0.00 -1.02 0.00 0.00 32.58 31.49 1up6 s HIS 258 CO 0.02 -0.38 0.79 -1.91 1.02 0.00 0.00 174.74 174.28 1up6 n GLU 259 N 0.49 0.68 -1.85 1.40 2.13 -1.26 -4.91 120.64 117.33 1up6 n GLU 259 Ca -0.17 0.24 -0.41 0.00 0.66 0.00 0.00 57.16 57.48 1up6 n GLU 259 Cb 0.60 -1.45 -0.02 0.00 0.27 0.00 0.00 31.44 30.85 1up6 n GLU 259 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1up6 s LEU 260 N 1.64 4.35 0.28 4.31 1.43 -1.26 -4.91 118.68 124.52 1up6 s LEU 260 Ca 0.62 2.89 0.01 0.00 -1.03 0.00 0.00 54.13 56.63 1up6 s LEU 260 Cb -0.83 -3.64 0.56 0.00 0.03 0.00 0.00 46.19 42.31 1up6 s LEU 260 CO 0.58 -0.84 1.83 -0.09 0.23 0.00 0.00 176.35 178.05 1up6 h ARG 261 N 4.51 0.94 -0.81 1.70 9.65 -1.95 -0.91 114.38 127.51 1up6 h ARG 261 Ca -0.48 -0.06 0.19 0.00 -1.10 0.00 0.00 59.98 58.54 1up6 h ARG 261 Cb 1.22 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 29.54 1up6 h ARG 261 CO 0.76 0.62 0.55 0.00 2.80 0.00 0.00 179.97 184.70 1up6 h ALA 262 N 1.54 2.30 -0.09 2.80 0.00 -1.91 0.11 119.26 124.02 1up6 h ALA 262 Ca 0.50 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 1up6 h ALA 262 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1up6 h ALA 262 CO -0.27 -0.54 -0.72 0.00 0.00 0.00 0.00 179.25 177.72 1up6 h ARG 263 N 0.30 0.45 -0.31 0.00 3.08 -1.54 -3.00 114.38 113.36 1up6 h ARG 263 Ca 0.40 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1up6 h ARG 263 Cb 1.12 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1up6 h ARG 263 CO -0.11 0.99 0.08 0.93 -1.07 0.00 0.00 179.97 180.78 1up6 h GLU 264 N 0.31 0.50 -1.30 0.04 5.08 -0.81 -2.84 114.58 115.55 1up6 h GLU 264 Ca -0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1up6 h GLU 264 Cb 1.29 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1up6 h GLU 264 CO 0.13 0.57 0.00 0.28 -1.00 0.00 0.00 179.01 178.98 1up6 n VAL 265 N -4.66 0.00 0.00 3.13 0.31 -0.53 -0.91 118.33 115.67 1up6 n VAL 265 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1up6 n VAL 265 Cb 0.19 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1up6 n VAL 265 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1up6 n LYS 267 N 0.78 0.00 0.06 5.55 5.02 -1.07 0.12 118.16 128.62 1up6 n LYS 267 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1up6 n LYS 267 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1up6 n LYS 267 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1up6 h ILE 268 N 0.00 0.92 -0.57 -0.18 2.04 -1.32 -1.94 117.51 116.45 1up6 h ILE 268 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1up6 h ILE 268 Cb 0.00 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1up6 h ILE 268 CO 0.00 0.00 0.26 -0.33 0.00 0.00 0.00 178.15 178.08 1up6 h GLU 269 N -0.09 0.81 0.00 2.37 5.08 -0.59 -1.27 114.58 120.89 1up6 h GLU 269 Ca -0.00 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1up6 h GLU 269 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1up6 h GLU 269 CO -0.00 0.64 -0.54 -0.22 -1.00 0.00 0.00 179.01 177.89 1up6 h LYS 270 N 0.80 0.00 0.01 2.33 3.64 -1.73 -0.73 116.57 120.89 1up6 h LYS 270 Ca 0.20 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.36 1up6 h LYS 270 Cb 0.11 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1up6 h LYS 270 CO -0.02 0.54 -0.87 1.49 -2.27 0.00 0.00 179.45 178.31 1up6 h GLU 271 N 0.00 0.58 0.25 1.90 4.81 -0.61 -3.06 114.58 118.45 1up6 h GLU 271 Ca -0.01 -0.63 0.01 0.00 -0.13 0.00 0.00 59.36 58.60 1up6 h GLU 271 Cb 1.03 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1up6 h GLU 271 CO 0.07 1.24 -0.30 -0.07 -0.73 0.00 0.00 179.01 179.22 1up6 h LEU 272 N 0.17 -0.82 -0.80 1.64 3.38 -1.20 -2.38 115.31 115.30 1up6 h LEU 272 Ca -0.11 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.13 1up6 h LEU 272 Cb 1.55 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 42.46 1up6 h LEU 272 CO 0.17 -0.42 0.14 0.15 0.09 0.00 0.00 178.44 178.58 1up6 h PHE 273 N -0.60 0.19 -0.17 1.13 3.57 -1.24 0.42 116.94 120.25 1up6 h PHE 273 Ca -0.00 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1up6 h PHE 273 Cb 0.57 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1up6 h PHE 273 CO -0.21 -0.18 -0.22 0.93 -2.23 0.00 0.00 178.31 176.40 1up6 h GLU 274 N 0.19 0.30 -0.01 1.11 4.39 -1.40 -2.84 114.58 116.33 1up6 h GLU 274 Ca 0.47 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.91 1up6 h GLU 274 Cb 0.86 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1up6 h GLU 274 CO -0.62 0.52 -0.76 0.87 -1.16 0.00 0.00 179.01 177.86 1up6 h LYS 275 N 0.28 0.06 0.00 2.33 1.57 0.27 -3.12 116.57 117.95 1up6 h LYS 275 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1up6 h LYS 275 Cb 0.55 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1up6 h LYS 275 CO 0.04 0.79 -0.00 1.88 -0.57 0.00 0.00 179.45 181.58 1up6 h TYR 276 N 0.04 0.00 0.00 -1.35 0.05 -0.73 -1.64 116.97 113.35 1up6 h TYR 276 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1up6 h TYR 276 Cb 1.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.07 1up6 h TYR 276 CO 0.01 0.00 -0.08 0.00 -1.05 0.00 0.00 178.16 177.05 1up6 h ARG 277 N 0.00 0.00 0.00 4.88 3.08 -1.58 -3.34 114.38 117.42 1up6 h ARG 277 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1up6 h ARG 277 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1up6 h ARG 277 CO 0.00 0.08 0.00 0.25 -1.07 0.00 0.00 179.97 179.23 1up6 n THR 278 N -3.51 0.00 -2.15 2.04 -2.24 -1.00 -5.03 114.28 102.40 1up6 n THR 278 Ca -0.02 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1up6 n THR 278 Cb 0.21 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 1up6 n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1up6 s ALA 279 N -0.13 3.47 -0.46 6.98 0.00 -0.65 -4.93 121.76 126.05 1up6 s ALA 279 Ca 0.00 1.23 0.18 0.00 0.00 0.00 0.00 51.96 53.37 1up6 s ALA 279 Cb 0.00 -3.46 -0.24 0.00 0.00 0.00 0.00 23.12 19.41 1up6 s ALA 279 CO 0.00 -0.61 0.60 1.33 0.00 0.00 0.00 175.76 177.08 1up6 n VAL 280 N 0.79 0.00 -4.02 0.00 0.24 -1.26 -4.98 118.33 109.10 1up6 n VAL 280 Ca 0.00 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 1up6 n VAL 280 Cb 0.42 0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 33.23 1up6 n VAL 280 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1up6 s GLU 281 N -3.00 0.42 0.21 7.34 2.02 -1.26 -4.80 118.70 119.63 1up6 s GLU 281 Ca 0.00 -0.75 -0.32 0.00 0.02 0.00 0.00 54.97 53.92 1up6 s GLU 281 Cb 0.13 0.01 -0.14 0.00 0.10 0.00 0.00 34.13 34.23 1up6 s GLU 281 CO 0.76 -0.03 1.41 -0.89 0.02 0.00 0.00 175.26 176.53 1up6 n ILE 282 N 1.31 0.69 -1.64 -1.63 5.41 -1.26 -4.98 119.36 117.26 1up6 n ILE 282 Ca -0.22 -0.17 -0.20 0.00 1.00 0.00 0.00 62.75 63.16 1up6 n ILE 282 Cb 0.56 -1.37 0.14 0.00 -0.71 0.00 0.00 39.64 38.26 1up6 n ILE 282 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1up6 n PRO 283 N 2.30 -0.88 -0.01 0.38 -0.05 -1.26 -5.04 135.00 130.44 1up6 n PRO 283 Ca 0.14 -1.42 -0.19 0.00 -0.05 0.00 0.00 63.50 61.98 1up6 n PRO 283 Cb 0.29 -0.94 -0.14 0.00 -0.05 0.00 0.00 33.50 32.67 1up6 n PRO 283 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1up6 n GLU 284 N -2.93 0.74 0.10 0.54 1.02 -1.26 -4.14 120.64 114.71 1up6 n GLU 284 Ca 0.11 0.26 0.19 0.00 -0.02 0.00 0.00 57.16 57.71 1up6 n GLU 284 Cb 0.40 -1.71 0.66 0.00 -0.02 0.00 0.00 31.44 30.77 1up6 n GLU 284 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1up6 h GLU 285 N 0.06 0.00 0.30 3.49 4.81 -2.02 0.75 114.58 121.97 1up6 h GLU 285 Ca -0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1up6 h GLU 285 Cb 2.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.41 1up6 h GLU 285 CO 0.08 0.00 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.14 1up6 h LEU 286 N 0.00 -0.34 -8.62 1.64 3.38 -1.98 -3.50 115.31 105.88 1up6 h LEU 286 Ca 0.19 -0.15 -0.64 0.00 0.09 0.00 0.00 57.88 57.37 1up6 h LEU 286 Cb 1.37 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 42.07 1up6 h LEU 286 CO -0.00 -0.02 0.23 -0.89 0.09 0.00 0.00 178.44 177.84 1up6 s THR 287 N -4.94 4.76 0.00 0.22 2.01 0.26 -5.15 115.64 112.79 1up6 s THR 287 Ca -0.15 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1up6 s THR 287 Cb 0.03 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1up6 s THR 287 CO 0.57 -0.63 0.00 -1.20 -0.69 0.00 0.00 174.62 172.68 1up6 n SER 292 N 6.44 0.00 0.00 3.53 7.64 -1.26 -5.09 113.62 124.88 1up6 n SER 292 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1up6 n SER 292 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1up6 n SER 292 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up6 n TYR 294 N 0.00 0.00 -1.02 1.43 4.11 -1.26 -4.89 117.16 115.53 1up6 n TYR 294 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 1up6 n TYR 294 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 1up6 n TYR 294 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1up6 n SER 295 N 0.88 5.62 0.00 9.48 3.41 -1.26 -0.67 113.62 131.08 1up6 n SER 295 Ca 0.00 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1up6 n SER 295 Cb 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 1up6 n SER 295 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1up6 n THR 296 N 1.82 0.00 0.08 6.66 5.66 -1.26 -4.33 114.28 122.91 1up6 n THR 296 Ca 0.36 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.23 1up6 n THR 296 Cb 0.75 0.22 -0.06 0.00 -1.55 0.00 0.00 70.33 69.68 1up6 n THR 296 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1up6 h ALA 297 N 0.00 0.33 0.25 1.79 0.00 -1.30 -2.77 119.26 117.57 1up6 h ALA 297 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1up6 h ALA 297 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1up6 h ALA 297 CO 0.00 0.87 -0.12 0.00 0.00 0.00 0.00 179.25 180.00 1up6 h ALA 298 N 0.75 -0.34 -0.72 0.00 0.00 -1.72 -2.26 119.26 114.97 1up6 h ALA 298 Ca -0.08 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1up6 h ALA 298 Cb 1.65 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.48 1up6 h ALA 298 CO 0.17 -0.41 0.28 0.00 0.00 0.00 0.00 179.25 179.29 1up6 h ALA 299 N -0.48 0.98 -0.46 0.00 0.00 -1.86 -1.55 119.26 115.90 1up6 h ALA 299 Ca -0.03 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1up6 h ALA 299 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1up6 h ALA 299 CO 0.06 -0.20 -0.26 0.45 0.00 0.00 0.00 179.25 179.30 1up6 h HIS 300 N 0.44 1.14 0.13 0.00 3.86 -1.57 -1.27 115.15 117.89 1up6 h HIS 300 Ca 0.38 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1up6 h HIS 300 Cb 0.55 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1up6 h HIS 300 CO -0.17 1.13 -0.13 1.25 0.86 0.00 0.00 177.93 180.87 1up6 h LEU 301 N 0.84 -0.35 -0.49 2.43 5.85 -1.08 -0.56 115.31 121.96 1up6 h LEU 301 Ca 0.10 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1up6 h LEU 301 Cb 0.85 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1up6 h LEU 301 CO 0.07 -0.20 0.24 0.40 -0.34 0.00 0.00 178.44 178.61 1up6 h ILE 302 N -0.29 0.96 -0.20 4.05 2.04 -1.20 0.17 117.51 123.03 1up6 h ILE 302 Ca 0.00 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1up6 h ILE 302 Cb 0.28 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1up6 h ILE 302 CO -0.04 0.09 -0.01 -0.09 0.00 0.00 0.00 178.15 178.10 1up6 h ARG 303 N 0.48 0.05 0.00 2.37 1.12 -1.12 -1.48 114.38 115.80 1up6 h ARG 303 Ca 0.21 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1up6 h ARG 303 Cb 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1up6 h ARG 303 CO -0.15 0.03 0.00 -0.44 -3.11 0.00 0.00 179.97 176.30 1up6 h ASP 304 N 0.05 0.00 0.80 -3.80 3.32 -0.51 -1.39 116.42 114.89 1up6 h ASP 304 Ca 0.09 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 1up6 h ASP 304 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1up6 h ASP 304 CO -0.16 0.00 -0.89 -0.07 -1.72 0.00 0.00 179.24 176.39 1up6 h LEU 305 N 0.00 0.07 0.06 1.55 4.07 -0.35 -3.31 115.31 117.41 1up6 h LEU 305 Ca 0.00 -0.07 -0.26 0.00 0.08 0.00 0.00 57.88 57.63 1up6 h LEU 305 Cb 0.66 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 42.40 1up6 h LEU 305 CO 0.00 0.93 -1.07 -0.33 -1.08 0.00 0.00 178.44 176.89 1up6 h GLU 306 N 0.03 0.61 -7.27 1.13 4.39 -0.22 0.12 114.58 113.37 1up6 h GLU 306 Ca -0.02 -0.74 -0.46 0.00 0.34 0.00 0.00 59.36 58.48 1up6 h GLU 306 Cb 1.56 0.23 0.09 0.00 -0.10 0.00 0.00 28.75 30.54 1up6 h GLU 306 CO 0.12 1.32 0.18 0.95 -1.16 0.00 0.00 179.01 180.43 1up6 s THR 307 N -3.11 2.20 -0.92 1.13 -4.23 -0.77 -4.74 115.64 105.20 1up6 s THR 307 Ca -0.10 -0.40 0.15 0.00 -1.18 0.00 0.00 61.69 60.16 1up6 s THR 307 Cb 0.05 -2.80 0.52 0.00 1.34 0.00 0.00 72.50 71.62 1up6 s THR 307 CO 0.91 0.00 1.44 -0.67 -0.54 0.00 0.00 174.62 175.76 1up6 n ASP 308 N -2.99 3.81 -0.12 3.99 2.03 -1.26 -1.34 116.55 120.67 1up6 n ASP 308 Ca 0.13 -2.36 -0.09 0.00 0.52 0.00 0.00 54.79 52.98 1up6 n ASP 308 Cb 0.60 -0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 40.56 1up6 n ASP 308 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1up6 h GLU 309 N 2.83 0.53 -1.20 -0.67 5.08 -1.90 -3.46 114.58 115.79 1up6 h GLU 309 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1up6 h GLU 309 Cb 1.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1up6 h GLU 309 CO 0.12 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 1up6 n GLY 310 N -0.77 -3.44 3.27 -3.84 0.00 -1.25 -5.07 105.19 94.09 1up6 n GLY 310 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1up6 n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up6 s LYS 311 N -2.79 0.70 -0.08 1.61 -0.14 -0.89 -4.93 119.74 113.22 1up6 s LYS 311 Ca 0.00 -0.11 -0.19 0.00 -1.36 0.00 0.00 55.97 54.30 1up6 s LYS 311 Cb 0.00 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.42 1up6 s LYS 311 CO 0.00 -0.19 0.54 0.42 -0.76 0.00 0.00 175.35 175.35 1up6 s ILE 312 N -1.24 5.09 -0.02 2.17 -1.09 -1.26 -0.71 121.20 124.14 1up6 s ILE 312 Ca -0.13 1.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.39 1up6 s ILE 312 Cb -0.05 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1up6 s ILE 312 CO 0.05 0.35 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.08 1up6 s HIS 313 N 0.37 0.40 -0.20 3.97 3.76 -0.58 -4.94 115.29 118.06 1up6 s HIS 313 Ca 0.29 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.89 1up6 s HIS 313 Cb -0.16 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.14 1up6 s HIS 313 CO 0.13 -0.09 0.82 0.42 -0.85 0.00 0.00 174.74 175.18 1up6 s ILE 314 N 0.54 4.87 0.16 0.60 1.01 -1.26 -0.79 121.20 126.33 1up6 s ILE 314 Ca -0.06 1.58 -0.05 0.00 0.00 0.00 0.00 60.65 62.12 1up6 s ILE 314 Cb -0.09 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1up6 s ILE 314 CO -0.01 -0.01 0.19 0.68 0.00 0.00 0.00 174.94 175.79 1up6 s VAL 315 N 2.45 0.07 -0.25 2.92 -7.23 -0.58 -4.85 120.40 112.93 1up6 s VAL 315 Ca 0.36 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 1up6 s VAL 315 Cb -0.16 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1up6 s VAL 315 CO 0.10 -0.30 0.48 0.20 -0.31 0.00 0.00 175.10 175.27 1up6 s ASN 316 N -3.02 6.42 0.30 4.85 0.01 0.75 -1.35 114.94 122.90 1up6 s ASN 316 Ca 0.23 0.51 -0.19 0.00 -0.71 0.00 0.00 52.86 52.69 1up6 s ASN 316 Cb 0.05 -2.27 0.05 0.00 0.41 0.00 0.00 41.25 39.49 1up6 s ASN 316 CO 0.03 -0.24 0.83 0.28 -1.51 0.00 0.00 177.10 176.49 1up6 s THR 317 N 2.11 0.00 0.20 1.60 -1.32 -0.31 -2.89 115.64 115.02 1up6 s THR 317 Ca 0.20 -0.90 -0.31 0.00 -1.21 0.00 0.00 61.69 59.48 1up6 s THR 317 Cb -0.16 -2.53 -0.10 0.00 -1.51 0.00 0.00 72.50 68.21 1up6 s THR 317 CO 0.09 0.00 1.54 -0.13 -2.21 0.00 0.00 174.62 173.91 1up6 s ARG 318 N -2.86 4.22 0.18 7.08 0.52 -1.26 0.14 118.95 126.98 1up6 s ARG 318 Ca 0.15 2.37 -0.22 0.00 -0.52 0.00 0.00 55.73 57.51 1up6 s ARG 318 Cb -0.05 -3.13 0.10 0.00 0.52 0.00 0.00 34.95 32.40 1up6 s ARG 318 CO 0.08 -0.56 1.58 -0.97 0.02 0.00 0.00 175.30 175.45 1up6 h ASN 319 N 6.15 -1.29 -6.87 0.23 -1.24 -0.37 -3.46 115.58 108.74 1up6 h ASN 319 Ca -0.44 0.24 -0.57 0.00 0.71 0.00 0.00 56.30 56.24 1up6 h ASN 319 Cb 1.21 0.62 -0.15 0.00 0.73 0.00 0.00 38.32 40.74 1up6 h ASN 319 CO 0.87 -0.31 -0.94 0.59 -1.29 0.00 0.00 177.43 176.34 1up6 n ASN 320 N -5.43 0.38 0.00 1.15 5.03 -0.18 -1.48 115.26 114.73 1up6 n ASN 320 Ca 0.04 -1.18 0.00 0.00 0.87 0.00 0.00 54.58 54.31 1up6 n ASN 320 Cb 0.36 -2.13 0.00 0.00 -1.02 0.00 0.00 39.78 36.98 1up6 n ASN 320 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up6 n GLY 321 N -2.36 1.46 0.09 7.41 0.00 -1.26 -4.91 105.19 105.62 1up6 n GLY 321 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1up6 n GLY 321 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1up6 h SER 322 N 0.00 0.18 -3.58 1.61 0.87 -1.46 -3.33 113.55 107.84 1up6 h SER 322 Ca 0.00 -0.01 -0.71 0.00 -1.23 0.00 0.00 61.79 59.84 1up6 h SER 322 Cb 0.00 -0.04 -0.24 0.00 -0.44 0.00 0.00 62.40 61.67 1up6 h SER 322 CO 0.00 0.13 -0.51 -0.63 -0.53 0.00 0.00 176.83 175.29 1up6 s ILE 323 N -6.17 4.61 0.34 2.23 -1.09 -1.26 -1.01 121.20 118.85 1up6 s ILE 323 Ca -0.13 -0.87 0.26 0.00 -2.23 0.00 0.00 60.65 57.69 1up6 s ILE 323 Cb 0.08 -3.58 0.28 0.00 -1.58 0.00 0.00 42.46 37.65 1up6 s ILE 323 CO 0.68 -0.25 2.01 1.05 -1.23 0.00 0.00 174.94 177.20 1up6 h GLU 324 N 8.45 0.00 -0.74 2.79 4.11 -1.17 -2.54 114.58 125.48 1up6 h GLU 324 Ca -0.25 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.99 1up6 h GLU 324 Cb 1.10 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 1up6 h GLU 324 CO 0.67 0.15 0.24 0.27 0.07 0.00 0.00 179.01 180.41 1up6 n ASN 325 N -3.57 4.95 -4.28 3.06 6.94 -1.26 -4.87 115.26 116.22 1up6 n ASN 325 Ca -0.01 -3.16 -0.23 0.00 -0.02 0.00 0.00 54.58 51.16 1up6 n ASN 325 Cb 0.29 -0.74 -0.12 0.00 -2.36 0.00 0.00 39.78 36.85 1up6 n ASN 325 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1up6 s LEU 326 N -2.89 2.32 0.48 -4.53 1.02 -0.96 -4.96 118.68 109.16 1up6 s LEU 326 Ca 0.54 -0.71 -0.24 0.00 0.02 0.00 0.00 54.13 53.74 1up6 s LEU 326 Cb 0.43 -0.83 -0.07 0.00 0.02 0.00 0.00 46.19 45.74 1up6 s LEU 326 CO 0.14 0.02 1.39 -2.84 0.02 0.00 0.00 176.35 175.08 1up6 s PRO 327 N -2.07 3.53 0.39 1.29 0.02 -1.26 -4.83 135.00 132.07 1up6 s PRO 327 Ca 0.07 2.32 0.15 0.00 0.02 0.00 0.00 61.00 63.56 1up6 s PRO 327 Cb -0.09 -2.52 1.00 0.00 0.02 0.00 0.00 34.50 32.90 1up6 s PRO 327 CO 0.04 -0.91 1.83 -0.44 -0.33 0.00 0.00 177.00 177.20 1up6 h ASP 328 N 2.05 0.51 0.10 2.53 3.32 -1.95 -2.76 116.42 120.22 1up6 h ASP 328 Ca -0.51 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1up6 h ASP 328 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1up6 h ASP 328 CO 0.60 0.19 -0.15 -0.90 -1.72 0.00 0.00 179.24 177.26 1up6 n ASP 329 N -4.57 1.38 -4.70 6.45 5.75 -1.26 -1.01 116.55 118.59 1up6 n ASP 329 Ca 0.21 -1.23 -0.42 0.00 -0.01 0.00 0.00 54.79 53.33 1up6 n ASP 329 Cb 0.68 0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.83 1up6 n ASP 329 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1up6 n TYR 330 N -0.17 2.66 -2.30 2.11 4.02 -1.04 -4.76 117.16 117.68 1up6 n TYR 330 Ca 0.15 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.90 57.55 1up6 n TYR 330 Cb 0.37 -2.70 -0.02 0.00 -0.02 0.00 0.00 39.34 36.97 1up6 n TYR 330 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1up6 s VAL 331 N 2.07 4.06 0.25 -0.72 1.01 -1.26 -0.24 120.40 125.57 1up6 s VAL 331 Ca 0.79 1.29 0.10 0.00 0.00 0.00 0.00 61.98 64.17 1up6 s VAL 331 Cb -0.50 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1up6 s VAL 331 CO 0.36 -0.10 -0.17 -0.76 0.00 0.00 0.00 175.10 174.42 1up6 s LEU 332 N 3.53 2.58 -0.46 3.92 1.43 0.12 -4.85 118.68 124.94 1up6 s LEU 332 Ca 0.60 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1up6 s LEU 332 Cb -0.26 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1up6 s LEU 332 CO 0.20 -0.05 0.78 -0.70 0.23 0.00 0.00 176.35 176.80 1up6 s GLU 333 N -3.57 3.37 0.09 1.70 2.12 0.24 -1.17 118.70 121.48 1up6 s GLU 333 Ca 0.27 -0.19 -0.16 0.00 0.36 0.00 0.00 54.97 55.25 1up6 s GLU 333 Cb -0.03 -3.96 0.03 0.00 0.26 0.00 0.00 34.13 30.43 1up6 s GLU 333 CO 0.12 -1.15 0.38 0.96 -0.54 0.00 0.00 175.26 175.02 1up6 s ILE 334 N 3.28 0.07 0.22 -3.70 -4.36 -0.45 -3.46 121.20 112.80 1up6 s ILE 334 Ca 0.28 -0.60 -0.30 0.00 -0.26 0.00 0.00 60.65 59.78 1up6 s ILE 334 Cb -0.13 -1.11 -0.09 0.00 1.25 0.00 0.00 42.46 42.39 1up6 s ILE 334 CO 0.21 -0.33 1.16 -2.84 0.24 0.00 0.00 174.94 173.38 1up6 s PRO 335 N -3.36 4.55 0.09 0.37 0.02 -1.26 -1.52 135.00 133.88 1up6 s PRO 335 Ca 0.00 1.85 0.05 0.00 0.02 0.00 0.00 61.00 62.92 1up6 s PRO 335 Cb 0.01 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1up6 s PRO 335 CO -0.09 0.03 -0.13 0.00 -0.33 0.00 0.00 177.00 176.49 1up6 s TYR 337 N -1.77 3.23 -0.20 0.00 5.04 0.29 -1.52 117.35 122.42 1up6 s TYR 337 Ca 0.02 0.46 -0.03 0.00 -2.44 0.00 0.00 57.07 55.08 1up6 s TYR 337 Cb -0.07 -2.79 -0.01 0.00 0.35 0.00 0.00 41.96 39.44 1up6 s TYR 337 CO 0.02 -0.37 -0.05 0.08 -1.34 0.00 0.00 175.55 173.89 1up6 s VAL 338 N 2.33 3.44 -0.28 3.14 1.01 0.11 -0.72 120.40 129.42 1up6 s VAL 338 Ca 0.20 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1up6 s VAL 338 Cb -0.16 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.77 1up6 s VAL 338 CO 0.11 0.44 0.70 -0.60 0.00 0.00 0.00 175.10 175.75 1up6 s ARG 339 N 1.18 0.67 -1.24 2.72 3.52 -0.64 -2.09 118.95 123.08 1up6 s ARG 339 Ca 0.02 1.22 -0.24 0.00 -0.13 0.00 0.00 55.73 56.61 1up6 s ARG 339 Cb -0.14 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1up6 s ARG 339 CO -0.01 -0.15 0.64 0.43 -0.81 0.00 0.00 175.30 175.40 1up6 n SER 340 N 4.44 -3.73 0.00 -2.12 7.64 -0.45 -0.70 113.62 118.70 1up6 n SER 340 Ca -0.19 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1up6 n SER 340 Cb 0.57 -2.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.39 1up6 n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1up6 n GLY 341 N -1.99 1.54 3.48 0.23 0.00 0.42 -5.00 105.19 103.86 1up6 n GLY 341 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1up6 n GLY 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1up6 s ARG 342 N -0.06 1.72 -0.17 1.61 0.52 0.12 -5.11 118.95 117.58 1up6 s ARG 342 Ca 0.00 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.89 1up6 s ARG 342 Cb 0.00 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.48 1up6 s ARG 342 CO 0.00 0.44 -0.11 0.08 0.02 0.00 0.00 175.30 175.73 1up6 s VAL 343 N -1.41 1.51 -0.12 3.52 1.01 -1.26 -1.61 120.40 122.04 1up6 s VAL 343 Ca 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1up6 s VAL 343 Cb -0.09 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1up6 s VAL 343 CO 0.11 0.29 -0.12 -1.00 0.00 0.00 0.00 175.10 174.38 1up6 s HIS 344 N 1.48 2.82 0.47 5.22 3.76 0.10 -4.94 115.29 124.20 1up6 s HIS 344 Ca 0.02 -0.49 -0.21 0.00 -0.15 0.00 0.00 55.06 54.23 1up6 s HIS 344 Cb -0.15 -1.82 -0.08 0.00 1.11 0.00 0.00 32.58 31.65 1up6 s HIS 344 CO -0.09 -0.10 1.05 0.95 -0.85 0.00 0.00 174.74 175.70 1up6 s THR 345 N 0.12 3.70 0.01 1.30 -4.23 -1.26 -0.55 115.64 114.73 1up6 s THR 345 Ca -0.05 1.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.61 1up6 s THR 345 Cb -0.15 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1up6 s THR 345 CO 0.04 -0.18 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.09 1up6 s LEU 346 N -3.33 2.99 0.28 4.79 1.02 -1.25 -4.87 118.68 118.32 1up6 s LEU 346 Ca 0.66 -0.22 -0.30 0.00 0.02 0.00 0.00 54.13 54.29 1up6 s LEU 346 Cb -0.18 -1.72 -0.13 0.00 0.02 0.00 0.00 46.19 44.18 1up6 s LEU 346 CO 0.22 0.28 1.43 -1.20 0.02 0.00 0.00 176.35 177.11 1up6 n SER 347 N 1.63 3.09 0.00 2.29 7.64 -1.26 -4.35 113.62 122.66 1up6 n SER 347 Ca -0.16 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1up6 n SER 347 Cb 0.52 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1up6 n SER 347 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up6 n GLN 348 N 1.64 2.03 0.00 1.43 6.02 -0.18 -5.04 117.38 123.28 1up6 n GLN 348 Ca 0.09 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1up6 n GLN 348 Cb 0.34 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.09 1up6 n GLN 348 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1up6 n GLY 349 N 0.33 0.17 3.88 1.08 0.00 -1.23 -4.93 105.19 104.48 1up6 n GLY 349 Ca 0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1up6 n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up6 s LYS 350 N 0.00 3.68 0.32 1.61 1.02 -1.26 -0.97 119.74 124.15 1up6 s LYS 350 Ca 0.00 0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.82 1up6 s LYS 350 Cb 0.00 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.28 1up6 s LYS 350 CO 0.00 0.53 0.86 0.20 -0.92 0.00 0.00 175.35 176.01 1up6 s GLY 351 N -2.04 2.58 0.26 -3.33 0.00 -1.26 -4.96 107.32 98.57 1up6 s GLY 351 Ca 0.36 0.33 -0.29 0.00 0.00 0.00 0.00 44.72 45.11 1up6 s GLY 351 CO 0.20 0.67 1.22 -0.35 0.00 0.00 0.00 173.10 174.85 1up6 s ASP 352 N -1.87 7.01 0.37 1.64 -1.08 -1.26 -4.91 116.67 116.57 1up6 s ASP 352 Ca 0.52 2.42 0.10 0.00 -0.52 0.00 0.00 52.55 55.07 1up6 s ASP 352 Cb -0.14 -2.63 0.85 0.00 -1.46 0.00 0.00 42.92 39.54 1up6 s ASP 352 CO 0.19 -0.38 1.91 0.45 0.52 0.00 0.00 175.17 177.86 1up6 h HIS 353 N 4.24 0.72 -0.38 -5.34 3.86 -1.98 -0.27 115.15 116.00 1up6 h HIS 353 Ca -0.47 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 58.71 1up6 h HIS 353 Cb 1.22 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1up6 h HIS 353 CO 0.59 0.31 0.03 0.35 0.86 0.00 0.00 177.93 180.07 1up6 h PHE 354 N 0.64 0.70 -0.52 2.45 3.04 -1.98 -1.86 116.94 119.41 1up6 h PHE 354 Ca 0.39 -0.11 -0.13 0.00 3.98 0.00 0.00 57.97 62.10 1up6 h PHE 354 Cb 0.61 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1up6 h PHE 354 CO -0.00 0.71 -0.17 0.00 -2.02 0.00 0.00 178.31 176.84 1up6 h ALA 355 N 0.90 0.72 -0.47 2.41 0.00 -1.82 -3.07 119.26 117.92 1up6 h ALA 355 Ca 0.11 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1up6 h ALA 355 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1up6 h ALA 355 CO 0.01 0.68 0.31 -0.07 0.00 0.00 0.00 179.25 180.18 1up6 h LEU 356 N 0.90 0.49 -0.85 0.00 4.07 -0.86 -0.90 115.31 118.15 1up6 h LEU 356 Ca 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1up6 h LEU 356 Cb 0.75 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 1up6 h LEU 356 CO 0.06 0.35 0.54 0.77 -1.08 0.00 0.00 178.44 179.08 1up6 h SER 357 N 0.58 1.00 -0.16 -0.43 4.64 -1.24 -0.50 113.55 117.44 1up6 h SER 357 Ca 0.18 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1up6 h SER 357 Cb 0.01 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1up6 h SER 357 CO -0.04 0.75 -0.53 -0.26 -0.87 0.00 0.00 176.83 175.88 1up6 h PHE 358 N 1.16 0.84 -0.19 4.77 0.04 -1.46 -3.03 116.94 119.07 1up6 h PHE 358 Ca 0.31 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1up6 h PHE 358 Cb -0.09 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1up6 h PHE 358 CO -0.01 1.13 0.09 0.82 -0.60 0.00 0.00 178.31 179.74 1up6 h ILE 359 N 0.31 1.14 -0.61 -0.55 2.04 -0.79 -1.95 117.51 117.09 1up6 h ILE 359 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1up6 h ILE 359 Cb 1.15 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1up6 h ILE 359 CO 0.11 0.13 0.40 0.45 0.00 0.00 0.00 178.15 179.24 1up6 h HIS 360 N 0.17 0.77 -0.18 1.37 3.86 -1.19 -0.46 115.15 119.49 1up6 h HIS 360 Ca 0.06 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1up6 h HIS 360 Cb 0.13 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1up6 h HIS 360 CO -0.02 0.50 -0.02 0.00 0.86 0.00 0.00 177.93 179.24 1up6 h ALA 361 N 1.21 0.25 0.00 2.45 0.00 -1.36 -2.93 119.26 118.88 1up6 h ALA 361 Ca 0.22 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1up6 h ALA 361 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1up6 h ALA 361 CO -0.05 -0.00 -0.56 -0.39 0.00 0.00 0.00 179.25 178.25 1up6 h VAL 362 N 0.07 0.98 0.00 0.00 -1.51 -1.30 -2.09 116.25 112.40 1up6 h VAL 362 Ca 0.05 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 1up6 h VAL 362 Cb 0.44 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1up6 h VAL 362 CO 0.01 0.55 0.00 1.17 -1.23 0.00 0.00 177.57 178.07 1up6 n LYS 363 N -3.27 0.00 0.00 5.19 3.00 -0.19 0.25 118.16 123.14 1up6 n LYS 363 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1up6 n LYS 363 Cb 0.74 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.58 1up6 n LYS 363 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1up6 n TYR 365 N 0.73 0.00 -0.18 5.64 4.19 -0.79 -1.72 117.16 125.03 1up6 n TYR 365 Ca 0.00 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.16 1up6 n TYR 365 Cb 0.00 0.00 0.04 0.00 0.49 0.00 0.00 39.34 39.87 1up6 n TYR 365 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1up6 h GLU 366 N 0.00 0.64 -0.14 2.98 5.08 -0.48 -1.57 114.58 121.08 1up6 h GLU 366 Ca 0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1up6 h GLU 366 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1up6 h GLU 366 CO 0.00 0.42 -0.51 0.00 -1.00 0.00 0.00 179.01 177.92 1up6 h ARG 367 N 0.66 0.39 -0.47 2.33 2.47 -1.59 -2.05 114.38 116.11 1up6 h ARG 367 Ca 0.22 -0.23 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1up6 h ARG 367 Cb 0.01 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 1up6 h ARG 367 CO -0.09 0.81 -0.10 -0.07 0.56 0.00 0.00 179.97 181.08 1up6 h LEU 368 N 0.30 0.84 -0.37 3.04 3.38 -1.78 -0.48 115.31 120.25 1up6 h LEU 368 Ca 0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1up6 h LEU 368 Cb 1.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1up6 h LEU 368 CO 0.09 0.96 0.06 0.74 0.09 0.00 0.00 178.44 180.38 1up6 h THR 369 N 0.76 1.24 -0.19 0.22 2.02 -1.13 0.37 112.91 116.20 1up6 h THR 369 Ca 0.13 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.46 1up6 h THR 369 Cb 0.61 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1up6 h THR 369 CO 0.04 0.29 0.12 0.40 0.37 0.00 0.00 175.52 176.73 1up6 h ILE 370 N 0.45 1.03 -0.80 3.11 2.04 -1.17 -1.17 117.51 120.99 1up6 h ILE 370 Ca 0.11 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1up6 h ILE 370 Cb 0.36 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1up6 h ILE 370 CO 0.01 0.04 0.43 -0.33 0.00 0.00 0.00 178.15 178.30 1up6 h GLU 371 N 0.24 1.12 -0.65 2.37 5.08 -0.93 0.03 114.58 121.84 1up6 h GLU 371 Ca 0.07 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1up6 h GLU 371 Cb -0.01 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1up6 h GLU 371 CO -0.03 0.83 0.20 0.00 -1.00 0.00 0.00 179.01 179.01 1up6 h ALA 372 N 1.34 0.85 -0.60 3.43 0.00 -0.58 -2.71 119.26 120.99 1up6 h ALA 372 Ca 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1up6 h ALA 372 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1up6 h ALA 372 CO -0.04 0.53 0.21 -0.92 0.00 0.00 0.00 179.25 179.02 1up6 h TYR 373 N 0.94 0.94 -0.04 0.00 3.20 -0.25 -0.94 116.97 120.82 1up6 h TYR 373 Ca 0.21 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1up6 h TYR 373 Cb 0.30 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1up6 h TYR 373 CO 0.02 0.77 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.02 1up6 h LEU 374 N 0.84 0.06 -1.73 2.82 3.38 -0.79 -1.64 115.31 118.24 1up6 h LEU 374 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1up6 h LEU 374 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1up6 h LEU 374 CO -0.01 0.29 -0.10 0.29 0.09 0.00 0.00 178.44 179.00 1up6 n LYS 375 N -4.25 2.10 -3.72 1.13 5.02 -1.04 -4.97 118.16 112.42 1up6 n LYS 375 Ca -0.02 -1.73 -0.22 0.00 -2.02 0.00 0.00 58.31 54.31 1up6 n LYS 375 Cb 0.30 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1up6 n LYS 375 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1up6 n ARG 376 N 1.06 -5.09 -4.67 1.97 0.63 -0.47 -4.90 116.66 105.20 1up6 n ARG 376 Ca 0.13 0.63 -0.33 0.00 -0.92 0.00 0.00 57.85 57.36 1up6 n ARG 376 Cb 0.57 -5.25 -0.16 0.00 0.45 0.00 0.00 32.46 28.08 1up6 n ARG 376 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1up6 s SER 377 N -4.20 3.53 0.12 6.15 0.15 -0.54 -1.07 113.70 117.84 1up6 s SER 377 Ca 0.10 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.15 1up6 s SER 377 Cb -0.05 -1.53 -0.11 0.00 -1.71 0.00 0.00 66.02 62.62 1up6 s SER 377 CO 0.81 0.10 1.36 0.50 1.20 0.00 0.00 173.24 177.22 1up6 h LYS 378 N 7.16 0.84 -0.20 5.44 3.64 -1.03 -2.17 116.57 130.24 1up6 h LYS 378 Ca -0.30 -0.60 0.05 0.00 -1.27 0.00 0.00 60.65 58.53 1up6 h LYS 378 Cb 1.20 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 1up6 h LYS 378 CO 0.55 1.22 -0.13 0.87 -2.27 0.00 0.00 179.45 179.69 1up6 h LYS 379 N 0.61 -0.12 0.00 1.90 1.57 -1.95 -2.01 116.57 116.58 1up6 h LYS 379 Ca -0.02 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1up6 h LYS 379 Cb 1.27 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1up6 h LYS 379 CO 0.14 -0.08 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.69 1up6 h LEU 380 N -0.12 0.00 -0.45 2.94 3.38 -1.92 -2.70 115.31 116.44 1up6 h LEU 380 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1up6 h LEU 380 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1up6 h LEU 380 CO -0.28 0.18 -0.52 0.00 0.09 0.00 0.00 178.44 177.91 1up6 h ALA 381 N 1.82 0.62 -0.30 1.53 0.00 -0.98 -1.31 119.26 120.63 1up6 h ALA 381 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1up6 h ALA 381 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1up6 h ALA 381 CO 0.02 0.68 0.19 -0.07 0.00 0.00 0.00 179.25 180.08 1up6 h LEU 382 N 0.54 0.36 -0.40 0.00 4.07 -1.16 -0.52 115.31 118.19 1up6 h LEU 382 Ca 0.02 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1up6 h LEU 382 Cb 1.09 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 1up6 h LEU 382 CO 0.11 0.28 0.18 0.50 -1.08 0.00 0.00 178.44 178.43 1up6 h LYS 383 N 0.40 0.36 -0.43 1.13 3.64 -1.36 -1.03 116.57 119.28 1up6 h LYS 383 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1up6 h LYS 383 Cb -0.02 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1up6 h LYS 383 CO -0.02 0.24 0.27 0.00 -2.27 0.00 0.00 179.45 177.67 1up6 h ALA 384 N 1.23 0.55 -0.66 5.00 0.00 -0.97 -2.79 119.26 121.61 1up6 h ALA 384 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1up6 h ALA 384 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1up6 h ALA 384 CO -0.14 0.02 0.35 1.25 0.00 0.00 0.00 179.25 180.73 1up6 h LEU 385 N 0.58 0.84 -1.84 0.00 5.85 -0.83 -2.34 115.31 117.56 1up6 h LEU 385 Ca 0.16 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1up6 h LEU 385 Cb -0.04 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1up6 h LEU 385 CO -0.03 0.71 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.67 1up6 h LEU 386 N 0.91 0.00 0.00 2.25 3.38 -1.11 -3.12 115.31 117.62 1up6 h LEU 386 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1up6 h LEU 386 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1up6 h LEU 386 CO -0.03 0.03 -0.61 0.77 0.09 0.00 0.00 178.44 178.69 1up6 h SER 387 N 0.00 0.00 -2.90 -0.43 4.64 -1.14 -3.46 113.55 110.26 1up6 h SER 387 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1up6 h SER 387 Cb 0.39 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1up6 h SER 387 CO 0.00 0.31 0.81 -2.28 -0.87 0.00 0.00 176.83 174.81 1up6 s HIS 388 N -3.08 3.13 0.55 4.77 5.04 -1.18 -4.82 115.29 119.71 1up6 s HIS 388 Ca 0.03 0.76 0.32 0.00 -1.54 0.00 0.00 55.06 54.63 1up6 s HIS 388 Cb 0.07 -3.82 1.48 0.00 0.04 0.00 0.00 32.58 30.35 1up6 s HIS 388 CO 0.74 -2.98 1.84 -1.35 -2.34 0.00 0.00 174.74 170.66 1up6 h PRO 389 N 6.83 0.00 -0.46 2.88 0.11 -1.91 -0.55 132.00 138.90 1up6 h PRO 389 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1up6 h PRO 389 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1up6 h PRO 389 CO 0.89 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.96 1up6 n LEU 390 N -4.07 3.31 -4.83 2.35 4.77 -1.26 -5.01 117.00 112.25 1up6 n LEU 390 Ca 0.18 -2.06 -0.30 0.00 -0.03 0.00 0.00 56.01 53.81 1up6 n LEU 390 Cb 1.00 -0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.94 1up6 n LEU 390 CO 0.36 0.80 0.78 -0.83 -1.33 0.00 0.00 177.39 177.18 1up6 s GLY 391 N -1.03 1.68 0.53 -0.72 0.00 -0.22 -4.59 107.32 102.97 1up6 s GLY 391 Ca 0.32 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 1up6 s GLY 391 CO 0.21 -0.23 1.02 2.56 0.00 0.00 0.00 173.10 176.65 1up6 s PRO 392 N -5.64 3.73 0.76 2.90 0.04 -1.26 -4.99 135.00 130.54 1up6 s PRO 392 Ca 0.70 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1up6 s PRO 392 Cb -0.08 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1up6 s PRO 392 CO 0.53 -0.46 1.13 -0.51 0.04 0.00 0.00 177.00 177.72 1up6 s ASP 393 N -2.68 4.31 0.30 6.66 1.11 -1.26 -4.68 116.67 120.44 1up6 s ASP 393 Ca 0.62 2.04 0.07 0.00 0.18 0.00 0.00 52.55 55.46 1up6 s ASP 393 Cb -0.13 -2.55 0.79 0.00 1.07 0.00 0.00 42.92 42.10 1up6 s ASP 393 CO 0.29 -2.17 1.73 0.58 1.18 0.00 0.00 175.17 176.78 1up6 h VAL 394 N -0.79 0.57 0.00 -1.27 2.07 -1.97 -0.96 116.25 113.90 1up6 h VAL 394 Ca -0.45 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1up6 h VAL 394 Cb 1.25 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1up6 h VAL 394 CO 0.50 0.11 0.00 1.05 0.02 0.00 0.00 177.57 179.24 1up6 h GLU 395 N 0.58 0.00 0.00 1.57 4.11 -2.05 -3.02 114.58 115.77 1up6 h GLU 395 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 1up6 h GLU 395 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1up6 h GLU 395 CO -0.46 0.00 -0.60 -0.25 0.07 0.00 0.00 179.01 177.77 1up6 n ASP 396 N -2.72 0.65 -0.12 3.06 8.00 -0.39 -4.78 116.55 120.25 1up6 n ASP 396 Ca -0.01 -0.72 -0.11 0.00 0.71 0.00 0.00 54.79 54.67 1up6 n ASP 396 Cb 0.14 1.04 -0.03 0.00 -0.02 0.00 0.00 41.12 42.25 1up6 n ASP 396 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up6 h ALA 397 N 1.56 0.46 -0.34 2.24 0.00 -1.35 -1.33 119.26 120.50 1up6 h ALA 397 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1up6 h ALA 397 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1up6 h ALA 397 CO 0.00 0.23 0.19 0.87 0.00 0.00 0.00 179.25 180.54 1up6 h LYS 398 N 0.41 0.47 -0.38 0.00 1.57 -1.86 -0.78 116.57 116.00 1up6 h LYS 398 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1up6 h LYS 398 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1up6 h LYS 398 CO 0.02 0.39 0.05 -0.44 -0.57 0.00 0.00 179.45 178.89 1up6 h ASP 399 N 0.43 0.61 -0.29 0.86 5.19 -1.88 -1.82 116.42 119.52 1up6 h ASP 399 Ca 0.12 -0.27 0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1up6 h ASP 399 Cb 0.05 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 1up6 h ASP 399 CO -0.02 0.73 0.08 0.25 -3.12 0.00 0.00 179.24 177.16 1up6 h LEU 400 N 0.47 0.07 -0.75 1.55 5.85 -1.11 -1.69 115.31 119.70 1up6 h LEU 400 Ca 0.11 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1up6 h LEU 400 Cb 0.39 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1up6 h LEU 400 CO 0.01 0.08 0.29 0.25 -0.34 0.00 0.00 178.44 178.73 1up6 h LEU 401 N 0.20 1.04 -0.52 2.25 5.85 -1.02 -1.10 115.31 122.02 1up6 h LEU 401 Ca 0.13 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1up6 h LEU 401 Cb 0.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1up6 h LEU 401 CO -0.15 0.94 0.31 -0.08 -0.34 0.00 0.00 178.44 179.12 1up6 h GLU 402 N 1.09 0.70 -0.58 1.25 4.57 -1.02 0.14 114.58 120.74 1up6 h GLU 402 Ca 0.25 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1up6 h GLU 402 Cb 0.22 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1up6 h GLU 402 CO -0.02 0.51 0.22 1.49 -1.18 0.00 0.00 179.01 180.03 1up6 h GLU 403 N 0.69 0.87 -0.41 1.92 4.81 -0.79 -0.35 114.58 121.32 1up6 h GLU 403 Ca 0.18 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1up6 h GLU 403 Cb -0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1up6 h GLU 403 CO -0.03 0.76 0.17 0.82 -0.73 0.00 0.00 179.01 180.00 1up6 h ILE 404 N 0.80 1.19 -0.09 2.32 2.04 -0.92 -1.23 117.51 121.62 1up6 h ILE 404 Ca 0.19 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1up6 h ILE 404 Cb 0.22 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1up6 h ILE 404 CO -0.01 0.22 -0.43 -0.07 0.00 0.00 0.00 178.15 177.85 1up6 h LEU 405 N 0.53 0.23 -0.49 1.44 3.38 -0.55 -1.29 115.31 118.55 1up6 h LEU 405 Ca 0.14 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1up6 h LEU 405 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1up6 h LEU 405 CO -0.01 0.64 -0.19 -0.33 0.09 0.00 0.00 178.44 178.63 1up6 h GLU 406 N 0.18 1.00 -0.23 1.13 5.08 -0.92 -2.78 114.58 118.04 1up6 h GLU 406 Ca 0.01 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1up6 h GLU 406 Cb 0.84 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1up6 h GLU 406 CO 0.07 1.09 -0.28 0.00 -1.00 0.00 0.00 179.01 178.90 1up6 h ALA 407 N 0.88 1.10 -0.77 3.43 0.00 -0.94 -3.14 119.26 119.81 1up6 h ALA 407 Ca 0.12 -0.35 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 1up6 h ALA 407 Cb 0.77 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.29 1up6 h ALA 407 CO 0.06 0.56 0.34 0.09 0.00 0.00 0.00 179.25 180.30 1up6 n ASN 408 N -4.11 4.62 -0.32 0.00 3.02 -0.51 -4.71 115.26 113.25 1up6 n ASN 408 Ca -0.01 -3.25 0.21 0.00 -0.03 0.00 0.00 54.58 51.50 1up6 n ASN 408 Cb 0.42 -0.76 0.42 0.00 -0.61 0.00 0.00 39.78 39.24 1up6 n ASN 408 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1up6 h ARG 409 N 2.34 0.25 0.00 3.52 3.08 -1.44 -1.09 114.38 121.04 1up6 h ARG 409 Ca 0.33 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1up6 h ARG 409 Cb 2.41 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.40 1up6 h ARG 409 CO 0.79 0.16 0.00 0.39 -1.07 0.00 0.00 179.97 180.25 1up6 n GLU 410 N -5.14 0.31 0.00 0.04 4.71 -1.26 -4.23 120.64 115.06 1up6 n GLU 410 Ca 0.29 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 1up6 n GLU 410 Cb 0.90 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 1up6 n GLU 410 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1up6 n TYR 411 N -1.34 0.00 -3.81 -0.32 4.01 -0.53 -5.05 117.16 110.12 1up6 n TYR 411 Ca 0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1up6 n TYR 411 Cb 0.26 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.16 1up6 n TYR 411 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1up6 s VAL 412 N -1.30 -0.02 -0.15 -0.72 1.01 -0.53 -4.73 120.40 113.96 1up6 s VAL 412 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1up6 s VAL 412 Cb 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.27 1up6 s VAL 412 CO 0.00 0.03 0.06 -0.75 0.00 0.00 0.00 175.10 174.44 1up6 s LYS 413 N 0.44 0.24 0.01 2.72 2.20 -1.26 -4.42 119.74 119.67 1up6 s LYS 413 Ca -0.03 -0.08 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 1up6 s LYS 413 Cb -0.05 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.64 1up6 s LYS 413 CO -0.02 -0.57 -0.24 -0.51 -0.36 0.00 0.00 175.35 173.65 1up6 s LEU 414 N 2.06 2.22 0.00 5.43 1.02 -1.26 -4.90 118.68 123.24 1up6 s LEU 414 Ca 0.02 -0.48 0.16 0.00 0.02 0.00 0.00 54.13 53.85 1up6 s LEU 414 Cb -0.15 -1.36 0.13 0.00 0.02 0.00 0.00 46.19 44.82 1up6 s LEU 414 CO -0.07 0.29 1.01 0.61 0.02 0.00 0.00 176.35 178.21