#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up6 s ILE 3 N 0.00 3.78 -0.07 8.89 1.01 -0.39 -0.79 121.20 133.63 1up6 s ILE 3 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1up6 s ILE 3 Cb 0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1up6 s ILE 3 CO 0.00 0.44 0.36 0.00 0.00 0.00 0.00 174.94 175.74 1up6 s ALA 4 N 0.94 3.65 -0.35 9.38 0.00 0.26 -0.94 121.76 134.70 1up6 s ALA 4 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 1up6 s ALA 4 Cb -0.14 -2.39 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1up6 s ALA 4 CO 0.01 0.31 0.09 0.08 0.00 0.00 0.00 175.76 176.25 1up6 s VAL 5 N -0.38 2.85 -0.51 0.00 1.01 0.62 -0.32 120.40 123.68 1up6 s VAL 5 Ca 0.21 -1.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.04 1up6 s VAL 5 Cb -0.15 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.38 1up6 s VAL 5 CO 0.09 -0.47 0.78 -0.63 0.00 0.00 0.00 175.10 174.88 1up6 s ILE 6 N 1.10 4.63 0.00 2.22 -1.09 -0.04 -1.70 121.20 126.33 1up6 s ILE 6 Ca 0.04 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1up6 s ILE 6 Cb -0.21 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1up6 s ILE 6 CO -0.04 -0.90 0.00 0.61 -1.23 0.00 0.00 174.94 173.37 1up6 n GLY 7 N 5.11 0.92 0.33 6.18 0.00 0.55 -0.46 105.19 117.82 1up6 n GLY 7 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 0.44 1.61 -0.02 0.00 -1.36 -0.81 103.07 102.92 1up6 h GLY 8 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1up6 h GLY 8 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.26 1up6 n GLY 9 N -1.52 -0.87 3.61 4.60 0.00 -1.26 -4.76 105.19 104.98 1up6 n GLY 9 Ca 0.06 -0.08 -0.42 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 -1.30 1.28 0.00 1.61 2.88 -0.31 -4.77 113.62 113.00 1up6 n SER 10 Ca 0.08 1.06 0.09 0.00 -1.33 0.00 0.00 58.87 58.77 1up6 n SER 10 Cb 0.14 -1.34 0.41 0.00 -0.75 0.00 0.00 64.21 62.67 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 0.11 -3.46 3.41 -1.26 -2.27 113.62 110.79 1up6 n SER 11 Ca 0.09 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1up6 n SER 11 Cb 0.38 -0.45 0.15 0.00 -0.26 0.00 0.00 64.21 64.02 1up6 n SER 11 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1up6 h TYR 12 N 0.00 0.00 -0.81 7.33 0.05 -1.95 -3.41 116.97 118.18 1up6 h TYR 12 Ca 0.00 0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.97 1up6 h TYR 12 Cb 0.29 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.90 1up6 h TYR 12 CO 0.00 0.00 0.22 1.15 -1.05 0.00 0.00 178.16 178.48 1up6 h THR 13 N 0.00 0.43 -0.93 -2.88 2.02 -1.75 -0.62 112.91 109.17 1up6 h THR 13 Ca 0.00 -0.09 0.15 0.00 0.77 0.00 0.00 66.41 67.24 1up6 h THR 13 Cb 0.88 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 67.34 1up6 h THR 13 CO 0.00 0.05 0.53 -0.65 0.37 0.00 0.00 175.52 175.82 1up6 h PRO 14 N 0.26 0.73 -0.34 6.66 0.11 -1.82 -1.32 132.00 136.27 1up6 h PRO 14 Ca 0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.50 1up6 h PRO 14 Cb 0.89 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1up6 h PRO 14 CO -0.57 0.48 0.03 0.93 -0.21 0.00 0.00 178.00 178.66 1up6 h GLU 15 N 0.75 0.58 -0.51 1.05 4.39 -1.44 -0.68 114.58 118.72 1up6 h GLU 15 Ca 0.50 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 60.11 1up6 h GLU 15 Cb 0.69 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 1up6 h GLU 15 CO -0.35 0.68 0.15 1.25 -1.16 0.00 0.00 179.01 179.58 1up6 h LEU 16 N 0.40 0.12 -0.54 1.33 5.85 -1.10 -1.70 115.31 119.67 1up6 h LEU 16 Ca 0.10 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1up6 h LEU 16 Cb 0.39 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1up6 h LEU 16 CO 0.01 0.09 -0.05 0.58 -0.34 0.00 0.00 178.44 178.73 1up6 h VAL 17 N 0.31 1.27 -0.16 1.05 2.07 -1.12 0.59 116.25 120.26 1up6 h VAL 17 Ca 0.25 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1up6 h VAL 17 Cb 0.30 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1up6 h VAL 17 CO -0.28 0.42 -0.28 0.50 0.02 0.00 0.00 177.57 177.95 1up6 h LYS 18 N 0.87 -0.32 -0.73 1.57 3.64 -0.57 0.20 116.57 121.22 1up6 h LYS 18 Ca 0.15 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1up6 h LYS 18 Cb 0.60 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.41 1up6 h LYS 18 CO 0.04 -0.21 0.33 0.78 -2.27 0.00 0.00 179.45 178.12 1up6 h GLY 19 N -0.33 1.11 1.72 5.01 0.00 -0.97 0.11 103.07 109.72 1up6 h GLY 19 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1up6 h GLY 19 CO -0.35 -0.01 -0.15 1.41 0.00 0.00 0.00 176.54 177.45 1up6 h LEU 20 N 0.54 0.33 -0.49 3.11 3.38 0.04 -2.05 115.31 120.16 1up6 h LEU 20 Ca 0.38 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1up6 h LEU 20 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1up6 h LEU 20 CO -0.33 0.50 0.12 -0.07 0.09 0.00 0.00 178.44 178.76 1up6 h LEU 21 N 0.32 0.74 -1.23 1.67 3.38 0.11 -2.66 115.31 117.64 1up6 h LEU 21 Ca 0.06 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1up6 h LEU 21 Cb 0.45 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1up6 h LEU 21 CO 0.03 0.78 0.52 0.44 0.09 0.00 0.00 178.44 180.30 1up6 h ASP 22 N 0.67 0.88 1.41 -0.43 3.32 -0.17 -2.72 116.42 119.39 1up6 h ASP 22 Ca 0.15 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1up6 h ASP 22 Cb 0.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1up6 h ASP 22 CO 0.00 0.63 -0.16 0.16 -1.72 0.00 0.00 179.24 178.15 1up6 h ILE 23 N 1.03 0.00 0.00 0.35 3.07 -1.42 -3.34 117.51 117.20 1up6 h ILE 23 Ca 0.30 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1up6 h ILE 23 Cb -0.06 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 1up6 h ILE 23 CO -0.07 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.49 1up6 n SER 24 N -2.36 0.00 0.03 2.16 3.41 -1.01 -0.49 113.62 115.36 1up6 n SER 24 Ca 0.05 -0.10 -0.18 0.00 -0.26 0.00 0.00 58.87 58.37 1up6 n SER 24 Cb 0.45 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.24 0.00 4.33 4.39 -1.74 -3.38 114.58 118.41 1up6 h GLU 25 Ca 0.00 -0.40 -0.08 0.00 0.34 0.00 0.00 59.36 59.21 1up6 h GLU 25 Cb 0.06 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1up6 h GLU 25 CO 0.00 1.07 -1.11 -0.44 -1.16 0.00 0.00 179.01 177.38 1up6 h ASP 26 N 0.06 0.00 -4.97 1.42 3.32 -1.04 -3.48 116.42 111.74 1up6 h ASP 26 Ca -0.32 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.55 1up6 h ASP 26 Cb 2.04 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 41.37 1up6 h ASP 26 CO 0.13 0.30 -0.70 0.68 -1.72 0.00 0.00 179.24 177.93 1up6 s VAL 27 N -3.13 0.13 -0.18 -1.35 -7.23 0.03 -5.03 120.40 103.63 1up6 s VAL 27 Ca -0.01 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 1up6 s VAL 27 Cb 0.09 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.76 1up6 s VAL 27 CO 0.79 -0.49 1.03 -0.60 -0.31 0.00 0.00 175.10 175.52 1up6 s ARG 28 N -1.46 4.32 -0.21 4.82 6.06 -1.26 -4.16 118.95 127.06 1up6 s ARG 28 Ca -0.16 1.38 0.00 0.00 -2.50 0.00 0.00 55.73 54.46 1up6 s ARG 28 Cb -0.10 -3.61 0.05 0.00 0.06 0.00 0.00 34.95 31.35 1up6 s ARG 28 CO -0.01 -0.52 -0.06 0.42 -2.50 0.00 0.00 175.30 172.63 1up6 s ILE 29 N 2.79 1.41 -0.02 4.11 1.01 -1.26 -4.95 121.20 124.29 1up6 s ILE 29 Ca 0.46 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1up6 s ILE 29 Cb -0.16 -1.62 -0.33 0.00 0.01 0.00 0.00 42.46 40.36 1up6 s ILE 29 CO 0.10 0.02 0.84 0.44 0.00 0.00 0.00 174.94 176.34 1up6 h ASP 30 N 8.01 0.69 -4.53 3.58 3.32 -1.95 -3.44 116.42 122.10 1up6 h ASP 30 Ca -0.22 -0.92 -0.05 0.00 0.02 0.00 0.00 57.03 55.86 1up6 h ASP 30 Cb 1.09 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.22 1up6 h ASP 30 CO 0.42 1.69 0.18 -1.83 -1.72 0.00 0.00 179.24 177.98 1up6 s GLU 31 N -2.56 0.95 -0.19 3.56 -1.05 -1.26 -1.78 118.70 116.37 1up6 s GLU 31 Ca -0.13 0.56 0.01 0.00 -0.15 0.00 0.00 54.97 55.26 1up6 s GLU 31 Cb 0.04 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1up6 s GLU 31 CO 0.89 -0.23 -0.17 0.08 0.95 0.00 0.00 175.26 176.77 1up6 s VAL 32 N -0.52 2.20 -0.10 1.83 1.01 -0.35 -1.26 120.40 123.20 1up6 s VAL 32 Ca -0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 1up6 s VAL 32 Cb -0.02 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1up6 s VAL 32 CO 0.06 0.47 -0.10 -0.51 0.00 0.00 0.00 175.10 175.02 1up6 s ILE 33 N 1.29 3.42 -0.04 2.22 2.07 -0.12 -1.56 121.20 128.48 1up6 s ILE 33 Ca 0.04 -0.55 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 1up6 s ILE 33 Cb -0.14 -2.42 -0.03 0.00 0.13 0.00 0.00 42.46 40.00 1up6 s ILE 33 CO -0.11 0.55 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.03 1up6 s PHE 34 N -0.15 2.91 0.01 3.50 0.08 0.10 -0.27 117.98 124.15 1up6 s PHE 34 Ca 0.01 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1up6 s PHE 34 Cb -0.13 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1up6 s PHE 34 CO 0.03 0.34 -0.02 -0.47 -0.10 0.00 0.00 175.22 174.99 1up6 s TYR 35 N -0.86 0.19 -0.03 0.36 5.04 -0.69 -1.14 117.35 120.22 1up6 s TYR 35 Ca 0.14 -0.25 -0.22 0.00 -2.44 0.00 0.00 57.07 54.30 1up6 s TYR 35 Cb -0.11 -0.13 0.04 0.00 0.35 0.00 0.00 41.96 42.12 1up6 s TYR 35 CO 0.03 -0.08 0.47 0.34 -1.34 0.00 0.00 175.55 174.97 1up6 s ASP 36 N -0.71 -0.39 0.47 4.32 -1.08 -1.26 -0.33 116.67 117.69 1up6 s ASP 36 Ca -0.07 0.35 0.26 0.00 -0.52 0.00 0.00 52.55 52.57 1up6 s ASP 36 Cb -0.05 0.41 0.76 0.00 -1.46 0.00 0.00 42.92 42.58 1up6 s ASP 36 CO -0.00 -0.52 1.76 0.16 0.52 0.00 0.00 175.17 177.09 1up6 h ILE 37 N 3.49 0.16 -3.68 4.11 3.07 -1.99 -3.40 117.51 119.27 1up6 h ILE 37 Ca -0.29 -0.95 -0.75 0.00 1.55 0.00 0.00 64.86 64.42 1up6 h ILE 37 Cb 1.16 1.83 -0.29 0.00 -0.27 0.00 0.00 36.82 39.25 1up6 h ILE 37 CO 0.40 0.08 -0.09 -0.62 -1.05 0.00 0.00 178.15 176.86 1up6 s ASP 38 N -6.05 6.16 0.29 2.16 -1.08 -1.26 -4.94 116.67 111.95 1up6 s ASP 38 Ca 0.04 -2.70 0.00 0.00 -0.52 0.00 0.00 52.55 49.37 1up6 s ASP 38 Cb 0.07 -2.07 0.43 0.00 -1.46 0.00 0.00 42.92 39.89 1up6 s ASP 38 CO 0.63 -0.51 1.80 -0.08 0.52 0.00 0.00 175.17 177.53 1up6 h GLU 39 N 7.56 0.70 -0.22 4.34 4.81 -2.00 -2.38 114.58 127.38 1up6 h GLU 39 Ca 0.04 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1up6 h GLU 39 Cb 1.01 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1up6 h GLU 39 CO 0.75 0.71 -0.32 0.93 -0.73 0.00 0.00 179.01 180.35 1up6 h GLU 40 N 0.66 0.61 0.25 1.92 5.08 -1.97 -2.03 114.58 119.09 1up6 h GLU 40 Ca 0.13 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1up6 h GLU 40 Cb 0.40 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1up6 h GLU 40 CO 0.02 0.97 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.55 1up6 h LYS 41 N 0.30 -0.48 -0.96 2.33 3.64 -1.94 -3.13 116.57 116.35 1up6 h LYS 41 Ca 0.02 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1up6 h LYS 41 Cb 0.90 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 1up6 h LYS 41 CO 0.07 -0.32 0.61 0.37 -2.27 0.00 0.00 179.45 177.92 1up6 h GLN 42 N -0.49 1.05 -0.80 1.90 4.15 -1.43 -2.47 115.11 117.01 1up6 h GLN 42 Ca -0.01 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.43 1up6 h GLN 42 Cb 0.45 -0.24 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 1up6 h GLN 42 CO -0.04 0.69 0.46 -0.22 -1.93 0.00 0.00 178.83 177.80 1up6 h LYS 43 N 1.08 0.77 -0.17 1.69 3.64 -1.30 0.23 116.57 122.51 1up6 h LYS 43 Ca 0.43 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1up6 h LYS 43 Cb 0.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1up6 h LYS 43 CO -0.19 0.51 -0.02 0.82 -2.27 0.00 0.00 179.45 178.30 1up6 h ILE 44 N 0.80 1.27 -0.23 2.00 1.08 -1.47 -2.11 117.51 118.86 1up6 h ILE 44 Ca 0.38 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1up6 h ILE 44 Cb 0.31 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1up6 h ILE 44 CO -0.23 0.28 0.14 0.58 -0.69 0.00 0.00 178.15 178.24 1up6 h VAL 45 N 0.04 1.05 -0.06 1.67 2.07 -1.15 -2.24 116.25 117.63 1up6 h VAL 45 Ca 0.05 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1up6 h VAL 45 Cb 0.44 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1up6 h VAL 45 CO 0.01 0.05 -0.41 0.58 0.02 0.00 0.00 177.57 177.82 1up6 h VAL 46 N 0.29 1.31 -0.57 2.57 2.07 -0.61 -0.26 116.25 121.05 1up6 h VAL 46 Ca 0.09 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1up6 h VAL 46 Cb -0.02 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1up6 h VAL 46 CO -0.03 0.44 0.17 0.44 0.02 0.00 0.00 177.57 178.61 1up6 h ASP 47 N 0.12 0.84 -0.19 0.57 5.19 -1.18 0.64 116.42 122.40 1up6 h ASP 47 Ca 0.01 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1up6 h ASP 47 Cb 0.78 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1up6 h ASP 47 CO 0.06 0.83 0.13 0.15 -3.12 0.00 0.00 179.24 177.28 1up6 h PHE 48 N 0.81 0.24 -0.41 4.55 3.57 -0.78 -2.81 116.94 122.11 1up6 h PHE 48 Ca 0.18 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1up6 h PHE 48 Cb 0.29 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.86 1up6 h PHE 48 CO 0.02 0.15 -0.24 0.28 -2.23 0.00 0.00 178.31 176.29 1up6 h VAL 49 N 0.26 0.35 -0.63 1.41 2.07 -0.72 -1.59 116.25 117.40 1up6 h VAL 49 Ca 0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.74 1up6 h VAL 49 Cb -0.03 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1up6 h VAL 49 CO -0.02 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.12 1up6 h LYS 50 N -0.16 0.21 0.00 1.57 1.57 -0.64 0.28 116.57 119.39 1up6 h LYS 50 Ca 0.19 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1up6 h LYS 50 Cb 0.47 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1up6 h LYS 50 CO -0.51 0.14 -0.70 0.00 -0.57 0.00 0.00 179.45 177.81 1up6 h ARG 51 N 0.21 0.00 0.24 3.15 3.08 -1.06 -2.71 114.38 117.29 1up6 h ARG 51 Ca 0.30 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.01 1up6 h ARG 51 Cb 0.90 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.98 1up6 h ARG 51 CO -0.06 0.70 -1.54 -0.07 -1.07 0.00 0.00 179.97 177.93 1up6 h LEU 52 N 0.00 0.80 -0.27 3.04 3.38 -0.32 -3.37 115.31 118.57 1up6 h LEU 52 Ca -0.01 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.96 1up6 h LEU 52 Cb 1.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1up6 h LEU 52 CO 0.09 1.73 -0.18 0.58 0.09 0.00 0.00 178.44 180.75 1up6 h VAL 53 N 0.14 1.30 -6.07 1.22 2.07 -0.64 -3.48 116.25 110.80 1up6 h VAL 53 Ca -0.28 -1.30 -0.42 0.00 0.82 0.00 0.00 66.70 65.53 1up6 h VAL 53 Cb 2.16 1.57 0.05 0.00 -1.52 0.00 0.00 31.29 33.55 1up6 h VAL 53 CO 0.26 0.41 -0.80 0.29 0.02 0.00 0.00 177.57 177.75 1up6 n LYS 54 N -4.40 -5.42 -1.48 1.57 5.02 -1.02 -2.47 118.16 109.95 1up6 n LYS 54 Ca -0.04 0.65 -0.17 0.00 -2.02 0.00 0.00 58.31 56.74 1up6 n LYS 54 Cb 0.39 -5.36 -0.07 0.00 -0.02 0.00 0.00 35.03 29.97 1up6 n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1up6 n ASP 55 N -3.02 -5.48 0.21 4.39 8.00 -1.26 -4.84 116.55 114.55 1up6 n ASP 55 Ca -0.21 0.41 0.08 0.00 0.71 0.00 0.00 54.79 55.78 1up6 n ASP 55 Cb 0.64 -4.53 0.45 0.00 -0.02 0.00 0.00 41.12 37.66 1up6 n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1up6 h ARG 56 N 0.00 0.00 -4.18 -1.24 3.08 -1.88 -3.43 114.38 106.74 1up6 h ARG 56 Ca -0.34 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.55 1up6 h ARG 56 Cb 1.27 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.19 1up6 h ARG 56 CO 0.50 0.28 -0.44 -0.59 -1.07 0.00 0.00 179.97 178.65 1up6 s PHE 57 N -3.75 0.74 0.14 3.04 -0.12 -1.26 -4.99 117.98 111.78 1up6 s PHE 57 Ca -0.00 -1.05 -0.30 0.00 -0.05 0.00 0.00 56.93 55.52 1up6 s PHE 57 Cb 0.11 -0.25 -0.07 0.00 -0.63 0.00 0.00 43.02 42.18 1up6 s PHE 57 CO 0.65 -0.72 1.07 0.21 -0.05 0.00 0.00 175.22 176.38 1up6 s LYS 58 N -4.06 4.61 -0.18 1.99 2.47 -0.73 -4.90 119.74 118.93 1up6 s LYS 58 Ca 0.27 1.64 -0.02 0.00 -1.56 0.00 0.00 55.97 56.30 1up6 s LYS 58 Cb 0.04 -3.32 -0.01 0.00 -1.46 0.00 0.00 37.83 33.09 1up6 s LYS 58 CO 0.07 0.08 -0.09 0.08 0.16 0.00 0.00 175.35 175.64 1up6 s VAL 59 N 0.01 3.13 0.08 4.02 1.01 -1.26 -1.21 120.40 126.18 1up6 s VAL 59 Ca 0.50 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1up6 s VAL 59 Cb -0.27 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1up6 s VAL 59 CO 0.33 0.47 -0.10 -0.76 0.00 0.00 0.00 175.10 175.04 1up6 s LEU 60 N 1.04 2.36 -0.07 3.92 1.43 -0.60 -5.00 118.68 121.76 1up6 s LEU 60 Ca -0.00 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1up6 s LEU 60 Cb -0.15 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 1up6 s LEU 60 CO -0.01 -0.23 -0.20 -0.63 0.23 0.00 0.00 176.35 175.51 1up6 s ILE 61 N -2.09 2.50 0.15 -0.59 1.01 -1.26 0.00 121.20 120.92 1up6 s ILE 61 Ca 0.01 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.86 1up6 s ILE 61 Cb -0.05 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1up6 s ILE 61 CO 0.00 0.56 -0.17 -0.55 0.00 0.00 0.00 174.94 174.79 1up6 s SER 62 N -0.16 3.88 0.11 3.58 0.15 -0.29 -4.89 113.70 116.08 1up6 s SER 62 Ca -0.03 -0.64 0.24 0.00 0.70 0.00 0.00 55.95 56.23 1up6 s SER 62 Cb -0.14 -0.52 0.30 0.00 -1.71 0.00 0.00 66.02 63.95 1up6 s SER 62 CO 0.04 0.14 1.28 0.47 1.20 0.00 0.00 173.24 176.37 1up6 n ASP 63 N 0.47 0.69 -4.20 5.45 8.00 -1.26 -4.58 116.55 121.12 1up6 n ASP 63 Ca -0.14 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 1up6 n ASP 63 Cb 0.54 0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.78 1up6 n ASP 63 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1up6 s THR 64 N -3.17 1.06 0.16 -3.53 -4.23 -1.26 -5.02 115.64 99.66 1up6 s THR 64 Ca 0.06 -1.71 -0.15 0.00 -1.18 0.00 0.00 61.69 58.71 1up6 s THR 64 Cb 0.13 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.55 1up6 s THR 64 CO 0.73 -0.55 1.79 0.15 -0.54 0.00 0.00 174.62 176.20 1up6 h PHE 65 N 3.45 0.44 -0.71 3.99 3.57 -1.97 -2.99 116.94 122.71 1up6 h PHE 65 Ca -0.38 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.20 1up6 h PHE 65 Cb 1.19 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.74 1up6 h PHE 65 CO 0.64 0.24 0.41 1.49 -2.23 0.00 0.00 178.31 178.86 1up6 h GLU 66 N 0.47 0.74 -0.12 1.11 4.81 -1.98 -0.72 114.58 118.89 1up6 h GLU 66 Ca 0.18 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1up6 h GLU 66 Cb 0.06 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1up6 h GLU 66 CO -0.11 0.49 0.10 0.78 -0.73 0.00 0.00 179.01 179.53 1up6 h GLY 67 N 0.76 0.00 0.97 1.92 0.00 -1.92 -1.58 103.07 103.21 1up6 h GLY 67 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.36 1up6 h GLY 67 CO -0.18 0.00 -1.28 0.00 0.00 0.00 0.00 176.54 175.08 1up6 h ALA 68 N 1.92 -0.08 0.00 3.60 0.00 -1.01 -3.39 119.26 120.30 1up6 h ALA 68 Ca 0.05 -0.85 -0.13 0.00 0.00 0.00 0.00 54.91 53.99 1up6 h ALA 68 Cb 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1up6 h ALA 68 CO -0.00 0.63 -1.21 -0.39 0.00 0.00 0.00 179.25 178.28 1up6 h VAL 69 N -0.07 0.44 -1.66 0.00 -1.51 -1.16 -3.41 116.25 108.87 1up6 h VAL 69 Ca -0.23 -1.82 -0.68 0.00 -1.23 0.00 0.00 66.70 62.74 1up6 h VAL 69 Cb 1.96 1.97 0.05 0.00 -2.13 0.00 0.00 31.29 33.14 1up6 h VAL 69 CO 0.21 0.25 0.45 0.55 -1.23 0.00 0.00 177.57 177.80 1up6 n VAL 70 N -2.89 0.00 -1.15 7.19 3.14 -0.62 -1.56 118.33 122.44 1up6 n VAL 70 Ca -0.06 -0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.24 1up6 n VAL 70 Cb 0.77 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.71 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 2.53 -5.00 -4.80 6.55 8.00 -1.26 -4.97 116.55 117.60 1up6 n ASP 71 Ca 0.19 0.20 -0.37 0.00 0.71 0.00 0.00 54.79 55.51 1up6 n ASP 71 Cb 0.19 -3.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.62 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 -1.59 3.40 -0.11 2.24 0.00 -0.60 -4.49 121.76 120.61 1up6 s ALA 72 Ca 0.00 0.27 0.16 0.00 0.00 0.00 0.00 51.96 52.40 1up6 s ALA 72 Cb 0.00 -2.91 -0.19 0.00 0.00 0.00 0.00 23.12 20.02 1up6 s ALA 72 CO 0.00 0.30 0.62 1.17 0.00 0.00 0.00 175.76 177.85 1up6 n LYS 73 N 1.00 0.64 -4.40 0.00 4.81 0.03 -4.32 118.16 115.92 1up6 n LYS 73 Ca -0.03 0.17 -0.19 0.00 -0.87 0.00 0.00 58.31 57.38 1up6 n LYS 73 Cb 0.50 -1.73 -0.15 0.00 0.02 0.00 0.00 35.03 33.67 1up6 n LYS 73 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1up6 s TYR 74 N -2.82 0.88 -0.11 5.64 2.02 -1.20 -2.29 117.35 119.48 1up6 s TYR 74 Ca -0.05 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1up6 s TYR 74 Cb 0.08 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 41.09 1up6 s TYR 74 CO 0.83 -0.03 -0.06 0.08 -1.57 0.00 0.00 175.55 174.79 1up6 s VAL 75 N -0.13 0.88 -0.33 0.71 1.01 -0.33 -0.57 120.40 121.64 1up6 s VAL 75 Ca 0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1up6 s VAL 75 Cb -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1up6 s VAL 75 CO -0.00 0.34 0.29 -0.63 0.00 0.00 0.00 175.10 175.10 1up6 s ILE 76 N 1.77 5.24 -0.35 2.22 1.01 0.56 -0.79 121.20 130.85 1up6 s ILE 76 Ca 0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1up6 s ILE 76 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1up6 s ILE 76 CO -0.08 0.01 0.82 -0.36 0.00 0.00 0.00 174.94 175.33 1up6 s PHE 77 N 1.87 3.12 -0.06 3.97 0.08 -0.18 -0.86 117.98 125.92 1up6 s PHE 77 Ca 0.09 0.67 0.24 0.00 0.12 0.00 0.00 56.93 58.05 1up6 s PHE 77 Cb -0.17 -3.42 0.44 0.00 -0.57 0.00 0.00 43.02 39.30 1up6 s PHE 77 CO 0.11 -0.72 1.16 0.00 -0.10 0.00 0.00 175.22 175.67 1up6 n GLN 78 N 6.46 0.46 -3.14 0.44 10.64 0.39 -0.81 117.38 131.82 1up6 n GLN 78 Ca 0.04 -2.38 -0.29 0.00 -1.83 0.00 0.00 57.00 52.55 1up6 n GLN 78 Cb 0.48 -0.42 -0.03 0.00 -0.86 0.00 0.00 30.24 29.41 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 -0.92 3.48 -0.44 2.61 -0.12 -0.98 -4.65 117.98 116.96 1up6 s PHE 79 Ca 0.33 0.75 0.02 0.00 -0.05 0.00 0.00 56.93 57.98 1up6 s PHE 79 Cb 0.38 -2.20 0.12 0.00 -0.63 0.00 0.00 43.02 40.68 1up6 s PHE 79 CO -0.14 0.05 0.18 0.50 -0.05 0.00 0.00 175.22 175.76 1up6 s ARG 80 N -3.80 1.84 -0.11 1.99 3.52 -1.26 -4.56 118.95 116.58 1up6 s ARG 80 Ca 0.46 -2.17 -0.36 0.00 -0.13 0.00 0.00 55.73 53.53 1up6 s ARG 80 Cb -0.10 -3.36 -0.13 0.00 -1.56 0.00 0.00 34.95 29.79 1up6 s ARG 80 CO 0.32 -1.04 1.81 -2.30 -0.81 0.00 0.00 175.30 173.28 1up6 n PRO 81 N 3.87 1.91 -0.89 5.12 -0.02 -1.26 -1.08 135.00 142.65 1up6 n PRO 81 Ca 0.04 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1up6 n PRO 81 Cb 0.38 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 4.22 1.13 7.00 -1.23 0.00 -1.26 -4.83 105.19 110.22 1up6 n GLY 82 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 -0.62 0.24 -0.02 0.00 -0.24 -1.55 105.19 101.00 1up6 n GLY 83 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.60 0.99 3.38 -1.92 -2.39 115.31 114.76 1up6 h LEU 84 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1up6 h LEU 84 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1up6 h LEU 84 CO 0.00 0.18 0.05 0.50 0.09 0.00 0.00 178.44 179.26 1up6 h LYS 85 N 0.00 1.03 -0.47 1.13 1.63 -1.98 -0.20 116.57 117.72 1up6 h LYS 85 Ca -0.00 -0.31 0.09 0.00 -0.85 0.00 0.00 60.65 59.58 1up6 h LYS 85 Cb 0.52 -0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.97 1up6 h LYS 85 CO 0.02 0.99 0.04 0.78 -3.45 0.00 0.00 179.45 177.83 1up6 h GLY 86 N 0.94 0.52 1.20 5.01 0.00 -0.79 -1.97 103.07 107.97 1up6 h GLY 86 Ca 0.18 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1up6 h GLY 86 CO 0.02 -0.10 -0.02 -0.09 0.00 0.00 0.00 176.54 176.35 1up6 h ARG 87 N 0.16 0.96 -0.59 4.80 2.43 -1.12 -0.60 114.38 120.41 1up6 h ARG 87 Ca 0.24 -0.30 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1up6 h ARG 87 Cb 0.34 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1up6 h ARG 87 CO -0.36 0.96 0.28 0.93 -1.51 0.00 0.00 179.97 180.27 1up6 h GLU 88 N 0.88 0.50 -0.53 0.20 5.08 -0.87 -0.58 114.58 119.26 1up6 h GLU 88 Ca 0.16 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1up6 h GLU 88 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1up6 h GLU 88 CO 0.03 0.33 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.43 1up6 h ASN 89 N 0.52 0.96 -0.68 1.42 2.35 -0.88 -0.96 115.58 118.30 1up6 h ASN 89 Ca 0.28 -0.32 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1up6 h ASN 89 Cb 0.25 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 1up6 h ASN 89 CO -0.22 1.05 0.45 0.44 -1.65 0.00 0.00 177.43 177.50 1up6 h ASP 90 N 0.84 0.63 0.39 5.81 3.32 -0.60 -2.02 116.42 124.78 1up6 h ASP 90 Ca 0.15 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.88 1up6 h ASP 90 Cb 0.58 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1up6 h ASP 90 CO 0.03 0.41 -1.66 -0.33 -1.72 0.00 0.00 179.24 175.97 1up6 h GLU 91 N 0.72 0.21 0.19 3.56 5.08 -1.02 -3.35 114.58 119.97 1up6 h GLU 91 Ca 0.29 -0.36 -0.35 0.00 -1.00 0.00 0.00 59.36 57.94 1up6 h GLU 91 Cb 0.23 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1up6 h GLU 91 CO -0.09 1.03 -1.75 0.78 -1.00 0.00 0.00 179.01 177.98 1up6 h GLY 92 N 1.86 0.46 0.87 -3.84 0.00 -1.01 -3.38 103.07 98.03 1up6 h GLY 92 Ca -0.29 -1.19 -0.04 0.00 0.00 0.00 0.00 47.33 45.82 1up6 h GLY 92 CO 0.13 1.04 0.03 -2.22 0.00 0.00 0.00 176.54 175.52 1up6 h ILE 93 N 0.11 1.24 -0.81 2.60 2.04 -1.60 -3.09 117.51 117.99 1up6 h ILE 93 Ca -0.34 -0.82 0.16 0.00 1.00 0.00 0.00 64.86 64.86 1up6 h ILE 93 Cb 2.10 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 39.38 1up6 h ILE 93 CO 0.18 0.26 0.54 -0.65 0.00 0.00 0.00 178.15 178.49 1up6 h PRO 94 N 0.26 0.43 -0.97 2.37 0.11 -1.79 -2.54 132.00 129.88 1up6 h PRO 94 Ca 0.08 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.35 1up6 h PRO 94 Cb 0.36 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 1up6 h PRO 94 CO 0.01 0.28 0.61 -0.07 -0.21 0.00 0.00 178.00 178.62 1up6 h LEU 95 N 0.44 0.67 0.00 2.35 4.07 -1.50 -0.12 115.31 121.22 1up6 h LEU 95 Ca 0.41 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.44 1up6 h LEU 95 Cb 0.93 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1up6 h LEU 95 CO -0.14 0.27 0.00 0.29 -1.08 0.00 0.00 178.44 177.78 1up6 n LYS 96 N -4.65 0.04 -0.15 1.13 5.02 -0.95 -1.58 118.16 117.01 1up6 n LYS 96 Ca 0.21 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.75 1up6 n LYS 96 Cb 0.58 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.21 1up6 n LYS 96 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1up6 n TYR 97 N -1.47 0.35 -1.11 2.13 4.01 -0.12 -4.96 117.16 115.99 1up6 n TYR 97 Ca 0.05 -0.60 -0.04 0.00 -0.16 0.00 0.00 57.90 57.14 1up6 n TYR 97 Cb 0.19 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1up6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1up6 n GLY 98 N -0.13 0.66 3.73 2.72 0.00 -0.62 -5.01 105.19 106.55 1up6 n GLY 98 Ca 0.10 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.83 3.68 -0.13 0.99 1.02 -0.81 -5.00 118.68 117.59 1up6 s LEU 99 Ca 0.00 0.05 -0.38 0.00 0.02 0.00 0.00 54.13 53.82 1up6 s LEU 99 Cb 0.00 -2.15 -0.15 0.00 0.02 0.00 0.00 46.19 43.92 1up6 s LEU 99 CO 0.00 0.27 1.69 -0.38 0.02 0.00 0.00 176.35 177.95 1up6 n ILE 100 N 1.24 0.29 -3.75 -0.59 2.08 -1.26 -3.22 119.36 114.15 1up6 n ILE 100 Ca -0.14 -0.05 -0.37 0.00 0.56 0.00 0.00 62.75 62.75 1up6 n ILE 100 Cb 0.53 -1.33 -0.12 0.00 -0.75 0.00 0.00 39.64 37.96 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 2.91 1.80 -0.07 7.39 0.00 -1.26 -4.40 107.32 113.70 1up6 s GLY 101 Ca 0.93 -1.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.94 1up6 s GLY 101 CO 0.57 0.67 0.48 1.62 0.00 0.00 0.00 173.10 176.44 1up6 s GLN 102 N 1.49 0.79 0.27 2.90 -0.44 -1.26 -4.75 119.66 118.66 1up6 s GLN 102 Ca 0.02 0.16 0.00 0.00 -2.50 0.00 0.00 55.36 53.04 1up6 s GLN 102 Cb -0.18 0.37 0.62 0.00 -1.64 0.00 0.00 33.01 32.18 1up6 s GLN 102 CO 0.03 -0.21 1.68 1.49 0.50 0.00 0.00 175.29 178.78 1up6 h GLU 103 N 3.88 0.30 0.00 1.67 4.81 -1.89 -3.27 114.58 120.08 1up6 h GLU 103 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1up6 h GLU 103 Cb 1.16 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1up6 h GLU 103 CO 0.35 0.20 0.00 0.25 -0.73 0.00 0.00 179.01 179.08 1up6 n THR 104 N -5.13 0.00 -4.36 0.32 -2.24 -1.26 -3.87 114.28 97.73 1up6 n THR 104 Ca 0.19 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 1up6 n THR 104 Cb 0.59 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.50 2.89 0.00 4.28 2.01 -1.24 -4.42 115.64 118.66 1up6 s THR 105 Ca 0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1up6 s THR 105 Cb 0.00 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.26 1up6 s THR 105 CO 0.00 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 1up6 n GLY 106 N 4.20 -0.21 0.33 4.40 0.00 -1.26 -4.08 105.19 108.57 1up6 n GLY 106 Ca -0.19 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 1.09 -0.49 1.61 2.07 -1.82 -0.02 116.25 118.70 1up6 h VAL 107 Ca 0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1up6 h VAL 107 Cb 0.00 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1up6 h VAL 107 CO 0.00 0.13 0.18 1.23 0.02 0.00 0.00 177.57 179.13 1up6 h GLY 108 N 0.70 0.76 1.80 2.17 0.00 -1.69 -1.75 103.07 105.05 1up6 h GLY 108 Ca 0.22 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1up6 h GLY 108 CO -0.06 0.36 -0.64 -1.33 0.00 0.00 0.00 176.54 174.87 1up6 h GLY 109 N 0.86 0.22 0.88 4.60 0.00 -1.07 -2.34 103.07 106.22 1up6 h GLY 109 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1up6 h GLY 109 CO -0.01 0.26 -0.11 -2.75 0.00 0.00 0.00 176.54 173.92 1up6 h PHE 110 N 0.15 -0.29 -0.32 5.60 3.57 -0.64 0.72 116.94 125.71 1up6 h PHE 110 Ca -0.01 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1up6 h PHE 110 Cb 1.16 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1up6 h PHE 110 CO 0.02 -0.18 -0.36 0.66 -2.23 0.00 0.00 178.31 176.22 1up6 h SER 111 N -0.27 0.77 -0.23 0.41 4.64 -1.39 -1.66 113.55 115.83 1up6 h SER 111 Ca -0.00 -0.33 0.02 0.00 -0.47 0.00 0.00 61.79 61.01 1up6 h SER 111 Cb 0.24 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1up6 h SER 111 CO -0.02 1.06 0.07 0.00 -0.87 0.00 0.00 176.83 177.07 1up6 h ALA 112 N 0.98 0.24 -0.37 5.18 0.00 -1.29 -1.94 119.26 122.07 1up6 h ALA 112 Ca 0.06 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1up6 h ALA 112 Cb 0.90 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1up6 h ALA 112 CO 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 179.25 178.97 1up6 h ALA 113 N 1.15 0.32 -0.15 0.00 0.00 -0.58 -1.44 119.26 118.55 1up6 h ALA 113 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1up6 h ALA 113 Cb 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1up6 h ALA 113 CO -0.11 -0.41 0.08 -0.07 0.00 0.00 0.00 179.25 178.74 1up6 h LEU 114 N 0.09 0.18 -0.37 0.00 3.38 -0.90 0.01 115.31 117.70 1up6 h LEU 114 Ca 0.18 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 1up6 h LEU 114 Cb 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1up6 h LEU 114 CO -0.31 0.16 -0.74 -0.09 0.09 0.00 0.00 178.44 177.54 1up6 h ARG 115 N 0.21 0.44 0.13 1.13 2.43 -0.84 -3.34 114.38 114.53 1up6 h ARG 115 Ca 0.06 -0.36 -0.28 0.00 -0.81 0.00 0.00 59.98 58.59 1up6 h ARG 115 Cb 0.02 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1up6 h ARG 115 CO -0.01 1.00 -1.24 0.00 -1.51 0.00 0.00 179.97 178.21 1up6 h ALA 116 N 0.90 0.09 -0.42 2.80 0.00 0.02 -3.39 119.26 119.25 1up6 h ALA 116 Ca -0.03 -0.88 0.08 0.00 0.00 0.00 0.00 54.91 54.08 1up6 h ALA 116 Cb 1.33 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1up6 h ALA 116 CO 0.13 0.96 -0.08 0.74 0.00 0.00 0.00 179.25 180.99 1up6 h PHE 117 N 0.08 -0.18 -0.98 0.00 0.04 -1.37 -0.51 116.94 114.03 1up6 h PHE 117 Ca -0.14 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.73 1up6 h PHE 117 Cb 1.97 0.15 -0.06 0.00 2.20 0.00 0.00 35.95 40.20 1up6 h PHE 117 CO 0.07 -0.16 0.63 -1.00 -0.60 0.00 0.00 178.31 177.24 1up6 h PRO 118 N 0.02 1.13 -0.04 1.51 0.13 -1.78 -0.48 132.00 132.50 1up6 h PRO 118 Ca 0.21 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1up6 h PRO 118 Cb 0.31 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1up6 h PRO 118 CO -0.42 0.75 -0.20 0.82 -0.23 0.00 0.00 178.00 178.72 1up6 h ILE 119 N 1.16 1.47 -0.50 -3.56 2.04 -1.58 -2.56 117.51 113.99 1up6 h ILE 119 Ca 0.41 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1up6 h ILE 119 Cb 0.12 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1up6 h ILE 119 CO -0.16 0.47 0.02 -0.37 0.00 0.00 0.00 178.15 178.10 1up6 h VAL 120 N -0.36 1.24 -0.28 1.67 -1.51 -1.00 -0.85 116.25 115.17 1up6 h VAL 120 Ca -0.01 -1.00 0.05 0.00 -1.23 0.00 0.00 66.70 64.51 1up6 h VAL 120 Cb 0.86 0.84 -0.05 0.00 -2.13 0.00 0.00 31.29 30.82 1up6 h VAL 120 CO 0.04 0.36 -0.04 -0.08 -1.23 0.00 0.00 177.57 176.62 1up6 h GLU 121 N 0.78 0.03 -0.82 5.19 4.81 -1.12 0.32 114.58 123.76 1up6 h GLU 121 Ca 0.15 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1up6 h GLU 121 Cb 0.44 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1up6 h GLU 121 CO 0.02 0.02 0.45 1.49 -0.73 0.00 0.00 179.01 180.26 1up6 h GLU 122 N 0.03 1.15 -0.12 1.92 4.81 -1.15 -2.38 114.58 118.85 1up6 h GLU 122 Ca 0.13 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1up6 h GLU 122 Cb 0.19 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1up6 h GLU 122 CO -0.26 0.84 -0.25 1.88 -0.73 0.00 0.00 179.01 180.49 1up6 h TYR 123 N 1.14 0.48 -0.86 0.92 0.05 -0.48 -2.51 116.97 115.70 1up6 h TYR 123 Ca 0.29 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.91 1up6 h TYR 123 Cb 0.03 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 1up6 h TYR 123 CO 0.00 0.86 0.57 0.28 -1.05 0.00 0.00 178.16 178.82 1up6 h VAL 124 N -0.05 1.19 -0.36 -2.88 2.07 -0.42 -1.49 116.25 114.30 1up6 h VAL 124 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1up6 h VAL 124 Cb 0.84 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1up6 h VAL 124 CO 0.05 0.21 0.24 -0.78 0.02 0.00 0.00 177.57 177.31 1up6 h ASP 125 N 1.13 0.42 -0.54 0.57 3.58 -1.37 -0.09 116.42 120.12 1up6 h ASP 125 Ca 0.33 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 1up6 h ASP 125 Cb -0.08 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1up6 h ASP 125 CO -0.09 0.30 0.20 0.74 -2.88 0.00 0.00 179.24 177.52 1up6 h THR 126 N 0.49 1.22 -0.27 2.25 2.02 -1.07 -1.59 112.91 115.96 1up6 h THR 126 Ca 0.13 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1up6 h THR 126 Cb -0.06 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1up6 h THR 126 CO -0.03 0.27 0.14 0.58 0.37 0.00 0.00 175.52 176.85 1up6 h VAL 127 N 0.73 1.14 -0.66 3.16 2.07 -0.97 -2.20 116.25 119.53 1up6 h VAL 127 Ca 0.18 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1up6 h VAL 127 Cb 0.22 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1up6 h VAL 127 CO -0.01 0.14 0.39 0.08 0.02 0.00 0.00 177.57 178.18 1up6 h ARG 128 N 0.32 0.89 -0.23 1.57 0.11 -0.86 -1.32 114.38 114.85 1up6 h ARG 128 Ca 0.09 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1up6 h ARG 128 Cb 0.10 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 30.99 1up6 h ARG 128 CO -0.01 0.63 0.00 0.36 0.10 0.00 0.00 179.97 181.05 1up6 n LYS 129 N -4.40 1.82 0.00 0.08 2.85 -0.61 -4.51 118.16 113.39 1up6 n LYS 129 Ca 0.06 -1.24 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 1up6 n LYS 129 Cb 0.08 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1up6 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1up6 n THR 130 N 0.47 0.00 0.11 0.58 -2.24 -0.60 -5.00 114.28 107.59 1up6 n THR 130 Ca 0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 1up6 n THR 130 Cb 0.35 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.25 0.47 -3.84 3.42 3.41 -0.75 -4.92 113.62 111.17 1up6 n SER 131 Ca 0.00 0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.45 1up6 n SER 131 Cb 0.00 1.13 0.04 0.00 -0.26 0.00 0.00 64.21 65.12 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 -2.43 -5.11 -4.75 4.04 3.02 -0.60 -4.94 115.26 104.49 1up6 n ASN 132 Ca -0.01 -0.73 -0.33 0.00 -0.03 0.00 0.00 54.58 53.48 1up6 n ASN 132 Cb 0.55 -4.15 0.08 0.00 -0.61 0.00 0.00 39.78 35.64 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 -3.31 2.25 -0.05 5.41 0.00 -1.26 -5.01 121.76 119.79 1up6 s ALA 133 Ca 0.64 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1up6 s ALA 133 Cb -0.31 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1up6 s ALA 133 CO 0.81 -1.66 1.38 0.99 0.00 0.00 0.00 175.76 177.27 1up6 s THR 134 N -2.39 3.88 -0.19 0.00 2.01 -0.97 -4.88 115.64 113.10 1up6 s THR 134 Ca 0.68 1.20 -0.16 0.00 0.31 0.00 0.00 61.69 63.72 1up6 s THR 134 Cb -0.22 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1up6 s THR 134 CO 0.47 -0.03 0.40 -0.63 -0.69 0.00 0.00 174.62 174.13 1up6 s ILE 135 N 2.77 5.21 -0.27 1.82 1.01 -0.45 -1.19 121.20 130.11 1up6 s ILE 135 Ca 0.62 0.72 -0.09 0.00 0.00 0.00 0.00 60.65 61.90 1up6 s ILE 135 Cb -0.29 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1up6 s ILE 135 CO 0.24 0.28 0.12 -0.69 0.00 0.00 0.00 174.94 174.89 1up6 s VAL 136 N 1.13 4.68 -0.17 2.92 1.01 0.03 -0.65 120.40 129.34 1up6 s VAL 136 Ca 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1up6 s VAL 136 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1up6 s VAL 136 CO 0.08 0.27 -0.00 0.21 0.00 0.00 0.00 175.10 175.65 1up6 s ASN 137 N 1.66 4.99 -0.04 3.32 2.47 -0.08 -1.01 114.94 126.25 1up6 s ASN 137 Ca 0.06 -0.10 0.08 0.00 0.42 0.00 0.00 52.86 53.32 1up6 s ASN 137 Cb -0.16 -1.83 -0.11 0.00 -1.45 0.00 0.00 41.25 37.70 1up6 s ASN 137 CO 0.06 0.14 0.10 0.49 -3.72 0.00 0.00 177.10 174.18 1up6 n PHE 138 N 3.73 0.00 -1.67 0.43 3.72 0.01 -0.20 117.46 123.48 1up6 n PHE 138 Ca -0.17 0.00 -0.60 0.00 -0.05 0.00 0.00 57.45 56.63 1up6 n PHE 138 Cb 0.52 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 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 -2.04 0.12 -3.20 4.37 -1.04 -1.12 -4.64 114.28 106.73 1up6 n THR 139 Ca -0.07 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.60 1up6 n THR 139 Cb 0.49 -0.76 -0.06 0.00 -1.82 0.00 0.00 70.33 68.19 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 2.35 6.69 -0.37 8.00 0.01 -1.26 -2.68 114.94 127.69 1up6 s ASN 140 Ca 0.97 1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 54.00 1up6 s ASN 140 Cb -1.21 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 38.15 1up6 s ASN 140 CO 0.66 -0.19 0.95 -2.16 -1.51 0.00 0.00 177.10 174.85 1up6 s PRO 141 N -3.04 3.86 0.16 -0.60 0.04 -1.26 -4.74 135.00 129.42 1up6 s PRO 141 Ca 0.52 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 1up6 s PRO 141 Cb -0.10 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.70 1up6 s PRO 141 CO 0.20 -0.96 1.80 1.03 0.04 0.00 0.00 177.00 179.11 1up6 h SER 142 N 8.46 0.39 -0.50 6.66 0.87 -1.77 0.10 113.55 127.76 1up6 h SER 142 Ca -0.23 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1up6 h SER 142 Cb 1.08 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1up6 h SER 142 CO 0.99 0.28 0.14 1.23 -0.53 0.00 0.00 176.83 178.94 1up6 h GLY 143 N 0.49 0.85 0.98 5.77 0.00 -1.88 -1.87 103.07 107.40 1up6 h GLY 143 Ca 0.18 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1up6 h GLY 143 CO -0.09 0.48 0.02 0.84 0.00 0.00 0.00 176.54 177.78 1up6 h HIS 144 N 0.68 0.86 -0.63 5.60 6.17 -1.85 -1.02 115.15 124.96 1up6 h HIS 144 Ca 0.16 -0.14 -0.02 0.00 0.71 0.00 0.00 60.37 61.07 1up6 h HIS 144 Cb 0.30 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 29.98 1up6 h HIS 144 CO 0.02 0.83 0.30 0.82 0.71 0.00 0.00 177.93 180.60 1up6 h ILE 145 N 0.64 1.21 -0.35 6.26 2.04 -0.70 -1.97 117.51 124.63 1up6 h ILE 145 Ca 0.13 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1up6 h ILE 145 Cb 0.48 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1up6 h ILE 145 CO 0.02 0.24 -0.28 0.74 0.00 0.00 0.00 178.15 178.88 1up6 h THR 146 N 0.88 1.28 -0.52 -0.27 2.02 -0.89 -0.25 112.91 115.15 1up6 h THR 146 Ca 0.22 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 66.02 1up6 h THR 146 Cb 0.09 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1up6 h THR 146 CO -0.03 0.46 0.31 -0.08 0.37 0.00 0.00 175.52 176.56 1up6 h GLU 147 N 0.63 0.60 0.24 6.66 4.57 -0.70 -0.18 114.58 126.41 1up6 h GLU 147 Ca 0.08 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1up6 h GLU 147 Cb 0.79 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1up6 h GLU 147 CO 0.07 0.40 -0.12 0.35 -1.18 0.00 0.00 179.01 178.53 1up6 h PHE 148 N 0.62 -0.30 -0.31 0.92 3.57 -0.97 -1.94 116.94 118.52 1up6 h PHE 148 Ca 0.21 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1up6 h PHE 148 Cb 0.02 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1up6 h PHE 148 CO -0.06 -0.18 -0.05 0.28 -2.23 0.00 0.00 178.31 176.06 1up6 h VAL 149 N -0.33 1.27 -0.18 1.41 2.07 -0.91 -1.38 116.25 118.20 1up6 h VAL 149 Ca -0.03 -1.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.27 1up6 h VAL 149 Cb 0.25 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1up6 h VAL 149 CO 0.05 0.34 -0.54 0.03 0.02 0.00 0.00 177.57 177.48 1up6 h ARG 150 N 0.36 0.53 0.00 1.57 2.47 -1.00 0.14 114.38 118.45 1up6 h ARG 150 Ca 0.08 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1up6 h ARG 150 Cb 0.52 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1up6 h ARG 150 CO 0.03 0.93 -0.80 0.09 0.56 0.00 0.00 179.97 180.78 1up6 n ASN 151 N -3.96 0.99 0.00 7.04 3.02 -0.73 -3.74 115.26 117.88 1up6 n ASN 151 Ca -0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1up6 n ASN 151 Cb 0.60 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.90 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 -1.43 0.00 0.27 3.10 4.02 -0.57 -4.64 117.16 117.90 1up6 n TYR 152 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 1up6 n TYR 152 Cb 0.21 0.01 0.15 0.00 -0.02 0.00 0.00 39.34 39.70 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 0.00 0.00 -2.52 7.72 3.38 -1.41 -3.48 115.31 119.00 1up6 h LEU 153 Ca 0.00 -0.02 -0.39 0.00 0.09 0.00 0.00 57.88 57.56 1up6 h LEU 153 Cb 0.96 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.81 1up6 h LEU 153 CO 0.00 0.01 -0.89 -0.62 0.09 0.00 0.00 178.44 177.03 1up6 n GLU 154 N -2.79 -2.76 -3.92 1.13 1.02 0.42 -4.98 120.64 108.76 1up6 n GLU 154 Ca 0.03 0.59 -0.35 0.00 -0.02 0.00 0.00 57.16 57.41 1up6 n GLU 154 Cb 0.52 -4.83 -0.14 0.00 -0.02 0.00 0.00 31.44 26.96 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 -3.54 3.16 0.16 -0.32 5.04 -0.86 -5.02 117.35 115.98 1up6 s TYR 155 Ca 0.29 -1.66 -0.10 0.00 -2.44 0.00 0.00 57.07 53.17 1up6 s TYR 155 Cb -0.08 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.15 1up6 s TYR 155 CO 0.82 -0.75 1.54 1.49 -1.34 0.00 0.00 175.55 177.31 1up6 h GLU 156 N 8.02 0.96 -2.85 4.97 4.81 -1.90 -3.34 114.58 125.25 1up6 h GLU 156 Ca -0.27 -0.44 -0.75 0.00 -0.13 0.00 0.00 59.36 57.77 1up6 h GLU 156 Cb 1.09 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.31 1up6 h GLU 156 CO 0.56 1.10 2.20 1.63 -0.73 0.00 0.00 179.01 183.76 1up6 n LYS 157 N -4.09 4.37 -3.75 1.92 5.02 -1.26 -4.80 118.16 115.57 1up6 n LYS 157 Ca -0.01 -3.57 -0.25 0.00 -2.02 0.00 0.00 58.31 52.46 1up6 n LYS 157 Cb 0.48 -2.70 -0.17 0.00 -0.02 0.00 0.00 35.03 32.63 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 -0.95 0.78 -0.19 2.13 2.19 -1.25 -1.34 117.98 119.35 1up6 s PHE 158 Ca 0.49 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 57.31 1up6 s PHE 158 Cb 0.16 -0.88 0.02 0.00 -1.31 0.00 0.00 43.02 41.00 1up6 s PHE 158 CO -0.06 -0.45 -0.17 0.42 1.83 0.00 0.00 175.22 176.79 1up6 s ILE 159 N 1.94 2.30 -0.02 3.12 1.01 0.18 -4.94 121.20 124.79 1up6 s ILE 159 Ca 0.03 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1up6 s ILE 159 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1up6 s ILE 159 CO -0.07 0.49 0.71 -0.83 0.00 0.00 0.00 174.94 175.24 1up6 s GLY 160 N 1.31 2.68 0.36 6.18 0.00 -1.17 -0.90 107.32 115.78 1up6 s GLY 160 Ca 0.04 0.17 0.08 0.00 0.00 0.00 0.00 44.72 45.02 1up6 s GLY 160 CO -0.11 1.08 0.05 1.08 0.00 0.00 0.00 173.10 175.21 1up6 s LEU 161 N 0.34 3.01 0.25 0.66 1.02 0.71 -0.49 118.68 124.18 1up6 s LEU 161 Ca 0.37 -1.05 -0.21 0.00 0.02 0.00 0.00 54.13 53.26 1up6 s LEU 161 Cb -0.19 -1.33 0.03 0.00 0.02 0.00 0.00 46.19 44.73 1up6 s LEU 161 CO 0.20 -0.33 0.68 0.00 0.02 0.00 0.00 176.35 176.92 1up6 n ASN 163 N -0.44 0.71 -0.01 0.00 5.15 -1.26 -4.53 115.26 114.88 1up6 n ASN 163 Ca -0.07 0.32 -0.15 0.00 -0.60 0.00 0.00 54.58 54.07 1up6 n ASN 163 Cb 0.61 0.34 -0.04 0.00 -0.53 0.00 0.00 39.78 40.15 1up6 n ASN 163 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1up6 h VAL 164 N 0.00 1.30 -0.22 3.44 -1.51 -1.99 -2.84 116.25 114.43 1up6 h VAL 164 Ca -0.22 -1.97 0.02 0.00 -1.23 0.00 0.00 66.70 63.31 1up6 h VAL 164 Cb 1.69 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 32.78 1up6 h VAL 164 CO 0.05 0.62 0.08 -0.65 -1.23 0.00 0.00 177.57 176.43 1up6 h PRO 165 N 0.51 0.17 -0.36 5.19 0.11 -1.96 0.24 132.00 135.91 1up6 h PRO 165 Ca -0.04 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1up6 h PRO 165 Cb 1.35 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1up6 h PRO 165 CO 0.15 0.11 0.04 0.97 -0.21 0.00 0.00 178.00 179.06 1up6 h ILE 166 N 0.18 1.24 -0.53 4.15 6.09 -1.83 -0.75 117.51 126.05 1up6 h ILE 166 Ca 0.09 -0.88 0.04 0.00 -1.37 0.00 0.00 64.86 62.74 1up6 h ILE 166 Cb 0.06 1.13 -0.04 0.00 0.47 0.00 0.00 36.82 38.44 1up6 h ILE 166 CO -0.10 0.30 0.28 0.78 -3.07 0.00 0.00 178.15 176.34 1up6 h ASN 167 N 0.43 0.42 0.59 2.19 2.35 -1.26 0.23 115.58 120.53 1up6 h ASN 167 Ca 0.11 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1up6 h ASN 167 Cb 0.39 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1up6 h ASN 167 CO 0.01 0.29 -0.36 0.15 -1.65 0.00 0.00 177.43 175.87 1up6 h PHE 168 N 0.55 -0.94 -0.74 1.19 3.57 -0.18 -1.50 116.94 118.89 1up6 h PHE 168 Ca 0.23 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.87 1up6 h PHE 168 Cb 0.11 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 39.09 1up6 h PHE 168 CO -0.09 -0.54 0.25 0.82 -2.23 0.00 0.00 178.31 176.51 1up6 h ILE 169 N -0.89 0.60 -0.64 1.41 2.04 -0.98 -0.78 117.51 118.28 1up6 h ILE 169 Ca -0.07 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1up6 h ILE 169 Cb 0.72 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1up6 h ILE 169 CO 0.07 0.07 0.38 -0.09 0.00 0.00 0.00 178.15 178.58 1up6 h ARG 170 N 0.37 0.71 -0.21 2.37 2.43 -0.32 0.17 114.38 119.90 1up6 h ARG 170 Ca 0.41 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 1up6 h ARG 170 Cb 0.65 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1up6 h ARG 170 CO -0.44 0.47 0.06 0.93 -1.51 0.00 0.00 179.97 179.48 1up6 h GLU 171 N 0.74 0.14 -0.17 0.20 5.08 -0.13 -2.23 114.58 118.22 1up6 h GLU 171 Ca 0.27 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1up6 h GLU 171 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1up6 h GLU 171 CO -0.13 0.09 0.09 0.82 -1.00 0.00 0.00 179.01 178.89 1up6 h ILE 172 N 0.15 1.10 -1.00 3.13 1.08 -0.74 -2.52 117.51 118.70 1up6 h ILE 172 Ca 0.09 -0.27 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1up6 h ILE 172 Cb 0.07 0.98 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 1up6 h ILE 172 CO -0.11 0.09 0.65 0.00 -0.69 0.00 0.00 178.15 178.09 1up6 h ALA 173 N 0.99 1.42 0.00 1.87 0.00 -0.63 -2.03 119.26 120.87 1up6 h ALA 173 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1up6 h ALA 173 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1up6 h ALA 173 CO -0.01 0.42 0.00 0.39 0.00 0.00 0.00 179.25 180.05 1up6 n GLU 174 N -4.51 0.52 0.00 0.00 1.02 -0.84 0.18 120.64 117.00 1up6 n GLU 174 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1up6 n GLU 174 Cb 0.20 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1up6 n GLU 174 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1up6 n PHE 176 N 1.23 0.00 -3.21 -0.32 3.72 -0.76 -4.81 117.46 113.30 1up6 n PHE 176 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1up6 n PHE 176 Cb 0.26 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.83 1up6 n PHE 176 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1up6 n SER 177 N 0.00 -7.07 -4.16 4.37 3.41 0.13 -5.04 113.62 105.25 1up6 n SER 177 Ca 0.00 -0.43 -0.12 0.00 -0.26 0.00 0.00 58.87 58.06 1up6 n SER 177 Cb 0.00 -5.02 -0.10 0.00 -0.26 0.00 0.00 64.21 58.84 1up6 n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1up6 s ALA 178 N -3.19 1.11 0.62 7.33 0.00 -0.23 -5.13 121.76 122.28 1up6 s ALA 178 Ca 0.22 -1.67 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 1up6 s ALA 178 Cb -0.04 1.38 -0.03 0.00 0.00 0.00 0.00 23.12 24.43 1up6 s ALA 178 CO 0.76 -0.61 1.02 1.03 0.00 0.00 0.00 175.76 177.96 1up6 s ARG 179 N -4.13 3.40 0.34 0.00 0.52 -1.26 -4.58 118.95 113.24 1up6 s ARG 179 Ca 0.38 0.60 0.09 0.00 -0.52 0.00 0.00 55.73 56.28 1up6 s ARG 179 Cb 0.06 -2.10 0.81 0.00 0.52 0.00 0.00 34.95 34.24 1up6 s ARG 179 CO 0.12 -0.64 1.83 -0.07 0.02 0.00 0.00 175.30 176.56 1up6 h LEU 180 N -0.33 0.69 -0.10 2.53 4.07 -1.95 -2.11 115.31 118.11 1up6 h LEU 180 Ca -0.45 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1up6 h LEU 180 Cb 1.21 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1up6 h LEU 180 CO 0.62 0.30 -0.35 -1.84 -1.08 0.00 0.00 178.44 176.10 1up6 n GLU 181 N -4.63 0.19 0.09 1.13 0.28 -1.26 -3.01 120.64 113.43 1up6 n GLU 181 Ca 0.20 -0.10 0.11 0.00 -0.16 0.00 0.00 57.16 57.21 1up6 n GLU 181 Cb 0.54 -1.50 0.44 0.00 1.43 0.00 0.00 31.44 32.35 1up6 n GLU 181 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1up6 n ASP 182 N -1.32 0.47 -4.65 -1.84 8.00 -0.79 -4.74 116.55 111.68 1up6 n ASP 182 Ca 0.08 0.61 -0.37 0.00 0.71 0.00 0.00 54.79 55.81 1up6 n ASP 182 Cb 0.33 -0.71 -0.09 0.00 -0.02 0.00 0.00 41.12 40.63 1up6 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1up6 s VAL 183 N -3.21 5.28 -0.06 2.53 1.01 -1.16 -0.55 120.40 124.23 1up6 s VAL 183 Ca 0.05 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1up6 s VAL 183 Cb 0.10 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1up6 s VAL 183 CO 0.37 0.29 -0.17 0.12 0.00 0.00 0.00 175.10 175.70 1up6 s PHE 184 N 1.30 1.84 0.01 5.22 5.36 0.16 -4.99 117.98 126.87 1up6 s PHE 184 Ca 0.12 -0.62 0.08 0.00 -0.96 0.00 0.00 56.93 55.55 1up6 s PHE 184 Cb -0.14 -1.26 -0.02 0.00 -0.34 0.00 0.00 43.02 41.25 1up6 s PHE 184 CO 0.07 -0.25 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.81 1up6 s LEU 185 N 0.27 2.14 -0.47 6.12 1.02 -1.26 -0.02 118.68 126.48 1up6 s LEU 185 Ca -0.10 -0.51 -0.22 0.00 0.02 0.00 0.00 54.13 53.32 1up6 s LEU 185 Cb -0.14 -1.33 0.03 0.00 0.02 0.00 0.00 46.19 44.77 1up6 s LEU 185 CO 0.04 0.29 0.73 -0.75 0.02 0.00 0.00 176.35 176.68 1up6 s LYS 186 N -0.91 3.28 -0.04 1.70 2.20 -0.01 -4.92 119.74 121.05 1up6 s LYS 186 Ca 0.11 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1up6 s LYS 186 Cb -0.10 -4.00 0.02 0.00 -1.51 0.00 0.00 37.83 32.25 1up6 s LYS 186 CO 0.01 -1.16 -0.03 -0.47 -0.36 0.00 0.00 175.35 173.33 1up6 s TYR 187 N 3.09 0.59 0.03 4.03 6.14 -1.26 -1.42 117.35 128.56 1up6 s TYR 187 Ca 0.24 -0.13 -0.27 0.00 0.64 0.00 0.00 57.07 57.55 1up6 s TYR 187 Cb -0.14 -0.56 0.08 0.00 0.42 0.00 0.00 41.96 41.76 1up6 s TYR 187 CO 0.18 -0.16 0.73 1.52 0.64 0.00 0.00 175.55 178.46 1up6 s TYR 188 N 0.89 -0.51 -5.00 4.97 1.13 -0.80 -4.34 117.35 113.69 1up6 s TYR 188 Ca -0.11 0.55 0.00 0.00 -1.41 0.00 0.00 57.07 56.10 1up6 s TYR 188 Cb -0.14 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1up6 s TYR 188 CO -0.00 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 172.78 1up6 n GLY 189 N 0.12 0.48 3.94 5.49 0.00 -1.22 -0.99 105.19 113.00 1up6 n GLY 189 Ca -0.15 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 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 3.43 0.11 0.99 1.02 0.31 -0.88 118.68 123.66 1up6 s LEU 190 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 54.13 53.18 1up6 s LEU 190 Cb 0.00 -2.20 -0.10 0.00 0.02 0.00 0.00 46.19 43.92 1up6 s LEU 190 CO 0.00 -0.76 1.72 0.21 0.02 0.00 0.00 176.35 177.54 1up6 s ASN 191 N -4.25 6.51 -1.84 2.29 3.04 -1.26 -0.83 114.94 118.61 1up6 s ASN 191 Ca 0.51 2.64 0.00 0.00 0.04 0.00 0.00 52.86 56.05 1up6 s ASN 191 Cb -0.06 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 37.08 1up6 s ASN 191 CO 0.30 -0.93 0.00 1.41 -3.04 0.00 0.00 177.10 174.84 1up6 n HIS 192 N 5.33 -0.03 -2.83 0.43 8.25 -1.26 -4.85 115.22 120.26 1up6 n HIS 192 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 1up6 n HIS 192 Cb 0.39 -3.00 0.05 0.00 1.12 0.00 0.00 29.99 28.55 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 -2.00 -0.49 -4.51 2.41 -0.00 -0.01 -4.58 117.00 107.83 1up6 n LEU 193 Ca -0.18 -4.01 -0.25 0.00 -0.00 0.00 0.00 56.01 51.57 1up6 n LEU 193 Cb 0.57 0.55 -0.10 0.00 -0.00 0.00 0.00 43.42 44.44 1up6 n LEU 193 CO 0.26 1.97 -0.43 -0.94 -0.00 0.00 0.00 177.39 178.26 1up6 s SER 194 N -2.01 3.67 0.00 1.96 1.04 -1.20 -0.53 113.70 116.63 1up6 s SER 194 Ca 0.28 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1up6 s SER 194 Cb 0.37 -0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 1up6 s SER 194 CO -0.05 -0.09 -0.01 -0.36 0.98 0.00 0.00 173.24 173.72 1up6 s PHE 195 N -2.56 0.11 -0.14 5.02 0.40 -0.16 -1.72 117.98 118.93 1up6 s PHE 195 Ca 0.31 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1up6 s PHE 195 Cb -0.01 -0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 1up6 s PHE 195 CO 0.16 -0.01 -0.16 0.42 0.70 0.00 0.00 175.22 176.32 1up6 s ILE 196 N -0.11 2.68 -0.18 0.64 1.01 0.23 -1.90 121.20 123.57 1up6 s ILE 196 Ca -0.00 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 59.96 1up6 s ILE 196 Cb -0.01 -2.11 -0.18 0.00 0.01 0.00 0.00 42.46 40.17 1up6 s ILE 196 CO -0.00 0.53 -0.03 1.21 0.00 0.00 0.00 174.94 176.64 1up6 n GLU 197 N 3.76 1.03 -3.83 2.79 2.13 -0.51 0.02 120.64 126.05 1up6 n GLU 197 Ca -0.19 0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.55 1up6 n GLU 197 Cb 0.52 -1.42 -0.13 0.00 0.27 0.00 0.00 31.44 30.68 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 -2.40 0.11 -0.11 5.31 -0.14 -1.23 -4.95 119.74 116.33 1up6 s LYS 198 Ca -0.16 0.16 0.03 0.00 -1.36 0.00 0.00 55.97 54.64 1up6 s LYS 198 Cb 0.06 0.03 0.01 0.00 -1.68 0.00 0.00 37.83 36.24 1up6 s LYS 198 CO 0.60 -0.03 -0.19 0.08 -0.76 0.00 0.00 175.35 175.04 1up6 s VAL 199 N 0.18 1.77 -0.06 3.17 1.01 -1.26 -0.83 120.40 124.38 1up6 s VAL 199 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1up6 s VAL 199 Cb -0.02 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1up6 s VAL 199 CO -0.01 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 174.98 1up6 s PHE 200 N 0.68 2.42 -0.15 5.22 0.40 0.98 -1.42 117.98 126.11 1up6 s PHE 200 Ca -0.12 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1up6 s PHE 200 Cb -0.16 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1up6 s PHE 200 CO 0.03 -0.22 -0.17 0.08 0.70 0.00 0.00 175.22 175.64 1up6 s VAL 201 N -0.15 1.76 -1.39 -0.44 1.01 0.11 -0.67 120.40 120.63 1up6 s VAL 201 Ca -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1up6 s VAL 201 Cb -0.14 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.72 1up6 s VAL 201 CO 0.04 0.49 0.60 0.29 0.00 0.00 0.00 175.10 176.52 1up6 n LYS 202 N 4.62 -3.52 0.00 2.72 5.02 0.29 -1.69 118.16 125.60 1up6 n LYS 202 Ca -0.19 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1up6 n LYS 202 Cb 0.50 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 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 -1.26 3.16 3.72 0.72 0.00 -1.26 -5.04 105.19 105.23 1up6 n GLY 203 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.49 4.59 -0.40 1.61 2.12 -0.68 -5.00 118.70 120.45 1up6 s GLU 204 Ca 0.00 1.49 -0.28 0.00 0.36 0.00 0.00 54.97 56.53 1up6 s GLU 204 Cb 0.00 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.98 1up6 s GLU 204 CO 0.00 0.02 1.57 0.34 -0.54 0.00 0.00 175.26 176.64 1up6 s ASP 205 N 0.62 6.12 -0.12 -1.70 -1.08 -1.26 -0.71 116.67 118.54 1up6 s ASP 205 Ca 0.51 0.94 0.16 0.00 -0.52 0.00 0.00 52.55 53.64 1up6 s ASP 205 Cb -0.23 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.02 1up6 s ASP 205 CO 0.29 -1.59 1.22 1.33 0.52 0.00 0.00 175.17 176.94 1up6 n VAL 206 N 7.19 1.87 -0.07 1.11 0.24 -0.51 -4.77 118.33 123.41 1up6 n VAL 206 Ca 0.19 -1.97 -0.07 0.00 -2.04 0.00 0.00 64.34 60.44 1up6 n VAL 206 Cb 0.48 -0.14 -0.01 0.00 -1.47 0.00 0.00 33.84 32.70 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 0.60 0.56 -0.34 3.34 2.02 -1.87 -0.26 112.91 116.97 1up6 h THR 207 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1up6 h THR 207 Cb 1.06 0.56 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 1up6 h THR 207 CO 0.06 0.00 -0.25 -0.08 0.37 0.00 0.00 175.52 175.63 1up6 h GLU 208 N -0.11 -0.20 -0.10 6.66 4.57 -1.92 -1.35 114.58 122.13 1up6 h GLU 208 Ca 0.15 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1up6 h GLU 208 Cb 0.33 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1up6 h GLU 208 CO -0.35 -0.13 0.00 0.87 -1.18 0.00 0.00 179.01 178.22 1up6 h LYS 209 N -0.21 0.13 -0.29 1.92 1.79 -1.76 -1.42 116.57 116.74 1up6 h LYS 209 Ca 0.17 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.48 1up6 h LYS 209 Cb 0.47 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1up6 h LYS 209 CO -0.46 0.15 -0.42 0.28 -1.08 0.00 0.00 179.45 177.92 1up6 h VAL 210 N 0.14 1.29 0.31 0.50 2.07 -0.16 -2.34 116.25 118.05 1up6 h VAL 210 Ca 0.03 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1up6 h VAL 210 Cb 0.09 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1up6 h VAL 210 CO 0.00 0.51 -0.15 -0.26 0.02 0.00 0.00 177.57 177.70 1up6 h PHE 211 N 0.58 -0.38 -0.96 1.57 0.04 -0.52 -1.90 116.94 115.36 1up6 h PHE 211 Ca 0.04 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.95 1up6 h PHE 211 Cb 0.96 0.13 -0.08 0.00 2.20 0.00 0.00 35.95 39.16 1up6 h PHE 211 CO 0.05 -0.16 0.61 0.93 -0.60 0.00 0.00 178.31 179.14 1up6 h GLU 212 N -0.54 0.81 -0.01 1.51 5.08 -1.30 -2.16 114.58 117.97 1up6 h GLU 212 Ca -0.04 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.07 1up6 h GLU 212 Cb 0.40 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1up6 h GLU 212 CO 0.07 0.54 -0.86 -0.91 -1.00 0.00 0.00 179.01 176.84 1up6 h ASN 213 N 0.84 0.34 -0.05 1.42 2.35 -1.30 -2.85 115.58 116.33 1up6 h ASN 213 Ca 0.49 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1up6 h ASN 213 Cb 0.65 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1up6 h ASN 213 CO -0.26 1.05 0.04 -0.07 -1.65 0.00 0.00 177.43 176.54 1up6 h LEU 214 N 0.16 0.00 -0.55 1.61 4.07 -0.70 -2.19 115.31 117.71 1up6 h LEU 214 Ca -0.05 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.77 1up6 h LEU 214 Cb 1.48 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 1up6 h LEU 214 CO 0.14 0.00 -0.40 0.11 -1.08 0.00 0.00 178.44 177.21 1up6 h LYS 215 N 0.00 0.73 -4.46 1.13 1.57 -1.25 -3.50 116.57 110.80 1up6 h LYS 215 Ca 0.02 -0.38 -0.70 0.00 -1.87 0.00 0.00 60.65 57.72 1up6 h LYS 215 Cb 0.10 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1up6 h LYS 215 CO -0.00 1.00 2.89 1.28 -0.57 0.00 0.00 179.45 184.05 1up6 n LEU 216 N -4.04 6.38 0.11 2.94 4.32 -0.83 -5.02 117.00 120.87 1up6 n LEU 216 Ca -0.02 -4.09 0.00 0.00 -0.02 0.00 0.00 56.01 51.88 1up6 n LEU 216 Cb 0.53 -1.68 0.00 0.00 -1.62 0.00 0.00 43.42 40.65 1up6 n LEU 216 CO 0.47 0.87 0.00 -2.65 -1.22 0.00 0.00 177.39 174.86 1up6 n PRO 222 N 6.64 0.00 0.00 3.23 -0.02 -1.26 -5.11 135.00 138.47 1up6 n PRO 222 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1up6 n PRO 222 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 1up6 n PRO 222 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1up6 n ASP 223 N -3.02 0.00 -1.25 2.55 8.00 -1.26 -0.79 116.55 120.78 1up6 n ASP 223 Ca 0.00 0.05 0.06 0.00 0.71 0.00 0.00 54.79 55.61 1up6 n ASP 223 Cb 0.00 -0.05 0.29 0.00 -0.02 0.00 0.00 41.12 41.34 1up6 n ASP 223 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1up6 n GLU 224 N -1.05 3.37 -4.44 -1.24 1.02 -1.26 -4.98 120.64 112.07 1up6 n GLU 224 Ca 0.00 -2.97 -0.21 0.00 -0.02 0.00 0.00 57.16 53.96 1up6 n GLU 224 Cb 0.00 -1.98 -0.10 0.00 -0.02 0.00 0.00 31.44 29.34 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 -1.63 2.26 0.25 1.62 1.01 0.03 -5.10 116.67 115.11 1up6 s ASP 225 Ca 0.47 -1.42 -0.30 0.00 0.71 0.00 0.00 52.55 52.00 1up6 s ASP 225 Cb 0.37 0.05 -0.10 0.00 1.01 0.00 0.00 42.92 44.25 1up6 s ASP 225 CO 0.10 -0.68 1.40 -0.36 0.21 0.00 0.00 175.17 175.85 1up6 s PHE 226 N -3.35 3.07 0.93 4.23 0.08 -1.26 -4.99 117.98 116.68 1up6 s PHE 226 Ca 0.35 1.10 -0.13 0.00 0.12 0.00 0.00 56.93 58.37 1up6 s PHE 226 Cb 0.08 -3.77 0.15 0.00 -0.57 0.00 0.00 43.02 38.91 1up6 s PHE 226 CO 0.15 -2.44 1.15 -1.25 -0.10 0.00 0.00 175.22 172.73 1up6 s PRO 227 N -0.46 0.97 0.15 0.24 0.04 -1.26 -4.97 135.00 129.71 1up6 s PRO 227 Ca 0.58 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 1up6 s PRO 227 Cb -0.41 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1up6 s PRO 227 CO 0.43 -2.29 1.74 1.15 0.04 0.00 0.00 177.00 178.07 1up6 h THR 228 N -1.57 1.18 -0.73 1.26 2.02 -1.95 -2.79 112.91 110.33 1up6 h THR 228 Ca -0.49 -0.48 0.14 0.00 0.77 0.00 0.00 66.41 66.35 1up6 h THR 228 Cb 1.32 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 1up6 h THR 228 CO 0.58 0.19 0.48 4.11 0.37 0.00 0.00 175.52 181.26 1up6 h TRP 229 N 0.60 0.49 -0.83 3.16 5.08 -1.99 -1.62 115.95 120.84 1up6 h TRP 229 Ca 0.16 0.01 0.03 0.00 1.08 0.00 0.00 58.89 60.17 1up6 h TRP 229 Cb 0.09 -0.16 -0.05 0.00 -3.00 0.00 0.00 29.16 26.04 1up6 h TRP 229 CO -0.01 0.20 0.54 0.35 -1.28 0.00 0.00 178.44 178.23 1up6 h PHE 230 N 0.43 1.01 -0.06 0.12 3.04 -1.87 0.41 116.94 120.03 1up6 h PHE 230 Ca 0.35 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 62.16 1up6 h PHE 230 Cb 0.76 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1up6 h PHE 230 CO -0.00 0.59 -0.68 1.88 -2.02 0.00 0.00 178.31 178.07 1up6 h TYR 231 N 1.05 0.34 -0.60 0.41 0.05 -1.40 -0.81 116.97 116.02 1up6 h TYR 231 Ca 0.33 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.89 1up6 h TYR 231 Cb -0.01 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1up6 h TYR 231 CO -0.02 0.86 0.10 -0.44 -1.05 0.00 0.00 178.16 177.60 1up6 h ASP 232 N 0.18 0.91 0.23 3.88 3.32 -0.95 -1.27 116.42 122.73 1up6 h ASP 232 Ca -0.02 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1up6 h ASP 232 Cb 1.23 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1up6 h ASP 232 CO 0.11 0.92 -0.11 0.28 -1.72 0.00 0.00 179.24 178.71 1up6 h SER 233 N 0.91 -0.27 0.57 6.45 0.02 -0.05 -3.38 113.55 117.80 1up6 h SER 233 Ca 0.18 -0.18 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1up6 h SER 233 Cb 0.40 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1up6 h SER 233 CO 0.01 0.24 -1.37 0.58 -1.14 0.00 0.00 176.83 175.15 1up6 h VAL 234 N -1.00 1.34 -5.76 2.27 2.07 -1.26 -3.48 116.25 110.43 1up6 h VAL 234 Ca -0.03 -2.96 -0.42 0.00 0.82 0.00 0.00 66.70 64.11 1up6 h VAL 234 Cb 0.43 2.84 0.06 0.00 -1.52 0.00 0.00 31.29 33.10 1up6 h VAL 234 CO 0.05 0.85 -0.69 0.54 0.02 0.00 0.00 177.57 178.35 1up6 n ARG 235 N -3.47 -6.50 -4.14 1.57 1.74 -0.48 -4.99 116.66 100.38 1up6 n ARG 235 Ca -0.12 0.75 -0.15 0.00 -0.77 0.00 0.00 57.85 57.56 1up6 n ARG 235 Cb 1.03 -5.71 -0.13 0.00 -1.02 0.00 0.00 32.46 26.63 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 -7.17 2.13 -0.15 0.55 1.43 -1.26 -4.87 118.68 109.35 1up6 s LEU 236 Ca 0.56 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1up6 s LEU 236 Cb -0.26 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1up6 s LEU 236 CO 0.69 -0.05 0.58 -0.63 0.23 0.00 0.00 176.35 177.17 1up6 s ILE 237 N -0.75 5.09 0.02 -0.59 1.01 0.10 -4.88 121.20 121.20 1up6 s ILE 237 Ca -0.03 1.14 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1up6 s ILE 237 Cb -0.06 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1up6 s ILE 237 CO 0.00 0.21 -0.18 -0.69 0.00 0.00 0.00 174.94 174.29 1up6 s VAL 238 N 1.26 2.79 0.34 2.92 1.01 -1.26 0.76 120.40 128.21 1up6 s VAL 238 Ca 0.29 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1up6 s VAL 238 Cb -0.16 -2.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 1up6 s VAL 238 CO 0.12 0.41 1.44 0.21 0.00 0.00 0.00 175.10 177.28 1up6 s ASN 239 N -1.22 6.51 0.59 3.32 3.84 -0.70 -4.90 114.94 122.38 1up6 s ASN 239 Ca 0.14 2.89 0.31 0.00 0.21 0.00 0.00 52.86 56.41 1up6 s ASN 239 Cb -0.10 -2.65 1.82 0.00 -0.55 0.00 0.00 41.25 39.76 1up6 s ASN 239 CO 0.04 -0.76 2.23 -0.65 -2.79 0.00 0.00 177.10 175.17 1up6 h PRO 240 N 3.58 0.00 0.00 0.43 0.11 -1.93 -1.32 132.00 132.88 1up6 h PRO 240 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.68 0.03 -0.01 1.88 -0.21 0.00 0.00 178.00 180.36 1up6 h TYR 241 N 0.00 0.00 0.00 0.65 0.05 -1.91 -2.69 116.97 113.08 1up6 h TYR 241 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1up6 h TYR 241 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1up6 h TYR 241 CO 0.00 0.01 0.00 -0.07 -1.05 0.00 0.00 178.16 177.05 1up6 h LEU 242 N 0.00 0.00 -1.56 3.88 -0.00 -1.48 -2.35 115.31 113.81 1up6 h LEU 242 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1up6 h LEU 242 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1up6 h LEU 242 CO 0.00 0.00 0.31 0.03 -0.00 0.00 0.00 178.44 178.78 1up6 h ARG 243 N 0.00 0.59 0.00 1.13 3.08 -1.69 0.44 114.38 117.94 1up6 h ARG 243 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1up6 h ARG 243 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1up6 h ARG 243 CO 0.00 0.39 -0.05 1.88 -1.07 0.00 0.00 179.97 181.12 1up6 h TYR 244 N 0.61 0.00 0.00 3.04 0.05 -1.66 -2.92 116.97 116.09 1up6 h TYR 244 Ca 0.17 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.77 1up6 h TYR 244 Cb -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1up6 h TYR 244 CO -0.00 0.05 -1.13 0.66 -1.05 0.00 0.00 178.16 176.69 1up6 n TYR 245 N -3.77 0.97 0.36 4.88 4.02 -0.18 -3.62 117.16 119.82 1up6 n TYR 245 Ca -0.02 0.42 -0.02 0.00 -0.01 0.00 0.00 57.90 58.27 1up6 n TYR 245 Cb 0.15 -1.02 0.10 0.00 -0.02 0.00 0.00 39.34 38.54 1up6 n TYR 245 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1up6 n LEU 246 N -4.47 3.20 0.00 7.72 4.32 0.14 -4.97 117.00 122.95 1up6 n LEU 246 Ca -0.27 -1.64 0.00 0.00 -0.02 0.00 0.00 56.01 54.08 1up6 n LEU 246 Cb 0.59 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1up6 n LEU 246 CO 0.16 0.50 0.00 1.21 -1.22 0.00 0.00 177.39 178.04 1up6 n GLU 248 N 0.11 0.00 -0.25 3.23 2.13 -1.16 -5.03 120.64 119.66 1up6 n GLU 248 Ca 0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.94 1up6 n GLU 248 Cb 0.68 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.50 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 0.77 -1.07 5.31 1.57 -1.91 0.52 116.57 121.76 1up6 h LYS 249 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1up6 h LYS 249 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1up6 h LYS 249 CO 0.00 0.51 0.00 1.17 -0.57 0.00 0.00 179.45 180.56 1up6 n LYS 250 N -4.72 0.51 0.00 3.15 3.00 -1.26 -2.07 118.16 116.78 1up6 n LYS 250 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1up6 n LYS 250 Cb 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 33.93 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 0.53 0.00 -0.11 5.64 7.35 0.17 -2.27 117.46 128.78 1up6 n PHE 252 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1up6 n PHE 252 Cb 0.20 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.15 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 0.80 -0.09 -4.13 1.63 -1.66 -1.68 116.57 111.45 1up6 h LYS 253 Ca 0.00 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 1up6 h LYS 253 Cb 0.00 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1up6 h LYS 253 CO 0.00 0.88 0.00 -0.22 -3.45 0.00 0.00 179.45 176.66 1up6 h LYS 254 N 0.73 0.16 0.00 1.90 3.64 -1.73 -3.10 116.57 118.16 1up6 h LYS 254 Ca 0.12 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1up6 h LYS 254 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1up6 h LYS 254 CO 0.04 0.41 -0.29 0.82 -2.27 0.00 0.00 179.45 178.16 1up6 h ILE 255 N -0.10 0.78 -0.09 2.00 2.04 -1.82 -3.11 117.51 117.21 1up6 h ILE 255 Ca 0.03 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1up6 h ILE 255 Cb 0.33 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1up6 h ILE 255 CO 0.00 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 176.90 1up6 n SER 256 N -3.58 1.93 -0.08 1.72 3.41 -0.64 -3.92 113.62 112.46 1up6 n SER 256 Ca -0.01 -1.67 0.06 0.00 -0.26 0.00 0.00 58.87 56.99 1up6 n SER 256 Cb 0.43 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.50 1.40 -4.08 6.66 -2.24 -1.17 -5.04 114.28 110.31 1up6 n THR 257 Ca 0.17 -1.62 -0.07 0.00 -2.27 0.00 0.00 64.05 60.26 1up6 n THR 257 Cb 0.41 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.97 0.50 0.49 4.78 4.02 -1.25 -5.09 115.29 116.76 1up6 s HIS 258 Ca 0.19 -1.04 -0.21 0.00 1.02 0.00 0.00 55.06 55.01 1up6 s HIS 258 Cb 0.16 -0.37 -0.09 0.00 -1.02 0.00 0.00 32.58 31.26 1up6 s HIS 258 CO 0.02 -0.38 0.85 -0.85 1.02 0.00 0.00 174.74 175.39 1up6 n GLU 259 N 0.14 0.98 -2.18 1.40 0.28 -1.26 -4.94 120.64 115.06 1up6 n GLU 259 Ca -0.14 0.36 -0.41 0.00 -0.16 0.00 0.00 57.16 56.81 1up6 n GLU 259 Cb 0.61 -1.94 -0.02 0.00 1.43 0.00 0.00 31.44 31.52 1up6 n GLU 259 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1up6 s LEU 260 N -0.36 4.45 0.21 -1.84 1.43 -1.26 -4.93 118.68 116.38 1up6 s LEU 260 Ca 0.67 2.61 -0.10 0.00 -1.03 0.00 0.00 54.13 56.28 1up6 s LEU 260 Cb -0.51 -3.64 0.31 0.00 0.03 0.00 0.00 46.19 42.38 1up6 s LEU 260 CO 0.54 -0.47 1.68 -0.09 0.23 0.00 0.00 176.35 178.24 1up6 h ARG 261 N 3.59 0.18 -1.06 1.70 9.65 -1.95 0.08 114.38 126.57 1up6 h ARG 261 Ca -0.48 -0.01 0.31 0.00 -1.10 0.00 0.00 59.98 58.70 1up6 h ARG 261 Cb 1.22 -0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.63 1up6 h ARG 261 CO 0.67 0.12 0.64 0.00 2.80 0.00 0.00 179.97 184.19 1up6 h ALA 262 N 1.53 2.10 -0.52 2.80 0.00 -1.91 -0.16 119.26 123.11 1up6 h ALA 262 Ca 0.33 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 1up6 h ALA 262 Cb 0.52 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1up6 h ALA 262 CO -0.48 -0.64 0.07 0.00 0.00 0.00 0.00 179.25 178.20 1up6 h ARG 263 N 0.35 0.86 -0.04 0.00 2.47 -1.34 -2.99 114.38 113.70 1up6 h ARG 263 Ca 0.70 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 1up6 h ARG 263 Cb 1.68 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.91 1up6 h ARG 263 CO -0.49 0.86 0.02 0.93 0.56 0.00 0.00 179.97 181.85 1up6 h GLU 264 N 0.74 0.05 -1.36 0.04 5.08 -1.01 -2.42 114.58 115.70 1up6 h GLU 264 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1up6 h GLU 264 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1up6 h GLU 264 CO 0.01 0.04 0.00 0.28 -1.00 0.00 0.00 179.01 178.34 1up6 n VAL 265 N -5.06 0.00 0.00 3.13 0.31 -0.51 -1.23 118.33 114.97 1up6 n VAL 265 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1up6 n VAL 265 Cb 0.03 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.79 0.00 0.02 5.55 5.02 -0.91 -0.21 118.16 128.43 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 1.09 -0.44 -0.18 2.04 -1.45 -2.10 117.51 116.47 1up6 h ILE 268 Ca 0.00 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1up6 h ILE 268 Cb 0.00 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1up6 h ILE 268 CO 0.00 0.07 0.10 -0.33 0.00 0.00 0.00 178.15 177.99 1up6 h GLU 269 N -0.10 0.65 -0.27 2.37 5.08 -0.85 -1.70 114.58 119.76 1up6 h GLU 269 Ca 0.00 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1up6 h GLU 269 Cb 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1up6 h GLU 269 CO -0.00 0.60 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.09 1up6 h LYS 270 N 0.64 0.56 -0.21 2.33 3.11 -1.77 -0.63 116.57 120.60 1up6 h LYS 270 Ca 0.14 -0.24 -0.04 0.00 -2.81 0.00 0.00 60.65 57.70 1up6 h LYS 270 Cb 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1up6 h LYS 270 CO -0.00 0.80 -0.04 1.49 -2.81 0.00 0.00 179.45 178.88 1up6 h GLU 271 N 0.48 0.40 -0.30 1.90 4.81 -0.88 -2.76 114.58 118.24 1up6 h GLU 271 Ca 0.06 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1up6 h GLU 271 Cb 0.76 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1up6 h GLU 271 CO 0.06 0.64 0.13 -0.07 -0.73 0.00 0.00 179.01 179.04 1up6 h LEU 272 N 0.13 0.40 -1.20 1.64 3.38 -1.20 -2.32 115.31 116.15 1up6 h LEU 272 Ca 0.05 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1up6 h LEU 272 Cb 0.49 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1up6 h LEU 272 CO 0.02 0.44 0.58 0.15 0.09 0.00 0.00 178.44 179.72 1up6 h PHE 273 N 0.34 0.94 0.00 1.13 3.57 -1.13 0.30 116.94 122.09 1up6 h PHE 273 Ca 0.10 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1up6 h PHE 273 Cb 0.16 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1up6 h PHE 273 CO -0.01 0.42 -0.55 0.93 -2.23 0.00 0.00 178.31 176.87 1up6 h GLU 274 N 0.87 0.00 -0.24 1.11 3.07 -1.23 -3.03 114.58 115.13 1up6 h GLU 274 Ca 0.42 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.11 1up6 h GLU 274 Cb 0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1up6 h GLU 274 CO -0.18 0.55 -0.52 -0.22 -1.40 0.00 0.00 179.01 177.24 1up6 h LYS 275 N 0.00 0.67 0.00 2.33 1.63 -0.46 -3.16 116.57 117.59 1up6 h LYS 275 Ca -0.01 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1up6 h LYS 275 Cb 1.16 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1up6 h LYS 275 CO 0.07 1.02 -0.00 1.88 -3.45 0.00 0.00 179.45 178.97 1up6 h TYR 276 N 0.52 0.00 0.00 1.91 0.05 -0.98 -1.98 116.97 116.49 1up6 h TYR 276 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1up6 h TYR 276 Cb 1.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1up6 h TYR 276 CO 0.05 0.00 -0.04 0.00 -1.05 0.00 0.00 178.16 177.13 1up6 h ARG 277 N 0.00 0.00 0.00 4.88 3.08 -1.61 -3.34 114.38 117.40 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 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1up6 h ARG 277 CO 0.00 0.04 0.00 0.25 -1.07 0.00 0.00 179.97 179.19 1up6 n THR 278 N -4.30 0.00 -2.07 2.04 -2.24 -1.00 -5.01 114.28 101.71 1up6 n THR 278 Ca -0.03 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1up6 n THR 278 Cb 0.12 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.23 3.51 -0.20 6.98 0.00 -0.78 -4.94 121.76 126.12 1up6 s ALA 279 Ca 0.00 1.30 0.19 0.00 0.00 0.00 0.00 51.96 53.46 1up6 s ALA 279 Cb 0.00 -3.50 -0.28 0.00 0.00 0.00 0.00 23.12 19.34 1up6 s ALA 279 CO 0.00 -0.70 0.50 1.33 0.00 0.00 0.00 175.76 176.89 1up6 n VAL 280 N 0.86 0.00 -4.17 0.00 0.24 -1.26 -4.97 118.33 109.03 1up6 n VAL 280 Ca 0.01 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 1up6 n VAL 280 Cb 0.41 0.24 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 1up6 n VAL 280 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1up6 s GLU 281 N -3.24 0.82 0.13 7.34 -1.05 -1.26 -4.80 118.70 116.65 1up6 s GLU 281 Ca -0.04 -1.22 -0.35 0.00 -0.15 0.00 0.00 54.97 53.21 1up6 s GLU 281 Cb 0.13 -0.36 -0.16 0.00 -0.44 0.00 0.00 34.13 33.30 1up6 s GLU 281 CO 0.80 0.03 1.37 -0.89 0.95 0.00 0.00 175.26 177.52 1up6 n ILE 282 N 0.32 0.21 -1.65 1.83 5.41 -1.26 -4.98 119.36 119.23 1up6 n ILE 282 Ca -0.14 -0.05 -0.18 0.00 1.00 0.00 0.00 62.75 63.37 1up6 n ILE 282 Cb 0.59 -1.03 0.13 0.00 -0.71 0.00 0.00 39.64 38.61 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 2.57 -0.75 -3.11 0.38 -0.05 -1.26 -5.21 135.00 127.57 1up6 n PRO 283 Ca 0.17 -1.34 -0.42 0.00 -0.05 0.00 0.00 63.50 61.87 1up6 n PRO 283 Cb 0.23 -0.84 -0.07 0.00 -0.05 0.00 0.00 33.50 32.78 1up6 n PRO 283 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1up6 s GLU 284 N -4.79 3.76 0.00 0.54 2.02 -1.26 -5.20 118.70 113.77 1up6 s GLU 284 Ca 0.47 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.61 1up6 s GLU 284 Cb -0.01 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1up6 s GLU 284 CO 0.33 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.34 1up6 n GLY 291 N 4.58 0.00 0.64 -1.39 0.00 -1.26 -5.24 105.19 102.52 1up6 n GLY 291 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1up6 n GLY 291 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1up6 n SER 292 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.57 113.62 112.28 1up6 n SER 292 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1up6 n SER 292 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1up6 n SER 292 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1up6 n TYR 294 N 0.23 0.00 -0.43 0.66 0.18 -1.26 -4.90 117.16 111.64 1up6 n TYR 294 Ca 0.00 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.75 1up6 n TYR 294 Cb 0.00 -0.20 -0.04 0.00 -0.38 0.00 0.00 39.34 38.72 1up6 n TYR 294 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1up6 n SER 295 N 0.05 3.38 0.00 9.48 7.64 -1.26 -0.30 113.62 132.61 1up6 n SER 295 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1up6 n SER 295 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1up6 n SER 295 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1up6 n THR 296 N 2.04 0.00 0.08 0.44 5.66 -1.26 -4.32 114.28 116.92 1up6 n THR 296 Ca 0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.02 1up6 n THR 296 Cb 0.41 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.21 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 0.59 0.26 1.79 0.00 -1.06 -2.67 119.26 118.16 1up6 h ALA 297 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1up6 h ALA 297 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1up6 h ALA 297 CO 0.00 0.88 -0.12 0.00 0.00 0.00 0.00 179.25 180.01 1up6 h ALA 298 N 1.02 -0.35 -0.68 0.00 0.00 -1.67 -1.82 119.26 115.78 1up6 h ALA 298 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1up6 h ALA 298 Cb 1.42 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1up6 h ALA 298 CO 0.12 -0.50 0.44 0.00 0.00 0.00 0.00 179.25 179.32 1up6 h ALA 299 N -0.14 0.86 -0.42 0.00 0.00 -1.85 -1.68 119.26 116.03 1up6 h ALA 299 Ca -0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1up6 h ALA 299 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1up6 h ALA 299 CO 0.06 0.29 -0.06 0.45 0.00 0.00 0.00 179.25 179.98 1up6 h HIS 300 N 0.92 0.78 -0.23 0.00 3.86 -1.55 -1.26 115.15 117.66 1up6 h HIS 300 Ca 0.25 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1up6 h HIS 300 Cb -0.10 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1up6 h HIS 300 CO -0.03 0.76 0.09 1.25 0.86 0.00 0.00 177.93 180.87 1up6 h LEU 301 N 0.67 0.32 -0.46 2.43 5.85 -0.90 -1.87 115.31 121.35 1up6 h LEU 301 Ca 0.12 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1up6 h LEU 301 Cb 0.51 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1up6 h LEU 301 CO 0.03 0.40 0.14 0.40 -0.34 0.00 0.00 178.44 179.07 1up6 h ILE 302 N 0.23 1.22 -0.28 4.05 2.04 -1.18 0.17 117.51 123.75 1up6 h ILE 302 Ca 0.08 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.27 1up6 h ILE 302 Cb 0.18 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 1up6 h ILE 302 CO -0.01 0.27 -0.18 -0.09 0.00 0.00 0.00 178.15 178.14 1up6 h ARG 303 N 0.60 -0.15 0.00 2.37 1.12 -1.22 -1.40 114.38 115.70 1up6 h ARG 303 Ca 0.15 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1up6 h ARG 303 Cb 0.26 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1up6 h ARG 303 CO -0.00 -0.10 0.00 -0.44 -3.11 0.00 0.00 179.97 176.32 1up6 h ASP 304 N -0.15 0.00 0.98 -3.80 3.32 -0.79 -1.10 116.42 114.87 1up6 h ASP 304 Ca 0.15 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1up6 h ASP 304 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1up6 h ASP 304 CO -0.38 0.00 -0.58 -0.07 -1.72 0.00 0.00 179.24 176.50 1up6 h LEU 305 N 0.00 0.00 0.16 1.55 4.07 -0.42 -3.31 115.31 117.37 1up6 h LEU 305 Ca 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.65 1up6 h LEU 305 Cb 0.79 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.54 1up6 h LEU 305 CO 0.00 0.58 -1.45 -0.33 -1.08 0.00 0.00 178.44 176.16 1up6 h GLU 306 N 0.00 0.35 -7.09 1.13 4.39 -0.10 0.35 114.58 113.60 1up6 h GLU 306 Ca -0.01 -0.59 -0.47 0.00 0.34 0.00 0.00 59.36 58.63 1up6 h GLU 306 Cb 1.22 0.22 0.08 0.00 -0.10 0.00 0.00 28.75 30.17 1up6 h GLU 306 CO 0.07 1.25 0.10 0.95 -1.16 0.00 0.00 179.01 180.23 1up6 s THR 307 N -2.62 2.15 -0.19 1.13 -4.23 -0.73 -4.77 115.64 106.38 1up6 s THR 307 Ca -0.08 -0.60 0.16 0.00 -1.18 0.00 0.00 61.69 59.99 1up6 s THR 307 Cb 0.06 -2.55 0.58 0.00 1.34 0.00 0.00 72.50 71.93 1up6 s THR 307 CO 0.89 0.00 1.48 -0.67 -0.54 0.00 0.00 174.62 175.78 1up6 n ASP 308 N -2.80 4.20 0.03 3.99 2.03 -1.26 -1.46 116.55 121.28 1up6 n ASP 308 Ca 0.15 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 52.31 1up6 n ASP 308 Cb 0.61 -0.57 -0.09 0.00 -0.72 0.00 0.00 41.12 40.34 1up6 n ASP 308 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1up6 h GLU 309 N 2.18 -0.08 -0.85 -0.67 4.81 -1.89 -3.47 114.58 114.59 1up6 h GLU 309 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1up6 h GLU 309 Cb 1.55 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1up6 h GLU 309 CO 0.28 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.25 1up6 n GLY 310 N -0.12 -1.78 3.17 1.92 0.00 -1.24 -5.06 105.19 102.07 1up6 n GLY 310 Ca -0.08 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.57 0.56 -0.08 1.61 3.01 -0.66 -4.92 119.74 116.70 1up6 s LYS 311 Ca 0.00 -0.29 -0.24 0.00 -1.01 0.00 0.00 55.97 54.43 1up6 s LYS 311 Cb 0.00 0.24 -0.03 0.00 -1.01 0.00 0.00 37.83 37.03 1up6 s LYS 311 CO 0.00 -0.14 0.71 0.42 0.51 0.00 0.00 175.35 176.85 1up6 s ILE 312 N -1.33 5.03 -0.03 2.17 -1.09 -1.26 -0.11 121.20 124.57 1up6 s ILE 312 Ca -0.14 1.46 0.02 0.00 -2.23 0.00 0.00 60.65 59.76 1up6 s ILE 312 Cb -0.06 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1up6 s ILE 312 CO 0.03 0.22 -0.09 -1.00 -1.23 0.00 0.00 174.94 172.87 1up6 s HIS 313 N 1.01 0.96 -0.18 3.97 3.76 -0.65 -4.94 115.29 119.22 1up6 s HIS 313 Ca 0.37 -0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.77 1up6 s HIS 313 Cb -0.18 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 1up6 s HIS 313 CO 0.17 -0.13 0.88 0.42 -0.85 0.00 0.00 174.74 175.23 1up6 s ILE 314 N 0.33 4.84 0.18 0.60 1.01 -1.26 -1.31 121.20 125.58 1up6 s ILE 314 Ca -0.05 1.72 -0.05 0.00 0.00 0.00 0.00 60.65 62.26 1up6 s ILE 314 Cb -0.10 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1up6 s ILE 314 CO 0.01 -0.01 0.22 0.68 0.00 0.00 0.00 174.94 175.83 1up6 s VAL 315 N 2.31 0.05 -0.22 2.92 -7.23 -0.42 -4.86 120.40 112.94 1up6 s VAL 315 Ca 0.40 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.70 1up6 s VAL 315 Cb -0.16 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1up6 s VAL 315 CO 0.12 -0.21 0.53 0.20 -0.31 0.00 0.00 175.10 175.42 1up6 s ASN 316 N -3.05 6.52 0.25 4.85 0.01 0.36 -1.48 114.94 122.40 1up6 s ASN 316 Ca 0.26 0.62 -0.22 0.00 -0.71 0.00 0.00 52.86 52.81 1up6 s ASN 316 Cb 0.05 -2.29 0.04 0.00 0.41 0.00 0.00 41.25 39.45 1up6 s ASN 316 CO 0.05 -0.23 0.80 0.28 -1.51 0.00 0.00 177.10 176.49 1up6 s THR 317 N 1.93 0.00 0.29 1.60 -1.32 -0.05 -3.05 115.64 115.04 1up6 s THR 317 Ca 0.23 -0.90 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 1up6 s THR 317 Cb -0.15 -2.11 -0.12 0.00 -1.51 0.00 0.00 72.50 68.61 1up6 s THR 317 CO 0.09 0.00 1.58 0.54 -2.21 0.00 0.00 174.62 174.63 1up6 n ARG 318 N -0.48 2.65 -0.11 7.08 1.74 -1.26 -0.31 116.66 125.98 1up6 n ARG 318 Ca -0.05 0.94 -0.07 0.00 -0.77 0.00 0.00 57.85 57.90 1up6 n ARG 318 Cb 0.60 -2.72 -0.01 0.00 -1.02 0.00 0.00 32.46 29.31 1up6 n ARG 318 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1up6 h ASN 319 N 4.74 -1.00 -7.02 0.55 -1.24 -0.50 -3.46 115.58 107.65 1up6 h ASN 319 Ca -0.47 0.18 -0.61 0.00 0.71 0.00 0.00 56.30 56.11 1up6 h ASN 319 Cb 1.23 0.48 -0.15 0.00 0.73 0.00 0.00 38.32 40.61 1up6 h ASN 319 CO 0.79 -0.31 -0.98 0.59 -1.29 0.00 0.00 177.43 176.23 1up6 n ASN 320 N -5.41 -0.57 0.00 1.15 5.03 -0.13 -1.56 115.26 113.76 1up6 n ASN 320 Ca 0.01 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.19 1up6 n ASN 320 Cb 0.33 -1.68 0.00 0.00 -1.02 0.00 0.00 39.78 37.41 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 -2.42 1.09 0.18 7.41 0.00 -1.26 -4.90 105.19 105.29 1up6 n GLY 321 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 0.49 -3.60 1.61 0.87 -1.48 -3.34 113.55 108.10 1up6 h SER 322 Ca 0.00 -0.02 -0.71 0.00 -1.23 0.00 0.00 61.79 59.83 1up6 h SER 322 Cb 0.00 -0.12 -0.27 0.00 -0.44 0.00 0.00 62.40 61.57 1up6 h SER 322 CO 0.00 0.36 -0.54 -0.63 -0.53 0.00 0.00 176.83 175.49 1up6 s ILE 323 N -6.11 4.22 0.47 2.23 -1.09 -1.26 -0.88 121.20 118.78 1up6 s ILE 323 Ca -0.13 -1.06 0.16 0.00 -2.23 0.00 0.00 60.65 57.39 1up6 s ILE 323 Cb 0.11 -3.41 0.22 0.00 -1.58 0.00 0.00 42.46 37.80 1up6 s ILE 323 CO 0.73 -0.27 2.05 1.05 -1.23 0.00 0.00 174.94 177.27 1up6 h GLU 324 N 8.35 0.00 -0.86 2.79 4.11 -1.33 -2.60 114.58 125.05 1up6 h GLU 324 Ca -0.24 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.84 1up6 h GLU 324 Cb 1.09 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.13 1up6 h GLU 324 CO 0.66 0.12 0.44 0.27 0.07 0.00 0.00 179.01 180.57 1up6 n ASN 325 N -4.33 4.37 -4.21 3.06 6.94 -1.26 -4.85 115.26 114.98 1up6 n ASN 325 Ca -0.03 -3.40 -0.23 0.00 -0.02 0.00 0.00 54.58 50.90 1up6 n ASN 325 Cb 0.20 -0.79 -0.14 0.00 -2.36 0.00 0.00 39.78 36.69 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 -3.13 2.18 0.54 -4.53 1.02 -0.98 -4.96 118.68 108.82 1up6 s LEU 326 Ca 0.56 -0.51 -0.22 0.00 0.02 0.00 0.00 54.13 53.98 1up6 s LEU 326 Cb 0.46 -0.81 -0.06 0.00 0.02 0.00 0.00 46.19 45.80 1up6 s LEU 326 CO 0.12 0.10 1.28 -2.65 0.02 0.00 0.00 176.35 175.22 1up6 n PRO 327 N 1.79 1.59 -0.02 1.29 -0.02 -1.26 -4.81 135.00 133.56 1up6 n PRO 327 Ca -0.18 0.58 0.17 0.00 -2.02 0.00 0.00 63.50 62.06 1up6 n PRO 327 Cb 0.54 -2.48 0.63 0.00 -0.02 0.00 0.00 33.50 32.17 1up6 n PRO 327 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1up6 h ASP 328 N 1.37 0.12 -0.00 2.55 3.32 -1.95 -2.88 116.42 118.94 1up6 h ASP 328 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1up6 h ASP 328 Cb 1.31 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1up6 h ASP 328 CO 0.56 0.07 -0.04 -0.90 -1.72 0.00 0.00 179.24 177.21 1up6 n ASP 329 N -4.42 2.01 -4.70 6.45 5.75 -1.26 -0.96 116.55 119.42 1up6 n ASP 329 Ca 0.09 -1.63 -0.42 0.00 -0.01 0.00 0.00 54.79 52.82 1up6 n ASP 329 Cb 0.51 0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.61 1up6 n ASP 329 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1up6 s TYR 330 N -2.06 2.78 0.00 2.11 1.51 -1.09 -4.73 117.35 115.87 1up6 s TYR 330 Ca 0.32 0.56 -0.30 0.00 -1.01 0.00 0.00 57.07 56.64 1up6 s TYR 330 Cb 0.20 -3.88 -0.05 0.00 -0.11 0.00 0.00 41.96 38.13 1up6 s TYR 330 CO 0.35 -3.36 1.25 0.08 -1.11 0.00 0.00 175.55 172.76 1up6 s VAL 331 N 1.95 4.02 0.16 0.71 1.01 -1.26 -0.40 120.40 126.58 1up6 s VAL 331 Ca 0.70 1.40 0.06 0.00 0.00 0.00 0.00 61.98 64.15 1up6 s VAL 331 Cb -0.40 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1up6 s VAL 331 CO 0.31 0.04 -0.13 -0.76 0.00 0.00 0.00 175.10 174.56 1up6 s LEU 332 N 1.84 2.49 -0.43 3.92 1.43 0.58 -4.87 118.68 123.64 1up6 s LEU 332 Ca 0.59 -0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 1up6 s LEU 332 Cb -0.28 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.42 1up6 s LEU 332 CO 0.26 -0.20 0.52 -0.70 0.23 0.00 0.00 176.35 176.46 1up6 s GLU 333 N -3.27 3.18 0.09 1.70 2.12 -0.06 -0.87 118.70 121.59 1up6 s GLU 333 Ca 0.15 -0.59 -0.13 0.00 0.36 0.00 0.00 54.97 54.76 1up6 s GLU 333 Cb -0.02 -3.96 0.02 0.00 0.26 0.00 0.00 34.13 30.44 1up6 s GLU 333 CO 0.04 -0.91 0.31 0.96 -0.54 0.00 0.00 175.26 175.12 1up6 s ILE 334 N 2.41 0.10 0.17 -3.70 -4.36 -0.55 -3.39 121.20 111.88 1up6 s ILE 334 Ca 0.16 -0.80 -0.30 0.00 -0.26 0.00 0.00 60.65 59.46 1up6 s ILE 334 Cb -0.16 -1.16 -0.07 0.00 1.25 0.00 0.00 42.46 42.32 1up6 s ILE 334 CO 0.16 -0.44 1.01 -2.84 0.24 0.00 0.00 174.94 173.07 1up6 s PRO 335 N -3.47 4.70 0.05 0.37 0.02 -1.26 -1.31 135.00 134.10 1up6 s PRO 335 Ca 0.01 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.63 1up6 s PRO 335 Cb 0.02 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 1up6 s PRO 335 CO -0.09 0.24 -0.10 0.00 -0.33 0.00 0.00 177.00 176.73 1up6 s TYR 337 N -1.38 3.22 -0.20 0.00 5.04 0.72 -1.64 117.35 123.11 1up6 s TYR 337 Ca -0.07 0.50 -0.04 0.00 -2.44 0.00 0.00 57.07 55.02 1up6 s TYR 337 Cb -0.10 -2.87 -0.01 0.00 0.35 0.00 0.00 41.96 39.33 1up6 s TYR 337 CO 0.01 -0.41 -0.04 0.08 -1.34 0.00 0.00 175.55 173.84 1up6 s VAL 338 N 2.44 3.53 -0.29 3.14 1.01 0.84 -0.86 120.40 130.20 1up6 s VAL 338 Ca 0.22 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1up6 s VAL 338 Cb -0.15 -2.59 0.11 0.00 0.00 0.00 0.00 36.38 33.75 1up6 s VAL 338 CO 0.11 0.44 0.71 -0.60 0.00 0.00 0.00 175.10 175.76 1up6 s ARG 339 N 1.16 0.61 -1.26 2.72 3.52 -0.72 -1.65 118.95 123.32 1up6 s ARG 339 Ca 0.02 1.24 -0.21 0.00 -0.13 0.00 0.00 55.73 56.65 1up6 s ARG 339 Cb -0.14 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1up6 s ARG 339 CO -0.00 -0.16 0.59 0.43 -0.81 0.00 0.00 175.30 175.35 1up6 n SER 340 N 4.72 -3.29 0.00 -2.12 7.64 -0.53 -1.01 113.62 119.03 1up6 n SER 340 Ca -0.16 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.55 1up6 n SER 340 Cb 0.55 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.33 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 -2.01 1.85 3.50 0.23 0.00 0.12 -5.01 105.19 103.87 1up6 n GLY 341 Ca -0.16 0.00 -0.26 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 -0.00 1.80 -0.16 1.61 0.52 -0.18 -5.10 118.95 117.44 1up6 s ARG 342 Ca 0.00 -1.48 -0.00 0.00 -0.52 0.00 0.00 55.73 53.72 1up6 s ARG 342 Cb 0.00 -1.96 0.04 0.00 0.52 0.00 0.00 34.95 33.55 1up6 s ARG 342 CO 0.00 0.39 -0.07 0.08 0.02 0.00 0.00 175.30 175.72 1up6 s VAL 343 N -1.91 1.22 -0.18 3.52 1.01 -1.26 -1.76 120.40 121.03 1up6 s VAL 343 Ca 0.25 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1up6 s VAL 343 Cb -0.07 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1up6 s VAL 343 CO 0.13 0.23 -0.04 -1.00 0.00 0.00 0.00 175.10 174.43 1up6 s HIS 344 N 1.60 2.99 0.50 5.22 3.76 -0.04 -4.94 115.29 124.38 1up6 s HIS 344 Ca 0.02 -0.51 -0.19 0.00 -0.15 0.00 0.00 55.06 54.23 1up6 s HIS 344 Cb -0.14 -2.01 -0.08 0.00 1.11 0.00 0.00 32.58 31.45 1up6 s HIS 344 CO -0.08 -0.22 1.03 0.95 -0.85 0.00 0.00 174.74 175.57 1up6 s THR 345 N 0.78 3.90 -0.03 1.30 -4.23 -1.26 -0.20 115.64 115.90 1up6 s THR 345 Ca -0.01 1.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.64 1up6 s THR 345 Cb -0.14 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1up6 s THR 345 CO 0.02 -0.33 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.91 1up6 s LEU 346 N -3.68 3.00 0.15 4.79 1.02 -1.25 -4.85 118.68 117.86 1up6 s LEU 346 Ca 0.65 -0.15 -0.34 0.00 0.02 0.00 0.00 54.13 54.31 1up6 s LEU 346 Cb -0.15 -1.68 -0.15 0.00 0.02 0.00 0.00 46.19 44.23 1up6 s LEU 346 CO 0.23 0.32 1.48 -1.20 0.02 0.00 0.00 176.35 177.20 1up6 n SER 347 N 1.94 2.61 0.00 2.29 7.64 -1.26 -4.34 113.62 122.50 1up6 n SER 347 Ca -0.17 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1up6 n SER 347 Cb 0.52 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 3.00 1.96 0.00 1.43 6.02 -0.05 -5.04 117.38 124.70 1up6 n GLN 348 Ca 0.17 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1up6 n GLN 348 Cb 0.26 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 30.93 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 -0.05 3.90 1.08 0.00 -1.24 -4.95 105.19 104.26 1up6 n GLY 349 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 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 3.63 0.27 1.61 1.02 -1.26 -1.32 119.74 123.70 1up6 s LYS 350 Ca 0.00 -0.06 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 1up6 s LYS 350 Cb 0.00 -2.79 -0.06 0.00 -0.52 0.00 0.00 37.83 34.47 1up6 s LYS 350 CO 0.00 0.40 0.56 0.20 -0.92 0.00 0.00 175.35 175.59 1up6 s GLY 351 N -2.63 2.00 0.30 -3.33 0.00 -1.26 -4.94 107.32 97.45 1up6 s GLY 351 Ca 0.42 -0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 1up6 s GLY 351 CO 0.25 -0.34 1.09 -0.35 0.00 0.00 0.00 173.10 173.76 1up6 s ASP 352 N -2.91 7.20 0.29 1.64 -1.08 -1.26 -4.91 116.67 115.63 1up6 s ASP 352 Ca 0.45 2.24 0.01 0.00 -0.52 0.00 0.00 52.55 54.74 1up6 s ASP 352 Cb -0.11 -2.62 0.55 0.00 -1.46 0.00 0.00 42.92 39.28 1up6 s ASP 352 CO 0.27 -0.19 1.85 0.45 0.52 0.00 0.00 175.17 178.07 1up6 h HIS 353 N 3.64 1.13 -0.50 -5.34 3.86 -1.98 -1.08 115.15 114.88 1up6 h HIS 353 Ca -0.47 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.76 1up6 h HIS 353 Cb 1.21 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 1up6 h HIS 353 CO 0.59 0.48 0.26 0.35 0.86 0.00 0.00 177.93 180.46 1up6 h PHE 354 N 1.01 0.70 -0.07 2.45 3.04 -1.98 -1.54 116.94 120.56 1up6 h PHE 354 Ca 0.48 -0.02 -0.20 0.00 3.98 0.00 0.00 57.97 62.21 1up6 h PHE 354 Cb 0.44 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 1up6 h PHE 354 CO -0.00 0.54 -0.78 0.00 -2.02 0.00 0.00 178.31 176.05 1up6 h ALA 355 N 1.10 0.52 -0.86 2.41 0.00 -1.88 -3.06 119.26 117.49 1up6 h ALA 355 Ca 0.17 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1up6 h ALA 355 Cb 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1up6 h ALA 355 CO -0.03 0.77 0.56 -0.07 0.00 0.00 0.00 179.25 180.48 1up6 h LEU 356 N 0.29 0.84 -0.56 0.00 4.07 -0.96 -1.50 115.31 117.49 1up6 h LEU 356 Ca -0.04 0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.95 1up6 h LEU 356 Cb 1.37 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 1up6 h LEU 356 CO 0.14 0.54 0.33 0.77 -1.08 0.00 0.00 178.44 179.14 1up6 h SER 357 N 0.95 0.53 -0.15 -0.43 4.64 -1.18 -0.65 113.55 117.27 1up6 h SER 357 Ca 0.37 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1up6 h SER 357 Cb 0.23 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1up6 h SER 357 CO -0.14 0.37 -0.00 -0.26 -0.87 0.00 0.00 176.83 175.93 1up6 h PHE 358 N 0.66 0.30 0.02 4.77 0.04 -1.54 -2.85 116.94 118.33 1up6 h PHE 358 Ca 0.23 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1up6 h PHE 358 Cb 0.05 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1up6 h PHE 358 CO -0.07 0.49 -0.01 0.82 -0.60 0.00 0.00 178.31 178.95 1up6 h ILE 359 N 0.02 1.01 -0.29 -0.55 2.04 -1.07 -1.63 117.51 117.03 1up6 h ILE 359 Ca 0.04 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1up6 h ILE 359 Cb 0.38 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1up6 h ILE 359 CO 0.01 0.02 0.11 0.45 0.00 0.00 0.00 178.15 178.74 1up6 h HIS 360 N -0.07 0.19 -0.37 1.37 3.86 -1.20 -0.71 115.15 118.22 1up6 h HIS 360 Ca -0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1up6 h HIS 360 Cb 0.06 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1up6 h HIS 360 CO -0.06 0.09 0.16 0.00 0.86 0.00 0.00 177.93 178.97 1up6 h ALA 361 N 1.18 0.48 0.00 2.45 0.00 -1.22 -2.71 119.26 119.43 1up6 h ALA 361 Ca 0.13 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1up6 h ALA 361 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1up6 h ALA 361 CO -0.12 0.07 -0.82 0.28 0.00 0.00 0.00 179.25 178.65 1up6 h VAL 362 N 0.45 1.55 0.00 0.00 2.07 -1.26 -1.77 116.25 117.29 1up6 h VAL 362 Ca 0.12 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1up6 h VAL 362 Cb 0.16 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1up6 h VAL 362 CO -0.01 0.78 0.00 1.17 0.02 0.00 0.00 177.57 179.52 1up6 n LYS 363 N -3.61 0.25 0.00 1.57 3.00 -0.28 -0.04 118.16 119.06 1up6 n LYS 363 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1up6 n LYS 363 Cb 0.78 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.46 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 0.82 0.00 -0.19 5.64 4.19 -0.67 -1.97 117.16 124.99 1up6 n TYR 365 Ca 0.00 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.14 1up6 n TYR 365 Cb 0.12 0.00 0.02 0.00 0.49 0.00 0.00 39.34 39.98 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 0.74 -0.05 2.98 5.08 -0.73 -1.54 114.58 121.06 1up6 h GLU 366 Ca 0.00 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1up6 h GLU 366 Cb 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1up6 h GLU 366 CO 0.00 0.53 -0.70 0.00 -1.00 0.00 0.00 179.01 177.85 1up6 h ARG 367 N 0.73 0.23 -0.56 2.33 2.47 -1.66 -1.93 114.38 115.99 1up6 h ARG 367 Ca 0.20 -0.18 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1up6 h ARG 367 Cb -0.02 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1up6 h ARG 367 CO -0.04 0.83 0.06 -0.07 0.56 0.00 0.00 179.97 181.31 1up6 h LEU 368 N 0.16 0.87 -0.07 3.04 3.38 -1.79 0.39 115.31 121.28 1up6 h LEU 368 Ca -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1up6 h LEU 368 Cb 1.24 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1up6 h LEU 368 CO 0.11 0.90 -0.00 0.74 0.09 0.00 0.00 178.44 180.28 1up6 h THR 369 N 0.86 1.25 -0.48 0.22 2.02 -1.09 0.47 112.91 116.16 1up6 h THR 369 Ca 0.17 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1up6 h THR 369 Cb 0.43 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1up6 h THR 369 CO 0.01 0.22 0.28 0.40 0.37 0.00 0.00 175.52 176.80 1up6 h ILE 370 N -0.16 1.03 -0.84 3.11 2.04 -1.21 -0.97 117.51 120.50 1up6 h ILE 370 Ca 0.02 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1up6 h ILE 370 Cb 0.35 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1up6 h ILE 370 CO 0.00 0.10 0.55 -0.33 0.00 0.00 0.00 178.15 178.47 1up6 h GLU 371 N 0.55 1.06 -0.86 2.37 5.08 -0.79 -0.24 114.58 121.75 1up6 h GLU 371 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1up6 h GLU 371 Cb 0.04 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1up6 h GLU 371 CO -0.10 0.70 0.51 0.00 -1.00 0.00 0.00 179.01 179.12 1up6 h ALA 372 N 1.33 1.28 -0.18 3.43 0.00 -0.50 -2.71 119.26 121.91 1up6 h ALA 372 Ca 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1up6 h ALA 372 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1up6 h ALA 372 CO -0.09 0.61 0.03 -0.92 0.00 0.00 0.00 179.25 178.88 1up6 h TYR 373 N 1.19 0.32 0.00 0.00 3.20 -0.30 -0.99 116.97 120.39 1up6 h TYR 373 Ca 0.31 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1up6 h TYR 373 Cb -0.03 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1up6 h TYR 373 CO 0.01 0.45 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.78 1up6 h LEU 374 N 0.09 0.00 -1.97 2.82 3.38 -0.83 -1.78 115.31 117.02 1up6 h LEU 374 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1up6 h LEU 374 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1up6 h LEU 374 CO 0.00 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.95 1up6 n LYS 375 N -3.46 1.94 -3.94 1.13 5.02 -1.04 -4.98 118.16 112.82 1up6 n LYS 375 Ca -0.01 -1.83 -0.27 0.00 -2.02 0.00 0.00 58.31 54.17 1up6 n LYS 375 Cb 0.29 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1up6 n LYS 375 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1up6 n ARG 376 N 1.14 -4.02 -3.98 1.97 5.12 -0.67 -4.89 116.66 111.33 1up6 n ARG 376 Ca 0.13 0.48 -0.35 0.00 -1.93 0.00 0.00 57.85 56.18 1up6 n ARG 376 Cb 0.51 -4.94 -0.13 0.00 -1.16 0.00 0.00 32.46 26.73 1up6 n ARG 376 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1up6 s SER 377 N -3.98 4.72 0.07 0.55 0.15 -0.46 -0.56 113.70 114.19 1up6 s SER 377 Ca 0.26 -0.26 -0.23 0.00 0.70 0.00 0.00 55.95 56.42 1up6 s SER 377 Cb -0.13 -1.81 -0.15 0.00 -1.71 0.00 0.00 66.02 62.21 1up6 s SER 377 CO 0.87 0.02 1.64 0.11 1.20 0.00 0.00 173.24 177.09 1up6 h LYS 378 N 7.80 0.04 -0.58 5.44 1.57 -1.16 -1.71 116.57 127.96 1up6 h LYS 378 Ca -0.38 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1up6 h LYS 378 Cb 1.17 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.36 1up6 h LYS 378 CO 0.60 0.13 -0.29 0.87 -0.57 0.00 0.00 179.45 180.20 1up6 h LYS 379 N -0.06 -0.13 0.00 3.15 1.57 -1.94 -0.87 116.57 118.29 1up6 h LYS 379 Ca 0.01 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1up6 h LYS 379 Cb 0.11 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1up6 h LYS 379 CO -0.00 -0.08 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.68 1up6 h LEU 380 N -0.13 0.00 -0.43 2.94 3.38 -1.91 -2.66 115.31 116.50 1up6 h LEU 380 Ca 0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1up6 h LEU 380 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1up6 h LEU 380 CO -0.66 0.05 -0.59 0.00 0.09 0.00 0.00 178.44 177.33 1up6 h ALA 381 N 1.95 0.60 -0.57 1.53 0.00 -0.29 -1.07 119.26 121.42 1up6 h ALA 381 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1up6 h ALA 381 Cb 0.69 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1up6 h ALA 381 CO 0.01 0.69 0.34 -0.07 0.00 0.00 0.00 179.25 180.23 1up6 h LEU 382 N 0.48 0.69 -0.20 0.00 4.07 -0.88 0.12 115.31 119.58 1up6 h LEU 382 Ca 0.00 -0.06 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1up6 h LEU 382 Cb 1.15 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 1up6 h LEU 382 CO 0.11 0.55 0.06 0.50 -1.08 0.00 0.00 178.44 178.58 1up6 h LYS 383 N 0.77 0.15 -0.40 1.13 3.64 -1.33 0.10 116.57 120.63 1up6 h LYS 383 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1up6 h LYS 383 Cb -0.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1up6 h LYS 383 CO -0.04 0.10 0.26 0.00 -2.27 0.00 0.00 179.45 177.50 1up6 h ALA 384 N 1.13 0.51 -0.41 5.00 0.00 -0.92 -2.57 119.26 122.00 1up6 h ALA 384 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1up6 h ALA 384 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1up6 h ALA 384 CO -0.10 -0.03 0.25 1.25 0.00 0.00 0.00 179.25 180.62 1up6 h LEU 385 N 0.54 0.41 -2.18 0.00 5.85 -0.65 -2.14 115.31 117.15 1up6 h LEU 385 Ca 0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1up6 h LEU 385 Cb -0.05 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1up6 h LEU 385 CO -0.03 0.30 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.26 1up6 h LEU 386 N 0.51 0.00 -0.07 2.25 3.38 -0.84 -2.96 115.31 117.59 1up6 h LEU 386 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1up6 h LEU 386 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1up6 h LEU 386 CO -0.06 0.04 -0.20 0.77 0.09 0.00 0.00 178.44 179.08 1up6 h SER 387 N 0.00 0.00 -3.10 -0.43 4.64 -0.97 -3.46 113.55 110.23 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 0.09 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1up6 h SER 387 CO 0.01 0.20 0.71 -2.28 -0.87 0.00 0.00 176.83 174.59 1up6 s HIS 388 N -3.14 3.23 0.58 4.77 5.04 -1.12 -4.80 115.29 119.86 1up6 s HIS 388 Ca 0.06 1.01 0.28 0.00 -1.54 0.00 0.00 55.06 54.87 1up6 s HIS 388 Cb 0.06 -3.68 1.52 0.00 0.04 0.00 0.00 32.58 30.53 1up6 s HIS 388 CO 0.69 -2.31 1.96 -1.35 -2.34 0.00 0.00 174.74 171.40 1up6 h PRO 389 N 6.40 0.00 -0.44 2.88 0.11 -1.90 -0.45 132.00 138.60 1up6 h PRO 389 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.84 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.91 1up6 n LEU 390 N -3.79 3.20 -4.57 2.35 4.77 -1.26 -5.02 117.00 112.68 1up6 n LEU 390 Ca 0.06 -1.86 -0.30 0.00 -0.03 0.00 0.00 56.01 53.88 1up6 n LEU 390 Cb 0.56 -0.29 0.25 0.00 -2.33 0.00 0.00 43.42 41.62 1up6 n LEU 390 CO 0.28 0.78 0.61 -0.83 -1.33 0.00 0.00 177.39 176.90 1up6 s GLY 391 N -1.05 1.58 0.58 -0.72 0.00 -0.18 -4.61 107.32 102.93 1up6 s GLY 391 Ca 0.31 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 1up6 s GLY 391 CO 0.22 -0.13 1.05 2.56 0.00 0.00 0.00 173.10 176.80 1up6 s PRO 392 N -5.51 3.41 0.75 2.90 0.04 -1.26 -5.01 135.00 130.33 1up6 s PRO 392 Ca 0.72 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1up6 s PRO 392 Cb -0.08 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1up6 s PRO 392 CO 0.56 -0.73 1.10 -0.51 0.04 0.00 0.00 177.00 177.45 1up6 s ASP 393 N -2.74 4.61 0.30 6.66 1.01 -1.26 -4.73 116.67 120.51 1up6 s ASP 393 Ca 0.63 1.89 -0.02 0.00 0.71 0.00 0.00 52.55 55.77 1up6 s ASP 393 Cb -0.16 -2.53 0.66 0.00 1.01 0.00 0.00 42.92 41.90 1up6 s ASP 393 CO 0.35 -1.96 1.57 0.58 0.21 0.00 0.00 175.17 175.91 1up6 h VAL 394 N -0.82 0.01 0.00 -1.27 2.07 -1.97 -1.51 116.25 112.76 1up6 h VAL 394 Ca -0.44 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1up6 h VAL 394 Cb 1.24 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1up6 h VAL 394 CO 0.52 0.00 -0.05 1.05 0.02 0.00 0.00 177.57 179.11 1up6 h GLU 395 N 0.00 0.00 -0.01 1.57 4.11 -2.05 -2.87 114.58 115.34 1up6 h GLU 395 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1up6 h GLU 395 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1up6 h GLU 395 CO -0.97 0.05 -0.56 -0.25 0.07 0.00 0.00 179.01 177.35 1up6 n ASP 396 N -3.46 1.24 -0.15 3.06 8.00 -0.60 -4.77 116.55 119.87 1up6 n ASP 396 Ca -0.02 -1.12 -0.09 0.00 0.71 0.00 0.00 54.79 54.28 1up6 n ASP 396 Cb 0.17 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 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 2.65 0.58 -0.12 2.24 0.00 -1.23 -2.00 119.26 121.37 1up6 h ALA 397 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1up6 h ALA 397 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1up6 h ALA 397 CO 0.00 0.17 0.02 0.87 0.00 0.00 0.00 179.25 180.32 1up6 h LYS 398 N 0.58 0.20 -0.62 0.00 1.57 -1.86 -1.32 116.57 115.12 1up6 h LYS 398 Ca 0.15 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1up6 h LYS 398 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1up6 h LYS 398 CO -0.01 0.39 0.08 -0.44 -0.57 0.00 0.00 179.45 178.90 1up6 h ASP 399 N -0.01 1.00 -0.12 0.86 5.19 -1.89 -1.90 116.42 119.55 1up6 h ASP 399 Ca 0.04 -0.27 0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1up6 h ASP 399 Cb 0.28 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1up6 h ASP 399 CO 0.00 1.02 0.05 0.25 -3.12 0.00 0.00 179.24 177.44 1up6 h LEU 400 N 0.95 0.07 -0.41 1.55 5.85 -1.26 -1.37 115.31 120.69 1up6 h LEU 400 Ca 0.19 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1up6 h LEU 400 Cb 0.45 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1up6 h LEU 400 CO 0.02 0.06 0.21 0.25 -0.34 0.00 0.00 178.44 178.64 1up6 h LEU 401 N 0.12 0.53 -0.07 2.25 5.85 -1.14 -1.10 115.31 121.75 1up6 h LEU 401 Ca 0.05 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1up6 h LEU 401 Cb 0.01 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1up6 h LEU 401 CO -0.04 0.49 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.04 1up6 h GLU 402 N 0.53 -0.24 -0.50 1.25 4.39 -1.20 0.60 114.58 119.42 1up6 h GLU 402 Ca 0.14 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.95 1up6 h GLU 402 Cb 0.09 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 1up6 h GLU 402 CO -0.02 -0.16 0.09 1.49 -1.16 0.00 0.00 179.01 179.25 1up6 h GLU 403 N -0.25 0.22 -0.08 2.33 4.81 -0.93 0.13 114.58 120.81 1up6 h GLU 403 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1up6 h GLU 403 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1up6 h GLU 403 CO -0.22 0.15 0.03 0.82 -0.73 0.00 0.00 179.01 179.06 1up6 h ILE 404 N 0.23 1.00 -0.56 2.32 2.04 -0.85 -1.28 117.51 120.40 1up6 h ILE 404 Ca 0.25 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 1up6 h ILE 404 Cb 0.34 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1up6 h ILE 404 CO -0.33 0.01 0.18 -0.07 0.00 0.00 0.00 178.15 177.95 1up6 h LEU 405 N 0.08 0.77 -0.41 1.44 3.38 -0.37 -1.34 115.31 118.86 1up6 h LEU 405 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1up6 h LEU 405 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1up6 h LEU 405 CO -0.02 0.72 0.24 -0.33 0.09 0.00 0.00 178.44 179.14 1up6 h GLU 406 N 0.82 0.57 -0.48 1.13 5.08 -0.57 -2.88 114.58 118.24 1up6 h GLU 406 Ca 0.19 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1up6 h GLU 406 Cb 0.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1up6 h GLU 406 CO -0.01 0.44 0.01 0.00 -1.00 0.00 0.00 179.01 178.45 1up6 h ALA 407 N 1.10 1.11 -0.80 3.43 0.00 -0.42 -3.14 119.26 120.54 1up6 h ALA 407 Ca 0.15 -0.26 -0.43 0.00 0.00 0.00 0.00 54.91 54.37 1up6 h ALA 407 Cb 0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 17.79 17.37 1up6 h ALA 407 CO -0.03 0.57 0.41 0.09 0.00 0.00 0.00 179.25 180.30 1up6 n ASN 408 N -4.22 3.73 -0.32 0.00 3.02 -0.58 -4.72 115.26 112.17 1up6 n ASN 408 Ca 0.03 -3.69 0.16 0.00 -0.03 0.00 0.00 54.58 51.05 1up6 n ASN 408 Cb 0.29 -0.78 0.35 0.00 -0.61 0.00 0.00 39.78 39.04 1up6 n ASN 408 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1up6 h ARG 409 N 1.12 0.39 0.00 3.52 2.43 -1.46 -0.95 114.38 119.42 1up6 h ARG 409 Ca 0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1up6 h ARG 409 Cb 2.29 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.76 1up6 h ARG 409 CO 0.93 0.26 0.00 0.39 -1.51 0.00 0.00 179.97 180.03 1up6 n GLU 410 N -5.04 0.03 0.00 0.20 4.71 -1.26 -4.24 120.64 115.04 1up6 n GLU 410 Ca 0.25 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 1up6 n GLU 410 Cb 0.74 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 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 -1.48 0.00 -4.03 -0.32 4.01 -0.48 -5.05 117.16 109.80 1up6 n TYR 411 Ca 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.67 1up6 n TYR 411 Cb 0.30 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.19 1up6 n TYR 411 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1up6 s VAL 412 N -1.92 0.24 -0.11 -0.72 0.11 -0.50 -4.83 120.40 112.68 1up6 s VAL 412 Ca 0.00 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.82 1up6 s VAL 412 Cb 0.00 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1up6 s VAL 412 CO 0.00 0.02 0.03 -0.75 -3.33 0.00 0.00 175.10 171.07 1up6 s LYS 413 N -0.20 0.46 0.02 1.54 2.47 -1.26 -4.45 119.74 118.31 1up6 s LYS 413 Ca -0.00 0.00 0.07 0.00 -1.56 0.00 0.00 55.97 54.48 1up6 s LYS 413 Cb -0.02 -1.27 -0.03 0.00 -1.46 0.00 0.00 37.83 35.05 1up6 s LYS 413 CO -0.00 -0.43 -0.19 -0.51 0.16 0.00 0.00 175.35 174.38 1up6 s LEU 414 N 1.99 2.52 0.00 5.43 1.02 -1.26 -4.90 118.68 123.49 1up6 s LEU 414 Ca 0.03 -0.40 0.10 0.00 0.02 0.00 0.00 54.13 53.88 1up6 s LEU 414 Cb -0.14 -1.48 0.08 0.00 0.02 0.00 0.00 46.19 44.67 1up6 s LEU 414 CO -0.06 0.28 0.81 0.61 0.02 0.00 0.00 176.35 178.01