#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8o s LYS 27 N 0.00 2.64 -0.25 0.00 1.02 -1.26 -4.83 119.74 117.06 3i8o s LYS 27 Ca 0.00 0.70 -0.01 0.00 0.02 0.00 0.00 55.97 56.68 3i8o s LYS 27 Cb 0.00 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 3i8o s LYS 27 CO 0.00 -1.24 -0.06 0.21 -0.92 0.00 0.00 175.35 173.34 3i8o s LYS 28 N -5.17 2.74 0.04 1.68 2.20 -1.26 -2.28 119.74 117.68 3i8o s LYS 28 Ca 0.59 -1.04 0.09 0.00 -0.36 0.00 0.00 55.97 55.25 3i8o s LYS 28 Cb -0.13 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 3i8o s LYS 28 CO 0.54 -0.43 -0.26 0.14 -0.36 0.00 0.00 175.35 174.97 3i8o s VAL 29 N 1.30 2.11 -0.15 4.02 -7.23 -0.80 -0.43 120.40 119.22 3i8o s VAL 29 Ca -0.01 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3i8o s VAL 29 Cb -0.17 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 34.98 3i8o s VAL 29 CO -0.04 0.39 -0.19 0.00 -0.31 0.00 0.00 175.10 174.94 3i8o s VAL 31 N 0.81 4.64 0.51 0.00 -7.23 -0.97 -0.78 120.40 117.38 3i8o s VAL 31 Ca -0.06 1.22 0.03 0.00 -1.81 0.00 0.00 61.98 61.36 3i8o s VAL 31 Cb -0.15 -3.87 0.03 0.00 0.56 0.00 0.00 36.38 32.95 3i8o s VAL 31 CO -0.01 0.30 0.72 -0.62 -0.31 0.00 0.00 175.10 175.18 3i8o s ASP 32 N -1.53 5.37 0.09 4.85 -1.08 -0.64 -4.55 116.67 119.18 3i8o s ASP 32 Ca 0.39 -0.16 -0.13 0.00 -0.52 0.00 0.00 52.55 52.12 3i8o s ASP 32 Cb -0.17 -0.76 -0.17 0.00 -1.46 0.00 0.00 42.92 40.35 3i8o s ASP 32 CO 0.21 -1.04 1.28 0.00 0.52 0.00 0.00 175.17 176.14 3i8o h THR 33 N 0.24 1.28 -0.80 1.71 1.03 -1.95 -2.96 112.91 111.46 3i8o h THR 33 Ca -0.41 -1.99 0.17 0.00 -0.01 0.00 0.00 66.41 64.17 3i8o h THR 33 Cb 1.29 2.05 -0.11 0.00 -1.07 0.00 0.00 68.15 70.31 3i8o h THR 33 CO 0.49 0.63 0.30 0.00 -0.01 0.00 0.00 175.52 176.93 3i8o h VAL 35 N 0.39 0.00 0.49 0.00 -1.51 -1.86 -1.60 116.25 112.16 3i8o h VAL 35 Ca 0.46 -0.59 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 3i8o h VAL 35 Cb 0.78 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3i8o h VAL 35 CO -0.47 0.00 -0.24 0.58 -1.23 0.00 0.00 177.57 176.21 3i8o h VAL 36 N 0.00 0.40 0.25 7.19 2.07 -1.25 -3.00 116.25 121.91 3i8o h VAL 36 Ca 0.00 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3i8o h VAL 36 Cb 0.79 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3i8o h VAL 36 CO 0.00 0.06 -0.37 0.40 0.02 0.00 0.00 177.57 177.68 3i8o h ILE 37 N -0.95 0.00 -0.97 4.57 2.04 -1.49 -2.82 117.51 117.90 3i8o h ILE 37 Ca -0.07 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.07 3i8o h ILE 37 Cb 0.60 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3i8o h ILE 37 CO 0.11 0.00 1.08 0.47 0.00 0.00 0.00 178.15 179.81 3i8o n ASP 38 N -4.57 0.00 0.00 1.72 8.00 -0.61 -4.70 116.55 116.39 3i8o n ASP 38 Ca -0.08 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.10 3i8o n ASP 38 Cb 0.31 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3i8o n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8o n GLY 39 N -1.61 0.48 0.12 0.44 0.00 -1.06 -4.97 105.19 98.59 3i8o n GLY 39 Ca 0.22 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 3i8o n GLY 39 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i8o h ARG 40 N 0.68 0.30 0.74 1.61 3.08 -1.75 -1.48 114.38 117.57 3i8o h ARG 40 Ca 0.00 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 3i8o h ARG 40 Cb 0.00 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3i8o h ARG 40 CO 0.00 0.98 -0.45 0.82 -1.07 0.00 0.00 179.97 180.25 3i8o h ILE 41 N -0.26 0.00 -0.84 2.04 1.08 -1.84 0.32 117.51 118.00 3i8o h ILE 41 Ca -0.04 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.59 3i8o h ILE 41 Cb 1.10 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.79 3i8o h ILE 41 CO 0.08 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.09 3i8o h THR 42 N -1.11 0.77 0.01 -0.27 1.03 -1.85 -0.72 112.91 110.77 3i8o h THR 42 Ca -0.10 -0.17 -0.00 0.00 -0.01 0.00 0.00 66.41 66.13 3i8o h THR 42 Cb 0.89 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 3i8o h THR 42 CO 0.11 0.09 -0.01 -0.08 -0.01 0.00 0.00 175.52 175.62 3i8o h GLU 43 N 0.50 -0.01 -0.66 0.00 4.81 -0.65 -2.61 114.58 115.96 3i8o h GLU 43 Ca 0.43 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.79 3i8o h GLU 43 Cb 0.91 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.20 3i8o h GLU 43 CO -0.17 0.09 0.11 -0.07 -0.73 0.00 0.00 179.01 178.24 3i8o h LEU 44 N -0.11 -0.08 -1.21 1.64 3.38 0.10 -0.58 115.31 118.45 3i8o h LEU 44 Ca -0.00 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3i8o h LEU 44 Cb 0.11 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 3i8o h LEU 44 CO 0.00 -0.05 0.59 0.40 0.09 0.00 0.00 178.44 179.48 3i8o h ILE 45 N 0.22 0.83 0.00 1.22 2.04 -0.98 -0.55 117.51 120.30 3i8o h ILE 45 Ca 0.35 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 3i8o h ILE 45 Cb 0.57 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3i8o h ILE 45 CO -0.48 0.14 -0.56 -0.33 0.00 0.00 0.00 178.15 176.92 3i8o h GLU 46 N 0.75 0.00 -0.07 2.37 5.08 -0.75 -1.88 114.58 120.08 3i8o h GLU 46 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3i8o h GLU 46 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3i8o h GLU 46 CO -0.23 0.56 0.00 0.54 -1.00 0.00 0.00 179.01 178.88 3i8o n ARG 47 N -3.35 1.17 -3.65 2.33 1.74 -0.90 -4.88 116.66 109.12 3i8o n ARG 47 Ca 0.01 -0.27 -0.25 0.00 -0.77 0.00 0.00 57.85 56.57 3i8o n ARG 47 Cb 0.70 -1.06 0.07 0.00 -1.02 0.00 0.00 32.46 31.15 3i8o n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8o n GLY 48 N 0.62 -0.53 0.73 -0.13 0.00 -0.71 -4.90 105.19 100.28 3i8o n GLY 48 Ca 0.03 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3i8o n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8o n LYS 49 N -4.90 1.98 -2.72 1.61 3.00 -0.26 -4.17 118.16 112.69 3i8o n LYS 49 Ca -0.00 -1.45 -0.10 0.00 -0.00 0.00 0.00 58.31 56.75 3i8o n LYS 49 Cb 0.56 -1.45 0.03 0.00 0.00 0.00 0.00 35.03 34.16 3i8o n LYS 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3i8o n LEU 50 N 0.71 1.31 0.22 3.14 4.77 -1.26 -4.95 117.00 120.93 3i8o n LEU 50 Ca 0.17 -3.85 -0.16 0.00 -0.03 0.00 0.00 56.01 52.14 3i8o n LEU 50 Cb 0.44 0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.91 3i8o n LEU 50 CO 0.15 1.65 0.59 0.50 -1.33 0.00 0.00 177.39 178.94 3i8o h LYS 51 N 2.98 -0.77 -0.39 3.23 1.63 -1.93 -3.13 116.57 118.19 3i8o h LYS 51 Ca -0.08 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 3i8o h LYS 51 Cb 1.16 0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.93 3i8o h LYS 51 CO 0.49 -0.52 0.04 -0.25 -3.45 0.00 0.00 179.45 175.76 3i8o n ASP 52 N -5.50 4.01 -4.91 4.20 8.00 -1.26 -4.76 116.55 116.33 3i8o n ASP 52 Ca -0.10 -3.17 -0.27 0.00 0.71 0.00 0.00 54.79 51.97 3i8o n ASP 52 Cb 0.40 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 40.90 3i8o n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8o s ALA 53 N -2.92 3.41 -0.05 2.24 0.00 -1.18 -4.46 121.76 118.79 3i8o s ALA 53 Ca 0.46 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3i8o s ALA 53 Cb 0.38 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 3i8o s ALA 53 CO 0.09 -0.44 -0.16 0.95 0.00 0.00 0.00 175.76 176.20 3i8o s THR 54 N -2.77 2.92 -0.23 0.00 -4.23 -0.97 -3.96 115.64 106.40 3i8o s THR 54 Ca 0.49 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 60.16 3i8o s THR 54 Cb -0.10 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3i8o s THR 54 CO 0.44 0.59 0.04 -0.63 -0.54 0.00 0.00 174.62 174.52 3i8o s ILE 55 N -0.65 4.09 -0.30 2.99 1.01 -0.52 -1.90 121.20 125.92 3i8o s ILE 55 Ca 0.10 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3i8o s ILE 55 Cb -0.11 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 3i8o s ILE 55 CO 0.01 0.37 0.57 -0.63 0.00 0.00 0.00 174.94 175.26 3i8o s ILE 56 N 1.46 4.99 -0.32 2.92 -1.09 0.39 -0.96 121.20 128.58 3i8o s ILE 56 Ca 0.05 0.76 -0.16 0.00 -2.23 0.00 0.00 60.65 59.07 3i8o s ILE 56 Cb -0.15 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3i8o s ILE 56 CO 0.02 -0.09 0.40 -0.63 -1.23 0.00 0.00 174.94 173.41 3i8o s ILE 57 N 2.48 5.13 0.28 2.92 1.09 0.15 -2.29 121.20 130.97 3i8o s ILE 57 Ca 0.23 0.28 -0.29 0.00 -1.10 0.00 0.00 60.65 59.77 3i8o s ILE 57 Cb -0.15 -3.82 -0.10 0.00 -1.06 0.00 0.00 42.46 37.33 3i8o s ILE 57 CO 0.11 -0.04 1.33 -2.84 -0.10 0.00 0.00 174.94 173.40 3i8o s PRO 58 N 2.13 4.35 0.21 2.79 0.02 -1.26 -1.54 135.00 141.70 3i8o s PRO 58 Ca 0.14 2.19 -0.09 0.00 0.02 0.00 0.00 61.00 63.27 3i8o s PRO 58 Cb -0.16 -3.11 0.17 0.00 0.02 0.00 0.00 34.50 31.42 3i8o s PRO 58 CO 0.11 -0.24 1.85 0.93 -0.33 0.00 0.00 177.00 179.32 3i8o h GLU 59 N 4.18 1.10 -1.08 5.54 4.39 -0.55 -1.28 114.58 126.88 3i8o h GLU 59 Ca -0.47 -0.11 0.29 0.00 0.34 0.00 0.00 59.36 59.41 3i8o h GLU 59 Cb 1.22 -0.23 -0.10 0.00 -0.10 0.00 0.00 28.75 29.54 3i8o h GLU 59 CO 0.71 0.78 0.69 0.00 -1.16 0.00 0.00 179.01 180.04 3i8o h ALA 60 N 1.25 2.30 0.28 3.43 0.00 -1.80 -0.88 119.26 123.84 3i8o h ALA 60 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3i8o h ALA 60 Cb -0.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i8o h ALA 60 CO -0.05 -0.75 -0.13 0.28 0.00 0.00 0.00 179.25 178.60 3i8o h VAL 61 N 0.34 0.72 -0.85 0.00 2.07 -1.61 -2.92 116.25 114.02 3i8o h VAL 61 Ca 0.64 -0.68 0.22 0.00 0.82 0.00 0.00 66.70 67.69 3i8o h VAL 61 Cb 1.68 1.07 -0.14 0.00 -1.52 0.00 0.00 31.29 32.38 3i8o h VAL 61 CO -0.33 0.13 0.13 0.58 0.02 0.00 0.00 177.57 178.10 3i8o h VAL 62 N -0.77 0.29 -0.36 2.57 2.07 -1.13 -1.18 116.25 117.74 3i8o h VAL 62 Ca -0.04 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3i8o h VAL 62 Cb 0.50 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3i8o h VAL 62 CO 0.06 0.03 -0.03 0.28 0.02 0.00 0.00 177.57 177.93 3i8o h SER 63 N 0.15 -0.20 -0.71 0.57 0.02 -1.07 -2.38 113.55 109.92 3i8o h SER 63 Ca 0.51 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.51 3i8o h SER 63 Cb 0.98 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 3i8o h SER 63 CO -0.69 -0.06 0.31 -0.33 -1.14 0.00 0.00 176.83 174.92 3i8o h GLU 64 N 0.07 1.05 -0.45 3.45 5.08 -1.04 -0.30 114.58 122.43 3i8o h GLU 64 Ca 0.18 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3i8o h GLU 64 Cb 0.25 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3i8o h GLU 64 CO -0.32 0.85 0.05 -0.07 -1.00 0.00 0.00 179.01 178.52 3i8o h LEU 65 N 1.01 0.66 -0.08 1.33 3.38 -1.17 -2.31 115.31 118.13 3i8o h LEU 65 Ca 0.24 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 3i8o h LEU 65 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i8o h LEU 65 CO -0.02 0.69 -1.02 -0.33 0.09 0.00 0.00 178.44 177.85 3i8o h GLU 66 N 0.67 0.17 -0.23 1.13 5.08 -1.21 -3.08 114.58 117.10 3i8o h GLU 66 Ca 0.14 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3i8o h GLU 66 Cb 0.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3i8o h GLU 66 CO 0.01 1.05 -0.10 -0.92 -1.00 0.00 0.00 179.01 178.04 3i8o h TYR 67 N 0.07 0.39 0.00 4.33 3.20 -0.75 -3.07 116.97 121.14 3i8o h TYR 67 Ca -0.06 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 3i8o h TYR 67 Cb 1.72 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.86 3i8o h TYR 67 CO 0.03 0.47 -1.29 1.04 -1.64 0.00 0.00 178.16 176.78 3i8o n GLN 68 N -4.25 0.62 -0.07 1.82 1.13 -0.90 -4.30 117.38 111.43 3i8o n GLN 68 Ca 0.00 0.17 -0.13 0.00 -1.94 0.00 0.00 57.00 55.10 3i8o n GLN 68 Cb 0.28 -1.80 -0.06 0.00 0.11 0.00 0.00 30.24 28.77 3i8o n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8o h ALA 69 N 1.65 0.28 0.00 -1.58 0.00 -1.44 -3.06 119.26 115.10 3i8o h ALA 69 Ca -0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3i8o h ALA 69 Cb 1.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3i8o h ALA 69 CO 0.03 0.20 0.26 0.27 0.00 0.00 0.00 179.25 180.01 3i8o n ASN 70 N -4.46 1.62 0.00 0.00 6.94 -1.22 -3.98 115.26 114.15 3i8o n ASN 70 Ca -0.05 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 3i8o n ASN 70 Cb 0.40 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3i8o n ASN 70 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i8o n GLY 72 N 2.87 0.56 3.75 4.83 0.00 -1.25 -5.18 105.19 110.76 3i8o n GLY 72 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3i8o n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8o s ARG 73 N 0.00 4.46 0.26 1.61 0.52 -1.16 -4.92 118.95 119.72 3i8o s ARG 73 Ca 0.00 1.98 -0.01 0.00 -0.52 0.00 0.00 55.73 57.17 3i8o s ARG 73 Cb 0.00 -3.19 0.52 0.00 0.52 0.00 0.00 34.95 32.80 3i8o s ARG 73 CO 0.00 -0.11 1.78 0.93 0.02 0.00 0.00 175.30 177.91 3i8o h GLU 74 N 4.80 0.66 -0.89 3.54 4.39 -1.93 -2.23 114.58 122.92 3i8o h GLU 74 Ca -0.46 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.38 3i8o h GLU 74 Cb 1.22 -0.15 -0.17 0.00 -0.10 0.00 0.00 28.75 29.55 3i8o h GLU 74 CO 0.73 0.44 -0.25 0.82 -1.16 0.00 0.00 179.01 179.59 3i8o h ILE 75 N 0.68 0.10 -0.07 3.13 2.04 -1.91 0.45 117.51 121.92 3i8o h ILE 75 Ca 0.46 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.30 3i8o h ILE 75 Cb 0.60 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3i8o h ILE 75 CO -0.34 0.00 -0.02 1.23 0.00 0.00 0.00 178.15 179.03 3i8o h GLY 76 N -0.01 0.15 0.49 5.37 0.00 -1.53 -1.84 103.07 105.69 3i8o h GLY 76 Ca 0.41 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.63 3i8o h GLY 76 CO -0.92 0.11 -0.32 0.10 0.00 0.00 0.00 176.54 175.51 3i8o h TYR 77 N -0.20 -0.88 -0.58 5.60 -0.00 -0.81 -1.07 116.97 119.03 3i8o h TYR 77 Ca 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.74 3i8o h TYR 77 Cb 0.42 0.37 -0.03 0.00 -0.00 0.00 0.00 36.73 37.48 3i8o h TYR 77 CO 0.05 -0.44 0.28 -0.22 -0.00 0.00 0.00 178.16 177.83 3i8o h LYS 78 N -0.58 0.83 -0.47 0.10 3.64 -0.29 -2.36 116.57 117.44 3i8o h LYS 78 Ca 0.02 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3i8o h LYS 78 Cb 0.59 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3i8o h LYS 78 CO -0.16 0.68 0.21 0.78 -2.27 0.00 0.00 179.45 178.68 3i8o h GLY 79 N 0.78 0.74 2.00 5.01 0.00 -1.14 -0.07 103.07 110.40 3i8o h GLY 79 Ca 0.20 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3i8o h GLY 79 CO -0.02 0.37 -0.37 -2.22 0.00 0.00 0.00 176.54 174.29 3i8o h ILE 80 N 0.62 0.94 0.03 2.60 2.04 -1.12 0.76 117.51 123.37 3i8o h ILE 80 Ca 0.16 -1.47 -0.22 0.00 1.00 0.00 0.00 64.86 64.33 3i8o h ILE 80 Cb 0.16 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3i8o h ILE 80 CO -0.02 0.37 -0.97 -0.08 0.00 0.00 0.00 178.15 177.45 3i8o h GLU 81 N 0.00 0.26 -0.02 2.37 4.81 -1.03 -2.06 114.58 118.91 3i8o h GLU 81 Ca -0.00 -0.31 -0.20 0.00 -0.13 0.00 0.00 59.36 58.72 3i8o h GLU 81 Cb 0.85 0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.34 3i8o h GLU 81 CO 0.05 1.05 -0.77 1.49 -0.73 0.00 0.00 179.01 180.09 3i8o h GLU 82 N 0.13 0.55 -0.87 1.92 4.57 -0.52 -0.11 114.58 120.25 3i8o h GLU 82 Ca -0.07 -0.57 0.08 0.00 -1.18 0.00 0.00 59.36 57.62 3i8o h GLU 82 Cb 1.62 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 30.31 3i8o h GLU 82 CO 0.15 1.20 0.57 1.25 -1.18 0.00 0.00 179.01 181.00 3i8o h LEU 83 N 0.13 0.82 -0.07 1.64 5.85 0.49 2.15 115.31 126.31 3i8o h LEU 83 Ca -0.09 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.40 3i8o h LEU 83 Cb 1.45 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.33 3i8o h LEU 83 CO 0.15 0.50 -1.05 -0.09 -0.34 0.00 0.00 178.44 177.62 3i8o h ARG 84 N 0.91 0.41 -0.14 1.25 2.43 -1.38 -1.52 114.38 116.35 3i8o h ARG 84 Ca 0.39 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3i8o h ARG 84 Cb 0.32 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3i8o h ARG 84 CO -0.16 1.17 0.01 -0.22 -1.51 0.00 0.00 179.97 179.26 3i8o h LYS 85 N 0.21 0.24 -0.51 0.20 3.64 0.13 -0.55 116.57 119.93 3i8o h LYS 85 Ca -0.11 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3i8o h LYS 85 Cb 1.71 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.40 3i8o h LYS 85 CO 0.18 0.45 -0.44 1.25 -2.27 0.00 0.00 179.45 178.62 3i8o h LEU 86 N -0.01 -1.49 -0.64 5.20 5.85 0.35 -1.01 115.31 123.56 3i8o h LEU 86 Ca 0.04 0.24 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3i8o h LEU 86 Cb 0.34 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3i8o h LEU 86 CO 0.01 -0.35 0.40 0.40 -0.34 0.00 0.00 178.44 178.56 3i8o h ILE 87 N -0.27 1.09 -0.24 4.05 2.04 -1.17 -1.95 117.51 121.07 3i8o h ILE 87 Ca 0.16 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3i8o h ILE 87 Cb 0.57 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3i8o h ILE 87 CO -0.64 0.14 0.03 -0.08 0.00 0.00 0.00 178.15 177.60 3i8o h GLU 88 N 0.79 0.12 -0.02 2.37 4.81 -0.17 -2.43 114.58 120.05 3i8o h GLU 88 Ca 0.25 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 3i8o h GLU 88 Cb 0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3i8o h GLU 88 CO -0.10 0.08 -0.72 0.87 -0.73 0.00 0.00 179.01 178.41 3i8o h LYS 89 N 0.12 0.12 -0.67 1.92 1.57 -0.94 0.47 116.57 119.16 3i8o h LYS 89 Ca 0.11 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3i8o h LYS 89 Cb 0.12 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3i8o h LYS 89 CO -0.16 0.79 0.32 0.00 -0.57 0.00 0.00 179.45 179.83 3i8o h ALA 90 N 1.18 0.86 0.17 3.86 0.00 -1.23 0.43 119.26 124.53 3i8o h ALA 90 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3i8o h ALA 90 Cb 1.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i8o h ALA 90 CO 0.10 0.42 -0.08 1.03 0.00 0.00 0.00 179.25 180.72 3i8o h SER 91 N 0.93 -0.20 -0.56 0.00 0.87 -1.20 0.42 113.55 113.81 3i8o h SER 91 Ca 0.23 -0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.77 3i8o h SER 91 Cb 0.12 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3i8o h SER 91 CO -0.03 0.07 0.47 -0.08 -0.53 0.00 0.00 176.83 176.73 3i8o h GLU 92 N -0.48 0.00 -0.48 2.24 4.81 -0.63 0.89 114.58 120.93 3i8o h GLU 92 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i8o h GLU 92 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3i8o h GLU 92 CO 0.04 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.04 3i8o n HIS 93 N -4.05 1.10 -4.10 0.92 8.25 0.15 -4.97 115.22 112.51 3i8o n HIS 93 Ca 0.11 -0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 56.63 3i8o n HIS 93 Cb 0.69 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.51 3i8o n HIS 93 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i8o n ASN 94 N 0.59 0.47 -4.38 0.41 3.02 0.31 -4.94 115.26 110.73 3i8o n ASN 94 Ca 0.21 -1.12 -0.37 0.00 -0.03 0.00 0.00 54.58 53.27 3i8o n ASN 94 Cb 0.77 -1.39 -0.12 0.00 -0.61 0.00 0.00 39.78 38.43 3i8o n ASN 94 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i8o s ILE 95 N -4.03 4.18 0.42 2.41 1.01 0.13 -5.00 121.20 120.32 3i8o s ILE 95 Ca 0.11 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 3i8o s ILE 95 Cb -0.07 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 39.20 3i8o s ILE 95 CO 0.88 0.12 1.25 -1.59 0.00 0.00 0.00 174.94 175.60 3i8o s LYS 96 N 1.55 3.93 -0.05 2.79 -2.85 -1.25 -4.36 119.74 119.50 3i8o s LYS 96 Ca 0.04 2.02 0.05 0.00 -1.00 0.00 0.00 55.97 57.09 3i8o s LYS 96 Cb -0.17 -2.68 -0.01 0.00 -2.06 0.00 0.00 37.83 32.92 3i8o s LYS 96 CO 0.04 -0.48 -0.22 0.14 0.10 0.00 0.00 175.35 174.93 3i8o s VAL 97 N -1.33 1.80 0.04 1.79 -7.23 -1.26 -1.43 120.40 112.77 3i8o s VAL 97 Ca 0.58 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.91 3i8o s VAL 97 Cb -0.35 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 3i8o s VAL 97 CO 0.44 0.51 -0.23 -1.61 -0.31 0.00 0.00 175.10 173.89 3i8o s GLU 98 N -0.12 1.93 0.01 4.82 2.02 -0.14 -4.95 118.70 122.26 3i8o s GLU 98 Ca -0.03 -1.05 -0.02 0.00 0.02 0.00 0.00 54.97 53.90 3i8o s GLU 98 Cb -0.12 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 3i8o s GLU 98 CO 0.03 0.53 0.18 0.71 0.02 0.00 0.00 175.26 176.72 3i8o s TYR 99 N -0.83 3.52 -0.15 1.61 2.02 -1.26 -0.68 117.35 121.59 3i8o s TYR 99 Ca 0.12 0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 57.03 3i8o s TYR 99 Cb -0.10 -1.81 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3i8o s TYR 99 CO 0.03 0.63 0.38 -0.47 -1.57 0.00 0.00 175.55 174.55 3i8o s TYR 100 N -1.35 -0.47 0.00 2.71 5.04 -0.59 -4.92 117.35 117.77 3i8o s TYR 100 Ca 0.28 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3i8o s TYR 100 Cb -0.13 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.36 3i8o s TYR 100 CO 0.20 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.57 3i8o n GLY 101 N 3.42 1.81 3.76 8.97 0.00 -1.26 0.13 105.19 122.01 3i8o n GLY 101 Ca -0.17 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 3i8o n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8o s GLU 102 N -1.55 3.30 -0.39 1.61 2.12 -1.26 -4.66 118.70 117.88 3i8o s GLU 102 Ca 0.00 1.94 -0.00 0.00 0.36 0.00 0.00 54.97 57.27 3i8o s GLU 102 Cb 0.00 -2.20 0.11 0.00 0.26 0.00 0.00 34.13 32.29 3i8o s GLU 102 CO 0.00 -0.97 0.15 0.50 -0.54 0.00 0.00 175.26 174.40 3i8o s ARG 103 N -2.97 1.81 0.52 4.30 3.52 -1.26 -3.29 118.95 121.58 3i8o s ARG 103 Ca 0.71 -1.86 -0.22 0.00 -0.13 0.00 0.00 55.73 54.23 3i8o s ARG 103 Cb -0.33 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.56 3i8o s ARG 103 CO 0.38 -1.03 1.28 -2.14 -0.81 0.00 0.00 175.30 172.98 3i8o s PRO 104 N 1.03 3.35 0.52 5.12 0.02 -1.26 -5.02 135.00 138.75 3i8o s PRO 104 Ca 0.09 2.03 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 3i8o s PRO 104 Cb -0.21 -2.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 3i8o s PRO 104 CO -0.06 -0.96 0.86 -0.08 -0.33 0.00 0.00 177.00 176.44 3i8o s THR 105 N -1.41 4.83 0.57 0.99 -1.32 -1.26 -4.88 115.64 113.15 3i8o s THR 105 Ca 0.69 0.48 0.28 0.00 -1.21 0.00 0.00 61.69 61.92 3i8o s THR 105 Cb -0.35 -3.85 0.38 0.00 -1.51 0.00 0.00 72.50 67.17 3i8o s THR 105 CO 0.42 -0.90 1.99 0.03 -2.21 0.00 0.00 174.62 173.95 3i8o h ARG 106 N 0.18 0.00 -0.15 7.08 3.08 -1.95 0.10 114.38 122.73 3i8o h ARG 106 Ca -0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 3i8o h ARG 106 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3i8o h ARG 106 CO 0.62 0.00 -0.18 1.49 -1.07 0.00 0.00 179.97 180.83 3i8o h GLU 107 N 0.00 0.38 -0.43 0.04 4.57 -2.01 -3.14 114.58 114.00 3i8o h GLU 107 Ca 0.18 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3i8o h GLU 107 Cb 0.91 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3i8o h GLU 107 CO -0.00 0.78 0.18 0.93 -1.18 0.00 0.00 179.01 179.72 3i8o h GLU 108 N 0.01 0.60 -0.00 1.92 5.08 -1.16 -2.40 114.58 118.62 3i8o h GLU 108 Ca 0.02 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 3i8o h GLU 108 Cb 0.72 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.87 3i8o h GLU 108 CO 0.04 0.49 -0.81 0.97 -1.00 0.00 0.00 179.01 178.71 3i8o h ILE 109 N 0.60 1.36 -0.40 3.13 2.10 -1.57 -2.19 117.51 120.53 3i8o h ILE 109 Ca 0.15 -2.15 0.07 0.00 1.08 0.00 0.00 64.86 64.01 3i8o h ILE 109 Cb 0.11 2.49 -0.06 0.00 -1.09 0.00 0.00 36.82 38.26 3i8o h ILE 109 CO -0.02 0.65 0.01 0.15 -1.08 0.00 0.00 178.15 177.86 3i8o h PHE 110 N 0.14 0.00 0.00 2.19 3.57 -1.48 -1.23 116.94 120.14 3i8o h PHE 110 Ca -0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3i8o h PHE 110 Cb 1.49 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.29 3i8o h PHE 110 CO 0.13 -0.06 0.00 -0.07 -2.23 0.00 0.00 178.31 176.07 3i8o h LEU 111 N 0.12 0.00 -9.23 0.59 -0.00 -1.42 -3.44 115.31 101.93 3i8o h LEU 111 Ca 0.20 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.53 3i8o h LEU 111 Cb 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 3i8o h LEU 111 CO -0.32 0.00 1.04 0.00 -0.00 0.00 0.00 178.44 179.16 3i8o s ALA 112 N -3.59 3.62 -0.26 1.53 0.00 -0.47 -4.98 121.76 117.61 3i8o s ALA 112 Ca 0.01 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 3i8o s ALA 112 Cb 0.09 -3.72 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3i8o s ALA 112 CO 0.42 -1.35 0.83 0.15 0.00 0.00 0.00 175.76 175.80 3i8o s LYS 113 N 3.92 4.12 0.36 0.00 -0.14 -1.26 -4.97 119.74 121.76 3i8o s LYS 113 Ca 0.69 0.85 -0.08 0.00 -1.36 0.00 0.00 55.97 56.07 3i8o s LYS 113 Cb -0.30 -3.67 -0.07 0.00 -1.68 0.00 0.00 37.83 32.11 3i8o s LYS 113 CO 0.26 -0.58 -0.24 0.45 -0.76 0.00 0.00 175.35 174.47 3i8o n SER 114 N 6.11 -2.27 0.00 2.83 2.88 -1.26 -3.88 113.62 118.03 3i8o n SER 114 Ca 0.05 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3i8o n SER 114 Cb 0.48 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 3i8o n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i8o n GLY 115 N 1.37 1.84 0.12 0.46 0.00 -1.26 -4.92 105.19 102.81 3i8o n GLY 115 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3i8o n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8o n GLU 116 N -2.00 0.62 -0.21 1.61 1.02 -1.25 -2.28 120.64 118.15 3i8o n GLU 116 Ca 0.00 0.41 -0.06 0.00 -0.02 0.00 0.00 57.16 57.49 3i8o n GLU 116 Cb 0.00 -1.67 0.04 0.00 -0.02 0.00 0.00 31.44 29.78 3i8o n GLU 116 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i8o h ILE 117 N -0.67 1.18 0.00 -3.67 5.03 -1.91 -1.26 117.51 116.21 3i8o h ILE 117 Ca -0.45 -0.40 -0.05 0.00 -0.12 0.00 0.00 64.86 63.84 3i8o h ILE 117 Cb 1.58 0.35 -0.01 0.00 -3.03 0.00 0.00 36.82 35.72 3i8o h ILE 117 CO -0.17 0.18 -0.23 0.44 -0.68 0.00 0.00 178.15 177.69 3i8o h ASP 118 N 0.82 0.00 0.00 1.72 5.19 -1.98 -2.15 116.42 120.02 3i8o h ASP 118 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3i8o h ASP 118 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3i8o h ASP 118 CO -0.04 0.23 0.00 0.00 -3.12 0.00 0.00 179.24 176.31 3i8o n ALA 119 N -2.42 2.12 0.00 3.45 0.00 -0.48 -1.64 120.51 121.55 3i8o n ALA 119 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i8o n ALA 119 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3i8o n ALA 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i8o n ILE 121 N 0.55 0.00 -0.13 0.00 5.41 -0.81 -2.10 119.36 122.28 3i8o n ILE 121 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3i8o n ILE 121 Cb 0.29 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.25 3i8o n ILE 121 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3i8o h ARG 122 N 0.00 0.08 -1.00 0.38 3.08 -1.59 -2.08 114.38 113.24 3i8o h ARG 122 Ca 0.00 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3i8o h ARG 122 Cb 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3i8o h ARG 122 CO 0.00 0.05 0.65 -0.22 -1.07 0.00 0.00 179.97 179.38 3i8o h LYS 123 N 0.08 1.20 -0.57 0.04 3.64 -1.69 -0.41 116.57 118.86 3i8o h LYS 123 Ca 0.21 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3i8o h LYS 123 Cb 0.30 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3i8o h LYS 123 CO -0.36 0.79 0.36 0.28 -2.27 0.00 0.00 179.45 178.25 3i8o h VAL 124 N 1.23 1.09 -0.60 2.00 2.07 -1.73 -0.09 116.25 120.22 3i8o h VAL 124 Ca 0.41 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 3i8o h VAL 124 Cb 0.06 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3i8o h VAL 124 CO -0.14 0.13 0.08 0.00 0.02 0.00 0.00 177.57 177.66 3i8o h ALA 125 N 1.24 1.00 -0.09 1.67 0.00 -0.62 -1.18 119.26 121.29 3i8o h ALA 125 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i8o h ALA 125 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3i8o h ALA 125 CO -0.08 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.61 3i8o h LYS 126 N 0.93 0.13 -0.38 0.00 3.64 -0.78 -1.31 116.57 118.80 3i8o h LYS 126 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3i8o h LYS 126 Cb 0.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3i8o h LYS 126 CO 0.01 0.25 0.13 0.93 -2.27 0.00 0.00 179.45 178.51 3i8o h GLU 127 N -0.01 0.58 -0.02 1.90 5.08 -0.90 -2.39 114.58 118.83 3i8o h GLU 127 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i8o h GLU 127 Cb 0.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i8o h GLU 127 CO -0.00 0.58 0.00 0.25 -1.00 0.00 0.00 179.01 178.83 3i8o n THR 128 N -4.64 0.02 -3.62 1.13 -2.24 -0.46 -4.92 114.28 99.55 3i8o n THR 128 Ca -0.01 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 3i8o n THR 128 Cb 0.16 -0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.29 3i8o n THR 128 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i8o n ASN 129 N -0.60 -4.40 -4.58 3.42 3.02 -0.60 -4.99 115.26 106.53 3i8o n ASN 129 Ca 0.21 -0.63 -0.25 0.00 -0.03 0.00 0.00 54.58 53.88 3i8o n ASN 129 Cb 0.17 -4.76 -0.09 0.00 -0.61 0.00 0.00 39.78 34.49 3i8o n ASN 129 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i8o s SER 130 N -3.71 4.00 -0.41 6.41 1.04 -0.60 -4.88 113.70 115.55 3i8o s SER 130 Ca 0.38 -1.02 -0.24 0.00 0.48 0.00 0.00 55.95 55.55 3i8o s SER 130 Cb -0.17 -0.47 0.02 0.00 0.10 0.00 0.00 66.02 65.49 3i8o s SER 130 CO 0.76 -0.16 0.86 -0.63 0.98 0.00 0.00 173.24 175.04 3i8o s ILE 131 N -2.52 4.60 0.01 -1.02 1.01 0.42 -4.48 121.20 119.21 3i8o s ILE 131 Ca 0.33 0.82 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 3i8o s ILE 131 Cb -0.01 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3i8o s ILE 131 CO 0.18 -0.64 1.71 -0.22 0.00 0.00 0.00 174.94 175.97 3i8o s LEU 132 N 3.43 4.36 -0.34 2.97 2.96 -0.67 -0.71 118.68 130.67 3i8o s LEU 132 Ca 0.34 2.40 -0.16 0.00 -0.22 0.00 0.00 54.13 56.50 3i8o s LEU 132 Cb -0.12 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 3i8o s LEU 132 CO 0.21 -0.93 0.39 -0.76 -1.32 0.00 0.00 176.35 173.94 3i8o s LEU 133 N 3.60 4.43 0.04 -0.68 1.02 0.04 -1.06 118.68 126.08 3i8o s LEU 133 Ca 0.76 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.71 3i8o s LEU 133 Cb -0.37 -2.39 -0.03 0.00 0.02 0.00 0.00 46.19 43.42 3i8o s LEU 133 CO 0.33 -0.37 -0.04 0.28 0.02 0.00 0.00 176.35 176.56 3i8o s THR 134 N 2.09 0.29 -0.22 5.49 -1.32 -1.09 -1.62 115.64 119.25 3i8o s THR 134 Ca 0.13 -1.41 0.13 0.00 -1.21 0.00 0.00 61.69 59.34 3i8o s THR 134 Cb -0.16 -0.97 0.49 0.00 -1.51 0.00 0.00 72.50 70.35 3i8o s THR 134 CO 0.12 -0.72 1.41 -1.54 -2.21 0.00 0.00 174.62 171.68 3i8o n SER 135 N 0.81 3.06 -4.23 8.08 3.41 -1.26 -1.30 113.62 122.18 3i8o n SER 135 Ca -0.19 -3.37 -0.36 0.00 -0.26 0.00 0.00 58.87 54.70 3i8o n SER 135 Cb 0.58 -0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3i8o n SER 135 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i8o s ASP 136 N -2.33 4.79 0.21 4.04 3.68 -1.26 -4.90 116.67 120.91 3i8o s ASP 136 Ca 0.42 -0.99 -0.09 0.00 2.13 0.00 0.00 52.55 54.02 3i8o s ASP 136 Cb 0.36 -1.75 0.22 0.00 -1.45 0.00 0.00 42.92 40.30 3i8o s ASP 136 CO 0.04 -0.21 1.84 -0.25 0.13 0.00 0.00 175.17 176.72 3i8o h TRP 137 N 8.08 0.82 -0.23 -5.34 2.91 -1.97 0.47 115.95 120.70 3i8o h TRP 137 Ca -0.28 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.76 3i8o h TRP 137 Cb 1.09 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.47 3i8o h TRP 137 CO 0.60 0.45 0.11 0.82 -1.03 0.00 0.00 178.44 179.39 3i8o h ILE 138 N 0.84 1.14 -0.38 2.65 2.04 -1.99 -1.04 117.51 120.77 3i8o h ILE 138 Ca 0.30 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3i8o h ILE 138 Cb 0.07 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3i8o h ILE 138 CO -0.13 0.14 0.20 -0.61 0.00 0.00 0.00 178.15 177.75 3i8o h GLN 139 N 0.24 0.53 -0.88 2.37 5.75 -1.80 0.10 115.11 121.42 3i8o h GLN 139 Ca 0.08 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 3i8o h GLN 139 Cb 0.12 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 3i8o h GLN 139 CO -0.01 0.44 0.54 -0.92 -2.65 0.00 0.00 178.83 176.23 3i8o h TYR 140 N 0.48 0.99 0.01 3.99 3.20 -0.75 0.79 116.97 125.69 3i8o h TYR 140 Ca 0.13 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.83 3i8o h TYR 140 Cb 0.06 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3i8o h TYR 140 CO -0.02 0.47 -0.92 -0.91 -1.64 0.00 0.00 178.16 175.14 3i8o h ASN 141 N 0.95 0.09 -0.29 -2.11 2.35 -0.47 -2.25 115.58 113.85 3i8o h ASN 141 Ca 0.40 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3i8o h ASN 141 Cb 0.25 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3i8o h ASN 141 CO -0.20 0.96 0.03 -0.07 -1.65 0.00 0.00 177.43 176.50 3i8o h LEU 142 N 0.03 0.48 -0.05 1.61 4.07 -0.41 -2.02 115.31 119.01 3i8o h LEU 142 Ca -0.03 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.66 3i8o h LEU 142 Cb 1.60 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 43.21 3i8o h LEU 142 CO 0.13 0.63 0.03 0.00 -1.08 0.00 0.00 178.44 178.15 3i8o h ALA 143 N 0.86 0.07 -0.55 1.53 0.00 -0.77 -2.19 119.26 118.21 3i8o h ALA 143 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i8o h ALA 143 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3i8o h ALA 143 CO 0.01 -0.41 0.32 0.87 0.00 0.00 0.00 179.25 180.04 3i8o h LYS 144 N 0.03 0.76 -0.98 0.00 1.57 -1.44 -1.01 116.57 115.50 3i8o h LYS 144 Ca 0.02 -0.08 0.22 0.00 -1.87 0.00 0.00 60.65 58.94 3i8o h LYS 144 Cb 0.04 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.12 3i8o h LYS 144 CO -0.00 0.57 0.63 0.00 -0.57 0.00 0.00 179.45 180.08 3i8o h ALA 145 N 1.15 2.10 -0.64 3.86 0.00 -1.11 -0.97 119.26 123.65 3i8o h ALA 145 Ca 0.20 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 3i8o h ALA 145 Cb 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 3i8o h ALA 145 CO -0.03 -0.45 0.22 0.00 0.00 0.00 0.00 179.25 178.99 3i8o n GLN 146 N -4.61 3.15 -0.87 0.00 10.64 -0.85 -4.92 117.38 119.92 3i8o n GLN 146 Ca 0.22 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.33 3i8o n GLN 146 Cb 0.74 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 3i8o n GLN 146 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i8o n GLY 147 N -0.48 0.69 3.74 2.61 0.00 -0.37 -5.02 105.19 106.37 3i8o n GLY 147 Ca 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 3i8o n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8o s ILE 148 N -2.58 4.90 0.41 -0.61 1.01 -0.43 -5.00 121.20 118.91 3i8o s ILE 148 Ca 0.00 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 61.80 3i8o s ILE 148 Cb 0.00 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 3i8o s ILE 148 CO 0.00 0.35 1.30 -1.61 0.00 0.00 0.00 174.94 174.98 3i8o s GLU 149 N 0.15 3.94 -0.19 2.79 2.02 -1.26 -3.48 118.70 122.67 3i8o s GLU 149 Ca 0.35 2.14 -0.21 0.00 0.02 0.00 0.00 54.97 57.27 3i8o s GLU 149 Cb -0.19 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.37 3i8o s GLU 149 CO 0.19 -0.51 0.58 0.00 0.02 0.00 0.00 175.26 175.54 3i8o s ALA 150 N -1.28 -1.44 0.07 5.21 0.00 -1.26 -1.68 121.76 121.39 3i8o s ALA 150 Ca 0.57 1.55 0.05 0.00 0.00 0.00 0.00 51.96 54.13 3i8o s ALA 150 Cb -0.38 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3i8o s ALA 150 CO 0.48 -0.28 -0.05 0.71 0.00 0.00 0.00 175.76 176.62 3i8o s TYR 151 N 0.09 2.88 -0.14 0.00 2.02 -0.22 -4.95 117.35 117.03 3i8o s TYR 151 Ca -0.02 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3i8o s TYR 151 Cb -0.04 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 3i8o s TYR 151 CO 0.02 0.43 -0.05 0.12 -1.57 0.00 0.00 175.55 174.50 3i8o s PHE 152 N -1.19 2.99 -0.15 2.71 5.36 -1.26 -2.67 117.98 123.77 3i8o s PHE 152 Ca 0.22 -0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 55.85 3i8o s PHE 152 Cb -0.11 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 3i8o s PHE 152 CO 0.14 -0.02 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.30 3i8o s LEU 153 N 0.25 3.05 -0.01 6.12 1.02 -0.42 -4.99 118.68 123.71 3i8o s LEU 153 Ca -0.04 -0.21 -0.06 0.00 0.02 0.00 0.00 54.13 53.84 3i8o s LEU 153 Cb -0.14 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.34 3i8o s LEU 153 CO 0.03 0.15 0.12 -0.70 0.02 0.00 0.00 176.35 175.98 3i8o s GLU 154 N 0.47 0.39 0.16 1.70 2.12 -1.26 -4.40 118.70 117.88 3i8o s GLU 154 Ca -0.05 -0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.11 3i8o s GLU 154 Cb -0.15 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 3i8o s GLU 154 CO 0.03 -0.09 -0.22 0.00 -0.54 0.00 0.00 175.26 174.44 3i8o s ALA 155 N -1.03 2.26 -0.16 6.30 0.00 -1.26 -5.15 121.76 122.72 3i8o s ALA 155 Ca -0.11 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.18 3i8o s ALA 155 Cb -0.06 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.82 3i8o s ALA 155 CO 0.01 0.39 0.45 0.00 0.00 0.00 0.00 175.76 176.60 3i8o s ALA 156 N -1.59 -1.11 -0.11 0.00 0.00 -1.26 -5.13 121.76 112.56 3i8o s ALA 156 Ca 0.16 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3i8o s ALA 156 Cb -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3i8o s ALA 156 CO 0.07 -0.22 -0.04 -2.00 0.00 0.00 0.00 175.76 173.58 3i8o s GLU 157 N 0.10 3.21 -0.09 0.00 2.12 -1.26 -5.10 118.70 117.68 3i8o s GLU 157 Ca -0.01 -0.50 -0.00 0.00 0.36 0.00 0.00 54.97 54.82 3i8o s GLU 157 Cb -0.03 -2.78 0.02 0.00 0.26 0.00 0.00 34.13 31.60 3i8o s GLU 157 CO 0.01 0.49 -0.06 -2.00 -0.54 0.00 0.00 175.26 173.16 3i8o s GLU 158 N -0.32 1.22 -0.28 4.30 2.12 -1.26 -5.10 118.70 119.38 3i8o s GLU 158 Ca 0.05 -0.16 -0.09 0.00 0.36 0.00 0.00 54.97 55.13 3i8o s GLU 158 Cb -0.12 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.93 3i8o s GLU 158 CO 0.02 -0.21 0.14 -1.21 -0.54 0.00 0.00 175.26 173.46 3i8o s GLU 159 N 1.53 3.67 -0.02 4.30 0.41 -1.26 -5.09 118.70 122.23 3i8o s GLU 159 Ca 0.00 -0.49 0.06 0.00 -0.41 0.00 0.00 54.97 54.13 3i8o s GLU 159 Cb -0.13 -3.52 -0.01 0.00 -1.78 0.00 0.00 34.13 28.69 3i8o s GLU 159 CO -0.05 -0.25 -0.19 0.54 -0.49 0.00 0.00 175.26 174.82 3i8o s VAL 160 N 1.67 1.51 -0.16 2.63 0.11 -1.26 -5.12 120.40 119.77 3i8o s VAL 160 Ca 0.06 -0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 3i8o s VAL 160 Cb -0.16 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 3i8o s VAL 160 CO 0.07 0.43 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.58 3i8o s GLU 161 N -0.39 3.49 0.15 1.54 2.02 -1.26 -5.13 118.70 119.11 3i8o s GLU 161 Ca 0.06 -0.61 0.10 0.00 0.02 0.00 0.00 54.97 54.54 3i8o s GLU 161 Cb -0.08 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3i8o s GLU 161 CO -0.00 0.12 -0.21 -0.51 0.02 0.00 0.00 175.26 174.68 3i8o s LEU 162 N 0.64 2.58 -0.18 1.80 1.02 -1.26 -5.11 118.68 118.17 3i8o s LEU 162 Ca -0.04 -0.68 0.01 0.00 0.02 0.00 0.00 54.13 53.43 3i8o s LEU 162 Cb -0.15 -1.39 0.03 0.00 0.02 0.00 0.00 46.19 44.70 3i8o s LEU 162 CO 0.03 0.16 -0.17 -0.69 0.02 0.00 0.00 176.35 175.70 3i8o s VAL 163 N -1.32 1.89 0.12 -1.59 1.01 -1.26 -5.14 120.40 114.11 3i8o s VAL 163 Ca 0.18 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3i8o s VAL 163 Cb -0.10 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3i8o s VAL 163 CO 0.10 0.43 0.22 -0.76 0.00 0.00 0.00 175.10 175.08 3i8o s LEU 164 N 1.34 4.21 0.00 3.92 1.43 -1.26 -5.37 118.68 122.95 3i8o s LEU 164 Ca 0.03 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3i8o s LEU 164 Cb -0.14 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3i8o s LEU 164 CO -0.11 0.10 0.00 -0.90 0.23 0.00 0.00 176.35 175.67