#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipi h ILE 13 N 0.00 1.08 0.00 2.41 2.04 -1.98 -2.13 117.51 118.93 3ipi h ILE 13 Ca 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3ipi h ILE 13 Cb 0.00 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3ipi h ILE 13 CO 0.00 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 177.74 3ipi n GLU 14 N -4.18 0.04 0.01 2.37 1.02 -1.26 -0.76 120.64 117.87 3ipi n GLU 14 Ca -0.02 0.52 0.11 0.00 -0.02 0.00 0.00 57.16 57.75 3ipi n GLU 14 Cb 0.28 -1.61 0.04 0.00 -0.02 0.00 0.00 31.44 30.12 3ipi n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ipi n GLU 15 N -1.69 0.13 -2.33 3.49 1.02 -0.80 -4.71 120.64 115.75 3ipi n GLU 15 Ca -0.00 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 3ipi n GLU 15 Cb 0.02 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 3ipi n GLU 15 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3ipi s TRP 16 N -3.09 3.07 0.31 -0.32 0.51 0.06 -4.93 118.94 114.55 3ipi s TRP 16 Ca 0.07 1.57 -0.00 0.00 -2.12 0.00 0.00 56.10 55.61 3ipi s TRP 16 Cb 0.16 -3.34 0.50 0.00 -0.81 0.00 0.00 33.47 29.97 3ipi s TRP 16 CO 0.80 -1.22 1.94 1.05 -0.51 0.00 0.00 176.95 179.01 3ipi h GLU 17 N 2.51 0.93 -0.77 4.98 4.11 -1.93 -1.95 114.58 122.48 3ipi h GLU 17 Ca -0.49 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 58.85 3ipi h GLU 17 Cb 1.23 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3ipi h GLU 17 CO 0.62 0.67 0.47 0.93 0.07 0.00 0.00 179.01 181.77 3ipi h GLU 18 N 0.95 1.04 -0.27 1.06 3.07 -1.92 -0.95 114.58 117.55 3ipi h GLU 18 Ca 0.24 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3ipi h GLU 18 Cb -0.00 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 3ipi h GLU 18 CO -0.04 0.73 0.10 -0.92 -1.40 0.00 0.00 179.01 177.48 3ipi h TYR 19 N 1.05 0.42 -0.73 4.33 3.20 -1.62 -2.32 116.97 121.29 3ipi h TYR 19 Ca 0.28 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3ipi h TYR 19 Cb -0.05 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 3ipi h TYR 19 CO -0.01 0.43 0.41 0.00 -1.64 0.00 0.00 178.16 177.35 3ipi h ARG 20 N 0.28 1.00 -0.31 1.82 3.08 -1.02 -0.76 114.38 118.48 3ipi h ARG 20 Ca 0.09 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3ipi h ARG 20 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ipi h ARG 20 CO -0.01 0.72 0.01 -0.92 -1.07 0.00 0.00 179.97 178.71 3ipi h TYR 21 N 1.01 0.59 -0.44 3.04 3.20 -1.03 -0.71 116.97 122.62 3ipi h TYR 21 Ca 0.26 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3ipi h TYR 21 Cb 0.01 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3ipi h TYR 21 CO 0.01 0.66 0.22 0.28 -1.64 0.00 0.00 178.16 177.68 3ipi h VAL 22 N 0.34 1.18 -0.99 1.81 2.07 -1.11 -0.76 116.25 118.80 3ipi h VAL 22 Ca 0.09 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3ipi h VAL 22 Cb 0.41 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3ipi h VAL 22 CO 0.01 0.19 0.66 -0.08 0.02 0.00 0.00 177.57 178.37 3ipi h GLU 23 N 0.57 1.29 -0.40 1.57 4.57 -0.98 0.36 114.58 121.55 3ipi h GLU 23 Ca 0.15 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3ipi h GLU 23 Cb 0.11 -0.29 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3ipi h GLU 23 CO -0.02 0.85 0.18 0.00 -1.18 0.00 0.00 179.01 178.84 3ipi h ALA 24 N 1.37 0.52 -0.79 2.92 0.00 -0.72 -0.59 119.26 121.97 3ipi h ALA 24 Ca 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ipi h ALA 24 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3ipi h ALA 24 CO -0.09 0.09 0.42 0.78 0.00 0.00 0.00 179.25 180.45 3ipi h GLY 25 N 0.51 1.20 0.92 0.00 0.00 -0.48 -0.54 103.07 104.67 3ipi h GLY 25 Ca 0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3ipi h GLY 25 CO -0.02 0.54 0.12 -2.22 0.00 0.00 0.00 176.54 174.96 3ipi h ILE 26 N 1.11 1.18 -0.47 2.60 2.04 -0.66 0.20 117.51 123.51 3ipi h ILE 26 Ca 0.28 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3ipi h ILE 26 Cb 0.07 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3ipi h ILE 26 CO -0.04 0.19 0.20 0.11 0.00 0.00 0.00 178.15 178.61 3ipi h LYS 27 N 0.33 0.70 -0.81 2.37 1.57 -0.85 -1.02 116.57 118.86 3ipi h LYS 27 Ca 0.10 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3ipi h LYS 27 Cb 0.19 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3ipi h LYS 27 CO -0.01 0.63 0.44 1.49 -0.57 0.00 0.00 179.45 181.43 3ipi h GLU 28 N 0.62 1.13 -0.84 3.15 4.22 -0.95 -2.10 114.58 119.81 3ipi h GLU 28 Ca 0.16 -0.13 0.06 0.00 0.08 0.00 0.00 59.36 59.52 3ipi h GLU 28 Cb 0.18 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 3ipi h GLU 28 CO -0.01 0.83 0.52 1.03 -2.18 0.00 0.00 179.01 179.20 3ipi h SER 29 N 1.12 0.83 -0.36 1.04 0.87 -0.50 -1.95 113.55 114.60 3ipi h SER 29 Ca 0.28 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3ipi h SER 29 Cb 0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3ipi h SER 29 CO -0.05 0.54 0.02 0.40 -0.53 0.00 0.00 176.83 177.21 3ipi h ILE 30 N 0.97 1.23 0.00 2.23 2.04 -0.54 -2.32 117.51 121.10 3ipi h ILE 30 Ca 0.36 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3ipi h ILE 30 Cb 0.15 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3ipi h ILE 30 CO -0.16 0.32 0.00 0.71 0.00 0.00 0.00 178.15 179.02 3ipi h THR 31 N 0.68 0.00 0.00 -0.27 1.35 -0.85 -2.43 112.91 111.39 3ipi h THR 31 Ca 0.14 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 3ipi h THR 31 Cb 0.39 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3ipi h THR 31 CO 0.01 0.00 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.11 3ipi h LEU 32 N 0.00 0.00 -9.10 3.87 3.38 -1.37 -3.45 115.31 108.65 3ipi h LEU 32 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3ipi h LEU 32 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3ipi h LEU 32 CO 0.00 0.11 1.03 -0.63 0.09 0.00 0.00 178.44 179.04 3ipi s ILE 33 N -3.16 3.91 -0.05 1.22 1.01 -0.92 -4.92 121.20 118.29 3ipi s ILE 33 Ca 0.06 1.07 -0.19 0.00 0.00 0.00 0.00 60.65 61.59 3ipi s ILE 33 Cb 0.06 -3.82 -0.31 0.00 0.01 0.00 0.00 42.46 38.40 3ipi s ILE 33 CO 0.68 -0.24 0.81 -0.33 0.00 0.00 0.00 174.94 175.87 3ipi h GLU 34 N 9.54 0.32 -6.26 2.79 4.39 -1.89 -3.45 114.58 120.02 3ipi h GLU 34 Ca -0.31 -0.55 -0.56 0.00 0.34 0.00 0.00 59.36 58.28 3ipi h GLU 34 Cb 1.13 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3ipi h GLU 34 CO 0.99 1.26 1.17 0.34 -1.16 0.00 0.00 179.01 181.61 3ipi s ASP 35 N -7.09 6.41 0.24 1.42 -1.08 -1.26 -4.88 116.67 110.42 3ipi s ASP 35 Ca -0.15 2.06 -0.05 0.00 -0.52 0.00 0.00 52.55 53.89 3ipi s ASP 35 Cb 0.02 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.36 3ipi s ASP 35 CO 0.83 -1.17 1.75 -0.65 0.52 0.00 0.00 175.17 176.45 3ipi h PRO 36 N 10.70 0.49 -0.02 4.34 0.11 -1.99 -0.20 132.00 145.43 3ipi h PRO 36 Ca -0.39 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ipi h PRO 36 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ipi h PRO 36 CO 0.97 0.33 0.01 0.78 -0.21 0.00 0.00 178.00 179.87 3ipi h GLY 37 N 0.51 0.04 0.98 -0.55 0.00 -1.99 -0.91 103.07 101.15 3ipi h GLY 37 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 3ipi h GLY 37 CO -0.35 0.02 0.28 1.41 0.00 0.00 0.00 176.54 177.90 3ipi h LEU 38 N -0.12 0.60 -0.49 3.11 3.38 -1.88 -2.69 115.31 117.20 3ipi h LEU 38 Ca 0.01 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3ipi h LEU 38 Cb 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3ipi h LEU 38 CO -0.00 0.50 0.23 0.50 0.09 0.00 0.00 178.44 179.75 3ipi h LYS 39 N 0.65 0.43 -0.88 1.13 3.64 -0.93 0.11 116.57 120.72 3ipi h LYS 39 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ipi h LYS 39 Cb 0.02 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3ipi h LYS 39 CO -0.03 0.28 0.00 1.17 -2.27 0.00 0.00 179.45 178.60 3ipi n LYS 40 N -4.93 0.08 0.00 1.90 4.81 -0.36 -1.04 118.16 118.63 3ipi n LYS 40 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3ipi n LYS 40 Cb 0.16 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.98 3ipi n LYS 40 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3ipi n VAL 42 N 0.68 0.00 -0.29 3.15 0.31 0.02 -1.89 118.33 120.30 3ipi n VAL 42 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3ipi n VAL 42 Cb 0.03 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.20 3ipi n VAL 42 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ipi h GLU 43 N 0.00 1.00 -0.03 5.55 5.08 -1.33 -1.84 114.58 123.01 3ipi h GLU 43 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ipi h GLU 43 Cb 0.00 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3ipi h GLU 43 CO 0.00 0.66 0.00 1.25 -1.00 0.00 0.00 179.01 179.93 3ipi h HIS 44 N 1.03 0.06 -0.02 4.33 2.76 -1.63 -1.40 115.15 120.29 3ipi h HIS 44 Ca 0.38 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.50 3ipi h HIS 44 Cb 0.16 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3ipi h HIS 44 CO -0.00 0.32 -0.16 -0.39 -1.30 0.00 0.00 177.93 176.40 3ipi h VAL 45 N -0.21 1.13 0.00 5.26 -1.51 -1.78 -2.38 116.25 116.76 3ipi h VAL 45 Ca 0.01 -0.60 -0.16 0.00 -1.23 0.00 0.00 66.70 64.73 3ipi h VAL 45 Cb 0.29 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 3ipi h VAL 45 CO 0.00 0.17 -0.80 0.00 -1.23 0.00 0.00 177.57 175.72 3ipi n HIS 47 N -3.25 1.53 0.90 0.00 -0.00 -0.53 -4.34 115.22 109.53 3ipi n HIS 47 Ca -0.00 -2.11 0.10 0.00 -0.00 0.00 0.00 57.72 55.71 3ipi n HIS 47 Cb 0.83 -1.59 -0.02 0.00 -0.00 0.00 0.00 29.99 29.21 3ipi n HIS 47 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3ipi n SER 48 N 1.56 1.74 0.00 0.26 7.64 -1.25 -4.96 113.62 118.61 3ipi n SER 48 Ca 0.53 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3ipi n SER 48 Cb 0.54 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 3ipi n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ipi n GLY 49 N 1.34 0.65 3.57 0.23 0.00 -1.26 -5.02 105.19 104.70 3ipi n GLY 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3ipi n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ipi s GLY 50 N -1.98 1.57 -0.02 -0.02 0.00 -1.26 -4.96 107.32 100.66 3ipi s GLY 50 Ca 0.00 -0.09 0.21 0.00 0.00 0.00 0.00 44.72 44.85 3ipi s GLY 50 CO 0.00 0.56 1.53 0.28 0.00 0.00 0.00 173.10 175.47 3ipi n LYS 51 N -4.60 2.88 -4.01 2.90 4.76 -1.26 -4.96 118.16 113.86 3ipi n LYS 51 Ca 0.05 -2.65 -0.30 0.00 -2.87 0.00 0.00 58.31 52.54 3ipi n LYS 51 Cb 0.55 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 3ipi n LYS 51 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ipi n ARG 52 N 1.49 -3.90 0.02 1.97 5.12 -1.26 -4.88 116.66 115.22 3ipi n ARG 52 Ca 0.24 0.46 -0.10 0.00 -1.93 0.00 0.00 57.85 56.51 3ipi n ARG 52 Cb 0.64 -5.00 -0.04 0.00 -1.16 0.00 0.00 32.46 26.91 3ipi n ARG 52 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3ipi h ILE 53 N -1.78 0.69 0.16 0.55 1.08 -1.99 -2.26 117.51 113.95 3ipi h ILE 53 Ca -0.60 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 3ipi h ILE 53 Cb 1.38 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.81 3ipi h ILE 53 CO 0.68 0.00 -0.10 0.03 -0.69 0.00 0.00 178.15 178.08 3ipi h ARG 54 N -0.17 -0.24 -0.16 2.37 3.08 -1.98 -0.03 114.38 117.25 3ipi h ARG 54 Ca 0.07 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3ipi h ARG 54 Cb 0.26 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3ipi h ARG 54 CO -0.17 -0.16 -0.20 -1.00 -1.07 0.00 0.00 179.97 177.38 3ipi h PRO 55 N -0.25 0.27 -0.44 0.04 0.13 -1.79 -2.03 132.00 127.94 3ipi h PRO 55 Ca -0.02 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 3ipi h PRO 55 Cb 0.21 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 3ipi h PRO 55 CO 0.02 0.47 -0.08 0.82 -0.23 0.00 0.00 178.00 178.99 3ipi h ILE 56 N 0.25 1.27 -0.97 -3.56 2.04 -1.16 -1.73 117.51 113.66 3ipi h ILE 56 Ca 0.04 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.77 3ipi h ILE 56 Cb 0.50 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3ipi h ILE 56 CO 0.03 0.40 0.62 0.40 0.00 0.00 0.00 178.15 179.61 3ipi h ILE 57 N 0.67 1.12 -0.36 -0.67 2.04 -0.65 0.94 117.51 120.60 3ipi h ILE 57 Ca 0.11 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3ipi h ILE 57 Cb 0.61 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3ipi h ILE 57 CO 0.04 0.21 0.18 0.25 0.00 0.00 0.00 178.15 178.83 3ipi h LEU 58 N 1.17 0.46 -0.55 1.44 6.46 -0.93 -0.92 115.31 122.44 3ipi h LEU 58 Ca 0.40 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.98 3ipi h LEU 58 Cb 0.08 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3ipi h LEU 58 CO -0.15 0.44 0.06 -0.07 -0.62 0.00 0.00 178.44 178.10 3ipi h LEU 59 N 0.44 0.90 -0.98 2.25 3.38 -0.68 -2.26 115.31 118.36 3ipi h LEU 59 Ca 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3ipi h LEU 59 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3ipi h LEU 59 CO -0.02 0.95 0.40 -0.07 0.09 0.00 0.00 178.44 179.79 3ipi h LEU 60 N 0.81 1.01 -0.52 1.67 3.38 -0.58 -1.22 115.31 119.86 3ipi h LEU 60 Ca 0.16 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3ipi h LEU 60 Cb 0.46 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ipi h LEU 60 CO 0.02 0.84 -0.06 0.58 0.09 0.00 0.00 178.44 179.90 3ipi h VAL 61 N 1.12 1.27 -0.97 1.22 2.07 -1.03 -0.97 116.25 118.96 3ipi h VAL 61 Ca 0.28 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3ipi h VAL 61 Cb 0.08 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3ipi h VAL 61 CO -0.04 0.42 0.64 -1.28 0.02 0.00 0.00 177.57 177.33 3ipi h SER 62 N 0.83 1.08 -0.52 0.57 0.87 -0.93 -1.60 113.55 113.86 3ipi h SER 62 Ca 0.14 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3ipi h SER 62 Cb 0.61 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3ipi h SER 62 CO 0.04 0.76 0.22 -0.33 -0.53 0.00 0.00 176.83 176.99 3ipi h GLU 63 N 1.27 0.76 -0.47 2.24 5.08 -0.79 0.55 114.58 123.21 3ipi h GLU 63 Ca 0.37 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3ipi h GLU 63 Cb -0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3ipi h GLU 63 CO -0.10 0.66 0.23 0.82 -1.00 0.00 0.00 179.01 179.62 3ipi h ILE 64 N 0.69 0.95 0.00 3.13 1.08 -0.52 0.79 117.51 123.63 3ipi h ILE 64 Ca 0.17 -0.16 -0.16 0.00 -0.39 0.00 0.00 64.86 64.33 3ipi h ILE 64 Cb 0.17 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3ipi h ILE 64 CO -0.02 0.08 -0.74 0.00 -0.69 0.00 0.00 178.15 176.78 3ipi n SER 66 N -3.46 0.34 0.00 0.00 3.41 0.16 -4.87 113.62 109.20 3ipi n SER 66 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3ipi n SER 66 Cb 0.77 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3ipi n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ipi n GLY 67 N 0.54 0.79 3.21 5.00 0.00 0.27 -5.00 105.19 110.01 3ipi n GLY 67 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ipi n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ipi s SER 68 N -2.63 0.22 0.00 1.61 0.15 -1.26 -4.93 113.70 106.87 3ipi s SER 68 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 3ipi s SER 68 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3ipi s SER 68 CO 0.00 -0.75 0.15 0.00 1.20 0.00 0.00 173.24 173.84 3ipi n TYR 69 N -0.08 0.00 -0.10 3.44 0.18 -1.26 -2.82 117.16 116.51 3ipi n TYR 69 Ca -0.10 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.62 3ipi n TYR 69 Cb 0.63 0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.62 3ipi n TYR 69 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3ipi h SER 70 N 0.00 -0.75 0.37 9.48 4.64 -1.97 -1.16 113.55 124.16 3ipi h SER 70 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ipi h SER 70 Cb 0.73 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ipi h SER 70 CO 0.00 -0.25 0.00 0.54 -0.87 0.00 0.00 176.83 176.25 3ipi n ARG 71 N -5.38 0.06 0.00 4.77 1.74 -1.26 -3.05 116.66 113.54 3ipi n ARG 71 Ca 0.01 0.39 0.13 0.00 -0.77 0.00 0.00 57.85 57.62 3ipi n ARG 71 Cb 0.30 -1.63 0.35 0.00 -1.02 0.00 0.00 32.46 30.45 3ipi n ARG 71 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ipi n SER 72 N -1.74 1.92 -0.03 0.55 7.64 -0.44 -4.54 113.62 116.97 3ipi n SER 72 Ca 0.02 -1.57 -0.08 0.00 1.01 0.00 0.00 58.87 58.24 3ipi n SER 72 Cb 0.12 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 3ipi n SER 72 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3ipi h LEU 73 N 2.91 -0.41 -1.66 -3.43 5.85 -1.61 -1.55 115.31 115.40 3ipi h LEU 73 Ca 0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3ipi h LEU 73 Cb 0.66 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ipi h LEU 73 CO 0.00 -0.16 -0.19 0.78 -0.34 0.00 0.00 178.44 178.53 3ipi h ASN 74 N -0.12 0.00 -0.29 1.25 2.35 -1.87 0.04 115.58 116.94 3ipi h ASN 74 Ca 0.12 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 3ipi h ASN 74 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3ipi h ASN 74 CO -0.27 0.19 -0.52 0.00 -1.65 0.00 0.00 177.43 175.17 3ipi h ALA 75 N 1.81 0.49 -0.54 -0.83 0.00 -1.64 -0.51 119.26 118.05 3ipi h ALA 75 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ipi h ALA 75 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ipi h ALA 75 CO 0.02 0.68 0.22 0.00 0.00 0.00 0.00 179.25 180.17 3ipi h ALA 76 N 0.71 0.70 -0.67 0.00 0.00 -0.35 -1.93 119.26 117.72 3ipi h ALA 76 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ipi h ALA 76 Cb 1.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3ipi h ALA 76 CO 0.12 0.31 0.15 -0.07 0.00 0.00 0.00 179.25 179.76 3ipi h LEU 77 N 0.73 1.03 -0.49 0.00 3.38 -0.92 -1.94 115.31 117.10 3ipi h LEU 77 Ca 0.18 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ipi h LEU 77 Cb 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3ipi h LEU 77 CO -0.01 1.00 0.25 0.00 0.09 0.00 0.00 178.44 179.76 3ipi h ALA 78 N 1.07 0.62 -0.62 1.53 0.00 -0.73 -2.12 119.26 119.01 3ipi h ALA 78 Ca 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3ipi h ALA 78 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ipi h ALA 78 CO 0.00 -0.09 0.19 0.28 0.00 0.00 0.00 179.25 179.63 3ipi h VAL 79 N 0.49 1.23 -0.55 0.00 2.07 -1.08 -3.43 116.25 114.99 3ipi h VAL 79 Ca 0.21 -0.80 -0.39 0.00 0.82 0.00 0.00 66.70 66.54 3ipi h VAL 79 Cb 0.12 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3ipi h VAL 79 CO -0.15 0.31 1.27 -0.70 0.02 0.00 0.00 177.57 178.32 3ipi s GLU 80 N -5.32 2.77 0.00 1.57 2.56 -0.75 -4.69 118.70 114.83 3ipi s GLU 80 Ca -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 54.97 53.57 3ipi s GLU 80 Cb 0.16 -5.29 0.00 0.00 2.00 0.00 0.00 34.13 30.99 3ipi s GLU 80 CO 0.81 -3.66 0.00 1.58 -0.56 0.00 0.00 175.26 173.43 3ipi n HIS 83 N 13.29 0.00 -0.31 5.30 -0.00 -1.26 -4.58 115.22 127.65 3ipi n HIS 83 Ca 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 58.13 3ipi n HIS 83 Cb 0.46 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.53 3ipi n HIS 83 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3ipi h SER 84 N 0.00 1.07 -0.81 0.26 0.02 -1.96 -1.43 113.55 110.70 3ipi h SER 84 Ca 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3ipi h SER 84 Cb 0.00 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 3ipi h SER 84 CO 0.00 0.88 0.48 0.00 -1.14 0.00 0.00 176.83 177.04 3ipi h ALA 85 N 1.24 1.03 -0.45 3.77 0.00 -1.87 -1.55 119.26 121.43 3ipi h ALA 85 Ca 0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3ipi h ALA 85 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ipi h ALA 85 CO -0.04 0.51 -0.06 0.66 0.00 0.00 0.00 179.25 180.31 3ipi h SER 86 N 1.11 0.75 -0.51 0.00 4.64 -1.77 -1.18 113.55 116.60 3ipi h SER 86 Ca 0.29 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3ipi h SER 86 Cb -0.02 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3ipi h SER 86 CO -0.05 0.86 0.05 -0.07 -0.87 0.00 0.00 176.83 176.75 3ipi h LEU 87 N 0.71 0.85 -0.11 5.97 3.38 -0.84 0.03 115.31 125.30 3ipi h LEU 87 Ca 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ipi h LEU 87 Cb 0.53 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ipi h LEU 87 CO 0.03 0.92 0.02 0.40 0.09 0.00 0.00 178.44 179.90 3ipi h ILE 88 N 0.75 1.21 -0.63 1.22 2.04 -1.09 -1.18 117.51 119.84 3ipi h ILE 88 Ca 0.15 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 3ipi h ILE 88 Cb 0.45 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3ipi h ILE 88 CO 0.02 0.19 0.14 0.45 0.00 0.00 0.00 178.15 178.95 3ipi h HIS 89 N -0.05 1.04 -0.31 1.37 3.86 -1.16 -1.21 115.15 118.69 3ipi h HIS 89 Ca 0.03 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 3ipi h HIS 89 Cb 0.29 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3ipi h HIS 89 CO 0.02 0.86 -0.09 -0.44 0.86 0.00 0.00 177.93 179.14 3ipi h ASP 90 N 0.95 0.50 -0.52 2.45 3.32 -0.90 0.40 116.42 122.62 3ipi h ASP 90 Ca 0.20 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3ipi h ASP 90 Cb 0.36 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3ipi h ASP 90 CO 0.00 0.64 -0.02 0.44 -1.72 0.00 0.00 179.24 178.58 3ipi h ASP 91 N 0.49 0.91 -0.53 6.45 3.32 -0.64 -0.20 116.42 126.22 3ipi h ASP 91 Ca 0.09 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3ipi h ASP 91 Cb 0.46 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3ipi h ASP 91 CO 0.03 1.01 0.29 0.25 -1.72 0.00 0.00 179.24 179.10 3ipi h LEU 92 N 0.79 0.67 0.79 1.55 5.85 -0.64 -0.04 115.31 124.28 3ipi h LEU 92 Ca 0.14 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ipi h LEU 92 Cb 0.56 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.42 3ipi h LEU 92 CO 0.03 0.57 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.25 3ipi h LEU 93 N 0.72 -0.90 -1.08 2.25 3.38 -0.63 -1.50 115.31 117.55 3ipi h LEU 93 Ca 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3ipi h LEU 93 Cb 0.05 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3ipi h LEU 93 CO -0.03 -0.61 0.37 0.44 0.09 0.00 0.00 178.44 178.69 3ipi h ASP 94 N -1.10 0.91 0.98 -0.43 3.32 -1.00 -2.55 116.42 116.54 3ipi h ASP 94 Ca -0.11 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 3ipi h ASP 94 Cb 0.82 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3ipi h ASP 94 CO 0.18 0.76 -1.10 1.56 -1.72 0.00 0.00 179.24 178.92 3ipi h GLN 95 N 1.02 0.00 0.00 3.56 4.20 -1.02 -3.44 115.11 119.43 3ipi h GLN 95 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3ipi h GLN 95 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3ipi h GLN 95 CO -0.04 0.44 -0.20 0.41 -0.67 0.00 0.00 178.83 178.78 3ipi n GLY 96 N 1.35 -0.04 0.00 3.46 0.00 -0.57 -3.72 105.19 105.66 3ipi n GLY 96 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ipi n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ipi n LEU 97 N 0.00 0.00 -0.08 0.99 4.77 -0.97 -4.90 117.00 116.81 3ipi n LEU 97 Ca 0.00 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.62 3ipi n LEU 97 Cb 0.58 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 3ipi n LEU 97 CO 0.00 0.00 -1.04 1.33 -1.33 0.00 0.00 177.39 176.35 3ipi n VAL 98 N -0.63 1.03 -2.87 4.08 0.24 -1.16 -4.69 118.33 114.32 3ipi n VAL 98 Ca 0.00 -0.51 -0.35 0.00 -2.04 0.00 0.00 64.34 61.44 3ipi n VAL 98 Cb 0.00 -0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 31.48 3ipi n VAL 98 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3ipi n ARG 99 N -2.78 4.23 -0.11 7.34 1.85 -1.26 -4.87 116.66 121.05 3ipi n ARG 99 Ca -0.28 -4.73 0.10 0.00 -1.00 0.00 0.00 57.85 51.93 3ipi n ARG 99 Cb 0.91 -2.37 0.45 0.00 -1.05 0.00 0.00 32.46 30.41 3ipi n ARG 99 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ipi h ARG 100 N 3.88 0.50 -0.00 2.89 3.08 -1.91 -2.31 114.38 120.51 3ipi h ARG 100 Ca 0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3ipi h ARG 100 Cb 0.45 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3ipi h ARG 100 CO 1.03 0.33 -0.12 0.09 -1.07 0.00 0.00 179.97 180.23 3ipi n ASN 101 N -4.48 0.37 -4.98 7.04 3.02 -1.26 -4.88 115.26 110.09 3ipi n ASN 101 Ca 0.10 -0.37 -0.20 0.00 -0.03 0.00 0.00 54.58 54.08 3ipi n ASN 101 Cb 0.31 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 3ipi n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ipi s LEU 102 N -2.60 4.00 0.28 3.41 1.43 -0.87 -5.04 118.68 119.28 3ipi s LEU 102 Ca 0.25 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 3ipi s LEU 102 Cb 0.20 -2.82 -0.14 0.00 0.03 0.00 0.00 46.19 43.45 3ipi s LEU 102 CO 0.50 -0.40 1.12 -2.65 0.23 0.00 0.00 176.35 175.16 3ipi n PRO 103 N -1.65 1.54 -1.80 1.29 -0.02 -1.26 -4.85 135.00 128.24 3ipi n PRO 103 Ca -0.01 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3ipi n PRO 103 Cb 0.58 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3ipi n PRO 103 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3ipi s SER 104 N -0.34 6.46 0.44 2.55 0.01 -1.26 -4.98 113.70 116.58 3ipi s SER 104 Ca 0.61 2.74 -0.19 0.00 1.31 0.00 0.00 55.95 60.42 3ipi s SER 104 Cb -0.69 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 62.85 3ipi s SER 104 CO 0.58 -0.94 0.92 0.00 0.41 0.00 0.00 173.24 174.22 3ipi s ALA 105 N 1.73 3.10 0.47 1.44 0.00 -1.24 -5.03 121.76 122.22 3ipi s ALA 105 Ca 0.75 0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 3ipi s ALA 105 Cb -0.46 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3ipi s ALA 105 CO 0.33 0.05 1.17 -1.25 0.00 0.00 0.00 175.76 176.06 3ipi s PRO 106 N -3.42 3.72 -0.02 0.00 0.04 -1.26 -4.89 135.00 129.16 3ipi s PRO 106 Ca 0.60 1.78 -0.00 0.00 0.04 0.00 0.00 61.00 63.42 3ipi s PRO 106 Cb -0.09 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.09 3ipi s PRO 106 CO 0.19 -0.59 0.04 -1.21 0.04 0.00 0.00 177.00 175.47 3ipi s GLU 107 N -2.73 -0.01 0.11 4.56 2.02 -1.26 -5.00 118.70 116.39 3ipi s GLU 107 Ca 0.64 0.17 -0.21 0.00 0.02 0.00 0.00 54.97 55.59 3ipi s GLU 107 Cb -0.29 -0.19 -0.09 0.00 0.10 0.00 0.00 34.13 33.66 3ipi s GLU 107 CO 0.35 -0.14 1.74 0.87 0.02 0.00 0.00 175.26 178.10 3ipi h LYS 108 N 7.05 0.07 -6.11 1.61 6.56 -2.01 -3.42 116.57 120.32 3ipi h LYS 108 Ca -0.41 -0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 58.64 3ipi h LYS 108 Cb 1.14 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.75 3ipi h LYS 108 CO 0.48 0.04 -0.49 -0.06 -2.06 0.00 0.00 179.45 177.36 3ipi s PHE 109 N -6.19 3.37 0.84 -1.35 0.08 -1.26 -5.09 117.98 108.38 3ipi s PHE 109 Ca -0.13 0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.86 3ipi s PHE 109 Cb 0.08 -1.60 0.10 0.00 -0.57 0.00 0.00 43.02 41.03 3ipi s PHE 109 CO 0.68 0.51 1.10 0.20 -0.10 0.00 0.00 175.22 177.60 3ipi s GLY 110 N -3.33 1.66 0.18 4.36 0.00 -1.26 -4.74 107.32 104.19 3ipi s GLY 110 Ca 0.33 0.22 -0.13 0.00 0.00 0.00 0.00 44.72 45.15 3ipi s GLY 110 CO 0.27 0.63 1.78 -2.55 0.00 0.00 0.00 173.10 173.23 3ipi h PRO 111 N -1.39 0.48 -0.73 2.90 0.11 -1.98 -0.94 132.00 130.44 3ipi h PRO 111 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3ipi h PRO 111 Cb 1.25 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3ipi h PRO 111 CO 0.51 0.32 0.33 0.66 -0.21 0.00 0.00 178.00 179.60 3ipi h SER 112 N 0.50 0.99 -0.49 -2.05 4.64 -2.00 -2.11 113.55 113.02 3ipi h SER 112 Ca 0.23 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 3ipi h SER 112 Cb 0.16 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3ipi h SER 112 CO -0.17 0.87 0.23 1.23 -0.87 0.00 0.00 176.83 178.12 3ipi h GLY 113 N 1.04 0.76 0.98 -0.77 0.00 -1.78 -1.72 103.07 101.58 3ipi h GLY 113 Ca 0.25 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3ipi h GLY 113 CO -0.03 0.36 0.25 0.00 0.00 0.00 0.00 176.54 177.12 3ipi h ALA 114 N 1.08 0.52 0.04 3.60 0.00 -0.95 0.05 119.26 123.60 3ipi h ALA 114 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ipi h ALA 114 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ipi h ALA 114 CO -0.02 0.02 -0.02 1.25 0.00 0.00 0.00 179.25 180.48 3ipi h LEU 115 N 0.54 -0.05 -0.87 0.00 5.85 -1.22 -2.24 115.31 117.32 3ipi h LEU 115 Ca 0.15 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3ipi h LEU 115 Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3ipi h LEU 115 CO -0.03 0.03 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.76 3ipi h LEU 116 N -0.12 0.53 -0.59 2.25 3.38 -1.22 -1.82 115.31 117.73 3ipi h LEU 116 Ca -0.01 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3ipi h LEU 116 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ipi h LEU 116 CO 0.01 0.79 0.07 0.00 0.09 0.00 0.00 178.44 179.39 3ipi h GLY 118 N 0.89 0.69 1.15 0.00 0.00 -1.20 -1.18 103.07 103.42 3ipi h GLY 118 Ca 0.17 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3ipi h GLY 118 CO 0.02 0.37 0.29 -0.55 0.00 0.00 0.00 176.54 176.66 3ipi h ASP 119 N 0.54 1.00 -0.27 0.19 3.32 -1.07 -1.43 116.42 118.69 3ipi h ASP 119 Ca 0.14 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ipi h ASP 119 Cb 0.22 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3ipi h ASP 119 CO -0.01 0.89 0.16 0.22 -1.72 0.00 0.00 179.24 178.78 3ipi h TYR 120 N 1.06 0.37 -0.67 4.55 3.20 -0.64 -2.02 116.97 122.82 3ipi h TYR 120 Ca 0.24 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3ipi h TYR 120 Cb 0.21 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3ipi h TYR 120 CO 0.02 0.29 0.19 -0.07 -1.64 0.00 0.00 178.16 176.95 3ipi h LEU 121 N 0.34 0.98 -0.15 2.82 3.38 -0.87 0.15 115.31 121.95 3ipi h LEU 121 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ipi h LEU 121 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ipi h LEU 121 CO -0.02 0.92 0.06 0.40 0.09 0.00 0.00 178.44 179.90 3ipi h ILE 122 N 1.00 1.16 -0.89 1.22 1.08 -1.11 -0.26 117.51 119.72 3ipi h ILE 122 Ca 0.22 -0.47 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3ipi h ILE 122 Cb 0.31 1.19 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 3ipi h ILE 122 CO -0.00 0.15 0.58 0.00 -0.69 0.00 0.00 178.15 178.18 3ipi h ALA 123 N 0.90 1.14 -0.72 1.87 0.00 -1.13 -1.57 119.26 119.75 3ipi h ALA 123 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ipi h ALA 123 Cb 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ipi h ALA 123 CO -0.00 0.49 0.31 -0.22 0.00 0.00 0.00 179.25 179.82 3ipi h LYS 124 N 1.17 1.06 0.00 0.00 3.64 -0.68 -1.44 116.57 120.32 3ipi h LYS 124 Ca 0.34 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3ipi h LYS 124 Cb -0.09 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3ipi h LYS 124 CO -0.09 0.85 -0.13 0.66 -2.27 0.00 0.00 179.45 178.47 3ipi h SER 125 N 1.04 0.00 -0.35 4.20 4.64 -0.05 -1.08 113.55 121.95 3ipi h SER 125 Ca 0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 3ipi h SER 125 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3ipi h SER 125 CO -0.02 0.13 -0.08 0.40 -0.87 0.00 0.00 176.83 176.38 3ipi h ILE 126 N 0.00 1.28 -0.71 0.95 2.04 -0.80 0.30 117.51 120.56 3ipi h ILE 126 Ca -0.00 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 3ipi h ILE 126 Cb 0.23 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3ipi h ILE 126 CO 0.02 0.37 0.25 0.00 0.00 0.00 0.00 178.15 178.78 3ipi h ALA 127 N 0.82 1.09 -0.00 1.87 0.00 -0.88 -1.72 119.26 120.44 3ipi h ALA 127 Ca 0.09 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3ipi h ALA 127 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3ipi h ALA 127 CO 0.03 0.63 -0.75 0.74 0.00 0.00 0.00 179.25 179.91 3ipi h PHE 128 N 1.05 0.02 0.00 0.00 -1.00 -1.00 -3.16 116.94 112.85 3ipi h PHE 128 Ca 0.23 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3ipi h PHE 128 Cb 0.26 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 3ipi h PHE 128 CO 0.02 0.76 -0.31 1.51 -1.61 0.00 0.00 178.31 178.68 3ipi n ILE 129 N -3.66 0.25 -0.32 -0.55 0.13 0.07 -4.41 119.36 110.87 3ipi n ILE 129 Ca -0.01 -0.15 0.33 0.00 -1.10 0.00 0.00 62.75 61.82 3ipi n ILE 129 Cb 0.72 -0.23 0.70 0.00 -0.84 0.00 0.00 39.64 40.00 3ipi n ILE 129 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 3ipi h SER 130 N 0.00 0.09 0.02 9.51 4.64 -1.28 -2.41 113.55 124.12 3ipi h SER 130 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ipi h SER 130 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3ipi h SER 130 CO 0.00 0.01 -0.04 -0.81 -0.87 0.00 0.00 176.83 175.13 3ipi n PRO 131 N -4.28 1.54 -0.01 4.77 -0.04 -1.26 -4.38 135.00 131.34 3ipi n PRO 131 Ca 0.25 -0.88 0.13 0.00 -0.04 0.00 0.00 63.50 62.96 3ipi n PRO 131 Cb 1.17 -1.48 0.66 0.00 -0.04 0.00 0.00 33.50 33.81 3ipi n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ipi n TYR 132 N 0.04 0.03 0.00 0.54 4.02 -0.91 -5.04 117.16 115.85 3ipi n TYR 132 Ca 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3ipi n TYR 132 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 3ipi n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ipi n GLY 133 N 0.99 0.11 0.13 2.72 0.00 -1.26 -4.46 105.19 103.41 3ipi n GLY 133 Ca 0.19 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 3ipi n GLY 133 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ipi h GLU 134 N 0.00 0.04 -0.12 1.61 4.22 -1.96 -1.65 114.58 116.72 3ipi h GLU 134 Ca 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3ipi h GLU 134 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ipi h GLU 134 CO 0.00 0.03 0.07 -0.22 -2.18 0.00 0.00 179.01 176.71 3ipi h LYS 135 N 0.04 0.16 -0.31 1.92 1.63 -1.99 0.93 116.57 118.96 3ipi h LYS 135 Ca 0.13 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3ipi h LYS 135 Cb 0.19 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3ipi h LYS 135 CO -0.25 0.16 0.12 0.28 -3.45 0.00 0.00 179.45 176.32 3ipi h VAL 136 N 0.12 1.18 -0.33 2.00 2.07 -1.76 -1.43 116.25 118.10 3ipi h VAL 136 Ca 0.04 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 3ipi h VAL 136 Cb 0.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3ipi h VAL 136 CO -0.01 0.19 -0.20 0.40 0.02 0.00 0.00 177.57 177.97 3ipi h ILE 137 N 0.35 1.26 -0.51 4.57 2.04 -1.19 -0.55 117.51 123.49 3ipi h ILE 137 Ca 0.10 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.62 3ipi h ILE 137 Cb 0.19 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3ipi h ILE 137 CO -0.01 0.41 -0.06 -0.61 0.00 0.00 0.00 178.15 177.87 3ipi h GLN 138 N 0.55 0.94 -0.77 2.37 4.15 -0.67 -0.71 115.11 120.97 3ipi h GLN 138 Ca 0.08 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.12 3ipi h GLN 138 Cb 0.65 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3ipi h GLN 138 CO 0.05 0.99 0.28 -0.44 -1.93 0.00 0.00 178.83 177.78 3ipi h ASP 139 N 0.80 1.09 -0.26 -0.69 5.19 -0.92 -0.47 116.42 121.17 3ipi h ASP 139 Ca 0.14 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 3ipi h ASP 139 Cb 0.61 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3ipi h ASP 139 CO 0.04 0.98 0.14 0.15 -3.12 0.00 0.00 179.24 177.43 3ipi h PHE 140 N 1.13 0.36 -0.60 4.55 3.57 -0.83 -1.21 116.94 123.91 3ipi h PHE 140 Ca 0.25 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3ipi h PHE 140 Cb 0.26 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3ipi h PHE 140 CO 0.02 0.31 0.29 0.78 -2.23 0.00 0.00 178.31 177.49 3ipi h GLY 141 N 0.31 0.92 1.39 2.40 0.00 -0.81 -2.08 103.07 105.20 3ipi h GLY 141 Ca 0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3ipi h GLY 141 CO -0.01 0.43 0.24 0.50 0.00 0.00 0.00 176.54 177.69 3ipi h LYS 142 N 0.82 0.79 -0.51 4.80 1.57 -0.85 -2.28 116.57 120.90 3ipi h LYS 142 Ca 0.21 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3ipi h LYS 142 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3ipi h LYS 142 CO -0.03 0.63 -0.12 0.00 -0.57 0.00 0.00 179.45 179.37 3ipi h ALA 143 N 1.48 0.82 0.00 3.86 0.00 -0.84 -0.15 119.26 124.43 3ipi h ALA 143 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ipi h ALA 143 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ipi h ALA 143 CO -0.02 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3ipi n GLY 144 N -0.30 0.23 0.96 0.00 0.00 -0.82 -4.68 105.19 100.57 3ipi n GLY 144 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ipi n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipi n ASP 146 N 0.67 -0.25 0.00 1.61 8.00 -0.07 -4.72 116.55 121.78 3ipi n ASP 146 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3ipi n ASP 146 Cb 0.05 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3ipi n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ipi n ALA 148 N -0.74 0.00 -0.16 2.24 0.00 -1.26 0.37 120.51 120.96 3ipi n ALA 148 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ipi n ALA 148 Cb 0.12 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.74 3ipi n ALA 148 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ipi h GLU 149 N 0.00 0.91 -0.76 0.00 5.08 -1.94 -1.49 114.58 116.38 3ipi h GLU 149 Ca 0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3ipi h GLU 149 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3ipi h GLU 149 CO 0.00 0.80 0.31 0.78 -1.00 0.00 0.00 179.01 179.90 3ipi h GLY 150 N 1.01 1.21 1.33 -3.84 0.00 -0.37 -1.52 103.07 100.88 3ipi h GLY 150 Ca 0.19 -0.65 -0.14 0.00 0.00 0.00 0.00 47.33 46.73 3ipi h GLY 150 CO -0.00 0.61 -0.38 -2.09 0.00 0.00 0.00 176.54 174.67 3ipi h GLU 151 N 1.09 0.74 -0.50 4.80 4.57 -1.71 0.58 114.58 124.14 3ipi h GLU 151 Ca 0.25 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3ipi h GLU 151 Cb 0.20 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3ipi h GLU 151 CO -0.02 1.00 0.33 0.28 -1.18 0.00 0.00 179.01 179.41 3ipi h VAL 152 N 0.61 1.12 -0.40 0.32 2.07 -0.93 -1.81 116.25 117.22 3ipi h VAL 152 Ca 0.05 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3ipi h VAL 152 Cb 0.93 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ipi h VAL 152 CO 0.08 0.12 0.07 -0.07 0.02 0.00 0.00 177.57 177.80 3ipi h LEU 153 N 0.67 0.63 -0.95 2.57 -0.00 -1.10 -2.45 115.31 114.68 3ipi h LEU 153 Ca 0.18 -0.26 0.17 0.00 -0.00 0.00 0.00 57.88 57.98 3ipi h LEU 153 Cb -0.07 -0.17 -0.10 0.00 -0.00 0.00 0.00 40.66 40.32 3ipi h LEU 153 CO -0.05 0.73 0.54 -0.78 -0.00 0.00 0.00 178.44 178.88 3ipi h ASP 154 N 0.51 0.69 0.99 -0.43 3.58 -0.31 -1.49 116.42 119.97 3ipi h ASP 154 Ca 0.12 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3ipi h ASP 154 Cb 0.36 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3ipi h ASP 154 CO 0.01 0.26 -0.62 0.17 -2.88 0.00 0.00 179.24 176.17 3ipi h LEU 155 N 0.72 0.00 0.00 2.28 8.10 -1.26 -3.44 115.31 121.71 3ipi h LEU 155 Ca 0.53 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 58.37 3ipi h LEU 155 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 3ipi h LEU 155 CO -0.37 0.07 -0.11 0.11 -4.11 0.00 0.00 178.44 174.03 3ipi h LYS 156 N 0.00 0.00 0.00 0.17 1.79 -0.77 -3.52 116.57 114.24 3ipi h LYS 156 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ipi h LYS 156 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 3ipi h LYS 156 CO 0.00 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.76 3ipi n GLU 164 N -2.86 0.00 -0.09 3.15 4.71 -1.26 -5.01 120.64 119.28 3ipi n GLU 164 Ca -0.02 0.49 -0.10 0.00 -0.01 0.00 0.00 57.16 57.53 3ipi n GLU 164 Cb 0.06 -0.78 -0.03 0.00 -1.01 0.00 0.00 31.44 29.69 3ipi n GLU 164 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3ipi h ASN 165 N 0.00 0.38 -0.44 1.62 2.35 -2.05 -2.82 115.58 114.62 3ipi h ASN 165 Ca 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3ipi h ASN 165 Cb 0.00 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3ipi h ASN 165 CO 0.00 0.43 0.21 0.44 -1.65 0.00 0.00 177.43 176.86 3ipi h ASP 166 N 0.32 0.62 -0.18 5.81 3.32 -2.02 0.22 116.42 124.50 3ipi h ASP 166 Ca 0.10 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ipi h ASP 166 Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ipi h ASP 166 CO -0.01 0.55 0.10 0.22 -1.72 0.00 0.00 179.24 178.38 3ipi h TYR 167 N 0.69 0.24 -0.00 4.55 3.20 -1.93 0.16 116.97 123.88 3ipi h TYR 167 Ca 0.17 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 3ipi h TYR 167 Cb 0.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3ipi h TYR 167 CO 0.01 0.22 -0.67 0.74 -1.64 0.00 0.00 178.16 176.81 3ipi h PHE 168 N 0.20 0.01 -0.19 -3.82 0.04 -1.26 -1.47 116.94 110.46 3ipi h PHE 168 Ca 0.06 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 3ipi h PHE 168 Cb 0.05 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3ipi h PHE 168 CO -0.04 0.68 -0.32 -0.22 -0.60 0.00 0.00 178.31 177.80 3ipi h LYS 169 N 0.00 0.38 -0.11 1.51 3.64 -0.72 -1.72 116.57 119.55 3ipi h LYS 169 Ca -0.01 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3ipi h LYS 169 Cb 1.19 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3ipi h LYS 169 CO 0.09 0.66 -0.01 0.00 -2.27 0.00 0.00 179.45 177.93 3ipi h ILE 171 N -0.09 1.16 -0.10 0.00 2.04 -1.13 0.80 117.51 120.19 3ipi h ILE 171 Ca 0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3ipi h ILE 171 Cb 0.38 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3ipi h ILE 171 CO 0.01 0.16 0.07 0.22 0.00 0.00 0.00 178.15 178.60 3ipi h TYR 172 N 0.71 0.13 -0.09 1.37 3.20 -1.25 0.21 116.97 121.25 3ipi h TYR 172 Ca 0.19 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 3ipi h TYR 172 Cb -0.02 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3ipi h TYR 172 CO -0.03 0.09 -0.07 0.87 -1.64 0.00 0.00 178.16 177.39 3ipi h LYS 173 N 0.13 0.20 -0.02 1.82 1.79 -1.07 0.18 116.57 119.60 3ipi h LYS 173 Ca 0.04 -0.10 -0.23 0.00 -2.18 0.00 0.00 60.65 58.18 3ipi h LYS 173 Cb -0.00 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3ipi h LYS 173 CO -0.01 0.60 -0.94 -0.22 -1.08 0.00 0.00 179.45 177.80 3ipi h LYS 174 N -0.20 0.50 0.00 3.15 3.64 -0.88 -3.40 116.57 119.39 3ipi h LYS 174 Ca 0.02 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3ipi h LYS 174 Cb 0.55 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ipi h LYS 174 CO 0.02 1.15 -0.62 2.41 -2.27 0.00 0.00 179.45 180.14 3ipi n THR 175 N -3.79 0.32 -0.33 1.00 -1.04 -0.08 -4.79 114.28 105.56 3ipi n THR 175 Ca -0.07 0.11 0.05 0.00 -2.04 0.00 0.00 64.05 62.09 3ipi n THR 175 Cb 0.83 -1.40 0.23 0.00 -1.82 0.00 0.00 70.33 68.17 3ipi n THR 175 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ipi h ALA 176 N 0.00 1.51 -0.71 2.41 0.00 -1.11 -2.82 119.26 118.54 3ipi h ALA 176 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3ipi h ALA 176 Cb 0.62 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 3ipi h ALA 176 CO 0.00 0.32 0.22 0.66 0.00 0.00 0.00 179.25 180.45 3ipi h SER 177 N 1.04 0.13 -0.29 0.00 4.64 -0.86 0.11 113.55 118.33 3ipi h SER 177 Ca 0.43 0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.74 3ipi h SER 177 Cb 0.29 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3ipi h SER 177 CO -0.18 0.04 -0.30 0.25 -0.87 0.00 0.00 176.83 175.76 3ipi h LEU 178 N 0.34 0.83 -0.59 5.97 6.46 -1.79 -1.81 115.31 124.73 3ipi h LEU 178 Ca 0.39 -0.34 -0.08 0.00 -0.12 0.00 0.00 57.88 57.73 3ipi h LEU 178 Cb 0.61 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 3ipi h LEU 178 CO -0.44 1.07 0.06 -0.26 -0.62 0.00 0.00 178.44 178.26 3ipi h PHE 179 N 0.68 1.08 -0.26 1.25 0.04 -1.35 -0.24 116.94 118.14 3ipi h PHE 179 Ca 0.08 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.70 3ipi h PHE 179 Cb 0.84 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 3ipi h PHE 179 CO 0.05 0.94 0.13 0.00 -0.60 0.00 0.00 178.31 178.83 3ipi h ALA 180 N 1.00 0.31 0.00 2.45 0.00 -0.52 -2.40 119.26 120.11 3ipi h ALA 180 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ipi h ALA 180 Cb 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ipi h ALA 180 CO 0.02 -0.26 -0.09 -0.84 0.00 0.00 0.00 179.25 178.07 3ipi h ILE 181 N 0.28 0.18 -0.63 0.00 3.07 -1.22 -1.18 117.51 118.02 3ipi h ILE 181 Ca 0.10 -1.09 -0.07 0.00 1.55 0.00 0.00 64.86 65.36 3ipi h ILE 181 Cb 0.02 1.94 -0.03 0.00 -0.27 0.00 0.00 36.82 38.48 3ipi h ILE 181 CO -0.07 0.09 0.11 0.28 -1.05 0.00 0.00 178.15 177.51 3ipi h SER 182 N 0.00 0.97 0.00 2.16 0.02 -0.69 0.18 113.55 116.20 3ipi h SER 182 Ca -0.00 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 3ipi h SER 182 Cb 0.93 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.22 3ipi h SER 182 CO 0.01 0.96 -0.32 0.00 -1.14 0.00 0.00 176.83 176.34 3ipi h ALA 183 N 1.15 0.04 -0.52 3.77 0.00 -1.24 -2.63 119.26 119.83 3ipi h ALA 183 Ca 0.19 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3ipi h ALA 183 Cb 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ipi h ALA 183 CO 0.01 0.14 0.04 0.66 0.00 0.00 0.00 179.25 180.10 3ipi h SER 184 N -0.44 0.86 -0.47 0.00 4.64 -1.19 -1.16 113.55 115.80 3ipi h SER 184 Ca -0.04 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 3ipi h SER 184 Cb 1.08 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 3ipi h SER 184 CO 0.06 0.93 0.03 0.40 -0.87 0.00 0.00 176.83 177.39 3ipi h ILE 185 N 0.76 1.25 -0.55 0.95 2.04 -1.08 0.25 117.51 121.12 3ipi h ILE 185 Ca 0.15 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3ipi h ILE 185 Cb 0.47 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3ipi h ILE 185 CO 0.02 0.36 0.34 1.23 0.00 0.00 0.00 178.15 180.10 3ipi h GLY 186 N 0.99 0.79 0.94 5.37 0.00 -1.09 0.13 103.07 110.20 3ipi h GLY 186 Ca 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3ipi h GLY 186 CO 0.02 0.23 -0.04 0.00 0.00 0.00 0.00 176.54 176.75 3ipi h ALA 187 N 1.23 -0.12 -0.75 3.60 0.00 -0.66 -2.08 119.26 120.49 3ipi h ALA 187 Ca 0.22 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3ipi h ALA 187 Cb -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3ipi h ALA 187 CO -0.08 -0.53 0.43 1.88 0.00 0.00 0.00 179.25 180.94 3ipi h TYR 188 N -0.18 0.78 0.00 0.00 0.05 -0.47 0.36 116.97 117.51 3ipi h TYR 188 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3ipi h TYR 188 Cb 0.15 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3ipi h TYR 188 CO -0.05 0.36 0.00 1.79 -1.05 0.00 0.00 178.16 179.21 3ipi h THR 189 N 0.77 0.00 -0.55 -2.88 1.35 -0.50 -1.62 112.91 109.48 3ipi h THR 189 Ca 0.34 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3ipi h THR 189 Cb 0.23 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3ipi h THR 189 CO -0.20 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 3ipi n GLY 190 N -0.28 3.09 1.87 5.82 0.00 -0.01 -4.83 105.19 110.87 3ipi n GLY 190 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3ipi n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipi n GLY 191 N 0.55 0.58 3.77 -0.02 0.00 -0.61 -3.83 105.19 105.63 3ipi n GLY 191 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3ipi n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipi s ALA 192 N -2.13 2.62 0.61 4.61 0.00 -0.47 -4.99 121.76 122.00 3ipi s ALA 192 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 3ipi s ALA 192 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.83 3ipi s ALA 192 CO 0.00 -0.95 0.86 -1.21 0.00 0.00 0.00 175.76 174.46 3ipi s GLU 193 N -3.60 2.40 0.25 0.00 2.02 -1.26 -4.57 118.70 113.93 3ipi s GLU 193 Ca 0.70 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 55.04 3ipi s GLU 193 Cb -0.22 -2.38 0.47 0.00 0.10 0.00 0.00 34.13 32.10 3ipi s GLU 193 CO 0.32 -0.91 1.70 1.49 0.02 0.00 0.00 175.26 177.88 3ipi h GLU 194 N -0.17 0.31 -0.33 1.61 4.22 -1.98 -1.14 114.58 117.10 3ipi h GLU 194 Ca -0.43 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.03 3ipi h GLU 194 Cb 1.30 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3ipi h GLU 194 CO 0.55 0.21 0.11 0.93 -2.18 0.00 0.00 179.01 178.62 3ipi h GLU 195 N 0.32 0.24 -0.21 1.92 3.07 -1.99 -0.36 114.58 117.56 3ipi h GLU 195 Ca 0.42 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.13 3ipi h GLU 195 Cb 0.70 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3ipi h GLU 195 CO -0.48 0.16 -0.40 1.25 -1.40 0.00 0.00 179.01 178.14 3ipi h LEU 196 N 0.24 0.73 -1.58 1.33 5.85 -1.81 -3.00 115.31 117.07 3ipi h LEU 196 Ca 0.15 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.36 3ipi h LEU 196 Cb 0.13 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3ipi h LEU 196 CO -0.16 1.13 0.32 0.00 -0.34 0.00 0.00 178.44 179.39 3ipi h ALA 197 N 0.62 1.77 -0.64 1.25 0.00 -1.04 -1.53 119.26 119.69 3ipi h ALA 197 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ipi h ALA 197 Cb 1.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ipi h ALA 197 CO 0.09 0.17 0.14 1.49 0.00 0.00 0.00 179.25 181.14 3ipi h GLU 198 N 0.55 1.04 -0.81 0.00 4.57 -0.96 -0.76 114.58 118.20 3ipi h GLU 198 Ca 0.20 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 3ipi h GLU 198 Cb 0.10 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 3ipi h GLU 198 CO -0.05 0.95 0.34 0.00 -1.18 0.00 0.00 179.01 179.07 3ipi h ARG 199 N 0.96 1.20 -0.18 1.92 3.08 -1.16 -1.45 114.38 118.75 3ipi h ARG 199 Ca 0.20 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3ipi h ARG 199 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3ipi h ARG 199 CO 0.01 0.95 -0.34 0.74 -1.07 0.00 0.00 179.97 180.26 3ipi h PHE 200 N 1.17 0.42 -0.82 3.04 0.04 -1.10 -2.13 116.94 117.57 3ipi h PHE 200 Ca 0.27 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 3ipi h PHE 200 Cb 0.19 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 3ipi h PHE 200 CO 0.02 0.66 0.48 1.03 -0.60 0.00 0.00 178.31 179.90 3ipi h SER 201 N 0.32 0.99 -0.71 2.17 0.87 -0.39 -0.10 113.55 116.70 3ipi h SER 201 Ca 0.04 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 3ipi h SER 201 Cb 0.75 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3ipi h SER 201 CO 0.06 0.78 0.18 0.45 -0.53 0.00 0.00 176.83 177.76 3ipi h HIS 202 N 1.12 1.19 -0.13 2.24 3.86 -0.87 0.25 115.15 122.82 3ipi h HIS 202 Ca 0.29 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3ipi h HIS 202 Cb -0.02 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 3ipi h HIS 202 CO -0.00 0.96 0.07 0.35 0.86 0.00 0.00 177.93 180.17 3ipi h PHE 203 N 1.07 0.18 -0.70 2.45 3.57 -0.79 -1.43 116.94 121.28 3ipi h PHE 203 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3ipi h PHE 203 Cb 0.37 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3ipi h PHE 203 CO 0.03 0.18 0.45 0.78 -2.23 0.00 0.00 178.31 177.52 3ipi h GLY 204 N 0.12 1.01 1.02 2.40 0.00 -0.70 -0.57 103.07 106.34 3ipi h GLY 204 Ca 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3ipi h GLY 204 CO -0.01 0.31 0.37 -0.57 0.00 0.00 0.00 176.54 176.64 3ipi h ASN 205 N 0.90 0.99 0.19 0.19 -0.73 -0.78 0.57 115.58 116.90 3ipi h ASN 205 Ca 0.27 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 3ipi h ASN 205 Cb -0.03 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.31 3ipi h ASN 205 CO -0.09 0.84 -0.09 0.00 -0.37 0.00 0.00 177.43 177.73 3ipi h ALA 206 N 1.19 -0.25 -0.09 1.57 0.00 -0.68 -1.38 119.26 119.62 3ipi h ALA 206 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ipi h ALA 206 Cb 0.11 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ipi h ALA 206 CO -0.03 -0.59 0.05 1.25 0.00 0.00 0.00 179.25 179.92 3ipi h LEU 207 N -0.35 0.10 -1.01 0.00 5.85 -0.97 -1.99 115.31 116.95 3ipi h LEU 207 Ca -0.03 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ipi h LEU 207 Cb 0.27 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3ipi h LEU 207 CO 0.04 0.13 0.65 1.23 -0.34 0.00 0.00 178.44 180.15 3ipi h GLY 208 N 0.07 1.52 0.76 3.75 0.00 -0.85 0.24 103.07 108.56 3ipi h GLY 208 Ca 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3ipi h GLY 208 CO -0.01 0.36 0.01 -0.84 0.00 0.00 0.00 176.54 176.06 3ipi h THR 209 N 1.21 1.23 -0.79 4.70 2.02 -1.03 -1.37 112.91 118.88 3ipi h THR 209 Ca 0.43 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3ipi h THR 209 Cb 0.12 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 3ipi h THR 209 CO -0.16 0.19 0.52 0.00 0.37 0.00 0.00 175.52 176.44 3ipi h ALA 210 N 0.75 1.01 -0.16 6.16 0.00 -0.93 -1.85 119.26 124.23 3ipi h ALA 210 Ca 0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ipi h ALA 210 Cb 0.30 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ipi h ALA 210 CO 0.00 0.40 -0.07 -0.92 0.00 0.00 0.00 179.25 178.66 3ipi h TYR 211 N 1.06 -0.15 -0.48 0.00 3.20 -0.36 -1.24 116.97 118.99 3ipi h TYR 211 Ca 0.29 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 3ipi h TYR 211 Cb -0.10 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3ipi h TYR 211 CO -0.02 -0.11 -0.01 0.37 -1.64 0.00 0.00 178.16 176.75 3ipi h GLN 212 N -0.04 0.86 -0.91 1.82 5.75 -0.93 -1.87 115.11 119.79 3ipi h GLN 212 Ca 0.09 -0.28 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3ipi h GLN 212 Cb 0.17 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 3ipi h GLN 212 CO -0.19 0.90 0.60 0.82 -2.65 0.00 0.00 178.83 178.31 3ipi h ILE 213 N 0.71 1.22 -0.25 2.39 2.04 -1.17 0.16 117.51 122.61 3ipi h ILE 213 Ca 0.14 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3ipi h ILE 213 Cb 0.52 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3ipi h ILE 213 CO 0.03 0.22 0.16 0.58 0.00 0.00 0.00 178.15 179.14 3ipi h VAL 214 N 1.22 1.06 -0.96 1.67 2.07 -1.00 0.11 116.25 120.42 3ipi h VAL 214 Ca 0.34 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3ipi h VAL 214 Cb -0.13 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3ipi h VAL 214 CO -0.08 0.06 0.63 0.44 0.02 0.00 0.00 177.57 178.64 3ipi h ASP 215 N 0.33 1.03 0.29 0.57 3.32 -0.46 -1.36 116.42 120.15 3ipi h ASP 215 Ca 0.09 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3ipi h ASP 215 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3ipi h ASP 215 CO -0.03 0.70 -0.48 0.44 -1.72 0.00 0.00 179.24 178.15 3ipi h ASP 216 N 1.19 0.25 -0.21 6.45 3.32 -0.01 -1.51 116.42 125.90 3ipi h ASP 216 Ca 0.39 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3ipi h ASP 216 Cb 0.05 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3ipi h ASP 216 CO -0.13 0.70 -0.06 0.40 -1.72 0.00 0.00 179.24 178.43 3ipi h ILE 217 N 0.19 1.29 -0.83 0.35 2.04 0.09 0.12 117.51 120.76 3ipi h ILE 217 Ca 0.01 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3ipi h ILE 217 Cb 0.93 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3ipi h ILE 217 CO 0.07 0.33 0.39 -0.07 0.00 0.00 0.00 178.15 178.87 3ipi h LEU 218 N 0.13 1.09 -0.61 1.44 3.38 -1.20 -1.33 115.31 118.20 3ipi h LEU 218 Ca 0.05 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3ipi h LEU 218 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ipi h LEU 218 CO 0.02 0.92 0.11 -0.08 0.09 0.00 0.00 178.44 179.51 3ipi h GLU 219 N 1.18 1.00 -0.83 1.13 4.81 -1.14 -2.09 114.58 118.65 3ipi h GLU 219 Ca 0.28 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3ipi h GLU 219 Cb 0.13 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3ipi h GLU 219 CO -0.03 0.94 0.47 0.35 -0.73 0.00 0.00 179.01 180.00 3ipi h PHE 220 N 0.91 1.13 0.00 0.92 3.57 -0.48 -2.13 116.94 120.86 3ipi h PHE 220 Ca 0.19 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 3ipi h PHE 220 Cb 0.41 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3ipi h PHE 220 CO 0.03 0.78 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.50 3ipi h LEU 221 N 1.15 0.00 -0.60 0.59 3.38 -0.98 -2.20 115.31 116.66 3ipi h LEU 221 Ca 0.29 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 3ipi h LEU 221 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ipi h LEU 221 CO -0.05 0.33 -0.50 -0.33 0.09 0.00 0.00 178.44 177.98 3ipi h GLU 222 N 0.00 0.52 -0.07 1.13 5.08 -0.74 -1.33 114.58 119.17 3ipi h GLU 222 Ca -0.00 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 3ipi h GLU 222 Cb 0.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3ipi h GLU 222 CO 0.04 0.90 -0.47 0.28 -1.00 0.00 0.00 179.01 178.76 3ipi h VAL 223 N 0.41 1.34 -0.16 3.13 2.07 -1.04 -1.21 116.25 120.79 3ipi h VAL 223 Ca 0.02 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.74 3ipi h VAL 223 Cb 1.02 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3ipi h VAL 223 CO 0.09 0.49 -0.48 0.58 0.02 0.00 0.00 177.57 178.27 3ipi h VAL 224 N 0.13 1.33 0.00 2.57 2.07 -1.04 -2.31 116.25 118.99 3ipi h VAL 224 Ca 0.01 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 3ipi h VAL 224 Cb 0.89 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3ipi h VAL 224 CO 0.07 0.52 -0.29 -0.08 0.02 0.00 0.00 177.57 177.82 3ipi h GLU 225 N 0.34 0.00 0.00 1.57 4.81 -0.84 -3.51 114.58 116.95 3ipi h GLU 225 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3ipi h GLU 225 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3ipi h GLU 225 CO 0.08 0.29 0.00 0.41 -0.73 0.00 0.00 179.01 179.06 3ipi n GLY 226 N 0.40 0.75 3.86 1.92 0.00 -0.49 -5.09 105.19 106.54 3ipi n GLY 226 Ca 0.01 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3ipi n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ipi s GLU 234 N -0.94 3.91 0.19 1.61 2.02 -1.26 -4.97 118.70 119.26 3ipi s GLU 234 Ca 0.00 0.47 0.09 0.00 0.02 0.00 0.00 54.97 55.56 3ipi s GLU 234 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 3ipi s GLU 234 CO 0.00 0.25 -0.19 0.95 0.02 0.00 0.00 175.26 176.29 3ipi s THR 235 N -1.87 1.99 0.17 3.63 -4.23 -1.26 -5.06 115.64 109.02 3ipi s THR 235 Ca 0.50 -2.05 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 3ipi s THR 235 Cb -0.11 -1.98 0.08 0.00 1.34 0.00 0.00 72.50 71.82 3ipi s THR 235 CO 0.19 -0.33 1.72 0.25 -0.54 0.00 0.00 174.62 175.92 3ipi h LEU 236 N 3.01 0.02 -1.16 4.79 5.85 -1.92 -1.17 115.31 124.73 3ipi h LEU 236 Ca -0.42 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3ipi h LEU 236 Cb 1.22 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 3ipi h LEU 236 CO 0.53 0.04 0.58 -0.65 -0.34 0.00 0.00 178.44 178.60 3ipi h PRO 237 N 0.23 1.06 -0.51 5.25 0.11 -1.90 -1.21 132.00 135.04 3ipi h PRO 237 Ca 0.22 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 3ipi h PRO 237 Cb 0.27 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3ipi h PRO 237 CO -0.28 0.70 -0.13 1.25 -0.21 0.00 0.00 178.00 179.33 3ipi h HIS 238 N 1.10 1.10 -0.50 0.65 -0.00 -1.77 -3.06 115.15 112.66 3ipi h HIS 238 Ca 0.35 -0.23 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3ipi h HIS 238 Cb 0.02 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 3ipi h HIS 238 CO -0.00 1.04 0.26 0.82 -0.00 0.00 0.00 177.93 180.05 3ipi h ILE 239 N 0.87 1.18 0.00 6.26 1.08 -0.34 -3.23 117.51 123.33 3ipi h ILE 239 Ca 0.13 -0.47 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 3ipi h ILE 239 Cb 0.69 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 3ipi h ILE 239 CO 0.05 0.19 0.10 -1.22 -0.69 0.00 0.00 178.15 176.58 3ipi n TYR 240 N -4.64 0.00 -0.12 1.37 4.01 -0.54 -4.51 117.16 112.72 3ipi n TYR 240 Ca 0.02 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 3ipi n TYR 240 Cb 0.09 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 3ipi n TYR 240 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3ipi n LYS 242 N 2.52 0.00 0.00 -0.72 5.02 -1.22 -1.56 118.16 122.20 3ipi n LYS 242 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3ipi n LYS 242 Cb 0.33 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 3ipi n LYS 242 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3ipi n SER 243 N 0.00 0.00 -3.73 4.39 3.41 -1.26 -5.14 113.62 111.28 3ipi n SER 243 Ca 0.00 -0.73 -0.12 0.00 -0.26 0.00 0.00 58.87 57.76 3ipi n SER 243 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3ipi n SER 243 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ipi s THR 244 N 0.00 0.00 1.03 6.66 -1.32 -0.60 -5.16 115.64 116.24 3ipi s THR 244 Ca 0.00 -1.61 -0.12 0.00 -1.21 0.00 0.00 61.69 58.75 3ipi s THR 244 Cb 0.00 -2.44 0.18 0.00 -1.51 0.00 0.00 72.50 68.73 3ipi s THR 244 CO 0.00 0.00 0.94 -0.24 -2.21 0.00 0.00 174.62 173.11 3ipi n SER 245 N -0.78 -0.83 0.31 8.08 2.88 -1.26 -4.79 113.62 117.22 3ipi n SER 245 Ca 0.00 0.17 -0.15 0.00 -1.33 0.00 0.00 58.87 57.56 3ipi n SER 245 Cb 0.63 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.67 3ipi n SER 245 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3ipi h LYS 246 N -2.15 -0.77 -0.80 -1.46 3.64 -1.97 -0.35 116.57 112.71 3ipi h LYS 246 Ca -0.50 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3ipi h LYS 246 Cb 1.30 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 3ipi h LYS 246 CO 0.43 -0.46 0.36 1.49 -2.27 0.00 0.00 179.45 179.00 3ipi h GLU 247 N -1.03 1.17 -0.76 1.90 4.81 -1.99 -1.27 114.58 117.42 3ipi h GLU 247 Ca -0.08 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3ipi h GLU 247 Cb 0.67 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3ipi h GLU 247 CO 0.13 0.92 0.43 1.49 -0.73 0.00 0.00 179.01 181.25 3ipi h GLU 248 N 1.14 1.04 -0.61 1.92 4.57 -1.93 0.44 114.58 121.15 3ipi h GLU 248 Ca 0.27 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3ipi h GLU 248 Cb 0.15 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3ipi h GLU 248 CO -0.03 0.75 0.18 0.00 -1.18 0.00 0.00 179.01 178.73 3ipi h ALA 249 N 1.42 1.17 -0.19 2.92 0.00 -0.30 -0.89 119.26 123.40 3ipi h ALA 249 Ca 0.27 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ipi h ALA 249 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3ipi h ALA 249 CO -0.05 0.57 -0.46 -0.07 0.00 0.00 0.00 179.25 179.24 3ipi h LEU 250 N 0.89 0.74 -0.45 0.00 3.38 -0.03 -2.25 115.31 117.59 3ipi h LEU 250 Ca 0.20 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.62 3ipi h LEU 250 Cb 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ipi h LEU 250 CO -0.01 1.17 0.26 0.50 0.09 0.00 0.00 178.44 180.46 3ipi h LYS 251 N 0.34 0.51 0.00 1.13 3.64 0.12 0.15 116.57 122.46 3ipi h LYS 251 Ca -0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 3ipi h LYS 251 Cb 1.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3ipi h LYS 251 CO 0.10 0.34 -0.35 0.87 -2.27 0.00 0.00 179.45 178.14 3ipi h LYS 252 N 0.52 0.00 -0.13 1.90 1.57 -1.19 -0.97 116.57 118.27 3ipi h LYS 252 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3ipi h LYS 252 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3ipi h LYS 252 CO -0.09 0.35 -0.34 0.77 -0.57 0.00 0.00 179.45 179.56 3ipi h SER 253 N 0.00 0.53 -0.04 0.86 0.02 -0.72 -2.06 113.55 112.14 3ipi h SER 253 Ca -0.00 -0.59 -0.10 0.00 -0.84 0.00 0.00 61.79 60.26 3ipi h SER 253 Cb 0.78 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3ipi h SER 253 CO 0.05 1.02 -0.29 0.40 -1.14 0.00 0.00 176.83 176.87 3ipi h ILE 254 N 0.06 1.27 -0.11 3.27 2.04 -0.85 -1.79 117.51 121.40 3ipi h ILE 254 Ca -0.01 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 3ipi h ILE 254 Cb 0.96 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3ipi h ILE 254 CO 0.07 0.42 -0.24 0.44 0.00 0.00 0.00 178.15 178.85 3ipi h ASP 255 N 0.42 0.19 -0.41 1.72 3.32 -1.14 -0.97 116.42 119.55 3ipi h ASP 255 Ca 0.06 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3ipi h ASP 255 Cb 0.72 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3ipi h ASP 255 CO 0.05 0.44 -0.18 0.00 -1.72 0.00 0.00 179.24 177.83 3ipi h VAL 257 N 0.79 1.18 -0.64 0.00 2.07 -0.63 -2.59 116.25 116.42 3ipi h VAL 257 Ca 0.11 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3ipi h VAL 257 Cb 0.72 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3ipi h VAL 257 CO 0.05 0.14 0.42 0.11 0.02 0.00 0.00 177.57 178.32 3ipi h LYS 258 N -0.22 0.80 -0.21 1.57 1.57 -1.10 -0.24 116.57 118.73 3ipi h LYS 258 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ipi h LYS 258 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3ipi h LYS 258 CO 0.00 0.53 0.11 1.25 -0.57 0.00 0.00 179.45 180.77 3ipi h LEU 259 N 0.82 0.26 -0.55 2.94 5.85 -1.05 -0.17 115.31 123.41 3ipi h LEU 259 Ca 0.24 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 3ipi h LEU 259 Cb -0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3ipi h LEU 259 CO -0.06 0.27 -0.69 0.45 -0.34 0.00 0.00 178.44 178.07 3ipi h HIS 260 N 0.23 0.00 -0.38 1.25 3.86 -1.06 -1.19 115.15 117.87 3ipi h HIS 260 Ca 0.07 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 3ipi h HIS 260 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3ipi h HIS 260 CO -0.04 0.69 -0.30 0.28 0.86 0.00 0.00 177.93 179.43 3ipi h VAL 261 N 0.00 1.28 -0.61 2.45 2.07 -0.92 -0.44 116.25 120.07 3ipi h VAL 261 Ca -0.01 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 3ipi h VAL 261 Cb 1.27 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 3ipi h VAL 261 CO 0.09 0.49 0.20 0.00 0.02 0.00 0.00 177.57 178.36 3ipi h ALA 262 N 0.78 0.80 -0.73 1.67 0.00 -0.88 -0.85 119.26 120.05 3ipi h ALA 262 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ipi h ALA 262 Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ipi h ALA 262 CO 0.08 0.47 0.35 0.00 0.00 0.00 0.00 179.25 180.14 3ipi h ALA 263 N 1.07 0.94 -0.25 0.00 0.00 -1.02 -0.29 119.26 119.69 3ipi h ALA 263 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ipi h ALA 263 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ipi h ALA 263 CO -0.01 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.85 3ipi h ALA 264 N 1.17 0.33 -0.34 0.00 0.00 -0.62 -2.59 119.26 117.21 3ipi h ALA 264 Ca 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3ipi h ALA 264 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ipi h ALA 264 CO -0.03 -0.08 -0.17 0.87 0.00 0.00 0.00 179.25 179.84 3ipi h LYS 265 N 0.26 0.62 -0.70 0.00 1.57 -0.97 -1.00 116.57 116.35 3ipi h LYS 265 Ca 0.09 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3ipi h LYS 265 Cb 0.17 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 3ipi h LYS 265 CO -0.01 0.76 0.42 1.49 -0.57 0.00 0.00 179.45 181.54 3ipi h GLU 266 N 0.56 0.77 -0.13 3.15 4.22 -0.88 -0.32 114.58 121.94 3ipi h GLU 266 Ca 0.09 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.42 3ipi h GLU 266 Cb 0.60 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ipi h GLU 266 CO 0.04 0.51 -0.18 1.15 -2.18 0.00 0.00 179.01 178.35 3ipi h THR 267 N 0.79 1.36 -0.92 0.32 2.02 -1.15 -3.15 112.91 112.18 3ipi h THR 267 Ca 0.30 -1.40 0.14 0.00 0.77 0.00 0.00 66.41 66.22 3ipi h THR 267 Cb 0.11 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 3ipi h THR 267 CO -0.15 0.41 0.59 -0.07 0.37 0.00 0.00 175.52 176.67 3ipi h LEU 268 N -0.03 0.72 -1.83 2.58 3.38 -0.68 -0.11 115.31 119.34 3ipi h LEU 268 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ipi h LEU 268 Cb 0.74 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ipi h LEU 268 CO 0.04 0.36 0.00 -0.33 0.09 0.00 0.00 178.44 178.61 3ipi h GLU 269 N 0.76 0.00 -0.00 1.13 4.39 -1.02 -1.53 114.58 118.30 3ipi h GLU 269 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3ipi h GLU 269 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3ipi h GLU 269 CO -0.22 0.00 -0.20 0.25 -1.16 0.00 0.00 179.01 177.68 3ipi n THR 270 N -2.60 0.00 -3.15 1.13 -2.24 -0.05 -4.91 114.28 102.46 3ipi n THR 270 Ca -0.01 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 3ipi n THR 270 Cb 0.10 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3ipi n THR 270 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3ipi s PHE 271 N -2.56 3.34 0.10 4.78 0.08 -0.58 -5.02 117.98 118.12 3ipi s PHE 271 Ca 0.25 0.28 -0.35 0.00 0.12 0.00 0.00 56.93 57.22 3ipi s PHE 271 Cb 0.19 -2.14 -0.15 0.00 -0.57 0.00 0.00 43.02 40.36 3ipi s PHE 271 CO 0.52 -0.15 1.52 -2.13 -0.10 0.00 0.00 175.22 174.87 3ipi n ARG 272 N -1.95 1.74 -2.31 0.44 0.63 -1.26 -4.90 116.66 109.05 3ipi n ARG 272 Ca -0.01 0.63 -0.43 0.00 -0.92 0.00 0.00 57.85 57.12 3ipi n ARG 272 Cb 0.57 -2.35 -0.02 0.00 0.45 0.00 0.00 32.46 31.10 3ipi n ARG 272 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3ipi s GLU 273 N 1.06 4.25 0.10 -0.14 2.12 -1.26 -4.68 118.70 120.15 3ipi s GLU 273 Ca 0.83 1.82 -0.26 0.00 0.36 0.00 0.00 54.97 57.71 3ipi s GLU 273 Cb -0.80 -3.74 0.09 0.00 0.26 0.00 0.00 34.13 29.94 3ipi s GLU 273 CO 0.43 -0.67 1.10 0.00 -0.54 0.00 0.00 175.26 175.58 3ipi h PRO 275 N 2.00 1.02 -0.84 0.00 0.11 -1.99 -1.14 132.00 131.15 3ipi h PRO 275 Ca -0.27 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 3ipi h PRO 275 Cb 1.22 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3ipi h PRO 275 CO 0.29 0.67 0.41 0.00 -0.21 0.00 0.00 178.00 179.16 3ipi h ALA 276 N 1.50 1.13 -0.51 -0.75 0.00 -1.95 0.66 119.26 119.34 3ipi h ALA 276 Ca 0.41 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3ipi h ALA 276 Cb 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ipi h ALA 276 CO -0.17 0.66 -0.09 -0.09 0.00 0.00 0.00 179.25 179.56 3ipi h ARG 277 N 1.20 0.96 -0.99 0.00 2.43 -1.61 -1.43 114.38 114.94 3ipi h ARG 277 Ca 0.29 -0.35 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3ipi h ARG 277 Cb 0.11 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3ipi h ARG 277 CO -0.04 1.02 0.64 -0.44 -1.51 0.00 0.00 179.97 179.64 3ipi h ASP 278 N 0.82 1.04 -0.16 -3.80 3.32 -0.47 -1.22 116.42 115.95 3ipi h ASP 278 Ca 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3ipi h ASP 278 Cb 0.64 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3ipi h ASP 278 CO 0.04 0.69 -0.15 0.11 -1.72 0.00 0.00 179.24 178.21 3ipi h LYS 279 N 1.20 0.55 -0.46 3.56 1.57 -0.44 -1.38 116.57 121.16 3ipi h LYS 279 Ca 0.41 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3ipi h LYS 279 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3ipi h LYS 279 CO -0.15 0.68 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.31 3ipi h LEU 280 N 0.50 0.75 -0.45 2.94 3.38 -0.17 0.16 115.31 122.42 3ipi h LEU 280 Ca 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3ipi h LEU 280 Cb 0.55 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3ipi h LEU 280 CO 0.04 0.84 0.05 -0.26 0.09 0.00 0.00 178.44 179.20 3ipi h PHE 281 N 0.72 0.81 -0.40 1.13 -1.00 -0.84 -1.11 116.94 116.24 3ipi h PHE 281 Ca 0.14 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3ipi h PHE 281 Cb 0.49 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 3ipi h PHE 281 CO 0.03 0.77 0.23 1.96 -1.61 0.00 0.00 178.31 179.69 3ipi h GLN 282 N 0.61 0.46 -0.72 1.51 4.20 -0.73 -2.37 115.11 118.07 3ipi h GLN 282 Ca 0.13 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3ipi h GLN 282 Cb 0.41 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3ipi h GLN 282 CO 0.01 0.31 0.37 0.82 -0.67 0.00 0.00 178.83 179.67 3ipi h ILE 283 N 0.48 1.23 -0.30 2.54 2.04 -0.84 0.32 117.51 122.97 3ipi h ILE 283 Ca 0.16 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3ipi h ILE 283 Cb 0.01 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 3ipi h ILE 283 CO -0.07 0.26 -0.04 0.74 0.00 0.00 0.00 178.15 179.04 3ipi h THR 284 N 1.00 0.74 -0.29 -0.27 2.02 -0.76 -1.63 112.91 113.72 3ipi h THR 284 Ca 0.25 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 67.26 3ipi h THR 284 Cb 0.08 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3ipi h THR 284 CO -0.04 0.01 -0.44 0.44 0.37 0.00 0.00 175.52 175.86 3ipi h ASP 285 N 0.04 0.89 -0.54 4.18 3.32 -1.22 -3.07 116.42 120.02 3ipi h ASP 285 Ca 0.14 -0.51 0.09 0.00 0.02 0.00 0.00 57.03 56.77 3ipi h ASP 285 Cb 0.21 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 3ipi h ASP 285 CO -0.28 1.23 0.15 0.22 -1.72 0.00 0.00 179.24 178.85 3ipi h TYR 286 N 0.58 0.26 -0.24 4.55 3.20 -0.47 -1.39 116.97 123.46 3ipi h TYR 286 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3ipi h TYR 286 Cb 1.04 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3ipi h TYR 286 CO 0.07 0.04 0.00 0.44 -1.64 0.00 0.00 178.16 177.07 3ipi n ILE 287 N -5.06 0.30 0.00 1.81 -5.35 -0.65 -4.45 119.36 105.95 3ipi n ILE 287 Ca 0.07 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3ipi n ILE 287 Cb 0.26 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 3ipi n ILE 287 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ipi n THR 288 N 0.81 0.00 -0.20 7.28 -2.24 -1.06 -4.66 114.28 114.21 3ipi n THR 288 Ca 0.17 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.98 3ipi n THR 288 Cb 0.45 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.97 3ipi n THR 288 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3ipi h VAL 289 N 0.00 1.13 0.00 2.28 -1.51 -1.77 -3.21 116.25 113.17 3ipi h VAL 289 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3ipi h VAL 289 Cb 0.00 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.29 3ipi h VAL 289 CO 0.00 0.17 0.00 0.47 -1.23 0.00 0.00 177.57 176.98 3ipi n ASP 290 N -4.45 0.37 -0.50 4.19 8.00 -0.55 -3.79 116.55 119.82 3ipi n ASP 290 Ca 0.09 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.54 3ipi n ASP 290 Cb 0.10 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3ipi n ASP 290 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ipi n LEU 292 N 1.91 0.00 -0.17 0.64 4.77 -1.21 -5.08 117.00 117.86 3ipi n LEU 292 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3ipi n LEU 292 Cb 0.04 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3ipi n LEU 292 CO 0.00 0.00 0.32 -0.62 -1.33 0.00 0.00 177.39 175.76