#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rap n ARG 2 N 0.00 -2.64 -3.19 0.03 1.85 -1.26 -5.12 116.66 106.34 3rap n ARG 2 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 3rap n ARG 2 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 3rap n ARG 2 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3rap s GLU 3 N -1.76 4.32 -0.25 2.89 2.12 -1.26 -4.00 118.70 120.76 3rap s GLU 3 Ca 0.00 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.14 3rap s GLU 3 Cb 0.00 -3.30 0.04 0.00 0.26 0.00 0.00 34.13 31.13 3rap s GLU 3 CO 0.00 0.46 -0.09 0.71 -0.54 0.00 0.00 175.26 175.80 3rap s TYR 4 N -0.55 3.15 -0.53 5.30 1.51 -0.67 -5.02 117.35 120.54 3rap s TYR 4 Ca 0.31 -1.97 -0.18 0.00 -1.01 0.00 0.00 57.07 54.22 3rap s TYR 4 Cb -0.19 -1.99 0.08 0.00 -0.11 0.00 0.00 41.96 39.75 3rap s TYR 4 CO 0.19 -0.82 0.62 0.15 -1.11 0.00 0.00 175.55 174.58 3rap s LYS 5 N 1.21 3.08 -0.14 -0.62 1.02 -1.26 -0.57 119.74 122.45 3rap s LYS 5 Ca -0.04 -1.11 -0.06 0.00 0.02 0.00 0.00 55.97 54.78 3rap s LYS 5 Cb -0.18 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 32.93 3rap s LYS 5 CO -0.05 -1.30 0.06 0.08 -0.92 0.00 0.00 175.35 173.21 3rap s VAL 6 N 2.49 4.81 -0.14 3.17 1.01 0.14 -0.23 120.40 131.65 3rap s VAL 6 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 3rap s VAL 6 Cb -0.22 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3rap s VAL 6 CO 0.09 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.97 3rap s VAL 7 N -0.34 3.54 -0.24 2.92 1.01 0.38 -0.63 120.40 127.03 3rap s VAL 7 Ca 0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3rap s VAL 7 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3rap s VAL 7 CO 0.02 0.51 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 3rap s VAL 8 N 0.31 5.00 0.17 2.92 1.01 -0.29 -1.16 120.40 128.36 3rap s VAL 8 Ca -0.06 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.06 3rap s VAL 8 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3rap s VAL 8 CO 0.04 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.53 3rap s LEU 9 N 1.28 2.45 0.00 3.92 1.43 -0.04 -3.24 118.68 124.48 3rap s LEU 9 Ca 0.06 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3rap s LEU 9 Cb -0.14 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.20 3rap s LEU 9 CO 0.06 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3rap n GLY 10 N 0.24 2.17 3.85 -3.19 0.00 -1.26 -0.81 105.19 106.19 3rap n GLY 10 Ca -0.13 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 3rap n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3rap s SER 11 N 0.00 3.60 0.47 1.61 0.01 -1.26 -4.25 113.70 113.88 3rap s SER 11 Ca 0.00 0.71 -0.24 0.00 1.31 0.00 0.00 55.95 57.73 3rap s SER 11 Cb 0.00 -1.11 -0.07 0.00 0.21 0.00 0.00 66.02 65.04 3rap s SER 11 CO 0.00 -2.47 1.42 -0.83 0.41 0.00 0.00 173.24 171.77 3rap s GLY 12 N -4.42 2.91 0.00 3.44 0.00 -1.18 -2.81 107.32 105.27 3rap s GLY 12 Ca 0.66 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.83 3rap s GLY 12 CO 0.52 2.04 0.00 0.61 0.00 0.00 0.00 173.10 176.27 3rap n GLY 13 N 0.61 0.14 0.15 0.20 0.00 -1.26 -4.84 105.19 100.18 3rap n GLY 13 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3rap n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3rap h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.46 116.25 110.99 3rap h VAL 14 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3rap h VAL 14 Cb 0.69 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3rap h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3rap n GLY 15 N 0.02 1.28 0.32 5.19 0.00 -1.26 -4.53 105.19 106.20 3rap n GLY 15 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3rap n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3rap h LYS 16 N 0.00 -0.31 -0.41 1.61 1.57 -1.90 0.11 116.57 117.25 3rap h LYS 16 Ca 0.00 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3rap h LYS 16 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3rap h LYS 16 CO 0.00 -0.20 -0.06 0.77 -0.57 0.00 0.00 179.45 179.39 3rap h SER 17 N -0.32 0.67 -0.11 0.86 0.02 -1.96 -2.21 113.55 110.51 3rap h SER 17 Ca 0.13 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3rap h SER 17 Cb 0.52 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3rap h SER 17 CO -0.42 0.78 -0.33 0.00 -1.14 0.00 0.00 176.83 175.72 3rap h ALA 18 N 1.29 0.90 0.17 3.77 0.00 -1.86 -0.40 119.26 123.13 3rap h ALA 18 Ca 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3rap h ALA 18 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3rap h ALA 18 CO 0.03 0.62 -0.08 -0.07 0.00 0.00 0.00 179.25 179.75 3rap h LEU 19 N 0.51 -0.19 -0.47 0.00 3.38 -0.73 -0.35 115.31 117.46 3rap h LEU 19 Ca 0.06 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3rap h LEU 19 Cb 0.82 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 3rap h LEU 19 CO 0.07 0.15 0.22 0.74 0.09 0.00 0.00 178.44 179.70 3rap h THR 20 N -0.55 0.94 -0.20 0.22 2.02 -1.34 -1.64 112.91 112.36 3rap h THR 20 Ca -0.02 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3rap h THR 20 Cb 0.42 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3rap h THR 20 CO 0.04 0.08 -0.24 0.58 0.37 0.00 0.00 175.52 176.34 3rap h VAL 21 N 0.44 1.25 -0.09 3.16 2.07 -1.06 -0.43 116.25 121.59 3rap h VAL 21 Ca 0.21 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3rap h VAL 21 Cb 0.14 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3rap h VAL 21 CO -0.16 0.37 0.04 -0.61 0.02 0.00 0.00 177.57 177.23 3rap h GLN 22 N 0.33 0.13 -0.79 1.57 5.75 -0.55 0.56 115.11 122.12 3rap h GLN 22 Ca 0.05 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.59 3rap h GLN 22 Cb 0.61 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.08 3rap h GLN 22 CO 0.04 0.21 0.47 0.35 -2.65 0.00 0.00 178.83 177.25 3rap h PHE 23 N 0.02 0.87 0.21 3.99 3.57 -0.72 -0.08 116.94 124.81 3rap h PHE 23 Ca 0.03 0.03 -0.34 0.00 3.53 0.00 0.00 57.97 61.22 3rap h PHE 23 Cb 0.12 -0.28 0.02 0.00 2.79 0.00 0.00 35.95 38.61 3rap h PHE 23 CO -0.03 0.43 -1.59 0.28 -2.23 0.00 0.00 178.31 175.17 3rap h VAL 24 N 0.86 1.13 -0.00 1.41 2.07 -0.89 -3.39 116.25 117.43 3rap h VAL 24 Ca 0.35 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3rap h VAL 24 Cb 0.18 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3rap h VAL 24 CO -0.18 0.84 -0.38 0.35 0.02 0.00 0.00 177.57 178.21 3rap n THR 25 N -3.63 0.00 -2.16 2.57 -2.24 0.17 -4.99 114.28 104.00 3rap n THR 25 Ca -0.20 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 3rap n THR 25 Cb 1.08 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 70.31 3rap n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3rap n GLY 26 N 1.16 0.09 3.30 3.38 0.00 -0.04 -5.01 105.19 108.08 3rap n GLY 26 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3rap n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3rap s THR 27 N -2.83 1.67 -0.21 2.61 2.01 -1.26 -5.01 115.64 112.61 3rap s THR 27 Ca 0.00 -1.85 -0.05 0.00 0.31 0.00 0.00 61.69 60.10 3rap s THR 27 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 3rap s THR 27 CO 0.00 -0.34 0.01 0.12 -0.69 0.00 0.00 174.62 173.72 3rap s PHE 28 N -2.05 3.04 -0.03 4.92 5.36 -1.26 -3.26 117.98 124.70 3rap s PHE 28 Ca 0.13 -0.51 -0.30 0.00 -0.96 0.00 0.00 56.93 55.29 3rap s PHE 28 Cb -0.06 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.48 3rap s PHE 28 CO 0.05 -0.30 0.99 0.42 -1.46 0.00 0.00 175.22 174.92 3rap s ILE 29 N 1.18 4.84 -0.19 3.12 1.01 -1.26 -4.93 121.20 124.96 3rap s ILE 29 Ca 0.03 2.05 0.16 0.00 0.00 0.00 0.00 60.65 62.90 3rap s ILE 29 Cb -0.14 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.77 3rap s ILE 29 CO 0.01 0.12 0.09 -0.62 0.00 0.00 0.00 174.94 174.54 3rap n GLU 30 N 4.19 0.68 -2.09 2.79 1.02 -1.26 -4.93 120.64 121.04 3rap n GLU 30 Ca 0.07 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 3rap n GLU 30 Cb 0.50 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 3rap n GLU 30 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3rap s LYS 31 N -2.50 3.74 -0.38 3.49 3.01 -1.26 -5.04 119.74 120.80 3rap s LYS 31 Ca -0.11 0.82 -0.12 0.00 -1.01 0.00 0.00 55.97 55.55 3rap s LYS 31 Cb 0.06 -2.11 0.02 0.00 -1.01 0.00 0.00 37.83 34.80 3rap s LYS 31 CO 0.81 -0.44 0.23 -0.47 0.51 0.00 0.00 175.35 175.99 3rap s TYR 32 N -2.95 3.24 -0.29 3.18 5.04 -1.26 -5.03 117.35 119.28 3rap s TYR 32 Ca 0.56 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 3rap s TYR 32 Cb -0.11 -2.48 0.06 0.00 0.35 0.00 0.00 41.96 39.78 3rap s TYR 32 CO 0.45 -0.61 -0.04 0.34 -1.34 0.00 0.00 175.55 174.35 3rap s ASP 33 N 1.59 4.73 0.28 4.32 -1.08 -1.26 -5.10 116.67 120.15 3rap s ASP 33 Ca 0.03 -1.36 -0.30 0.00 -0.52 0.00 0.00 52.55 50.40 3rap s ASP 33 Cb -0.19 -1.65 -0.13 0.00 -1.46 0.00 0.00 42.92 39.49 3rap s ASP 33 CO 0.08 -0.24 1.35 -2.65 0.52 0.00 0.00 175.17 174.22 3rap n PRO 34 N 4.54 2.06 -3.42 4.34 -0.02 -1.26 -4.96 135.00 136.28 3rap n PRO 34 Ca -0.13 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 3rap n PRO 34 Cb 0.43 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 3rap n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3rap s THR 35 N -0.52 4.93 0.00 3.45 2.01 -1.26 -5.01 115.64 119.23 3rap s THR 35 Ca 0.62 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.53 3rap s THR 35 Cb -0.62 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.13 3rap s THR 35 CO 0.55 0.49 0.00 -0.38 -0.69 0.00 0.00 174.62 174.59 3rap n ILE 36 N 1.54 0.00 -3.19 1.82 2.08 -1.26 -4.27 119.36 116.09 3rap n ILE 36 Ca -0.11 0.41 0.04 0.00 0.56 0.00 0.00 62.75 63.66 3rap n ILE 36 Cb 0.52 -1.30 -0.02 0.00 -0.75 0.00 0.00 39.64 38.09 3rap n ILE 36 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3rap s GLU 37 N -0.83 0.33 -0.03 0.38 2.12 -1.26 -3.69 118.70 115.73 3rap s GLU 37 Ca 0.00 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.00 3rap s GLU 37 Cb 0.00 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 3rap s GLU 37 CO 0.00 -0.33 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.69 3rap s ASP 38 N 2.87 2.30 -0.06 -1.70 1.01 -0.92 -5.01 116.67 115.15 3rap s ASP 38 Ca 0.06 -0.36 0.04 0.00 0.71 0.00 0.00 52.55 52.99 3rap s ASP 38 Cb -0.11 -0.41 -0.02 0.00 1.01 0.00 0.00 42.92 43.39 3rap s ASP 38 CO -0.15 0.21 -0.17 -0.36 0.21 0.00 0.00 175.17 174.92 3rap s PHE 39 N -0.28 2.65 0.18 4.23 0.40 -1.26 -0.92 117.98 122.98 3rap s PHE 39 Ca 0.03 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 3rap s PHE 39 Cb -0.09 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 3rap s PHE 39 CO 0.00 0.06 -0.06 0.71 0.70 0.00 0.00 175.22 176.63 3rap s TYR 40 N -0.49 1.36 -0.02 0.36 1.51 -0.21 -4.97 117.35 114.89 3rap s TYR 40 Ca 0.06 -0.83 -0.02 0.00 -1.01 0.00 0.00 57.07 55.28 3rap s TYR 40 Cb -0.12 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 41.01 3rap s TYR 40 CO 0.01 0.02 0.05 0.50 -1.11 0.00 0.00 175.55 175.03 3rap s ARG 41 N -3.80 0.05 -0.03 -0.62 3.52 -1.26 -0.61 118.95 116.20 3rap s ARG 41 Ca 0.21 0.10 -0.13 0.00 -0.13 0.00 0.00 55.73 55.78 3rap s ARG 41 Cb 0.04 -0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.43 3rap s ARG 41 CO 0.03 -0.03 0.29 0.21 -0.81 0.00 0.00 175.30 174.99 3rap s LYS 42 N 0.20 0.60 0.20 5.12 2.20 -0.14 -4.99 119.74 122.94 3rap s LYS 42 Ca -0.01 -0.14 -0.26 0.00 -0.36 0.00 0.00 55.97 55.19 3rap s LYS 42 Cb -0.02 0.27 -0.08 0.00 -1.51 0.00 0.00 37.83 36.48 3rap s LYS 42 CO -0.01 -0.15 0.84 -1.21 -0.36 0.00 0.00 175.35 174.45 3rap s GLU 43 N -1.13 4.64 0.00 4.03 2.02 -1.26 -0.45 118.70 126.55 3rap s GLU 43 Ca -0.12 1.26 -0.04 0.00 0.02 0.00 0.00 54.97 56.09 3rap s GLU 43 Cb -0.05 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.96 3rap s GLU 43 CO 0.03 0.52 0.06 -1.50 0.02 0.00 0.00 175.26 174.40 3rap s ILE 44 N -1.21 0.07 -0.83 -1.63 2.07 0.33 -4.95 121.20 115.05 3rap s ILE 44 Ca 0.39 -0.61 -0.16 0.00 -1.41 0.00 0.00 60.65 58.85 3rap s ILE 44 Cb -0.23 -0.30 0.18 0.00 0.13 0.00 0.00 42.46 42.24 3rap s ILE 44 CO 0.28 -0.34 0.86 -1.61 -1.91 0.00 0.00 174.94 172.22 3rap s GLU 45 N -1.09 3.54 -0.41 3.50 0.41 -1.26 -0.87 118.70 122.52 3rap s GLU 45 Ca -0.12 -2.14 -0.19 0.00 -0.41 0.00 0.00 54.97 52.11 3rap s GLU 45 Cb -0.07 -4.55 0.02 0.00 -1.78 0.00 0.00 34.13 27.74 3rap s GLU 45 CO 0.00 -1.45 0.52 0.08 -0.49 0.00 0.00 175.26 173.92 3rap s VAL 46 N 1.14 4.98 -1.28 2.63 1.01 -0.18 -4.03 120.40 124.68 3rap s VAL 46 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 3rap s VAL 46 Cb -0.10 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 3rap s VAL 46 CO -0.07 -0.43 0.69 0.47 0.00 0.00 0.00 175.10 175.75 3rap n ASP 47 N 5.86 -2.08 0.00 3.32 8.00 -1.26 -0.85 116.55 129.53 3rap n ASP 47 Ca -0.05 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3rap n ASP 47 Cb 0.48 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 3rap n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3rap n SER 48 N -2.99 0.00 -4.70 -2.24 7.64 -1.26 -4.97 113.62 105.10 3rap n SER 48 Ca -0.25 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.21 3rap n SER 48 Cb 0.66 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 3rap n SER 48 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3rap s SER 49 N -2.03 6.99 0.06 6.43 0.15 -0.03 -4.93 113.70 120.35 3rap s SER 49 Ca 0.00 2.04 -0.31 0.00 0.70 0.00 0.00 55.95 58.38 3rap s SER 49 Cb 0.00 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 3rap s SER 49 CO 0.00 -0.57 1.72 -2.16 1.20 0.00 0.00 173.24 173.43 3rap s PRO 50 N 1.59 4.18 -0.06 5.44 0.04 -1.26 -1.01 135.00 143.92 3rap s PRO 50 Ca 0.60 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 64.03 3rap s PRO 50 Cb -0.30 -3.70 0.03 0.00 0.04 0.00 0.00 34.50 30.57 3rap s PRO 50 CO 0.27 -0.79 0.00 -1.12 0.04 0.00 0.00 177.00 175.41 3rap s SER 51 N 2.78 1.32 -0.51 6.66 0.01 -0.05 -0.15 113.70 123.75 3rap s SER 51 Ca 0.77 -0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.78 3rap s SER 51 Cb -0.41 -0.38 0.06 0.00 0.21 0.00 0.00 66.02 65.51 3rap s SER 51 CO 0.34 -0.17 0.61 -0.69 0.41 0.00 0.00 173.24 173.74 3rap s VAL 52 N 1.77 4.90 -0.16 3.43 1.01 -1.26 -0.51 120.40 129.58 3rap s VAL 52 Ca 0.02 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 3rap s VAL 52 Cb -0.13 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 3rap s VAL 52 CO -0.04 -0.81 0.87 -0.76 0.00 0.00 0.00 175.10 174.35 3rap s LEU 53 N 2.55 4.18 -0.22 3.92 1.43 0.41 -1.67 118.68 129.29 3rap s LEU 53 Ca 0.14 1.24 -0.06 0.00 -1.03 0.00 0.00 54.13 54.42 3rap s LEU 53 Cb -0.20 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 3rap s LEU 53 CO 0.11 -0.41 0.02 -1.61 0.23 0.00 0.00 176.35 174.68 3rap s GLU 54 N 2.16 3.60 -0.20 1.70 2.02 0.26 -0.96 118.70 127.28 3rap s GLU 54 Ca 0.40 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 3rap s GLU 54 Cb -0.17 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.93 3rap s GLU 54 CO 0.13 -0.08 -0.14 0.42 0.02 0.00 0.00 175.26 175.61 3rap s ILE 55 N 1.25 2.50 -0.32 -1.63 1.01 0.22 -0.68 121.20 123.55 3rap s ILE 55 Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 3rap s ILE 55 Cb -0.15 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3rap s ILE 55 CO 0.02 0.46 0.48 -0.22 0.00 0.00 0.00 174.94 175.68 3rap s LEU 56 N 1.34 4.24 -0.37 2.97 0.20 0.19 -1.04 118.68 126.21 3rap s LEU 56 Ca 0.04 0.12 -0.14 0.00 0.69 0.00 0.00 54.13 54.85 3rap s LEU 56 Cb -0.14 -2.56 0.00 0.00 -0.43 0.00 0.00 46.19 43.06 3rap s LEU 56 CO -0.09 -0.38 0.27 -0.62 -0.29 0.00 0.00 176.35 175.24 3rap s ASP 57 N 1.70 6.09 0.59 3.68 2.15 -0.10 -1.13 116.67 129.64 3rap s ASP 57 Ca 0.18 -0.65 0.05 0.00 0.43 0.00 0.00 52.55 52.56 3rap s ASP 57 Cb -0.16 -2.15 0.08 0.00 -0.30 0.00 0.00 42.92 40.39 3rap s ASP 57 CO 0.12 -0.34 0.81 0.42 -0.17 0.00 0.00 175.17 176.01 3rap s THR 58 N 1.71 2.37 0.08 1.71 -4.23 -1.20 -2.17 115.64 113.92 3rap s THR 58 Ca 0.06 -0.82 -0.23 0.00 -1.18 0.00 0.00 61.69 59.51 3rap s THR 58 Cb -0.18 -2.55 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 3rap s THR 58 CO 0.10 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.89 3rap s ALA 59 N -2.77 3.46 -0.17 3.99 0.00 -1.24 -4.80 121.76 120.23 3rap s ALA 59 Ca 0.61 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 3rap s ALA 59 Cb -0.07 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 3rap s ALA 59 CO 0.39 0.22 -0.18 0.41 0.00 0.00 0.00 175.76 176.61 3rap n GLY 60 N 2.00 -0.25 3.61 0.00 0.00 -1.26 -4.17 105.19 105.11 3rap n GLY 60 Ca -0.06 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3rap n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3rap s THR 61 N -2.33 3.39 0.00 2.61 2.01 -1.26 -1.40 115.64 118.66 3rap s THR 61 Ca -0.23 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3rap s THR 61 Cb 0.07 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3rap s THR 61 CO 0.36 -0.29 0.00 -1.84 -0.69 0.00 0.00 174.62 172.15 3rap n GLU 62 N 8.36 0.00 0.00 4.92 0.28 -1.26 -4.79 120.64 128.15 3rap n GLU 62 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 3rap n GLU 62 Cb 0.46 -4.05 0.00 0.00 1.43 0.00 0.00 31.44 29.28 3rap n GLU 62 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3rap n GLN 63 N -2.00 0.00 -2.71 3.44 3.00 -0.49 -4.07 117.38 114.55 3rap n GLN 63 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3rap n GLN 63 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 30.24 30.32 3rap n GLN 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3rap n PHE 64 N 9.20 -0.35 0.00 1.08 3.01 -1.26 -4.83 117.46 124.31 3rap n PHE 64 Ca 0.00 -2.23 0.00 0.00 1.01 0.00 0.00 57.45 56.23 3rap n PHE 64 Cb 0.00 0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3rap n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3rap n ALA 65 N -0.58 0.00 -0.31 4.37 0.00 -1.26 0.22 120.51 122.96 3rap n ALA 65 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3rap n ALA 65 Cb 0.83 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.70 3rap n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3rap h SER 66 N 0.00 0.60 0.86 0.00 4.64 -1.97 -0.94 113.55 116.74 3rap h SER 66 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3rap h SER 66 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3rap h SER 66 CO 0.00 0.21 0.00 0.23 -0.87 0.00 0.00 176.83 176.40 3rap n MET 67 N -4.64 0.04 0.23 4.77 2.00 0.13 -3.82 117.12 115.83 3rap n MET 67 Ca 0.22 0.13 0.07 0.00 0.00 0.00 0.00 57.70 58.13 3rap n MET 67 Cb 0.66 -1.55 0.55 0.00 0.00 0.00 0.00 33.22 32.88 3rap n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3rap h ARG 68 N 0.00 0.00 -0.71 0.03 2.43 -1.08 0.96 114.38 116.01 3rap h ARG 68 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3rap h ARG 68 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3rap h ARG 68 CO 0.00 0.19 0.22 -0.44 -1.51 0.00 0.00 179.97 178.43 3rap h ASP 69 N 0.00 1.02 -0.44 -3.80 3.32 -1.76 0.10 116.42 114.86 3rap h ASP 69 Ca -0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3rap h ASP 69 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3rap h ASP 69 CO 0.02 0.95 0.27 -0.07 -1.72 0.00 0.00 179.24 178.69 3rap h LEU 70 N 1.05 0.52 -0.71 1.55 4.07 -1.07 0.21 115.31 120.93 3rap h LEU 70 Ca 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3rap h LEU 70 Cb 0.29 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 3rap h LEU 70 CO -0.01 0.42 0.46 1.88 -1.08 0.00 0.00 178.44 180.11 3rap h TYR 71 N 0.58 0.90 -0.25 1.13 0.05 -1.00 -2.39 116.97 115.99 3rap h TYR 71 Ca 0.16 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 3rap h TYR 71 Cb -0.01 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 3rap h TYR 71 CO -0.03 0.58 -0.02 0.82 -1.05 0.00 0.00 178.16 178.45 3rap h ILE 72 N 0.96 1.27 -0.69 -2.88 2.04 -0.45 -1.82 117.51 115.93 3rap h ILE 72 Ca 0.26 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.28 3rap h ILE 72 Cb -0.09 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 3rap h ILE 72 CO -0.05 0.30 0.25 0.11 0.00 0.00 0.00 178.15 178.76 3rap h LYS 73 N 0.21 0.39 0.00 2.37 1.57 -0.35 -2.25 116.57 118.51 3rap h LYS 73 Ca 0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3rap h LYS 73 Cb 0.45 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3rap h LYS 73 CO 0.02 0.26 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.17 3rap h ASN 74 N 0.40 0.00 -3.98 0.86 2.35 -1.34 -3.46 115.58 110.42 3rap h ASN 74 Ca 0.37 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.67 3rap h ASN 74 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3rap h ASN 74 CO -0.38 0.01 0.35 -0.83 -1.65 0.00 0.00 177.43 174.93 3rap s GLY 75 N -4.23 2.60 -0.17 2.83 0.00 -0.69 -4.95 107.32 102.71 3rap s GLY 75 Ca 0.06 0.47 0.16 0.00 0.00 0.00 0.00 44.72 45.42 3rap s GLY 75 CO 0.68 0.84 0.18 -1.06 0.00 0.00 0.00 173.10 173.74 3rap n GLN 76 N -0.07 0.68 -3.95 2.90 6.02 0.67 -4.98 117.38 118.64 3rap n GLN 76 Ca 0.05 0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 57.00 3rap n GLN 76 Cb 0.52 -1.58 -0.12 0.00 1.02 0.00 0.00 30.24 30.08 3rap n GLN 76 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3rap s GLY 77 N -5.46 0.17 -0.06 1.08 0.00 -0.47 -4.46 107.32 98.12 3rap s GLY 77 Ca -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.28 3rap s GLY 77 CO 0.82 -0.40 -0.12 -1.36 0.00 0.00 0.00 173.10 172.03 3rap s PHE 78 N -0.85 1.37 -0.27 1.90 0.40 -0.49 -0.47 117.98 119.58 3rap s PHE 78 Ca -0.09 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 3rap s PHE 78 Cb -0.06 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.48 3rap s PHE 78 CO -0.00 -0.23 0.03 0.42 0.70 0.00 0.00 175.22 176.13 3rap s ILE 79 N 0.53 3.67 -0.40 0.64 1.01 -0.31 -1.51 121.20 124.82 3rap s ILE 79 Ca -0.11 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 3rap s ILE 79 Cb -0.14 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.52 3rap s ILE 79 CO 0.03 0.18 0.28 -0.76 0.00 0.00 0.00 174.94 174.67 3rap s LEU 80 N 1.47 5.03 -0.09 2.97 1.43 0.19 -0.86 118.68 128.83 3rap s LEU 80 Ca 0.03 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 3rap s LEU 80 Cb -0.16 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3rap s LEU 80 CO 0.00 -0.45 0.00 -0.69 0.23 0.00 0.00 176.35 175.45 3rap s VAL 81 N 1.63 4.32 0.23 -1.59 1.01 0.01 -0.56 120.40 125.46 3rap s VAL 81 Ca 0.04 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3rap s VAL 81 Cb -0.19 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3rap s VAL 81 CO 0.09 0.60 -0.04 -0.72 0.00 0.00 0.00 175.10 175.03 3rap s TYR 82 N -0.86 1.63 -0.18 5.22 1.13 -0.42 -4.28 117.35 119.60 3rap s TYR 82 Ca 0.13 -0.81 -0.17 0.00 -1.41 0.00 0.00 57.07 54.81 3rap s TYR 82 Cb -0.11 -0.91 -0.04 0.00 -1.10 0.00 0.00 41.96 39.80 3rap s TYR 82 CO 0.02 0.10 0.45 0.45 -2.51 0.00 0.00 175.55 174.06 3rap s SER 83 N -3.32 6.54 0.28 -0.18 0.15 -1.26 -0.61 113.70 115.30 3rap s SER 83 Ca 0.26 0.64 0.23 0.00 0.70 0.00 0.00 55.95 57.79 3rap s SER 83 Cb 0.04 -2.26 1.04 0.00 -1.71 0.00 0.00 66.02 63.13 3rap s SER 83 CO 0.08 -0.08 1.71 0.00 1.20 0.00 0.00 173.24 176.15 3rap n LEU 84 N 4.32 0.66 -1.19 3.45 -0.00 -0.22 -1.24 117.00 122.78 3rap n LEU 84 Ca -0.07 0.69 0.07 0.00 -0.00 0.00 0.00 56.01 56.70 3rap n LEU 84 Cb 0.51 -0.64 0.26 0.00 -0.00 0.00 0.00 43.42 43.55 3rap n LEU 84 CO 0.41 -0.66 0.70 1.33 -0.00 0.00 0.00 177.39 179.17 3rap n VAL 85 N -2.26 1.22 -3.45 1.47 0.24 -1.26 -0.46 118.33 113.82 3rap n VAL 85 Ca 0.01 -0.82 -0.24 0.00 -2.04 0.00 0.00 64.34 61.25 3rap n VAL 85 Cb 0.19 0.06 -0.12 0.00 -1.47 0.00 0.00 33.84 32.51 3rap n VAL 85 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3rap s ASN 86 N -0.81 2.53 0.40 -1.34 3.84 -0.38 -4.60 114.94 114.58 3rap s ASN 86 Ca 0.37 -1.50 0.18 0.00 0.21 0.00 0.00 52.86 52.11 3rap s ASN 86 Cb 0.23 -0.01 1.09 0.00 -0.55 0.00 0.00 41.25 42.01 3rap s ASN 86 CO 0.19 -0.36 1.78 -0.61 -2.79 0.00 0.00 177.10 175.31 3rap h GLN 87 N 7.71 0.39 -0.31 0.43 -0.00 -1.83 -1.58 115.11 119.91 3rap h GLN 87 Ca -0.06 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.43 3rap h GLN 87 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.40 3rap h GLN 87 CO 0.32 0.26 -0.37 0.37 0.00 0.00 0.00 178.83 179.41 3rap h GLN 88 N 0.41 0.72 -0.35 1.69 5.75 -1.94 -2.03 115.11 119.35 3rap h GLN 88 Ca 0.58 -0.35 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 3rap h GLN 88 Cb 1.44 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.98 3rap h GLN 88 CO -0.28 0.97 0.08 0.66 -2.65 0.00 0.00 178.83 177.61 3rap h SER 89 N 0.59 0.47 -0.56 -0.69 4.64 -1.60 0.21 113.55 116.62 3rap h SER 89 Ca 0.06 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3rap h SER 89 Cb 0.90 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3rap h SER 89 CO 0.08 0.48 -0.00 0.15 -0.87 0.00 0.00 176.83 176.67 3rap h PHE 90 N 0.51 1.07 -0.57 4.77 3.57 -1.38 -1.88 116.94 123.03 3rap h PHE 90 Ca 0.12 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 3rap h PHE 90 Cb 0.20 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3rap h PHE 90 CO 0.01 0.97 0.08 1.96 -2.23 0.00 0.00 178.31 179.10 3rap h GLN 91 N 0.87 0.95 0.00 1.11 1.08 -0.66 -2.44 115.11 116.02 3rap h GLN 91 Ca 0.16 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3rap h GLN 91 Cb 0.54 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3rap h GLN 91 CO 0.03 0.92 -0.10 -0.44 -0.95 0.00 0.00 178.83 178.28 3rap h ASP 92 N 0.85 0.00 1.47 1.46 3.32 -0.78 -2.27 116.42 120.46 3rap h ASP 92 Ca 0.17 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3rap h ASP 92 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3rap h ASP 92 CO 0.01 0.10 -0.36 -0.29 -1.72 0.00 0.00 179.24 176.99 3rap h ILE 93 N 0.00 0.65 -0.88 0.35 6.09 -0.85 -3.38 117.51 119.50 3rap h ILE 93 Ca -0.00 -1.79 0.01 0.00 -1.37 0.00 0.00 64.86 61.71 3rap h ILE 93 Cb 0.27 2.22 -0.05 0.00 0.47 0.00 0.00 36.82 39.73 3rap h ILE 93 CO 0.01 0.35 0.58 0.11 -3.07 0.00 0.00 178.15 176.14 3rap h LYS 94 N 0.00 1.14 0.00 2.19 1.57 -1.29 -1.22 116.57 118.95 3rap h LYS 94 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3rap h LYS 94 Cb 1.19 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3rap h LYS 94 CO 0.05 0.75 0.00 -1.00 -0.57 0.00 0.00 179.45 178.68 3rap h PRO 95 N 1.17 0.00 -0.71 3.15 0.13 -1.77 -3.39 132.00 130.58 3rap h PRO 95 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 3rap h PRO 95 Cb -0.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 30.99 3rap h PRO 95 CO -0.08 0.00 0.46 0.52 -0.23 0.00 0.00 178.00 178.67 3rap h MET 96 N 0.00 0.95 -0.59 0.86 2.86 -1.44 -1.00 114.93 116.56 3rap h MET 96 Ca 0.00 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3rap h MET 96 Cb 0.52 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3rap h MET 96 CO 0.00 0.64 0.19 -0.09 1.06 0.00 0.00 176.91 178.70 3rap h ARG 97 N 0.97 0.91 -0.66 1.72 2.43 -1.75 -0.62 114.38 117.37 3rap h ARG 97 Ca 0.26 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3rap h ARG 97 Cb -0.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3rap h ARG 97 CO -0.05 0.81 0.37 -0.44 -1.51 0.00 0.00 179.97 179.15 3rap h ASP 98 N 0.83 0.82 -0.76 -3.80 3.32 -1.49 0.17 116.42 115.51 3rap h ASP 98 Ca 0.19 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3rap h ASP 98 Cb 0.28 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3rap h ASP 98 CO -0.01 0.67 0.49 -0.61 -1.72 0.00 0.00 179.24 178.06 3rap h GLN 99 N 0.90 0.96 0.20 3.56 4.15 -0.93 0.12 115.11 124.08 3rap h GLN 99 Ca 0.23 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3rap h GLN 99 Cb 0.02 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 3rap h GLN 99 CO -0.04 0.64 -0.12 0.82 -1.93 0.00 0.00 178.83 178.20 3rap h ILE 100 N 0.99 0.75 -0.57 2.39 2.04 -0.10 -1.71 117.51 121.30 3rap h ILE 100 Ca 0.29 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 3rap h ILE 100 Cb -0.07 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3rap h ILE 100 CO -0.08 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.80 3rap h ILE 101 N -0.31 1.17 0.23 -0.67 2.04 -0.65 -0.35 117.51 118.98 3rap h ILE 101 Ca -0.02 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3rap h ILE 101 Cb 0.25 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3rap h ILE 101 CO 0.02 0.18 -0.17 -0.09 0.00 0.00 0.00 178.15 178.09 3rap h ARG 102 N 0.79 -0.40 -0.50 2.37 2.43 -0.45 0.39 114.38 119.01 3rap h ARG 102 Ca 0.21 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3rap h ARG 102 Cb -0.00 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3rap h ARG 102 CO -0.04 -0.26 0.08 0.28 -1.51 0.00 0.00 179.97 178.51 3rap h VAL 103 N -0.41 1.25 0.00 0.20 2.07 -0.63 -3.03 116.25 115.71 3rap h VAL 103 Ca -0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3rap h VAL 103 Cb 0.36 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3rap h VAL 103 CO -0.01 0.34 0.00 0.11 0.02 0.00 0.00 177.57 178.03 3rap h LYS 104 N 0.71 0.00 0.00 1.57 1.79 -0.99 -3.48 116.57 116.18 3rap h LYS 104 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3rap h LYS 104 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3rap h LYS 104 CO 0.01 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.92 3rap n ARG 105 N -2.84 0.00 -4.57 3.15 1.74 0.14 -4.97 116.66 109.30 3rap n ARG 105 Ca 0.04 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 3rap n ARG 105 Cb 0.49 -4.26 -0.14 0.00 -1.02 0.00 0.00 32.46 27.54 3rap n ARG 105 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3rap s TYR 106 N -1.11 2.29 0.20 -1.55 1.13 -1.25 -5.01 117.35 112.05 3rap s TYR 106 Ca 0.00 -0.39 0.05 0.00 -1.41 0.00 0.00 57.07 55.32 3rap s TYR 106 Cb 0.00 -1.29 0.12 0.00 -1.10 0.00 0.00 41.96 39.69 3rap s TYR 106 CO 0.00 0.26 1.47 0.93 -2.51 0.00 0.00 175.55 175.70 3rap h GLU 107 N 4.22 0.16 -3.15 -3.49 3.07 -1.93 -3.39 114.58 110.07 3rap h GLU 107 Ca -0.49 -0.14 -0.72 0.00 -0.50 0.00 0.00 59.36 57.50 3rap h GLU 107 Cb 1.16 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 29.03 3rap h GLU 107 CO 0.41 0.84 2.82 1.63 -1.40 0.00 0.00 179.01 183.30 3rap n LYS 108 N -3.73 3.85 -3.45 2.33 4.76 -1.26 -4.94 118.16 115.73 3rap n LYS 108 Ca -0.02 -3.01 -0.37 0.00 -2.87 0.00 0.00 58.31 52.03 3rap n LYS 108 Cb 0.72 -2.85 -0.06 0.00 -1.84 0.00 0.00 35.03 31.00 3rap n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3rap s VAL 109 N 0.77 5.20 -0.20 -0.18 1.01 -1.26 -4.98 120.40 120.76 3rap s VAL 109 Ca 0.54 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.00 3rap s VAL 109 Cb 0.16 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3rap s VAL 109 CO -0.06 0.42 2.08 -2.16 0.00 0.00 0.00 175.10 175.38 3rap s PRO 110 N 0.10 3.36 0.05 2.72 0.04 -1.26 -4.98 135.00 135.03 3rap s PRO 110 Ca 0.22 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.30 3rap s PRO 110 Cb -0.15 -4.29 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 3rap s PRO 110 CO 0.09 -1.84 -0.10 0.14 0.04 0.00 0.00 177.00 175.33 3rap s VAL 111 N 7.32 0.71 -0.01 -0.36 -7.23 -1.26 -1.39 120.40 118.17 3rap s VAL 111 Ca 0.94 -1.18 0.05 0.00 -1.81 0.00 0.00 61.98 59.97 3rap s VAL 111 Cb -0.32 -0.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 3rap s VAL 111 CO 0.35 -0.36 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.00 3rap s ILE 112 N -1.45 1.20 -0.21 -0.62 1.01 -0.57 -4.27 121.20 116.29 3rap s ILE 112 Ca -0.07 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3rap s ILE 112 Cb -0.09 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 3rap s ILE 112 CO 0.01 0.33 0.16 -0.22 0.00 0.00 0.00 174.94 175.21 3rap s LEU 113 N -0.39 4.17 -0.12 2.97 2.96 -0.70 -0.64 118.68 126.94 3rap s LEU 113 Ca 0.06 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3rap s LEU 113 Cb -0.06 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3rap s LEU 113 CO -0.00 0.12 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.26 3rap s VAL 114 N 0.66 1.81 -0.40 1.68 1.01 0.28 -1.30 120.40 124.14 3rap s VAL 114 Ca 0.09 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 3rap s VAL 114 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3rap s VAL 114 CO 0.01 0.50 0.31 -0.83 0.00 0.00 0.00 175.10 175.10 3rap s GLY 115 N 0.75 1.98 0.39 4.51 0.00 -0.03 -1.30 107.32 113.62 3rap s GLY 115 Ca -0.10 -1.62 0.05 0.00 0.00 0.00 0.00 44.72 43.05 3rap s GLY 115 CO 0.01 0.94 0.54 0.21 0.00 0.00 0.00 173.10 174.80 3rap s ASN 116 N 1.71 5.84 0.00 1.64 2.47 0.22 -0.90 114.94 125.92 3rap s ASN 116 Ca 0.06 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.21 3rap s ASN 116 Cb -0.18 -1.15 0.00 0.00 -1.45 0.00 0.00 41.25 38.46 3rap s ASN 116 CO 0.11 -0.59 0.00 0.29 -3.72 0.00 0.00 177.10 173.19 3rap n LYS 117 N -1.80 0.00 0.28 0.43 5.02 0.29 -1.05 118.16 121.32 3rap n LYS 117 Ca 0.02 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 3rap n LYS 117 Cb 0.58 -2.87 0.80 0.00 -0.02 0.00 0.00 35.03 33.52 3rap n LYS 117 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3rap h VAL 118 N 0.00 0.73 0.00 -0.18 3.04 -1.41 0.48 116.25 118.91 3rap h VAL 118 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3rap h VAL 118 Cb 0.99 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3rap h VAL 118 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 175.66 3rap n ASP 119 N -4.15 0.08 -1.15 3.17 5.75 -1.26 -1.13 116.55 117.86 3rap n ASP 119 Ca -0.03 0.52 0.08 0.00 -0.01 0.00 0.00 54.79 55.36 3rap n ASP 119 Cb 0.09 -0.54 0.28 0.00 -1.03 0.00 0.00 41.12 39.91 3rap n ASP 119 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3rap n LEU 120 N -1.60 4.06 0.00 -2.12 4.77 0.16 -4.75 117.00 117.52 3rap n LEU 120 Ca 0.02 -2.49 0.03 0.00 -0.03 0.00 0.00 56.01 53.54 3rap n LEU 120 Cb 0.14 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.90 3rap n LEU 120 CO 0.11 0.75 0.50 -1.84 -1.33 0.00 0.00 177.39 175.58 3rap n GLU 121 N 0.51 0.10 0.32 3.23 0.28 -0.29 -0.84 120.64 123.96 3rap n GLU 121 Ca 0.21 0.19 0.20 0.00 -0.16 0.00 0.00 57.16 57.59 3rap n GLU 121 Cb 0.77 -1.50 1.09 0.00 1.43 0.00 0.00 31.44 33.23 3rap n GLU 121 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3rap h SER 122 N 0.00 0.00 -0.24 -1.84 4.64 -1.85 -1.53 113.55 112.73 3rap h SER 122 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3rap h SER 122 Cb 0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 3rap h SER 122 CO 0.00 0.01 -0.24 -0.62 -0.87 0.00 0.00 176.83 175.11 3rap n GLU 123 N -3.35 1.78 -1.75 4.77 -0.58 -0.02 -5.06 120.64 116.43 3rap n GLU 123 Ca -0.03 -3.26 -0.42 0.00 -0.42 0.00 0.00 57.16 53.04 3rap n GLU 123 Cb 0.09 -1.76 -0.01 0.00 -0.57 0.00 0.00 31.44 29.19 3rap n GLU 123 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3rap n ARG 124 N -1.12 2.56 -0.00 3.49 0.63 -0.58 -4.57 116.66 117.07 3rap n ARG 124 Ca 0.29 0.90 0.01 0.00 -0.92 0.00 0.00 57.85 58.13 3rap n ARG 124 Cb 0.92 -2.62 -0.02 0.00 0.45 0.00 0.00 32.46 31.19 3rap n ARG 124 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3rap n GLU 125 N 1.01 3.81 -3.94 -0.14 1.02 0.39 -4.95 120.64 117.85 3rap n GLU 125 Ca 0.04 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 3rap n GLU 125 Cb 0.37 -0.80 -0.17 0.00 -0.02 0.00 0.00 31.44 30.83 3rap n GLU 125 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3rap s VAL 126 N -1.62 0.30 0.43 2.62 1.01 -0.78 -4.68 120.40 117.68 3rap s VAL 126 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 3rap s VAL 126 Cb 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 3rap s VAL 126 CO 0.12 0.19 0.79 -0.94 0.00 0.00 0.00 175.10 175.26 3rap s SER 127 N 1.26 6.46 0.36 3.32 1.04 -1.26 -4.89 113.70 119.99 3rap s SER 127 Ca -0.06 1.12 0.13 0.00 0.48 0.00 0.00 55.95 57.62 3rap s SER 127 Cb -0.13 -2.32 0.97 0.00 0.10 0.00 0.00 66.02 64.64 3rap s SER 127 CO -0.02 -0.46 1.76 0.28 0.98 0.00 0.00 173.24 175.77 3rap h SER 128 N 0.97 0.58 0.57 7.02 0.02 -2.00 -1.27 113.55 119.44 3rap h SER 128 Ca -0.47 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3rap h SER 128 Cb 1.19 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3rap h SER 128 CO 0.63 0.12 -0.54 0.77 -1.14 0.00 0.00 176.83 176.67 3rap h SER 129 N 0.51 0.00 0.01 3.07 4.64 -1.97 0.12 113.55 119.94 3rap h SER 129 Ca 0.61 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3rap h SER 129 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3rap h SER 129 CO -0.38 0.54 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.78 3rap h GLU 130 N 0.00 -0.01 -0.27 4.77 5.08 -1.62 0.19 114.58 122.72 3rap h GLU 130 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3rap h GLU 130 Cb 0.97 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 3rap h GLU 130 CO 0.07 0.34 0.11 0.78 -1.00 0.00 0.00 179.01 179.31 3rap h GLY 131 N -0.36 0.35 1.42 -3.84 0.00 -1.19 -1.55 103.07 97.90 3rap h GLY 131 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3rap h GLY 131 CO 0.00 0.05 0.26 -0.09 0.00 0.00 0.00 176.54 176.77 3rap h ARG 132 N 0.25 0.76 -0.22 4.80 2.43 -0.80 -0.68 114.38 120.92 3rap h ARG 132 Ca 0.12 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 3rap h ARG 132 Cb 0.06 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3rap h ARG 132 CO -0.10 0.59 -0.51 0.00 -1.51 0.00 0.00 179.97 178.43 3rap h ALA 133 N 1.53 0.68 -0.10 2.80 0.00 -0.37 -1.13 119.26 122.68 3rap h ALA 133 Ca 0.19 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3rap h ALA 133 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3rap h ALA 133 CO -0.03 0.68 0.04 1.25 0.00 0.00 0.00 179.25 181.19 3rap h LEU 134 N 0.49 0.14 -1.39 0.00 5.85 -0.55 -1.69 115.31 118.16 3rap h LEU 134 Ca 0.02 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3rap h LEU 134 Cb 1.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3rap h LEU 134 CO 0.10 0.27 0.35 0.00 -0.34 0.00 0.00 178.44 178.82 3rap h ALA 135 N 0.88 1.55 -0.35 1.25 0.00 -1.11 -0.56 119.26 120.91 3rap h ALA 135 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3rap h ALA 135 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3rap h ALA 135 CO -0.00 0.40 0.05 1.49 0.00 0.00 0.00 179.25 181.19 3rap h GLU 136 N 0.78 0.58 -0.89 0.00 4.57 -1.03 0.24 114.58 118.83 3rap h GLU 136 Ca 0.21 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3rap h GLU 136 Cb -0.05 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3rap h GLU 136 CO -0.04 0.66 0.59 1.49 -1.18 0.00 0.00 179.01 180.53 3rap h GLU 137 N 0.42 1.10 0.00 1.92 4.81 -0.50 -1.98 114.58 120.35 3rap h GLU 137 Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3rap h GLU 137 Cb 0.37 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3rap h GLU 137 CO 0.01 0.73 0.00 -1.49 -0.73 0.00 0.00 179.01 177.53 3rap h TRP 138 N 1.13 0.00 -1.01 0.92 6.55 -0.72 -3.48 115.95 119.34 3rap h TRP 138 Ca 0.35 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 60.08 3rap h TRP 138 Cb -0.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 3rap h TRP 138 CO -0.00 0.00 -0.15 0.41 -1.05 0.00 0.00 178.44 177.65 3rap n GLY 139 N 0.80 0.21 3.41 1.49 0.00 0.73 -5.05 105.19 106.77 3rap n GLY 139 Ca 0.03 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 3rap n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rap s PRO 141 N -3.75 2.96 -0.04 0.00 0.04 -1.26 -4.42 135.00 128.52 3rap s PRO 141 Ca 0.29 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.96 3rap s PRO 141 Cb 0.04 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3rap s PRO 141 CO 0.11 -1.16 -0.25 0.12 0.04 0.00 0.00 177.00 175.86 3rap s PHE 142 N -2.01 2.39 0.05 0.56 5.36 -1.26 -1.72 117.98 121.36 3rap s PHE 142 Ca 0.71 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 56.09 3rap s PHE 142 Cb -0.24 -1.56 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 3rap s PHE 142 CO 0.36 -0.14 -0.06 -1.64 -1.46 0.00 0.00 175.22 172.27 3rap s MET 143 N -0.35 0.58 -0.00 10.12 -1.94 -0.42 -4.99 119.30 122.30 3rap s MET 143 Ca 0.02 -0.93 0.06 0.00 -1.71 0.00 0.00 55.69 53.14 3rap s MET 143 Cb -0.12 -0.14 -0.03 0.00 2.01 0.00 0.00 34.83 36.55 3rap s MET 143 CO 0.02 -0.00 -0.20 -1.21 -0.01 0.00 0.00 175.02 173.62 3rap s GLU 144 N -2.39 2.19 0.12 2.03 2.02 -1.26 -0.85 118.70 120.56 3rap s GLU 144 Ca -0.04 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 3rap s GLU 144 Cb -0.04 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 3rap s GLU 144 CO -0.02 0.57 0.04 0.95 0.02 0.00 0.00 175.26 176.81 3rap s THR 145 N -0.78 0.15 -0.07 3.63 -4.23 -0.08 -4.93 115.64 109.33 3rap s THR 145 Ca 0.12 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 3rap s THR 145 Cb -0.10 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.78 3rap s THR 145 CO 0.02 -0.55 -0.18 -0.55 -0.54 0.00 0.00 174.62 172.82 3rap s SER 146 N -3.03 2.37 0.25 3.99 0.15 -1.26 -0.55 113.70 115.62 3rap s SER 146 Ca 0.21 -0.41 0.21 0.00 0.70 0.00 0.00 55.95 56.65 3rap s SER 146 Cb 0.07 -1.01 0.96 0.00 -1.71 0.00 0.00 66.02 64.33 3rap s SER 146 CO -0.00 0.11 1.63 0.00 1.20 0.00 0.00 173.24 176.17 3rap n ALA 147 N 3.57 1.38 0.30 5.45 0.00 -1.26 -1.92 120.51 128.03 3rap n ALA 147 Ca -0.20 0.11 0.18 0.00 0.00 0.00 0.00 53.44 53.52 3rap n ALA 147 Cb 0.52 -1.32 0.75 0.00 0.00 0.00 0.00 19.45 19.40 3rap n ALA 147 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3rap h LYS 148 N 0.00 0.00 -5.16 0.00 1.57 -1.95 -3.43 116.57 107.60 3rap h LYS 148 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 3rap h LYS 148 Cb 0.19 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.21 3rap h LYS 148 CO 0.00 0.00 -0.77 -1.54 -0.57 0.00 0.00 179.45 176.57 3rap s SER 149 N -5.41 3.89 0.17 0.86 1.04 -0.81 -4.95 113.70 108.49 3rap s SER 149 Ca 0.00 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 3rap s SER 149 Cb 0.10 -1.62 0.09 0.00 0.10 0.00 0.00 66.02 64.69 3rap s SER 149 CO 0.50 0.07 1.66 0.50 0.98 0.00 0.00 173.24 176.95 3rap h LYS 150 N 7.42 -0.04 -0.48 4.02 1.63 -1.86 -2.83 116.57 124.43 3rap h LYS 150 Ca -0.35 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.55 3rap h LYS 150 Cb 1.18 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.73 3rap h LYS 150 CO 0.58 -0.03 -0.16 1.15 -3.45 0.00 0.00 179.45 177.54 3rap h THR 151 N -0.04 0.44 -0.46 1.00 2.02 -1.95 0.96 112.91 114.88 3rap h THR 151 Ca 0.19 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 3rap h THR 151 Cb 0.33 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3rap h THR 151 CO -0.42 0.00 0.07 0.24 0.37 0.00 0.00 175.52 175.78 3rap h MET 152 N -0.06 0.77 -0.73 6.66 2.86 -1.85 -2.50 114.93 120.08 3rap h MET 152 Ca 0.23 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3rap h MET 152 Cb 0.41 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3rap h MET 152 CO -0.52 0.78 0.19 0.28 1.06 0.00 0.00 176.91 178.70 3rap h VAL 153 N 0.63 1.26 -0.62 -2.22 2.07 -1.20 -1.86 116.25 114.32 3rap h VAL 153 Ca 0.14 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 3rap h VAL 153 Cb 0.39 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3rap h VAL 153 CO 0.01 0.37 0.09 0.44 0.02 0.00 0.00 177.57 178.50 3rap h ASP 154 N 1.10 0.97 0.14 0.57 3.32 -0.70 -1.92 116.42 119.89 3rap h ASP 154 Ca 0.23 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3rap h ASP 154 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3rap h ASP 154 CO -0.00 0.97 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.86 3rap h GLU 155 N 0.95 0.26 0.24 3.56 4.39 -1.06 -0.23 114.58 122.69 3rap h GLU 155 Ca 0.19 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3rap h GLU 155 Cb 0.43 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3rap h GLU 155 CO 0.01 0.54 -0.16 1.25 -1.16 0.00 0.00 179.01 179.49 3rap h LEU 156 N 0.23 -0.41 -0.50 1.33 5.85 -0.66 0.65 115.31 121.80 3rap h LEU 156 Ca 0.03 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3rap h LEU 156 Cb 0.65 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3rap h LEU 156 CO 0.05 -0.26 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.44 3rap h PHE 157 N -0.40 1.16 -0.97 1.25 0.04 -1.20 -1.87 116.94 114.95 3rap h PHE 157 Ca -0.02 -0.27 0.07 0.00 2.80 0.00 0.00 57.97 60.55 3rap h PHE 157 Cb 0.34 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 3rap h PHE 157 CO -0.10 1.10 0.62 0.00 -0.60 0.00 0.00 178.31 179.34 3rap h ALA 158 N 0.88 1.37 -0.43 2.45 0.00 -0.94 -2.64 119.26 119.95 3rap h ALA 158 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3rap h ALA 158 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3rap h ALA 158 CO 0.06 0.38 -0.22 1.49 0.00 0.00 0.00 179.25 180.96 3rap h GLU 159 N 1.11 0.90 -0.53 0.00 4.57 -0.25 -2.61 114.58 117.76 3rap h GLU 159 Ca 0.43 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3rap h GLU 159 Cb 0.21 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3rap h GLU 159 CO -0.19 1.05 0.15 0.97 -1.18 0.00 0.00 179.01 179.81 3rap h ILE 160 N 0.72 1.22 -0.27 2.32 6.09 -1.02 -0.67 117.51 125.90 3rap h ILE 160 Ca 0.09 -0.76 0.05 0.00 -1.37 0.00 0.00 64.86 62.87 3rap h ILE 160 Cb 0.79 0.66 -0.05 0.00 0.47 0.00 0.00 36.82 38.68 3rap h ILE 160 CO 0.06 0.29 -0.04 0.58 -3.07 0.00 0.00 178.15 175.97 3rap h VAL 161 N 0.78 0.76 -0.63 2.19 2.07 -1.37 0.81 116.25 120.85 3rap h VAL 161 Ca 0.18 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.71 3rap h VAL 161 Cb 0.26 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3rap h VAL 161 CO -0.01 0.01 0.40 0.03 0.02 0.00 0.00 177.57 178.02 3rap h ARG 162 N 0.03 0.76 -0.83 1.57 3.08 -0.84 0.12 114.38 118.28 3rap h ARG 162 Ca 0.13 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3rap h ARG 162 Cb 0.19 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3rap h ARG 162 CO -0.25 0.50 0.55 1.96 -1.07 0.00 0.00 179.97 181.66 3rap h GLN 163 N 0.79 1.08 -0.08 0.04 1.08 -0.71 -1.17 115.11 116.14 3rap h GLN 163 Ca 0.25 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.27 3rap h GLN 163 Cb -0.00 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 3rap h GLN 163 CO -0.09 0.71 -0.46 0.52 -0.95 0.00 0.00 178.83 178.56 3rap h MET 164 N 1.11 0.20 0.00 1.46 2.86 -0.04 -2.87 114.93 117.65 3rap h MET 164 Ca 0.31 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3rap h MET 164 Cb -0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3rap h MET 164 CO -0.07 0.63 -0.33 -0.91 1.06 0.00 0.00 176.91 177.29 3rap h ASN 165 N 0.17 0.00 -2.95 1.22 2.35 -0.19 -3.36 115.58 112.81 3rap h ASN 165 Ca 0.01 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.14 3rap h ASN 165 Cb 0.88 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.83 3rap h ASN 165 CO 0.07 0.33 -0.61 -1.22 -1.65 0.00 0.00 177.43 174.35 3rap n TYR 166 N -3.75 2.95 -0.91 1.19 4.01 -0.50 -5.08 117.16 115.06 3rap n TYR 166 Ca -0.01 -4.22 0.00 0.00 -0.16 0.00 0.00 57.90 53.51 3rap n TYR 166 Cb 0.42 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 3rap n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40