#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ran n GLY 5 N 0.00 5.01 3.77 1.69 0.00 -1.26 -5.01 105.19 109.39 3ran n GLY 5 Ca 0.00 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3ran n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ran s GLU 6 N -3.38 3.26 0.84 1.61 2.02 -1.26 -5.02 118.70 116.78 3ran s GLU 6 Ca 0.52 1.59 -0.11 0.00 0.02 0.00 0.00 54.97 57.00 3ran s GLU 6 Cb 0.45 -1.99 0.10 0.00 0.10 0.00 0.00 34.13 32.79 3ran s GLU 6 CO 0.04 -0.92 1.15 -2.14 0.02 0.00 0.00 175.26 173.41 3ran s PRO 7 N -3.39 1.53 0.07 0.39 0.02 -1.26 -5.03 135.00 127.33 3ran s PRO 7 Ca 0.72 1.52 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 3ran s PRO 7 Cb -0.24 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 3ran s PRO 7 CO 0.29 -2.24 0.31 -0.65 -0.33 0.00 0.00 177.00 174.38 3ran s GLN 8 N -4.54 3.59 -0.71 5.54 -0.21 -1.26 -5.04 119.66 117.03 3ran s GLN 8 Ca 0.67 -0.11 -0.26 0.00 0.02 0.00 0.00 55.36 55.68 3ran s GLN 8 Cb -0.23 -2.99 0.04 0.00 1.00 0.00 0.00 33.01 30.83 3ran s GLN 8 CO 0.55 0.57 1.19 0.08 -2.12 0.00 0.00 175.29 175.56 3ran s VAL 9 N -1.46 3.89 -0.07 1.09 1.01 -1.26 -4.99 120.40 118.61 3ran s VAL 9 Ca 0.34 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3ran s VAL 9 Cb -0.13 -4.85 0.01 0.00 0.00 0.00 0.00 36.38 31.41 3ran s VAL 9 CO 0.21 -1.73 -0.15 -1.10 0.00 0.00 0.00 175.10 172.32 3ran s GLN 10 N 5.28 1.96 -0.02 2.72 -0.21 -1.26 -1.67 119.66 126.46 3ran s GLN 10 Ca 0.32 -0.54 0.05 0.00 0.02 0.00 0.00 55.36 55.21 3ran s GLN 10 Cb -0.10 -1.60 -0.01 0.00 1.00 0.00 0.00 33.01 32.30 3ran s GLN 10 CO 0.14 0.11 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.19 3ran s PHE 11 N 0.45 1.51 -0.14 0.91 0.08 -0.53 -4.98 117.98 115.28 3ran s PHE 11 Ca -0.13 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 56.36 3ran s PHE 11 Cb -0.15 -0.99 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3ran s PHE 11 CO 0.04 -0.06 0.75 0.21 -0.10 0.00 0.00 175.22 176.07 3ran s LYS 12 N -0.27 4.32 -0.15 0.44 2.20 -1.26 -0.60 119.74 124.43 3ran s LYS 12 Ca 0.04 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 3ran s LYS 12 Cb -0.08 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3ran s LYS 12 CO 0.00 -0.19 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.46 3ran s LEU 13 N 1.69 2.38 -0.18 5.43 0.20 0.41 -2.19 118.68 126.42 3ran s LEU 13 Ca 0.36 -0.50 -0.08 0.00 0.69 0.00 0.00 54.13 54.60 3ran s LEU 13 Cb -0.17 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 3ran s LEU 13 CO 0.14 0.09 0.09 0.68 -0.29 0.00 0.00 176.35 177.06 3ran s VAL 14 N 0.77 5.04 -0.38 1.68 -7.23 -1.13 -1.62 120.40 117.52 3ran s VAL 14 Ca -0.07 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 3ran s VAL 14 Cb -0.16 -3.28 0.07 0.00 0.56 0.00 0.00 36.38 33.58 3ran s VAL 14 CO 0.00 0.47 0.17 -0.22 -0.31 0.00 0.00 175.10 175.21 3ran s LEU 15 N 0.26 4.77 0.28 1.32 0.20 -1.16 -0.98 118.68 123.37 3ran s LEU 15 Ca 0.06 -1.44 0.06 0.00 0.69 0.00 0.00 54.13 53.50 3ran s LEU 15 Cb -0.12 -1.90 -0.06 0.00 -0.43 0.00 0.00 46.19 43.69 3ran s LEU 15 CO -0.00 -0.44 -0.03 0.68 -0.29 0.00 0.00 176.35 176.27 3ran s VAL 16 N 1.36 1.48 0.00 1.68 -7.23 -0.59 -4.61 120.40 112.49 3ran s VAL 16 Ca 0.01 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 3ran s VAL 16 Cb -0.21 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3ran s VAL 16 CO 0.01 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3ran n GLY 17 N -0.58 3.79 3.56 2.32 0.00 -1.26 -1.62 105.19 111.39 3ran n GLY 17 Ca -0.05 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 3ran n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ran n ASP 18 N 0.00 0.01 -4.77 1.61 9.92 -1.26 -4.95 116.55 117.11 3ran n ASP 18 Ca 0.00 0.76 -0.39 0.00 -0.53 0.00 0.00 54.79 54.63 3ran n ASP 18 Cb 0.00 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 3ran n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ran s GLY 19 N -1.27 2.87 0.00 0.44 0.00 -1.26 -3.25 107.32 104.85 3ran s GLY 19 Ca 0.73 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.61 3ran s GLY 19 CO 0.50 1.69 0.00 0.61 0.00 0.00 0.00 173.10 175.90 3ran n GLY 20 N 0.62 0.78 0.03 0.20 0.00 -1.26 -4.93 105.19 100.62 3ran n GLY 20 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3ran n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ran n THR 21 N -2.26 0.17 0.00 2.61 -2.24 -1.20 -4.96 114.28 106.40 3ran n THR 21 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ran n THR 21 Cb 0.00 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3ran n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ran n GLY 22 N 1.41 1.82 0.12 3.38 0.00 -1.26 -4.55 105.19 106.11 3ran n GLY 22 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3ran n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ran h LYS 23 N 0.00 0.30 -0.68 1.61 1.57 -1.93 -2.11 116.57 115.33 3ran h LYS 23 Ca 0.00 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3ran h LYS 23 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3ran h LYS 23 CO 0.00 0.57 0.31 1.15 -0.57 0.00 0.00 179.45 180.92 3ran h THR 24 N -0.00 1.23 -0.57 -0.16 2.02 -1.97 -2.53 112.91 110.93 3ran h THR 24 Ca 0.04 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 3ran h THR 24 Cb 0.46 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3ran h THR 24 CO 0.01 0.27 0.16 0.74 0.37 0.00 0.00 175.52 177.08 3ran h THR 25 N 0.95 1.24 0.52 3.16 2.02 -1.98 -2.61 112.91 116.21 3ran h THR 25 Ca 0.23 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 3ran h THR 25 Cb 0.14 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3ran h THR 25 CO -0.03 0.32 -0.25 0.15 0.37 0.00 0.00 175.52 176.08 3ran h PHE 26 N 0.81 -0.65 0.00 3.16 3.57 -1.25 -3.27 116.94 119.31 3ran h PHE 26 Ca 0.18 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ran h PHE 26 Cb 0.31 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3ran h PHE 26 CO 0.02 -0.35 -0.10 -0.24 -2.23 0.00 0.00 178.31 175.42 3ran h VAL 27 N -0.85 0.94 0.00 1.41 3.04 -1.46 -2.68 116.25 116.65 3ran h VAL 27 Ca -0.07 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3ran h VAL 27 Cb 0.60 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 3ran h VAL 27 CO 0.12 0.09 0.00 0.29 -1.01 0.00 0.00 177.57 177.06 3ran n LYS 28 N -4.23 0.05 -0.28 4.17 5.02 -0.99 -3.39 118.16 118.51 3ran n LYS 28 Ca -0.03 0.17 -0.05 0.00 -2.02 0.00 0.00 58.31 56.38 3ran n LYS 28 Cb 0.18 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.75 3ran n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ran h ARG 29 N 0.00 1.10 -5.82 1.97 2.47 -1.53 -3.37 114.38 109.20 3ran h ARG 29 Ca 0.00 -0.16 -0.42 0.00 -1.26 0.00 0.00 59.98 58.14 3ran h ARG 29 Cb 0.28 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3ran h ARG 29 CO 0.00 0.86 1.17 -1.58 0.56 0.00 0.00 179.97 180.98 3ran s HIS 30 N -5.71 1.57 0.20 3.04 2.46 -1.22 -1.70 115.29 113.93 3ran s HIS 30 Ca -0.13 0.95 -0.11 0.00 0.47 0.00 0.00 55.06 56.24 3ran s HIS 30 Cb 0.15 -3.96 0.15 0.00 -0.13 0.00 0.00 32.58 28.79 3ran s HIS 30 CO 0.82 -2.17 1.86 -0.07 -2.47 0.00 0.00 174.74 172.71 3ran h LEU 31 N 17.64 0.78 -0.85 8.88 3.38 -1.69 -2.96 115.31 140.50 3ran h LEU 31 Ca -0.16 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3ran h LEU 31 Cb 1.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3ran h LEU 31 CO 1.19 0.56 0.08 0.74 0.09 0.00 0.00 178.44 181.10 3ran h THR 32 N 0.92 1.25 -0.61 0.22 2.02 -1.92 -2.43 112.91 112.37 3ran h THR 32 Ca 0.27 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.48 3ran h THR 32 Cb -0.07 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3ran h THR 32 CO -0.07 0.36 0.41 1.23 0.37 0.00 0.00 175.52 177.81 3ran h GLY 33 N 1.01 0.85 0.73 2.16 0.00 -1.70 -1.51 103.07 104.61 3ran h GLY 33 Ca 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3ran h GLY 33 CO 0.01 0.29 -0.05 -2.09 0.00 0.00 0.00 176.54 174.70 3ran h GLU 34 N 0.79 0.26 -0.94 4.80 4.57 -1.35 -2.51 114.58 120.21 3ran h GLU 34 Ca 0.23 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3ran h GLU 34 Cb -0.02 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 3ran h GLU 34 CO -0.06 0.59 0.62 0.35 -1.18 0.00 0.00 179.01 179.33 3ran h PHE 35 N -0.07 1.17 -0.35 0.92 3.57 -1.10 -2.94 116.94 118.14 3ran h PHE 35 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3ran h PHE 35 Cb 0.51 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3ran h PHE 35 CO 0.06 0.72 0.00 0.39 -2.23 0.00 0.00 178.31 177.26 3ran n GLU 36 N -4.44 2.15 -1.35 1.11 -0.58 -0.60 -5.01 120.64 111.91 3ran n GLU 36 Ca 0.11 -1.75 -0.35 0.00 -0.42 0.00 0.00 57.16 54.75 3ran n GLU 36 Cb 0.03 -1.44 0.09 0.00 -0.57 0.00 0.00 31.44 29.55 3ran n GLU 36 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3ran n LYS 37 N 0.95 0.52 -4.39 3.49 2.85 -0.95 -4.78 118.16 115.85 3ran n LYS 37 Ca 0.18 0.24 -0.34 0.00 -1.05 0.00 0.00 58.31 57.34 3ran n LYS 37 Cb 0.46 -2.31 -0.14 0.00 -0.65 0.00 0.00 35.03 32.38 3ran n LYS 37 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3ran s LYS 38 N -3.51 3.33 -0.24 -1.58 2.20 -0.31 -4.94 119.74 114.68 3ran s LYS 38 Ca 0.75 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 55.48 3ran s LYS 38 Cb -0.34 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3ran s LYS 38 CO 0.49 0.02 0.55 -0.47 -0.36 0.00 0.00 175.35 175.58 3ran s TYR 39 N 0.86 3.30 -0.33 4.03 5.04 -1.26 -1.19 117.35 127.80 3ran s TYR 39 Ca -0.03 0.73 -0.05 0.00 -2.44 0.00 0.00 57.07 55.28 3ran s TYR 39 Cb -0.15 -2.75 0.04 0.00 0.35 0.00 0.00 41.96 39.45 3ran s TYR 39 CO 0.00 -0.25 0.08 0.08 -1.34 0.00 0.00 175.55 174.12 3ran s VAL 40 N 2.21 3.63 -0.40 3.14 1.01 -0.73 -5.00 120.40 124.26 3ran s VAL 40 Ca 0.24 -1.16 0.23 0.00 0.00 0.00 0.00 61.98 61.28 3ran s VAL 40 Cb -0.16 -3.05 0.27 0.00 0.00 0.00 0.00 36.38 33.45 3ran s VAL 40 CO 0.09 -0.15 1.51 0.00 0.00 0.00 0.00 175.10 176.56 3ran h ALA 41 N 8.17 0.91 -0.12 5.51 0.00 -1.96 -2.32 119.26 129.45 3ran h ALA 41 Ca -0.23 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ran h ALA 41 Cb 1.08 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3ran h ALA 41 CO 0.59 0.03 -0.22 1.79 0.00 0.00 0.00 179.25 181.44 3ran h THR 42 N 0.00 0.46 -0.53 0.00 1.35 -1.97 -2.54 112.91 109.69 3ran h THR 42 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.75 3ran h THR 42 Cb 1.02 0.46 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 3ran h THR 42 CO 0.00 0.00 0.10 0.00 -0.25 0.00 0.00 175.52 175.38 3ran n LEU 43 N -5.35 5.19 -3.97 3.87 -0.00 -1.25 -5.02 117.00 110.47 3ran n LEU 43 Ca -0.03 -3.17 -0.37 0.00 -0.00 0.00 0.00 56.01 52.45 3ran n LEU 43 Cb 0.27 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 3ran n LEU 43 CO 0.19 0.78 -0.19 0.61 -0.00 0.00 0.00 177.39 178.78 3ran n GLY 44 N -0.21 -0.69 3.13 1.47 0.00 -0.96 -4.93 105.19 103.01 3ran n GLY 44 Ca 0.32 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 3ran n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ran s VAL 45 N -3.70 0.72 -0.18 1.61 0.11 -0.88 -1.42 120.40 116.65 3ran s VAL 45 Ca 0.34 -1.51 -0.02 0.00 -2.93 0.00 0.00 61.98 57.87 3ran s VAL 45 Cb -0.16 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 3ran s VAL 45 CO 0.93 -0.58 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.41 3ran s GLU 46 N -2.62 3.31 -0.26 1.54 2.02 -0.69 -1.78 118.70 120.22 3ran s GLU 46 Ca 0.01 -0.68 -0.10 0.00 0.02 0.00 0.00 54.97 54.22 3ran s GLU 46 Cb -0.03 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3ran s GLU 46 CO -0.01 -0.06 0.17 0.08 0.02 0.00 0.00 175.26 175.45 3ran s VAL 47 N 1.06 5.25 -0.21 2.63 1.01 -0.33 -1.61 120.40 128.20 3ran s VAL 47 Ca -0.00 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3ran s VAL 47 Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3ran s VAL 47 CO -0.02 0.30 -0.04 -1.00 0.00 0.00 0.00 175.10 174.34 3ran s HIS 48 N 1.43 2.96 -0.97 5.22 3.76 -0.44 -1.17 115.29 126.08 3ran s HIS 48 Ca 0.07 -0.85 -0.24 0.00 -0.15 0.00 0.00 55.06 53.89 3ran s HIS 48 Cb -0.15 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.48 3ran s HIS 48 CO 0.08 -0.48 1.59 -1.25 -0.85 0.00 0.00 174.74 173.83 3ran s PRO 49 N 1.33 3.26 -0.46 8.40 0.04 -1.26 -1.18 135.00 145.12 3ran s PRO 49 Ca 0.04 -0.81 -0.20 0.00 0.04 0.00 0.00 61.00 60.06 3ran s PRO 49 Cb -0.14 -5.21 0.03 0.00 0.04 0.00 0.00 34.50 29.22 3ran s PRO 49 CO -0.02 -2.55 0.65 -0.51 0.04 0.00 0.00 177.00 174.61 3ran s LEU 50 N 6.56 4.60 -0.04 -3.56 1.43 0.11 -4.21 118.68 123.57 3ran s LEU 50 Ca 0.53 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 3ran s LEU 50 Cb -0.02 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3ran s LEU 50 CO -0.06 -0.83 0.56 -0.69 0.23 0.00 0.00 176.35 175.56 3ran s VAL 51 N 2.83 5.00 0.01 -1.59 1.01 -1.26 -0.65 120.40 125.75 3ran s VAL 51 Ca 0.21 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.39 3ran s VAL 51 Cb -0.15 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3ran s VAL 51 CO 0.17 0.39 -0.12 -0.36 0.00 0.00 0.00 175.10 175.18 3ran s PHE 52 N 0.03 1.08 -0.32 5.22 0.40 -0.53 -4.86 117.98 119.00 3ran s PHE 52 Ca 0.30 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.28 3ran s PHE 52 Cb -0.17 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.71 3ran s PHE 52 CO 0.15 0.00 0.10 -1.01 0.70 0.00 0.00 175.22 175.17 3ran s HIS 53 N -0.56 3.19 0.54 0.36 3.76 -1.26 -1.31 115.29 120.01 3ran s HIS 53 Ca 0.02 -1.12 0.08 0.00 -0.15 0.00 0.00 55.06 53.90 3ran s HIS 53 Cb -0.06 -2.28 0.07 0.00 1.11 0.00 0.00 32.58 31.41 3ran s HIS 53 CO 0.00 -0.63 0.74 0.95 -0.85 0.00 0.00 174.74 174.95 3ran s THR 54 N 1.47 2.41 0.36 1.30 -4.23 -0.17 -1.18 115.64 115.60 3ran s THR 54 Ca 0.01 -0.97 0.34 0.00 -1.18 0.00 0.00 61.69 59.90 3ran s THR 54 Cb -0.18 -2.44 0.37 0.00 1.34 0.00 0.00 72.50 71.58 3ran s THR 54 CO 0.03 0.00 2.11 -0.55 -0.54 0.00 0.00 174.62 175.67 3ran h ASN 55 N 0.27 0.00 -0.49 3.99 -1.07 -1.67 -0.53 115.58 116.08 3ran h ASN 55 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.04 3ran h ASN 55 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 3ran h ASN 55 CO 0.42 0.05 0.00 0.54 0.07 0.00 0.00 177.43 178.51 3ran n ARG 56 N -3.27 3.72 0.00 4.14 1.74 -1.26 -5.08 116.66 116.65 3ran n ARG 56 Ca -0.01 -2.86 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 3ran n ARG 56 Cb 0.23 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3ran n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ran n GLY 57 N 0.47 0.29 3.78 -0.13 0.00 -0.21 -5.08 105.19 104.31 3ran n GLY 57 Ca 0.23 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 3ran n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ran s PRO 58 N -0.52 4.53 0.14 1.61 0.04 -1.26 -1.00 135.00 138.53 3ran s PRO 58 Ca 0.00 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.23 3ran s PRO 58 Cb 0.00 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3ran s PRO 58 CO 0.00 0.53 -0.14 0.96 0.04 0.00 0.00 177.00 178.38 3ran s ILE 59 N -1.23 1.45 -0.13 0.56 -4.36 -0.42 -4.61 121.20 112.45 3ran s ILE 59 Ca 0.38 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3ran s ILE 59 Cb -0.22 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3ran s ILE 59 CO 0.25 -0.45 -0.11 -0.75 0.24 0.00 0.00 174.94 174.12 3ran s LYS 60 N -2.89 1.96 -0.31 0.37 2.20 -0.67 -1.45 119.74 118.94 3ran s LYS 60 Ca 0.12 -0.43 -0.12 0.00 -0.36 0.00 0.00 55.97 55.18 3ran s LYS 60 Cb -0.04 -1.87 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 3ran s LYS 60 CO 0.04 -0.24 0.23 -0.06 -0.36 0.00 0.00 175.35 174.97 3ran s PHE 61 N 1.54 3.22 -0.58 4.03 0.08 0.17 -1.46 117.98 124.98 3ran s PHE 61 Ca 0.04 -0.04 -0.20 0.00 0.12 0.00 0.00 56.93 56.85 3ran s PHE 61 Cb -0.13 -2.45 0.08 0.00 -0.57 0.00 0.00 43.02 39.94 3ran s PHE 61 CO -0.09 -0.28 0.77 -0.80 -0.10 0.00 0.00 175.22 174.72 3ran s ASN 62 N 1.74 6.21 -0.25 1.36 0.02 0.23 0.07 114.94 124.31 3ran s ASN 62 Ca 0.07 -1.09 -0.18 0.00 -1.02 0.00 0.00 52.86 50.64 3ran s ASN 62 Cb -0.17 -2.34 -0.03 0.00 0.02 0.00 0.00 41.25 38.74 3ran s ASN 62 CO 0.11 -1.15 0.53 -0.69 0.02 0.00 0.00 177.10 175.92 3ran s VAL 63 N 3.12 5.06 -0.30 1.60 1.01 -0.33 -0.44 120.40 130.13 3ran s VAL 63 Ca 0.17 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 62.88 3ran s VAL 63 Cb -0.20 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3ran s VAL 63 CO 0.10 0.09 0.61 0.26 0.00 0.00 0.00 175.10 176.16 3ran s TRP 64 N 2.23 3.23 -0.17 5.22 0.52 -0.64 -1.33 118.94 127.99 3ran s TRP 64 Ca 0.22 0.61 -0.00 0.00 0.02 0.00 0.00 56.10 56.95 3ran s TRP 64 Cb -0.16 -2.94 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 3ran s TRP 64 CO 0.09 -0.44 -0.15 0.34 0.02 0.00 0.00 176.95 176.82 3ran s ASP 65 N 1.61 3.61 0.63 2.95 2.15 -0.63 -2.99 116.67 124.00 3ran s ASP 65 Ca 0.25 -0.51 -0.17 0.00 0.43 0.00 0.00 52.55 52.55 3ran s ASP 65 Cb -0.15 -1.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.89 3ran s ASP 65 CO 0.11 0.04 1.16 0.28 -0.17 0.00 0.00 175.17 176.59 3ran s THR 66 N 1.08 2.84 -2.64 1.71 -1.32 -1.26 -1.70 115.64 114.34 3ran s THR 66 Ca -0.00 0.46 0.24 0.00 -1.21 0.00 0.00 61.69 61.17 3ran s THR 66 Cb -0.14 -3.07 0.14 0.00 -1.51 0.00 0.00 72.50 67.91 3ran s THR 66 CO -0.04 -0.18 1.23 0.00 -2.21 0.00 0.00 174.62 173.41 3ran n ALA 67 N -2.03 2.84 -2.22 11.08 0.00 -0.51 -4.84 120.51 124.84 3ran n ALA 67 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3ran n ALA 67 Cb 0.51 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3ran n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ran n GLY 68 N 1.37 3.09 2.47 0.00 0.00 -1.26 -5.06 105.19 105.80 3ran n GLY 68 Ca 0.13 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 3ran n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ran n LEU 69 N 0.00 3.16 -4.77 0.99 4.77 -1.26 -4.99 117.00 114.90 3ran n LEU 69 Ca 0.00 -3.98 -0.39 0.00 -0.03 0.00 0.00 56.01 51.61 3ran n LEU 69 Cb 0.00 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ran n LEU 69 CO 0.00 1.62 0.97 -1.61 -1.33 0.00 0.00 177.39 177.05 3ran s GLU 70 N -3.63 3.79 0.45 3.23 8.01 -1.26 -4.72 118.70 124.58 3ran s GLU 70 Ca 0.38 2.19 0.01 0.00 0.01 0.00 0.00 54.97 57.56 3ran s GLU 70 Cb 0.38 -2.65 -0.00 0.00 -4.31 0.00 0.00 34.13 27.55 3ran s GLU 70 CO -0.02 -0.65 0.67 -1.59 0.01 0.00 0.00 175.26 173.68 3ran s LYS 71 N -2.40 3.04 0.00 1.61 -2.85 -1.26 -4.55 119.74 113.33 3ran s LYS 71 Ca 0.60 -0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 54.74 3ran s LYS 71 Cb -0.39 -2.57 -0.08 0.00 -2.06 0.00 0.00 37.83 32.73 3ran s LYS 71 CO 0.49 -0.28 1.94 -0.59 0.10 0.00 0.00 175.35 177.01 3ran s PHE 72 N -2.55 1.38 0.00 1.78 -0.12 -1.26 -0.18 117.98 117.03 3ran s PHE 72 Ca 0.49 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 3ran s PHE 72 Cb -0.10 -4.18 0.00 0.00 -0.63 0.00 0.00 43.02 38.11 3ran s PHE 72 CO 0.38 -5.22 0.00 0.41 -0.05 0.00 0.00 175.22 170.74 3ran n GLY 73 N 4.57 0.83 1.02 1.99 0.00 -1.26 -4.95 105.19 107.39 3ran n GLY 73 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3ran n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ran n GLY 74 N -2.27 2.40 3.98 -0.02 0.00 0.74 -4.87 105.19 105.15 3ran n GLY 74 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 3ran n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ran s LEU 75 N -1.05 3.68 0.00 0.99 1.43 -1.26 -4.74 118.68 117.73 3ran s LEU 75 Ca 0.37 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3ran s LEU 75 Cb 0.19 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.87 3ran s LEU 75 CO 0.26 -0.66 0.23 0.54 0.23 0.00 0.00 176.35 176.95 3ran n ARG 76 N -1.74 1.04 0.17 1.70 3.00 -1.26 -5.04 116.66 114.53 3ran n ARG 76 Ca 0.05 -1.85 0.02 0.00 -0.01 0.00 0.00 57.85 56.06 3ran n ARG 76 Cb 0.59 0.18 0.30 0.00 0.00 0.00 0.00 32.46 33.53 3ran n ARG 76 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3ran h ASP 77 N 0.34 0.00 0.17 0.55 5.19 -2.00 -2.81 116.42 117.86 3ran h ASP 77 Ca -0.19 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.17 3ran h ASP 77 Cb 0.69 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 3ran h ASP 77 CO 0.29 0.46 -0.21 1.23 -3.12 0.00 0.00 179.24 177.89 3ran h GLY 78 N 1.49 0.09 0.95 2.75 0.00 -1.96 0.16 103.07 106.55 3ran h GLY 78 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3ran h GLY 78 CO 0.06 0.05 -0.24 -1.82 0.00 0.00 0.00 176.54 174.59 3ran h TYR 79 N 0.08 -0.63 0.00 5.60 3.20 -1.89 -3.30 116.97 120.04 3ran h TYR 79 Ca 0.01 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 3ran h TYR 79 Cb 0.42 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3ran h TYR 79 CO 0.00 -0.36 -0.65 1.88 -1.64 0.00 0.00 178.16 177.39 3ran h TYR 80 N -0.73 0.00 -1.49 -3.82 0.05 -1.56 -3.47 116.97 105.95 3ran h TYR 80 Ca -0.07 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 57.96 3ran h TYR 80 Cb 0.55 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.31 3ran h TYR 80 CO -0.03 0.65 0.80 1.51 -1.05 0.00 0.00 178.16 180.04 3ran n ILE 81 N -3.45 0.22 -1.41 -2.88 3.06 0.55 -1.97 119.36 113.48 3ran n ILE 81 Ca 0.00 -0.04 -0.09 0.00 -2.50 0.00 0.00 62.75 60.13 3ran n ILE 81 Cb 0.72 -1.06 -0.03 0.00 0.54 0.00 0.00 39.64 39.81 3ran n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ran n GLN 82 N 4.75 -0.61 -2.18 9.51 6.02 -1.26 -5.01 117.38 128.60 3ran n GLN 82 Ca 0.26 0.73 -0.38 0.00 -0.01 0.00 0.00 57.00 57.60 3ran n GLN 82 Cb 0.11 -4.61 -0.01 0.00 1.02 0.00 0.00 30.24 26.75 3ran n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ran s ALA 83 N -2.34 3.10 -0.65 -1.58 0.00 -0.83 -4.83 121.76 114.63 3ran s ALA 83 Ca 0.00 1.05 0.15 0.00 0.00 0.00 0.00 51.96 53.16 3ran s ALA 83 Cb 0.00 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 3ran s ALA 83 CO 0.00 -0.71 0.61 1.04 0.00 0.00 0.00 175.76 176.70 3ran n GLN 84 N -0.17 1.88 -3.75 0.00 6.02 -0.93 -4.99 117.38 115.44 3ran n GLN 84 Ca 0.05 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 57.00 3ran n GLN 84 Cb 0.46 -1.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 3ran n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ran s ALA 86 N -3.23 -1.50 -0.12 0.00 0.00 -1.17 -2.85 121.76 112.89 3ran s ALA 86 Ca 0.12 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3ran s ALA 86 Cb -0.01 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3ran s ALA 86 CO 0.02 -0.69 -0.20 0.42 0.00 0.00 0.00 175.76 175.31 3ran s ILE 87 N -3.38 1.87 -0.17 0.00 1.01 -0.15 -2.27 121.20 118.11 3ran s ILE 87 Ca -0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3ran s ILE 87 Cb -0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3ran s ILE 87 CO -0.09 0.51 0.03 -0.63 0.00 0.00 0.00 174.94 174.76 3ran s ILE 88 N 0.77 4.48 0.05 2.92 1.01 -0.58 -1.54 121.20 128.31 3ran s ILE 88 Ca -0.10 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.49 3ran s ILE 88 Cb -0.16 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3ran s ILE 88 CO 0.00 0.48 -0.23 -0.32 0.00 0.00 0.00 174.94 174.87 3ran s MET 89 N 0.27 1.88 0.16 2.79 1.75 -0.64 -1.34 119.30 124.18 3ran s MET 89 Ca 0.01 -1.07 0.01 0.00 -1.25 0.00 0.00 55.69 53.39 3ran s MET 89 Cb -0.13 -2.05 -0.04 0.00 2.84 0.00 0.00 34.83 35.44 3ran s MET 89 CO 0.01 0.52 0.02 -0.59 -0.65 0.00 0.00 175.02 174.33 3ran s PHE 90 N -0.86 1.12 -0.21 4.11 -0.71 -0.93 -4.25 117.98 116.24 3ran s PHE 90 Ca 0.13 -1.09 -0.08 0.00 -1.04 0.00 0.00 56.93 54.85 3ran s PHE 90 Cb -0.10 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 3ran s PHE 90 CO 0.03 -0.30 0.09 0.34 -1.34 0.00 0.00 175.22 174.04 3ran s ASP 91 N -3.14 5.67 0.00 1.98 -1.08 -1.26 -1.19 116.67 117.65 3ran s ASP 91 Ca 0.24 0.04 0.21 0.00 -0.52 0.00 0.00 52.55 52.53 3ran s ASP 91 Cb 0.07 -1.99 0.94 0.00 -1.46 0.00 0.00 42.92 40.47 3ran s ASP 91 CO 0.04 0.11 1.69 1.33 0.52 0.00 0.00 175.17 178.86 3ran n VAL 92 N 3.96 0.50 0.47 1.11 0.24 -0.45 -2.54 118.33 121.63 3ran n VAL 92 Ca -0.16 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 62.37 3ran n VAL 92 Cb 0.52 -0.76 0.27 0.00 -1.47 0.00 0.00 33.84 32.40 3ran n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ran n THR 93 N -1.48 0.52 -3.56 3.34 -2.24 -1.26 -1.71 114.28 107.90 3ran n THR 93 Ca 0.06 -0.66 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 3ran n THR 93 Cb 0.24 0.65 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 3ran n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ran s SER 94 N -1.35 3.48 0.31 3.42 0.15 -1.05 -4.75 113.70 113.90 3ran s SER 94 Ca 0.37 -1.26 0.03 0.00 0.70 0.00 0.00 55.95 55.80 3ran s SER 94 Cb 0.21 -0.37 0.63 0.00 -1.71 0.00 0.00 66.02 64.77 3ran s SER 94 CO 0.29 -0.43 1.86 0.03 1.20 0.00 0.00 173.24 176.18 3ran h ARG 95 N 8.39 0.89 -0.12 5.44 3.08 -1.88 -2.75 114.38 127.43 3ran h ARG 95 Ca -0.19 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 3ran h ARG 95 Cb 1.02 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3ran h ARG 95 CO 0.43 0.59 -0.24 -0.24 -1.07 0.00 0.00 179.97 179.44 3ran h VAL 96 N 0.91 1.23 -0.28 2.04 3.04 -1.97 -2.82 116.25 118.41 3ran h VAL 96 Ca 0.47 -1.06 -0.05 0.00 -1.01 0.00 0.00 66.70 65.05 3ran h VAL 96 Cb 0.51 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 3ran h VAL 96 CO -0.23 0.32 -0.03 0.71 -1.01 0.00 0.00 177.57 177.33 3ran h THR 97 N 0.19 1.19 0.00 3.17 1.35 -1.82 -2.46 112.91 114.53 3ran h THR 97 Ca 0.03 -0.76 -0.11 0.00 -0.55 0.00 0.00 66.41 65.02 3ran h THR 97 Cb 0.54 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3ran h THR 97 CO 0.04 0.25 -0.55 0.22 -0.25 0.00 0.00 175.52 175.23 3ran h TYR 98 N 0.41 0.00 0.00 4.73 3.20 -1.62 -3.22 116.97 120.47 3ran h TYR 98 Ca 0.09 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3ran h TYR 98 Cb 0.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3ran h TYR 98 CO 0.01 0.52 -0.50 0.87 -1.64 0.00 0.00 178.16 177.41 3ran h LYS 99 N 0.00 0.00 0.00 1.82 1.57 -1.28 -2.96 116.57 115.73 3ran h LYS 99 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ran h LYS 99 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 3ran h LYS 99 CO 0.07 0.50 0.00 0.09 -0.57 0.00 0.00 179.45 179.54 3ran n ASN 100 N -3.65 0.35 -0.15 0.86 3.02 -0.95 -4.29 115.26 110.45 3ran n ASN 100 Ca -0.01 0.55 -0.06 0.00 -0.03 0.00 0.00 54.58 55.03 3ran n ASN 100 Cb 0.57 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 3ran n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3ran h VAL 101 N 0.00 0.27 -1.00 2.41 2.07 -1.60 -2.01 116.25 116.39 3ran h VAL 101 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 3ran h VAL 101 Cb 0.52 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 3ran h VAL 101 CO 0.00 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 177.56 3ran h PRO 102 N -0.18 0.76 -0.56 1.57 0.11 -1.81 -0.91 132.00 130.99 3ran h PRO 102 Ca 0.21 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 3ran h PRO 102 Cb 0.51 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3ran h PRO 102 CO -0.57 0.50 0.19 -0.91 -0.21 0.00 0.00 178.00 176.99 3ran h ASN 103 N 0.78 0.80 -0.29 -2.05 -0.26 -1.66 -1.07 115.58 111.83 3ran h ASN 103 Ca 0.55 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 56.09 3ran h ASN 103 Cb 0.84 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 3ran h ASN 103 CO -0.34 0.79 0.15 -0.50 -1.06 0.00 0.00 177.43 176.47 3ran h TRP 104 N 0.77 0.41 -0.45 1.19 4.06 -0.87 -2.63 115.95 118.43 3ran h TRP 104 Ca 0.18 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.12 3ran h TRP 104 Cb 0.26 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3ran h TRP 104 CO 0.02 0.36 0.29 1.25 -3.56 0.00 0.00 178.44 176.79 3ran h HIS 105 N 0.34 0.57 -0.09 0.49 2.76 -1.16 -2.92 115.15 115.13 3ran h HIS 105 Ca 0.10 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3ran h HIS 105 Cb 0.09 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.80 3ran h HIS 105 CO -0.02 0.37 -0.49 -0.09 -1.30 0.00 0.00 177.93 176.40 3ran h ARG 106 N 0.60 -0.55 -0.45 5.26 2.43 -1.02 -2.36 114.38 118.28 3ran h ARG 106 Ca 0.16 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3ran h ARG 106 Cb -0.05 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 3ran h ARG 106 CO -0.03 -0.37 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.25 3ran h ASP 107 N -0.57 -1.30 -0.41 -3.80 3.32 -1.41 -2.35 116.42 109.90 3ran h ASP 107 Ca 0.05 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.37 3ran h ASP 107 Cb 0.67 0.56 -0.09 0.00 0.22 0.00 0.00 39.33 40.69 3ran h ASP 107 CO -0.40 -0.21 -0.21 -0.07 -1.72 0.00 0.00 179.24 176.64 3ran h LEU 108 N -0.13 -0.71 -0.46 1.55 3.38 -1.39 -1.02 115.31 116.53 3ran h LEU 108 Ca 0.07 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ran h LEU 108 Cb 0.33 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ran h LEU 108 CO -0.49 -0.24 0.00 0.52 0.09 0.00 0.00 178.44 178.32 3ran n VAL 109 N -5.38 0.75 0.15 1.22 0.31 -0.90 -0.65 118.33 113.83 3ran n VAL 109 Ca 0.02 0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.46 3ran n VAL 109 Cb 0.29 -0.99 0.21 0.00 -0.91 0.00 0.00 33.84 32.45 3ran n VAL 109 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3ran h ARG 110 N 0.00 0.00 0.00 5.55 2.43 -0.62 -3.00 114.38 118.74 3ran h ARG 110 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 3ran h ARG 110 Cb 0.46 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3ran h ARG 110 CO 0.00 0.54 -1.81 0.28 -1.51 0.00 0.00 179.97 177.47 3ran n VAL 111 N -3.64 0.82 -0.01 0.20 0.31 -0.98 -4.78 118.33 110.25 3ran n VAL 111 Ca -0.01 -0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.01 3ran n VAL 111 Cb 0.60 -0.92 -0.14 0.00 -0.91 0.00 0.00 33.84 32.48 3ran n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ran n GLU 113 N -2.47 0.00 -2.11 0.00 1.02 -1.13 -4.35 120.64 111.60 3ran n GLU 113 Ca -0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.67 3ran n GLU 113 Cb 0.70 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.10 3ran n GLU 113 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ran n ASN 114 N 3.73 3.84 -4.43 1.62 3.02 -1.26 -4.75 115.26 117.03 3ran n ASN 114 Ca 0.00 -2.80 -0.29 0.00 -0.03 0.00 0.00 54.58 51.45 3ran n ASN 114 Cb 0.00 -1.65 -0.12 0.00 -0.61 0.00 0.00 39.78 37.39 3ran n ASN 114 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3ran s ILE 115 N 6.59 2.52 0.03 2.41 -4.36 -1.26 -5.12 121.20 122.01 3ran s ILE 115 Ca 0.59 -1.60 -0.30 0.00 -0.26 0.00 0.00 60.65 59.08 3ran s ILE 115 Cb 0.05 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 3ran s ILE 115 CO 0.08 0.13 1.04 -2.16 0.24 0.00 0.00 174.94 174.27 3ran s PRO 116 N -2.00 4.54 -0.04 0.37 0.04 -1.26 -4.96 135.00 131.69 3ran s PRO 116 Ca 0.15 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.76 3ran s PRO 116 Cb -0.10 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3ran s PRO 116 CO 0.07 -0.07 -0.18 0.42 0.04 0.00 0.00 177.00 177.28 3ran s ILE 117 N 0.88 1.49 -0.11 0.56 1.01 -1.14 -3.07 121.20 120.83 3ran s ILE 117 Ca 0.53 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3ran s ILE 117 Cb -0.24 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 3ran s ILE 117 CO 0.29 0.43 -0.15 -0.69 0.00 0.00 0.00 174.94 174.81 3ran s VAL 118 N -0.06 2.86 -0.16 2.92 1.01 -0.96 -2.51 120.40 123.50 3ran s VAL 118 Ca -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 3ran s VAL 118 Cb -0.11 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3ran s VAL 118 CO 0.02 0.54 0.01 -0.22 0.00 0.00 0.00 175.10 175.45 3ran s LEU 119 N 0.11 3.54 -0.11 3.92 2.96 0.32 -1.52 118.68 127.91 3ran s LEU 119 Ca -0.07 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3ran s LEU 119 Cb -0.15 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3ran s LEU 119 CO 0.05 0.20 -0.19 0.00 -1.32 0.00 0.00 176.35 175.09 3ran s GLY 121 N 0.73 1.97 0.40 0.00 0.00 -0.93 -2.20 107.32 107.29 3ran s GLY 121 Ca -0.11 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 42.97 3ran s GLY 121 CO 0.02 1.00 0.61 0.21 0.00 0.00 0.00 173.10 174.95 3ran s ASN 122 N 1.72 6.05 -0.23 1.64 2.47 -0.33 -1.04 114.94 125.22 3ran s ASN 122 Ca 0.07 0.35 -0.01 0.00 0.42 0.00 0.00 52.86 53.70 3ran s ASN 122 Cb -0.18 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.86 3ran s ASN 122 CO 0.11 -0.51 0.13 0.29 -3.72 0.00 0.00 177.10 173.40 3ran n LYS 123 N -1.94 -0.95 0.00 0.43 5.02 -0.97 -1.34 118.16 118.41 3ran n LYS 123 Ca -0.01 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3ran n LYS 123 Cb 0.57 -3.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.31 3ran n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3ran n VAL 124 N -3.22 0.00 0.06 -0.18 0.24 -1.22 -2.78 118.33 111.22 3ran n VAL 124 Ca -0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 3ran n VAL 124 Cb 0.52 -0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 3ran n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3ran h ASP 125 N 0.01 0.00 -2.82 -1.34 2.03 -1.90 -3.45 116.42 108.96 3ran h ASP 125 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3ran h ASP 125 Cb 0.11 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.58 3ran h ASP 125 CO 0.00 0.97 0.96 -0.63 -1.03 0.00 0.00 179.24 179.51 3ran s ILE 126 N -2.71 4.06 0.25 4.15 1.01 -1.12 -4.84 121.20 122.00 3ran s ILE 126 Ca 0.01 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 3ran s ILE 126 Cb 0.10 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.82 3ran s ILE 126 CO 0.82 -0.11 1.71 0.11 0.00 0.00 0.00 174.94 177.46 3ran h LYS 127 N 8.62 0.70 -5.12 2.79 1.57 -1.90 -3.37 116.57 119.86 3ran h LYS 127 Ca -0.31 -0.24 -0.71 0.00 -1.87 0.00 0.00 60.65 57.53 3ran h LYS 127 Cb 1.13 -0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.23 3ran h LYS 127 CO 0.96 0.81 1.55 0.34 -0.57 0.00 0.00 179.45 182.55 3ran s ASP 128 N -6.73 6.96 -0.16 0.86 2.15 -1.26 -4.96 116.67 113.53 3ran s ASP 128 Ca -0.09 -2.73 -0.22 0.00 0.43 0.00 0.00 52.55 49.95 3ran s ASP 128 Cb 0.14 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 3ran s ASP 128 CO 0.81 -0.91 0.66 -0.60 -0.17 0.00 0.00 175.17 174.96 3ran s ARG 129 N 2.49 4.28 -0.18 4.34 3.52 -1.26 -4.77 118.95 127.37 3ran s ARG 129 Ca 0.45 0.71 -0.09 0.00 -0.13 0.00 0.00 55.73 56.68 3ran s ARG 129 Cb -0.01 -3.54 -0.21 0.00 -1.56 0.00 0.00 34.95 29.63 3ran s ARG 129 CO 0.01 -0.15 0.13 1.63 -0.81 0.00 0.00 175.30 176.11 3ran n LYS 130 N 4.67 0.68 -3.33 5.12 4.76 -0.71 -4.80 118.16 124.54 3ran n LYS 130 Ca -0.01 0.30 -0.44 0.00 -2.87 0.00 0.00 58.31 55.29 3ran n LYS 130 Cb 0.50 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.96 3ran n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ran s VAL 131 N -2.51 5.13 0.46 -0.18 1.01 -0.69 -5.03 120.40 118.59 3ran s VAL 131 Ca -0.28 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.01 3ran s VAL 131 Cb 0.08 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3ran s VAL 131 CO 0.67 -0.58 0.49 -0.54 0.00 0.00 0.00 175.10 175.14 3ran s LYS 132 N 1.97 2.52 0.25 2.72 1.02 -1.26 -4.91 119.74 122.05 3ran s LYS 132 Ca 0.08 -1.55 -0.04 0.00 0.02 0.00 0.00 55.97 54.48 3ran s LYS 132 Cb -0.21 -2.47 0.47 0.00 -0.52 0.00 0.00 37.83 35.09 3ran s LYS 132 CO 0.09 -0.38 1.72 0.00 -0.92 0.00 0.00 175.35 175.86 3ran h ALA 133 N 0.76 1.04 -0.69 5.17 0.00 -1.93 -1.58 119.26 122.02 3ran h ALA 133 Ca -0.38 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ran h ALA 133 Cb 1.28 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3ran h ALA 133 CO 0.52 -0.25 0.39 1.57 0.00 0.00 0.00 179.25 181.48 3ran h LYS 134 N 0.39 0.94 0.00 0.00 2.10 -1.95 0.45 116.57 118.50 3ran h LYS 134 Ca 0.42 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3ran h LYS 134 Cb 0.66 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3ran h LYS 134 CO -0.44 0.68 0.00 0.43 -2.00 0.00 0.00 179.45 178.12 3ran n SER 135 N -4.38 0.00 -4.43 7.07 7.64 -0.62 -4.63 113.62 114.27 3ran n SER 135 Ca 0.07 0.33 -0.44 0.00 1.01 0.00 0.00 58.87 59.84 3ran n SER 135 Cb 0.09 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 3ran n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ran s ILE 136 N -2.87 4.68 0.00 0.44 1.01 0.16 -4.48 121.20 120.13 3ran s ILE 136 Ca 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3ran s ILE 136 Cb 0.16 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3ran s ILE 136 CO 0.42 -1.38 0.03 0.55 0.00 0.00 0.00 174.94 174.56 3ran n VAL 137 N 5.54 0.00 0.25 2.92 3.14 -1.26 -4.97 118.33 123.95 3ran n VAL 137 Ca 0.08 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.53 3ran n VAL 137 Cb 0.46 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.48 3ran n VAL 137 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3ran n PHE 138 N 0.00 0.82 -1.98 1.45 3.01 -1.26 -4.18 117.46 115.32 3ran n PHE 138 Ca 0.00 -0.37 -0.05 0.00 1.01 0.00 0.00 57.45 58.04 3ran n PHE 138 Cb 0.10 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 3ran n PHE 138 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3ran n HIS 139 N 0.90 -0.19 -1.14 1.38 -0.00 -1.26 -5.00 115.22 109.92 3ran n HIS 139 Ca 0.18 -0.51 0.06 0.00 0.46 0.00 0.00 57.72 57.91 3ran n HIS 139 Cb 0.52 0.55 0.22 0.00 -0.12 0.00 0.00 29.99 31.16 3ran n HIS 139 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3ran n ARG 140 N -0.14 2.25 0.03 1.57 1.85 -1.26 -4.78 116.66 116.17 3ran n ARG 140 Ca -0.21 -2.88 -0.22 0.00 -1.00 0.00 0.00 57.85 53.54 3ran n ARG 140 Cb 0.63 -1.75 -0.14 0.00 -1.05 0.00 0.00 32.46 30.15 3ran n ARG 140 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3ran h LYS 141 N 1.17 0.29 0.00 2.89 1.63 -1.91 -3.44 116.57 117.20 3ran h LYS 141 Ca 0.05 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3ran h LYS 141 Cb 1.37 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.18 3ran h LYS 141 CO 0.20 1.23 0.00 1.63 -3.45 0.00 0.00 179.45 179.06 3ran n LYS 142 N -3.82 3.46 -3.24 1.90 5.02 -1.26 -4.90 118.16 115.32 3ran n LYS 142 Ca -0.25 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.58 3ran n LYS 142 Cb 0.95 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.95 3ran n LYS 142 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ran s ASN 143 N -1.00 6.92 -0.19 4.39 0.02 -1.26 -4.84 114.94 118.98 3ran s ASN 143 Ca 0.00 -2.87 -0.04 0.00 -1.02 0.00 0.00 52.86 48.93 3ran s ASN 143 Cb 0.00 -2.25 0.06 0.00 0.02 0.00 0.00 41.25 39.08 3ran s ASN 143 CO 0.00 -0.58 0.07 -0.22 0.02 0.00 0.00 177.10 176.39 3ran s LEU 144 N 0.26 0.76 -0.02 0.60 2.96 -1.25 -2.90 118.68 119.09 3ran s LEU 144 Ca 0.26 -0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3ran s LEU 144 Cb -0.09 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 3ran s LEU 144 CO -0.08 -0.34 0.09 -1.58 -1.32 0.00 0.00 176.35 173.12 3ran s GLN 145 N 2.00 3.12 -0.09 1.98 2.00 -1.04 -4.73 119.66 122.90 3ran s GLN 145 Ca 0.01 -0.44 -0.03 0.00 -2.00 0.00 0.00 55.36 52.90 3ran s GLN 145 Cb -0.16 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.71 3ran s GLN 145 CO -0.10 0.66 0.06 -0.47 -0.50 0.00 0.00 175.29 174.94 3ran s TYR 146 N -1.17 3.32 -0.03 1.67 5.04 -1.26 -0.52 117.35 124.41 3ran s TYR 146 Ca 0.22 0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 55.15 3ran s TYR 146 Cb -0.12 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.38 3ran s TYR 146 CO 0.13 0.57 0.05 0.71 -1.34 0.00 0.00 175.55 175.67 3ran s TYR 147 N -0.96 -0.03 0.15 4.97 2.02 -0.74 -4.97 117.35 117.79 3ran s TYR 147 Ca 0.15 0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.73 3ran s TYR 147 Cb -0.12 -0.12 -0.07 0.00 -0.40 0.00 0.00 41.96 41.25 3ran s TYR 147 CO 0.04 -0.08 1.14 -0.51 -1.57 0.00 0.00 175.55 174.57 3ran s ASP 148 N 0.73 7.18 0.05 2.29 1.01 -1.26 -2.18 116.67 124.48 3ran s ASP 148 Ca -0.06 2.10 0.04 0.00 0.71 0.00 0.00 52.55 55.34 3ran s ASP 148 Cb -0.08 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 3ran s ASP 148 CO -0.02 -0.31 -0.12 -0.63 0.21 0.00 0.00 175.17 174.29 3ran s ILE 149 N 0.11 0.96 -0.41 0.77 -1.09 -0.20 -4.73 121.20 116.60 3ran s ILE 149 Ca 0.52 -1.05 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 3ran s ILE 149 Cb -0.30 -0.91 0.13 0.00 -1.58 0.00 0.00 42.46 39.80 3ran s ILE 149 CO 0.34 -0.12 0.22 -0.55 -1.23 0.00 0.00 174.94 173.59 3ran s SER 150 N -1.33 3.63 0.25 3.58 0.15 -1.04 -2.29 113.70 116.65 3ran s SER 150 Ca -0.02 -2.45 -0.10 0.00 0.70 0.00 0.00 55.95 54.09 3ran s SER 150 Cb -0.08 -0.95 0.38 0.00 -1.71 0.00 0.00 66.02 63.66 3ran s SER 150 CO 0.01 -0.29 1.60 0.00 1.20 0.00 0.00 173.24 175.76 3ran h ALA 151 N 6.94 0.60 0.00 5.45 0.00 -1.94 -2.08 119.26 128.22 3ran h ALA 151 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ran h ALA 151 Cb 0.94 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3ran h ALA 151 CO 0.46 -0.41 0.00 0.87 0.00 0.00 0.00 179.25 180.16 3ran h LYS 152 N 0.01 0.00 -0.04 0.00 1.79 -1.96 -3.15 116.57 113.23 3ran h LYS 152 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3ran h LYS 152 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3ran h LYS 152 CO -0.82 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 176.42 3ran n SER 153 N -2.43 2.10 -0.86 0.86 3.41 -0.83 -1.14 113.62 114.73 3ran n SER 153 Ca 0.03 -1.55 -0.11 0.00 -0.26 0.00 0.00 58.87 56.98 3ran n SER 153 Cb 0.31 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 3ran n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ran n ASN 154 N 0.70 -4.91 -4.65 4.04 3.02 -0.89 -4.80 115.26 107.75 3ran n ASN 154 Ca 0.08 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.48 3ran n ASN 154 Cb 0.32 -3.40 -0.02 0.00 -0.61 0.00 0.00 39.78 36.06 3ran n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ran s TYR 155 N -2.23 2.42 -1.39 3.10 5.04 -1.11 -2.47 117.35 120.71 3ran s TYR 155 Ca 0.00 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 3ran s TYR 155 Cb 0.00 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.57 3ran s TYR 155 CO 0.00 -2.66 0.00 0.09 -1.34 0.00 0.00 175.55 171.64 3ran n ASN 156 N 7.09 -4.66 -0.29 4.32 3.02 -1.26 -2.48 115.26 120.99 3ran n ASN 156 Ca 0.16 0.08 -0.04 0.00 -0.03 0.00 0.00 54.58 54.75 3ran n ASN 156 Cb 0.44 -3.73 0.07 0.00 -0.61 0.00 0.00 39.78 35.96 3ran n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3ran h PHE 157 N 0.00 0.98 0.00 3.10 3.57 -1.86 -2.86 116.94 119.87 3ran h PHE 157 Ca -0.35 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.11 3ran h PHE 157 Cb 1.20 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3ran h PHE 157 CO 0.41 0.61 -0.28 1.05 -2.23 0.00 0.00 178.31 177.87 3ran h GLU 158 N 1.06 0.00 -0.20 1.11 9.09 -1.92 -3.39 114.58 120.32 3ran h GLU 158 Ca 0.29 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.76 3ran h GLU 158 Cb -0.11 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 26.92 3ran h GLU 158 CO -0.07 0.28 -0.27 0.87 0.05 0.00 0.00 179.01 179.87 3ran h LYS 159 N 0.00 -0.29 -0.35 1.06 1.79 -1.93 0.88 116.57 117.73 3ran h LYS 159 Ca -0.00 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 3ran h LYS 159 Cb 0.95 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 3ran h LYS 159 CO 0.04 -0.19 0.22 -1.35 -1.08 0.00 0.00 179.45 177.09 3ran h PRO 160 N -0.30 0.44 -0.59 3.15 0.11 -1.77 -1.03 132.00 132.01 3ran h PRO 160 Ca 0.12 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 3ran h PRO 160 Cb 0.49 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3ran h PRO 160 CO -0.37 0.29 0.09 0.74 -0.21 0.00 0.00 178.00 178.54 3ran h PHE 161 N 0.46 1.05 -0.63 0.65 0.04 -1.72 -2.64 116.94 114.14 3ran h PHE 161 Ca 0.13 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3ran h PHE 161 Cb -0.03 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.80 3ran h PHE 161 CO -0.06 0.91 0.28 1.25 -0.60 0.00 0.00 178.31 180.09 3ran h LEU 162 N 0.88 0.84 -0.37 1.54 5.85 -0.65 -2.37 115.31 121.04 3ran h LEU 162 Ca 0.18 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ran h LEU 162 Cb 0.42 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3ran h LEU 162 CO 0.01 0.76 0.20 -0.25 -0.34 0.00 0.00 178.44 178.81 3ran h TRP 163 N 0.87 0.51 -0.70 1.25 7.01 -1.07 -3.00 115.95 120.82 3ran h TRP 163 Ca 0.21 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3ran h TRP 163 Cb 0.15 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 3ran h TRP 163 CO 0.01 0.41 0.39 -0.07 -2.79 0.00 0.00 178.44 176.38 3ran h LEU 164 N 0.46 0.88 -0.82 0.65 3.38 -1.43 -3.02 115.31 115.41 3ran h LEU 164 Ca 0.13 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ran h LEU 164 Cb 0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ran h LEU 164 CO -0.02 0.72 0.54 0.00 0.09 0.00 0.00 178.44 179.77 3ran h ALA 165 N 1.19 1.05 -0.30 1.53 0.00 -1.41 -0.66 119.26 120.66 3ran h ALA 165 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ran h ALA 165 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ran h ALA 165 CO -0.04 0.41 0.17 0.00 0.00 0.00 0.00 179.25 179.80 3ran h ARG 166 N 1.08 0.34 -0.14 0.00 3.08 -1.48 -1.22 114.38 116.03 3ran h ARG 166 Ca 0.31 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3ran h ARG 166 Cb -0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3ran h ARG 166 CO -0.08 0.23 0.03 0.87 -1.07 0.00 0.00 179.97 179.95 3ran h LYS 167 N 0.35 0.23 -0.24 0.04 1.79 -1.37 0.33 116.57 117.70 3ran h LYS 167 Ca 0.12 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 3ran h LYS 167 Cb 0.00 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3ran h LYS 167 CO -0.06 0.39 0.06 -0.07 -1.08 0.00 0.00 179.45 178.70 3ran h LEU 168 N 0.03 0.37 0.00 2.94 3.38 -1.10 -3.19 115.31 117.74 3ran h LEU 168 Ca 0.05 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 3ran h LEU 168 Cb 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ran h LEU 168 CO 0.00 0.50 -0.79 0.40 0.09 0.00 0.00 178.44 178.64 3ran h ILE 169 N 0.22 1.10 -0.02 1.22 2.04 -1.27 -3.48 117.51 117.31 3ran h ILE 169 Ca 0.08 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3ran h ILE 169 Cb 0.27 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3ran h ILE 169 CO 0.00 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.39 3ran n GLY 170 N 1.29 1.11 2.78 5.37 0.00 0.11 -5.06 105.19 110.79 3ran n GLY 170 Ca -0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 3ran n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ran s ASP 171 N -2.54 2.91 0.51 1.61 -1.08 -0.97 -5.02 116.67 112.09 3ran s ASP 171 Ca 0.00 -0.79 0.32 0.00 -0.52 0.00 0.00 52.55 51.56 3ran s ASP 171 Cb 0.00 -0.70 1.25 0.00 -1.46 0.00 0.00 42.92 42.01 3ran s ASP 171 CO 0.00 -0.27 1.93 1.55 0.52 0.00 0.00 175.17 178.90 3ran h PRO 172 N 8.20 0.00 -0.65 4.34 0.13 -1.98 -2.20 132.00 139.84 3ran h PRO 172 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3ran h PRO 172 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ran h PRO 172 CO 0.35 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 3ran n ASN 173 N -3.01 3.89 -4.78 1.44 3.02 -1.26 -5.00 115.26 109.57 3ran n ASN 173 Ca 0.01 -2.21 -0.41 0.00 -0.03 0.00 0.00 54.58 51.95 3ran n ASN 173 Cb 0.32 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3ran n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ran s LEU 174 N -1.36 4.30 0.10 3.41 2.96 -0.83 -5.03 118.68 122.24 3ran s LEU 174 Ca 0.44 2.96 0.02 0.00 -0.22 0.00 0.00 54.13 57.34 3ran s LEU 174 Cb 0.26 -3.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3ran s LEU 174 CO 0.25 -0.86 -0.07 -1.61 -1.32 0.00 0.00 176.35 172.75 3ran s GLU 175 N -2.10 0.84 -0.10 1.98 0.41 -1.26 -4.98 118.70 113.48 3ran s GLU 175 Ca 0.53 -1.34 -0.22 0.00 -0.41 0.00 0.00 54.97 53.53 3ran s GLU 175 Cb -0.45 -0.22 -0.03 0.00 -1.78 0.00 0.00 34.13 31.65 3ran s GLU 175 CO 0.60 -0.01 0.67 -0.06 -0.49 0.00 0.00 175.26 175.97 3ran s PHE 176 N -3.60 3.53 -2.20 1.61 0.08 -1.26 -1.68 117.98 114.45 3ran s PHE 176 Ca 0.12 1.15 0.26 0.00 0.12 0.00 0.00 56.93 58.58 3ran s PHE 176 Cb 0.05 -2.79 0.66 0.00 -0.57 0.00 0.00 43.02 40.38 3ran s PHE 176 CO -0.05 0.04 1.51 1.33 -0.10 0.00 0.00 175.22 177.95 3ran n VAL 177 N 3.97 0.00 -3.60 -0.44 0.24 -0.32 -4.90 118.33 113.28 3ran n VAL 177 Ca -0.02 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 61.95 3ran n VAL 177 Cb 0.51 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 3ran n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ran s ALA 178 N -2.27 -1.96 0.08 2.33 0.00 -1.26 -5.09 121.76 113.59 3ran s ALA 178 Ca 0.28 1.69 -0.15 0.00 0.00 0.00 0.00 51.96 53.79 3ran s ALA 178 Cb 0.20 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 3ran s ALA 178 CO 0.44 -0.28 0.49 1.41 0.00 0.00 0.00 175.76 177.83 3ran s MET 179 N -0.61 3.97 0.71 0.00 1.75 -1.26 -4.49 119.30 119.37 3ran s MET 179 Ca 0.00 0.47 -0.16 0.00 -1.25 0.00 0.00 55.69 54.76 3ran s MET 179 Cb -0.02 -3.08 0.03 0.00 2.84 0.00 0.00 34.83 34.60 3ran s MET 179 CO -0.02 0.58 1.24 -2.14 -0.65 0.00 0.00 175.02 174.04 3ran s PRO 180 N -1.55 2.18 0.02 4.11 0.02 -1.26 -4.97 135.00 133.55 3ran s PRO 180 Ca 0.32 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3ran s PRO 180 Cb -0.16 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 3ran s PRO 180 CO 0.17 -1.84 1.50 0.00 -0.33 0.00 0.00 177.00 176.51 3ran s ALA 181 N -1.77 3.62 0.06 -1.55 0.00 -1.26 -5.01 121.76 115.85 3ran s ALA 181 Ca 0.78 0.99 0.09 0.00 0.00 0.00 0.00 51.96 53.81 3ran s ALA 181 Cb -0.33 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 3ran s ALA 181 CO 0.44 -1.01 -0.23 -0.51 0.00 0.00 0.00 175.76 174.45 3ran s LEU 182 N 2.58 2.35 0.25 0.00 1.43 -1.26 -2.85 118.68 121.18 3ran s LEU 182 Ca 0.68 -0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 3ran s LEU 182 Cb -0.34 -1.36 -0.13 0.00 0.03 0.00 0.00 46.19 44.38 3ran s LEU 182 CO 0.28 0.24 1.41 0.00 0.23 0.00 0.00 176.35 178.51 3ran n ALA 183 N 1.55 1.22 -1.72 4.21 0.00 -0.69 -4.91 120.51 120.18 3ran n ALA 183 Ca -0.17 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 3ran n ALA 183 Cb 0.52 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 3ran n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ran n PRO 184 N 1.89 2.25 -1.59 0.00 -0.02 -1.26 -4.89 135.00 131.38 3ran n PRO 184 Ca 0.11 0.79 -0.51 0.00 -2.02 0.00 0.00 63.50 61.87 3ran n PRO 184 Cb 0.32 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 3ran n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ran n PRO 185 N 0.46 1.17 -0.00 0.52 -0.02 -1.26 -4.91 135.00 130.96 3ran n PRO 185 Ca 0.04 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3ran n PRO 185 Cb 0.37 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 3ran n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ran n GLU 186 N 2.23 2.20 -4.40 -0.52 1.02 -0.29 -5.01 120.64 115.86 3ran n GLU 186 Ca 0.17 -0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 3ran n GLU 186 Cb 0.21 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 3ran n GLU 186 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ran s VAL 187 N -2.35 1.49 -0.21 2.62 -7.23 -1.20 -5.04 120.40 108.48 3ran s VAL 187 Ca 0.01 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 57.94 3ran s VAL 187 Cb 0.08 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3ran s VAL 187 CO 0.49 -0.31 0.33 -0.69 -0.31 0.00 0.00 175.10 174.61 3ran s VAL 188 N -3.11 5.25 -0.72 1.32 1.01 -1.26 -4.54 120.40 118.34 3ran s VAL 188 Ca 0.29 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 3ran s VAL 188 Cb 0.04 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.89 3ran s VAL 188 CO 0.11 0.28 0.83 -0.32 0.00 0.00 0.00 175.10 176.01 3ran s MET 189 N 1.22 3.29 0.13 2.72 0.00 -1.26 -4.90 119.30 120.51 3ran s MET 189 Ca 0.16 -1.63 -0.34 0.00 0.00 0.00 0.00 55.69 53.88 3ran s MET 189 Cb -0.14 -4.46 -0.16 0.00 0.00 0.00 0.00 34.83 30.07 3ran s MET 189 CO 0.07 -1.57 1.18 -3.47 0.00 0.00 0.00 175.02 171.23 3ran n ASP 190 N 6.00 1.21 0.13 1.11 -0.08 -1.26 -4.90 116.55 118.76 3ran n ASP 190 Ca 0.04 1.14 -0.01 0.00 -1.51 0.00 0.00 54.79 54.44 3ran n ASP 190 Cb 0.45 -1.17 0.16 0.00 2.34 0.00 0.00 41.12 42.90 3ran n ASP 190 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ran h PRO 191 N 3.59 0.00 0.02 -0.67 0.13 -2.00 -2.65 132.00 130.42 3ran h PRO 191 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 3ran h PRO 191 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 3ran h PRO 191 CO 0.71 0.63 -0.95 0.00 -0.23 0.00 0.00 178.00 178.17 3ran h ALA 192 N 1.37 0.45 -0.55 -0.56 0.00 -2.00 -3.00 119.26 114.97 3ran h ALA 192 Ca -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 3ran h ALA 192 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3ran h ALA 192 CO 0.08 1.05 0.17 1.25 0.00 0.00 0.00 179.25 181.81 3ran h LEU 193 N 0.04 0.80 -0.54 0.00 6.46 -1.94 -1.30 115.31 118.83 3ran h LEU 193 Ca -0.04 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 3ran h LEU 193 Cb 1.63 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.33 3ran h LEU 193 CO 0.13 0.79 0.21 0.00 -0.62 0.00 0.00 178.44 178.96 3ran h ALA 194 N 1.04 0.70 -0.64 1.25 0.00 -1.49 -1.39 119.26 118.72 3ran h ALA 194 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3ran h ALA 194 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ran h ALA 194 CO -0.01 0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.68 3ran h ALA 195 N 1.06 0.84 0.20 0.00 0.00 -1.48 -1.92 119.26 117.96 3ran h ALA 195 Ca 0.18 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ran h ALA 195 Cb 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ran h ALA 195 CO -0.01 0.58 -0.38 0.37 0.00 0.00 0.00 179.25 179.81 3ran h GLN 196 N 0.95 -0.64 -0.56 0.00 -0.00 -1.06 -2.39 115.11 111.41 3ran h GLN 196 Ca 0.20 0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.84 3ran h GLN 196 Cb 0.40 0.15 -0.03 0.00 0.00 0.00 0.00 27.48 28.00 3ran h GLN 196 CO 0.01 -0.43 0.16 1.88 0.00 0.00 0.00 178.83 180.46 3ran h TYR 197 N -0.66 0.87 -0.94 3.99 0.05 -1.19 -1.88 116.97 117.21 3ran h TYR 197 Ca 0.01 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3ran h TYR 197 Cb 0.66 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 3ran h TYR 197 CO -0.30 0.71 0.62 0.93 -1.05 0.00 0.00 178.16 179.07 3ran h GLU 198 N 0.82 1.21 -0.35 4.88 5.08 -1.36 -2.46 114.58 122.40 3ran h GLU 198 Ca 0.19 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3ran h GLU 198 Cb 0.26 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ran h GLU 198 CO -0.01 0.80 -0.37 1.25 -1.00 0.00 0.00 179.01 179.69 3ran h HIS 199 N 1.25 1.04 -0.88 4.33 2.76 -1.18 -2.77 115.15 119.70 3ran h HIS 199 Ca 0.35 -0.32 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 3ran h HIS 199 Cb -0.10 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.59 3ran h HIS 199 CO -0.01 1.13 0.57 -0.44 -1.30 0.00 0.00 177.93 177.88 3ran h ASP 200 N 0.66 0.94 -0.21 3.26 3.32 -0.95 -2.34 116.42 121.10 3ran h ASP 200 Ca 0.05 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3ran h ASP 200 Cb 0.96 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3ran h ASP 200 CO 0.09 0.64 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.03 3ran h LEU 201 N 1.09 0.48 -0.31 1.55 3.38 -1.52 -2.15 115.31 117.83 3ran h LEU 201 Ca 0.36 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ran h LEU 201 Cb 0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3ran h LEU 201 CO -0.13 0.82 -0.49 -0.08 0.09 0.00 0.00 178.44 178.66 3ran h GLU 202 N 0.15 -0.37 -0.11 1.13 4.81 -1.22 -1.61 114.58 117.36 3ran h GLU 202 Ca 0.04 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3ran h GLU 202 Cb 0.66 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3ran h GLU 202 CO 0.04 -0.25 0.19 0.28 -0.73 0.00 0.00 179.01 178.54 3ran h VAL 203 N -0.38 0.27 0.00 0.32 2.07 -1.50 -1.75 116.25 115.28 3ran h VAL 203 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 3ran h VAL 203 Cb 0.54 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3ran h VAL 203 CO -0.49 0.00 -0.87 0.00 0.02 0.00 0.00 177.57 176.22 3ran h ALA 204 N 1.73 0.65 -0.02 1.67 0.00 -0.62 -3.34 119.26 119.33 3ran h ALA 204 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ran h ALA 204 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ran h ALA 204 CO -0.00 0.36 -0.27 1.04 0.00 0.00 0.00 179.25 180.38 3ran n GLN 205 N -2.89 1.58 -3.59 0.00 6.02 -0.82 -4.68 117.38 112.98 3ran n GLN 205 Ca -0.02 -1.08 -0.40 0.00 -0.01 0.00 0.00 57.00 55.49 3ran n GLN 205 Cb 0.66 -1.34 -0.08 0.00 1.02 0.00 0.00 30.24 30.49 3ran n GLN 205 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ran s THR 206 N -1.93 4.16 -2.00 5.09 2.01 -0.71 -5.08 115.64 117.18 3ran s THR 206 Ca 0.17 -2.25 0.26 0.00 0.31 0.00 0.00 61.69 60.19 3ran s THR 206 Cb 0.15 -3.71 0.75 0.00 0.01 0.00 0.00 72.50 69.70 3ran s THR 206 CO 0.39 -0.83 1.92 0.41 -0.69 0.00 0.00 174.62 175.83