#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j91 s LYS 8 N 0.00 0.73 0.25 -1.46 1.02 -1.26 -4.31 119.74 114.71 1j91 s LYS 8 Ca 0.00 -0.57 -0.31 0.00 0.02 0.00 0.00 55.97 55.11 1j91 s LYS 8 Cb 0.00 -0.68 -0.13 0.00 -0.52 0.00 0.00 37.83 36.50 1j91 s LYS 8 CO 0.00 0.17 1.37 0.00 -0.92 0.00 0.00 175.35 175.97 1j91 n ALA 9 N 2.19 1.06 0.19 5.17 0.00 -1.26 -4.87 120.51 123.00 1j91 n ALA 9 Ca -0.17 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.72 1j91 n ALA 9 Cb 0.56 -2.26 0.39 0.00 0.00 0.00 0.00 19.45 18.13 1j91 n ALA 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j91 h ARG 10 N 3.89 0.00 -4.73 0.00 2.43 -1.96 -3.40 114.38 110.61 1j91 h ARG 10 Ca -0.45 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.43 1j91 h ARG 10 Cb 1.28 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.63 1j91 h ARG 10 CO 0.73 0.36 -0.73 0.14 -1.51 0.00 0.00 179.97 178.96 1j91 s VAL 11 N -3.87 0.69 -1.34 0.20 -7.23 -1.26 -4.86 120.40 102.74 1j91 s VAL 11 Ca -0.01 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1j91 s VAL 11 Cb 0.12 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1j91 s VAL 11 CO 0.69 -0.48 0.00 -1.22 -0.31 0.00 0.00 175.10 173.78 1j91 n TYR 12 N 1.04 -0.86 0.01 2.82 4.01 -1.26 -4.86 117.16 118.06 1j91 n TYR 12 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1j91 n TYR 12 Cb 0.56 -2.85 0.30 0.00 -0.31 0.00 0.00 39.34 37.05 1j91 n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j91 h ALA 13 N 0.84 1.38 -0.37 -0.72 0.00 -1.89 -3.17 119.26 115.33 1j91 h ALA 13 Ca -0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j91 h ALA 13 Cb 1.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1j91 h ALA 13 CO 0.41 0.43 0.00 -0.25 0.00 0.00 0.00 179.25 179.84 1j91 n ASP 14 N -4.28 3.88 -0.27 0.00 8.00 -1.26 -4.17 116.55 118.45 1j91 n ASP 14 Ca 0.01 -2.62 -0.03 0.00 0.71 0.00 0.00 54.79 52.86 1j91 n ASP 14 Cb 0.24 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1j91 n ASP 14 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1j91 h VAL 15 N 2.40 1.13 -0.00 2.53 2.07 -1.91 -2.80 116.25 119.67 1j91 h VAL 15 Ca 0.00 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1j91 h VAL 15 Cb 1.28 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1j91 h VAL 15 CO 0.18 0.17 -0.50 0.78 0.02 0.00 0.00 177.57 178.22 1j91 h ASN 16 N 0.94 0.01 -0.21 0.57 2.35 -1.83 -2.85 115.58 114.55 1j91 h ASN 16 Ca 0.29 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1j91 h ASN 16 Cb -0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1j91 h ASN 16 CO -0.10 0.51 0.11 0.58 -1.65 0.00 0.00 177.43 176.89 1j91 h VAL 17 N 0.01 1.11 0.00 2.81 2.07 -1.84 -2.73 116.25 117.68 1j91 h VAL 17 Ca -0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1j91 h VAL 17 Cb 0.90 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1j91 h VAL 17 CO 0.07 0.11 -0.16 0.25 0.02 0.00 0.00 177.57 177.85 1j91 h LEU 18 N 0.23 0.00-10.24 2.57 5.85 -1.41 -3.44 115.31 108.87 1j91 h LEU 18 Ca 0.07 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 58.30 1j91 h LEU 18 Cb 0.07 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.12 1j91 h LEU 18 CO -0.01 0.16 0.12 -0.13 -0.34 0.00 0.00 178.44 178.24 1j91 s ARG 19 N -4.51 3.64 0.89 1.25 0.52 -1.03 -5.05 118.95 114.65 1j91 s ARG 19 Ca -0.04 0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.39 1j91 s ARG 19 Cb 0.15 -2.37 0.12 0.00 0.52 0.00 0.00 34.95 33.37 1j91 s ARG 19 CO 0.66 -0.15 1.12 -2.30 0.02 0.00 0.00 175.30 174.65 1j91 n PRO 20 N -1.88 -0.26 -0.33 3.54 -0.02 -1.26 -4.91 135.00 129.89 1j91 n PRO 20 Ca 0.01 -0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1j91 n PRO 20 Cb 0.55 -2.36 0.20 0.00 -0.02 0.00 0.00 33.50 31.87 1j91 n PRO 20 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1j91 h LYS 21 N -1.57 1.10 -0.29 -0.52 3.64 -1.93 -2.48 116.57 114.51 1j91 h LYS 21 Ca -0.44 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1j91 h LYS 21 Cb 1.28 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1j91 h LYS 21 CO 0.42 0.72 0.20 1.05 -2.27 0.00 0.00 179.45 179.57 1j91 h GLU 22 N 1.13 0.19 -0.15 1.90 4.11 -1.91 0.10 114.58 119.96 1j91 h GLU 22 Ca 0.39 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.80 1j91 h GLU 22 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1j91 h GLU 22 CO -0.13 0.13 0.08 -0.92 0.07 0.00 0.00 179.01 178.23 1j91 h TYR 23 N 0.20 0.21 0.00 2.06 3.20 -1.80 -3.33 116.97 117.51 1j91 h TYR 23 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1j91 h TYR 23 Cb 0.26 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1j91 h TYR 23 CO -0.00 0.22 -1.11 -2.67 -1.64 0.00 0.00 178.16 172.97 1j91 n TRP 24 N -4.92 0.00 -2.82 -3.82 4.27 -1.11 -4.77 117.44 104.27 1j91 n TRP 24 Ca -0.05 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.13 1j91 n TRP 24 Cb 0.08 -0.09 0.00 0.00 -1.36 0.00 0.00 31.31 29.94 1j91 n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1j91 n ASP 25 N -1.60 5.14 0.27 -0.67 2.03 0.01 -4.82 116.55 116.91 1j91 n ASP 25 Ca 0.02 -2.97 0.15 0.00 0.52 0.00 0.00 54.79 52.51 1j91 n ASP 25 Cb 0.34 -1.60 0.68 0.00 -0.72 0.00 0.00 41.12 39.82 1j91 n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1j91 h TYR 26 N 7.11 0.00 -0.02 -0.67 -0.00 -1.86 -2.97 116.97 118.56 1j91 h TYR 26 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 59.01 1j91 h TYR 26 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.57 1j91 h TYR 26 CO 1.18 0.08 -0.35 0.93 -0.00 0.00 0.00 178.16 180.00 1j91 h GLU 27 N 0.00 0.03 -1.27 0.10 5.08 -1.91 -2.60 114.58 114.01 1j91 h GLU 27 Ca -0.00 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 1j91 h GLU 27 Cb 0.50 -0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.58 1j91 h GLU 27 CO 0.01 0.39 0.46 0.00 -1.00 0.00 0.00 179.01 178.86 1j91 n ALA 28 N -2.47 4.96 -2.65 3.43 0.00 -1.12 -4.90 120.51 117.75 1j91 n ALA 28 Ca -0.02 -1.88 -0.37 0.00 0.00 0.00 0.00 53.44 51.18 1j91 n ALA 28 Cb 0.40 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 1j91 n ALA 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1j91 s LEU 29 N -2.09 4.10 -0.76 0.00 2.96 -0.98 -5.03 118.68 116.88 1j91 s LEU 29 Ca 0.36 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1j91 s LEU 29 Cb 0.29 -2.11 0.19 0.00 0.50 0.00 0.00 46.19 45.06 1j91 s LEU 29 CO 0.02 0.05 0.62 0.42 -1.32 0.00 0.00 176.35 176.14 1j91 s THR 30 N 1.16 4.19 0.37 3.68 -4.23 -1.26 -5.05 115.64 114.50 1j91 s THR 30 Ca 0.07 -3.31 -0.25 0.00 -1.18 0.00 0.00 61.69 57.02 1j91 s THR 30 Cb -0.14 -3.65 -0.12 0.00 1.34 0.00 0.00 72.50 69.93 1j91 s THR 30 CO 0.05 -0.98 0.92 0.52 -0.54 0.00 0.00 174.62 174.59 1j91 n VAL 31 N 3.02 2.17 -3.33 2.29 0.31 -1.26 -4.95 118.33 116.58 1j91 n VAL 31 Ca 0.14 -0.50 -0.46 0.00 -0.01 0.00 0.00 64.34 63.51 1j91 n VAL 31 Cb 0.38 -0.98 -0.04 0.00 -0.91 0.00 0.00 33.84 32.29 1j91 n VAL 31 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1j91 s GLN 32 N -1.77 3.11 0.27 5.55 -0.21 -1.26 -5.05 119.66 120.30 1j91 s GLN 32 Ca 0.62 -1.89 -0.29 0.00 0.02 0.00 0.00 55.36 53.81 1j91 s GLN 32 Cb -0.62 -4.31 -0.10 0.00 1.00 0.00 0.00 33.01 28.98 1j91 s GLN 32 CO 0.58 -1.31 1.33 -1.58 -2.12 0.00 0.00 175.29 172.19 1j91 s TRP 33 N 1.24 3.11 0.00 0.91 0.52 -1.26 -4.79 118.94 118.68 1j91 s TRP 33 Ca 0.07 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.46 1j91 s TRP 33 Cb -0.25 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 1j91 s TRP 33 CO 0.00 -2.02 0.00 0.41 0.02 0.00 0.00 176.95 175.36 1j91 n GLY 34 N 1.57 1.55 3.21 0.98 0.00 0.84 -5.00 105.19 108.35 1j91 n GLY 34 Ca 0.03 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1j91 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j91 s GLU 35 N 2.64 3.15 0.45 1.61 0.41 -1.26 -4.65 118.70 121.05 1j91 s GLU 35 Ca 0.00 -0.75 0.14 0.00 -0.41 0.00 0.00 54.97 53.96 1j91 s GLU 35 Cb 0.00 -2.79 1.00 0.00 -1.78 0.00 0.00 34.13 30.56 1j91 s GLU 35 CO 0.00 -0.22 1.99 0.37 -0.49 0.00 0.00 175.26 176.92 1j91 h GLN 36 N 8.02 0.00 -0.14 1.61 4.15 -1.95 -2.53 115.11 124.29 1j91 h GLN 36 Ca -0.43 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.97 1j91 h GLN 36 Cb 1.15 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1j91 h GLN 36 CO 0.62 0.18 0.02 -0.44 -1.93 0.00 0.00 178.83 177.28 1j91 h ASP 37 N 0.00 0.17 0.06 -0.69 3.45 -1.94 -2.48 116.42 114.99 1j91 h ASP 37 Ca -0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1j91 h ASP 37 Cb 0.31 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1j91 h ASP 37 CO 0.02 0.19 0.00 0.47 -1.57 0.00 0.00 179.24 178.35 1j91 n ASP 38 N -4.44 0.00 -3.72 6.45 8.00 -0.95 -4.63 116.55 117.26 1j91 n ASP 38 Ca -0.01 -0.31 -0.20 0.00 0.71 0.00 0.00 54.79 54.98 1j91 n ASP 38 Cb 0.14 -0.07 -0.18 0.00 -0.02 0.00 0.00 41.12 40.99 1j91 n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1j91 s TYR 39 N -2.14 0.24 -0.13 1.24 2.02 -0.94 -1.63 117.35 116.01 1j91 s TYR 39 Ca 0.19 0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.95 1j91 s TYR 39 Cb 0.10 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 1j91 s TYR 39 CO 0.17 -0.21 0.09 -1.21 -1.57 0.00 0.00 175.55 172.82 1j91 s GLU 40 N 1.93 3.45 -0.21 -0.62 2.02 -0.72 -4.96 118.70 119.61 1j91 s GLU 40 Ca 0.03 -0.24 -0.20 0.00 0.02 0.00 0.00 54.97 54.57 1j91 s GLU 40 Cb -0.12 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1j91 s GLU 40 CO -0.03 0.65 0.62 0.08 0.02 0.00 0.00 175.26 176.59 1j91 s VAL 41 N -0.68 5.03 -0.19 2.63 1.01 -1.26 -1.52 120.40 125.42 1j91 s VAL 41 Ca 0.12 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 1j91 s VAL 41 Cb -0.12 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1j91 s VAL 41 CO 0.02 0.11 -0.31 0.52 0.00 0.00 0.00 175.10 175.44 1j91 n VAL 42 N 4.75 1.49 -3.76 2.92 0.31 0.41 -4.97 118.33 119.49 1j91 n VAL 42 Ca -0.02 0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 1j91 n VAL 42 Cb 0.50 -2.28 -0.10 0.00 -0.91 0.00 0.00 33.84 31.05 1j91 n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j91 s ARG 43 N -2.74 0.52 -0.08 5.55 1.70 -0.82 -4.97 118.95 118.10 1j91 s ARG 43 Ca -0.28 0.19 -0.30 0.00 -0.47 0.00 0.00 55.73 54.87 1j91 s ARG 43 Cb 0.05 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1j91 s ARG 43 CO 0.41 -0.11 1.12 0.21 -1.08 0.00 0.00 175.30 175.85 1j91 s LYS 44 N -0.47 4.38 0.00 3.89 2.20 -1.26 -0.07 119.74 128.40 1j91 s LYS 44 Ca -0.06 1.55 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1j91 s LYS 44 Cb -0.04 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1j91 s LYS 44 CO 0.02 -0.40 0.23 1.33 -0.36 0.00 0.00 175.35 176.16 1j91 n VAL 45 N 4.62 0.00 0.00 4.02 0.24 0.20 -4.93 118.33 122.49 1j91 n VAL 45 Ca 0.10 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1j91 n VAL 45 Cb 0.47 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1j91 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j91 n GLY 46 N 0.37 -2.01 0.00 7.63 0.00 4.19 -4.75 105.19 110.63 1j91 n GLY 46 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1j91 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j91 n ARG 47 N 0.00 0.00 -2.72 1.61 1.74 -1.21 -4.30 116.66 111.78 1j91 n ARG 47 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1j91 n ARG 47 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 1j91 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j91 n GLY 48 N 0.00 -0.50 0.00 -0.13 0.00 -0.45 -4.07 105.19 100.03 1j91 n GLY 48 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1j91 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j91 n LYS 49 N 1.38 0.00 -0.02 1.61 5.02 -1.26 -4.89 118.16 120.00 1j91 n LYS 49 Ca 0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1j91 n LYS 49 Cb 0.67 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.71 1j91 n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j91 n TYR 50 N -0.75 0.06 -3.75 2.13 4.02 -1.26 -4.92 117.16 112.69 1j91 n TYR 50 Ca 0.00 -0.17 -0.03 0.00 -0.01 0.00 0.00 57.90 57.69 1j91 n TYR 50 Cb 0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.30 1j91 n TYR 50 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1j91 s SER 51 N -0.56 -0.14 -0.10 7.72 1.04 -1.26 -2.91 113.70 117.49 1j91 s SER 51 Ca 0.06 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1j91 s SER 51 Cb 0.04 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1j91 s SER 51 CO 0.05 -0.82 -0.18 -1.61 0.98 0.00 0.00 173.24 171.66 1j91 s GLU 52 N -3.04 2.48 -0.12 4.02 2.02 -0.26 -1.34 118.70 122.45 1j91 s GLU 52 Ca 0.14 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1j91 s GLU 52 Cb -0.01 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 1j91 s GLU 52 CO 0.02 0.05 -0.11 0.08 0.02 0.00 0.00 175.26 175.32 1j91 s VAL 53 N 0.65 3.26 0.27 2.63 1.01 -1.26 -0.00 120.40 126.96 1j91 s VAL 53 Ca -0.13 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1j91 s VAL 53 Cb -0.16 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1j91 s VAL 53 CO 0.04 0.54 0.03 -0.36 0.00 0.00 0.00 175.10 175.34 1j91 s PHE 54 N 0.09 1.71 -0.21 5.22 0.08 0.15 0.79 117.98 125.81 1j91 s PHE 54 Ca -0.04 -0.96 -0.06 0.00 0.12 0.00 0.00 56.93 55.98 1j91 s PHE 54 Cb -0.14 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1j91 s PHE 54 CO 0.04 -0.05 0.04 -2.00 -0.10 0.00 0.00 175.22 173.15 1j91 s GLU 55 N -3.89 3.75 0.00 0.44 2.12 0.90 -1.21 118.70 120.81 1j91 s GLU 55 Ca 0.33 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1j91 s GLU 55 Cb 0.07 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.27 1j91 s GLU 55 CO 0.12 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 1j91 n GLY 56 N 4.16 4.35 3.07 -1.50 0.00 -0.28 -0.45 105.19 114.55 1j91 n GLY 56 Ca -0.17 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1j91 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j91 s ILE 57 N -1.58 0.39 -0.53 -0.61 -0.00 -0.57 -0.98 121.20 117.32 1j91 s ILE 57 Ca 0.00 -1.38 -0.20 0.00 -0.00 0.00 0.00 60.65 59.07 1j91 s ILE 57 Cb 0.00 -0.95 0.06 0.00 -0.00 0.00 0.00 42.46 41.58 1j91 s ILE 57 CO 0.00 -0.65 0.69 0.21 -0.00 0.00 0.00 174.94 175.18 1j91 s ASN 58 N -2.16 6.23 0.00 4.36 3.04 0.12 -1.76 114.94 124.78 1j91 s ASN 58 Ca -0.03 -0.94 0.00 0.00 0.04 0.00 0.00 52.86 51.93 1j91 s ASN 58 Cb -0.03 -2.31 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1j91 s ASN 58 CO -0.03 -0.99 0.24 1.33 -3.04 0.00 0.00 177.10 174.61 1j91 n VAL 59 N 5.68 0.07 0.00 -5.21 0.24 -0.65 0.25 118.33 118.72 1j91 n VAL 59 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1j91 n VAL 59 Cb 0.45 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 1j91 n VAL 59 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1j91 n ASN 60 N 0.38 1.04 0.00 -1.34 4.13 -1.26 -4.77 115.26 113.44 1j91 n ASN 60 Ca 0.00 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1j91 n ASN 60 Cb 0.12 0.91 0.00 0.00 -1.54 0.00 0.00 39.78 39.27 1j91 n ASN 60 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1j91 n ASN 61 N -1.01 0.00 -0.58 6.41 0.23 -0.82 -5.04 115.26 114.45 1j91 n ASN 61 Ca 0.00 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.58 52.97 1j91 n ASN 61 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1j91 n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1j91 n ASN 62 N 0.00 -5.15 -4.78 0.53 3.02 0.14 -4.99 115.26 104.02 1j91 n ASN 62 Ca 0.00 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 1j91 n ASN 62 Cb 0.28 -3.32 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 1j91 n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1j91 s GLU 63 N -2.40 4.57 0.72 3.52 0.41 -1.24 -4.71 118.70 119.58 1j91 s GLU 63 Ca 0.00 1.24 -0.12 0.00 -0.41 0.00 0.00 54.97 55.68 1j91 s GLU 63 Cb 0.00 -3.01 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 1j91 s GLU 63 CO 0.00 0.41 1.09 0.15 -0.49 0.00 0.00 175.26 176.42 1j91 s LYS 64 N -1.67 2.60 0.27 1.61 1.02 -1.26 0.14 119.74 122.45 1j91 s LYS 64 Ca 0.44 1.19 -0.21 0.00 0.02 0.00 0.00 55.97 57.40 1j91 s LYS 64 Cb -0.21 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1j91 s LYS 64 CO 0.25 -1.38 0.76 0.00 -0.92 0.00 0.00 175.35 174.07 1j91 s ILE 66 N -3.69 3.96 -0.21 0.00 -1.09 -0.60 -1.12 121.20 118.45 1j91 s ILE 66 Ca 0.12 -0.33 -0.03 0.00 -2.23 0.00 0.00 60.65 58.18 1j91 s ILE 66 Cb -0.05 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 1j91 s ILE 66 CO 0.07 0.48 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.57 1j91 s ILE 67 N 0.51 3.27 -0.30 2.92 1.01 -0.35 -0.65 121.20 127.61 1j91 s ILE 67 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1j91 s ILE 67 Cb -0.14 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1j91 s ILE 67 CO 0.02 0.44 0.05 -0.75 0.00 0.00 0.00 174.94 174.70 1j91 s LYS 68 N 1.41 2.85 -0.28 2.79 2.20 -0.12 0.31 119.74 128.90 1j91 s LYS 68 Ca 0.05 -1.01 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1j91 s LYS 68 Cb -0.14 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1j91 s LYS 68 CO -0.04 -0.51 0.19 0.42 -0.36 0.00 0.00 175.35 175.05 1j91 s ILE 69 N 1.42 5.31 -0.35 5.43 1.01 1.00 0.04 121.20 135.05 1j91 s ILE 69 Ca 0.00 0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 1j91 s ILE 69 Cb -0.18 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1j91 s ILE 69 CO 0.01 0.25 0.89 -0.76 0.00 0.00 0.00 174.94 175.34 1j91 s LEU 70 N 1.73 4.03 0.00 2.97 2.01 -1.08 -1.11 118.68 127.23 1j91 s LEU 70 Ca 0.07 0.61 0.00 0.00 0.01 0.00 0.00 54.13 54.82 1j91 s LEU 70 Cb -0.16 -3.22 0.00 0.00 0.01 0.00 0.00 46.19 42.82 1j91 s LEU 70 CO 0.11 -0.80 0.00 0.29 1.01 0.00 0.00 176.35 176.96 1j91 n LYS 71 N 6.63 2.71 -0.74 1.70 4.01 -1.15 -4.61 118.16 126.71 1j91 n LYS 71 Ca 0.06 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.81 1j91 n LYS 71 Cb 0.48 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.99 1j91 n LYS 71 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1j91 n PRO 72 N 0.00 0.00 -3.54 1.97 -0.02 -1.26 -4.54 135.00 127.61 1j91 n PRO 72 Ca 0.00 -0.15 -0.29 0.00 -2.02 0.00 0.00 63.50 61.04 1j91 n PRO 72 Cb 0.00 -1.24 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1j91 n PRO 72 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j91 s VAL 73 N 3.04 0.37 0.00 -1.45 1.01 -1.26 -4.97 120.40 117.14 1j91 s VAL 73 Ca 0.08 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1j91 s VAL 73 Cb 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1j91 s VAL 73 CO 0.04 -0.90 0.00 0.29 0.00 0.00 0.00 175.10 174.53 1j91 n LYS 74 N 4.24 2.27 0.08 2.72 4.76 -1.26 -4.71 118.16 126.26 1j91 n LYS 74 Ca 0.07 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1j91 n LYS 74 Cb 0.38 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.55 1j91 n LYS 74 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1j91 h LYS 75 N 0.00 -0.22 -0.52 1.97 1.57 -2.00 -3.34 116.57 114.03 1j91 h LYS 75 Ca 0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1j91 h LYS 75 Cb 0.00 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 1j91 h LYS 75 CO 0.00 -0.15 -0.30 1.17 -0.57 0.00 0.00 179.45 179.60 1j91 n LYS 76 N -3.10 -0.23 -0.17 3.15 4.81 -1.26 -1.80 118.16 119.56 1j91 n LYS 76 Ca -0.03 1.01 -0.03 0.00 -0.87 0.00 0.00 58.31 58.40 1j91 n LYS 76 Cb 0.09 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.68 1j91 n LYS 76 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1j91 h LYS 77 N 0.00 -0.02 -0.10 1.64 1.79 -1.93 -1.18 116.57 116.77 1j91 h LYS 77 Ca 0.08 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1j91 h LYS 77 Cb 0.21 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1j91 h LYS 77 CO -0.48 -0.01 -0.17 0.82 -1.08 0.00 0.00 179.45 178.53 1j91 h ILE 78 N -0.02 0.57 -0.57 1.86 2.04 -1.47 -0.14 117.51 119.78 1j91 h ILE 78 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.13 1j91 h ILE 78 Cb 0.41 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1j91 h ILE 78 CO -0.55 0.00 0.36 0.11 0.00 0.00 0.00 178.15 178.06 1j91 h LYS 79 N -0.22 0.69 -0.19 2.37 1.57 -1.31 -1.55 116.57 117.92 1j91 h LYS 79 Ca 0.09 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1j91 h LYS 79 Cb 0.35 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1j91 h LYS 79 CO -0.23 0.46 -0.18 -0.09 -0.57 0.00 0.00 179.45 178.83 1j91 h ARG 80 N 0.71 -0.19 -0.65 3.15 2.43 -0.54 0.78 114.38 120.08 1j91 h ARG 80 Ca 0.22 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1j91 h ARG 80 Cb -0.02 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1j91 h ARG 80 CO -0.08 -0.13 0.19 1.49 -1.51 0.00 0.00 179.97 179.93 1j91 h GLU 81 N -0.20 1.02 -0.45 0.20 4.81 -0.78 -2.24 114.58 116.94 1j91 h GLU 81 Ca 0.12 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1j91 h GLU 81 Cb 0.37 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1j91 h GLU 81 CO -0.31 0.90 0.21 0.82 -0.73 0.00 0.00 179.01 179.90 1j91 h ILE 82 N 0.95 1.19 -0.62 2.32 2.04 -0.77 -1.24 117.51 121.37 1j91 h ILE 82 Ca 0.21 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1j91 h ILE 82 Cb 0.32 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1j91 h ILE 82 CO -0.00 0.21 0.01 0.50 0.00 0.00 0.00 178.15 178.86 1j91 h LYS 83 N 0.58 1.08 -0.46 2.37 1.63 -0.76 -0.96 116.57 120.05 1j91 h LYS 83 Ca 0.15 -0.34 -0.12 0.00 -0.85 0.00 0.00 60.65 59.50 1j91 h LYS 83 Cb 0.13 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1j91 h LYS 83 CO -0.02 1.04 -0.18 0.82 -3.45 0.00 0.00 179.45 177.67 1j91 h ILE 84 N 0.99 1.27 -0.37 2.00 2.04 -1.31 -1.16 117.51 120.96 1j91 h ILE 84 Ca 0.18 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1j91 h ILE 84 Cb 0.55 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1j91 h ILE 84 CO 0.03 0.45 -0.00 -0.07 0.00 0.00 0.00 178.15 178.55 1j91 h LEU 85 N 0.79 0.64 -0.84 1.44 3.38 -1.00 -2.19 115.31 117.53 1j91 h LEU 85 Ca 0.11 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1j91 h LEU 85 Cb 0.71 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1j91 h LEU 85 CO 0.05 0.80 0.08 1.56 0.09 0.00 0.00 178.44 181.02 1j91 h GLN 86 N 0.47 0.95 0.00 1.13 4.20 -1.07 0.63 115.11 121.41 1j91 h GLN 86 Ca 0.10 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1j91 h GLN 86 Cb 0.47 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1j91 h GLN 86 CO 0.02 0.89 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.89 1j91 h ASN 87 N 0.89 0.00 0.00 1.46 2.35 -1.08 -3.15 115.58 116.05 1j91 h ASN 87 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1j91 h ASN 87 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1j91 h ASN 87 CO 0.01 0.27 -1.43 0.18 -1.65 0.00 0.00 177.43 174.81 1j91 n LEU 88 N -3.72 0.56 -4.65 1.61 4.77 -0.83 -4.98 117.00 109.76 1j91 n LEU 88 Ca -0.01 -0.28 -0.54 0.00 -0.03 0.00 0.00 56.01 55.15 1j91 n LEU 88 Cb 0.38 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1j91 n LEU 88 CO 0.35 0.14 1.12 0.00 -1.33 0.00 0.00 177.39 177.66 1j91 n GLY 90 N 3.33 0.21 3.80 0.00 0.00 -1.26 -5.06 105.19 106.22 1j91 n GLY 90 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1j91 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j91 s GLY 91 N -1.96 1.85 -0.15 -0.02 0.00 0.13 -4.93 107.32 102.25 1j91 s GLY 91 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.65 1j91 s GLY 91 CO 0.00 0.56 2.07 -1.05 0.00 0.00 0.00 173.10 174.68 1j91 n PRO 92 N -2.76 2.08 -2.38 2.90 -0.02 -1.26 -2.66 135.00 130.90 1j91 n PRO 92 Ca 0.08 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 1j91 n PRO 92 Cb 0.53 -2.89 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 1j91 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j91 n ASN 93 N 9.02 -5.93 -4.74 2.55 3.02 -1.26 -3.58 115.26 114.33 1j91 n ASN 93 Ca 0.27 -0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.47 1j91 n ASN 93 Cb 0.36 -4.95 -0.08 0.00 -0.61 0.00 0.00 39.78 34.50 1j91 n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j91 s ILE 94 N -3.04 5.34 0.31 2.41 -1.09 -1.09 -1.98 121.20 122.06 1j91 s ILE 94 Ca 0.00 0.16 -0.28 0.00 -2.23 0.00 0.00 60.65 58.30 1j91 s ILE 94 Cb 0.00 -3.42 -0.13 0.00 -1.58 0.00 0.00 42.46 37.33 1j91 s ILE 94 CO 0.00 0.47 1.14 0.55 -1.23 0.00 0.00 174.94 175.87 1j91 n VAL 95 N 3.32 1.98 -3.39 2.92 3.14 -1.11 -4.78 118.33 120.42 1j91 n VAL 95 Ca -0.17 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.32 1j91 n VAL 95 Cb 0.52 -1.26 -0.09 0.00 -1.06 0.00 0.00 33.84 31.95 1j91 n VAL 95 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1j91 s LYS 96 N -1.69 3.76 -0.45 1.45 2.20 -1.26 -4.83 119.74 118.92 1j91 s LYS 96 Ca 0.57 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.67 1j91 s LYS 96 Cb -0.64 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 31.96 1j91 s LYS 96 CO 0.61 -0.42 1.19 -1.17 -0.36 0.00 0.00 175.35 175.19 1j91 s LEU 97 N 2.06 3.65 -0.05 5.43 2.96 -1.26 -1.62 118.68 129.84 1j91 s LEU 97 Ca 0.13 0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 54.41 1j91 s LEU 97 Cb -0.16 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.67 1j91 s LEU 97 CO 0.11 -1.26 0.87 -0.07 -1.32 0.00 0.00 176.35 174.69 1j91 h LEU 98 N 11.32 0.45 -8.04 -0.68 3.38 -0.64 -3.49 115.31 117.61 1j91 h LEU 98 Ca -0.24 -0.95 -0.00 0.00 0.09 0.00 0.00 57.88 56.78 1j91 h LEU 98 Cb 1.07 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1j91 h LEU 98 CO 1.11 1.40 0.04 -0.62 0.09 0.00 0.00 178.44 180.46 1j91 s ASP 99 N -6.96 -0.19 -0.14 -0.43 -1.08 -1.08 -5.02 116.67 101.77 1j91 s ASP 99 Ca -0.14 -0.73 -0.03 0.00 -0.52 0.00 0.00 52.55 51.13 1j91 s ASP 99 Cb 0.01 0.64 0.05 0.00 -1.46 0.00 0.00 42.92 42.16 1j91 s ASP 99 CO 0.82 -1.20 0.05 -0.63 0.52 0.00 0.00 175.17 174.74 1j91 s ILE 100 N -3.95 0.20 0.44 4.11 1.01 -1.26 -0.78 121.20 120.97 1j91 s ILE 100 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1j91 s ILE 100 Cb -0.03 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1j91 s ILE 100 CO 0.06 -0.10 0.06 0.68 0.00 0.00 0.00 174.94 175.64 1j91 s VAL 101 N 2.02 1.03 0.13 2.92 -7.23 -0.69 -0.11 120.40 118.46 1j91 s VAL 101 Ca 0.02 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 1j91 s VAL 101 Cb -0.15 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.48 1j91 s VAL 101 CO -0.07 0.00 0.96 -2.11 -0.31 0.00 0.00 175.10 173.57 1j91 n ARG 102 N -1.04 0.50 -4.05 4.82 1.85 -1.26 -2.38 116.66 115.09 1j91 n ARG 102 Ca -0.11 -1.20 -0.35 0.00 -1.00 0.00 0.00 57.85 55.19 1j91 n ARG 102 Cb 0.66 1.67 -0.07 0.00 -1.05 0.00 0.00 32.46 33.68 1j91 n ARG 102 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1j91 s ASP 103 N -3.25 5.93 0.30 2.89 2.15 -1.26 -4.26 116.67 119.18 1j91 s ASP 103 Ca 0.22 0.29 0.04 0.00 0.43 0.00 0.00 52.55 53.53 1j91 s ASP 103 Cb -0.02 -1.80 0.68 0.00 -0.30 0.00 0.00 42.92 41.47 1j91 s ASP 103 CO 0.04 0.34 1.81 1.56 -0.17 0.00 0.00 175.17 178.75 1j91 h GLN 104 N 4.57 0.83 0.00 4.34 1.08 -1.99 -3.36 115.11 120.58 1j91 h GLN 104 Ca -0.51 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 56.59 1j91 h GLN 104 Cb 1.20 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1j91 h GLN 104 CO 0.60 0.55 -0.81 0.72 -0.95 0.00 0.00 178.83 178.94 1j91 n HIS 105 N -4.69 0.69 0.07 2.96 8.25 -1.26 -5.06 115.22 116.18 1j91 n HIS 105 Ca 0.21 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1j91 n HIS 105 Cb 0.48 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1j91 n HIS 105 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1j91 n SER 106 N -4.54 -0.58 -0.63 0.41 7.64 -1.26 -4.96 113.62 109.69 1j91 n SER 106 Ca -0.14 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1j91 n SER 106 Cb 0.40 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 1j91 n SER 106 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j91 n LYS 107 N -2.88 0.00 0.00 1.43 4.01 -1.26 -4.90 118.16 114.55 1j91 n LYS 107 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1j91 n LYS 107 Cb 0.00 -0.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 1j91 n LYS 107 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1j91 n THR 108 N 0.13 0.00 -0.48 -0.18 -2.24 -1.26 -4.87 114.28 105.38 1j91 n THR 108 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1j91 n THR 108 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1j91 n THR 108 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1j91 n PRO 109 N 0.00 0.00 -3.60 -0.78 -0.02 -1.26 -4.17 135.00 125.17 1j91 n PRO 109 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1j91 n PRO 109 Cb 0.00 -0.37 -0.04 0.00 -0.02 0.00 0.00 33.50 33.07 1j91 n PRO 109 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1j91 s SER 110 N -0.27 -1.08 -0.14 2.55 0.01 -1.00 -2.63 113.70 111.13 1j91 s SER 110 Ca 0.23 1.44 -0.07 0.00 1.31 0.00 0.00 55.95 58.87 1j91 s SER 110 Cb -0.34 2.21 -0.04 0.00 0.21 0.00 0.00 66.02 68.06 1j91 s SER 110 CO 0.19 -0.21 0.09 -0.76 0.41 0.00 0.00 173.24 172.97 1j91 s LEU 111 N 2.84 4.07 -0.18 2.44 1.43 0.11 -1.71 118.68 127.67 1j91 s LEU 111 Ca -0.05 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1j91 s LEU 111 Cb -0.11 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1j91 s LEU 111 CO -0.19 0.31 0.01 -0.63 0.23 0.00 0.00 176.35 176.08 1j91 s ILE 112 N -0.42 4.26 0.22 -0.59 -1.09 0.04 -0.94 121.20 122.69 1j91 s ILE 112 Ca 0.10 -0.22 0.10 0.00 -2.23 0.00 0.00 60.65 58.40 1j91 s ILE 112 Cb -0.12 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.81 1j91 s ILE 112 CO 0.02 0.46 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.65 1j91 s PHE 113 N 0.56 1.96 0.68 3.97 0.08 0.17 0.11 117.98 125.52 1j91 s PHE 113 Ca 0.00 -0.46 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 1j91 s PHE 113 Cb -0.14 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1j91 s PHE 113 CO 0.02 0.48 1.27 -0.85 -0.10 0.00 0.00 175.22 176.04 1j91 n GLU 114 N -0.29 0.90 -2.24 0.44 0.28 -0.64 -1.56 120.64 117.53 1j91 n GLU 114 Ca -0.08 0.37 -0.39 0.00 -0.16 0.00 0.00 57.16 56.89 1j91 n GLU 114 Cb 0.59 -2.51 -0.02 0.00 1.43 0.00 0.00 31.44 30.94 1j91 n GLU 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1j91 s TYR 115 N -1.55 3.11 -0.06 -1.84 5.04 -1.26 -4.14 117.35 116.66 1j91 s TYR 115 Ca 0.81 1.52 0.03 0.00 -2.44 0.00 0.00 57.07 56.99 1j91 s TYR 115 Cb -0.36 -3.49 0.01 0.00 0.35 0.00 0.00 41.96 38.46 1j91 s TYR 115 CO 0.43 -1.44 -0.14 0.08 -1.34 0.00 0.00 175.55 173.14 1j91 s VAL 116 N -1.27 1.21 -0.42 3.14 1.01 -1.26 -4.99 120.40 117.82 1j91 s VAL 116 Ca 0.53 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1j91 s VAL 116 Cb -0.34 -1.08 0.12 0.00 0.00 0.00 0.00 36.38 35.08 1j91 s VAL 116 CO 0.44 0.37 0.19 0.54 0.00 0.00 0.00 175.10 176.64 1j91 s ASN 117 N 0.44 4.03 1.08 3.32 4.22 -1.26 -5.06 114.94 121.71 1j91 s ASN 117 Ca -0.11 -2.45 -0.13 0.00 -2.14 0.00 0.00 52.86 48.03 1j91 s ASN 117 Cb -0.14 -1.22 0.23 0.00 1.28 0.00 0.00 41.25 41.40 1j91 s ASN 117 CO 0.03 -0.30 1.07 0.54 -2.04 0.00 0.00 177.10 176.40 1j91 s ASN 118 N 0.54 1.86 -0.33 3.54 4.22 -1.26 -4.30 114.94 119.20 1j91 s ASN 118 Ca 0.15 1.25 0.17 0.00 -2.14 0.00 0.00 52.86 52.28 1j91 s ASN 118 Cb -0.23 -1.95 0.45 0.00 1.28 0.00 0.00 41.25 40.80 1j91 s ASN 118 CO -0.06 -3.62 1.00 0.41 -2.04 0.00 0.00 177.10 172.79 1j91 n THR 119 N -4.50 0.82 -1.16 0.54 -1.04 -1.26 -5.00 114.28 102.68 1j91 n THR 119 Ca 0.04 -2.89 0.00 0.00 -2.04 0.00 0.00 64.05 59.17 1j91 n THR 119 Cb 0.56 0.69 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 1j91 n THR 119 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j91 n ASP 120 N -0.12 -2.85 -0.59 8.00 2.03 -1.26 -3.50 116.55 118.26 1j91 n ASP 120 Ca 0.08 0.36 0.47 0.00 0.52 0.00 0.00 54.79 56.23 1j91 n ASP 120 Cb 0.82 -0.58 0.78 0.00 -0.72 0.00 0.00 41.12 41.41 1j91 n ASP 120 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1j91 h PHE 121 N 3.17 0.12 0.00 -0.67 -0.00 -1.96 0.41 116.94 118.01 1j91 h PHE 121 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 57.97 1j91 h PHE 121 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 35.95 35.92 1j91 h PHE 121 CO 0.00 -0.05 -0.03 0.87 -0.00 0.00 0.00 178.31 179.10 1j91 h LYS 122 N 0.02 0.00 0.00 6.09 1.57 -2.00 -1.20 116.57 121.04 1j91 h LYS 122 Ca 0.86 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 59.39 1j91 h LYS 122 Cb 3.30 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 35.56 1j91 h LYS 122 CO -0.10 0.03 -1.78 0.28 -0.57 0.00 0.00 179.45 177.30 1j91 n VAL 123 N -4.08 1.30 -0.03 0.50 0.31 0.14 -4.53 118.33 111.95 1j91 n VAL 123 Ca -0.03 -0.75 -0.11 0.00 -0.01 0.00 0.00 64.34 63.44 1j91 n VAL 123 Cb 0.11 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 1j91 n VAL 123 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1j91 h LEU 124 N 0.00 -0.05 -1.25 7.52 5.85 -1.33 -3.37 115.31 122.69 1j91 h LEU 124 Ca -0.29 -0.63 0.30 0.00 0.84 0.00 0.00 57.88 58.11 1j91 h LEU 124 Cb 1.85 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.78 1j91 h LEU 124 CO 0.05 0.70 0.67 1.88 -0.34 0.00 0.00 178.44 181.40 1j91 h TYR 125 N -0.89 0.74 0.00 1.25 -1.99 -1.47 0.20 116.97 114.80 1j91 h TYR 125 Ca -0.01 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1j91 h TYR 125 Cb 0.67 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 1j91 h TYR 125 CO 0.17 -0.03 -0.21 -1.35 -0.00 0.00 0.00 178.16 176.74 1j91 h PRO 126 N 0.35 0.00 0.00 4.88 0.11 -1.80 -2.83 132.00 132.72 1j91 h PRO 126 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1j91 h PRO 126 Cb 1.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.80 1j91 h PRO 126 CO -0.40 0.21 -0.47 0.25 -0.21 0.00 0.00 178.00 177.38 1j91 n THR 127 N -3.59 0.35 -2.04 -1.15 -2.24 0.67 -4.91 114.28 101.38 1j91 n THR 127 Ca -0.01 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 1j91 n THR 127 Cb 0.35 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 1j91 n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j91 s LEU 128 N -4.11 4.39 0.69 3.22 1.43 -1.07 -5.03 118.68 118.21 1j91 s LEU 128 Ca 0.08 2.68 -0.03 0.00 -1.03 0.00 0.00 54.13 55.83 1j91 s LEU 128 Cb 0.14 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.82 1j91 s LEU 128 CO 0.69 -0.66 0.97 0.42 0.23 0.00 0.00 176.35 178.00 1j91 s THR 129 N -0.39 2.30 0.19 5.49 -4.23 -1.26 -4.90 115.64 112.84 1j91 s THR 129 Ca 0.56 -0.47 -0.11 0.00 -1.18 0.00 0.00 61.69 60.48 1j91 s THR 129 Cb -0.41 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 70.71 1j91 s THR 129 CO 0.47 0.00 1.76 -0.78 -0.54 0.00 0.00 174.62 175.53 1j91 h ASP 130 N -0.49 0.29 0.22 3.99 -0.00 -1.95 -2.23 116.42 116.25 1j91 h ASP 130 Ca -0.41 0.05 -0.12 0.00 -0.00 0.00 0.00 57.03 56.56 1j91 h ASP 130 Cb 1.28 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 40.62 1j91 h ASP 130 CO 0.48 0.19 -0.46 0.22 -0.00 0.00 0.00 179.24 179.67 1j91 h TYR 131 N 0.45 0.35 -0.63 0.28 3.20 -1.94 -2.92 116.97 115.76 1j91 h TYR 131 Ca 0.26 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1j91 h TYR 131 Cb 0.26 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1j91 h TYR 131 CO -0.14 0.71 0.17 -0.44 -1.64 0.00 0.00 178.16 176.82 1j91 h ASP 132 N 0.24 0.94 -0.18 -2.11 3.32 -1.78 0.12 116.42 116.96 1j91 h ASP 132 Ca 0.01 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1j91 h ASP 132 Cb 0.91 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1j91 h ASP 132 CO 0.07 0.91 0.07 0.40 -1.72 0.00 0.00 179.24 178.98 1j91 h ILE 133 N 0.91 1.16 -0.61 0.35 2.04 -1.42 0.65 117.51 120.60 1j91 h ILE 133 Ca 0.20 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1j91 h ILE 133 Cb 0.33 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1j91 h ILE 133 CO -0.00 0.15 0.33 0.03 0.00 0.00 0.00 178.15 178.66 1j91 h ARG 134 N 0.14 0.60 -0.13 2.37 3.08 -1.30 -0.90 114.38 118.24 1j91 h ARG 134 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1j91 h ARG 134 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1j91 h ARG 134 CO -0.00 0.40 0.06 -0.92 -1.07 0.00 0.00 179.97 178.43 1j91 h TYR 135 N 0.62 0.19 -0.18 3.04 3.20 -0.40 -2.02 116.97 121.41 1j91 h TYR 135 Ca 0.27 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.96 1j91 h TYR 135 Cb 0.16 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1j91 h TYR 135 CO -0.09 0.25 -0.58 1.88 -1.64 0.00 0.00 178.16 177.99 1j91 h TYR 136 N 0.06 0.73 -0.50 -3.82 0.05 -0.66 -1.47 116.97 111.37 1j91 h TYR 136 Ca 0.04 -0.27 -0.10 0.00 0.05 0.00 0.00 58.73 58.45 1j91 h TYR 136 Cb 0.14 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1j91 h TYR 136 CO -0.02 1.02 -0.10 0.82 -1.05 0.00 0.00 178.16 178.82 1j91 h ILE 137 N 0.44 1.26 -0.62 -2.88 1.08 -1.19 -0.43 117.51 115.17 1j91 h ILE 137 Ca 0.00 -1.22 -0.04 0.00 -0.39 0.00 0.00 64.86 63.21 1j91 h ILE 137 Cb 1.13 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 1j91 h ILE 137 CO 0.11 0.43 0.20 0.22 -0.69 0.00 0.00 178.15 178.42 1j91 h TYR 138 N 0.82 0.94 -0.25 1.37 3.20 -1.25 0.12 116.97 121.93 1j91 h TYR 138 Ca 0.13 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 1j91 h TYR 138 Cb 0.63 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1j91 h TYR 138 CO 0.04 0.75 -0.40 0.93 -1.64 0.00 0.00 178.16 177.84 1j91 h GLU 139 N 0.90 0.59 -0.23 1.82 4.39 -0.83 -2.45 114.58 118.77 1j91 h GLU 139 Ca 0.20 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1j91 h GLU 139 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1j91 h GLU 139 CO -0.01 0.89 -0.29 1.25 -1.16 0.00 0.00 179.01 179.69 1j91 h LEU 140 N 0.49 0.45 -1.69 1.33 5.85 -0.45 -2.70 115.31 118.58 1j91 h LEU 140 Ca 0.04 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1j91 h LEU 140 Cb 0.90 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1j91 h LEU 140 CO 0.08 0.73 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.80 1j91 h LEU 141 N 0.39 0.13 -0.64 2.25 3.38 -0.32 -1.36 115.31 119.15 1j91 h LEU 141 Ca 0.05 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1j91 h LEU 141 Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1j91 h LEU 141 CO 0.05 0.20 -0.30 0.11 0.09 0.00 0.00 178.44 178.59 1j91 h LYS 142 N 0.14 0.74 -0.35 1.13 1.57 -1.17 -1.32 116.57 117.31 1j91 h LYS 142 Ca 0.03 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1j91 h LYS 142 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1j91 h LYS 142 CO 0.01 0.95 -0.07 0.00 -0.57 0.00 0.00 179.45 179.76 1j91 h ALA 143 N 1.03 0.47 -0.25 3.86 0.00 -1.21 -2.15 119.26 121.02 1j91 h ALA 143 Ca 0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1j91 h ALA 143 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1j91 h ALA 143 CO 0.07 0.31 -0.43 -0.07 0.00 0.00 0.00 179.25 179.13 1j91 h LEU 144 N 0.45 0.81 -1.20 0.00 3.38 -1.36 -0.68 115.31 116.70 1j91 h LEU 144 Ca 0.09 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1j91 h LEU 144 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1j91 h LEU 144 CO 0.03 1.19 -0.03 -0.78 0.09 0.00 0.00 178.44 178.94 1j91 h ASP 145 N 0.46 0.48 0.00 -0.43 3.58 -1.26 0.17 116.42 119.43 1j91 h ASP 145 Ca 0.02 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1j91 h ASP 145 Cb 1.03 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1j91 h ASP 145 CO 0.10 0.57 -0.00 0.22 -2.88 0.00 0.00 179.24 177.25 1j91 h TYR 146 N 0.49 -0.00 -0.61 0.28 3.20 -1.22 0.99 116.97 120.10 1j91 h TYR 146 Ca 0.10 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1j91 h TYR 146 Cb 0.37 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1j91 h TYR 146 CO 0.01 0.50 0.09 0.00 -1.64 0.00 0.00 178.16 177.12 1j91 h HIS 148 N 0.94 0.74 0.00 0.00 3.86 -0.60 0.18 115.15 120.26 1j91 h HIS 148 Ca 0.19 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1j91 h HIS 148 Cb 0.42 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1j91 h HIS 148 CO 0.03 0.69 -0.03 0.66 0.86 0.00 0.00 177.93 180.13 1j91 h SER 149 N 0.57 0.00 -0.37 2.45 4.64 -0.42 0.26 113.55 120.68 1j91 h SER 149 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1j91 h SER 149 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1j91 h SER 149 CO 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1j91 n GLN 150 N -3.24 2.22 -2.90 4.77 1.13 -0.54 -4.91 117.38 113.91 1j91 n GLN 150 Ca -0.02 -1.49 -0.15 0.00 -1.94 0.00 0.00 57.00 53.41 1j91 n GLN 150 Cb 0.19 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.11 1j91 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j91 n GLY 151 N 0.92 -0.07 2.98 1.08 0.00 0.90 -4.93 105.19 106.07 1j91 n GLY 151 Ca 0.14 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1j91 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j91 s ILE 152 N -3.03 0.80 -0.16 -0.61 1.01 -0.02 -1.66 121.20 117.52 1j91 s ILE 152 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1j91 s ILE 152 Cb -0.11 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1j91 s ILE 152 CO 0.32 0.26 0.13 -0.04 0.00 0.00 0.00 174.94 175.61 1j91 s MET 153 N 0.41 3.80 -0.10 2.79 -1.94 0.08 -3.12 119.30 121.21 1j91 s MET 153 Ca -0.07 -0.18 -0.27 0.00 -1.71 0.00 0.00 55.69 53.46 1j91 s MET 153 Cb -0.11 -3.30 -0.25 0.00 2.01 0.00 0.00 34.83 33.19 1j91 s MET 153 CO 0.01 0.55 0.91 1.25 -0.01 0.00 0.00 175.02 177.73 1j91 h HIS 154 N 5.80 0.06 0.00 -0.03 2.76 -1.91 -1.69 115.15 120.14 1j91 h HIS 154 Ca -0.48 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 1j91 h HIS 154 Cb 1.19 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1j91 h HIS 154 CO 0.67 0.90 0.00 0.54 -1.30 0.00 0.00 177.93 178.74 1j91 n ARG 155 N -4.63 -0.70 -2.75 5.26 1.74 -1.26 -2.52 116.66 111.80 1j91 n ARG 155 Ca -0.10 0.17 -0.03 0.00 -0.77 0.00 0.00 57.85 57.13 1j91 n ARG 155 Cb 0.45 -3.88 0.08 0.00 -1.02 0.00 0.00 32.46 28.08 1j91 n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j91 n ASP 156 N -0.35 0.34 -4.66 0.55 2.03 -1.26 -1.12 116.55 112.08 1j91 n ASP 156 Ca 0.00 -2.25 -0.43 0.00 0.52 0.00 0.00 54.79 52.64 1j91 n ASP 156 Cb 0.17 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.54 1j91 n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1j91 s VAL 157 N -2.18 3.96 0.15 5.18 1.01 -1.26 -4.77 120.40 122.48 1j91 s VAL 157 Ca 0.22 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 1j91 s VAL 157 Cb 0.39 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 33.08 1j91 s VAL 157 CO -0.06 -0.09 0.74 -1.59 0.00 0.00 0.00 175.10 174.10 1j91 s LYS 158 N 3.59 1.27 0.24 2.72 -2.85 -1.26 -4.77 119.74 118.68 1j91 s LYS 158 Ca 0.63 -0.57 -0.06 0.00 -1.00 0.00 0.00 55.97 54.97 1j91 s LYS 158 Cb -0.27 0.52 0.43 0.00 -2.06 0.00 0.00 37.83 36.45 1j91 s LYS 158 CO 0.22 -0.57 1.68 -1.35 0.10 0.00 0.00 175.35 175.43 1j91 h PRO 159 N 2.00 0.24 -0.14 1.78 0.11 -1.93 -0.65 132.00 133.41 1j91 h PRO 159 Ca -0.27 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.87 1j91 h PRO 159 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1j91 h PRO 159 CO 0.31 0.16 0.10 1.25 -0.21 0.00 0.00 178.00 179.61 1j91 h HIS 160 N 0.25 0.00 -0.01 0.65 2.76 -1.97 -1.44 115.15 115.39 1j91 h HIS 160 Ca 0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1j91 h HIS 160 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1j91 h HIS 160 CO -0.28 0.00 -0.11 0.09 -1.30 0.00 0.00 177.93 176.33 1j91 n ASN 161 N -4.47 1.33 -4.12 3.26 3.02 -0.28 -4.39 115.26 109.61 1j91 n ASN 161 Ca 0.00 -1.25 -0.37 0.00 -0.03 0.00 0.00 54.58 52.94 1j91 n ASN 161 Cb 0.22 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 1j91 n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j91 s VAL 162 N -2.21 4.28 -0.03 2.41 1.01 -0.54 -0.59 120.40 124.73 1j91 s VAL 162 Ca 0.32 -3.59 -0.30 0.00 0.00 0.00 0.00 61.98 58.41 1j91 s VAL 162 Cb 0.20 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1j91 s VAL 162 CO 0.41 -1.04 1.40 -0.04 0.00 0.00 0.00 175.10 175.83 1j91 s MET 163 N -0.98 4.27 -0.16 2.72 -1.94 -0.13 -4.87 119.30 118.21 1j91 s MET 163 Ca 0.25 1.93 0.01 0.00 -1.71 0.00 0.00 55.69 56.17 1j91 s MET 163 Cb -0.11 -3.63 0.02 0.00 2.01 0.00 0.00 34.83 33.13 1j91 s MET 163 CO -0.10 -0.60 -0.17 0.42 -0.01 0.00 0.00 175.02 174.56 1j91 s ILE 164 N 2.64 1.80 -0.98 2.53 1.01 -1.26 -0.79 121.20 126.15 1j91 s ILE 164 Ca 0.63 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1j91 s ILE 164 Cb -0.30 -1.66 0.23 0.00 0.01 0.00 0.00 42.46 40.74 1j91 s ILE 164 CO 0.25 0.49 1.00 -0.62 0.00 0.00 0.00 174.94 176.07 1j91 s ASP 165 N 1.39 6.99 0.35 3.58 -1.08 0.32 -4.22 116.67 124.01 1j91 s ASP 165 Ca 0.05 -3.00 0.08 0.00 -0.52 0.00 0.00 52.55 49.16 1j91 s ASP 165 Cb -0.13 -2.25 0.78 0.00 -1.46 0.00 0.00 42.92 39.87 1j91 s ASP 165 CO -0.12 -0.53 1.89 -0.74 0.52 0.00 0.00 175.17 176.19 1j91 h HIS 166 N 7.41 0.82 -0.77 -5.34 -0.00 -1.85 0.42 115.15 115.83 1j91 h HIS 166 Ca 0.16 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.63 1j91 h HIS 166 Cb 0.96 -0.26 -0.07 0.00 -0.00 0.00 0.00 27.41 28.04 1j91 h HIS 166 CO 0.95 0.34 0.44 1.49 -0.00 0.00 0.00 177.93 181.15 1j91 h GLU 167 N 0.73 0.75 -0.50 5.26 4.81 -1.93 -1.80 114.58 121.89 1j91 h GLU 167 Ca 0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1j91 h GLU 167 Cb 0.59 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1j91 h GLU 167 CO -0.18 0.49 0.00 1.28 -0.73 0.00 0.00 179.01 179.87 1j91 n LEU 168 N -4.75 3.43 -4.10 1.64 4.77 -0.50 -4.96 117.00 112.54 1j91 n LEU 168 Ca 0.12 -1.81 -0.31 0.00 -0.03 0.00 0.00 56.01 53.98 1j91 n LEU 168 Cb 0.23 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1j91 n LEU 168 CO 0.28 0.82 -0.15 0.54 -1.33 0.00 0.00 177.39 177.55 1j91 n ARG 169 N 1.24 -3.15 -4.63 3.23 1.74 0.13 -4.95 116.66 110.28 1j91 n ARG 169 Ca 0.19 0.37 -0.34 0.00 -0.77 0.00 0.00 57.85 57.30 1j91 n ARG 169 Cb 0.54 -4.74 -0.12 0.00 -1.02 0.00 0.00 32.46 27.12 1j91 n ARG 169 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1j91 s LYS 170 N -6.78 2.97 -0.06 5.56 2.20 -0.73 -4.97 119.74 117.93 1j91 s LYS 170 Ca 0.35 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.42 1j91 s LYS 170 Cb -0.19 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1j91 s LYS 170 CO 0.91 0.53 -0.17 -1.17 -0.36 0.00 0.00 175.35 175.10 1j91 s LEU 171 N -0.46 1.88 -0.05 5.43 0.20 -1.26 -0.52 118.68 123.90 1j91 s LEU 171 Ca 0.07 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.52 1j91 s LEU 171 Cb -0.12 -1.00 0.02 0.00 -0.43 0.00 0.00 46.19 44.66 1j91 s LEU 171 CO 0.02 0.13 -0.03 -0.13 -0.29 0.00 0.00 176.35 176.05 1j91 s ARG 172 N 0.21 0.69 -0.40 1.98 1.81 0.03 -4.61 118.95 118.66 1j91 s ARG 172 Ca -0.08 -0.03 -0.22 0.00 -1.72 0.00 0.00 55.73 53.67 1j91 s ARG 172 Cb -0.13 -0.80 0.01 0.00 -0.45 0.00 0.00 34.95 33.58 1j91 s ARG 172 CO 0.03 -0.13 0.73 -1.17 -0.68 0.00 0.00 175.30 174.08 1j91 s LEU 173 N 1.13 4.24 0.00 2.53 2.96 -0.84 -0.95 118.68 127.75 1j91 s LEU 173 Ca -0.08 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1j91 s LEU 173 Cb -0.14 -2.91 0.06 0.00 0.50 0.00 0.00 46.19 43.69 1j91 s LEU 173 CO -0.01 -0.76 0.46 2.30 -1.32 0.00 0.00 176.35 177.01 1j91 n ILE 174 N 5.86 0.00 -3.02 6.68 -5.35 0.24 -2.75 119.36 121.02 1j91 n ILE 174 Ca 0.01 -2.21 -0.12 0.00 -0.27 0.00 0.00 62.75 60.16 1j91 n ILE 174 Cb 0.48 -0.06 0.01 0.00 -1.74 0.00 0.00 39.64 38.34 1j91 n ILE 174 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1j91 n ASP 175 N -1.87 -7.20 -1.82 7.28 -0.08 -1.26 -4.85 116.55 106.75 1j91 n ASP 175 Ca -0.00 0.58 -0.05 0.00 -1.51 0.00 0.00 54.79 53.81 1j91 n ASP 175 Cb 0.64 -3.91 0.26 0.00 2.34 0.00 0.00 41.12 40.45 1j91 n ASP 175 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1j91 n TRP 176 N 0.24 2.10 0.29 -0.67 7.02 -1.26 -4.44 117.44 120.71 1j91 n TRP 176 Ca 0.02 -1.04 0.16 0.00 -1.02 0.00 0.00 57.50 55.63 1j91 n TRP 176 Cb 0.40 -0.61 0.90 0.00 -2.42 0.00 0.00 31.31 29.58 1j91 n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1j91 h GLY 177 N 3.05 0.00 -1.41 6.99 0.00 -1.91 -2.50 103.07 107.29 1j91 h GLY 177 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1j91 h GLY 177 CO 0.63 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.21 1j91 n LEU 178 N -3.50 2.46 -4.74 3.11 4.77 -1.26 -4.87 117.00 112.96 1j91 n LEU 178 Ca -0.02 -1.01 -0.33 0.00 -0.03 0.00 0.00 56.01 54.62 1j91 n LEU 178 Cb 0.16 -0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1j91 n LEU 178 CO 0.27 0.44 0.74 0.00 -1.33 0.00 0.00 177.39 177.50 1j91 s ALA 179 N -1.45 2.18 0.08 -1.18 0.00 -0.94 -4.65 121.76 115.80 1j91 s ALA 179 Ca 0.20 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 1j91 s ALA 179 Cb 0.15 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1j91 s ALA 179 CO 0.22 -1.77 0.30 -1.21 0.00 0.00 0.00 175.76 173.30 1j91 s GLU 180 N -4.29 0.91 0.13 0.00 0.41 -0.63 -4.89 118.70 110.32 1j91 s GLU 180 Ca 0.68 -0.72 -0.25 0.00 -0.41 0.00 0.00 54.97 54.27 1j91 s GLU 180 Cb -0.23 0.39 -0.07 0.00 -1.78 0.00 0.00 34.13 32.44 1j91 s GLU 180 CO 0.48 -0.31 0.78 -0.06 -0.49 0.00 0.00 175.26 175.66 1j91 s PHE 181 N -3.39 3.85 0.02 1.61 0.40 -1.26 -0.74 117.98 118.46 1j91 s PHE 181 Ca 0.01 1.59 -0.24 0.00 -0.60 0.00 0.00 56.93 57.69 1j91 s PHE 181 Cb 0.02 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 1j91 s PHE 181 CO -0.09 0.43 0.72 -0.47 0.70 0.00 0.00 175.22 176.51 1j91 s TYR 182 N -0.75 3.70 -0.06 0.36 5.04 -0.66 -4.90 117.35 120.08 1j91 s TYR 182 Ca 0.37 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 1j91 s TYR 182 Cb -0.22 -2.77 0.02 0.00 0.35 0.00 0.00 41.96 39.34 1j91 s TYR 182 CO 0.25 0.26 -0.03 -1.01 -1.34 0.00 0.00 175.55 173.69 1j91 s HIS 183 N 0.04 0.76 0.06 4.97 3.76 -1.26 -4.61 115.29 119.02 1j91 s HIS 183 Ca 0.37 -0.22 -0.36 0.00 -0.15 0.00 0.00 55.06 54.69 1j91 s HIS 183 Cb -0.20 -0.74 -0.16 0.00 1.11 0.00 0.00 32.58 32.60 1j91 s HIS 183 CO 0.21 -0.25 1.45 -2.30 -0.85 0.00 0.00 174.74 173.00 1j91 n PRO 184 N 4.43 1.42 -0.76 8.40 -0.02 -1.26 -1.47 135.00 145.74 1j91 n PRO 184 Ca -0.19 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1j91 n PRO 184 Cb 0.51 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1j91 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j91 n GLY 185 N 2.95 0.69 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.11 1j91 n GLY 185 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1j91 n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j91 s LYS 186 N -0.36 4.30 -0.37 1.61 2.20 -0.54 -4.92 119.74 121.66 1j91 s LYS 186 Ca 0.00 1.87 -0.18 0.00 -0.36 0.00 0.00 55.97 57.31 1j91 s LYS 186 Cb 0.00 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1j91 s LYS 186 CO 0.00 -0.11 0.49 -1.21 -0.36 0.00 0.00 175.35 174.16 1j91 s GLU 187 N -1.95 3.47 0.37 4.03 2.02 -1.26 -4.17 118.70 121.21 1j91 s GLU 187 Ca 0.52 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.22 1j91 s GLU 187 Cb -0.32 -3.85 -0.01 0.00 0.10 0.00 0.00 34.13 30.05 1j91 s GLU 187 CO 0.41 -0.71 0.53 0.71 0.02 0.00 0.00 175.26 176.22 1j91 s TYR 188 N 2.34 3.12 0.18 1.61 2.02 -0.59 -4.98 117.35 121.05 1j91 s TYR 188 Ca 0.17 -0.12 -0.30 0.00 -0.37 0.00 0.00 57.07 56.45 1j91 s TYR 188 Cb -0.16 -2.10 -0.08 0.00 -0.40 0.00 0.00 41.96 39.22 1j91 s TYR 188 CO 0.14 -0.13 1.19 1.21 -1.57 0.00 0.00 175.55 176.39 1j91 s ASN 189 N -4.20 7.09 0.00 2.29 3.84 -1.26 -4.77 114.94 117.94 1j91 s ASN 189 Ca 0.46 2.22 0.26 0.00 0.21 0.00 0.00 52.86 56.02 1j91 s ASN 189 Cb -0.10 -2.61 0.66 0.00 -0.55 0.00 0.00 41.25 38.66 1j91 s ASN 189 CO 0.33 -0.37 1.51 1.33 -2.79 0.00 0.00 177.10 177.11 1j91 n VAL 190 N 2.54 0.00 -1.87 -5.21 0.24 -1.26 -4.53 118.33 108.24 1j91 n VAL 190 Ca 0.04 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.82 1j91 n VAL 190 Cb 0.45 0.41 -0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1j91 n VAL 190 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1j91 n ARG 191 N -0.81 3.12 -4.30 7.34 3.00 -1.26 -4.85 116.66 118.89 1j91 n ARG 191 Ca 0.11 -2.83 -0.16 0.00 -0.01 0.00 0.00 57.85 54.96 1j91 n ARG 191 Cb 0.35 -3.16 -0.10 0.00 0.00 0.00 0.00 32.46 29.54 1j91 n ARG 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j91 s VAL 192 N 2.36 0.55 0.12 1.55 -7.23 -1.26 -5.10 120.40 111.38 1j91 s VAL 192 Ca 0.46 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1j91 s VAL 192 Cb 0.13 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1j91 s VAL 192 CO -0.06 -0.07 0.00 0.00 -0.31 0.00 0.00 175.10 174.65 1j91 n ALA 193 N -0.42 -1.38 -2.64 1.32 0.00 -0.27 -4.85 120.51 112.27 1j91 n ALA 193 Ca -0.01 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1j91 n ALA 193 Cb 0.66 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 1j91 n ALA 193 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j91 s SER 194 N -4.60 4.83 0.14 0.00 1.04 -1.26 -4.99 113.70 108.86 1j91 s SER 194 Ca 0.00 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.16 1j91 s SER 194 Cb 0.00 -1.15 0.12 0.00 0.10 0.00 0.00 66.02 65.08 1j91 s SER 194 CO 0.00 0.25 1.03 -1.14 0.98 0.00 0.00 173.24 174.36 1j91 n ARG 195 N 1.23 -0.19 0.10 4.02 0.63 -1.26 -0.41 116.66 120.79 1j91 n ARG 195 Ca -0.14 1.02 0.10 0.00 -0.92 0.00 0.00 57.85 57.91 1j91 n ARG 195 Cb 0.52 -1.51 0.44 0.00 0.45 0.00 0.00 32.46 32.36 1j91 n ARG 195 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1j91 n TYR 196 N -4.95 0.58 -0.46 -0.14 4.01 -1.26 -2.49 117.16 112.45 1j91 n TYR 196 Ca 0.06 0.25 0.05 0.00 -0.16 0.00 0.00 57.90 58.10 1j91 n TYR 196 Cb 0.25 -0.91 0.10 0.00 -0.31 0.00 0.00 39.34 38.47 1j91 n TYR 196 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j91 n PHE 197 N -2.05 0.22 -2.53 -0.72 3.72 0.45 -4.62 117.46 111.93 1j91 n PHE 197 Ca 0.01 -0.69 -0.42 0.00 -0.05 0.00 0.00 57.45 56.31 1j91 n PHE 197 Cb 0.15 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1j91 n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1j91 s LYS 198 N -1.76 4.52 0.65 -1.08 1.02 -1.04 -4.23 119.74 117.83 1j91 s LYS 198 Ca 0.19 1.65 -0.12 0.00 0.02 0.00 0.00 55.97 57.71 1j91 s LYS 198 Cb 0.15 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1j91 s LYS 198 CO 0.05 -0.10 1.05 0.20 -0.92 0.00 0.00 175.35 175.63 1j91 s GLY 199 N 0.70 1.75 0.36 -3.33 0.00 -1.26 -4.90 107.32 100.64 1j91 s GLY 199 Ca 0.54 0.09 0.12 0.00 0.00 0.00 0.00 44.72 45.47 1j91 s GLY 199 CO 0.30 0.39 1.81 -2.55 0.00 0.00 0.00 173.10 173.06 1j91 h PRO 200 N -0.37 0.57 -0.86 2.90 0.11 -1.93 -1.18 132.00 131.24 1j91 h PRO 200 Ca -0.44 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1j91 h PRO 200 Cb 1.21 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 1j91 h PRO 200 CO 0.58 0.38 0.48 1.05 -0.21 0.00 0.00 178.00 180.28 1j91 h GLU 201 N 0.59 0.70 0.00 1.05 9.09 -1.89 -0.31 114.58 123.81 1j91 h GLU 201 Ca 0.53 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.77 1j91 h GLU 201 Cb 1.06 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 27.98 1j91 h GLU 201 CO -0.28 0.47 -0.61 -0.07 0.05 0.00 0.00 179.01 178.57 1j91 h LEU 202 N 0.73 0.00 -0.05 3.06 3.38 -1.45 0.55 115.31 121.52 1j91 h LEU 202 Ca 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 1j91 h LEU 202 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1j91 h LEU 202 CO -0.31 0.61 -0.10 -0.07 0.09 0.00 0.00 178.44 178.66 1j91 h LEU 203 N 0.00 0.00 -3.00 1.67 3.38 -0.88 -3.25 115.31 113.23 1j91 h LEU 203 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j91 h LEU 203 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1j91 h LEU 203 CO 0.08 0.10 0.00 1.33 0.09 0.00 0.00 178.44 180.04 1j91 n VAL 204 N -3.13 1.35 -3.35 1.22 0.24 -0.40 -4.97 118.33 109.29 1j91 n VAL 204 Ca 0.03 -1.30 -0.19 0.00 -2.04 0.00 0.00 64.34 60.85 1j91 n VAL 204 Cb 0.56 0.28 0.06 0.00 -1.47 0.00 0.00 33.84 33.27 1j91 n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1j91 n ASP 205 N -0.10 -5.19 -4.41 -1.34 10.43 -0.93 -4.95 116.55 110.05 1j91 n ASP 205 Ca 0.11 -0.43 -0.44 0.00 2.57 0.00 0.00 54.79 56.60 1j91 n ASP 205 Cb 0.50 -4.11 -0.04 0.00 1.84 0.00 0.00 41.12 39.31 1j91 n ASP 205 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1j91 s LEU 206 N -5.97 5.05 0.31 0.64 0.20 0.19 -4.90 118.68 114.20 1j91 s LEU 206 Ca 0.43 -1.40 0.16 0.00 0.69 0.00 0.00 54.13 54.01 1j91 s LEU 206 Cb -0.19 -2.35 0.33 0.00 -0.43 0.00 0.00 46.19 43.55 1j91 s LEU 206 CO 0.58 -1.20 1.56 1.56 -0.29 0.00 0.00 176.35 178.56 1j91 h GLN 207 N 9.23 0.00 -2.66 1.98 4.20 -1.86 -3.37 115.11 122.63 1j91 h GLN 207 Ca -0.22 0.00 -0.75 0.00 0.06 0.00 0.00 58.65 57.74 1j91 h GLN 207 Cb 1.07 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.72 1j91 h GLN 207 CO 1.12 0.48 2.32 -0.40 -0.67 0.00 0.00 178.83 181.68 1j91 n ASP 208 N -3.37 7.83 -3.91 1.46 5.75 -1.26 -1.54 116.55 121.51 1j91 n ASP 208 Ca 0.01 -3.17 -0.22 0.00 -0.01 0.00 0.00 54.79 51.40 1j91 n ASP 208 Cb 0.65 -1.36 0.13 0.00 -1.03 0.00 0.00 41.12 39.51 1j91 n ASP 208 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j91 n TYR 209 N 1.77 -3.44 -2.24 2.11 0.18 -1.26 -4.69 117.16 109.58 1j91 n TYR 209 Ca 0.60 -1.27 0.00 0.00 1.88 0.00 0.00 57.90 59.11 1j91 n TYR 209 Cb 0.25 -0.73 0.00 0.00 -0.38 0.00 0.00 39.34 38.49 1j91 n TYR 209 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1j91 n ASP 210 N -3.27 0.00 -0.03 9.48 5.68 -1.26 -4.93 116.55 122.21 1j91 n ASP 210 Ca 0.14 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.59 1j91 n ASP 210 Cb 0.49 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.07 1j91 n ASP 210 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1j91 h TYR 211 N 0.00 0.21 0.00 2.11 0.05 -1.94 -1.49 116.97 115.91 1j91 h TYR 211 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1j91 h TYR 211 Cb 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1j91 h TYR 211 CO 0.00 0.09 0.17 0.66 -1.05 0.00 0.00 178.16 178.03 1j91 h SER 212 N 0.19 0.00 -0.64 3.88 4.64 -1.95 -0.38 113.55 119.29 1j91 h SER 212 Ca 0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1j91 h SER 212 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 1j91 h SER 212 CO -0.04 0.00 0.32 0.25 -0.87 0.00 0.00 176.83 176.48 1j91 h LEU 213 N 0.00 0.83 -1.79 5.97 5.85 -1.64 -2.32 115.31 122.21 1j91 h LEU 213 Ca 0.00 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1j91 h LEU 213 Cb 0.34 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1j91 h LEU 213 CO 0.00 0.72 -0.14 0.44 -0.34 0.00 0.00 178.44 179.12 1j91 h ASP 214 N 0.88 0.00 0.83 1.25 3.32 -1.27 -1.94 116.42 119.50 1j91 h ASP 214 Ca 0.22 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1j91 h ASP 214 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1j91 h ASP 214 CO -0.03 0.14 -0.45 0.24 -1.72 0.00 0.00 179.24 177.43 1j91 h MET 215 N 0.00 0.00 -0.06 3.56 2.86 -1.51 -0.68 114.93 119.10 1j91 h MET 215 Ca -0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 1j91 h MET 215 Cb 0.29 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1j91 h MET 215 CO 0.02 0.45 -0.77 2.35 1.06 0.00 0.00 176.91 180.01 1j91 h TRP 216 N 0.00 0.90 -0.47 -0.22 2.91 -1.16 -1.22 115.95 116.69 1j91 h TRP 216 Ca -0.00 -0.44 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 1j91 h TRP 216 Cb 0.99 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 1j91 h TRP 216 CO 0.00 1.27 0.27 0.77 -1.03 0.00 0.00 178.44 179.72 1j91 h SER 217 N 0.28 0.58 -0.61 2.65 0.02 -1.30 -0.97 113.55 114.20 1j91 h SER 217 Ca -0.08 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1j91 h SER 217 Cb 1.43 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 1j91 h SER 217 CO 0.16 0.48 0.38 0.25 -1.14 0.00 0.00 176.83 176.95 1j91 h LEU 218 N 0.63 0.61 -1.22 5.07 5.85 -1.10 -1.77 115.31 123.37 1j91 h LEU 218 Ca 0.17 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1j91 h LEU 218 Cb 0.02 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1j91 h LEU 218 CO -0.03 0.43 0.54 1.23 -0.34 0.00 0.00 178.44 180.27 1j91 h GLY 219 N 0.74 1.15 1.17 3.75 0.00 -0.57 0.81 103.07 110.13 1j91 h GLY 219 Ca 0.24 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 1j91 h GLY 219 CO -0.10 0.35 -0.13 0.00 0.00 0.00 0.00 176.54 176.66 1j91 h MET 221 N 0.85 0.29 -0.01 0.00 2.07 -0.60 -1.69 114.93 115.85 1j91 h MET 221 Ca 0.13 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.71 1j91 h MET 221 Cb 0.68 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.35 1j91 h MET 221 CO 0.05 0.43 -0.11 0.35 1.07 0.00 0.00 176.91 178.70 1j91 h PHE 222 N 0.11 -0.27 -0.80 -0.22 3.57 -0.67 0.61 116.94 119.27 1j91 h PHE 222 Ca 0.06 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1j91 h PHE 222 Cb 0.27 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 1j91 h PHE 222 CO 0.01 -0.16 0.48 0.00 -2.23 0.00 0.00 178.31 176.40 1j91 h ALA 223 N 0.80 1.10 -0.76 2.41 0.00 -1.12 -0.66 119.26 121.02 1j91 h ALA 223 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j91 h ALA 223 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j91 h ALA 223 CO -0.11 0.18 0.47 0.78 0.00 0.00 0.00 179.25 180.57 1j91 h GLY 224 N 0.85 1.09 0.22 0.00 0.00 -0.47 -1.48 103.07 103.29 1j91 h GLY 224 Ca 0.36 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1j91 h GLY 224 CO -0.19 0.42 -0.01 -0.33 0.00 0.00 0.00 176.54 176.43 1j91 h MET 225 N 1.04 -0.03 0.00 4.80 2.07 0.24 -2.14 114.93 120.91 1j91 h MET 225 Ca 0.28 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.82 1j91 h MET 225 Cb -0.07 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.65 1j91 h MET 225 CO -0.05 0.67 -0.41 -0.84 1.07 0.00 0.00 176.91 177.34 1j91 h ILE 226 N -0.81 1.06 -0.02 -1.22 3.07 -1.17 -3.06 117.51 115.36 1j91 h ILE 226 Ca -0.00 -1.54 0.00 0.00 1.55 0.00 0.00 64.86 64.86 1j91 h ILE 226 Cb 0.72 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1j91 h ILE 226 CO 0.01 0.40 -0.08 0.49 -1.05 0.00 0.00 178.15 177.92 1j91 n PHE 227 N -3.70 0.00 -3.74 0.16 3.72 -0.56 -4.48 117.46 108.85 1j91 n PHE 227 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 1j91 n PHE 227 Cb 0.50 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.08 1j91 n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1j91 n ARG 228 N 0.68 -6.58 -3.61 -1.08 5.12 -1.01 -4.79 116.66 105.39 1j91 n ARG 228 Ca 0.15 0.71 -0.27 0.00 -1.93 0.00 0.00 57.85 56.50 1j91 n ARG 228 Cb 0.49 -5.65 -0.11 0.00 -1.16 0.00 0.00 32.46 26.03 1j91 n ARG 228 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1j91 n LYS 229 N -4.77 1.11 0.00 5.56 4.81 -0.84 -5.06 118.16 118.99 1j91 n LYS 229 Ca -0.01 -3.87 0.00 0.00 -0.87 0.00 0.00 58.31 53.56 1j91 n LYS 229 Cb 0.56 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1j91 n LYS 229 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1j91 n GLU 230 N 2.22 0.00 -2.21 1.64 0.00 -1.26 -1.78 120.64 119.26 1j91 n GLU 230 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.98 1j91 n GLU 230 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 31.44 31.82 1j91 n GLU 230 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1j91 s PRO 231 N 0.00 3.43 0.20 3.44 0.02 -1.26 -4.56 135.00 136.26 1j91 s PRO 231 Ca 0.00 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.98 1j91 s PRO 231 Cb 0.00 -4.11 0.12 0.00 0.02 0.00 0.00 34.50 30.53 1j91 s PRO 231 CO 0.00 -1.75 1.80 0.35 -0.33 0.00 0.00 177.00 177.08 1j91 h PHE 232 N 11.70 0.97 -3.48 6.54 3.57 -1.59 -3.33 116.94 131.32 1j91 h PHE 232 Ca -0.30 -0.03 -0.71 0.00 3.53 0.00 0.00 57.97 60.47 1j91 h PHE 232 Cb 1.13 -0.31 -0.33 0.00 2.79 0.00 0.00 35.95 39.23 1j91 h PHE 232 CO 0.97 0.70 -0.40 -0.06 -2.23 0.00 0.00 178.31 177.29 1j91 s PHE 233 N -5.81 3.50 -0.85 0.41 0.08 -1.26 -5.04 117.98 109.01 1j91 s PHE 233 Ca -0.13 -2.36 -0.14 0.00 0.12 0.00 0.00 56.93 54.42 1j91 s PHE 233 Cb 0.14 -3.32 0.21 0.00 -0.57 0.00 0.00 43.02 39.48 1j91 s PHE 233 CO 0.79 -0.93 0.81 -0.47 -0.10 0.00 0.00 175.22 175.32 1j91 s TYR 234 N 0.71 3.74 0.39 0.36 5.04 -1.25 -4.55 117.35 121.78 1j91 s TYR 234 Ca 0.11 -1.98 0.01 0.00 -2.44 0.00 0.00 57.07 52.78 1j91 s TYR 234 Cb -0.22 -3.86 -0.02 0.00 0.35 0.00 0.00 41.96 38.22 1j91 s TYR 234 CO -0.03 -1.03 0.59 0.20 -1.34 0.00 0.00 175.55 173.94 1j91 s GLY 235 N 2.24 1.46 0.05 8.97 0.00 -1.26 -4.97 107.32 113.81 1j91 s GLY 235 Ca 0.20 -1.04 0.22 0.00 0.00 0.00 0.00 44.72 44.10 1j91 s GLY 235 CO -0.09 -0.93 0.71 1.42 0.00 0.00 0.00 173.10 174.21 1j91 n HIS 236 N -1.89 0.33 -3.82 1.90 -0.00 -1.26 -4.89 115.22 105.59 1j91 n HIS 236 Ca -0.02 0.10 -0.09 0.00 -0.00 0.00 0.00 57.72 57.71 1j91 n HIS 236 Cb 0.57 -0.63 0.02 0.00 -0.00 0.00 0.00 29.99 29.95 1j91 n HIS 236 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1j91 s ASP 237 N -4.70 0.01 0.35 0.41 1.47 -1.26 -5.02 116.67 107.93 1j91 s ASP 237 Ca -0.04 -1.12 0.02 0.00 1.18 0.00 0.00 52.55 52.60 1j91 s ASP 237 Cb 0.13 0.84 0.63 0.00 -0.34 0.00 0.00 42.92 44.18 1j91 s ASP 237 CO 0.86 -1.66 2.00 0.78 0.68 0.00 0.00 175.17 177.84 1j91 h ASN 238 N 2.00 0.74 -0.17 2.11 2.35 -1.96 -1.01 115.58 119.63 1j91 h ASN 238 Ca -0.31 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.26 1j91 h ASN 238 Cb 1.25 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.44 1j91 h ASN 238 CO 0.39 0.53 -0.54 0.45 -1.65 0.00 0.00 177.43 176.61 1j91 h HIS 239 N 0.87 0.87 0.00 1.19 3.86 -1.97 -3.09 115.15 116.88 1j91 h HIS 239 Ca 0.25 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1j91 h HIS 239 Cb -0.06 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1j91 h HIS 239 CO -0.00 1.14 0.00 0.22 0.86 0.00 0.00 177.93 180.15 1j91 h ASP 240 N 0.35 0.00 -0.31 2.45 3.58 -1.89 -2.67 116.42 117.93 1j91 h ASP 240 Ca -0.02 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.30 1j91 h ASP 240 Cb 1.16 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 1j91 h ASP 240 CO 0.11 0.00 -0.31 -0.61 -2.88 0.00 0.00 179.24 175.56 1j91 h GLN 241 N 0.00 0.75 -0.32 0.28 5.75 -1.11 -2.06 115.11 118.40 1j91 h GLN 241 Ca 0.00 -0.40 -0.11 0.00 -0.15 0.00 0.00 58.65 58.00 1j91 h GLN 241 Cb 0.48 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1j91 h GLN 241 CO 0.00 1.02 -0.25 1.25 -2.65 0.00 0.00 178.83 178.19 1j91 h LEU 242 N 0.51 0.65 -0.38 -2.39 5.85 -1.50 -2.15 115.31 115.89 1j91 h LEU 242 Ca 0.05 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1j91 h LEU 242 Cb 0.88 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1j91 h LEU 242 CO 0.08 0.88 0.15 0.58 -0.34 0.00 0.00 178.44 179.78 1j91 h VAL 243 N 0.56 1.20 -0.74 1.05 2.07 -1.40 -0.45 116.25 118.54 1j91 h VAL 243 Ca 0.08 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1j91 h VAL 243 Cb 0.73 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1j91 h VAL 243 CO 0.06 0.22 0.41 0.11 0.02 0.00 0.00 177.57 178.38 1j91 h LYS 244 N 0.47 1.02 -0.23 1.57 1.79 -1.18 -1.74 116.57 118.26 1j91 h LYS 244 Ca 0.13 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1j91 h LYS 244 Cb 0.20 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1j91 h LYS 244 CO -0.01 0.74 -0.01 0.82 -1.08 0.00 0.00 179.45 179.92 1j91 h ILE 245 N 1.02 1.26 -0.50 1.86 2.04 -1.03 -3.02 117.51 119.15 1j91 h ILE 245 Ca 0.26 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1j91 h ILE 245 Cb 0.02 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1j91 h ILE 245 CO -0.04 0.28 0.33 0.00 0.00 0.00 0.00 178.15 178.72 1j91 h ALA 246 N 0.79 1.79 0.00 1.87 0.00 -0.61 -1.65 119.26 121.46 1j91 h ALA 246 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j91 h ALA 246 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j91 h ALA 246 CO 0.01 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1j91 n LYS 247 N -4.47 0.17 -0.07 0.00 5.02 -0.70 -0.48 118.16 117.62 1j91 n LYS 247 Ca 0.06 0.47 -0.14 0.00 -2.02 0.00 0.00 58.31 56.68 1j91 n LYS 247 Cb 0.16 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 1j91 n LYS 247 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1j91 n VAL 248 N -2.20 1.24 0.42 -0.18 0.31 -0.71 -4.43 118.33 112.78 1j91 n VAL 248 Ca 0.01 -0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.44 1j91 n VAL 248 Cb 0.17 -1.94 0.47 0.00 -0.91 0.00 0.00 33.84 31.63 1j91 n VAL 248 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1j91 h LEU 249 N -0.70 0.00 0.00 7.52 3.38 -1.40 0.11 115.31 124.22 1j91 h LEU 249 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j91 h LEU 249 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1j91 h LEU 249 CO -0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1j91 n GLY 250 N 0.50 0.15 0.13 0.83 0.00 0.36 -4.50 105.19 102.66 1j91 n GLY 250 Ca 0.03 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.49 1j91 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j91 h THR 251 N 0.00 0.39 -0.61 2.61 1.03 -1.35 -3.32 112.91 111.67 1j91 h THR 251 Ca 0.00 -1.66 0.03 0.00 -0.01 0.00 0.00 66.41 64.77 1j91 h THR 251 Cb 0.00 1.98 -0.04 0.00 -1.07 0.00 0.00 68.15 69.02 1j91 h THR 251 CO 0.00 0.22 0.37 0.44 -0.01 0.00 0.00 175.52 176.55 1j91 h ASP 252 N 0.00 0.61 0.44 0.00 3.45 -1.88 -0.88 116.42 118.16 1j91 h ASP 252 Ca -0.06 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.33 1j91 h ASP 252 Cb 1.31 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 1j91 h ASP 252 CO 0.03 0.43 -0.35 1.23 -1.57 0.00 0.00 179.24 179.01 1j91 h GLY 253 N 0.74 0.00 0.99 2.75 0.00 -1.83 -2.31 103.07 103.40 1j91 h GLY 253 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.46 1j91 h GLY 253 CO -0.10 0.00 -0.24 -2.00 0.00 0.00 0.00 176.54 174.20 1j91 h LEU 254 N 0.00 0.79 -0.98 3.11 5.85 -1.38 -2.51 115.31 120.19 1j91 h LEU 254 Ca -0.00 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1j91 h LEU 254 Cb 0.66 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1j91 h LEU 254 CO 0.05 1.06 0.04 0.78 -0.34 0.00 0.00 178.44 180.02 1j91 h ASN 255 N 0.52 0.74 -0.30 1.25 2.35 -0.96 -1.53 115.58 117.65 1j91 h ASN 255 Ca 0.06 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1j91 h ASN 255 Cb 0.80 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1j91 h ASN 255 CO 0.06 0.79 0.09 0.58 -1.65 0.00 0.00 177.43 177.30 1j91 h VAL 256 N 0.74 1.21 -0.70 2.81 2.07 -1.35 -1.57 116.25 119.45 1j91 h VAL 256 Ca 0.15 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1j91 h VAL 256 Cb 0.39 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1j91 h VAL 256 CO 0.01 0.23 0.46 0.22 0.02 0.00 0.00 177.57 178.51 1j91 h TYR 257 N 0.33 0.89 -0.40 1.57 3.20 -1.21 -0.78 116.97 120.57 1j91 h TYR 257 Ca 0.10 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1j91 h TYR 257 Cb 0.26 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1j91 h TYR 257 CO 0.01 0.57 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.02 1j91 h LEU 258 N 0.95 0.69 -0.54 2.82 3.38 -1.17 -2.67 115.31 118.77 1j91 h LEU 258 Ca 0.26 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1j91 h LEU 258 Cb -0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1j91 h LEU 258 CO -0.05 0.84 0.30 0.78 0.09 0.00 0.00 178.44 180.39 1j91 h ASN 259 N 0.53 0.67 -0.64 -0.43 2.35 -1.05 0.57 115.58 117.58 1j91 h ASN 259 Ca 0.11 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1j91 h ASN 259 Cb 0.49 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1j91 h ASN 259 CO 0.02 0.57 0.31 0.50 -1.65 0.00 0.00 177.43 177.18 1j91 h LYS 260 N 0.72 0.91 -0.62 0.81 3.64 -1.08 -2.77 116.57 118.18 1j91 h LYS 260 Ca 0.19 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1j91 h LYS 260 Cb 0.04 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1j91 h LYS 260 CO -0.03 0.72 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 1j91 n TYR 261 N -4.50 0.94 -3.47 1.91 4.01 -1.01 -4.97 117.16 110.06 1j91 n TYR 261 Ca 0.04 -0.44 -0.21 0.00 -0.16 0.00 0.00 57.90 57.14 1j91 n TYR 261 Cb 0.12 -0.06 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1j91 n TYR 261 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1j91 n ARG 262 N 1.20 -1.50 -4.68 -0.72 3.00 -0.38 -5.02 116.66 108.56 1j91 n ARG 262 Ca 0.21 0.78 -0.25 0.00 -0.01 0.00 0.00 57.85 58.58 1j91 n ARG 262 Cb 0.59 -4.64 -0.14 0.00 0.00 0.00 0.00 32.46 28.26 1j91 n ARG 262 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1j91 s ILE 263 N -3.31 1.54 -0.13 0.55 1.01 0.05 -5.03 121.20 115.88 1j91 s ILE 263 Ca 0.34 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1j91 s ILE 263 Cb -0.10 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.08 1j91 s ILE 263 CO 0.82 0.24 -0.07 -1.61 0.00 0.00 0.00 174.94 174.32 1j91 s GLU 264 N -0.95 1.47 0.79 2.79 2.02 -1.26 -4.52 118.70 119.04 1j91 s GLU 264 Ca 0.07 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.62 1j91 s GLU 264 Cb -0.08 -1.70 0.07 0.00 0.10 0.00 0.00 34.13 32.52 1j91 s GLU 264 CO 0.01 -0.32 1.12 -0.51 0.02 0.00 0.00 175.26 175.59 1j91 s LEU 265 N 1.70 3.07 0.07 1.80 1.43 -1.26 -4.95 118.68 120.53 1j91 s LEU 265 Ca 0.04 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 54.85 1j91 s LEU 265 Cb -0.13 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 1j91 s LEU 265 CO -0.08 -2.30 1.54 -0.62 0.23 0.00 0.00 176.35 175.11 1j91 s ASP 266 N -2.90 6.70 0.51 2.29 3.68 -1.26 -4.79 116.67 120.90 1j91 s ASP 266 Ca 0.65 2.38 0.40 0.00 2.13 0.00 0.00 52.55 58.11 1j91 s ASP 266 Cb -0.21 -2.57 1.58 0.00 -1.45 0.00 0.00 42.92 40.28 1j91 s ASP 266 CO 0.53 -0.80 1.64 -0.65 0.13 0.00 0.00 175.17 176.01 1j91 h PRO 267 N 7.80 0.04 0.00 4.34 0.11 -1.99 0.73 132.00 143.03 1j91 h PRO 267 Ca -0.41 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 1j91 h PRO 267 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1j91 h PRO 267 CO 0.91 0.02 -0.81 -0.56 -0.21 0.00 0.00 178.00 177.35 1j91 h GLN 268 N 0.04 0.00 0.13 1.05 -0.00 -2.00 -2.67 115.11 111.66 1j91 h GLN 268 Ca 0.82 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 59.18 1j91 h GLN 268 Cb 3.03 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 30.54 1j91 h GLN 268 CO -0.16 0.81 -1.24 1.25 -0.00 0.00 0.00 178.83 179.49 1j91 h LEU 269 N 0.00 0.76 -0.56 0.06 5.85 0.01 -2.55 115.31 118.88 1j91 h LEU 269 Ca -0.01 -0.72 0.01 0.00 0.84 0.00 0.00 57.88 58.00 1j91 h LEU 269 Cb 1.45 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1j91 h LEU 269 CO 0.11 1.53 0.37 -0.08 -0.34 0.00 0.00 178.44 180.03 1j91 h GLU 270 N 0.22 0.73 -0.40 1.25 4.81 -1.04 0.32 114.58 120.47 1j91 h GLU 270 Ca -0.18 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 1j91 h GLU 270 Cb 1.92 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.12 1j91 h GLU 270 CO 0.23 0.48 -0.17 0.00 -0.73 0.00 0.00 179.01 178.82 1j91 h ALA 271 N 1.20 0.96 -0.72 2.92 0.00 -1.54 -0.80 119.26 121.28 1j91 h ALA 271 Ca 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1j91 h ALA 271 Cb -0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1j91 h ALA 271 CO -0.04 0.61 0.28 1.25 0.00 0.00 0.00 179.25 181.34 1j91 h LEU 272 N 0.66 0.99 -0.12 0.00 5.85 -0.94 -2.79 115.31 118.96 1j91 h LEU 272 Ca 0.10 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1j91 h LEU 272 Cb 0.66 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1j91 h LEU 272 CO 0.05 0.88 -0.33 0.58 -0.34 0.00 0.00 178.44 179.28 1j91 h VAL 273 N 1.05 1.38 0.00 1.05 2.07 -0.69 -3.48 116.25 117.62 1j91 h VAL 273 Ca 0.24 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1j91 h VAL 273 Cb 0.21 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1j91 h VAL 273 CO -0.02 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.67 1j91 n GLY 274 N 0.53 1.30 2.96 2.17 0.00 -0.33 -4.75 105.19 107.07 1j91 n GLY 274 Ca -0.07 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1j91 n GLY 274 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j91 s ARG 275 N 0.00 1.24 0.00 1.61 0.52 -1.26 -4.96 118.95 116.10 1j91 s ARG 275 Ca 0.00 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1j91 s ARG 275 Cb 0.00 -1.10 -0.00 0.00 0.52 0.00 0.00 34.95 34.37 1j91 s ARG 275 CO 0.00 -0.01 0.10 -1.01 0.02 0.00 0.00 175.30 174.40 1j91 s HIS 276 N 0.72 0.07 0.37 -0.53 3.76 -1.26 -4.99 115.29 113.42 1j91 s HIS 276 Ca -0.12 -0.16 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 1j91 s HIS 276 Cb -0.15 -0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.43 1j91 s HIS 276 CO 0.02 -0.25 0.68 -1.12 -0.85 0.00 0.00 174.74 173.22 1j91 s SER 277 N -1.26 6.44 0.03 1.40 0.01 -1.26 -1.39 113.70 117.67 1j91 s SER 277 Ca -0.14 0.91 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 1j91 s SER 277 Cb -0.07 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.87 1j91 s SER 277 CO 0.01 -0.35 1.41 -0.60 0.41 0.00 0.00 173.24 174.12 1j91 s ARG 278 N -3.91 4.29 -0.39 12.44 3.52 -1.26 -4.19 118.95 129.45 1j91 s ARG 278 Ca 0.47 2.01 -0.17 0.00 -0.13 0.00 0.00 55.73 57.92 1j91 s ARG 278 Cb -0.10 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1j91 s ARG 278 CO 0.33 -0.55 0.43 0.21 -0.81 0.00 0.00 175.30 174.92 1j91 s LYS 279 N 2.08 3.31 0.34 5.12 2.20 0.37 -4.93 119.74 128.24 1j91 s LYS 279 Ca 0.65 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 1j91 s LYS 279 Cb -0.33 -3.90 -0.13 0.00 -1.51 0.00 0.00 37.83 31.96 1j91 s LYS 279 CO 0.28 -0.73 1.02 -0.35 -0.36 0.00 0.00 175.35 175.20 1j91 n PRO 280 N 5.57 1.40 0.07 4.03 -0.04 -1.26 -4.79 135.00 139.97 1j91 n PRO 280 Ca -0.07 0.49 0.20 0.00 -0.04 0.00 0.00 63.50 64.08 1j91 n PRO 280 Cb 0.48 -1.94 0.74 0.00 -0.04 0.00 0.00 33.50 32.74 1j91 n PRO 280 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j91 h TRP 281 N 1.85 0.00 0.00 0.54 4.06 -1.96 -2.11 115.95 118.33 1j91 h TRP 281 Ca -0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.53 1j91 h TRP 281 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.50 1j91 h TRP 281 CO 0.46 0.00 0.00 -0.07 -3.56 0.00 0.00 178.44 175.27 1j91 h LEU 282 N 0.00 0.00 -0.69 -4.49 4.07 -1.99 -2.87 115.31 109.34 1j91 h LEU 282 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1j91 h LEU 282 Cb 0.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1j91 h LEU 282 CO -0.00 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.65 1j91 n LYS 283 N -2.99 0.17 0.00 1.13 5.02 -0.79 -1.99 118.16 118.71 1j91 n LYS 283 Ca -0.01 0.43 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1j91 n LYS 283 Cb 0.18 -1.84 0.23 0.00 -0.02 0.00 0.00 35.03 33.58 1j91 n LYS 283 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1j91 n PHE 284 N -2.16 0.00 -2.77 2.13 3.72 -1.08 -4.91 117.46 112.38 1j91 n PHE 284 Ca 0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.03 1j91 n PHE 284 Cb 0.20 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 1j91 n PHE 284 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1j91 s MET 285 N -2.25 4.73 0.31 -1.08 1.75 -0.84 -4.92 119.30 117.00 1j91 s MET 285 Ca 0.27 1.41 -0.14 0.00 -1.25 0.00 0.00 55.69 55.98 1j91 s MET 285 Cb 0.19 -3.06 0.02 0.00 2.84 0.00 0.00 34.83 34.82 1j91 s MET 285 CO 0.44 0.41 0.63 0.54 -0.65 0.00 0.00 175.02 176.39 1j91 s ASN 286 N -1.38 0.07 0.60 1.11 2.20 -1.26 -5.03 114.94 111.26 1j91 s ASN 286 Ca 0.45 -1.01 0.35 0.00 -0.94 0.00 0.00 52.86 51.72 1j91 s ASN 286 Cb -0.23 0.71 1.95 0.00 -2.00 0.00 0.00 41.25 41.68 1j91 s ASN 286 CO 0.28 -1.38 2.25 0.00 -2.94 0.00 0.00 177.10 175.31 1j91 h ALA 287 N 2.09 1.25 -0.10 3.54 0.00 -1.98 0.21 119.26 124.26 1j91 h ALA 287 Ca -0.26 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1j91 h ALA 287 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j91 h ALA 287 CO 0.34 0.03 -0.70 0.22 0.00 0.00 0.00 179.25 179.15 1j91 h ASP 288 N 0.00 0.53 -0.01 0.00 3.58 -1.98 -3.33 116.42 115.21 1j91 h ASP 288 Ca -0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1j91 h ASP 288 Cb 0.10 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1j91 h ASP 288 CO 0.00 1.07 0.00 -0.46 -2.88 0.00 0.00 179.24 176.97 1j91 n ASN 289 N -3.87 1.63 -0.32 2.28 0.23 -0.98 -4.77 115.26 109.47 1j91 n ASN 289 Ca -0.04 -1.32 0.07 0.00 -0.53 0.00 0.00 54.58 52.76 1j91 n ASN 289 Cb 0.69 -0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.55 1j91 n ASN 289 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1j91 h GLN 290 N 1.42 0.02 0.00 -3.83 4.15 -0.71 0.24 115.11 116.40 1j91 h GLN 290 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1j91 h GLN 290 Cb 0.31 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1j91 h GLN 290 CO 0.00 0.01 0.00 -2.39 -1.93 0.00 0.00 178.83 174.52 1j91 n HIS 291 N -5.52 0.09 0.30 3.99 1.44 -1.26 -1.86 115.22 112.41 1j91 n HIS 291 Ca 0.16 0.05 0.09 0.00 -2.01 0.00 0.00 57.72 56.01 1j91 n HIS 291 Cb 0.53 -0.57 -0.13 0.00 0.12 0.00 0.00 29.99 29.93 1j91 n HIS 291 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1j91 n LEU 292 N -1.59 0.31 -4.86 2.39 4.77 0.83 -4.60 117.00 114.24 1j91 n LEU 292 Ca 0.01 -0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.45 1j91 n LEU 292 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1j91 n LEU 292 CO 0.05 0.08 0.07 -0.69 -1.33 0.00 0.00 177.39 175.57 1j91 s VAL 293 N -3.09 5.10 0.24 4.08 1.01 -0.77 -4.91 120.40 122.05 1j91 s VAL 293 Ca -0.02 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1j91 s VAL 293 Cb 0.13 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1j91 s VAL 293 CO 0.77 0.38 0.53 -0.94 0.00 0.00 0.00 175.10 175.84 1j91 s SER 294 N -1.55 -0.16 0.19 3.32 1.04 -1.26 -4.98 113.70 110.30 1j91 s SER 294 Ca 0.30 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 1j91 s SER 294 Cb -0.15 0.61 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1j91 s SER 294 CO 0.16 -1.16 1.83 -0.65 0.98 0.00 0.00 173.24 174.40 1j91 h PRO 295 N 2.20 0.83 -0.18 4.02 0.11 -2.00 -2.32 132.00 134.67 1j91 h PRO 295 Ca -0.25 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 1j91 h PRO 295 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1j91 h PRO 295 CO 0.33 0.58 -0.26 1.05 -0.21 0.00 0.00 178.00 179.50 1j91 h GLU 296 N 0.84 0.33 -0.53 1.05 9.09 -1.99 -1.72 114.58 121.65 1j91 h GLU 296 Ca 0.22 -0.12 -0.10 0.00 0.05 0.00 0.00 59.36 59.42 1j91 h GLU 296 Cb -0.04 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.01 1j91 h GLU 296 CO -0.04 0.57 -0.07 0.00 0.05 0.00 0.00 179.01 179.52 1j91 h ALA 297 N 1.44 0.89 -0.44 1.06 0.00 -1.85 -0.82 119.26 119.53 1j91 h ALA 297 Ca 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1j91 h ALA 297 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j91 h ALA 297 CO 0.04 0.64 -0.25 0.82 0.00 0.00 0.00 179.25 180.50 1j91 h ILE 298 N 0.86 1.27 -0.28 0.00 1.08 -1.15 -2.03 117.51 117.27 1j91 h ILE 298 Ca 0.15 -1.41 -0.03 0.00 -0.39 0.00 0.00 64.86 63.18 1j91 h ILE 298 Cb 0.60 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1j91 h ILE 298 CO 0.04 0.48 0.07 -0.78 -0.69 0.00 0.00 178.15 177.27 1j91 h ASP 299 N 0.80 0.42 0.23 1.72 3.58 -1.10 -0.56 116.42 121.50 1j91 h ASP 299 Ca 0.10 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1j91 h ASP 299 Cb 0.82 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1j91 h ASP 299 CO 0.07 0.53 -0.11 0.15 -2.88 0.00 0.00 179.24 177.01 1j91 h PHE 300 N 0.28 -0.28 -0.93 0.28 3.57 -1.13 -2.27 116.94 116.45 1j91 h PHE 300 Ca 0.09 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1j91 h PHE 300 Cb 0.28 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 1j91 h PHE 300 CO 0.01 -0.17 0.58 1.25 -2.23 0.00 0.00 178.31 177.75 1j91 h LEU 301 N -0.31 0.90 -1.77 0.59 5.85 -1.31 -1.21 115.31 118.04 1j91 h LEU 301 Ca -0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1j91 h LEU 301 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1j91 h LEU 301 CO 0.05 0.55 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.92 1j91 h ASP 302 N 1.02 0.12 0.30 1.25 3.58 -0.76 -1.67 116.42 120.26 1j91 h ASP 302 Ca 0.42 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1j91 h ASP 302 Cb 0.26 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1j91 h ASP 302 CO -0.20 0.15 -0.12 0.29 -2.88 0.00 0.00 179.24 176.47 1j91 n LYS 303 N -4.45 0.79 -0.12 0.28 5.02 -0.48 -4.03 118.16 115.17 1j91 n LYS 303 Ca -0.01 -0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 55.74 1j91 n LYS 303 Cb 0.14 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 1j91 n LYS 303 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j91 n LEU 304 N -0.83 2.26 -4.04 -0.35 4.77 -0.71 -1.94 117.00 116.16 1j91 n LEU 304 Ca 0.15 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 1j91 n LEU 304 Cb 0.29 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1j91 n LEU 304 CO 0.23 0.67 2.01 0.18 -1.33 0.00 0.00 177.39 179.15 1j91 n LEU 305 N -3.69 6.22 -4.42 2.23 4.77 -0.73 -4.57 117.00 116.81 1j91 n LEU 305 Ca -0.45 -4.41 -0.32 0.00 -0.03 0.00 0.00 56.01 50.80 1j91 n LEU 305 Cb 0.88 -1.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.25 1j91 n LEU 305 CO 0.11 1.05 -0.48 -0.13 -1.33 0.00 0.00 177.39 176.61 1j91 s ARG 306 N 1.70 2.55 0.11 3.23 1.81 -1.26 -4.94 118.95 122.15 1j91 s ARG 306 Ca 0.44 -0.75 -0.28 0.00 -1.72 0.00 0.00 55.73 53.42 1j91 s ARG 306 Cb 0.07 -2.33 -0.08 0.00 -0.45 0.00 0.00 34.95 32.16 1j91 s ARG 306 CO -0.01 0.54 1.63 1.88 -0.68 0.00 0.00 175.30 178.66 1j91 h TYR 307 N 5.60 -0.79 -2.53 -0.53 0.05 -1.91 -3.39 116.97 113.47 1j91 h TYR 307 Ca -0.42 0.02 -0.56 0.00 0.05 0.00 0.00 58.73 57.82 1j91 h TYR 307 Cb 1.16 0.33 -0.03 0.00 1.01 0.00 0.00 36.73 39.20 1j91 h TYR 307 CO 0.47 -0.40 1.29 0.34 -1.05 0.00 0.00 178.16 178.81 1j91 s ASP 308 N -4.80 5.75 0.42 3.88 -1.08 -1.26 -4.75 116.67 114.83 1j91 s ASP 308 Ca -0.16 1.04 0.17 0.00 -0.52 0.00 0.00 52.55 53.08 1j91 s ASP 308 Cb 0.08 -2.53 1.06 0.00 -1.46 0.00 0.00 42.92 40.08 1j91 s ASP 308 CO 0.65 -1.87 1.88 1.12 0.52 0.00 0.00 175.17 177.47 1j91 h HIS 309 N 13.33 0.53 0.00 -5.34 -0.00 -1.96 0.69 115.15 122.40 1j91 h HIS 309 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1j91 h HIS 309 Cb 1.16 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1j91 h HIS 309 CO 0.98 0.16 0.00 1.96 -0.00 0.00 0.00 177.93 181.03 1j91 h GLN 310 N 0.42 0.00 0.00 5.12 4.20 -1.94 -2.91 115.11 119.99 1j91 h GLN 310 Ca 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.12 1j91 h GLN 310 Cb 1.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1j91 h GLN 310 CO -0.15 0.00 -0.87 0.93 -0.67 0.00 0.00 178.83 178.06 1j91 h GLU 311 N 0.00 0.00 -7.14 1.46 5.08 -1.24 -3.48 114.58 109.27 1j91 h GLU 311 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1j91 h GLU 311 Cb 0.33 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.71 1j91 h GLU 311 CO 0.00 0.05 0.44 1.03 -1.00 0.00 0.00 179.01 179.52 1j91 s ARG 312 N -3.28 2.64 0.48 2.33 0.52 -1.10 -4.98 118.95 115.56 1j91 s ARG 312 Ca 0.01 1.77 -0.22 0.00 -0.52 0.00 0.00 55.73 56.76 1j91 s ARG 312 Cb 0.09 -1.89 -0.07 0.00 0.52 0.00 0.00 34.95 33.59 1j91 s ARG 312 CO 0.77 -1.45 1.17 -0.51 0.02 0.00 0.00 175.30 175.31 1j91 s LEU 313 N -4.54 3.97 0.71 2.53 1.43 -0.82 -5.02 118.68 116.93 1j91 s LEU 313 Ca 0.76 2.32 -0.08 0.00 -1.03 0.00 0.00 54.13 56.10 1j91 s LEU 313 Cb -0.29 -4.29 0.06 0.00 0.03 0.00 0.00 46.19 41.70 1j91 s LEU 313 CO 0.39 -1.00 1.03 0.42 0.23 0.00 0.00 176.35 177.42 1j91 s THR 314 N -1.56 2.39 0.17 5.49 -4.23 -1.26 -4.86 115.64 111.78 1j91 s THR 314 Ca 0.65 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 1j91 s THR 314 Cb -0.29 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 70.55 1j91 s THR 314 CO 0.35 -0.06 1.67 0.00 -0.54 0.00 0.00 174.62 176.03 1j91 h ALA 315 N -0.64 0.75 0.05 3.99 0.00 -1.93 -1.01 119.26 120.47 1j91 h ALA 315 Ca -0.45 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1j91 h ALA 315 Cb 1.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1j91 h ALA 315 CO 0.61 0.47 -0.09 1.25 0.00 0.00 0.00 179.25 181.49 1j91 h LEU 316 N 0.83 -0.26 -1.47 0.00 5.85 -1.93 -2.21 115.31 116.11 1j91 h LEU 316 Ca 0.18 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1j91 h LEU 316 Cb 0.37 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1j91 h LEU 316 CO 0.00 -0.14 0.14 -0.08 -0.34 0.00 0.00 178.44 178.02 1j91 h GLU 317 N -0.19 0.49 -0.83 1.25 4.57 -1.91 -1.99 114.58 115.97 1j91 h GLU 317 Ca 0.02 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1j91 h GLU 317 Cb 0.21 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1j91 h GLU 317 CO -0.06 0.41 0.53 0.00 -1.18 0.00 0.00 179.01 178.71 1j91 h ALA 318 N 1.66 1.11 -0.19 2.92 0.00 -0.60 -2.47 119.26 121.69 1j91 h ALA 318 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1j91 h ALA 318 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1j91 h ALA 318 CO -0.01 0.33 0.17 0.52 0.00 0.00 0.00 179.25 180.26 1j91 h MET 319 N 1.01 0.00 -0.02 0.00 2.86 -0.87 -1.98 114.93 115.93 1j91 h MET 319 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1j91 h MET 319 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1j91 h MET 319 CO -0.13 0.00 -0.03 0.25 1.06 0.00 0.00 176.91 178.06 1j91 n THR 320 N -4.05 0.00 -1.87 2.22 -2.24 -0.93 -4.79 114.28 102.61 1j91 n THR 320 Ca 0.02 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.13 1j91 n THR 320 Cb 0.30 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 1j91 n THR 320 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1j91 s HIS 321 N -2.06 2.50 0.58 4.78 2.46 -0.75 -4.87 115.29 117.94 1j91 s HIS 321 Ca 0.35 1.34 0.28 0.00 0.47 0.00 0.00 55.06 57.51 1j91 s HIS 321 Cb 0.21 -3.80 1.51 0.00 -0.13 0.00 0.00 32.58 30.37 1j91 s HIS 321 CO 0.35 -2.67 1.95 -1.35 -2.47 0.00 0.00 174.74 170.55 1j91 h PRO 322 N 2.11 0.00 -0.46 2.88 0.11 -1.91 -1.60 132.00 133.13 1j91 h PRO 322 Ca -0.51 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 1j91 h PRO 322 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1j91 h PRO 322 CO 0.60 0.00 0.32 -0.92 -0.21 0.00 0.00 178.00 177.80 1j91 h TYR 323 N 0.00 0.05 -0.02 0.65 3.20 -1.89 -1.53 116.97 117.42 1j91 h TYR 323 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1j91 h TYR 323 Cb 1.03 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1j91 h TYR 323 CO 0.00 0.02 -0.38 1.19 -1.64 0.00 0.00 178.16 177.36 1j91 n PHE 324 N -4.41 0.00 -0.33 -3.82 3.72 -0.60 -4.64 117.46 107.37 1j91 n PHE 324 Ca 0.08 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.75 1j91 n PHE 324 Cb 0.50 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.56 1j91 n PHE 324 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1j91 h GLN 325 N 2.89 0.18 -0.26 -1.08 -0.00 -1.33 0.23 115.11 115.74 1j91 h GLN 325 Ca 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.49 1j91 h GLN 325 Cb 0.80 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 28.24 1j91 h GLN 325 CO 0.00 0.12 -0.41 0.37 -0.00 0.00 0.00 178.83 178.91 1j91 h GLN 326 N 0.19 0.74 -0.70 0.06 4.15 -1.82 -1.28 115.11 116.45 1j91 h GLN 326 Ca 0.78 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1j91 h GLN 326 Cb 1.90 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.60 1j91 h GLN 326 CO -0.68 1.07 0.38 0.28 -1.93 0.00 0.00 178.83 177.95 1j91 h VAL 327 N 0.48 1.22 -0.20 2.39 2.07 -0.98 -2.60 116.25 118.63 1j91 h VAL 327 Ca 0.02 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1j91 h VAL 327 Cb 1.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1j91 h VAL 327 CO 0.09 0.24 0.10 -0.09 0.02 0.00 0.00 177.57 177.94 1j91 h ARG 328 N 0.96 0.28 -0.09 1.57 2.43 -0.89 -3.07 114.38 115.56 1j91 h ARG 328 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1j91 h ARG 328 Cb 0.05 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1j91 h ARG 328 CO -0.04 0.28 0.05 0.00 -1.51 0.00 0.00 179.97 178.75 1j91 h ALA 329 N 0.98 0.11 -0.62 2.80 0.00 -1.08 -2.20 119.26 119.24 1j91 h ALA 329 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.16 1j91 h ALA 329 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1j91 h ALA 329 CO -0.01 -0.41 0.46 0.00 0.00 0.00 0.00 179.25 179.28 1j91 h ALA 330 N 1.04 2.57 0.00 0.00 0.00 -1.45 0.16 119.26 121.58 1j91 h ALA 330 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j91 h ALA 330 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j91 h ALA 330 CO -0.02 -0.78 0.00 -1.91 0.00 0.00 0.00 179.25 176.54 1j91 n GLU 331 N -4.29 0.61 -3.20 0.00 2.13 -0.83 -4.57 120.64 110.48 1j91 n GLU 331 Ca 0.12 0.01 -0.45 0.00 0.66 0.00 0.00 57.16 57.50 1j91 n GLU 331 Cb 0.70 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.86 1j91 n GLU 331 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1j91 s ASN 332 N -2.04 6.19 0.00 4.31 0.02 0.55 -5.11 114.94 118.85 1j91 s ASN 332 Ca 0.30 -1.45 0.00 0.00 -1.02 0.00 0.00 52.86 50.68 1j91 s ASN 332 Cb 0.14 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 39.15 1j91 s ASN 332 CO 0.24 -0.96 0.00 -0.24 0.02 0.00 0.00 177.10 176.16