#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ll6 n VAL 19 N 0.00 0.30 0.00 -2.13 3.14 -1.26 -2.45 118.33 115.92 3ll6 n VAL 19 Ca 0.00 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3ll6 n VAL 19 Cb 0.00 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 3ll6 n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ll6 n GLY 20 N 3.99 1.80 3.79 7.55 0.00 -0.51 -5.06 105.19 116.76 3ll6 n GLY 20 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 3ll6 n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ll6 s GLN 21 N -0.13 3.12 0.57 1.61 -0.21 -1.03 -4.72 119.66 118.88 3ll6 s GLN 21 Ca 0.00 1.27 -0.09 0.00 0.02 0.00 0.00 55.36 56.56 3ll6 s GLN 21 Cb 0.00 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.97 3ll6 s GLN 21 CO 0.00 -0.98 0.95 0.99 -2.12 0.00 0.00 175.29 174.13 3ll6 s THR 22 N -2.41 4.77 -0.14 -0.19 2.01 -1.26 -1.36 115.64 117.05 3ll6 s THR 22 Ca 0.65 0.68 -0.13 0.00 0.31 0.00 0.00 61.69 63.20 3ll6 s THR 22 Cb -0.18 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.51 3ll6 s THR 22 CO 0.39 -1.03 0.38 -0.69 -0.69 0.00 0.00 174.62 172.98 3ll6 s VAL 23 N -3.01 -0.00 0.06 3.82 1.01 -0.34 -4.93 120.40 117.00 3ll6 s VAL 23 Ca 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 3ll6 s VAL 23 Cb -0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 3ll6 s VAL 23 CO 0.50 0.00 0.53 -1.83 0.00 0.00 0.00 175.10 174.30 3ll6 s GLU 24 N 0.21 4.13 -0.49 2.72 -1.05 -1.26 -0.85 118.70 122.11 3ll6 s GLU 24 Ca -0.00 0.66 0.06 0.00 -0.15 0.00 0.00 54.97 55.54 3ll6 s GLU 24 Cb -0.03 -3.23 0.19 0.00 -0.44 0.00 0.00 34.13 30.62 3ll6 s GLU 24 CO 0.00 0.65 0.64 -1.17 0.95 0.00 0.00 175.26 176.34 3ll6 s LEU 25 N -1.12 -0.88 0.00 1.83 0.20 -0.53 -4.99 118.68 113.19 3ll6 s LEU 25 Ca 0.28 -1.95 0.00 0.00 0.69 0.00 0.00 54.13 53.15 3ll6 s LEU 25 Cb -0.19 1.43 0.00 0.00 -0.43 0.00 0.00 46.19 47.00 3ll6 s LEU 25 CO 0.18 -0.08 0.00 0.61 -0.29 0.00 0.00 176.35 176.76 3ll6 n GLY 26 N 3.01 1.53 0.02 7.98 0.00 -1.26 -2.65 105.19 113.82 3ll6 n GLY 26 Ca 0.20 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3ll6 n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ll6 n GLU 27 N 12.51 0.04 -3.38 1.61 4.07 -1.26 -4.90 120.64 129.33 3ll6 n GLU 27 Ca 0.00 0.03 -0.33 0.00 -0.06 0.00 0.00 57.16 56.80 3ll6 n GLU 27 Cb 0.00 -1.55 -0.06 0.00 -0.06 0.00 0.00 31.44 29.78 3ll6 n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3ll6 s LEU 28 N -3.24 4.21 -0.07 4.31 1.43 -1.08 -5.09 118.68 119.15 3ll6 s LEU 28 Ca 0.13 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3ll6 s LEU 28 Cb 0.18 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3ll6 s LEU 28 CO 0.56 -0.03 -0.10 0.00 0.23 0.00 0.00 176.35 177.01 3ll6 s ARG 29 N -2.56 1.54 -0.10 1.70 1.04 -1.26 -1.45 118.95 117.86 3ll6 s ARG 29 Ca 0.45 -0.35 -0.01 0.00 -1.04 0.00 0.00 55.73 54.78 3ll6 s ARG 29 Cb -0.12 -1.33 0.03 0.00 -2.04 0.00 0.00 34.95 31.48 3ll6 s ARG 29 CO 0.20 -0.02 -0.04 -0.51 -0.04 0.00 0.00 175.30 174.89 3ll6 s LEU 30 N 0.81 0.97 -0.13 -1.89 1.43 -0.03 -2.32 118.68 117.53 3ll6 s LEU 30 Ca -0.12 -0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 52.43 3ll6 s LEU 30 Cb -0.15 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 3ll6 s LEU 30 CO 0.02 -0.16 0.95 -0.60 0.23 0.00 0.00 176.35 176.79 3ll6 s ARG 31 N 1.82 4.38 -0.46 1.70 6.06 0.13 -1.20 118.95 131.37 3ll6 s ARG 31 Ca 0.04 1.28 -0.22 0.00 -2.50 0.00 0.00 55.73 54.33 3ll6 s ARG 31 Cb -0.13 -3.56 0.03 0.00 0.06 0.00 0.00 34.95 31.36 3ll6 s ARG 31 CO -0.07 -0.33 0.76 0.08 -2.50 0.00 0.00 175.30 173.23 3ll6 s VAL 32 N 2.11 4.68 -0.11 7.11 1.01 -0.46 -1.07 120.40 133.67 3ll6 s VAL 32 Ca 0.45 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3ll6 s VAL 32 Cb -0.18 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.65 3ll6 s VAL 32 CO 0.16 -0.74 0.40 0.54 0.00 0.00 0.00 175.10 175.45 3ll6 n ARG 33 N 6.65 0.70 -3.58 2.72 1.74 0.31 -1.42 116.66 123.79 3ll6 n ARG 33 Ca 0.01 0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3ll6 n ARG 33 Cb 0.48 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 3ll6 n ARG 33 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ll6 s ARG 34 N -2.56 0.57 0.71 5.56 1.70 -1.24 -4.77 118.95 118.92 3ll6 s ARG 34 Ca -0.16 0.11 -0.15 0.00 -0.47 0.00 0.00 55.73 55.06 3ll6 s ARG 34 Cb 0.07 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3ll6 s ARG 34 CO 0.78 -0.19 1.16 0.08 -1.08 0.00 0.00 175.30 176.06 3ll6 s VAL 35 N -1.24 2.68 0.00 4.99 1.01 -1.26 -1.11 120.40 125.46 3ll6 s VAL 35 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3ll6 s VAL 35 Cb -0.01 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3ll6 s VAL 35 CO 0.00 -0.19 0.00 0.18 0.00 0.00 0.00 175.10 175.09 3ll6 n LEU 36 N -2.70 0.00 -3.64 3.92 4.77 0.33 -4.71 117.00 114.97 3ll6 n LEU 36 Ca 0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3ll6 n LEU 36 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3ll6 n LEU 36 CO 0.48 0.00 0.52 0.00 -1.33 0.00 0.00 177.39 177.05 3ll6 s ALA 37 N -1.43 -1.91 -0.30 -1.18 0.00 -1.16 -5.01 121.76 110.77 3ll6 s ALA 37 Ca 0.00 2.10 -0.13 0.00 0.00 0.00 0.00 51.96 53.93 3ll6 s ALA 37 Cb 0.00 -1.36 0.17 0.00 0.00 0.00 0.00 23.12 21.93 3ll6 s ALA 37 CO 0.00 -0.32 0.96 -2.00 0.00 0.00 0.00 175.76 174.40 3ll6 s GLU 38 N 0.72 0.30 0.00 0.00 2.12 -1.26 -1.60 118.70 118.97 3ll6 s GLU 38 Ca -0.02 0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.97 3ll6 s GLU 38 Cb -0.05 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3ll6 s GLU 38 CO -0.07 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3ll6 n GLY 40 N 5.16 0.00 2.69 -1.50 0.00 -1.26 -5.02 105.19 105.26 3ll6 n GLY 40 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3ll6 n GLY 40 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ll6 n PHE 41 N 0.00 2.48 -4.89 1.61 -0.00 -1.26 -4.89 117.46 110.51 3ll6 n PHE 41 Ca 0.00 -2.23 -0.26 0.00 -0.00 0.00 0.00 57.45 54.96 3ll6 n PHE 41 Cb 0.00 -1.27 -0.16 0.00 -0.00 0.00 0.00 39.48 38.06 3ll6 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ll6 s ALA 42 N -3.18 1.57 0.09 3.13 0.00 -1.26 -3.20 121.76 118.90 3ll6 s ALA 42 Ca 0.55 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3ll6 s ALA 42 Cb 0.42 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3ll6 s ALA 42 CO -0.31 0.33 -0.14 -0.59 0.00 0.00 0.00 175.76 175.06 3ll6 s PHE 43 N -0.19 1.25 -0.04 0.00 -0.00 -0.87 -4.67 117.98 113.45 3ll6 s PHE 43 Ca 0.01 -0.52 0.07 0.00 -0.00 0.00 0.00 56.93 56.49 3ll6 s PHE 43 Cb -0.10 -0.68 -0.02 0.00 -0.00 0.00 0.00 43.02 42.22 3ll6 s PHE 43 CO 0.01 0.08 -0.24 0.08 -0.00 0.00 0.00 175.22 175.15 3ll6 s VAL 44 N -1.71 2.20 0.22 -2.49 1.01 -0.63 -0.48 120.40 118.52 3ll6 s VAL 44 Ca 0.02 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.04 3ll6 s VAL 44 Cb -0.07 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3ll6 s VAL 44 CO 0.02 0.58 -0.13 -0.31 0.00 0.00 0.00 175.10 175.26 3ll6 s TYR 45 N -0.44 1.74 0.04 5.22 2.02 0.18 -0.52 117.35 125.60 3ll6 s TYR 45 Ca 0.05 -0.61 -0.23 0.00 -0.37 0.00 0.00 57.07 55.91 3ll6 s TYR 45 Cb -0.12 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.54 3ll6 s TYR 45 CO 0.01 0.33 0.69 -2.00 -1.57 0.00 0.00 175.55 173.01 3ll6 s GLU 46 N -3.67 4.42 0.01 -0.62 2.12 -0.27 -1.11 118.70 119.58 3ll6 s GLU 46 Ca 0.24 0.93 0.01 0.00 0.36 0.00 0.00 54.97 56.51 3ll6 s GLU 46 Cb 0.00 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 3ll6 s GLU 46 CO 0.08 0.37 -0.03 0.00 -0.54 0.00 0.00 175.26 175.14 3ll6 s ALA 47 N -0.29 0.23 0.05 6.30 0.00 -0.36 -0.53 121.76 127.16 3ll6 s ALA 47 Ca 0.35 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.15 3ll6 s ALA 47 Cb -0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3ll6 s ALA 47 CO 0.21 0.02 -0.20 -1.14 0.00 0.00 0.00 175.76 174.65 3ll6 s GLN 48 N -0.39 1.28 -0.23 0.00 0.74 -0.23 0.38 119.66 121.21 3ll6 s GLN 48 Ca -0.02 -0.96 -0.22 0.00 0.05 0.00 0.00 55.36 54.20 3ll6 s GLN 48 Cb -0.03 -1.41 -0.01 0.00 1.10 0.00 0.00 33.01 32.65 3ll6 s GLN 48 CO -0.00 0.35 0.72 0.34 -0.55 0.00 0.00 175.29 176.15 3ll6 s ASP 49 N -1.31 6.72 0.05 6.67 2.15 -0.47 0.23 116.67 130.71 3ll6 s ASP 49 Ca 0.06 0.89 -0.27 0.00 0.43 0.00 0.00 52.55 53.66 3ll6 s ASP 49 Cb -0.09 -2.38 -0.17 0.00 -0.30 0.00 0.00 42.92 39.98 3ll6 s ASP 49 CO 0.02 -0.41 1.53 0.58 -0.17 0.00 0.00 175.17 176.73 3ll6 h VAL 50 N 5.36 0.75 -0.02 1.11 2.07 -1.81 -1.17 116.25 122.53 3ll6 h VAL 50 Ca -0.27 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3ll6 h VAL 50 Cb 1.12 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3ll6 h VAL 50 CO 0.81 0.05 -0.07 1.23 0.02 0.00 0.00 177.57 179.61 3ll6 h GLY 51 N -0.52 -1.50 -2.00 2.17 0.00 -1.94 -3.34 103.07 95.93 3ll6 h GLY 51 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.97 3ll6 h GLY 51 CO 0.06 -0.54 0.00 -1.14 0.00 0.00 0.00 176.54 174.92 3ll6 n SER 52 N -2.96 3.07 0.00 0.19 3.41 -1.23 -4.97 113.62 111.14 3ll6 n SER 52 Ca -0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3ll6 n SER 52 Cb 0.05 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3ll6 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ll6 n GLY 53 N 1.43 0.78 3.76 5.00 0.00 -0.44 -4.99 105.19 110.72 3ll6 n GLY 53 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3ll6 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ll6 s ARG 54 N -0.30 4.46 0.11 1.61 0.52 -1.26 -4.72 118.95 119.37 3ll6 s ARG 54 Ca 0.00 1.93 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 3ll6 s ARG 54 Cb 0.00 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 3ll6 s ARG 54 CO 0.00 0.01 0.19 -1.21 0.02 0.00 0.00 175.30 174.30 3ll6 s GLU 55 N -1.70 3.22 0.08 3.54 2.02 -1.26 -1.37 118.70 123.23 3ll6 s GLU 55 Ca 0.48 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.79 3ll6 s GLU 55 Cb -0.34 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 3ll6 s GLU 55 CO 0.44 0.56 0.14 0.71 0.02 0.00 0.00 175.26 177.13 3ll6 s TYR 56 N -1.58 0.26 -0.09 1.61 2.02 0.16 -4.41 117.35 115.32 3ll6 s TYR 56 Ca 0.33 -0.72 -0.15 0.00 -0.37 0.00 0.00 57.07 56.15 3ll6 s TYR 56 Cb -0.12 -0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 3ll6 s TYR 56 CO 0.26 -0.51 0.39 0.00 -1.57 0.00 0.00 175.55 174.12 3ll6 s ALA 57 N -3.88 3.59 -0.20 3.71 0.00 0.52 -1.23 121.76 124.27 3ll6 s ALA 57 Ca 0.06 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.74 3ll6 s ALA 57 Cb 0.06 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.75 3ll6 s ALA 57 CO -0.10 0.20 -0.09 -1.17 0.00 0.00 0.00 175.76 174.60 3ll6 s LEU 58 N -0.01 2.26 -0.08 0.00 2.96 -0.27 -0.18 118.68 123.36 3ll6 s LEU 58 Ca 0.22 -0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 3ll6 s LEU 58 Cb -0.15 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 3ll6 s LEU 58 CO 0.09 -0.17 0.28 -0.75 -1.32 0.00 0.00 176.35 174.49 3ll6 s LYS 59 N 1.42 3.82 -0.15 1.98 2.20 0.92 -0.65 119.74 129.28 3ll6 s LYS 59 Ca -0.02 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 3ll6 s LYS 59 Cb -0.17 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3ll6 s LYS 59 CO -0.08 0.63 -0.11 0.50 -0.36 0.00 0.00 175.35 175.93 3ll6 s ARG 60 N -0.73 2.01 -0.08 4.03 3.52 0.37 -0.79 118.95 127.28 3ll6 s ARG 60 Ca 0.19 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.32 3ll6 s ARG 60 Cb -0.14 -2.02 -0.01 0.00 -1.56 0.00 0.00 34.95 31.23 3ll6 s ARG 60 CO 0.08 -0.28 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.54 3ll6 s LEU 61 N 1.54 2.12 -0.05 -0.88 1.02 -0.58 -2.05 118.68 119.80 3ll6 s LEU 61 Ca 0.04 -0.53 0.04 0.00 0.02 0.00 0.00 54.13 53.70 3ll6 s LEU 61 Cb -0.13 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 3ll6 s LEU 61 CO -0.10 0.19 -0.17 -0.76 0.02 0.00 0.00 176.35 175.54 3ll6 s LEU 62 N 0.14 2.58 -0.00 1.79 1.43 -1.19 -1.15 118.68 122.26 3ll6 s LEU 62 Ca -0.12 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3ll6 s LEU 62 Cb -0.16 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3ll6 s LEU 62 CO 0.07 0.31 -0.01 -0.55 0.23 0.00 0.00 176.35 176.40 3ll6 s SER 63 N -0.54 0.15 -0.01 2.29 0.15 0.06 -4.91 113.70 110.88 3ll6 s SER 63 Ca 0.07 -0.02 0.15 0.00 0.70 0.00 0.00 55.95 56.86 3ll6 s SER 63 Cb -0.11 -0.03 0.45 0.00 -1.71 0.00 0.00 66.02 64.62 3ll6 s SER 63 CO 0.01 -0.01 1.38 -0.46 1.20 0.00 0.00 173.24 175.36 3ll6 n ASN 64 N 3.22 3.40 -3.64 5.45 6.94 -1.26 -0.61 115.26 128.75 3ll6 n ASN 64 Ca -0.14 -2.04 -0.08 0.00 -0.02 0.00 0.00 54.58 52.29 3ll6 n ASN 64 Cb 0.58 -0.35 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 3ll6 n ASN 64 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3ll6 s GLU 65 N -1.08 0.42 0.21 -3.83 2.12 -1.26 -5.04 118.70 110.24 3ll6 s GLU 65 Ca 0.34 0.51 -0.02 0.00 0.36 0.00 0.00 54.97 56.16 3ll6 s GLU 65 Cb 0.18 0.20 0.18 0.00 0.26 0.00 0.00 34.13 34.96 3ll6 s GLU 65 CO 0.22 -0.05 1.56 1.05 -0.54 0.00 0.00 175.26 177.50 3ll6 h GLU 66 N 4.06 0.55 -0.96 4.30 4.11 -1.99 -0.76 114.58 123.89 3ll6 h GLU 66 Ca -0.28 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 58.84 3ll6 h GLU 66 Cb 1.18 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 3ll6 h GLU 66 CO 0.12 0.90 0.59 0.93 0.07 0.00 0.00 179.01 181.62 3ll6 h GLU 67 N 0.44 1.30 -0.02 1.06 4.39 -1.99 -1.04 114.58 118.72 3ll6 h GLU 67 Ca 0.03 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 59.45 3ll6 h GLU 67 Cb 0.97 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3ll6 h GLU 67 CO 0.09 0.89 -0.76 -0.22 -1.16 0.00 0.00 179.01 177.85 3ll6 h LYS 68 N 1.32 0.14 -0.14 2.33 3.64 -1.88 -1.48 116.57 120.50 3ll6 h LYS 68 Ca 0.35 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3ll6 h LYS 68 Cb -0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3ll6 h LYS 68 CO -0.07 0.83 0.05 -0.91 -2.27 0.00 0.00 179.45 177.09 3ll6 h ASN 69 N 0.09 0.07 -0.57 4.20 2.35 -0.52 0.47 115.58 121.67 3ll6 h ASN 69 Ca -0.02 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ll6 h ASN 69 Cb 1.33 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.67 3ll6 h ASN 69 CO 0.11 0.06 0.34 -0.09 -1.65 0.00 0.00 177.43 176.21 3ll6 h ARG 70 N 0.13 0.77 -0.61 0.81 2.43 -0.96 0.28 114.38 117.23 3ll6 h ARG 70 Ca 0.06 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3ll6 h ARG 70 Cb 0.02 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3ll6 h ARG 70 CO -0.05 0.56 0.17 0.00 -1.51 0.00 0.00 179.97 179.13 3ll6 h ALA 71 N 1.17 1.14 -0.09 2.80 0.00 -0.65 -0.40 119.26 123.23 3ll6 h ALA 71 Ca 0.20 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3ll6 h ALA 71 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ll6 h ALA 71 CO -0.04 0.58 -0.36 0.82 0.00 0.00 0.00 179.25 180.25 3ll6 h ILE 72 N 0.91 1.40 -0.90 0.00 2.04 -0.49 -2.19 117.51 118.28 3ll6 h ILE 72 Ca 0.20 -1.72 0.03 0.00 1.00 0.00 0.00 64.86 64.37 3ll6 h ILE 72 Cb 0.29 2.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 3ll6 h ILE 72 CO -0.00 0.50 0.59 0.40 0.00 0.00 0.00 178.15 179.64 3ll6 h ILE 73 N -0.04 1.18 -0.57 -0.67 2.04 -0.79 -1.52 117.51 117.13 3ll6 h ILE 73 Ca -0.02 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 3ll6 h ILE 73 Cb 1.00 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3ll6 h ILE 73 CO 0.08 0.21 -0.01 -0.61 0.00 0.00 0.00 178.15 177.82 3ll6 h GLN 74 N 1.15 0.99 -0.67 2.37 5.75 -0.96 -0.31 115.11 123.45 3ll6 h GLN 74 Ca 0.35 -0.31 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3ll6 h GLN 74 Cb -0.04 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3ll6 h GLN 74 CO -0.09 0.98 0.20 1.49 -2.65 0.00 0.00 178.83 178.76 3ll6 h GLU 75 N 0.91 1.05 -0.49 1.69 4.81 -0.79 -1.01 114.58 120.75 3ll6 h GLU 75 Ca 0.16 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3ll6 h GLU 75 Cb 0.54 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3ll6 h GLU 75 CO 0.03 0.92 0.09 0.28 -0.73 0.00 0.00 179.01 179.59 3ll6 h VAL 76 N 0.98 1.25 -0.96 0.32 2.07 -0.79 -0.78 116.25 118.34 3ll6 h VAL 76 Ca 0.21 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3ll6 h VAL 76 Cb 0.31 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3ll6 h VAL 76 CO -0.00 0.32 0.63 0.00 0.02 0.00 0.00 177.57 178.54 3ll6 h PHE 78 N 1.24 0.51 -1.00 0.00 0.04 -0.81 -0.82 116.94 116.10 3ll6 h PHE 78 Ca 0.37 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 61.08 3ll6 h PHE 78 Cb -0.04 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 37.92 3ll6 h PHE 78 CO -0.01 0.61 0.66 1.98 -0.60 0.00 0.00 178.31 180.96 3ll6 h MET 79 N 0.26 1.27 -0.44 1.51 4.05 -0.82 -0.80 114.93 119.97 3ll6 h MET 79 Ca 0.08 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 3ll6 h MET 79 Cb 0.41 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3ll6 h MET 79 CO 0.01 0.84 0.12 -0.22 0.23 0.00 0.00 176.91 177.90 3ll6 h LYS 80 N 1.31 0.69 -0.43 0.39 3.64 -0.97 -1.46 116.57 119.74 3ll6 h LYS 80 Ca 0.39 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3ll6 h LYS 80 Cb -0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3ll6 h LYS 80 CO -0.10 0.69 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.37 3ll6 h LYS 81 N 0.57 0.82 0.00 1.90 1.63 -0.71 -3.19 116.57 117.59 3ll6 h LYS 81 Ca 0.14 -0.31 -0.11 0.00 -0.85 0.00 0.00 60.65 59.52 3ll6 h LYS 81 Cb 0.29 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 3ll6 h LYS 81 CO -0.00 0.93 -0.92 -0.07 -3.45 0.00 0.00 179.45 175.94 3ll6 h LEU 82 N 0.73 0.00 -9.53 5.20 3.38 -1.07 -3.46 115.31 110.56 3ll6 h LEU 82 Ca 0.11 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.49 3ll6 h LEU 82 Cb 0.68 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.56 3ll6 h LEU 82 CO 0.05 0.42 0.06 -0.24 0.09 0.00 0.00 178.44 178.82 3ll6 n SER 83 N -2.99 0.93 0.00 -0.43 2.88 -0.56 -3.34 113.62 110.11 3ll6 n SER 83 Ca -0.03 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3ll6 n SER 83 Cb 0.73 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 3ll6 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ll6 n GLY 84 N 1.29 0.92 3.78 0.46 0.00 -1.26 -4.99 105.19 105.39 3ll6 n GLY 84 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3ll6 n GLY 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ll6 s HIS 85 N -1.14 3.52 -0.50 1.61 5.04 -1.21 -4.95 115.29 117.66 3ll6 s HIS 85 Ca 0.00 1.72 0.25 0.00 -1.54 0.00 0.00 55.06 55.49 3ll6 s HIS 85 Cb 0.00 -3.03 0.96 0.00 0.04 0.00 0.00 32.58 30.56 3ll6 s HIS 85 CO 0.00 -0.16 1.74 -0.35 -2.34 0.00 0.00 174.74 173.63 3ll6 n PRO 86 N 0.37 0.22 -0.59 2.88 -0.04 -1.26 -2.13 135.00 134.45 3ll6 n PRO 86 Ca 0.03 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 3ll6 n PRO 86 Cb 0.50 -1.88 0.28 0.00 -0.04 0.00 0.00 33.50 32.35 3ll6 n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ll6 n ASN 87 N -2.29 4.08 -4.27 3.54 4.13 -1.26 -4.87 115.26 114.32 3ll6 n ASN 87 Ca 0.03 -3.10 -0.29 0.00 1.68 0.00 0.00 54.58 52.90 3ll6 n ASN 87 Cb 0.27 -0.59 -0.16 0.00 -1.54 0.00 0.00 39.78 37.77 3ll6 n ASN 87 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ll6 s ILE 88 N -2.88 1.85 0.51 2.41 -1.09 -0.91 -0.72 121.20 120.38 3ll6 s ILE 88 Ca 0.45 -1.06 -0.23 0.00 -2.23 0.00 0.00 60.65 57.58 3ll6 s ILE 88 Cb 0.37 -1.55 -0.06 0.00 -1.58 0.00 0.00 42.46 39.64 3ll6 s ILE 88 CO 0.09 0.47 1.38 0.54 -1.23 0.00 0.00 174.94 176.19 3ll6 s VAL 89 N -0.60 2.11 -0.15 2.92 0.11 -0.44 -4.71 120.40 119.65 3ll6 s VAL 89 Ca 0.09 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 3ll6 s VAL 89 Cb -0.09 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 3ll6 s VAL 89 CO -0.00 0.00 0.43 0.00 -3.33 0.00 0.00 175.10 172.21 3ll6 s GLN 90 N -2.73 4.28 -0.02 1.54 1.03 -1.26 -4.55 119.66 117.95 3ll6 s GLN 90 Ca 0.67 0.34 -0.29 0.00 0.04 0.00 0.00 55.36 56.12 3ll6 s GLN 90 Cb -0.41 -3.46 -0.03 0.00 0.03 0.00 0.00 33.01 29.13 3ll6 s GLN 90 CO 0.50 0.11 0.95 0.12 -2.54 0.00 0.00 175.29 174.43 3ll6 s PHE 91 N 0.82 3.63 -0.17 9.60 5.36 -1.26 -0.68 117.98 135.28 3ll6 s PHE 91 Ca 0.23 1.63 -0.08 0.00 -0.96 0.00 0.00 56.93 57.75 3ll6 s PHE 91 Cb -0.15 -3.09 -0.08 0.00 -0.34 0.00 0.00 43.02 39.37 3ll6 s PHE 91 CO 0.09 -0.03 -0.22 0.00 -1.46 0.00 0.00 175.22 173.60 3ll6 s SER 93 N -6.48 -0.23 0.04 0.00 0.15 -0.86 -5.01 113.70 101.31 3ll6 s SER 93 Ca -0.24 -0.34 -0.03 0.00 0.70 0.00 0.00 55.95 56.03 3ll6 s SER 93 Cb 0.09 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3ll6 s SER 93 CO 0.31 -0.90 0.04 0.00 1.20 0.00 0.00 173.24 173.89 3ll6 s ALA 94 N -3.33 0.10 0.28 5.45 0.00 -1.26 0.07 121.76 123.07 3ll6 s ALA 94 Ca 0.11 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 3ll6 s ALA 94 Cb -0.02 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.35 3ll6 s ALA 94 CO 0.00 -0.30 0.61 0.00 0.00 0.00 0.00 175.76 176.08 3ll6 s ALA 95 N -2.70 -0.65 0.03 0.00 0.00 -0.77 -4.94 121.76 112.75 3ll6 s ALA 95 Ca -0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 3ll6 s ALA 95 Cb -0.01 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.06 3ll6 s ALA 95 CO -0.05 -0.94 0.22 -1.54 0.00 0.00 0.00 175.76 173.44 3ll6 s SER 96 N -3.00 -0.01 -0.02 0.00 1.04 -1.26 -0.89 113.70 109.56 3ll6 s SER 96 Ca 0.17 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.36 3ll6 s SER 96 Cb -0.03 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3ll6 s SER 96 CO 0.09 -0.54 -0.16 -0.63 0.98 0.00 0.00 173.24 172.99 3ll6 s ILE 97 N -2.36 1.25 0.69 -1.02 1.01 0.64 -5.00 121.20 116.41 3ll6 s ILE 97 Ca -0.07 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 3ll6 s ILE 97 Cb -0.02 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.41 3ll6 s ILE 97 CO -0.03 0.36 1.26 -0.83 0.00 0.00 0.00 174.94 175.70 3ll6 s GLY 98 N -0.23 2.61 0.16 6.18 0.00 -1.26 -1.89 107.32 112.89 3ll6 s GLY 98 Ca 0.03 1.07 -0.18 0.00 0.00 0.00 0.00 44.72 45.64 3ll6 s GLY 98 CO 0.00 1.49 1.68 1.70 0.00 0.00 0.00 173.10 177.97 3ll6 h LYS 99 N 0.09 -0.01 -0.91 2.90 1.63 -1.89 -2.71 116.57 115.69 3ll6 h LYS 99 Ca -0.49 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.25 3ll6 h LYS 99 Cb 1.32 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.91 3ll6 h LYS 99 CO 0.51 -0.00 0.08 0.39 -3.45 0.00 0.00 179.45 176.98 3ll6 n GLU 100 N -5.28 2.03 0.00 1.90 4.71 -1.26 -3.58 120.64 119.16 3ll6 n GLU 100 Ca 0.01 -1.07 0.00 0.00 -0.01 0.00 0.00 57.16 56.09 3ll6 n GLU 100 Cb 0.20 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 3ll6 n GLU 100 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3ll6 n GLU 101 N 0.12 0.00 -4.37 3.49 1.02 -1.08 -5.14 120.64 114.67 3ll6 n GLU 101 Ca 0.13 -0.33 -0.19 0.00 -0.02 0.00 0.00 57.16 56.76 3ll6 n GLU 101 Cb 0.69 -0.37 -0.10 0.00 -0.02 0.00 0.00 31.44 31.64 3ll6 n GLU 101 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ll6 s SER 102 N 0.00 2.60 0.38 1.62 0.15 -1.04 -4.80 113.70 112.62 3ll6 s SER 102 Ca 0.00 -1.08 0.10 0.00 0.70 0.00 0.00 55.95 55.67 3ll6 s SER 102 Cb 0.00 -0.14 0.77 0.00 -1.71 0.00 0.00 66.02 64.94 3ll6 s SER 102 CO 0.00 -0.23 1.89 0.44 1.20 0.00 0.00 173.24 176.54 3ll6 h ASP 103 N 2.47 0.16 0.75 5.45 3.32 -1.90 -3.07 116.42 123.59 3ll6 h ASP 103 Ca -0.39 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3ll6 h ASP 103 Cb 1.22 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3ll6 h ASP 103 CO 0.64 0.38 -0.78 1.07 -1.72 0.00 0.00 179.24 178.82 3ll6 n THR 104 N -4.23 0.33 -1.68 0.35 5.66 -1.26 -4.93 114.28 108.52 3ll6 n THR 104 Ca -0.01 -0.29 -0.14 0.00 -3.05 0.00 0.00 64.05 60.55 3ll6 n THR 104 Cb 0.31 -0.05 -0.04 0.00 -1.55 0.00 0.00 70.33 68.99 3ll6 n THR 104 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ll6 n GLY 105 N 1.33 0.96 3.29 1.09 0.00 -1.16 -5.02 105.19 105.68 3ll6 n GLY 105 Ca 0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 3ll6 n GLY 105 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ll6 s GLN 106 N -3.68 1.20 0.17 1.61 -0.21 -1.26 -4.86 119.66 112.64 3ll6 s GLN 106 Ca 0.00 -1.57 -0.32 0.00 0.02 0.00 0.00 55.36 53.49 3ll6 s GLN 106 Cb 0.00 -0.60 -0.10 0.00 1.00 0.00 0.00 33.01 33.31 3ll6 s GLN 106 CO 0.00 -0.02 1.58 0.00 -2.12 0.00 0.00 175.29 174.73 3ll6 s ALA 107 N -3.40 3.79 -0.10 6.09 0.00 0.21 -3.62 121.76 124.74 3ll6 s ALA 107 Ca 0.23 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.62 3ll6 s ALA 107 Cb 0.04 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3ll6 s ALA 107 CO 0.05 -0.80 -0.23 -1.21 0.00 0.00 0.00 175.76 173.57 3ll6 s GLU 108 N 1.18 2.99 -0.11 0.00 2.02 -0.79 -0.76 118.70 123.23 3ll6 s GLU 108 Ca 0.71 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.87 3ll6 s GLU 108 Cb -0.44 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.51 3ll6 s GLU 108 CO 0.31 0.15 -0.22 -0.06 0.02 0.00 0.00 175.26 175.47 3ll6 s PHE 109 N 0.41 2.43 -0.11 1.61 0.08 -0.30 -0.26 117.98 121.84 3ll6 s PHE 109 Ca -0.17 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.83 3ll6 s PHE 109 Cb -0.18 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 3ll6 s PHE 109 CO 0.08 -0.45 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.12 3ll6 s LEU 110 N 0.51 2.85 -0.16 -0.37 1.43 -0.07 -1.52 118.68 121.35 3ll6 s LEU 110 Ca -0.15 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3ll6 s LEU 110 Cb -0.17 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.47 3ll6 s LEU 110 CO 0.06 0.23 0.05 -0.22 0.23 0.00 0.00 176.35 176.70 3ll6 s LEU 111 N -0.04 0.77 -0.17 1.79 0.20 0.03 -1.84 118.68 119.42 3ll6 s LEU 111 Ca -0.02 -0.62 -0.06 0.00 0.69 0.00 0.00 54.13 54.12 3ll6 s LEU 111 Cb -0.14 -0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 3ll6 s LEU 111 CO 0.04 -0.30 0.04 -0.22 -0.29 0.00 0.00 176.35 175.61 3ll6 s LEU 112 N 1.98 3.72 0.04 -0.68 2.96 0.11 -0.06 118.68 126.75 3ll6 s LEU 112 Ca 0.01 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3ll6 s LEU 112 Cb -0.16 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3ll6 s LEU 112 CO -0.08 0.19 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.24 3ll6 s THR 113 N 0.27 0.17 0.31 3.68 2.01 0.74 -0.45 115.64 122.37 3ll6 s THR 113 Ca 0.02 -1.38 -0.27 0.00 0.31 0.00 0.00 61.69 60.37 3ll6 s THR 113 Cb -0.13 -0.97 -0.14 0.00 0.01 0.00 0.00 72.50 71.28 3ll6 s THR 113 CO 0.01 -0.76 0.93 1.21 -0.69 0.00 0.00 174.62 175.31 3ll6 n GLU 114 N 0.75 1.17 -3.29 4.92 2.13 0.15 -0.36 120.64 126.11 3ll6 n GLU 114 Ca -0.18 0.41 -0.38 0.00 0.66 0.00 0.00 57.16 57.66 3ll6 n GLU 114 Cb 0.58 -1.77 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 3ll6 n GLU 114 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3ll6 s LEU 115 N 0.66 4.22 0.59 4.31 2.96 -1.26 -4.04 118.68 126.12 3ll6 s LEU 115 Ca 0.60 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.32 3ll6 s LEU 115 Cb -0.69 -2.70 0.08 0.00 0.50 0.00 0.00 46.19 43.38 3ll6 s LEU 115 CO 0.59 -0.07 0.82 0.00 -1.32 0.00 0.00 176.35 176.37 3ll6 h LYS 117 N 0.03 0.43 0.00 0.00 3.64 -1.15 -3.45 116.57 116.06 3ll6 h LYS 117 Ca -0.34 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 3ll6 h LYS 117 Cb 1.28 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3ll6 h LYS 117 CO 0.42 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 178.98 3ll6 n GLY 118 N 0.49 -1.69 3.75 5.01 0.00 -1.16 -4.87 105.19 106.72 3ll6 n GLY 118 Ca -0.04 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 3ll6 n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ll6 s GLN 119 N -1.98 4.80 0.24 1.61 -0.21 -1.26 -1.21 119.66 121.65 3ll6 s GLN 119 Ca 0.00 1.55 -0.04 0.00 0.02 0.00 0.00 55.36 56.89 3ll6 s GLN 119 Cb 0.00 -3.27 0.44 0.00 1.00 0.00 0.00 33.01 31.18 3ll6 s GLN 119 CO 0.00 0.42 1.76 1.25 -2.12 0.00 0.00 175.29 176.60 3ll6 h LEU 120 N 4.28 0.45 -2.13 2.90 5.85 -1.32 -1.93 115.31 123.41 3ll6 h LEU 120 Ca -0.45 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 3ll6 h LEU 120 Cb 1.20 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3ll6 h LEU 120 CO 0.68 0.21 -0.06 -0.37 -0.34 0.00 0.00 178.44 178.57 3ll6 h VAL 121 N 0.58 0.70 -0.25 1.05 -1.51 -1.80 -0.19 116.25 114.83 3ll6 h VAL 121 Ca 0.41 -0.23 -0.12 0.00 -1.23 0.00 0.00 66.70 65.52 3ll6 h VAL 121 Cb 0.53 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 3ll6 h VAL 121 CO -0.34 0.06 -0.35 -0.33 -1.23 0.00 0.00 177.57 175.38 3ll6 h GLU 122 N 0.00 0.55 -0.07 5.19 4.39 -1.73 -0.71 114.58 122.19 3ll6 h GLU 122 Ca -0.00 -0.25 -0.20 0.00 0.34 0.00 0.00 59.36 59.25 3ll6 h GLU 122 Cb 0.14 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3ll6 h GLU 122 CO 0.01 0.82 -0.77 0.74 -1.16 0.00 0.00 179.01 178.65 3ll6 h PHE 123 N 0.46 0.63 -0.50 4.33 0.04 -1.11 -3.17 116.94 117.62 3ll6 h PHE 123 Ca 0.05 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3ll6 h PHE 123 Cb 0.83 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 3ll6 h PHE 123 CO 0.03 1.07 0.11 -0.07 -0.60 0.00 0.00 178.31 178.85 3ll6 h LEU 124 N 0.30 0.71 -0.93 1.54 3.38 -1.03 -2.89 115.31 116.40 3ll6 h LEU 124 Ca -0.04 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3ll6 h LEU 124 Cb 1.37 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 3ll6 h LEU 124 CO 0.14 0.71 0.56 0.11 0.09 0.00 0.00 178.44 180.05 3ll6 h LYS 125 N 0.74 0.87 0.00 1.13 1.57 -1.11 -0.13 116.57 119.64 3ll6 h LYS 125 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ll6 h LYS 125 Cb 0.29 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ll6 h LYS 125 CO -0.00 0.58 -0.01 0.87 -0.57 0.00 0.00 179.45 180.31 3ll6 h LYS 126 N 0.90 0.00 0.00 3.15 1.79 -1.55 -1.45 116.57 119.42 3ll6 h LYS 126 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 3ll6 h LYS 126 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ll6 h LYS 126 CO -0.27 0.01 -0.08 0.52 -1.08 0.00 0.00 179.45 178.56 3ll6 h MET 127 N 0.00 0.00 -0.87 3.15 2.86 -1.08 -3.38 114.93 115.62 3ll6 h MET 127 Ca -0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3ll6 h MET 127 Cb 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 3ll6 h MET 127 CO 0.00 0.00 0.57 0.93 1.06 0.00 0.00 176.91 179.47 3ll6 h GLU 128 N 0.00 1.03 0.00 1.72 5.08 -1.21 0.77 114.58 121.97 3ll6 h GLU 128 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3ll6 h GLU 128 Cb 0.77 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ll6 h GLU 128 CO 0.00 0.68 -0.08 0.66 -1.00 0.00 0.00 179.01 179.27 3ll6 h SER 129 N 1.06 0.00 0.06 1.42 4.64 -1.76 -3.34 113.55 115.63 3ll6 h SER 129 Ca 0.35 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 3ll6 h SER 129 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3ll6 h SER 129 CO -0.11 0.08 -1.34 0.03 -0.87 0.00 0.00 176.83 174.62 3ll6 h ARG 130 N 0.00 0.13 0.00 4.77 3.08 -1.11 -3.51 114.38 117.74 3ll6 h ARG 130 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ll6 h ARG 130 Cb 0.76 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3ll6 h ARG 130 CO 0.01 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.42 3ll6 n GLY 131 N 1.64 0.33 3.69 0.04 0.00 -0.69 -5.12 105.19 105.09 3ll6 n GLY 131 Ca -0.28 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3ll6 n GLY 131 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ll6 s PRO 132 N -1.89 1.50 0.45 1.61 0.02 -1.26 -4.67 135.00 130.76 3ll6 s PRO 132 Ca 0.00 1.70 -0.24 0.00 0.02 0.00 0.00 61.00 62.49 3ll6 s PRO 132 Cb 0.00 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 3ll6 s PRO 132 CO 0.00 -2.31 1.24 -0.51 -0.33 0.00 0.00 177.00 175.10 3ll6 s LEU 133 N -5.92 4.07 0.66 -5.54 1.43 -1.26 -4.99 118.68 107.14 3ll6 s LEU 133 Ca 0.72 2.51 -0.17 0.00 -1.03 0.00 0.00 54.13 56.16 3ll6 s LEU 133 Cb -0.27 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.84 3ll6 s LEU 133 CO 0.52 -0.99 1.20 -0.94 0.23 0.00 0.00 176.35 176.37 3ll6 s SER 134 N -1.06 4.73 0.35 2.29 1.04 -1.26 -4.87 113.70 114.93 3ll6 s SER 134 Ca 0.62 2.32 0.09 0.00 0.48 0.00 0.00 55.95 59.46 3ll6 s SER 134 Cb -0.34 -2.59 0.81 0.00 0.10 0.00 0.00 66.02 64.00 3ll6 s SER 134 CO 0.42 -1.90 1.87 0.00 0.98 0.00 0.00 173.24 174.61 3ll6 h ASP 136 N 0.70 0.35 -0.17 0.00 3.32 -1.99 -0.04 116.42 118.58 3ll6 h ASP 136 Ca 0.45 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3ll6 h ASP 136 Cb 0.71 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3ll6 h ASP 136 CO -0.21 0.74 -0.00 0.74 -1.72 0.00 0.00 179.24 178.78 3ll6 h THR 137 N 0.27 1.26 -0.28 0.35 2.02 -1.81 -1.65 112.91 113.07 3ll6 h THR 137 Ca 0.02 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.38 3ll6 h THR 137 Cb 0.87 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3ll6 h THR 137 CO 0.07 0.26 0.00 0.58 0.37 0.00 0.00 175.52 176.80 3ll6 h VAL 138 N 0.05 0.80 -0.49 3.16 2.07 -1.26 -1.27 116.25 119.31 3ll6 h VAL 138 Ca 0.05 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3ll6 h VAL 138 Cb 0.39 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3ll6 h VAL 138 CO 0.01 0.02 0.07 0.25 0.02 0.00 0.00 177.57 177.94 3ll6 h LEU 139 N 0.09 -0.05 -0.35 2.57 5.85 -0.84 -0.05 115.31 122.53 3ll6 h LEU 139 Ca 0.13 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 3ll6 h LEU 139 Cb 0.17 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3ll6 h LEU 139 CO -0.22 0.00 -0.33 0.11 -0.34 0.00 0.00 178.44 177.67 3ll6 h LYS 140 N 0.20 0.83 -0.15 1.25 1.57 -0.92 0.67 116.57 120.03 3ll6 h LYS 140 Ca 0.24 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3ll6 h LYS 140 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3ll6 h LYS 140 CO -0.34 1.07 0.06 0.82 -0.57 0.00 0.00 179.45 180.49 3ll6 h ILE 141 N 0.62 0.98 0.01 1.86 2.04 -0.90 -1.53 117.51 120.57 3ll6 h ILE 141 Ca 0.06 -0.05 -0.23 0.00 1.00 0.00 0.00 64.86 65.64 3ll6 h ILE 141 Cb 0.91 0.82 0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3ll6 h ILE 141 CO 0.08 0.03 -0.90 0.15 0.00 0.00 0.00 178.15 177.51 3ll6 h PHE 142 N 0.14 0.89 -0.42 1.37 3.57 -0.92 -0.85 116.94 120.73 3ll6 h PHE 142 Ca 0.06 -0.49 0.08 0.00 3.53 0.00 0.00 57.97 61.15 3ll6 h PHE 142 Cb 0.03 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 3ll6 h PHE 142 CO -0.10 1.32 -0.01 -0.92 -2.23 0.00 0.00 178.31 176.37 3ll6 h TYR 143 N 0.21 -0.04 -0.32 0.41 3.20 -0.81 0.12 116.97 119.74 3ll6 h TYR 143 Ca -0.11 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 3ll6 h TYR 143 Cb 1.57 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 3ll6 h TYR 143 CO 0.12 -0.10 -0.31 1.96 -1.64 0.00 0.00 178.16 178.19 3ll6 h GLN 144 N 0.10 0.68 -0.20 1.82 4.20 -1.13 0.95 115.11 121.53 3ll6 h GLN 144 Ca 0.21 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3ll6 h GLN 144 Cb 0.30 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3ll6 h GLN 144 CO -0.36 0.91 0.09 1.15 -0.67 0.00 0.00 178.83 179.95 3ll6 h THR 145 N 0.58 1.14 0.00 -0.54 2.02 -0.78 -2.83 112.91 112.50 3ll6 h THR 145 Ca 0.07 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 3ll6 h THR 145 Cb 0.82 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3ll6 h THR 145 CO 0.07 0.14 -0.33 0.00 0.37 0.00 0.00 175.52 175.77 3ll6 h ARG 147 N 0.00 0.89 -0.21 0.00 2.47 -0.67 0.16 114.38 117.03 3ll6 h ARG 147 Ca -0.00 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 3ll6 h ARG 147 Cb 0.65 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3ll6 h ARG 147 CO 0.04 0.89 0.11 0.00 0.56 0.00 0.00 179.97 181.57 3ll6 h ALA 148 N 1.17 0.27 -0.54 0.04 0.00 -1.20 -2.00 119.26 116.99 3ll6 h ALA 148 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ll6 h ALA 148 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ll6 h ALA 148 CO 0.02 -0.19 0.11 0.28 0.00 0.00 0.00 179.25 179.48 3ll6 h VAL 149 N 0.22 1.23 -0.72 0.00 2.07 -0.98 -2.35 116.25 115.72 3ll6 h VAL 149 Ca 0.07 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3ll6 h VAL 149 Cb 0.09 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3ll6 h VAL 149 CO -0.01 0.32 0.45 -0.61 0.02 0.00 0.00 177.57 177.73 3ll6 h GLN 150 N 0.80 0.84 -0.30 1.57 4.15 -0.44 0.92 115.11 122.65 3ll6 h GLN 150 Ca 0.17 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 3ll6 h GLN 150 Cb 0.32 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3ll6 h GLN 150 CO 0.00 0.56 -0.00 1.25 -1.93 0.00 0.00 178.83 178.70 3ll6 h HIS 151 N 0.87 0.48 0.03 3.99 2.76 -0.87 -0.26 115.15 122.15 3ll6 h HIS 151 Ca 0.29 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3ll6 h HIS 151 Cb 0.05 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.87 3ll6 h HIS 151 CO -0.04 0.48 -0.02 0.52 -1.30 0.00 0.00 177.93 177.57 3ll6 h MET 152 N 0.45 -0.04 0.00 5.26 2.86 -0.71 -3.22 114.93 119.52 3ll6 h MET 152 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3ll6 h MET 152 Cb 0.30 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3ll6 h MET 152 CO 0.01 0.36 -0.01 0.45 1.06 0.00 0.00 176.91 178.78 3ll6 h HIS 153 N -0.46 0.00 0.00 -0.22 -0.00 -0.53 -1.84 115.15 112.10 3ll6 h HIS 153 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3ll6 h HIS 153 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 3ll6 h HIS 153 CO 0.07 0.01 -0.47 0.54 -0.00 0.00 0.00 177.93 178.07 3ll6 n ARG 154 N -3.12 0.27 -0.75 2.45 1.74 -0.14 -4.50 116.66 112.61 3ll6 n ARG 154 Ca -0.00 0.11 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 3ll6 n ARG 154 Cb 0.27 -1.71 0.14 0.00 -1.02 0.00 0.00 32.46 30.14 3ll6 n ARG 154 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ll6 n GLN 155 N -2.12 -0.35 -3.78 5.56 1.13 -1.01 -4.91 117.38 111.90 3ll6 n GLN 155 Ca 0.04 -0.05 -0.30 0.00 -1.94 0.00 0.00 57.00 54.75 3ll6 n GLN 155 Cb 0.43 -2.07 -0.14 0.00 0.11 0.00 0.00 30.24 28.57 3ll6 n GLN 155 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3ll6 s LYS 156 N -4.02 1.08 0.68 -1.09 3.01 -1.26 -2.11 119.74 116.02 3ll6 s LYS 156 Ca 0.61 -1.59 -0.11 0.00 -1.01 0.00 0.00 55.97 53.87 3ll6 s LYS 156 Cb -0.22 -2.34 -0.00 0.00 -1.01 0.00 0.00 37.83 34.26 3ll6 s LYS 156 CO 0.64 -1.05 1.06 -1.25 0.51 0.00 0.00 175.35 175.26 3ll6 s PRO 157 N 0.99 3.08 0.58 -1.68 0.04 -1.26 -5.06 135.00 131.69 3ll6 s PRO 157 Ca 0.13 0.75 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 3ll6 s PRO 157 Cb -0.20 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3ll6 s PRO 157 CO -0.12 -0.94 1.23 -2.14 0.04 0.00 0.00 177.00 175.07 3ll6 s PRO 158 N -5.17 3.00 -0.20 0.56 0.02 -0.90 -4.87 135.00 127.45 3ll6 s PRO 158 Ca 0.57 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.44 3ll6 s PRO 158 Cb -0.12 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 3ll6 s PRO 158 CO 0.54 -1.21 0.03 0.42 -0.33 0.00 0.00 177.00 176.45 3ll6 s ILE 159 N -1.52 4.25 -0.18 2.83 1.01 -0.72 -4.47 121.20 122.39 3ll6 s ILE 159 Ca 0.76 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 3ll6 s ILE 159 Cb -0.32 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3ll6 s ILE 159 CO 0.36 0.43 -0.01 -0.63 0.00 0.00 0.00 174.94 175.09 3ll6 s ILE 160 N 0.85 4.01 -0.08 2.92 -1.09 0.26 -3.61 121.20 124.47 3ll6 s ILE 160 Ca 0.02 -0.30 -0.27 0.00 -2.23 0.00 0.00 60.65 57.86 3ll6 s ILE 160 Cb -0.14 -2.79 -0.23 0.00 -1.58 0.00 0.00 42.46 37.72 3ll6 s ILE 160 CO 0.02 0.46 1.02 -0.74 -1.23 0.00 0.00 174.94 174.47 3ll6 h HIS 161 N 7.08 -0.00 0.00 3.97 2.76 -1.89 0.15 115.15 127.21 3ll6 h HIS 161 Ca -0.34 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3ll6 h HIS 161 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3ll6 h HIS 161 CO 0.56 0.72 0.00 0.54 -1.30 0.00 0.00 177.93 178.46 3ll6 n ARG 162 N -4.74 0.00 -2.74 5.26 1.74 -1.26 -2.49 116.66 112.43 3ll6 n ARG 162 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3ll6 n ARG 162 Cb 0.36 -3.11 0.06 0.00 -1.02 0.00 0.00 32.46 28.75 3ll6 n ARG 162 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ll6 n ASP 163 N 0.00 1.13 -4.68 0.55 2.03 -1.26 -5.01 116.55 109.31 3ll6 n ASP 163 Ca 0.00 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 3ll6 n ASP 163 Cb 0.00 -0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 3ll6 n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ll6 s LEU 164 N -3.65 4.29 -0.04 -2.67 1.43 -1.26 -4.98 118.68 111.79 3ll6 s LEU 164 Ca 0.25 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 3ll6 s LEU 164 Cb 0.34 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 43.03 3ll6 s LEU 164 CO -0.06 -0.76 0.28 -0.54 0.23 0.00 0.00 176.35 175.50 3ll6 s LYS 165 N 2.90 0.54 0.32 1.70 1.02 -1.26 -4.81 119.74 120.16 3ll6 s LYS 165 Ca 0.64 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.59 3ll6 s LYS 165 Cb -0.30 0.24 0.55 0.00 -0.52 0.00 0.00 37.83 37.81 3ll6 s LYS 165 CO 0.25 -0.13 1.90 -0.24 -0.92 0.00 0.00 175.35 176.21 3ll6 h VAL 166 N 4.17 1.19 0.00 3.17 3.04 -1.94 -2.49 116.25 123.40 3ll6 h VAL 166 Ca -0.29 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3ll6 h VAL 166 Cb 1.18 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3ll6 h VAL 166 CO 0.38 0.24 0.00 -1.84 -1.01 0.00 0.00 177.57 175.34 3ll6 n GLU 167 N -4.33 0.04 0.00 4.17 0.00 -1.26 -2.51 120.64 116.76 3ll6 n GLU 167 Ca 0.04 0.24 0.11 0.00 0.00 0.00 0.00 57.16 57.54 3ll6 n GLU 167 Cb 0.17 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.07 3ll6 n GLU 167 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3ll6 n ASN 168 N -1.46 0.77 -4.76 -1.84 3.02 -0.94 -4.87 115.26 105.19 3ll6 n ASN 168 Ca 0.04 -0.67 -0.40 0.00 -0.03 0.00 0.00 54.58 53.51 3ll6 n ASN 168 Cb 0.15 0.94 -0.04 0.00 -0.61 0.00 0.00 39.78 40.22 3ll6 n ASN 168 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ll6 s LEU 169 N -3.27 4.52 0.21 3.41 1.43 -1.04 -4.60 118.68 119.34 3ll6 s LEU 169 Ca 0.06 2.35 0.08 0.00 -1.03 0.00 0.00 54.13 55.59 3ll6 s LEU 169 Cb 0.16 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3ll6 s LEU 169 CO 0.84 -0.23 0.05 -0.76 0.23 0.00 0.00 176.35 176.48 3ll6 s LEU 170 N -1.45 3.44 -0.19 1.79 1.43 -0.51 -0.96 118.68 122.24 3ll6 s LEU 170 Ca 0.46 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3ll6 s LEU 170 Cb -0.34 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3ll6 s LEU 170 CO 0.43 0.04 0.02 -0.22 0.23 0.00 0.00 176.35 176.85 3ll6 s LEU 171 N -3.32 3.43 0.89 1.79 2.96 -0.35 -0.55 118.68 123.53 3ll6 s LEU 171 Ca 0.30 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.97 3ll6 s LEU 171 Cb -0.08 -1.87 0.12 0.00 0.50 0.00 0.00 46.19 44.86 3ll6 s LEU 171 CO 0.21 0.10 1.16 -0.94 -1.32 0.00 0.00 176.35 175.55 3ll6 s SER 172 N 0.81 3.76 0.50 3.68 1.04 0.03 -0.76 113.70 122.76 3ll6 s SER 172 Ca 0.01 0.88 0.34 0.00 0.48 0.00 0.00 55.95 57.66 3ll6 s SER 172 Cb -0.14 -1.40 1.73 0.00 0.10 0.00 0.00 66.02 66.31 3ll6 s SER 172 CO 0.02 -2.39 2.02 0.78 0.98 0.00 0.00 173.24 174.66 3ll6 h ASN 173 N -1.39 0.00 0.09 7.02 -0.26 -1.88 -0.65 115.58 118.51 3ll6 h ASN 173 Ca -0.49 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 3ll6 h ASN 173 Cb 1.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 3ll6 h ASN 173 CO 0.62 0.00 -0.15 0.00 -1.06 0.00 0.00 177.43 176.83 3ll6 n GLN 174 N -2.73 1.34 -1.33 0.81 3.00 -1.26 -4.94 117.38 112.27 3ll6 n GLN 174 Ca -0.01 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 3ll6 n GLN 174 Cb 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.87 3ll6 n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ll6 n GLY 175 N 1.29 0.65 3.50 1.08 0.00 -0.25 -4.56 105.19 106.89 3ll6 n GLY 175 Ca 0.15 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 3ll6 n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ll6 s THR 176 N -2.00 2.70 0.29 2.61 -4.23 -1.26 -0.20 115.64 113.54 3ll6 s THR 176 Ca 0.00 -2.07 -0.29 0.00 -1.18 0.00 0.00 61.69 58.15 3ll6 s THR 176 Cb 0.00 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.38 3ll6 s THR 176 CO 0.00 -0.24 1.06 -0.63 -0.54 0.00 0.00 174.62 174.27 3ll6 s ILE 177 N -2.04 3.63 -0.02 2.99 -1.09 -1.26 -0.79 121.20 122.62 3ll6 s ILE 177 Ca 0.26 1.59 0.03 0.00 -2.23 0.00 0.00 60.65 60.30 3ll6 s ILE 177 Cb -0.07 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3ll6 s ILE 177 CO 0.14 0.34 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.54 3ll6 s LYS 178 N -1.52 1.02 0.11 2.79 -0.14 0.29 -4.41 119.74 117.87 3ll6 s LYS 178 Ca 0.45 -0.38 -0.12 0.00 -1.36 0.00 0.00 55.97 54.55 3ll6 s LYS 178 Cb -0.30 -0.96 -0.06 0.00 -1.68 0.00 0.00 37.83 34.83 3ll6 s LYS 178 CO 0.38 0.19 0.48 -0.51 -0.76 0.00 0.00 175.35 175.13 3ll6 s LEU 179 N -0.05 4.35 0.00 3.17 1.43 0.11 -1.42 118.68 126.27 3ll6 s LEU 179 Ca 0.01 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 3ll6 s LEU 179 Cb -0.07 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.04 3ll6 s LEU 179 CO 0.00 0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.73 3ll6 s ASP 181 N 0.00 5.48 -0.27 0.00 -4.77 -1.26 -4.90 116.67 110.95 3ll6 s ASP 181 Ca 0.00 -3.48 0.12 0.00 -3.30 0.00 0.00 52.55 45.90 3ll6 s ASP 181 Cb 0.00 -1.83 0.70 0.00 -1.09 0.00 0.00 42.92 40.70 3ll6 s ASP 181 CO 0.00 -0.22 1.68 0.49 0.70 0.00 0.00 175.17 177.82 3ll6 n PHE 182 N 2.61 1.91 0.27 2.11 3.72 -1.26 -4.45 117.46 122.38 3ll6 n PHE 182 Ca 0.17 -1.04 0.15 0.00 -0.05 0.00 0.00 57.45 56.68 3ll6 n PHE 182 Cb 0.37 -0.55 0.69 0.00 -0.94 0.00 0.00 39.48 39.05 3ll6 n PHE 182 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ll6 h GLY 183 N 2.67 0.00 -0.83 1.37 0.00 -1.91 -2.57 103.07 101.81 3ll6 h GLY 183 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3ll6 h GLY 183 CO 0.53 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.51 3ll6 n SER 184 N -3.26 2.06 -4.76 0.19 7.64 -1.26 -4.95 113.62 109.28 3ll6 n SER 184 Ca -0.00 -1.57 -0.32 0.00 1.01 0.00 0.00 58.87 57.99 3ll6 n SER 184 Cb 0.30 -0.06 0.08 0.00 -1.01 0.00 0.00 64.21 63.52 3ll6 n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ll6 s ALA 185 N -0.83 2.28 0.22 -0.43 0.00 -0.97 -4.58 121.76 117.44 3ll6 s ALA 185 Ca 0.13 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 3ll6 s ALA 185 Cb 0.08 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.90 3ll6 s ALA 185 CO 0.12 -1.65 0.48 -0.08 0.00 0.00 0.00 175.76 174.63 3ll6 s THR 186 N -2.63 0.02 0.00 0.00 -1.32 0.04 -4.97 115.64 106.78 3ll6 s THR 186 Ca 0.64 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 3ll6 s THR 186 Cb -0.19 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.90 3ll6 s THR 186 CO 0.50 -0.10 0.00 1.07 -2.21 0.00 0.00 174.62 173.88 3ll6 n THR 187 N -0.34 0.00 -4.12 5.08 5.66 -1.26 -0.57 114.28 118.72 3ll6 n THR 187 Ca -0.06 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.60 3ll6 n THR 187 Cb 0.62 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.29 3ll6 n THR 187 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3ll6 s ILE 188 N -2.91 4.41 0.41 1.09 1.01 -1.26 -5.06 121.20 118.89 3ll6 s ILE 188 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 3ll6 s ILE 188 Cb 0.00 -2.98 -0.09 0.00 0.01 0.00 0.00 42.46 39.40 3ll6 s ILE 188 CO 0.00 0.46 0.86 -0.44 0.00 0.00 0.00 174.94 175.82 3ll6 s SER 189 N 0.50 6.76 -1.39 3.58 0.01 -1.26 -4.14 113.70 117.76 3ll6 s SER 189 Ca 0.01 1.45 -0.02 0.00 1.31 0.00 0.00 55.95 58.70 3ll6 s SER 189 Cb -0.13 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3ll6 s SER 189 CO 0.02 -0.35 0.25 1.41 0.41 0.00 0.00 173.24 174.97 3ll6 n HIS 190 N -0.82 -1.22 -2.23 2.43 8.25 -1.26 -4.96 115.22 115.41 3ll6 n HIS 190 Ca 0.05 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.30 3ll6 n HIS 190 Cb 0.54 -3.69 -0.03 0.00 1.12 0.00 0.00 29.99 27.93 3ll6 n HIS 190 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3ll6 s TYR 191 N -2.97 2.92 0.43 4.41 5.04 -1.26 -4.95 117.35 120.98 3ll6 s TYR 191 Ca 0.12 0.86 -0.25 0.00 -2.44 0.00 0.00 57.07 55.37 3ll6 s TYR 191 Cb -0.05 -3.65 -0.08 0.00 0.35 0.00 0.00 41.96 38.53 3ll6 s TYR 191 CO 0.15 -2.36 1.25 -2.14 -1.34 0.00 0.00 175.55 171.11 3ll6 s PRO 192 N 2.23 3.83 0.05 4.97 0.02 -1.26 -4.94 135.00 139.90 3ll6 s PRO 192 Ca 0.63 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3ll6 s PRO 192 Cb -0.32 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.61 3ll6 s PRO 192 CO 0.27 -0.56 0.12 -0.25 -0.33 0.00 0.00 177.00 176.24 3ll6 n ASP 193 N -0.18 0.00 -0.00 2.53 8.00 -1.26 -5.01 116.55 120.63 3ll6 n ASP 193 Ca 0.06 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3ll6 n ASP 193 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3ll6 n ASP 193 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ll6 n THR 218 N -0.45 0.00 -2.59 -3.53 -2.24 -1.26 -5.18 114.28 99.04 3ll6 n THR 218 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 3ll6 n THR 218 Cb 0.12 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 3ll6 n THR 218 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ll6 s PRO 219 N -0.03 4.05 -0.26 -0.78 0.04 -1.26 -5.03 135.00 131.73 3ll6 s PRO 219 Ca 0.00 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 3ll6 s PRO 219 Cb 0.00 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3ll6 s PRO 219 CO 0.00 -0.23 0.59 -1.21 0.04 0.00 0.00 177.00 176.19 3ll6 s GLU 220 N -2.85 4.06 0.23 4.56 2.02 -1.26 -5.04 118.70 120.42 3ll6 s GLU 220 Ca 0.62 0.42 -0.32 0.00 0.02 0.00 0.00 54.97 55.71 3ll6 s GLU 220 Cb -0.18 -3.66 -0.13 0.00 0.10 0.00 0.00 34.13 30.25 3ll6 s GLU 220 CO 0.23 -0.42 1.52 -0.89 0.02 0.00 0.00 175.26 175.72 3ll6 n ILE 221 N 5.21 0.62 -2.39 -1.63 5.41 -1.26 -4.94 119.36 120.38 3ll6 n ILE 221 Ca -0.02 -0.16 -0.42 0.00 1.00 0.00 0.00 62.75 63.15 3ll6 n ILE 221 Cb 0.49 -1.63 -0.03 0.00 -0.71 0.00 0.00 39.64 37.76 3ll6 n ILE 221 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3ll6 s ILE 222 N 0.32 3.94 0.00 1.39 1.01 -1.26 -5.02 121.20 121.59 3ll6 s ILE 222 Ca 0.71 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.75 3ll6 s ILE 222 Cb -0.61 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3ll6 s ILE 222 CO 0.45 0.10 0.00 -0.67 0.00 0.00 0.00 174.94 174.82 3ll6 n ASP 223 N 3.97 0.00 -2.70 3.58 2.03 -1.26 -5.14 116.55 117.03 3ll6 n ASP 223 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 3ll6 n ASP 223 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 3ll6 n ASP 223 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ll6 n TYR 225 N -0.16 0.00 -2.42 -0.67 -0.00 -1.26 -5.02 117.16 107.63 3ll6 n TYR 225 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.51 3ll6 n TYR 225 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.31 3ll6 n TYR 225 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3ll6 s SER 226 N -3.42 6.93 -0.32 9.48 0.15 -1.26 -4.98 113.70 120.27 3ll6 s SER 226 Ca 0.00 2.27 0.16 0.00 0.70 0.00 0.00 55.95 59.08 3ll6 s SER 226 Cb 0.00 -2.62 0.44 0.00 -1.71 0.00 0.00 66.02 62.14 3ll6 s SER 226 CO 0.00 -0.39 1.30 -0.46 1.20 0.00 0.00 173.24 174.90 3ll6 n ASN 227 N 0.59 -0.25 -4.64 5.45 2.04 -1.26 -5.03 115.26 112.16 3ll6 n ASN 227 Ca 0.02 -2.27 -0.35 0.00 -0.44 0.00 0.00 54.58 51.54 3ll6 n ASN 227 Cb 0.46 0.24 -0.10 0.00 -2.53 0.00 0.00 39.78 37.85 3ll6 n ASN 227 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 3ll6 s PHE 228 N -1.47 3.18 0.46 -2.53 0.08 -1.26 -5.10 117.98 111.35 3ll6 s PHE 228 Ca 0.19 0.07 -0.24 0.00 0.12 0.00 0.00 56.93 57.07 3ll6 s PHE 228 Cb 0.40 -1.92 -0.07 0.00 -0.57 0.00 0.00 43.02 40.86 3ll6 s PHE 228 CO -0.07 0.28 1.33 -1.25 -0.10 0.00 0.00 175.22 175.41 3ll6 s PRO 229 N -0.25 3.63 -0.06 0.24 0.04 -1.26 -4.94 135.00 132.41 3ll6 s PRO 229 Ca 0.06 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.38 3ll6 s PRO 229 Cb -0.12 -2.54 0.13 0.00 0.04 0.00 0.00 34.50 32.01 3ll6 s PRO 229 CO 0.02 -0.78 1.07 0.44 0.04 0.00 0.00 177.00 177.79 3ll6 n ILE 230 N -0.37 0.81 0.00 0.56 -5.35 -1.26 -4.94 119.36 108.82 3ll6 n ILE 230 Ca 0.06 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3ll6 n ILE 230 Cb 0.44 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3ll6 n ILE 230 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ll6 n GLY 231 N -0.60 0.50 0.36 3.28 0.00 -1.26 -4.99 105.19 102.47 3ll6 n GLY 231 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3ll6 n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ll6 h GLU 232 N 0.00 0.78 0.00 1.61 3.07 -1.96 -2.47 114.58 115.61 3ll6 h GLU 232 Ca 0.00 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3ll6 h GLU 232 Cb 0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3ll6 h GLU 232 CO 0.00 0.52 -0.34 0.87 -1.40 0.00 0.00 179.01 178.65 3ll6 h LYS 233 N 0.80 0.00 -0.14 2.33 1.79 -1.93 -0.94 116.57 118.48 3ll6 h LYS 233 Ca 0.34 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.65 3ll6 h LYS 233 Cb 0.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3ll6 h LYS 233 CO -0.12 0.34 -0.60 0.37 -1.08 0.00 0.00 179.45 178.36 3ll6 h GLN 234 N 0.00 0.48 -0.78 3.15 5.75 -1.84 -2.13 115.11 119.74 3ll6 h GLN 234 Ca -0.00 -0.33 -0.04 0.00 -0.15 0.00 0.00 58.65 58.13 3ll6 h GLN 234 Cb 0.80 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 3ll6 h GLN 234 CO 0.04 0.94 0.34 -0.44 -2.65 0.00 0.00 178.83 177.06 3ll6 h ASP 235 N 0.36 1.05 -0.60 -0.69 3.32 -1.24 -1.76 116.42 116.87 3ll6 h ASP 235 Ca -0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3ll6 h ASP 235 Cb 1.15 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3ll6 h ASP 235 CO 0.11 0.92 0.22 0.40 -1.72 0.00 0.00 179.24 179.16 3ll6 h ILE 236 N 1.13 1.23 -0.42 0.35 1.08 -0.96 -1.26 117.51 118.66 3ll6 h ILE 236 Ca 0.27 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 3ll6 h ILE 236 Cb 0.17 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 3ll6 h ILE 236 CO -0.03 0.29 0.21 -0.25 -0.69 0.00 0.00 178.15 177.68 3ll6 h TRP 237 N 0.84 0.39 -0.85 1.37 2.91 -1.22 -0.85 115.95 118.53 3ll6 h TRP 237 Ca 0.20 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 3ll6 h TRP 237 Cb 0.23 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.73 3ll6 h TRP 237 CO 0.01 0.20 0.42 0.00 -1.03 0.00 0.00 178.44 178.04 3ll6 h ALA 238 N 1.22 1.13 -0.67 2.65 0.00 -1.03 -1.04 119.26 121.53 3ll6 h ALA 238 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ll6 h ALA 238 Cb 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3ll6 h ALA 238 CO -0.13 0.66 0.15 -0.07 0.00 0.00 0.00 179.25 179.87 3ll6 h LEU 239 N 1.21 1.02 -1.01 0.00 3.38 -0.90 -2.35 115.31 116.66 3ll6 h LEU 239 Ca 0.29 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3ll6 h LEU 239 Cb 0.10 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 3ll6 h LEU 239 CO -0.04 1.00 0.64 1.23 0.09 0.00 0.00 178.44 181.36 3ll6 h GLY 240 N 1.00 1.60 1.23 0.83 0.00 -0.51 -0.67 103.07 106.55 3ll6 h GLY 240 Ca 0.21 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3ll6 h GLY 240 CO 0.00 0.23 0.06 0.00 0.00 0.00 0.00 176.54 176.84 3ll6 h ILE 242 N 0.88 1.17 -0.22 0.00 2.04 -0.83 -1.33 117.51 119.22 3ll6 h ILE 242 Ca 0.17 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3ll6 h ILE 242 Cb 0.43 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3ll6 h ILE 242 CO 0.01 0.18 0.12 0.25 0.00 0.00 0.00 178.15 178.71 3ll6 h LEU 243 N 0.62 0.27 -0.27 1.44 5.85 -0.89 0.65 115.31 122.97 3ll6 h LEU 243 Ca 0.17 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3ll6 h LEU 243 Cb 0.07 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3ll6 h LEU 243 CO -0.03 0.29 -0.03 0.22 -0.34 0.00 0.00 178.44 178.55 3ll6 h TYR 244 N 0.24 -0.07 -0.62 1.25 3.20 -1.12 -1.89 116.97 117.95 3ll6 h TYR 244 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3ll6 h TYR 244 Cb 0.08 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3ll6 h TYR 244 CO -0.03 -0.08 0.18 1.25 -1.64 0.00 0.00 178.16 177.84 3ll6 h LEU 245 N 0.04 0.91 -0.87 2.82 5.85 -0.85 -0.54 115.31 122.68 3ll6 h LEU 245 Ca 0.13 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3ll6 h LEU 245 Cb 0.19 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3ll6 h LEU 245 CO -0.25 0.89 0.55 -0.07 -0.34 0.00 0.00 178.44 179.22 3ll6 h LEU 246 N 0.89 0.88 0.15 2.25 3.38 -0.49 0.18 115.31 122.57 3ll6 h LEU 246 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3ll6 h LEU 246 Cb 0.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ll6 h LEU 246 CO -0.00 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.03 3ll6 n PHE 248 N -4.91 0.00 -1.90 0.00 3.72 -0.23 -4.87 117.46 109.27 3ll6 n PHE 248 Ca -0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 3ll6 n PHE 248 Cb 0.26 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 3ll6 n PHE 248 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ll6 n ARG 249 N -2.00 -1.06 -3.99 -1.08 1.74 0.64 -4.95 116.66 105.95 3ll6 n ARG 249 Ca -0.02 0.82 -0.09 0.00 -0.77 0.00 0.00 57.85 57.80 3ll6 n ARG 249 Cb 0.47 -5.02 -0.10 0.00 -1.02 0.00 0.00 32.46 26.78 3ll6 n ARG 249 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3ll6 s GLN 250 N -4.05 0.50 0.23 5.56 -2.07 -1.26 -5.07 119.66 113.50 3ll6 s GLN 250 Ca 0.00 -0.85 -0.30 0.00 -1.82 0.00 0.00 55.36 52.40 3ll6 s GLN 250 Cb 0.00 0.18 -0.09 0.00 -1.09 0.00 0.00 33.01 32.02 3ll6 s GLN 250 CO 0.00 -0.10 0.93 -1.01 -1.32 0.00 0.00 175.29 173.79 3ll6 s HIS 251 N -2.62 3.97 -0.11 9.60 3.76 -1.26 -4.17 115.29 124.46 3ll6 s HIS 251 Ca -0.05 1.90 0.15 0.00 -0.15 0.00 0.00 55.06 56.90 3ll6 s HIS 251 Cb -0.01 -2.97 0.10 0.00 1.11 0.00 0.00 32.58 30.80 3ll6 s HIS 251 CO -0.05 0.44 1.46 -1.00 -0.85 0.00 0.00 174.74 174.74 3ll6 h PRO 252 N 4.26 0.00 -2.27 8.40 0.13 -1.95 -3.39 132.00 137.18 3ll6 h PRO 252 Ca -0.45 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.96 3ll6 h PRO 252 Cb 1.20 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 3ll6 h PRO 252 CO 0.68 0.53 0.36 1.19 -0.23 0.00 0.00 178.00 180.53 3ll6 n PHE 253 N -3.26 3.28 -0.25 1.56 3.01 -1.26 -4.69 117.46 115.86 3ll6 n PHE 253 Ca 0.02 -3.14 -0.07 0.00 1.01 0.00 0.00 57.45 55.26 3ll6 n PHE 253 Cb 0.73 -0.92 0.04 0.00 -0.01 0.00 0.00 39.48 39.33 3ll6 n PHE 253 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3ll6 h GLU 254 N 3.74 1.08 -2.27 -1.08 3.07 -2.03 -3.57 114.58 113.53 3ll6 h GLU 254 Ca 0.37 -0.25 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 3ll6 h GLU 254 Cb 0.40 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3ll6 h GLU 254 CO 1.04 0.95 -0.30 -1.13 -1.40 0.00 0.00 179.01 178.17 3ll6 n SER 267 N -4.29 -2.35 -4.73 1.42 3.41 -1.26 -5.27 113.62 100.55 3ll6 n SER 267 Ca 0.05 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 3ll6 n SER 267 Cb 0.24 -2.53 -0.02 0.00 -0.26 0.00 0.00 64.21 61.65 3ll6 n SER 267 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ll6 n ILE 268 N -2.55 1.12 -1.68 -1.33 5.41 -1.26 -4.86 119.36 114.22 3ll6 n ILE 268 Ca -0.01 -0.28 -0.48 0.00 1.00 0.00 0.00 62.75 62.99 3ll6 n ILE 268 Cb 0.16 -1.84 -0.05 0.00 -0.71 0.00 0.00 39.64 37.20 3ll6 n ILE 268 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3ll6 n PRO 269 N 1.93 2.18 0.04 0.38 -0.02 -1.26 -4.84 135.00 133.42 3ll6 n PRO 269 Ca 0.08 0.79 0.21 0.00 -2.02 0.00 0.00 63.50 62.57 3ll6 n PRO 269 Cb 0.36 -2.62 0.73 0.00 -0.02 0.00 0.00 33.50 31.95 3ll6 n PRO 269 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ll6 h PRO 270 N 8.28 0.00 -0.69 0.52 0.13 -2.09 -1.98 132.00 136.17 3ll6 h PRO 270 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ll6 h PRO 270 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3ll6 h PRO 270 CO 0.93 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.42 3ll6 n HIS 271 N -4.00 1.19 -2.31 1.56 8.25 -1.26 -4.93 115.22 113.72 3ll6 n HIS 271 Ca 0.09 -0.55 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 3ll6 n HIS 271 Cb 0.62 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3ll6 n HIS 271 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ll6 s ASP 272 N -0.97 6.93 0.00 0.41 2.15 -0.75 -4.86 116.67 119.58 3ll6 s ASP 272 Ca 0.50 2.00 0.00 0.00 0.43 0.00 0.00 52.55 55.48 3ll6 s ASP 272 Cb 0.29 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3ll6 s ASP 272 CO 0.29 -0.66 0.56 0.35 -0.17 0.00 0.00 175.17 175.54 3ll6 n THR 273 N 4.63 0.21 0.03 1.71 -2.24 -1.26 -4.77 114.28 112.59 3ll6 n THR 273 Ca 0.12 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 3ll6 n THR 273 Cb 0.45 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 3ll6 n THR 273 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ll6 h GLN 274 N 0.00 0.06 -0.06 -0.78 4.15 -2.01 -3.39 115.11 113.07 3ll6 h GLN 274 Ca 0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 3ll6 h GLN 274 Cb 0.18 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 3ll6 h GLN 274 CO 0.00 0.85 -0.03 0.66 -1.93 0.00 0.00 178.83 178.37 3ll6 n TYR 275 N -3.27 0.23 -0.32 3.99 4.01 -1.26 -4.70 117.16 115.85 3ll6 n TYR 275 Ca -0.10 -1.02 0.29 0.00 -0.16 0.00 0.00 57.90 56.91 3ll6 n TYR 275 Cb 1.00 -0.20 0.63 0.00 -0.31 0.00 0.00 39.34 40.46 3ll6 n TYR 275 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ll6 h THR 276 N 0.47 0.46 -0.12 -0.72 2.02 -1.86 0.15 112.91 113.32 3ll6 h THR 276 Ca 0.01 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3ll6 h THR 276 Cb 1.11 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ll6 h THR 276 CO 0.06 0.04 0.10 1.62 0.37 0.00 0.00 175.52 177.70 3ll6 h VAL 277 N 0.19 0.75 -0.01 3.16 3.04 -1.94 -1.42 116.25 120.03 3ll6 h VAL 277 Ca 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.27 3ll6 h VAL 277 Cb 1.87 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 3ll6 h VAL 277 CO -0.16 0.00 -0.50 0.49 -1.01 0.00 0.00 177.57 176.39 3ll6 n PHE 278 N -4.22 0.00 -0.07 3.17 3.72 0.53 -4.60 117.46 116.00 3ll6 n PHE 278 Ca -0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3ll6 n PHE 278 Cb 0.21 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3ll6 n PHE 278 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ll6 h HIS 279 N 2.12 0.06 -0.18 1.38 3.86 -1.22 -0.65 115.15 120.52 3ll6 h HIS 279 Ca 0.00 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 3ll6 h HIS 279 Cb 0.71 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 3ll6 h HIS 279 CO 0.00 -0.00 -0.38 0.66 0.86 0.00 0.00 177.93 179.07 3ll6 h SER 280 N 0.13 0.41 -0.36 2.45 4.64 -1.81 -1.54 113.55 117.48 3ll6 h SER 280 Ca 0.13 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3ll6 h SER 280 Cb 0.15 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3ll6 h SER 280 CO -0.19 0.75 -0.00 0.25 -0.87 0.00 0.00 176.83 176.77 3ll6 h LEU 281 N 0.33 0.62 -0.47 5.97 5.85 -1.76 0.31 115.31 126.16 3ll6 h LEU 281 Ca 0.03 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.52 3ll6 h LEU 281 Cb 0.82 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3ll6 h LEU 281 CO 0.07 0.78 0.11 0.40 -0.34 0.00 0.00 178.44 179.45 3ll6 h ILE 282 N 0.44 0.77 -0.31 4.05 2.04 -0.87 -0.37 117.51 123.25 3ll6 h ILE 282 Ca 0.10 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 3ll6 h ILE 282 Cb 0.46 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ll6 h ILE 282 CO 0.02 0.05 -0.24 0.03 0.00 0.00 0.00 178.15 178.00 3ll6 h ARG 283 N 0.25 0.61 0.00 2.37 3.08 -1.01 -1.76 114.38 117.92 3ll6 h ARG 283 Ca 0.23 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3ll6 h ARG 283 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3ll6 h ARG 283 CO -0.29 0.80 -0.51 0.00 -1.07 0.00 0.00 179.97 178.90 3ll6 h ALA 284 N 1.20 0.83 0.00 0.04 0.00 -0.44 -3.14 119.26 117.76 3ll6 h ALA 284 Ca 0.08 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 3ll6 h ALA 284 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3ll6 h ALA 284 CO 0.05 0.64 -1.32 0.52 0.00 0.00 0.00 179.25 179.15 3ll6 h MET 285 N 0.00 0.00 -0.84 0.00 2.86 -0.80 -3.21 114.93 112.95 3ll6 h MET 285 Ca -0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 3ll6 h MET 285 Cb 1.15 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.68 3ll6 h MET 285 CO 0.07 0.75 0.29 1.28 1.06 0.00 0.00 176.91 180.35 3ll6 n LEU 286 N -3.20 5.54 -4.74 1.22 4.77 -0.69 -3.94 117.00 115.97 3ll6 n LEU 286 Ca -0.08 -2.89 -0.42 0.00 -0.03 0.00 0.00 56.01 52.59 3ll6 n LEU 286 Cb 0.98 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3ll6 n LEU 286 CO 0.46 0.77 1.21 0.00 -1.33 0.00 0.00 177.39 178.50 3ll6 n GLN 287 N -0.21 2.63 -0.09 3.23 1.13 -1.19 -4.90 117.38 117.99 3ll6 n GLN 287 Ca 0.37 0.93 -0.07 0.00 -1.94 0.00 0.00 57.00 56.30 3ll6 n GLN 287 Cb 1.27 -2.70 0.11 0.00 0.11 0.00 0.00 30.24 29.03 3ll6 n GLN 287 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3ll6 h VAL 288 N 3.29 1.26 -3.30 5.09 2.07 -1.92 -3.41 116.25 119.33 3ll6 h VAL 288 Ca -0.47 -1.24 -0.59 0.00 0.82 0.00 0.00 66.70 65.22 3ll6 h VAL 288 Cb 1.23 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 32.05 3ll6 h VAL 288 CO 0.78 0.42 0.43 0.21 0.02 0.00 0.00 177.57 179.43 3ll6 s ASN 289 N -6.73 6.85 0.40 0.57 3.84 -1.26 -4.96 114.94 113.66 3ll6 s ASN 289 Ca -0.09 1.06 0.09 0.00 0.21 0.00 0.00 52.86 54.13 3ll6 s ASN 289 Cb 0.13 -2.44 0.85 0.00 -0.55 0.00 0.00 41.25 39.25 3ll6 s ASN 289 CO 0.83 -0.47 1.97 -0.65 -2.79 0.00 0.00 177.10 175.98 3ll6 h PRO 290 N 7.58 0.29 0.00 0.43 0.11 -1.97 -0.51 132.00 137.94 3ll6 h PRO 290 Ca -0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3ll6 h PRO 290 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ll6 h PRO 290 CO 0.86 0.34 -0.14 0.93 -0.21 0.00 0.00 178.00 179.78 3ll6 h GLU 291 N 0.28 0.00 -0.02 1.05 5.08 -1.94 -2.25 114.58 116.79 3ll6 h GLU 291 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ll6 h GLU 291 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3ll6 h GLU 291 CO 0.01 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 3ll6 n GLU 292 N -3.99 1.61 -2.69 2.33 1.02 -0.20 -4.90 120.64 113.82 3ll6 n GLU 292 Ca -0.02 -0.89 -0.34 0.00 -0.02 0.00 0.00 57.16 55.89 3ll6 n GLU 292 Cb 0.22 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 3ll6 n GLU 292 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ll6 s ARG 293 N -1.99 4.07 0.77 3.49 0.52 -0.85 -4.92 118.95 120.03 3ll6 s ARG 293 Ca 0.39 1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 56.70 3ll6 s ARG 293 Cb 0.21 -2.19 0.06 0.00 0.52 0.00 0.00 34.95 33.55 3ll6 s ARG 293 CO 0.34 -0.19 1.21 -0.51 0.02 0.00 0.00 175.30 176.18 3ll6 s LEU 294 N -3.23 3.24 0.71 2.53 1.43 -1.21 -5.03 118.68 117.12 3ll6 s LEU 294 Ca 0.63 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 56.01 3ll6 s LEU 294 Cb -0.13 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.52 3ll6 s LEU 294 CO 0.17 -2.47 1.08 -0.94 0.23 0.00 0.00 176.35 174.43 3ll6 s SER 295 N -2.05 5.38 0.50 2.29 1.04 -1.26 -4.92 113.70 114.68 3ll6 s SER 295 Ca 0.74 1.24 0.19 0.00 0.48 0.00 0.00 55.95 58.61 3ll6 s SER 295 Cb -0.30 -2.07 1.27 0.00 0.10 0.00 0.00 66.02 65.02 3ll6 s SER 295 CO 0.48 -1.40 2.09 -0.29 0.98 0.00 0.00 173.24 175.10 3ll6 h ILE 296 N -0.69 0.92 -0.42 -1.02 6.09 -1.96 -1.71 117.51 118.72 3ll6 h ILE 296 Ca -0.45 -0.35 -0.10 0.00 -1.37 0.00 0.00 64.86 62.59 3ll6 h ILE 296 Cb 1.24 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.72 3ll6 h ILE 296 CO 0.62 0.10 -0.12 0.00 -3.07 0.00 0.00 178.15 175.67 3ll6 h ALA 297 N 1.90 0.58 -0.31 0.18 0.00 -1.97 0.10 119.26 119.74 3ll6 h ALA 297 Ca -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3ll6 h ALA 297 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ll6 h ALA 297 CO 0.01 0.48 -0.41 0.93 0.00 0.00 0.00 179.25 180.27 3ll6 h GLU 298 N 0.65 0.77 0.16 0.00 5.08 -1.81 -1.55 114.58 117.88 3ll6 h GLU 298 Ca 0.10 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3ll6 h GLU 298 Cb 0.66 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3ll6 h GLU 298 CO 0.05 1.03 -0.17 0.28 -1.00 0.00 0.00 179.01 179.19 3ll6 h VAL 299 N 0.63 0.61 -0.81 3.13 2.07 -0.99 -1.36 116.25 119.53 3ll6 h VAL 299 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ll6 h VAL 299 Cb 0.96 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3ll6 h VAL 299 CO 0.09 0.00 0.39 0.58 0.02 0.00 0.00 177.57 178.65 3ll6 h VAL 300 N -0.37 1.25 -0.59 2.57 2.07 -0.95 -0.52 116.25 119.71 3ll6 h VAL 300 Ca 0.01 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3ll6 h VAL 300 Cb 0.36 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3ll6 h VAL 300 CO -0.05 0.30 0.26 -0.74 0.02 0.00 0.00 177.57 177.35 3ll6 h HIS 301 N 1.15 0.87 -0.28 1.57 6.17 -1.15 0.55 115.15 124.02 3ll6 h HIS 301 Ca 0.28 -0.05 -0.12 0.00 0.71 0.00 0.00 60.37 61.19 3ll6 h HIS 301 Cb 0.11 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 3ll6 h HIS 301 CO 0.01 0.68 -0.31 1.96 0.71 0.00 0.00 177.93 180.99 3ll6 h GLN 302 N 0.80 0.59 -0.17 5.26 4.20 -0.69 -1.19 115.11 123.91 3ll6 h GLN 302 Ca 0.20 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3ll6 h GLN 302 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3ll6 h GLN 302 CO -0.02 0.83 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.55 3ll6 h LEU 303 N 0.51 0.37 -0.22 1.46 3.38 -0.74 -1.50 115.31 118.57 3ll6 h LEU 303 Ca 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3ll6 h LEU 303 Cb 0.78 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3ll6 h LEU 303 CO 0.06 0.70 0.01 1.56 0.09 0.00 0.00 178.44 180.86 3ll6 h GLN 304 N 0.31 0.39 -0.57 1.13 4.20 -0.42 0.22 115.11 120.36 3ll6 h GLN 304 Ca 0.04 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.68 3ll6 h GLN 304 Cb 0.76 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 3ll6 h GLN 304 CO 0.06 0.56 0.30 0.93 -0.67 0.00 0.00 178.83 180.01 3ll6 h GLU 305 N 0.16 0.55 -0.05 1.46 5.08 -1.12 -0.18 114.58 120.48 3ll6 h GLU 305 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3ll6 h GLU 305 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ll6 h GLU 305 CO 0.01 0.36 0.01 0.82 -1.00 0.00 0.00 179.01 179.21 3ll6 h ILE 306 N 0.56 0.98 -0.50 3.13 2.04 -1.09 -0.83 117.51 121.81 3ll6 h ILE 306 Ca 0.26 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.17 3ll6 h ILE 306 Cb 0.17 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3ll6 h ILE 306 CO -0.18 0.01 0.19 0.00 0.00 0.00 0.00 178.15 178.17 3ll6 h ALA 307 N 1.04 0.61 -0.27 1.87 0.00 -0.73 -0.08 119.26 121.70 3ll6 h ALA 307 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3ll6 h ALA 307 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ll6 h ALA 307 CO -0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 179.25 178.92 3ll6 h ALA 308 N 1.32 1.33 0.00 0.00 0.00 -0.82 -1.18 119.26 119.92 3ll6 h ALA 308 Ca 0.24 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ll6 h ALA 308 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ll6 h ALA 308 CO -0.23 0.45 -0.33 0.00 0.00 0.00 0.00 179.25 179.14 3ll6 h ALA 309 N 1.48 0.89 -0.72 0.00 0.00 -0.35 -3.15 119.26 117.41 3ll6 h ALA 309 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ll6 h ALA 309 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ll6 h ALA 309 CO 0.02 0.41 0.00 0.54 0.00 0.00 0.00 179.25 180.22 3ll6 n ARG 310 N -3.32 2.74 -3.62 0.00 1.74 -0.12 -4.97 116.66 109.11 3ll6 n ARG 310 Ca 0.01 -2.64 -0.24 0.00 -0.77 0.00 0.00 57.85 54.21 3ll6 n ARG 310 Cb 0.56 -1.56 0.07 0.00 -1.02 0.00 0.00 32.46 30.52 3ll6 n ARG 310 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3ll6 n ASN 311 N 1.61 -5.53 -4.18 0.55 5.15 -0.87 -5.01 115.26 106.98 3ll6 n ASN 311 Ca 0.24 -0.59 -0.30 0.00 -0.60 0.00 0.00 54.58 53.34 3ll6 n ASN 311 Cb 0.62 -4.88 -0.17 0.00 -0.53 0.00 0.00 39.78 34.82 3ll6 n ASN 311 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ll6 s VAL 312 N -3.33 1.78 -0.50 3.44 1.01 -0.51 -5.04 120.40 117.25 3ll6 s VAL 312 Ca 0.51 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 3ll6 s VAL 312 Cb -0.23 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.65 3ll6 s VAL 312 CO 0.75 0.50 0.80 0.21 0.00 0.00 0.00 175.10 177.36 3ll6 s ASN 313 N 0.27 6.33 0.00 3.32 3.84 -1.26 -4.23 114.94 123.22 3ll6 s ASN 313 Ca -0.13 -0.40 0.28 0.00 0.21 0.00 0.00 52.86 52.82 3ll6 s ASN 313 Cb -0.16 -2.38 1.35 0.00 -0.55 0.00 0.00 41.25 39.52 3ll6 s ASN 313 CO 0.06 -1.02 1.95 -0.81 -2.79 0.00 0.00 177.10 174.48 3ll6 n PRO 314 N 6.86 0.29 0.01 0.43 -0.04 -1.26 -2.05 135.00 139.24 3ll6 n PRO 314 Ca -0.00 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 3ll6 n PRO 314 Cb 0.47 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.85 3ll6 n PRO 314 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ll6 n LYS 315 N -1.35 0.04 -1.68 0.54 5.02 -1.26 -4.59 118.16 114.89 3ll6 n LYS 315 Ca 0.11 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 3ll6 n LYS 315 Cb 0.25 -1.54 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3ll6 n LYS 315 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ll6 s SER 316 N -3.20 4.69 0.45 4.39 1.04 -0.87 -4.97 113.70 115.23 3ll6 s SER 316 Ca 0.12 1.18 -0.25 0.00 0.48 0.00 0.00 55.95 57.49 3ll6 s SER 316 Cb 0.17 -1.90 -0.09 0.00 0.10 0.00 0.00 66.02 64.30 3ll6 s SER 316 CO 0.62 -1.83 1.28 -2.65 0.98 0.00 0.00 173.24 171.64 3ll6 n PRO 317 N -3.33 1.87 -3.01 4.02 -0.02 -1.26 -4.88 135.00 128.39 3ll6 n PRO 317 Ca 0.07 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.78 3ll6 n PRO 317 Cb 0.57 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3ll6 n PRO 317 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ll6 s ILE 318 N -1.23 5.11 0.37 4.25 1.01 0.72 -4.85 121.20 126.58 3ll6 s ILE 318 Ca 0.63 -2.48 0.12 0.00 0.00 0.00 0.00 60.65 58.92 3ll6 s ILE 318 Cb -0.49 -4.82 0.09 0.00 0.01 0.00 0.00 42.46 37.26 3ll6 s ILE 318 CO 0.56 -1.51 1.83 0.71 0.00 0.00 0.00 174.94 176.53 3ll6 h THR 319 N 4.82 1.26 0.00 2.92 1.35 -1.90 -2.40 112.91 118.96 3ll6 h THR 319 Ca 0.25 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3ll6 h THR 319 Cb 0.92 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3ll6 h THR 319 CO 1.16 0.36 0.04 1.21 -0.25 0.00 0.00 175.52 178.03 3ll6 n GLU 320 N -4.11 0.04 -0.07 4.72 2.13 -1.26 -2.60 120.64 119.49 3ll6 n GLU 320 Ca -0.02 0.52 -0.09 0.00 0.66 0.00 0.00 57.16 58.24 3ll6 n GLU 320 Cb 0.40 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.36 3ll6 n GLU 320 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ll6 n LEU 321 N -1.71 2.25 0.29 4.31 4.77 -0.93 -4.57 117.00 121.41 3ll6 n LEU 321 Ca -0.00 -0.06 0.17 0.00 -0.03 0.00 0.00 56.01 56.08 3ll6 n LEU 321 Cb 0.05 -0.30 0.90 0.00 -2.33 0.00 0.00 43.42 41.73 3ll6 n LEU 321 CO 0.03 0.62 1.07 -0.07 -1.33 0.00 0.00 177.39 177.71 3ll6 h LEU 322 N 0.00 0.00 -2.25 2.23 3.38 -1.30 -2.36 115.31 115.01 3ll6 h LEU 322 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3ll6 h LEU 322 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3ll6 h LEU 322 CO -0.03 0.05 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 3ll6 h GLU 323 N 0.00 0.00 -6.05 1.13 5.08 -1.74 -3.45 114.58 109.54 3ll6 h GLU 323 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3ll6 h GLU 323 Cb 0.20 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 3ll6 h GLU 323 CO 0.01 0.00 -0.54 -0.65 -1.00 0.00 0.00 179.01 176.82 3ll6 s GLN 324 N -3.87 2.30 0.37 2.33 -1.52 -0.89 -5.16 119.66 113.21 3ll6 s GLN 324 Ca -0.03 -1.63 -0.16 0.00 -1.95 0.00 0.00 55.36 51.59 3ll6 s GLN 324 Cb 0.10 -2.10 -0.09 0.00 -0.22 0.00 0.00 33.01 30.70 3ll6 s GLN 324 CO 0.34 0.08 0.80 -0.80 -0.25 0.00 0.00 175.29 175.46 3ll6 s ASN 325 N -3.83 6.78 0.00 5.90 -0.87 -1.26 -5.05 114.94 116.60 3ll6 s ASN 325 Ca 0.38 1.37 0.00 0.00 -1.57 0.00 0.00 52.86 53.04 3ll6 s ASN 325 Cb -0.01 -2.41 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 3ll6 s ASN 325 CO 0.22 -0.28 0.00 0.61 -2.57 0.00 0.00 177.10 175.08