#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r56 s VAL 3 N 0.00 3.95 0.06 0.00 1.01 -1.26 -4.89 120.40 119.27 1r56 s VAL 3 Ca 0.00 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 1r56 s VAL 3 Cb 0.00 -4.33 -0.26 0.00 0.00 0.00 0.00 36.38 31.79 1r56 s VAL 3 CO 0.00 -0.87 1.08 0.11 0.00 0.00 0.00 175.10 175.42 1r56 h LYS 4 N 10.45 0.18 -2.68 2.72 1.79 -2.07 -3.47 116.57 123.48 1r56 h LYS 4 Ca -0.26 -0.31 -0.07 0.00 -2.18 0.00 0.00 60.65 57.83 1r56 h LYS 4 Cb 1.09 0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 31.68 1r56 h LYS 4 CO 1.11 1.09 -0.01 0.00 -1.08 0.00 0.00 179.45 180.56 1r56 s ALA 5 N -2.66 -1.27 -0.26 3.86 0.00 -1.26 -5.18 121.76 114.99 1r56 s ALA 5 Ca -0.04 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 1r56 s ALA 5 Cb 0.08 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.49 1r56 s ALA 5 CO 0.86 -0.42 0.67 0.00 0.00 0.00 0.00 175.76 176.87 1r56 s ALA 6 N -1.94 -1.70 -0.04 0.00 0.00 -1.26 -5.17 121.76 111.66 1r56 s ALA 6 Ca -0.08 2.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.80 1r56 s ALA 6 Cb -0.01 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1r56 s ALA 6 CO 0.02 -0.33 0.21 1.03 0.00 0.00 0.00 175.76 176.69 1r56 s ARG 7 N 0.65 0.44 0.17 0.00 0.52 -1.26 -4.56 118.95 114.91 1r56 s ARG 7 Ca -0.02 -0.08 -0.18 0.00 -0.52 0.00 0.00 55.73 54.94 1r56 s ARG 7 Cb -0.05 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.65 1r56 s ARG 7 CO -0.04 -0.10 0.49 1.52 0.02 0.00 0.00 175.30 177.19 1r56 s TYR 8 N -0.78 -0.19 -3.75 -0.53 1.13 -0.91 -4.89 117.35 107.43 1r56 s TYR 8 Ca -0.09 -0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 1r56 s TYR 8 Cb -0.05 0.36 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 1r56 s TYR 8 CO 0.02 -0.83 0.00 0.41 -2.51 0.00 0.00 175.55 172.64 1r56 n GLY 9 N -0.30 -0.56 3.12 5.49 0.00 -1.26 0.82 105.19 112.49 1r56 n GLY 9 Ca -0.13 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1r56 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r56 s LYS 10 N -1.50 2.50 0.27 1.61 2.47 -0.60 -4.88 119.74 119.61 1r56 s LYS 10 Ca 0.00 -0.68 0.08 0.00 -1.56 0.00 0.00 55.97 53.81 1r56 s LYS 10 Cb 0.00 -2.00 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 1r56 s LYS 10 CO 0.00 0.05 0.11 0.34 0.16 0.00 0.00 175.35 176.01 1r56 s ASP 11 N 0.66 5.01 -1.45 1.43 2.15 -1.26 -1.63 116.67 121.57 1r56 s ASP 11 Ca -0.13 -0.48 -0.10 0.00 0.43 0.00 0.00 52.55 52.28 1r56 s ASP 11 Cb -0.16 -1.09 0.04 0.00 -0.30 0.00 0.00 42.92 41.41 1r56 s ASP 11 CO 0.03 -0.05 0.95 0.59 -0.17 0.00 0.00 175.17 176.52 1r56 n ASN 12 N -1.06 -5.67 -4.55 -0.34 3.02 -1.14 -4.92 115.26 100.60 1r56 n ASN 12 Ca -0.07 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.51 1r56 n ASN 12 Cb 0.59 -4.51 -0.05 0.00 -0.61 0.00 0.00 39.78 35.20 1r56 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r56 s VAL 13 N -3.25 4.58 0.12 2.41 1.01 -0.56 -4.87 120.40 119.83 1r56 s VAL 13 Ca 0.54 0.59 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 1r56 s VAL 13 Cb -0.25 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 1r56 s VAL 13 CO 0.67 -0.74 0.66 -0.13 0.00 0.00 0.00 175.10 175.56 1r56 s ARG 14 N 3.46 4.36 -0.02 2.72 0.52 -1.26 -0.33 118.95 128.40 1r56 s ARG 14 Ca 0.33 0.92 -0.00 0.00 -0.52 0.00 0.00 55.73 56.45 1r56 s ARG 14 Cb -0.11 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.14 1r56 s ARG 14 CO 0.24 0.61 0.03 0.08 0.02 0.00 0.00 175.30 176.27 1r56 s VAL 15 N -1.14 -0.04 -0.01 3.52 1.01 0.18 -4.99 120.40 118.93 1r56 s VAL 15 Ca 0.32 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1r56 s VAL 15 Cb -0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1r56 s VAL 15 CO 0.22 0.05 -0.20 -0.47 0.00 0.00 0.00 175.10 174.71 1r56 s TYR 16 N 0.67 1.75 -0.02 5.22 6.14 -1.26 -1.27 117.35 128.58 1r56 s TYR 16 Ca -0.06 -0.33 -0.01 0.00 0.64 0.00 0.00 57.07 57.32 1r56 s TYR 16 Cb -0.08 -1.12 0.02 0.00 0.42 0.00 0.00 41.96 41.20 1r56 s TYR 16 CO -0.02 -0.03 0.03 0.21 0.64 0.00 0.00 175.55 176.39 1r56 s LYS 17 N -0.48 -0.00 0.01 4.97 2.20 0.40 -4.99 119.74 121.86 1r56 s LYS 17 Ca 0.07 0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.85 1r56 s LYS 17 Cb -0.08 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1r56 s LYS 17 CO -0.01 -0.10 -0.04 0.54 -0.36 0.00 0.00 175.35 175.38 1r56 s VAL 18 N 0.64 3.84 -0.14 4.02 0.11 -1.26 -0.31 120.40 127.30 1r56 s VAL 18 Ca -0.05 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1r56 s VAL 18 Cb -0.07 -2.70 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1r56 s VAL 18 CO -0.02 0.36 -0.15 -2.28 -3.33 0.00 0.00 175.10 169.67 1r56 s HIS 19 N -1.06 2.77 -0.19 1.54 2.46 0.13 -4.96 115.29 115.98 1r56 s HIS 19 Ca 0.19 -0.90 -0.00 0.00 0.47 0.00 0.00 55.06 54.81 1r56 s HIS 19 Cb -0.11 -1.85 0.01 0.00 -0.13 0.00 0.00 32.58 30.49 1r56 s HIS 19 CO 0.09 -0.38 -0.15 0.15 -2.47 0.00 0.00 174.74 171.98 1r56 s LYS 20 N 0.61 3.12 -0.44 2.88 1.02 -1.26 -0.75 119.74 124.91 1r56 s LYS 20 Ca -0.09 -0.76 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 1r56 s LYS 20 Cb -0.16 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1r56 s LYS 20 CO 0.03 -0.18 0.72 0.34 -0.92 0.00 0.00 175.35 175.34 1r56 s ASP 21 N 1.28 6.37 0.42 2.83 3.68 0.28 -4.95 116.67 126.58 1r56 s ASP 21 Ca 0.04 -0.22 0.19 0.00 2.13 0.00 0.00 52.55 54.69 1r56 s ASP 21 Cb -0.14 -2.35 0.94 0.00 -1.45 0.00 0.00 42.92 39.92 1r56 s ASP 21 CO -0.09 -0.85 1.88 -0.33 0.13 0.00 0.00 175.17 175.92 1r56 h GLU 22 N 8.92 0.00 0.00 4.34 5.08 -1.95 0.24 114.58 131.22 1r56 h GLU 22 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1r56 h GLU 22 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1r56 h GLU 22 CO 0.93 0.29 0.00 1.63 -1.00 0.00 0.00 179.01 180.86 1r56 n LYS 23 N -3.82 0.00 -0.34 2.33 5.02 -1.26 -4.04 118.16 116.04 1r56 n LYS 23 Ca -0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.38 1r56 n LYS 23 Cb 0.38 -0.67 0.28 0.00 -0.02 0.00 0.00 35.03 35.00 1r56 n LYS 23 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1r56 h THR 24 N 0.00 0.75 0.00 -0.18 1.35 -2.01 -3.45 112.91 109.37 1r56 h THR 24 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1r56 h THR 24 Cb 0.00 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.32 1r56 h THR 24 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1r56 n GLY 25 N -1.33 0.71 3.72 5.82 0.00 0.84 -5.05 105.19 109.91 1r56 n GLY 25 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1r56 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r56 s VAL 26 N -2.32 4.36 -0.00 1.61 1.01 -1.23 -4.80 120.40 119.03 1r56 s VAL 26 Ca 0.00 1.77 0.04 0.00 0.00 0.00 0.00 61.98 63.79 1r56 s VAL 26 Cb 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1r56 s VAL 26 CO 0.00 0.18 -0.12 -1.10 0.00 0.00 0.00 175.10 174.06 1r56 s GLN 27 N 0.69 2.40 -0.04 2.72 -0.21 0.29 -0.56 119.66 124.95 1r56 s GLN 27 Ca 0.53 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 55.14 1r56 s GLN 27 Cb -0.26 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.39 1r56 s GLN 27 CO 0.30 0.59 -0.07 0.99 -2.12 0.00 0.00 175.29 174.97 1r56 s THR 28 N -0.90 0.73 0.10 -0.19 2.01 0.07 -4.57 115.64 112.90 1r56 s THR 28 Ca 0.15 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1r56 s THR 28 Cb -0.11 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1r56 s THR 28 CO 0.05 0.26 -0.15 0.68 -0.69 0.00 0.00 174.62 174.76 1r56 s VAL 29 N 0.64 3.02 -0.04 3.82 -7.23 -1.26 0.22 120.40 119.56 1r56 s VAL 29 Ca -0.10 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1r56 s VAL 29 Cb -0.13 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.44 1r56 s VAL 29 CO 0.01 0.14 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.52 1r56 s TYR 30 N -1.14 1.22 -0.01 2.82 2.02 0.58 -4.88 117.35 117.96 1r56 s TYR 30 Ca 0.19 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1r56 s TYR 30 Cb -0.11 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1r56 s TYR 30 CO 0.11 -0.17 -0.09 -2.00 -1.57 0.00 0.00 175.55 171.82 1r56 s GLU 31 N 0.37 0.78 0.23 -0.62 2.12 -1.26 -0.45 118.70 119.88 1r56 s GLU 31 Ca -0.08 -0.33 -0.15 0.00 0.36 0.00 0.00 54.97 54.77 1r56 s GLU 31 Cb -0.12 -0.75 0.01 0.00 0.26 0.00 0.00 34.13 33.52 1r56 s GLU 31 CO 0.02 0.19 0.51 0.00 -0.54 0.00 0.00 175.26 175.44 1r56 s MET 32 N -0.18 1.51 -0.10 4.30 0.23 -0.40 -1.79 119.30 122.87 1r56 s MET 32 Ca 0.03 -1.11 0.03 0.00 -1.03 0.00 0.00 55.69 53.61 1r56 s MET 32 Cb -0.04 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 1r56 s MET 32 CO -0.00 -0.64 -0.18 0.99 -2.03 0.00 0.00 175.02 173.16 1r56 s THR 33 N -3.96 1.66 -0.01 3.16 2.01 0.66 -0.65 115.64 118.51 1r56 s THR 33 Ca 0.17 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.47 1r56 s THR 33 Cb -0.01 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1r56 s THR 33 CO 0.05 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.56 1r56 s VAL 34 N 0.71 2.57 -0.06 3.82 1.01 0.55 -0.51 120.40 128.50 1r56 s VAL 34 Ca -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1r56 s VAL 34 Cb -0.16 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1r56 s VAL 34 CO 0.02 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 1r56 s VAL 36 N 0.80 1.21 0.01 0.00 1.01 -0.65 0.53 120.40 123.32 1r56 s VAL 36 Ca -0.13 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1r56 s VAL 36 Cb -0.15 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1r56 s VAL 36 CO 0.02 0.40 -0.20 -0.76 0.00 0.00 0.00 175.10 174.55 1r56 s LEU 37 N 1.50 2.46 0.08 3.92 1.43 0.13 -1.55 118.68 126.64 1r56 s LEU 37 Ca 0.02 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1r56 s LEU 37 Cb -0.13 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1r56 s LEU 37 CO -0.07 0.29 -0.22 -0.76 0.23 0.00 0.00 176.35 175.81 1r56 s LEU 38 N -1.12 2.46 0.08 1.79 1.43 0.24 -1.39 118.68 122.17 1r56 s LEU 38 Ca 0.13 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1r56 s LEU 38 Cb -0.10 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1r56 s LEU 38 CO 0.03 0.22 -0.19 -1.61 0.23 0.00 0.00 176.35 175.03 1r56 s GLU 39 N -1.71 1.10 0.00 1.70 2.02 -0.73 -2.15 118.70 118.93 1r56 s GLU 39 Ca 0.15 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1r56 s GLU 39 Cb -0.10 -1.26 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1r56 s GLU 39 CO 0.06 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1r56 n GLY 40 N 1.37 -0.76 2.74 -1.39 0.00 -1.26 -0.91 105.19 104.98 1r56 n GLY 40 Ca -0.19 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1r56 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r56 n GLU 41 N 0.00 3.06 -0.06 1.61 1.02 0.29 -4.55 120.64 122.02 1r56 n GLU 41 Ca 0.00 -2.78 0.02 0.00 -0.02 0.00 0.00 57.16 54.39 1r56 n GLU 41 Cb 0.00 -3.19 0.05 0.00 -0.02 0.00 0.00 31.44 28.28 1r56 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1r56 n ILE 42 N 4.65 0.72 -0.29 -3.67 -5.35 -1.26 -4.73 119.36 109.43 1r56 n ILE 42 Ca 0.51 -0.86 0.20 0.00 -0.27 0.00 0.00 62.75 62.32 1r56 n ILE 42 Cb 0.38 0.67 0.49 0.00 -1.74 0.00 0.00 39.64 39.43 1r56 n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r56 h GLU 43 N 0.90 0.44 0.00 6.28 3.07 -1.99 -2.06 114.58 121.21 1r56 h GLU 43 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1r56 h GLU 43 Cb 0.49 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1r56 h GLU 43 CO 0.00 0.29 -0.08 1.79 -1.40 0.00 0.00 179.01 179.61 1r56 h THR 44 N 0.45 0.66 -0.70 1.13 1.35 -1.90 0.56 112.91 114.47 1r56 h THR 44 Ca 0.53 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 1r56 h THR 44 Cb 1.26 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 1r56 h THR 44 CO -0.24 0.07 0.36 0.77 -0.25 0.00 0.00 175.52 176.23 1r56 h SER 45 N 0.00 0.88 0.11 5.36 4.64 -1.37 0.26 113.55 123.44 1r56 h SER 45 Ca -0.00 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1r56 h SER 45 Cb 0.18 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1r56 h SER 45 CO 0.01 0.73 -0.70 1.88 -0.87 0.00 0.00 176.83 177.88 1r56 h TYR 46 N 0.98 0.49 0.11 4.77 -1.99 -1.20 -2.79 116.97 117.34 1r56 h TYR 46 Ca 0.25 -0.35 -0.28 0.00 2.00 0.00 0.00 58.73 60.35 1r56 h TYR 46 Cb 0.07 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1r56 h TYR 46 CO 0.01 1.26 -1.34 1.79 -0.00 0.00 0.00 178.16 179.87 1r56 h THR 47 N -0.42 1.37 0.00 -2.88 1.35 -0.92 -3.39 112.91 108.01 1r56 h THR 47 Ca -0.12 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 1r56 h THR 47 Cb 1.54 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.80 1r56 h THR 47 CO 0.13 0.86 0.00 0.29 -0.25 0.00 0.00 175.52 176.55 1r56 n LYS 48 N -3.46 1.42 -2.81 4.72 4.76 0.83 -5.00 118.16 118.62 1r56 n LYS 48 Ca -0.11 -1.01 -0.17 0.00 -2.87 0.00 0.00 58.31 54.15 1r56 n LYS 48 Cb 1.02 -0.87 0.03 0.00 -1.84 0.00 0.00 35.03 33.37 1r56 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r56 n ALA 49 N -0.27 -0.73 -2.83 7.82 0.00 -0.61 -4.95 120.51 118.94 1r56 n ALA 49 Ca 0.00 0.22 -0.44 0.00 0.00 0.00 0.00 53.44 53.22 1r56 n ALA 49 Cb 0.24 -3.04 -0.05 0.00 0.00 0.00 0.00 19.45 16.61 1r56 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r56 s ASP 50 N -2.75 6.23 0.00 0.00 2.15 -0.76 -4.89 116.67 116.64 1r56 s ASP 50 Ca 0.22 -0.92 0.31 0.00 0.43 0.00 0.00 52.55 52.59 1r56 s ASP 50 Cb -0.10 -2.34 1.62 0.00 -0.30 0.00 0.00 42.92 41.80 1r56 s ASP 50 CO 0.27 -1.10 2.09 0.59 -0.17 0.00 0.00 175.17 176.85 1r56 n ASN 51 N 6.73 0.06 0.25 -0.34 3.02 -1.26 -3.35 115.26 120.38 1r56 n ASN 51 Ca -0.05 -0.49 0.11 0.00 -0.03 0.00 0.00 54.58 54.12 1r56 n ASN 51 Cb 0.45 -0.17 0.65 0.00 -0.61 0.00 0.00 39.78 40.11 1r56 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1r56 h SER 52 N 0.08 0.00 0.18 6.41 4.64 -1.99 -1.49 113.55 121.39 1r56 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 52 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1r56 h SER 52 CO 0.00 0.16 -0.17 1.33 -0.87 0.00 0.00 176.83 177.27 1r56 n VAL 53 N -3.64 0.00 -3.44 0.95 0.24 -1.25 -4.87 118.33 106.32 1r56 n VAL 53 Ca -0.01 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 61.74 1r56 n VAL 53 Cb 0.28 0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.91 1r56 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1r56 s ILE 54 N -2.36 5.20 -0.26 1.34 -1.09 -0.56 -4.93 121.20 118.53 1r56 s ILE 54 Ca 0.29 0.32 -0.27 0.00 -2.23 0.00 0.00 60.65 58.76 1r56 s ILE 54 Cb 0.20 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1r56 s ILE 54 CO 0.47 0.10 0.94 -0.69 -1.23 0.00 0.00 174.94 174.52 1r56 s VAL 55 N 1.99 4.71 0.38 2.92 1.01 -1.26 -5.01 120.40 125.15 1r56 s VAL 55 Ca 0.12 1.68 -0.27 0.00 0.00 0.00 0.00 61.98 63.51 1r56 s VAL 55 Cb -0.16 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.87 1r56 s VAL 55 CO 0.11 -0.22 1.39 0.00 0.00 0.00 0.00 175.10 176.38 1r56 n ALA 56 N 6.31 1.87 0.04 5.51 0.00 -1.26 -4.85 120.51 128.13 1r56 n ALA 56 Ca 0.09 0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.89 1r56 n ALA 56 Cb 0.47 -2.35 0.45 0.00 0.00 0.00 0.00 19.45 18.03 1r56 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1r56 h THR 57 N 2.63 1.09 -0.96 0.00 1.35 -1.95 0.50 112.91 115.58 1r56 h THR 57 Ca -0.49 -0.20 0.04 0.00 -0.55 0.00 0.00 66.41 65.22 1r56 h THR 57 Cb 1.26 0.60 -0.06 0.00 -1.73 0.00 0.00 68.15 68.23 1r56 h THR 57 CO 0.63 0.10 0.63 -0.78 -0.25 0.00 0.00 175.52 175.84 1r56 h ASP 58 N 0.47 1.02 0.77 5.36 3.58 -1.95 -1.87 116.42 123.81 1r56 h ASP 58 Ca 0.12 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 1r56 h ASP 58 Cb -0.03 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1r56 h ASP 58 CO -0.03 0.69 -0.52 0.28 -2.88 0.00 0.00 179.24 176.78 1r56 h SER 59 N 1.18 0.00 -0.55 2.28 0.02 -1.29 -2.46 113.55 112.73 1r56 h SER 59 Ca 0.39 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1r56 h SER 59 Cb 0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1r56 h SER 59 CO -0.13 0.52 0.01 0.40 -1.14 0.00 0.00 176.83 176.49 1r56 h ILE 60 N 0.00 1.26 -0.11 3.27 2.04 -0.77 -1.81 117.51 121.39 1r56 h ILE 60 Ca -0.01 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1r56 h ILE 60 Cb 1.05 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1r56 h ILE 60 CO 0.07 0.39 0.07 0.50 0.00 0.00 0.00 178.15 179.18 1r56 h LYS 61 N 0.84 0.15 -0.69 2.37 3.64 -1.06 -2.00 116.57 119.82 1r56 h LYS 61 Ca 0.16 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1r56 h LYS 61 Cb 0.53 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 1r56 h LYS 61 CO 0.03 0.12 0.33 -0.91 -2.27 0.00 0.00 179.45 176.75 1r56 h ASN 62 N 0.13 0.42 -0.92 4.20 2.35 -1.33 -2.59 115.58 117.84 1r56 h ASN 62 Ca 0.04 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1r56 h ASN 62 Cb 0.01 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1r56 h ASN 62 CO -0.01 0.24 0.52 0.74 -1.65 0.00 0.00 177.43 177.27 1r56 h THR 63 N 0.57 1.26 -0.33 2.81 2.02 -1.03 -0.43 112.91 117.78 1r56 h THR 63 Ca 0.34 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1r56 h THR 63 Cb 0.37 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1r56 h THR 63 CO -0.27 0.29 0.10 0.40 0.37 0.00 0.00 175.52 176.41 1r56 h ILE 64 N 1.28 0.89 -0.34 3.11 2.04 -0.99 -0.19 117.51 123.32 1r56 h ILE 64 Ca 0.32 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1r56 h ILE 64 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1r56 h ILE 64 CO -0.05 0.04 0.11 1.88 0.00 0.00 0.00 178.15 180.12 1r56 h TYR 65 N 0.24 0.55 -0.53 1.37 0.05 -1.24 -1.35 116.97 116.06 1r56 h TYR 65 Ca 0.15 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 1r56 h TYR 65 Cb 0.13 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1r56 h TYR 65 CO -0.15 0.54 0.19 0.82 -1.05 0.00 0.00 178.16 178.51 1r56 h ILE 66 N 0.39 1.22 -0.72 -2.88 2.04 -0.87 -1.97 117.51 114.72 1r56 h ILE 66 Ca 0.11 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1r56 h ILE 66 Cb 0.25 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1r56 h ILE 66 CO -0.00 0.27 0.19 0.74 0.00 0.00 0.00 178.15 179.35 1r56 h THR 67 N 0.72 1.26 -0.20 -0.27 2.02 -0.93 -1.90 112.91 113.61 1r56 h THR 67 Ca 0.17 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1r56 h THR 67 Cb 0.23 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1r56 h THR 67 CO -0.01 0.37 -0.04 0.00 0.37 0.00 0.00 175.52 176.21 1r56 h ALA 68 N 1.11 1.56 -0.23 6.16 0.00 -1.13 -1.58 119.26 125.15 1r56 h ALA 68 Ca 0.23 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1r56 h ALA 68 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r56 h ALA 68 CO -0.00 0.32 -0.36 -0.22 0.00 0.00 0.00 179.25 178.99 1r56 h LYS 69 N 0.29 0.65 -0.01 0.00 1.63 -0.79 -3.34 116.57 115.00 1r56 h LYS 69 Ca 0.06 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1r56 h LYS 69 Cb 0.27 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1r56 h LYS 69 CO 0.01 1.01 -0.17 1.04 -3.45 0.00 0.00 179.45 177.88 1r56 n GLN 70 N -4.25 0.93 -4.07 1.90 6.02 -0.77 -4.96 117.38 112.18 1r56 n GLN 70 Ca -0.05 -0.48 -0.10 0.00 -0.01 0.00 0.00 57.00 56.36 1r56 n GLN 70 Cb 0.51 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.20 1r56 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r56 s ASN 71 N -2.41 0.18 0.35 1.08 0.01 -0.61 -5.07 114.94 108.47 1r56 s ASN 71 Ca 0.28 -1.07 -0.27 0.00 -0.71 0.00 0.00 52.86 51.09 1r56 s ASN 71 Cb 0.20 0.37 -0.09 0.00 0.41 0.00 0.00 41.25 42.13 1r56 s ASN 71 CO 0.48 -0.81 1.13 -2.84 -1.51 0.00 0.00 177.10 173.54 1r56 s PRO 72 N -4.02 4.34 0.00 -0.60 0.02 -1.26 -4.69 135.00 128.78 1r56 s PRO 72 Ca 0.22 1.79 0.23 0.00 0.02 0.00 0.00 61.00 63.26 1r56 s PRO 72 Cb 0.05 -2.89 0.20 0.00 0.02 0.00 0.00 34.50 31.88 1r56 s PRO 72 CO 0.02 -0.06 1.25 1.33 -0.33 0.00 0.00 177.00 179.21 1r56 n VAL 73 N 0.55 0.02 -4.51 3.83 0.24 -1.26 -4.36 118.33 112.84 1r56 n VAL 73 Ca 0.02 -0.51 -0.21 0.00 -2.04 0.00 0.00 64.34 61.60 1r56 n VAL 73 Cb 0.46 1.47 -0.14 0.00 -1.47 0.00 0.00 33.84 34.15 1r56 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1r56 s THR 74 N -1.93 1.07 0.81 3.34 -1.32 -1.26 -3.72 115.64 112.62 1r56 s THR 74 Ca 0.28 -0.72 -0.11 0.00 -1.21 0.00 0.00 61.69 59.92 1r56 s THR 74 Cb 0.20 -0.92 0.07 0.00 -1.51 0.00 0.00 72.50 70.34 1r56 s THR 74 CO 0.29 0.19 1.09 -2.16 -2.21 0.00 0.00 174.62 171.82 1r56 s PRO 75 N -0.61 2.01 0.48 7.08 0.04 -1.26 -4.84 135.00 137.90 1r56 s PRO 75 Ca 0.04 0.77 0.20 0.00 0.04 0.00 0.00 61.00 62.05 1r56 s PRO 75 Cb -0.06 -1.90 1.20 0.00 0.04 0.00 0.00 34.50 33.78 1r56 s PRO 75 CO 0.00 -1.70 2.03 -1.00 0.04 0.00 0.00 177.00 176.37 1r56 h PRO 76 N -1.15 0.00 -0.44 0.56 0.13 -1.97 -1.80 132.00 127.32 1r56 h PRO 76 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1r56 h PRO 76 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1r56 h PRO 76 CO 0.57 0.15 0.12 0.93 -0.23 0.00 0.00 178.00 179.55 1r56 h GLU 77 N 0.00 0.65 0.09 0.86 3.07 -1.95 0.12 114.58 117.43 1r56 h GLU 77 Ca -0.00 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1r56 h GLU 77 Cb 0.31 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1r56 h GLU 77 CO 0.02 0.58 -0.05 1.25 -1.40 0.00 0.00 179.01 179.42 1r56 h LEU 78 N 0.64 -0.11 -0.68 1.33 5.85 -1.70 -2.86 115.31 117.78 1r56 h LEU 78 Ca 0.15 -0.48 0.10 0.00 0.84 0.00 0.00 57.88 58.49 1r56 h LEU 78 Cb 0.22 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1r56 h LEU 78 CO -0.01 0.49 0.30 0.15 -0.34 0.00 0.00 178.44 179.04 1r56 h PHE 79 N -0.79 0.53 -0.80 1.25 3.57 -1.37 -0.75 116.94 118.59 1r56 h PHE 79 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1r56 h PHE 79 Cb 0.58 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1r56 h PHE 79 CO 0.12 0.16 0.53 0.78 -2.23 0.00 0.00 178.31 177.66 1r56 h GLY 80 N 0.51 1.12 0.75 2.40 0.00 -1.04 0.64 103.07 107.46 1r56 h GLY 80 Ca 0.34 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1r56 h GLY 80 CO -0.30 0.40 -0.05 1.76 0.00 0.00 0.00 176.54 178.35 1r56 h SER 81 N 1.07 0.30 -0.18 0.19 0.02 -1.20 0.60 113.55 114.36 1r56 h SER 81 Ca 0.29 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1r56 h SER 81 Cb -0.11 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1r56 h SER 81 CO -0.07 0.62 -0.03 0.40 -1.14 0.00 0.00 176.83 176.62 1r56 h ILE 82 N -0.02 0.84 -0.40 3.27 2.04 -1.00 0.15 117.51 122.39 1r56 h ILE 82 Ca 0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1r56 h ILE 82 Cb 0.50 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1r56 h ILE 82 CO 0.02 0.00 0.23 0.25 0.00 0.00 0.00 178.15 178.65 1r56 h LEU 83 N 0.02 0.50 -0.45 1.44 5.85 -0.79 -1.29 115.31 120.59 1r56 h LEU 83 Ca 0.08 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1r56 h LEU 83 Cb 0.12 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1r56 h LEU 83 CO -0.17 0.44 -0.63 1.23 -0.34 0.00 0.00 178.44 178.98 1r56 h GLY 84 N 0.52 0.58 1.04 3.75 0.00 -0.69 -3.04 103.07 105.23 1r56 h GLY 84 Ca 0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1r56 h GLY 84 CO -0.02 0.65 0.35 -0.84 0.00 0.00 0.00 176.54 176.68 1r56 h THR 85 N 0.39 1.26 -0.39 4.70 2.02 -0.61 -3.02 112.91 117.26 1r56 h THR 85 Ca -0.01 -0.79 0.08 0.00 0.77 0.00 0.00 66.41 66.46 1r56 h THR 85 Cb 1.19 0.25 -0.09 0.00 -1.74 0.00 0.00 68.15 67.76 1r56 h THR 85 CO 0.12 0.33 -0.32 -0.74 0.37 0.00 0.00 175.52 175.28 1r56 h HIS 86 N 1.18 -0.88 -0.80 3.16 6.17 -1.12 -2.02 115.15 120.84 1r56 h HIS 86 Ca 0.28 0.06 0.07 0.00 0.71 0.00 0.00 60.37 61.48 1r56 h HIS 86 Cb 0.18 0.44 -0.06 0.00 2.52 0.00 0.00 27.41 30.49 1r56 h HIS 86 CO 0.02 -0.38 0.48 0.74 0.71 0.00 0.00 177.93 179.50 1r56 h PHE 87 N -0.25 0.87 0.00 5.26 0.04 -1.54 -0.31 116.94 121.00 1r56 h PHE 87 Ca 0.17 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 1r56 h PHE 87 Cb 0.53 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1r56 h PHE 87 CO -0.53 0.41 -0.26 -0.84 -0.60 0.00 0.00 178.31 176.50 1r56 h ILE 88 N 0.85 0.53 0.15 -0.55 3.07 -1.47 -2.56 117.51 117.52 1r56 h ILE 88 Ca 0.36 -1.37 -0.32 0.00 1.55 0.00 0.00 64.86 65.08 1r56 h ILE 88 Cb 0.24 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 1r56 h ILE 88 CO -0.20 0.25 -1.58 -0.33 -1.05 0.00 0.00 178.15 175.25 1r56 h GLU 89 N 0.00 0.31 -0.16 0.16 5.08 -0.98 -3.37 114.58 115.63 1r56 h GLU 89 Ca -0.00 -0.53 -0.22 0.00 -1.00 0.00 0.00 59.36 57.61 1r56 h GLU 89 Cb 0.95 0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1r56 h GLU 89 CO 0.03 1.19 -0.76 -0.22 -1.00 0.00 0.00 179.01 178.26 1r56 h LYS 90 N 0.08 0.76 -4.94 2.33 1.63 -1.13 -3.43 116.57 111.88 1r56 h LYS 90 Ca -0.27 -0.61 -0.67 0.00 -0.85 0.00 0.00 60.65 58.26 1r56 h LYS 90 Cb 2.05 0.12 -0.29 0.00 -0.60 0.00 0.00 32.23 33.51 1r56 h LYS 90 CO 0.18 1.22 -0.72 0.71 -3.45 0.00 0.00 179.45 177.38 1r56 s TYR 91 N -3.76 3.01 0.35 1.91 2.02 -0.96 -5.00 117.35 114.92 1r56 s TYR 91 Ca -0.10 -1.20 0.03 0.00 -0.37 0.00 0.00 57.07 55.43 1r56 s TYR 91 Cb 0.09 -2.10 0.64 0.00 -0.40 0.00 0.00 41.96 40.19 1r56 s TYR 91 CO 0.90 -0.63 1.97 -0.91 -1.57 0.00 0.00 175.55 175.30 1r56 h ASN 92 N 8.09 0.64 -0.03 2.29 2.35 -1.84 -2.70 115.58 124.38 1r56 h ASN 92 Ca -0.37 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1r56 h ASN 92 Cb 1.14 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1r56 h ASN 92 CO 0.60 0.53 0.00 0.00 -1.65 0.00 0.00 177.43 176.91 1r56 n HIS 93 N -4.39 0.02 -3.60 1.19 1.44 -1.26 -4.79 115.22 103.83 1r56 n HIS 93 Ca 0.04 -0.01 -0.40 0.00 -2.01 0.00 0.00 57.72 55.35 1r56 n HIS 93 Cb 0.11 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.11 1r56 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1r56 s ILE 94 N -1.98 4.83 -0.73 0.61 -1.09 -1.02 0.11 121.20 121.92 1r56 s ILE 94 Ca 0.37 -0.43 0.16 0.00 -2.23 0.00 0.00 60.65 58.52 1r56 s ILE 94 Cb 0.21 -3.51 -0.17 0.00 -1.58 0.00 0.00 42.46 37.40 1r56 s ILE 94 CO 0.33 -0.01 0.66 1.41 -1.23 0.00 0.00 174.94 176.10 1r56 n HIS 95 N 5.03 0.00 -3.72 3.97 8.25 -0.09 -4.52 115.22 124.14 1r56 n HIS 95 Ca -0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.19 1r56 n HIS 95 Cb 0.49 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.50 1r56 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r56 s ALA 96 N -2.50 -1.06 -0.06 -1.41 0.00 -0.83 -0.94 121.76 114.95 1r56 s ALA 96 Ca 0.06 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1r56 s ALA 96 Cb 0.12 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1r56 s ALA 96 CO 0.65 -0.23 -0.10 0.00 0.00 0.00 0.00 175.76 176.08 1r56 s ALA 97 N -0.16 1.10 -0.23 0.00 0.00 -0.16 -1.77 121.76 120.53 1r56 s ALA 97 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1r56 s ALA 97 Cb -0.03 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1r56 s ALA 97 CO 0.02 0.09 -0.10 -1.01 0.00 0.00 0.00 175.76 174.76 1r56 s HIS 98 N 0.70 2.99 -0.16 0.00 3.76 -0.48 -0.94 115.29 121.17 1r56 s HIS 98 Ca -0.14 -1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 53.21 1r56 s HIS 98 Cb -0.15 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 1r56 s HIS 98 CO 0.03 -0.74 -0.09 0.08 -0.85 0.00 0.00 174.74 173.17 1r56 s VAL 99 N 1.32 3.27 -0.05 -0.90 1.01 -0.31 -0.69 120.40 124.05 1r56 s VAL 99 Ca 0.01 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1r56 s VAL 99 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1r56 s VAL 99 CO -0.07 0.50 -0.21 0.21 0.00 0.00 0.00 175.10 175.53 1r56 s ASN 100 N 0.63 3.41 -0.03 3.32 2.47 0.19 -0.52 114.94 124.40 1r56 s ASN 100 Ca -0.05 -0.40 0.01 0.00 0.42 0.00 0.00 52.86 52.84 1r56 s ASN 100 Cb -0.15 -0.77 0.02 0.00 -1.45 0.00 0.00 41.25 38.90 1r56 s ASN 100 CO 0.03 0.29 -0.02 -0.63 -3.72 0.00 0.00 177.10 173.04 1r56 s ILE 101 N -0.40 0.30 -0.17 -5.21 1.01 -0.57 -0.47 121.20 115.70 1r56 s ILE 101 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1r56 s ILE 101 Cb -0.12 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1r56 s ILE 101 CO 0.02 0.15 -0.15 -0.69 0.00 0.00 0.00 174.94 174.27 1r56 s VAL 102 N 0.74 2.60 -0.18 2.92 1.01 0.33 -1.70 120.40 126.13 1r56 s VAL 102 Ca -0.08 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1r56 s VAL 102 Cb -0.11 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1r56 s VAL 102 CO -0.01 0.51 0.12 0.00 0.00 0.00 0.00 175.10 175.72 1r56 s HIS 104 N 0.14 3.52 -0.09 0.00 3.76 -0.74 -2.99 115.29 118.89 1r56 s HIS 104 Ca 0.08 0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 1r56 s HIS 104 Cb -0.11 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 1r56 s HIS 104 CO -0.01 0.59 1.09 1.03 -0.85 0.00 0.00 174.74 176.59 1r56 s ARG 105 N -2.38 4.39 -0.39 1.40 0.52 -1.26 -4.54 118.95 116.69 1r56 s ARG 105 Ca 0.34 1.51 0.01 0.00 -0.52 0.00 0.00 55.73 57.07 1r56 s ARG 105 Cb -0.13 -3.55 0.12 0.00 0.52 0.00 0.00 34.95 31.91 1r56 s ARG 105 CO 0.25 -0.38 0.18 -1.58 0.02 0.00 0.00 175.30 173.79 1r56 s TRP 106 N 2.15 1.94 -0.12 -0.53 0.23 -1.26 -4.28 118.94 117.07 1r56 s TRP 106 Ca 0.51 -2.21 -0.15 0.00 -2.03 0.00 0.00 56.10 52.23 1r56 s TRP 106 Cb -0.21 -1.85 -0.05 0.00 0.03 0.00 0.00 33.47 31.39 1r56 s TRP 106 CO 0.19 -0.82 0.35 0.99 0.96 0.00 0.00 176.95 178.62 1r56 s THR 107 N 0.81 5.24 0.21 2.01 2.01 -0.39 -4.85 115.64 120.68 1r56 s THR 107 Ca 0.15 0.68 -0.32 0.00 0.31 0.00 0.00 61.69 62.51 1r56 s THR 107 Cb -0.22 -3.68 -0.13 0.00 0.01 0.00 0.00 72.50 68.48 1r56 s THR 107 CO -0.08 0.41 1.61 -1.14 -0.69 0.00 0.00 174.62 174.73 1r56 n ARG 108 N 3.27 2.44 -2.28 4.92 0.63 -1.26 -1.04 116.66 123.33 1r56 n ARG 108 Ca -0.11 0.88 -0.34 0.00 -0.92 0.00 0.00 57.85 57.36 1r56 n ARG 108 Cb 0.52 -2.66 -0.01 0.00 0.45 0.00 0.00 32.46 30.76 1r56 n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1r56 s MET 109 N 0.58 3.50 -0.21 -0.14 -1.94 0.43 -4.85 119.30 116.67 1r56 s MET 109 Ca 0.74 1.36 -0.05 0.00 -1.71 0.00 0.00 55.69 56.02 1r56 s MET 109 Cb -0.59 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1r56 s MET 109 CO 0.39 -0.68 0.00 -0.51 -0.01 0.00 0.00 175.02 174.21 1r56 s ASP 110 N -2.24 4.73 -0.18 3.03 1.01 -1.26 -0.99 116.67 120.77 1r56 s ASP 110 Ca 0.67 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.68 1r56 s ASP 110 Cb -0.18 -1.82 0.02 0.00 1.01 0.00 0.00 42.92 41.96 1r56 s ASP 110 CO 0.28 0.02 -0.19 -0.63 0.21 0.00 0.00 175.17 174.86 1r56 s ILE 111 N 1.24 2.08 -1.35 0.77 -1.09 0.86 -4.66 121.20 119.05 1r56 s ILE 111 Ca 0.03 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.45 1r56 s ILE 111 Cb -0.15 -1.88 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1r56 s ILE 111 CO 0.01 0.52 0.88 0.47 -1.23 0.00 0.00 174.94 175.58 1r56 n ASP 112 N 4.62 -2.78 0.00 3.58 8.00 -1.26 -1.45 116.55 127.26 1r56 n ASP 112 Ca -0.21 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1r56 n ASP 112 Cb 0.50 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 1r56 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r56 n GLY 113 N -1.58 2.09 3.54 0.44 0.00 -1.26 -4.98 105.19 103.44 1r56 n GLY 113 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1r56 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r56 s LYS 114 N 0.00 2.61 0.08 1.61 -2.85 -0.53 -5.05 119.74 115.61 1r56 s LYS 114 Ca 0.00 -0.64 -0.31 0.00 -1.00 0.00 0.00 55.97 54.02 1r56 s LYS 114 Cb 0.00 -2.48 -0.08 0.00 -2.06 0.00 0.00 37.83 33.20 1r56 s LYS 114 CO 0.00 0.64 1.65 -2.14 0.10 0.00 0.00 175.35 175.60 1r56 s PRO 115 N -0.87 4.20 0.21 1.78 0.02 -1.26 -0.10 135.00 138.98 1r56 s PRO 115 Ca 0.13 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.18 1r56 s PRO 115 Cb -0.11 -3.56 -0.08 0.00 0.02 0.00 0.00 34.50 30.77 1r56 s PRO 115 CO 0.02 -0.73 0.96 -1.58 -0.33 0.00 0.00 177.00 175.34 1r56 s HIS 116 N 2.52 3.91 -0.57 6.54 2.46 -0.16 -4.90 115.29 125.10 1r56 s HIS 116 Ca 0.74 1.87 0.24 0.00 0.47 0.00 0.00 55.06 58.38 1r56 s HIS 116 Cb -0.40 -3.02 0.93 0.00 -0.13 0.00 0.00 32.58 29.96 1r56 s HIS 116 CO 0.32 0.31 1.73 -0.35 -2.47 0.00 0.00 174.74 174.28 1r56 n PRO 117 N 1.85 0.21 -0.44 2.88 -0.04 -1.26 -4.16 135.00 134.04 1r56 n PRO 117 Ca -0.01 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1r56 n PRO 117 Cb 0.47 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1r56 n PRO 117 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1r56 n HIS 118 N -2.23 0.00 -5.08 0.54 1.44 -1.26 -0.55 115.22 108.08 1r56 n HIS 118 Ca 0.03 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.42 1r56 n HIS 118 Cb 0.29 0.11 -0.16 0.00 0.12 0.00 0.00 29.99 30.35 1r56 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1r56 s SER 119 N -0.40 3.43 0.13 4.39 0.01 -1.26 -5.05 113.70 114.96 1r56 s SER 119 Ca 0.00 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.86 1r56 s SER 119 Cb 0.00 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 1r56 s SER 119 CO 0.00 0.21 -0.10 -0.36 0.41 0.00 0.00 173.24 173.41 1r56 s PHE 120 N 0.04 1.15 0.00 2.43 0.40 -1.26 -0.43 117.98 120.31 1r56 s PHE 120 Ca -0.08 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.52 1r56 s PHE 120 Cb -0.15 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 1r56 s PHE 120 CO 0.05 0.02 -0.06 -1.50 0.70 0.00 0.00 175.22 174.43 1r56 s ILE 121 N -3.13 0.50 -1.28 0.64 2.07 -0.21 -4.87 121.20 114.92 1r56 s ILE 121 Ca 0.13 -0.36 -0.18 0.00 -1.41 0.00 0.00 60.65 58.82 1r56 s ILE 121 Cb 0.01 -0.44 0.07 0.00 0.13 0.00 0.00 42.46 42.24 1r56 s ILE 121 CO -0.00 0.08 1.71 -0.60 -1.91 0.00 0.00 174.94 174.22 1r56 s ARG 122 N -0.32 3.98 0.08 3.50 6.06 -1.26 -1.26 118.95 129.73 1r56 s ARG 122 Ca 0.01 -1.99 -0.30 0.00 -2.50 0.00 0.00 55.73 50.95 1r56 s ARG 122 Cb -0.03 -5.51 -0.05 0.00 0.06 0.00 0.00 34.95 29.42 1r56 s ARG 122 CO -0.00 -2.23 0.98 0.16 -2.50 0.00 0.00 175.30 171.70 1r56 s ASP 123 N 4.20 7.43 0.57 -2.12 -4.77 -1.26 -4.89 116.67 115.83 1r56 s ASP 123 Ca 0.53 1.77 0.00 0.00 -3.30 0.00 0.00 52.55 51.55 1r56 s ASP 123 Cb 0.04 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1r56 s ASP 123 CO 0.07 -0.15 0.00 -0.24 0.70 0.00 0.00 175.17 175.55 1r56 n SER 124 N 3.18 -8.58 -0.90 2.11 2.88 -1.26 -4.76 113.62 106.29 1r56 n SER 124 Ca 0.04 1.65 0.10 0.00 -1.33 0.00 0.00 58.87 59.32 1r56 n SER 124 Cb 0.50 -5.15 0.15 0.00 -0.75 0.00 0.00 64.21 58.96 1r56 n SER 124 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1r56 n GLU 125 N -1.96 2.09 -1.70 -1.46 4.07 -1.26 -4.68 120.64 115.73 1r56 n GLU 125 Ca 0.00 -1.95 -0.43 0.00 -0.06 0.00 0.00 57.16 54.72 1r56 n GLU 125 Cb 0.30 -1.40 -0.01 0.00 -0.06 0.00 0.00 31.44 30.26 1r56 n GLU 125 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1r56 n GLU 126 N 1.15 2.20 -4.29 5.31 2.13 -1.24 -4.78 120.64 121.12 1r56 n GLU 126 Ca 0.15 0.77 -0.27 0.00 0.66 0.00 0.00 57.16 58.47 1r56 n GLU 126 Cb 0.51 -2.39 -0.10 0.00 0.27 0.00 0.00 31.44 29.74 1r56 n GLU 126 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1r56 s LYS 127 N -1.61 2.04 -0.20 5.31 -0.14 0.64 -4.38 119.74 121.40 1r56 s LYS 127 Ca 0.57 -1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 53.92 1r56 s LYS 127 Cb -0.57 -2.16 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1r56 s LYS 127 CO 0.60 0.44 -0.10 0.50 -0.76 0.00 0.00 175.35 176.03 1r56 s ARG 128 N -2.72 3.26 0.34 1.68 3.52 -1.16 -1.84 118.95 122.04 1r56 s ARG 128 Ca 0.24 -0.69 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 1r56 s ARG 128 Cb -0.09 -2.84 -0.07 0.00 -1.56 0.00 0.00 34.95 30.39 1r56 s ARG 128 CO 0.15 -0.15 -0.02 -0.80 -0.81 0.00 0.00 175.30 173.66 1r56 s ASN 129 N 1.29 3.28 -0.05 -2.12 -0.87 -0.69 -0.34 114.94 115.45 1r56 s ASN 129 Ca 0.04 -1.28 -0.16 0.00 -1.57 0.00 0.00 52.86 49.88 1r56 s ASN 129 Cb -0.14 -0.27 0.03 0.00 -0.02 0.00 0.00 41.25 40.85 1r56 s ASN 129 CO -0.05 -0.39 0.36 0.68 -2.57 0.00 0.00 177.10 175.13 1r56 s VAL 130 N -2.87 0.04 -0.12 1.60 -7.23 -0.69 -1.77 120.40 109.36 1r56 s VAL 130 Ca 0.33 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1r56 s VAL 130 Cb 0.06 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.39 1r56 s VAL 130 CO 0.16 -0.18 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.05 1r56 s GLN 131 N -0.99 2.15 -0.16 4.82 0.74 -0.26 -1.51 119.66 124.45 1r56 s GLN 131 Ca -0.10 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 54.79 1r56 s GLN 131 Cb -0.04 -1.92 0.02 0.00 1.10 0.00 0.00 33.01 32.17 1r56 s GLN 131 CO 0.04 -0.15 -0.16 0.08 -0.55 0.00 0.00 175.29 174.56 1r56 s VAL 132 N 1.24 1.72 -0.24 1.34 1.01 0.32 -1.60 120.40 124.19 1r56 s VAL 132 Ca -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1r56 s VAL 132 Cb -0.14 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1r56 s VAL 132 CO -0.05 0.46 0.06 -1.81 0.00 0.00 0.00 175.10 173.76 1r56 s ASP 133 N 1.42 5.16 -0.32 3.32 1.01 0.67 -1.16 116.67 126.77 1r56 s ASP 133 Ca 0.05 -0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.15 1r56 s ASP 133 Cb -0.13 -1.92 0.08 0.00 1.01 0.00 0.00 42.92 41.96 1r56 s ASP 133 CO -0.11 -0.00 0.03 -0.69 0.21 0.00 0.00 175.17 174.60 1r56 s VAL 134 N 1.42 2.53 -0.20 -1.27 1.01 -0.11 -0.92 120.40 122.85 1r56 s VAL 134 Ca 0.05 -1.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.04 1r56 s VAL 134 Cb -0.15 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1r56 s VAL 134 CO 0.03 -0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.00 1r56 s VAL 135 N 1.05 3.36 -0.07 2.92 1.01 -1.07 -0.99 120.40 126.61 1r56 s VAL 135 Ca 0.03 -0.51 -0.36 0.00 0.00 0.00 0.00 61.98 61.14 1r56 s VAL 135 Cb -0.20 -2.51 -0.14 0.00 0.00 0.00 0.00 36.38 33.53 1r56 s VAL 135 CO -0.05 0.44 1.72 1.21 0.00 0.00 0.00 175.10 178.41 1r56 n GLU 136 N 4.52 1.76 -0.28 2.72 2.13 -0.12 -0.39 120.64 130.98 1r56 n GLU 136 Ca -0.18 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1r56 n GLU 136 Cb 0.51 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1r56 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r56 n GLY 137 N 3.91 2.07 0.09 8.31 0.00 -1.26 -4.83 105.19 113.48 1r56 n GLY 137 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1r56 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r56 n LYS 138 N -2.00 1.61 0.00 1.61 5.02 0.47 -5.12 118.16 119.75 1r56 n LYS 138 Ca 0.00 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1r56 n LYS 138 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1r56 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 139 N -0.76 0.22 2.91 0.72 0.00 -1.11 -4.82 105.19 102.35 1r56 n GLY 139 Ca 0.06 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1r56 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r56 s ILE 140 N 0.00 0.83 -0.19 -0.61 1.01 -0.56 -2.59 121.20 119.10 1r56 s ILE 140 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1r56 s ILE 140 Cb 0.00 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1r56 s ILE 140 CO 0.00 0.31 0.06 -1.81 0.00 0.00 0.00 174.94 173.50 1r56 s ASP 141 N 1.32 5.49 -0.04 3.58 1.01 -0.10 -1.54 116.67 126.39 1r56 s ASP 141 Ca -0.03 0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.29 1r56 s ASP 141 Cb -0.14 -1.94 -0.00 0.00 1.01 0.00 0.00 42.92 41.85 1r56 s ASP 141 CO -0.03 0.14 -0.18 -0.63 0.21 0.00 0.00 175.17 174.68 1r56 s ILE 142 N 0.56 1.52 -0.17 0.77 1.01 -1.26 -0.24 121.20 123.39 1r56 s ILE 142 Ca 0.03 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1r56 s ILE 142 Cb -0.13 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1r56 s ILE 142 CO 0.01 0.44 -0.16 -0.54 0.00 0.00 0.00 174.94 174.69 1r56 s LYS 143 N 0.00 2.53 0.04 2.79 1.02 -0.63 -1.82 119.74 123.67 1r56 s LYS 143 Ca -0.04 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.25 1r56 s LYS 143 Cb -0.12 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1r56 s LYS 143 CO 0.02 -0.26 0.09 -1.12 -0.92 0.00 0.00 175.35 173.17 1r56 s SER 144 N 1.39 5.68 0.22 2.83 0.01 -0.26 -1.11 113.70 122.46 1r56 s SER 144 Ca 0.04 0.09 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1r56 s SER 144 Cb -0.13 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1r56 s SER 144 CO -0.11 0.22 0.47 -0.94 0.41 0.00 0.00 173.24 173.29 1r56 s SER 145 N -2.09 -0.13 0.05 2.44 1.04 -0.73 -0.16 113.70 114.12 1r56 s SER 145 Ca 0.27 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1r56 s SER 145 Cb -0.12 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1r56 s SER 145 CO 0.19 -1.08 -0.18 -1.48 0.98 0.00 0.00 173.24 171.67 1r56 s LEU 146 N -2.96 2.18 0.23 2.42 0.05 -0.35 -1.71 118.68 118.55 1r56 s LEU 146 Ca 0.17 -0.51 -0.17 0.00 0.05 0.00 0.00 54.13 53.67 1r56 s LEU 146 Cb -0.00 -0.79 0.02 0.00 -2.05 0.00 0.00 46.19 43.36 1r56 s LEU 146 CO 0.03 0.09 0.55 -0.94 -0.55 0.00 0.00 176.35 175.54 1r56 s SER 147 N -1.23 -0.20 -0.80 1.48 1.04 -0.76 -1.98 113.70 111.24 1r56 s SER 147 Ca 0.05 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1r56 s SER 147 Cb -0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1r56 s SER 147 CO 0.02 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1r56 n GLY 148 N -0.38 0.90 3.54 7.32 0.00 -1.22 -0.26 105.19 115.10 1r56 n GLY 148 Ca -0.06 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1r56 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r56 s LEU 149 N -1.78 4.35 -0.22 0.99 2.96 -1.24 -3.63 118.68 120.11 1r56 s LEU 149 Ca 0.00 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1r56 s LEU 149 Cb 0.00 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1r56 s LEU 149 CO 0.00 -0.73 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.41 1r56 s THR 150 N 2.86 3.71 0.15 3.68 2.01 -1.26 0.59 115.64 127.38 1r56 s THR 150 Ca 0.25 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.92 1r56 s THR 150 Cb -0.14 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1r56 s THR 150 CO 0.18 0.40 -0.13 0.68 -0.69 0.00 0.00 174.62 175.07 1r56 s VAL 151 N 1.41 1.35 -0.09 3.82 -7.23 -0.76 -5.03 120.40 113.88 1r56 s VAL 151 Ca 0.05 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 1r56 s VAL 151 Cb -0.15 -1.76 0.04 0.00 0.56 0.00 0.00 36.38 35.08 1r56 s VAL 151 CO -0.00 -0.58 0.20 -0.22 -0.31 0.00 0.00 175.10 174.19 1r56 s LEU 152 N -2.91 0.71 -0.13 1.32 0.20 -1.26 -1.86 118.68 114.76 1r56 s LEU 152 Ca 0.15 0.42 0.02 0.00 0.69 0.00 0.00 54.13 55.41 1r56 s LEU 152 Cb -0.01 0.61 0.00 0.00 -0.43 0.00 0.00 46.19 46.36 1r56 s LEU 152 CO 0.03 -0.14 -0.21 -1.59 -0.29 0.00 0.00 176.35 174.16 1r56 s LYS 153 N 0.95 3.09 0.00 1.98 -2.85 0.73 -5.00 119.74 118.65 1r56 s LYS 153 Ca -0.07 -0.83 0.29 0.00 -1.00 0.00 0.00 55.97 54.36 1r56 s LYS 153 Cb -0.09 -2.45 1.51 0.00 -2.06 0.00 0.00 37.83 34.75 1r56 s LYS 153 CO -0.06 0.07 2.02 -1.13 0.10 0.00 0.00 175.35 176.35 1r56 n SER 154 N 3.87 0.00 -0.82 0.03 3.41 -1.26 -1.40 113.62 117.44 1r56 n SER 154 Ca -0.19 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1r56 n SER 154 Cb 0.52 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1r56 n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1r56 n THR 155 N -1.24 0.00 -3.31 6.66 5.66 -1.25 -4.55 114.28 116.24 1r56 n THR 155 Ca 0.15 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.91 1r56 n THR 155 Cb 0.21 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.01 1r56 n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r56 n ASN 156 N -0.63 -4.81 -3.98 1.09 4.13 -1.26 -4.81 115.26 104.99 1r56 n ASN 156 Ca 0.00 -0.40 -0.18 0.00 1.68 0.00 0.00 54.58 55.67 1r56 n ASN 156 Cb 0.00 -3.91 -0.15 0.00 -1.54 0.00 0.00 39.78 34.18 1r56 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1r56 s SER 157 N -2.80 0.95 0.30 6.41 0.15 -1.25 -3.99 113.70 113.48 1r56 s SER 157 Ca 0.40 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.93 1r56 s SER 157 Cb -0.20 -0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 1r56 s SER 157 CO 0.50 0.07 0.09 -1.10 1.20 0.00 0.00 173.24 173.99 1r56 s GLN 158 N 0.06 1.57 -0.29 5.44 -0.21 -0.61 0.10 119.66 125.72 1r56 s GLN 158 Ca -0.01 -1.88 0.04 0.00 0.02 0.00 0.00 55.36 53.53 1r56 s GLN 158 Cb -0.06 -0.53 0.20 0.00 1.00 0.00 0.00 33.01 33.61 1r56 s GLN 158 CO -0.00 -0.28 0.64 0.12 -2.12 0.00 0.00 175.29 173.65 1r56 s PHE 159 N -3.50 -1.69 0.32 0.91 5.36 -0.16 -4.08 117.98 115.14 1r56 s PHE 159 Ca 0.36 1.04 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 1r56 s PHE 159 Cb 0.08 0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 43.05 1r56 s PHE 159 CO 0.15 -0.98 0.38 1.67 -1.46 0.00 0.00 175.22 174.97 1r56 s TRP 160 N 2.85 1.28 -1.74 10.12 1.48 -1.26 -1.09 118.94 130.58 1r56 s TRP 160 Ca 0.13 -1.40 0.00 0.00 -1.06 0.00 0.00 56.10 53.76 1r56 s TRP 160 Cb -0.09 -0.33 0.00 0.00 -1.16 0.00 0.00 33.47 31.89 1r56 s TRP 160 CO -0.25 -1.00 0.00 0.41 -4.06 0.00 0.00 176.95 172.05 1r56 n GLY 161 N -0.55 0.15 3.96 3.67 0.00 -1.26 -4.99 105.19 106.17 1r56 n GLY 161 Ca 0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1r56 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r56 s PHE 162 N -2.90 2.88 0.40 1.61 -0.71 -1.26 -5.03 117.98 112.98 1r56 s PHE 162 Ca 0.00 0.08 -0.27 0.00 -1.04 0.00 0.00 56.93 55.70 1r56 s PHE 162 Cb 0.00 -2.82 -0.10 0.00 -1.21 0.00 0.00 43.02 38.89 1r56 s PHE 162 CO 0.00 -0.96 1.46 -1.17 -1.34 0.00 0.00 175.22 173.22 1r56 s LEU 163 N -4.85 4.26 -0.04 -1.99 0.20 -1.26 -5.02 118.68 109.98 1r56 s LEU 163 Ca 0.58 3.00 0.02 0.00 0.69 0.00 0.00 54.13 58.41 1r56 s LEU 163 Cb -0.10 -3.75 0.02 0.00 -0.43 0.00 0.00 46.19 41.92 1r56 s LEU 163 CO 0.40 -0.96 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.30 1r56 s ARG 164 N -2.20 1.04 0.00 1.98 0.52 -1.26 -4.98 118.95 114.05 1r56 s ARG 164 Ca 0.55 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1r56 s ARG 164 Cb -0.45 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.05 1r56 s ARG 164 CO 0.61 -0.02 0.00 -0.40 0.02 0.00 0.00 175.30 175.51 1r56 n ASP 165 N 3.84 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 120.03 1r56 n ASP 165 Ca -0.24 -0.04 0.09 0.00 -0.50 0.00 0.00 54.79 54.10 1r56 n ASP 165 Cb 0.52 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.99 1r56 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1r56 n GLU 166 N 0.00 0.31 0.00 0.11 0.00 -1.26 -2.01 120.64 117.79 1r56 n GLU 166 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 57.16 57.34 1r56 n GLU 166 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.90 1r56 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1r56 n TYR 167 N -1.25 0.00 -3.40 -1.84 4.01 -1.26 -4.97 117.16 108.45 1r56 n TYR 167 Ca 0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.46 1r56 n TYR 167 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 1r56 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1r56 s THR 168 N -2.35 5.05 0.00 -0.72 2.01 -0.85 -4.93 115.64 113.84 1r56 s THR 168 Ca 0.12 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1r56 s THR 168 Cb 0.15 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1r56 s THR 168 CO 0.57 0.48 0.00 0.35 -0.69 0.00 0.00 174.62 175.34 1r56 n THR 169 N 2.50 0.00 -2.20 -0.82 -2.24 -1.26 -4.83 114.28 105.43 1r56 n THR 169 Ca -0.11 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1r56 n THR 169 Cb 0.52 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1r56 n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1r56 s LEU 170 N -0.76 4.33 0.34 3.22 2.96 -1.26 -5.02 118.68 122.49 1r56 s LEU 170 Ca 0.00 2.18 -0.26 0.00 -0.22 0.00 0.00 54.13 55.83 1r56 s LEU 170 Cb 0.00 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 1r56 s LEU 170 CO 0.00 -0.70 0.97 -0.54 -1.32 0.00 0.00 176.35 174.75 1r56 s LYS 171 N 2.06 4.51 0.71 1.98 1.02 -1.26 -5.05 119.74 123.72 1r56 s LYS 171 Ca 0.64 1.37 -0.11 0.00 0.02 0.00 0.00 55.97 57.89 1r56 s LYS 171 Cb -0.33 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1r56 s LYS 171 CO 0.28 0.20 1.07 -1.21 -0.92 0.00 0.00 175.35 174.77 1r56 s GLU 172 N -2.14 2.75 -0.10 1.68 2.02 -1.26 -5.02 118.70 116.63 1r56 s GLU 172 Ca 0.52 1.03 -0.17 0.00 0.02 0.00 0.00 54.97 56.36 1r56 s GLU 172 Cb -0.19 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.11 1r56 s GLU 172 CO 0.25 -1.25 0.43 -0.08 0.02 0.00 0.00 175.26 174.63 1r56 s THR 173 N -2.97 0.02 -1.88 3.63 -1.32 -0.25 -5.00 115.64 107.88 1r56 s THR 173 Ca 0.59 -0.17 0.15 0.00 -1.21 0.00 0.00 61.69 61.05 1r56 s THR 173 Cb -0.15 -0.67 0.12 0.00 -1.51 0.00 0.00 72.50 70.28 1r56 s THR 173 CO 0.54 -0.09 0.97 0.79 -2.21 0.00 0.00 174.62 174.63 1r56 n TRP 174 N 2.02 0.00 -3.58 9.09 8.01 -1.26 -0.98 117.44 130.73 1r56 n TRP 174 Ca -0.17 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 55.92 1r56 n TRP 174 Cb 0.57 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.77 1r56 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1r56 s ASP 175 N -1.28 0.04 0.21 -0.99 2.15 -1.25 -4.57 116.67 110.99 1r56 s ASP 175 Ca 0.18 0.69 -0.07 0.00 0.43 0.00 0.00 52.55 53.78 1r56 s ASP 175 Cb 0.13 1.13 -0.02 0.00 -0.30 0.00 0.00 42.92 43.85 1r56 s ASP 175 CO 0.19 -0.25 0.29 0.00 -0.17 0.00 0.00 175.17 175.23 1r56 s ARG 176 N 2.55 1.32 -0.01 4.34 1.70 0.12 -4.97 118.95 123.99 1r56 s ARG 176 Ca 0.02 -1.41 -0.24 0.00 -0.47 0.00 0.00 55.73 53.64 1r56 s ARG 176 Cb -0.13 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 1r56 s ARG 176 CO -0.12 -0.49 0.72 0.42 -1.08 0.00 0.00 175.30 174.74 1r56 s ILE 177 N -4.07 4.90 -0.21 4.99 1.01 -1.26 -3.81 121.20 122.74 1r56 s ILE 177 Ca 0.29 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.44 1r56 s ILE 177 Cb 0.03 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1r56 s ILE 177 CO 0.09 0.32 -0.13 -0.22 0.00 0.00 0.00 174.94 174.99 1r56 s LEU 178 N 0.33 2.68 -0.02 2.97 2.96 -0.50 -4.84 118.68 122.26 1r56 s LEU 178 Ca 0.37 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1r56 s LEU 178 Cb -0.19 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1r56 s LEU 178 CO 0.20 -0.06 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.53 1r56 s SER 179 N 1.30 1.14 0.09 3.68 0.15 -1.26 -0.19 113.70 118.61 1r56 s SER 179 Ca 0.02 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.29 1r56 s SER 179 Cb -0.15 -0.31 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1r56 s SER 179 CO -0.08 0.06 0.50 0.28 1.20 0.00 0.00 173.24 175.19 1r56 s THR 180 N 0.20 0.04 -0.11 6.45 -1.32 -0.78 -0.53 115.64 119.60 1r56 s THR 180 Ca -0.03 -0.30 -0.10 0.00 -1.21 0.00 0.00 61.69 60.06 1r56 s THR 180 Cb -0.08 -1.03 -0.05 0.00 -1.51 0.00 0.00 72.50 69.83 1r56 s THR 180 CO 0.00 -0.16 0.20 -1.81 -2.21 0.00 0.00 174.62 170.64 1r56 s ASP 181 N -2.32 6.45 -0.14 8.08 1.01 -1.21 -1.83 116.67 126.71 1r56 s ASP 181 Ca -0.02 0.54 -0.04 0.00 0.71 0.00 0.00 52.55 53.73 1r56 s ASP 181 Cb -0.00 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 1r56 s ASP 181 CO -0.06 0.33 0.01 -0.69 0.21 0.00 0.00 175.17 174.97 1r56 s VAL 182 N -0.71 4.32 -0.20 -1.27 1.01 0.20 -3.54 120.40 120.20 1r56 s VAL 182 Ca 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1r56 s VAL 182 Cb -0.13 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1r56 s VAL 182 CO 0.05 0.52 -0.08 -0.62 0.00 0.00 0.00 175.10 174.97 1r56 s ASP 183 N -0.04 3.40 -0.09 3.32 -1.08 -0.92 -3.38 116.67 117.87 1r56 s ASP 183 Ca 0.04 -0.91 0.02 0.00 -0.52 0.00 0.00 52.55 51.17 1r56 s ASP 183 Cb -0.13 -1.17 0.02 0.00 -1.46 0.00 0.00 42.92 40.18 1r56 s ASP 183 CO 0.02 -0.17 -0.13 0.00 0.52 0.00 0.00 175.17 175.41 1r56 s ALA 184 N 1.44 1.48 -0.09 3.66 0.00 -0.84 -0.76 121.76 126.64 1r56 s ALA 184 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1r56 s ALA 184 Cb -0.17 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1r56 s ALA 184 CO -0.08 -0.06 -0.16 0.99 0.00 0.00 0.00 175.76 176.46 1r56 s THR 185 N 0.98 1.47 -0.18 0.00 2.01 0.09 -1.21 115.64 118.80 1r56 s THR 185 Ca -0.08 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1r56 s THR 185 Cb -0.15 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 1r56 s THR 185 CO -0.01 0.43 -0.12 -1.66 -0.69 0.00 0.00 174.62 172.57 1r56 s TRP 186 N 0.75 2.84 -0.30 4.92 -2.14 0.77 0.58 118.94 126.37 1r56 s TRP 186 Ca -0.12 -1.11 -0.14 0.00 2.66 0.00 0.00 56.10 57.39 1r56 s TRP 186 Cb -0.16 -1.96 -0.03 0.00 -3.10 0.00 0.00 33.47 28.22 1r56 s TRP 186 CO 0.02 -0.55 0.34 -1.14 -2.66 0.00 0.00 176.95 172.96 1r56 s GLN 187 N 1.10 3.84 0.56 3.25 0.74 -0.33 -1.11 119.66 127.71 1r56 s GLN 187 Ca 0.00 -0.18 -0.16 0.00 0.05 0.00 0.00 55.36 55.07 1r56 s GLN 187 Cb -0.14 -3.71 -0.06 0.00 1.10 0.00 0.00 33.01 30.20 1r56 s GLN 187 CO -0.04 -0.35 1.03 -1.58 -0.55 0.00 0.00 175.29 173.80 1r56 s TRP 188 N 2.01 3.14 0.54 1.67 0.52 -0.76 -0.82 118.94 125.25 1r56 s TRP 188 Ca 0.13 1.50 -0.21 0.00 0.02 0.00 0.00 56.10 57.54 1r56 s TRP 188 Cb -0.16 -2.94 -0.05 0.00 -1.15 0.00 0.00 33.47 29.17 1r56 s TRP 188 CO 0.11 -0.84 1.25 -1.59 0.02 0.00 0.00 176.95 175.90 1r56 s LYS 189 N -3.99 3.27 0.25 4.98 0.00 0.13 -4.60 119.74 119.78 1r56 s LYS 189 Ca 0.62 1.95 -0.30 0.00 0.00 0.00 0.00 55.97 58.24 1r56 s LYS 189 Cb -0.14 -2.18 -0.14 0.00 0.00 0.00 0.00 37.83 35.37 1r56 s LYS 189 CO 0.33 -1.00 1.22 -1.71 0.00 0.00 0.00 175.35 174.19 1r56 n ASN 190 N -1.07 1.99 -4.79 0.03 2.85 -1.26 -4.83 115.26 108.18 1r56 n ASN 190 Ca 0.11 1.16 -0.31 0.00 -0.11 0.00 0.00 54.58 55.43 1r56 n ASN 190 Cb 0.48 -1.34 -0.06 0.00 1.24 0.00 0.00 39.78 40.09 1r56 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r56 s PHE 191 N -0.53 3.26 0.25 1.20 0.08 -0.59 -4.95 117.98 116.71 1r56 s PHE 191 Ca 0.65 0.13 0.20 0.00 0.12 0.00 0.00 56.93 58.04 1r56 s PHE 191 Cb -0.70 -1.67 0.90 0.00 -0.57 0.00 0.00 43.02 40.98 1r56 s PHE 191 CO 0.55 0.54 1.84 0.66 -0.10 0.00 0.00 175.22 178.71 1r56 h SER 192 N 3.51 0.00 0.00 1.36 4.64 -1.94 -1.48 113.55 119.64 1r56 h SER 192 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1r56 h SER 192 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1r56 h SER 192 CO 0.66 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1r56 n GLY 193 N -0.11 -1.45 0.25 -0.77 0.00 -1.26 -4.42 105.19 97.43 1r56 n GLY 193 Ca -0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 1r56 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r56 h LEU 194 N 0.00 0.71 -1.15 0.99 5.85 -1.93 -1.76 115.31 118.01 1r56 h LEU 194 Ca 0.00 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1r56 h LEU 194 Cb 0.00 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1r56 h LEU 194 CO 0.00 0.53 0.58 -0.61 -0.34 0.00 0.00 178.44 178.60 1r56 h GLN 195 N 0.82 1.12 -0.43 1.25 5.75 -1.99 0.11 115.11 121.74 1r56 h GLN 195 Ca 0.22 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.59 1r56 h GLN 195 Cb -0.07 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.21 1r56 h GLN 195 CO -0.05 0.74 0.02 1.49 -2.65 0.00 0.00 178.83 178.39 1r56 h GLU 196 N 1.15 0.75 -0.78 1.69 4.81 -1.83 -2.08 114.58 118.30 1r56 h GLU 196 Ca 0.33 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1r56 h GLU 196 Cb -0.08 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1r56 h GLU 196 CO -0.08 0.81 0.51 0.28 -0.73 0.00 0.00 179.01 179.79 1r56 h VAL 197 N 0.59 1.20 -0.59 0.32 2.07 -0.44 -1.49 116.25 117.92 1r56 h VAL 197 Ca 0.13 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1r56 h VAL 197 Cb 0.45 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1r56 h VAL 197 CO 0.02 0.20 0.39 0.03 0.02 0.00 0.00 177.57 178.23 1r56 h ARG 198 N 1.05 0.53 0.00 1.57 3.08 -0.44 -1.73 114.38 118.43 1r56 h ARG 198 Ca 0.28 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1r56 h ARG 198 Cb -0.11 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1r56 h ARG 198 CO -0.06 0.35 0.00 0.66 -1.07 0.00 0.00 179.97 179.85 1r56 h SER 199 N 0.54 0.00 -0.43 7.04 4.64 -0.59 -3.13 113.55 121.62 1r56 h SER 199 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1r56 h SER 199 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1r56 h SER 199 CO -0.07 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.30 1r56 n HIS 200 N -2.83 0.56 -0.29 4.77 8.25 -0.66 -4.76 115.22 120.26 1r56 n HIS 200 Ca 0.03 -0.28 -0.01 0.00 -0.26 0.00 0.00 57.72 57.20 1r56 n HIS 200 Cb 0.40 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.54 1r56 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r56 n VAL 201 N 1.33 -0.40 0.32 1.59 0.31 -1.16 -0.65 118.33 119.68 1r56 n VAL 201 Ca 0.20 1.76 0.21 0.00 -0.01 0.00 0.00 64.34 66.49 1r56 n VAL 201 Cb 0.56 -2.32 1.09 0.00 -0.91 0.00 0.00 33.84 32.26 1r56 n VAL 201 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1r56 h PRO 202 N 0.00 0.00 0.00 5.55 0.11 -1.89 -2.32 132.00 133.45 1r56 h PRO 202 Ca 0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 1r56 h PRO 202 Cb 0.45 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1r56 h PRO 202 CO -0.74 0.01 -0.22 0.87 -0.21 0.00 0.00 178.00 177.70 1r56 h LYS 203 N 0.00 0.00 -0.02 1.05 1.57 -1.27 -3.28 116.57 114.63 1r56 h LYS 203 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1r56 h LYS 203 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1r56 h LYS 203 CO 0.00 0.22 -0.03 0.74 -0.57 0.00 0.00 179.45 179.82 1r56 h PHE 204 N 0.00 0.07 -0.21 -1.35 0.04 -1.54 -1.38 116.94 112.57 1r56 h PHE 204 Ca -0.00 -0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.56 1r56 h PHE 204 Cb 0.69 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1r56 h PHE 204 CO 0.00 0.56 -0.62 -0.44 -0.60 0.00 0.00 178.31 177.21 1r56 h ASP 205 N -0.44 0.82 -0.47 2.17 5.19 -1.76 -2.86 116.42 119.07 1r56 h ASP 205 Ca 0.00 -0.47 -0.09 0.00 -0.62 0.00 0.00 57.03 55.86 1r56 h ASP 205 Cb 0.55 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1r56 h ASP 205 CO 0.01 1.24 -0.02 0.00 -3.12 0.00 0.00 179.24 177.34 1r56 h ALA 206 N 0.77 0.97 0.00 3.45 0.00 -1.61 -1.78 119.26 121.06 1r56 h ALA 206 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1r56 h ALA 206 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1r56 h ALA 206 CO 0.13 0.62 -0.41 1.15 0.00 0.00 0.00 179.25 180.74 1r56 h THR 207 N 0.84 1.01 -0.21 0.00 2.02 -1.18 -2.37 112.91 113.01 1r56 h THR 207 Ca 0.15 -1.55 -0.20 0.00 0.77 0.00 0.00 66.41 65.58 1r56 h THR 207 Cb 0.53 1.91 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1r56 h THR 207 CO 0.03 0.40 -0.65 -0.25 0.37 0.00 0.00 175.52 175.41 1r56 h TRP 208 N 0.00 1.07 -0.77 3.16 7.01 -1.25 -1.19 115.95 123.99 1r56 h TRP 208 Ca -0.00 -0.43 -0.02 0.00 2.11 0.00 0.00 58.89 60.55 1r56 h TRP 208 Cb 0.88 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 1r56 h TRP 208 CO 0.00 1.26 0.40 0.00 -2.79 0.00 0.00 178.44 177.31 1r56 h ALA 209 N 0.60 0.98 -0.33 2.65 0.00 -1.23 -0.29 119.26 121.65 1r56 h ALA 209 Ca -0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1r56 h ALA 209 Cb 1.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1r56 h ALA 209 CO 0.14 0.51 -0.10 1.15 0.00 0.00 0.00 179.25 180.95 1r56 h THR 210 N 1.07 1.28 -0.55 0.00 2.02 -1.31 -1.19 112.91 114.23 1r56 h THR 210 Ca 0.27 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1r56 h THR 210 Cb 0.06 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1r56 h THR 210 CO -0.04 0.38 0.02 0.00 0.37 0.00 0.00 175.52 176.25 1r56 h ALA 211 N 0.80 1.00 -0.10 6.16 0.00 -0.83 -1.30 119.26 124.99 1r56 h ALA 211 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1r56 h ALA 211 Cb 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r56 h ALA 211 CO 0.04 0.62 0.00 -0.09 0.00 0.00 0.00 179.25 179.81 1r56 h ARG 212 N 0.86 0.18 0.15 0.00 2.43 -0.95 -2.09 114.38 114.95 1r56 h ARG 212 Ca 0.16 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1r56 h ARG 212 Cb 0.48 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1r56 h ARG 212 CO 0.02 0.43 -0.07 1.49 -1.51 0.00 0.00 179.97 180.33 1r56 h GLU 213 N -0.10 -0.19 -0.89 0.20 4.81 -1.13 -1.77 114.58 115.51 1r56 h GLU 213 Ca 0.03 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1r56 h GLU 213 Cb 0.35 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1r56 h GLU 213 CO 0.01 -0.06 0.58 0.28 -0.73 0.00 0.00 179.01 179.08 1r56 h VAL 214 N -0.28 1.04 0.13 0.32 2.07 -1.29 -1.14 116.25 117.10 1r56 h VAL 214 Ca -0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1r56 h VAL 214 Cb 0.22 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1r56 h VAL 214 CO 0.03 0.18 -0.06 0.74 0.02 0.00 0.00 177.57 178.48 1r56 h THR 215 N 0.98 0.96 -0.11 2.57 2.02 -1.06 -1.23 112.91 117.03 1r56 h THR 215 Ca 0.39 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1r56 h THR 215 Cb 0.25 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1r56 h THR 215 CO -0.15 0.09 0.01 -0.07 0.37 0.00 0.00 175.52 175.77 1r56 h LEU 216 N -0.35 0.18 -0.45 2.58 4.07 -1.12 -1.82 115.31 118.40 1r56 h LEU 216 Ca -0.02 -0.28 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 1r56 h LEU 216 Cb 0.28 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1r56 h LEU 216 CO 0.03 0.42 0.20 0.50 -1.08 0.00 0.00 178.44 178.50 1r56 h LYS 217 N -0.06 0.66 -0.38 1.13 3.64 -1.26 -1.73 116.57 118.58 1r56 h LYS 217 Ca 0.03 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 1r56 h LYS 217 Cb 0.32 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1r56 h LYS 217 CO 0.00 0.58 -0.18 1.15 -2.27 0.00 0.00 179.45 178.74 1r56 h THR 218 N 0.58 1.26 0.11 1.00 2.02 -1.24 -0.31 112.91 116.34 1r56 h THR 218 Ca 0.15 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1r56 h THR 218 Cb 0.16 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1r56 h THR 218 CO -0.02 0.41 -0.05 0.15 0.37 0.00 0.00 175.52 176.38 1r56 h PHE 219 N 0.63 -0.14 -0.09 3.16 3.57 -1.21 -1.86 116.94 121.00 1r56 h PHE 219 Ca 0.10 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1r56 h PHE 219 Cb 0.65 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1r56 h PHE 219 CO 0.03 0.09 -0.26 0.00 -2.23 0.00 0.00 178.31 175.94 1r56 h ALA 220 N 0.51 1.41 0.00 2.41 0.00 -1.23 -3.31 119.26 119.05 1r56 h ALA 220 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1r56 h ALA 220 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1r56 h ALA 220 CO 0.03 0.42 -1.78 0.39 0.00 0.00 0.00 179.25 178.31 1r56 n GLU 221 N -4.18 0.65 -2.43 0.00 1.02 -0.13 -4.94 120.64 110.62 1r56 n GLU 221 Ca -0.01 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1r56 n GLU 221 Cb 0.35 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1r56 n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1r56 s ASP 222 N -5.04 7.07 -0.68 1.62 2.15 -0.70 -4.97 116.67 116.11 1r56 s ASP 222 Ca -0.06 1.94 -0.09 0.00 0.43 0.00 0.00 52.55 54.78 1r56 s ASP 222 Cb 0.11 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 1r56 s ASP 222 CO 0.86 -0.51 0.56 0.21 -0.17 0.00 0.00 175.17 176.12 1r56 s ASN 223 N 1.24 5.96 0.18 -0.34 3.84 -1.26 -4.85 114.94 119.71 1r56 s ASN 223 Ca 0.58 -2.61 0.09 0.00 0.21 0.00 0.00 52.86 51.12 1r56 s ASN 223 Cb -0.28 -2.03 -0.04 0.00 -0.55 0.00 0.00 41.25 38.35 1r56 s ASN 223 CO 0.27 -0.52 -0.18 -0.55 -2.79 0.00 0.00 177.10 173.33 1r56 s SER 224 N 1.68 2.71 -0.01 -4.21 0.15 -1.26 -4.99 113.70 107.78 1r56 s SER 224 Ca 0.15 -0.90 0.19 0.00 0.70 0.00 0.00 55.95 56.09 1r56 s SER 224 Cb -0.17 -0.16 0.55 0.00 -1.71 0.00 0.00 66.02 64.52 1r56 s SER 224 CO -0.05 -0.06 1.46 0.00 1.20 0.00 0.00 173.24 175.79 1r56 n ALA 225 N 0.12 2.37 -3.66 5.45 0.00 -1.26 -1.57 120.51 121.96 1r56 n ALA 225 Ca -0.12 -1.29 -0.23 0.00 0.00 0.00 0.00 53.44 51.80 1r56 n ALA 225 Cb 0.58 -0.78 -0.17 0.00 0.00 0.00 0.00 19.45 19.09 1r56 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r56 s SER 226 N -1.01 1.48 0.04 0.00 0.15 -1.26 -4.37 113.70 108.73 1r56 s SER 226 Ca 0.41 -0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 1r56 s SER 226 Cb 0.22 -0.61 -0.32 0.00 -1.71 0.00 0.00 66.02 63.60 1r56 s SER 226 CO 0.27 -0.07 1.02 0.58 1.20 0.00 0.00 173.24 176.25 1r56 h VAL 227 N 6.14 1.34 -0.75 4.45 2.07 -1.91 -3.07 116.25 124.51 1r56 h VAL 227 Ca -0.32 -2.85 0.15 0.00 0.82 0.00 0.00 66.70 64.50 1r56 h VAL 227 Cb 1.15 2.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.83 1r56 h VAL 227 CO 0.43 0.85 0.50 1.56 0.02 0.00 0.00 177.57 180.93 1r56 h GLN 228 N 0.11 0.40 0.00 1.57 7.50 -1.99 -0.62 115.11 122.08 1r56 h GLN 228 Ca -0.21 -0.02 -0.21 0.00 0.50 0.00 0.00 58.65 58.71 1r56 h GLN 228 Cb 2.07 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 29.48 1r56 h GLN 228 CO 0.23 0.27 -1.34 0.00 -1.50 0.00 0.00 178.83 176.49 1r56 h ALA 229 N 1.65 0.66 -0.20 3.87 0.00 -1.99 -2.95 119.26 120.30 1r56 h ALA 229 Ca 0.37 -1.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 1r56 h ALA 229 Cb 0.84 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r56 h ALA 229 CO -0.12 1.15 -0.57 1.15 0.00 0.00 0.00 179.25 180.86 1r56 h THR 230 N 0.00 1.31 -0.04 0.00 2.02 -1.06 -2.79 112.91 112.34 1r56 h THR 230 Ca -0.16 -1.81 -0.24 0.00 0.77 0.00 0.00 66.41 64.96 1r56 h THR 230 Cb 1.73 1.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1r56 h THR 230 CO 0.07 0.57 -0.93 0.00 0.37 0.00 0.00 175.52 175.60 1r56 h MET 231 N 0.48 0.64 -0.94 6.66 -0.00 -1.35 -2.69 114.93 117.73 1r56 h MET 231 Ca 0.00 -0.63 0.09 0.00 -0.00 0.00 0.00 59.70 59.17 1r56 h MET 231 Cb 1.14 0.16 -0.08 0.00 -0.00 0.00 0.00 31.60 32.83 1r56 h MET 231 CO 0.11 1.23 0.58 -0.92 -0.00 0.00 0.00 176.91 177.92 1r56 h TYR 232 N 0.39 1.06 -0.19 -0.10 3.20 -1.56 -0.33 116.97 119.44 1r56 h TYR 232 Ca -0.09 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 1r56 h TYR 232 Cb 1.57 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1r56 h TYR 232 CO 0.08 0.47 -0.30 0.87 -1.64 0.00 0.00 178.16 177.64 1r56 h LYS 233 N 0.98 0.37 -0.11 1.82 1.57 -1.32 -1.42 116.57 118.45 1r56 h LYS 233 Ca 0.44 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1r56 h LYS 233 Cb 0.35 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1r56 h LYS 233 CO -0.23 0.63 -0.01 0.52 -0.57 0.00 0.00 179.45 179.80 1r56 h MET 234 N 0.32 0.20 -0.04 3.15 2.86 -0.84 -2.76 114.93 117.83 1r56 h MET 234 Ca 0.04 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1r56 h MET 234 Cb 0.69 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1r56 h MET 234 CO 0.05 0.46 -0.11 0.00 1.06 0.00 0.00 176.91 178.38 1r56 h ALA 235 N 0.73 -0.09 -0.55 6.32 0.00 -0.89 -2.17 119.26 122.62 1r56 h ALA 235 Ca 0.03 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1r56 h ALA 235 Cb 0.38 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1r56 h ALA 235 CO 0.01 -0.59 0.13 0.93 0.00 0.00 0.00 179.25 179.73 1r56 h GLU 236 N -0.17 0.27 -0.41 0.00 5.08 -1.31 0.65 114.58 118.69 1r56 h GLU 236 Ca 0.05 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1r56 h GLU 236 Cb 0.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1r56 h GLU 236 CO -0.13 0.18 0.10 1.96 -1.00 0.00 0.00 179.01 180.11 1r56 h GLN 237 N 0.28 0.61 -0.14 2.33 4.20 -1.16 -1.50 115.11 119.72 1r56 h GLN 237 Ca 0.28 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 1r56 h GLN 237 Cb 0.38 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1r56 h GLN 237 CO -0.34 0.56 -0.25 0.82 -0.67 0.00 0.00 178.83 178.94 1r56 h ILE 238 N 0.59 1.37 -0.71 2.54 2.04 -0.48 -2.33 117.51 120.53 1r56 h ILE 238 Ca 0.14 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.54 1r56 h ILE 238 Cb 0.22 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1r56 h ILE 238 CO -0.00 0.44 0.47 -0.07 0.00 0.00 0.00 178.15 178.99 1r56 h LEU 239 N 0.02 0.72 -0.36 1.44 3.38 -0.79 -2.49 115.31 117.22 1r56 h LEU 239 Ca 0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1r56 h LEU 239 Cb 0.83 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1r56 h LEU 239 CO 0.06 0.49 -0.32 0.00 0.09 0.00 0.00 178.44 178.75 1r56 h ALA 240 N 1.59 0.52 -0.00 1.53 0.00 -1.21 -3.26 119.26 118.44 1r56 h ALA 240 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1r56 h ALA 240 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r56 h ALA 240 CO -0.09 0.58 -0.03 0.54 0.00 0.00 0.00 179.25 180.26 1r56 n ARG 241 N -4.15 0.44 -3.35 0.00 1.74 -0.88 -4.69 116.66 105.76 1r56 n ARG 241 Ca -0.03 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 1r56 n ARG 241 Cb 0.50 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 1r56 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r56 s GLN 242 N -2.58 0.36 0.43 5.56 2.00 -1.14 -5.03 119.66 119.25 1r56 s GLN 242 Ca 0.28 0.33 0.22 0.00 -2.00 0.00 0.00 55.36 54.19 1r56 s GLN 242 Cb 0.20 -0.49 0.91 0.00 0.80 0.00 0.00 33.01 34.43 1r56 s GLN 242 CO 0.47 -0.79 1.83 0.37 -0.50 0.00 0.00 175.29 176.67 1r56 h GLN 243 N 8.19 0.00 0.00 1.67 5.75 -1.84 -2.96 115.11 125.92 1r56 h GLN 243 Ca -0.16 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1r56 h GLN 243 Cb 1.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1r56 h GLN 243 CO 0.28 0.27 0.00 1.28 -2.65 0.00 0.00 178.83 178.00 1r56 n LEU 244 N -3.51 0.28 -4.75 -2.39 4.32 -1.26 -4.74 117.00 104.96 1r56 n LEU 244 Ca -0.00 0.54 -0.40 0.00 -0.02 0.00 0.00 56.01 56.12 1r56 n LEU 244 Cb 0.43 -0.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.71 1r56 n LEU 244 CO 0.34 -0.18 0.58 -0.63 -1.22 0.00 0.00 177.39 176.28 1r56 s ILE 245 N -3.07 4.45 -0.25 -0.08 -1.09 -1.12 -0.70 121.20 119.35 1r56 s ILE 245 Ca 0.10 1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 60.41 1r56 s ILE 245 Cb 0.14 -4.24 -0.17 0.00 -1.58 0.00 0.00 42.46 36.61 1r56 s ILE 245 CO 0.46 0.40 -0.19 -0.62 -1.23 0.00 0.00 174.94 173.76 1r56 n GLU 246 N 2.32 0.65 -3.92 2.79 1.02 0.00 -4.87 120.64 118.64 1r56 n GLU 246 Ca -0.01 0.17 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1r56 n GLU 246 Cb 0.49 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1r56 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1r56 s THR 247 N -2.52 0.11 0.03 2.62 -4.23 -1.20 -3.52 115.64 106.94 1r56 s THR 247 Ca -0.34 -0.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1r56 s THR 247 Cb 0.09 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.24 1r56 s THR 247 CO 0.60 -0.52 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.22 1r56 s VAL 248 N -2.07 2.05 -0.04 2.29 1.01 -0.33 -1.19 120.40 122.12 1r56 s VAL 248 Ca -0.10 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.58 1r56 s VAL 248 Cb -0.04 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1r56 s VAL 248 CO -0.02 0.38 -0.05 -0.70 0.00 0.00 0.00 175.10 174.70 1r56 s GLU 249 N -1.13 0.82 -0.01 2.72 2.12 0.20 -1.40 118.70 122.03 1r56 s GLU 249 Ca 0.11 -0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.37 1r56 s GLU 249 Cb -0.10 -0.81 -0.02 0.00 0.26 0.00 0.00 34.13 33.46 1r56 s GLU 249 CO 0.02 -0.03 -0.24 0.71 -0.54 0.00 0.00 175.26 175.17 1r56 s TYR 250 N 0.70 2.14 -0.17 5.30 2.02 0.30 -0.73 117.35 126.90 1r56 s TYR 250 Ca -0.10 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 1r56 s TYR 250 Cb -0.13 -1.36 0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1r56 s TYR 250 CO 0.00 -0.01 0.04 0.45 -1.57 0.00 0.00 175.55 174.46 1r56 s SER 251 N -0.67 2.63 -0.29 2.29 0.15 0.06 -1.37 113.70 116.50 1r56 s SER 251 Ca 0.09 -0.68 0.01 0.00 0.70 0.00 0.00 55.95 56.08 1r56 s SER 251 Cb -0.09 -0.53 0.06 0.00 -1.71 0.00 0.00 66.02 63.75 1r56 s SER 251 CO -0.00 -0.29 -0.05 -0.76 1.20 0.00 0.00 173.24 173.34 1r56 s LEU 252 N 1.91 3.80 -0.59 3.45 1.43 -0.35 -2.17 118.68 126.16 1r56 s LEU 252 Ca 0.00 -1.46 -0.17 0.00 -1.03 0.00 0.00 54.13 51.47 1r56 s LEU 252 Cb -0.16 -1.62 0.12 0.00 0.03 0.00 0.00 46.19 44.56 1r56 s LEU 252 CO -0.08 -0.25 0.63 -2.84 0.23 0.00 0.00 176.35 174.05 1r56 s PRO 253 N 1.13 3.07 0.64 1.29 0.02 -1.23 -1.46 135.00 138.46 1r56 s PRO 253 Ca -0.05 -1.59 -0.17 0.00 0.02 0.00 0.00 61.00 59.21 1r56 s PRO 253 Cb -0.20 -4.31 -0.10 0.00 0.02 0.00 0.00 34.50 29.91 1r56 s PRO 253 CO -0.04 -1.44 0.15 0.09 -0.33 0.00 0.00 177.00 175.43 1r56 n ASN 254 N 5.69 -2.57 -3.74 2.53 5.03 0.33 -3.33 115.26 119.20 1r56 n ASN 254 Ca -0.09 0.60 -0.27 0.00 0.87 0.00 0.00 54.58 55.69 1r56 n ASN 254 Cb 0.42 -1.03 -0.17 0.00 -1.02 0.00 0.00 39.78 37.99 1r56 n ASN 254 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1r56 s LYS 255 N -1.91 0.67 0.20 3.52 1.02 0.31 -4.22 119.74 119.35 1r56 s LYS 255 Ca 0.60 -0.40 -0.27 0.00 0.02 0.00 0.00 55.97 55.91 1r56 s LYS 255 Cb -0.40 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 34.76 1r56 s LYS 255 CO 0.63 -0.62 0.86 -1.01 -0.92 0.00 0.00 175.35 174.28 1r56 s HIS 256 N 1.85 3.94 -0.30 3.18 3.76 -1.26 -4.16 115.29 122.31 1r56 s HIS 256 Ca -0.01 1.77 0.03 0.00 -0.15 0.00 0.00 55.06 56.71 1r56 s HIS 256 Cb -0.17 -2.87 0.08 0.00 1.11 0.00 0.00 32.58 30.73 1r56 s HIS 256 CO -0.08 0.48 -0.03 0.71 -0.85 0.00 0.00 174.74 174.97 1r56 s TYR 257 N -1.18 3.43 0.31 1.40 1.51 -1.26 -0.20 117.35 121.36 1r56 s TYR 257 Ca 0.39 -2.60 -0.25 0.00 -1.01 0.00 0.00 57.07 53.59 1r56 s TYR 257 Cb -0.24 -2.37 -0.10 0.00 -0.11 0.00 0.00 41.96 39.14 1r56 s TYR 257 CO 0.29 -0.91 0.90 -0.06 -1.11 0.00 0.00 175.55 174.66 1r56 s PHE 258 N 1.03 3.67 0.39 2.71 0.08 -0.23 -4.82 117.98 120.81 1r56 s PHE 258 Ca 0.01 1.70 -0.25 0.00 0.12 0.00 0.00 56.93 58.51 1r56 s PHE 258 Cb -0.19 -2.86 -0.09 0.00 -0.57 0.00 0.00 43.02 39.31 1r56 s PHE 258 CO -0.07 0.22 1.12 -1.21 -0.10 0.00 0.00 175.22 175.18 1r56 s GLU 259 N -2.08 4.15 -0.24 0.44 2.02 -1.26 -0.77 118.70 120.95 1r56 s GLU 259 Ca 0.49 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.21 1r56 s GLU 259 Cb -0.18 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.41 1r56 s GLU 259 CO 0.23 -0.21 -0.11 0.42 0.02 0.00 0.00 175.26 175.61 1r56 s ILE 260 N -1.47 2.45 -0.45 -1.63 1.01 -1.26 -4.83 121.20 115.03 1r56 s ILE 260 Ca 0.56 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 1r56 s ILE 260 Cb -0.28 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1r56 s ILE 260 CO 0.35 0.21 1.10 -0.62 0.00 0.00 0.00 174.94 175.97 1r56 s ASP 261 N 1.24 6.67 0.00 3.58 -1.08 -1.26 -4.63 116.67 121.19 1r56 s ASP 261 Ca -0.02 0.53 0.20 0.00 -0.52 0.00 0.00 52.55 52.75 1r56 s ASP 261 Cb -0.17 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.09 1r56 s ASP 261 CO -0.07 -1.16 1.29 0.18 0.52 0.00 0.00 175.17 175.93 1r56 n LEU 262 N 7.57 3.13 -0.32 -1.34 4.77 -1.26 -4.67 117.00 124.88 1r56 n LEU 262 Ca 0.11 -1.43 0.28 0.00 -0.03 0.00 0.00 56.01 54.94 1r56 n LEU 262 Cb 0.49 -0.18 0.60 0.00 -2.33 0.00 0.00 43.42 42.00 1r56 n LEU 262 CO 0.68 0.66 1.26 0.77 -1.33 0.00 0.00 177.39 179.43 1r56 h SER 263 N 3.89 0.27 0.07 -1.43 4.64 -1.78 0.25 113.55 119.46 1r56 h SER 263 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1r56 h SER 263 Cb 0.88 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1r56 h SER 263 CO 0.00 0.04 0.00 -2.67 -0.87 0.00 0.00 176.83 173.33 1r56 n TRP 264 N -4.47 0.00 -3.96 4.77 4.27 -1.26 -1.85 117.44 114.94 1r56 n TRP 264 Ca 0.26 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.55 1r56 n TRP 264 Cb 1.03 -0.35 -0.14 0.00 -1.36 0.00 0.00 31.31 30.49 1r56 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1r56 s HIS 265 N -2.71 3.64 -1.41 -2.67 5.04 0.87 -4.67 115.29 113.38 1r56 s HIS 265 Ca 0.02 -2.93 -0.06 0.00 -1.54 0.00 0.00 55.06 50.55 1r56 s HIS 265 Cb 0.02 -2.97 0.03 0.00 0.04 0.00 0.00 32.58 29.70 1r56 s HIS 265 CO 0.05 -0.92 0.49 1.63 -2.34 0.00 0.00 174.74 173.66 1r56 n LYS 266 N 4.11 -3.98 -4.08 2.88 5.02 -1.26 -1.63 118.16 119.23 1r56 n LYS 266 Ca 0.03 0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 56.71 1r56 n LYS 266 Cb 0.40 -5.48 -0.01 0.00 -0.02 0.00 0.00 35.03 29.92 1r56 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 267 N -1.31 -0.38 3.72 0.72 0.00 -0.77 -4.90 105.19 102.27 1r56 n GLY 267 Ca -0.08 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1r56 n GLY 267 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r56 s LEU 268 N -7.17 4.37 -0.37 0.99 2.96 -0.65 -4.86 118.68 113.96 1r56 s LEU 268 Ca 0.49 2.52 -0.16 0.00 -0.22 0.00 0.00 54.13 56.76 1r56 s LEU 268 Cb -0.26 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.84 1r56 s LEU 268 CO 0.90 -0.76 0.40 -1.10 -1.32 0.00 0.00 176.35 174.47 1r56 s GLN 269 N 1.01 3.42 -0.07 1.98 -1.52 -1.26 -2.25 119.66 120.97 1r56 s GLN 269 Ca 0.67 -0.50 0.19 0.00 -1.95 0.00 0.00 55.36 53.78 1r56 s GLN 269 Cb -0.41 -3.86 0.35 0.00 -0.22 0.00 0.00 33.01 28.87 1r56 s GLN 269 CO 0.32 -0.64 1.15 -1.71 -0.25 0.00 0.00 175.29 174.15 1r56 n ASN 270 N 5.50 0.50 -4.32 5.90 5.15 -1.26 -4.77 115.26 121.96 1r56 n ASN 270 Ca -0.08 -2.02 -0.20 0.00 -0.60 0.00 0.00 54.58 51.68 1r56 n ASN 270 Cb 0.49 -0.13 -0.11 0.00 -0.53 0.00 0.00 39.78 39.49 1r56 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1r56 s THR 271 N -0.68 1.72 0.00 -0.44 -4.23 -1.26 -4.06 115.64 106.70 1r56 s THR 271 Ca 0.24 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1r56 s THR 271 Cb 0.30 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1r56 s THR 271 CO -0.11 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 1r56 n GLY 272 N 0.10 2.94 0.16 3.99 0.00 -1.26 -0.10 105.19 111.02 1r56 n GLY 272 Ca -0.12 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1r56 n GLY 272 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r56 n LYS 273 N 14.00 0.11 -0.23 1.61 5.02 -1.26 -0.64 118.16 136.77 1r56 n LYS 273 Ca 0.00 0.60 0.10 0.00 -2.02 0.00 0.00 58.31 56.99 1r56 n LYS 273 Cb 0.00 -2.04 0.22 0.00 -0.02 0.00 0.00 35.03 33.20 1r56 n LYS 273 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r56 n ASN 274 N -2.14 3.39 -4.67 4.39 4.13 0.85 -4.97 115.26 116.24 1r56 n ASN 274 Ca -0.01 -1.95 -0.42 0.00 1.68 0.00 0.00 54.58 53.87 1r56 n ASN 274 Cb 0.20 -0.31 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 1r56 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r56 s ALA 275 N -1.16 3.61 0.00 5.41 0.00 0.19 -4.01 121.76 125.81 1r56 s ALA 275 Ca 0.36 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1r56 s ALA 275 Cb 0.20 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1r56 s ALA 275 CO 0.27 -1.10 0.00 0.39 0.00 0.00 0.00 175.76 175.32 1r56 n GLU 276 N 6.16 0.08 -4.23 0.00 1.02 -1.26 -4.96 120.64 117.44 1r56 n GLU 276 Ca 0.14 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 1r56 n GLU 276 Cb 0.44 -0.80 -0.14 0.00 -0.02 0.00 0.00 31.44 30.92 1r56 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r56 s VAL 277 N -1.60 3.34 0.36 2.62 1.01 -1.26 -5.11 120.40 119.76 1r56 s VAL 277 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1r56 s VAL 277 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 1r56 s VAL 277 CO 0.00 0.46 -0.01 -0.36 0.00 0.00 0.00 175.10 175.19 1r56 s PHE 278 N 0.98 2.31 -0.33 5.22 0.40 -1.26 -4.09 117.98 121.21 1r56 s PHE 278 Ca -0.00 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1r56 s PHE 278 Cb -0.15 -1.51 0.07 0.00 0.51 0.00 0.00 43.02 41.94 1r56 s PHE 278 CO 0.00 0.37 0.06 0.00 0.70 0.00 0.00 175.22 176.35 1r56 s ALA 279 N -2.85 2.92 0.21 5.36 0.00 0.05 -4.93 121.76 122.52 1r56 s ALA 279 Ca 0.34 -2.00 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 1r56 s ALA 279 Cb 0.07 -2.09 -0.11 0.00 0.00 0.00 0.00 23.12 21.00 1r56 s ALA 279 CO 0.16 -1.43 1.59 -2.14 0.00 0.00 0.00 175.76 173.94 1r56 s PRO 280 N 1.22 4.18 -0.13 0.00 0.02 -1.26 -1.07 135.00 137.97 1r56 s PRO 280 Ca -0.01 2.45 -0.10 0.00 0.02 0.00 0.00 61.00 63.37 1r56 s PRO 280 Cb -0.20 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1r56 s PRO 280 CO -0.02 -0.62 0.20 -0.65 -0.33 0.00 0.00 177.00 175.58 1r56 s GLN 281 N 0.63 3.78 0.03 5.54 -1.52 0.73 -4.92 119.66 123.91 1r56 s GLN 281 Ca 0.68 -0.04 -0.16 0.00 -1.95 0.00 0.00 55.36 53.89 1r56 s GLN 281 Cb -0.46 -3.27 -0.36 0.00 -0.22 0.00 0.00 33.01 28.70 1r56 s GLN 281 CO 0.36 0.59 0.99 0.77 -0.25 0.00 0.00 175.29 177.76 1r56 h SER 282 N 5.53 0.85 -5.03 5.90 0.02 -1.94 -3.39 113.55 115.50 1r56 h SER 282 Ca -0.50 -0.92 0.01 0.00 -0.84 0.00 0.00 61.79 59.54 1r56 h SER 282 Cb 1.20 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 63.37 1r56 h SER 282 CO 0.65 1.72 0.16 1.51 -1.14 0.00 0.00 176.83 179.72 1r56 s ASP 283 N -7.59 -0.39 1.08 3.07 1.47 -1.26 -4.84 116.67 108.21 1r56 s ASP 283 Ca -0.09 -0.32 -0.16 0.00 1.18 0.00 0.00 52.55 53.16 1r56 s ASP 283 Cb 0.04 0.63 0.23 0.00 -0.34 0.00 0.00 42.92 43.48 1r56 s ASP 283 CO 0.95 -1.10 1.13 -2.16 0.68 0.00 0.00 175.17 174.67 1r56 s PRO 284 N -3.83 -0.26 0.01 2.11 0.05 -1.26 -5.10 135.00 126.71 1r56 s PRO 284 Ca 0.06 0.09 0.01 0.00 0.05 0.00 0.00 61.00 61.21 1r56 s PRO 284 Cb -0.02 -1.69 -0.01 0.00 0.05 0.00 0.00 34.50 32.82 1r56 s PRO 284 CO -0.04 -3.10 -0.03 0.54 0.05 0.00 0.00 177.00 174.42 1r56 s ASN 285 N -3.91 0.31 0.63 6.66 4.22 -1.26 -4.72 114.94 116.87 1r56 s ASN 285 Ca 0.69 -0.18 -0.15 0.00 -2.14 0.00 0.00 52.86 51.07 1r56 s ASN 285 Cb -0.12 0.00 -0.01 0.00 1.28 0.00 0.00 41.25 42.40 1r56 s ASN 285 CO 0.56 -0.06 1.09 -0.83 -2.04 0.00 0.00 177.10 175.81 1r56 s GLY 286 N -0.49 2.14 -0.18 0.45 0.00 -1.26 -4.86 107.32 103.13 1r56 s GLY 286 Ca -0.04 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 1r56 s GLY 286 CO -0.00 0.82 0.08 -2.27 0.00 0.00 0.00 173.10 171.74 1r56 s LEU 287 N -4.72 0.51 -0.19 0.66 2.96 -1.26 -0.51 118.68 116.13 1r56 s LEU 287 Ca 0.66 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 1r56 s LEU 287 Cb -0.19 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1r56 s LEU 287 CO 0.40 -0.35 0.03 -0.63 -1.32 0.00 0.00 176.35 174.48 1r56 s ILE 288 N 2.09 4.36 0.23 6.68 1.09 -0.54 -4.98 121.20 130.13 1r56 s ILE 288 Ca 0.02 -0.18 0.11 0.00 -1.10 0.00 0.00 60.65 59.50 1r56 s ILE 288 Cb -0.16 -2.97 -0.05 0.00 -1.06 0.00 0.00 42.46 38.23 1r56 s ILE 288 CO -0.10 0.44 -0.21 -0.54 -0.10 0.00 0.00 174.94 174.43 1r56 s LYS 289 N 0.67 1.53 -0.28 2.79 1.02 -1.26 -1.21 119.74 123.00 1r56 s LYS 289 Ca 0.01 -1.62 -0.21 0.00 0.02 0.00 0.00 55.97 54.17 1r56 s LYS 289 Cb -0.14 -1.67 0.10 0.00 -0.52 0.00 0.00 37.83 35.60 1r56 s LYS 289 CO 0.02 0.33 0.82 0.00 -0.92 0.00 0.00 175.35 175.60 1r56 s THR 291 N 0.83 1.60 -0.25 0.00 2.01 -1.26 -0.54 115.64 118.02 1r56 s THR 291 Ca -0.03 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.35 1r56 s THR 291 Cb -0.05 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1r56 s THR 291 CO -0.09 -0.28 0.35 -0.69 -0.69 0.00 0.00 174.62 173.23 1r56 s VAL 292 N 1.32 5.20 0.49 3.82 1.01 -0.49 -4.96 120.40 126.80 1r56 s VAL 292 Ca -0.00 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1r56 s VAL 292 Cb -0.19 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.56 1r56 s VAL 292 CO -0.09 0.20 0.36 0.61 0.00 0.00 0.00 175.10 176.18 1r56 n GLY 293 N 4.49 2.79 3.89 4.51 0.00 -1.26 -1.19 105.19 118.42 1r56 n GLY 293 Ca -0.09 -2.29 -0.30 0.00 0.00 0.00 0.00 46.02 43.34 1r56 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r56 s ARG 294 N -4.00 3.72 0.00 1.61 0.52 -1.23 -5.01 118.95 114.55 1r56 s ARG 294 Ca 0.27 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1r56 s ARG 294 Cb -0.02 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1r56 s ARG 294 CO 0.17 0.13 0.13 0.43 0.02 0.00 0.00 175.30 176.18