#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 4.25 -0.08 0.00 1.01 -1.26 -4.89 120.40 119.43 1r56 s VAL 3 Ca 0.00 1.41 0.14 0.00 0.00 0.00 0.00 61.98 63.53 1r56 s VAL 3 Cb 0.00 -4.26 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 1r56 s VAL 3 CO 0.00 -0.51 0.53 0.29 0.00 0.00 0.00 175.10 175.41 1r56 n LYS 4 N 7.23 0.64 -3.64 2.72 4.76 -1.26 -4.97 118.16 123.65 1r56 n LYS 4 Ca 0.14 0.23 -0.15 0.00 -2.87 0.00 0.00 58.31 55.65 1r56 n LYS 4 Cb 0.47 -1.73 -0.07 0.00 -1.84 0.00 0.00 35.03 31.86 1r56 n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r56 s ALA 5 N -2.58 -1.26 -0.14 7.82 0.00 -1.26 -5.17 121.76 119.17 1r56 s ALA 5 Ca -0.06 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 1r56 s ALA 5 Cb 0.08 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.35 1r56 s ALA 5 CO 0.83 -0.34 0.63 0.00 0.00 0.00 0.00 175.76 176.87 1r56 s ALA 6 N -1.45 -1.60 -0.08 0.00 0.00 -1.26 -5.17 121.76 112.20 1r56 s ALA 6 Ca -0.11 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1r56 s ALA 6 Cb -0.02 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.68 1r56 s ALA 6 CO 0.06 -0.33 0.73 0.50 0.00 0.00 0.00 175.76 176.72 1r56 s ARG 7 N -0.48 0.97 0.05 0.00 3.52 -1.26 -4.68 118.95 117.07 1r56 s ARG 7 Ca -0.06 0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.56 1r56 s ARG 7 Cb -0.03 0.46 0.09 0.00 -1.56 0.00 0.00 34.95 33.91 1r56 s ARG 7 CO 0.05 -0.29 0.80 1.52 -0.81 0.00 0.00 175.30 176.57 1r56 s TYR 8 N -1.08 -0.39 -2.61 5.12 1.13 -1.01 -4.90 117.35 113.61 1r56 s TYR 8 Ca -0.09 0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 1r56 s TYR 8 Cb -0.00 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 1r56 s TYR 8 CO 0.08 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 172.87 1r56 n GLY 9 N -0.30 -0.62 3.23 5.49 0.00 -1.26 0.51 105.19 112.26 1r56 n GLY 9 Ca -0.11 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.05 3.11 0.29 1.61 2.47 -0.66 -4.87 119.74 120.64 1r56 s LYS 10 Ca 0.00 -0.84 0.08 0.00 -1.56 0.00 0.00 55.97 53.66 1r56 s LYS 10 Cb 0.00 -2.40 -0.04 0.00 -1.46 0.00 0.00 37.83 33.93 1r56 s LYS 10 CO 0.00 0.13 0.12 0.34 0.16 0.00 0.00 175.35 176.10 1r56 s ASP 11 N 0.49 4.92 -1.45 1.43 2.15 -1.26 -1.42 116.67 121.52 1r56 s ASP 11 Ca -0.14 -0.56 -0.11 0.00 0.43 0.00 0.00 52.55 52.16 1r56 s ASP 11 Cb -0.17 -0.97 0.05 0.00 -0.30 0.00 0.00 42.92 41.53 1r56 s ASP 11 CO 0.05 -0.13 1.09 0.59 -0.17 0.00 0.00 175.17 176.61 1r56 n ASN 12 N -1.09 -5.59 -4.58 -0.34 3.02 -1.18 -4.92 115.26 100.57 1r56 n ASN 12 Ca -0.05 -0.66 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 1r56 n ASN 12 Cb 0.59 -4.45 -0.04 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.31 4.59 -0.03 2.41 1.01 -0.51 -4.85 120.40 119.70 1r56 s VAL 13 Ca 0.63 0.93 -0.27 0.00 0.00 0.00 0.00 61.98 63.26 1r56 s VAL 13 Cb -0.30 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1r56 s VAL 13 CO 0.78 -0.62 0.86 -0.13 0.00 0.00 0.00 175.10 175.99 1r56 s ARG 14 N 3.47 4.50 -0.03 2.72 0.52 -1.26 -0.63 118.95 128.23 1r56 s ARG 14 Ca 0.36 1.18 0.01 0.00 -0.52 0.00 0.00 55.73 56.76 1r56 s ARG 14 Cb -0.12 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.92 1r56 s ARG 14 CO 0.21 -0.01 -0.02 0.08 0.02 0.00 0.00 175.30 175.59 1r56 s VAL 15 N 0.94 0.30 -0.02 3.52 1.01 0.10 -4.99 120.40 121.26 1r56 s VAL 15 Ca 0.46 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1r56 s VAL 15 Cb -0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1r56 s VAL 15 CO 0.23 0.17 -0.23 -0.47 0.00 0.00 0.00 175.10 174.81 1r56 s TYR 16 N 0.96 2.43 -0.04 5.22 6.14 -1.26 -0.08 117.35 130.73 1r56 s TYR 16 Ca -0.11 -0.36 -0.01 0.00 0.64 0.00 0.00 57.07 57.24 1r56 s TYR 16 Cb -0.14 -1.52 0.03 0.00 0.42 0.00 0.00 41.96 40.75 1r56 s TYR 16 CO -0.01 0.04 0.07 0.21 0.64 0.00 0.00 175.55 176.51 1r56 s LYS 17 N -0.73 0.02 -0.11 4.97 2.20 0.17 -4.98 119.74 121.28 1r56 s LYS 17 Ca 0.11 0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1r56 s LYS 17 Cb -0.10 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 35.99 1r56 s LYS 17 CO -0.00 -0.15 0.01 0.54 -0.36 0.00 0.00 175.35 175.39 1r56 s VAL 18 N 1.02 4.41 -0.21 4.02 0.11 -1.26 0.09 120.40 128.57 1r56 s VAL 18 Ca -0.08 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1r56 s VAL 18 Cb -0.11 -2.89 -0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1r56 s VAL 18 CO -0.04 0.57 -0.07 -2.28 -3.33 0.00 0.00 175.10 169.95 1r56 s HIS 19 N -0.55 2.92 -0.20 1.54 2.46 0.16 -4.98 115.29 116.64 1r56 s HIS 19 Ca 0.10 -1.06 -0.06 0.00 0.47 0.00 0.00 55.06 54.51 1r56 s HIS 19 Cb -0.12 -2.07 -0.03 0.00 -0.13 0.00 0.00 32.58 30.24 1r56 s HIS 19 CO 0.02 -0.59 0.02 0.15 -2.47 0.00 0.00 174.74 171.87 1r56 s LYS 20 N 1.42 3.66 -0.32 2.88 1.02 -1.26 -0.95 119.74 126.18 1r56 s LYS 20 Ca 0.05 -0.50 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 1r56 s LYS 20 Cb -0.14 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1r56 s LYS 20 CO -0.05 0.01 0.59 0.34 -0.92 0.00 0.00 175.35 175.33 1r56 s ASP 21 N 1.01 6.43 0.15 2.83 -1.08 -0.94 -4.94 116.67 120.13 1r56 s ASP 21 Ca 0.02 0.25 -0.11 0.00 -0.52 0.00 0.00 52.55 52.19 1r56 s ASP 21 Cb -0.14 -2.31 0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1r56 s ASP 21 CO 0.02 -0.49 1.58 -0.33 0.52 0.00 0.00 175.17 176.47 1r56 h GLU 22 N 8.31 0.93 0.00 4.34 3.07 -1.96 0.34 114.58 129.61 1r56 h GLU 22 Ca -0.27 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.25 1r56 h GLU 22 Cb 1.12 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1r56 h GLU 22 CO 0.79 0.99 0.00 1.17 -1.40 0.00 0.00 179.01 180.57 1r56 n LYS 23 N -4.24 0.00 0.21 2.33 4.81 -1.26 -3.88 118.16 116.13 1r56 n LYS 23 Ca 0.01 0.41 0.10 0.00 -0.87 0.00 0.00 58.31 57.96 1r56 n LYS 23 Cb 0.37 -1.29 0.32 0.00 0.02 0.00 0.00 35.03 34.46 1r56 n LYS 23 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1r56 h THR 24 N 0.00 0.41 0.00 3.15 1.35 -1.99 -3.47 112.91 112.36 1r56 h THR 24 Ca 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1r56 h THR 24 Cb 0.00 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1r56 h THR 24 CO 0.00 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1r56 n GLY 25 N 0.62 0.70 3.70 5.82 0.00 0.12 -5.00 105.19 111.13 1r56 n GLY 25 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.89 4.85 0.10 1.61 1.01 -1.25 -4.83 120.40 119.01 1r56 s VAL 26 Ca 0.00 1.95 0.03 0.00 0.00 0.00 0.00 61.98 63.96 1r56 s VAL 26 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1r56 s VAL 26 CO 0.00 0.09 0.13 -1.10 0.00 0.00 0.00 175.10 174.21 1r56 s GLN 27 N 1.55 3.00 -0.03 2.72 -0.21 0.20 -2.21 119.66 124.69 1r56 s GLN 27 Ca 0.48 -0.70 -0.00 0.00 0.02 0.00 0.00 55.36 55.15 1r56 s GLN 27 Cb -0.19 -2.76 0.03 0.00 1.00 0.00 0.00 33.01 31.09 1r56 s GLN 27 CO 0.21 0.55 0.03 0.99 -2.12 0.00 0.00 175.29 174.95 1r56 s THR 28 N -1.53 -0.03 -0.02 -0.19 2.01 -0.13 -4.64 115.64 111.12 1r56 s THR 28 Ca 0.31 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.57 1r56 s THR 28 Cb -0.12 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1r56 s THR 28 CO 0.24 0.12 -0.08 0.68 -0.69 0.00 0.00 174.62 174.89 1r56 s VAL 29 N 1.29 3.59 -0.03 3.82 -7.23 -1.26 0.36 120.40 120.94 1r56 s VAL 29 Ca -0.06 -0.70 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 1r56 s VAL 29 Cb -0.13 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 1r56 s VAL 29 CO -0.03 0.46 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.78 1r56 s TYR 30 N -0.92 1.28 -0.01 2.82 2.02 0.11 -4.87 117.35 117.79 1r56 s TYR 30 Ca 0.15 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1r56 s TYR 30 Cb -0.11 -0.87 -0.00 0.00 -0.40 0.00 0.00 41.96 40.58 1r56 s TYR 30 CO 0.05 -0.11 -0.04 -2.00 -1.57 0.00 0.00 175.55 171.89 1r56 s GLU 31 N 0.03 0.37 0.23 -0.62 2.12 -1.26 0.42 118.70 119.99 1r56 s GLU 31 Ca -0.02 -0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.02 1r56 s GLU 31 Cb -0.09 -0.37 0.01 0.00 0.26 0.00 0.00 34.13 33.95 1r56 s GLU 31 CO 0.01 0.07 0.54 0.00 -0.54 0.00 0.00 175.26 175.34 1r56 s MET 32 N 0.02 1.52 -0.12 4.30 0.23 0.89 -1.61 119.30 124.54 1r56 s MET 32 Ca 0.00 -1.03 0.02 0.00 -1.03 0.00 0.00 55.69 53.65 1r56 s MET 32 Cb -0.03 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.80 1r56 s MET 32 CO -0.00 -0.65 -0.18 0.99 -2.03 0.00 0.00 175.02 173.14 1r56 s THR 33 N -3.94 1.73 0.06 3.16 2.01 0.42 -0.72 115.64 118.36 1r56 s THR 33 Ca 0.14 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.43 1r56 s THR 33 Cb -0.02 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1r56 s THR 33 CO 0.03 0.49 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1r56 s VAL 34 N 0.87 2.80 -0.04 3.82 1.01 0.20 -0.99 120.40 128.07 1r56 s VAL 34 Ca -0.08 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1r56 s VAL 34 Cb -0.15 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1r56 s VAL 34 CO -0.01 0.29 -0.06 0.00 0.00 0.00 0.00 175.10 175.32 1r56 s VAL 36 N 0.70 1.51 -0.09 0.00 1.01 -0.51 -0.54 120.40 122.48 1r56 s VAL 36 Ca -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1r56 s VAL 36 Cb -0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1r56 s VAL 36 CO 0.01 0.34 -0.08 -0.76 0.00 0.00 0.00 175.10 174.60 1r56 s LEU 37 N 1.49 3.05 0.15 3.92 1.43 -0.14 -1.66 118.68 126.92 1r56 s LEU 37 Ca 0.03 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 1r56 s LEU 37 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1r56 s LEU 37 CO -0.10 0.29 -0.10 -0.76 0.23 0.00 0.00 176.35 175.91 1r56 s LEU 38 N -0.36 2.99 0.03 1.79 1.43 0.18 -1.04 118.68 123.71 1r56 s LEU 38 Ca 0.05 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1r56 s LEU 38 Cb -0.12 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1r56 s LEU 38 CO 0.02 0.13 -0.10 -1.61 0.23 0.00 0.00 176.35 175.03 1r56 s GLU 39 N -2.57 0.68 0.00 1.70 2.02 -0.38 -2.40 118.70 117.76 1r56 s GLU 39 Ca 0.23 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1r56 s GLU 39 Cb -0.10 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1r56 s GLU 39 CO 0.14 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.98 1r56 n GLY 40 N 1.95 -0.65 3.37 -1.39 0.00 -1.26 -0.46 105.19 106.75 1r56 n GLY 40 Ca -0.19 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 3.30 0.00 1.61 1.02 0.62 -4.44 120.64 122.74 1r56 n GLU 41 Ca 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.63 1r56 n GLU 41 Cb 0.00 -3.21 0.00 0.00 -0.02 0.00 0.00 31.44 28.21 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 5.11 0.54 -0.31 -3.67 -5.35 -1.26 -4.80 119.36 109.63 1r56 n ILE 42 Ca 0.43 -0.57 0.20 0.00 -0.27 0.00 0.00 62.75 62.54 1r56 n ILE 42 Cb 0.43 0.76 0.47 0.00 -1.74 0.00 0.00 39.64 39.56 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 0.00 0.46 0.00 6.28 3.07 -1.99 -1.87 114.58 120.53 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 0.67 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1r56 h GLU 43 CO 0.00 0.30 -0.08 1.79 -1.40 0.00 0.00 179.01 179.63 1r56 h THR 44 N 0.47 0.25 -0.24 1.13 1.35 -1.89 -1.26 112.91 112.73 1r56 h THR 44 Ca 0.55 -0.58 -0.06 0.00 -0.55 0.00 0.00 66.41 65.78 1r56 h THR 44 Cb 1.28 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1r56 h THR 44 CO -0.28 0.08 -0.09 0.77 -0.25 0.00 0.00 175.52 175.74 1r56 h SER 45 N 0.00 0.37 0.00 5.36 4.64 -1.32 0.24 113.55 122.84 1r56 h SER 45 Ca -0.00 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1r56 h SER 45 Cb 0.45 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1r56 h SER 45 CO 0.01 0.50 -0.00 1.88 -0.87 0.00 0.00 176.83 178.35 1r56 h TYR 46 N 0.37 -0.00 -0.11 4.77 -1.99 -1.51 -2.86 116.97 115.64 1r56 h TYR 46 Ca 0.07 -0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.58 1r56 h TYR 46 Cb 0.40 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.14 1r56 h TYR 46 CO 0.01 0.52 -0.82 1.79 -0.00 0.00 0.00 178.16 179.66 1r56 h THR 47 N -1.00 1.30 -0.06 -2.88 1.35 -1.30 -3.38 112.91 106.95 1r56 h THR 47 Ca -0.00 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1r56 h THR 47 Cb 0.52 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1r56 h THR 47 CO 0.00 0.65 0.00 0.29 -0.25 0.00 0.00 175.52 176.21 1r56 n LYS 48 N -3.89 0.75 -2.95 4.72 4.76 0.74 -4.97 118.16 117.32 1r56 n LYS 48 Ca -0.07 -1.12 -0.19 0.00 -2.87 0.00 0.00 58.31 54.06 1r56 n LYS 48 Cb 0.77 -1.12 0.03 0.00 -1.84 0.00 0.00 35.03 32.88 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 0.22 -0.84 -2.50 7.82 0.00 -0.59 -4.96 120.51 119.66 1r56 n ALA 49 Ca 0.04 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 1r56 n ALA 49 Cb 0.20 -3.49 -0.08 0.00 0.00 0.00 0.00 19.45 16.08 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 -2.82 6.25 0.03 0.00 2.15 -0.60 -4.92 116.67 116.77 1r56 s ASP 50 Ca 0.28 -0.52 0.26 0.00 0.43 0.00 0.00 52.55 53.00 1r56 s ASP 50 Cb -0.12 -2.26 0.70 0.00 -0.30 0.00 0.00 42.92 40.93 1r56 s ASP 50 CO 0.35 -0.65 1.56 0.59 -0.17 0.00 0.00 175.17 176.85 1r56 n ASN 51 N 5.85 0.42 0.26 -0.34 3.02 -1.26 -3.30 115.26 119.91 1r56 n ASN 51 Ca -0.05 0.07 0.18 0.00 -0.03 0.00 0.00 54.58 54.75 1r56 n ASN 51 Cb 0.48 -0.03 0.91 0.00 -0.61 0.00 0.00 39.78 40.52 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 0.00 0.00 0.29 6.41 4.64 -1.99 0.08 113.55 122.99 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 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1r56 h SER 52 CO 0.00 0.00 -0.30 1.33 -0.87 0.00 0.00 176.83 176.99 1r56 n VAL 53 N -2.78 0.00 -3.22 0.95 0.24 -1.25 -4.87 118.33 107.41 1r56 n VAL 53 Ca -0.02 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 1r56 n VAL 53 Cb 0.11 0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.60 5.01 -0.43 1.34 -1.09 0.01 -4.93 121.20 118.51 1r56 s ILE 54 Ca 0.22 0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 58.90 1r56 s ILE 54 Cb 0.19 -3.94 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1r56 s ILE 54 CO 0.55 -0.15 1.05 -0.69 -1.23 0.00 0.00 174.94 174.47 1r56 s VAL 55 N 2.43 4.37 0.29 2.92 1.01 -1.26 -4.99 120.40 125.16 1r56 s VAL 55 Ca 0.20 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 1r56 s VAL 55 Cb -0.15 -4.50 -0.14 0.00 0.00 0.00 0.00 36.38 31.59 1r56 s VAL 55 CO 0.12 -0.82 0.99 0.00 0.00 0.00 0.00 175.10 175.40 1r56 n ALA 56 N 7.38 -0.31 0.21 5.51 0.00 -1.26 -4.87 120.51 127.16 1r56 n ALA 56 Ca 0.10 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.97 1r56 n ALA 56 Cb 0.48 -2.01 0.45 0.00 0.00 0.00 0.00 19.45 18.38 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 1.94 1.15 -0.17 0.00 1.35 -1.94 -1.02 112.91 114.22 1r56 h THR 57 Ca -0.39 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.53 1r56 h THR 57 Cb 1.34 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1r56 h THR 57 CO 0.60 0.26 0.06 -0.78 -0.25 0.00 0.00 175.52 175.41 1r56 h ASP 58 N 0.00 0.20 0.70 5.36 3.58 -1.95 -0.91 116.42 123.40 1r56 h ASP 58 Ca -0.00 -0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.20 1r56 h ASP 58 Cb 0.49 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1r56 h ASP 58 CO 0.03 0.20 -1.05 0.28 -2.88 0.00 0.00 179.24 175.82 1r56 h SER 59 N 0.23 0.27 -0.43 2.28 0.02 -1.57 -2.21 113.55 112.14 1r56 h SER 59 Ca 0.06 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1r56 h SER 59 Cb 0.06 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1r56 h SER 59 CO -0.01 1.15 0.25 0.40 -1.14 0.00 0.00 176.83 177.48 1r56 h ILE 60 N 0.07 1.15 0.04 3.27 2.04 -0.67 -1.08 117.51 122.32 1r56 h ILE 60 Ca -0.07 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1r56 h ILE 60 Cb 1.76 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1r56 h ILE 60 CO 0.16 0.15 -0.43 0.50 0.00 0.00 0.00 178.15 178.54 1r56 h LYS 61 N 0.57 -0.58 -0.59 2.37 3.64 -1.14 -1.82 116.57 119.02 1r56 h LYS 61 Ca 0.15 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.69 1r56 h LYS 61 Cb 0.03 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 1r56 h LYS 61 CO -0.03 -0.39 -0.08 -0.91 -2.27 0.00 0.00 179.45 175.77 1r56 h ASN 62 N -0.60 -0.43 -0.66 4.20 2.35 -1.05 -2.14 115.58 117.25 1r56 h ASN 62 Ca 0.04 0.16 0.09 0.00 -0.55 0.00 0.00 56.30 56.04 1r56 h ASN 62 Cb 0.67 0.32 -0.07 0.00 0.05 0.00 0.00 38.32 39.29 1r56 h ASN 62 CO -0.30 -0.16 0.30 0.74 -1.65 0.00 0.00 177.43 176.37 1r56 h THR 63 N 0.05 0.83 -0.71 2.81 2.02 -0.77 0.56 112.91 117.70 1r56 h THR 63 Ca 0.29 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1r56 h THR 63 Cb 0.46 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1r56 h THR 63 CO -0.56 0.10 0.35 0.40 0.37 0.00 0.00 175.52 176.18 1r56 h ILE 64 N 0.53 1.23 -0.43 3.11 2.04 -0.73 0.21 117.51 123.47 1r56 h ILE 64 Ca 0.32 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1r56 h ILE 64 Cb 0.35 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1r56 h ILE 64 CO -0.27 0.27 0.11 1.88 0.00 0.00 0.00 178.15 180.14 1r56 h TYR 65 N 0.99 0.71 -0.51 1.37 0.05 -0.75 -1.90 116.97 116.94 1r56 h TYR 65 Ca 0.25 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.83 1r56 h TYR 65 Cb 0.10 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1r56 h TYR 65 CO 0.00 0.66 -0.13 0.82 -1.05 0.00 0.00 178.16 178.47 1r56 h ILE 66 N 0.55 1.27 -0.71 -2.88 2.04 -0.75 -2.13 117.51 114.90 1r56 h ILE 66 Ca 0.13 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 1r56 h ILE 66 Cb 0.31 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1r56 h ILE 66 CO 0.00 0.45 0.42 0.74 0.00 0.00 0.00 178.15 179.76 1r56 h THR 67 N 0.85 1.20 -0.32 -0.27 2.02 -0.52 -1.32 112.91 114.54 1r56 h THR 67 Ca 0.13 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1r56 h THR 67 Cb 0.70 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1r56 h THR 67 CO 0.05 0.21 -0.23 0.00 0.37 0.00 0.00 175.52 175.93 1r56 h ALA 68 N 1.22 1.00 -0.66 6.16 0.00 -1.20 -1.31 119.26 124.48 1r56 h ALA 68 Ca 0.25 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1r56 h ALA 68 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1r56 h ALA 68 CO -0.05 0.59 0.09 -0.22 0.00 0.00 0.00 179.25 179.66 1r56 h LYS 69 N 0.55 1.10 0.00 0.00 1.63 -1.04 -3.22 116.57 115.60 1r56 h LYS 69 Ca 0.08 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1r56 h LYS 69 Cb 0.69 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1r56 h LYS 69 CO 0.05 1.02 -0.34 1.04 -3.45 0.00 0.00 179.45 177.78 1r56 n GLN 70 N -4.20 0.07 -4.30 1.90 6.02 -0.53 -4.95 117.38 111.38 1r56 n GLN 70 Ca 0.04 0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 56.90 1r56 n GLN 70 Cb 0.30 -1.55 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 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 -3.31 1.08 0.24 1.08 0.01 -0.52 -5.08 114.94 108.44 1r56 s ASN 71 Ca 0.11 -1.40 -0.30 0.00 -0.71 0.00 0.00 52.86 50.56 1r56 s ASN 71 Cb 0.17 0.21 -0.09 0.00 0.41 0.00 0.00 41.25 41.95 1r56 s ASN 71 CO 0.65 -0.76 1.09 -2.84 -1.51 0.00 0.00 177.10 173.73 1r56 s PRO 72 N -4.03 4.63 0.00 -0.60 0.02 -1.26 -4.74 135.00 129.02 1r56 s PRO 72 Ca 0.38 1.76 0.23 0.00 0.02 0.00 0.00 61.00 63.39 1r56 s PRO 72 Cb 0.07 -3.22 0.42 0.00 0.02 0.00 0.00 34.50 31.79 1r56 s PRO 72 CO 0.14 0.18 1.40 1.33 -0.33 0.00 0.00 177.00 179.71 1r56 n VAL 73 N 1.63 0.41 -4.17 3.83 0.24 -1.26 -4.45 118.33 114.56 1r56 n VAL 73 Ca 0.00 -0.68 -0.16 0.00 -2.04 0.00 0.00 64.34 61.46 1r56 n VAL 73 Cb 0.45 1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.59 0.55 0.69 3.34 -1.32 -1.26 -3.92 115.64 112.13 1r56 s THR 74 Ca 0.37 -0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 1r56 s THR 74 Cb 0.22 -0.52 0.01 0.00 -1.51 0.00 0.00 72.50 70.70 1r56 s THR 74 CO 0.31 -0.04 1.06 -2.16 -2.21 0.00 0.00 174.62 171.59 1r56 s PRO 75 N -0.69 2.89 0.46 7.08 0.04 -1.26 -4.83 135.00 138.69 1r56 s PRO 75 Ca -0.02 1.01 0.15 0.00 0.04 0.00 0.00 61.00 62.19 1r56 s PRO 75 Cb -0.05 -1.98 1.07 0.00 0.04 0.00 0.00 34.50 33.57 1r56 s PRO 75 CO 0.00 -1.14 2.03 -1.00 0.04 0.00 0.00 177.00 176.93 1r56 h PRO 76 N -0.64 0.00 -0.91 0.56 0.13 -1.97 -1.04 132.00 128.13 1r56 h PRO 76 Ca -0.44 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1r56 h PRO 76 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1r56 h PRO 76 CO 0.56 0.14 0.59 0.93 -0.23 0.00 0.00 178.00 179.99 1r56 h GLU 77 N 0.00 1.05 0.11 0.86 3.07 -1.95 0.79 114.58 118.51 1r56 h GLU 77 Ca -0.00 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1r56 h GLU 77 Cb 0.25 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1r56 h GLU 77 CO 0.02 0.70 -0.05 1.25 -1.40 0.00 0.00 179.01 179.52 1r56 h LEU 78 N 1.09 -0.12 -0.82 1.33 5.85 -1.57 -2.95 115.31 118.10 1r56 h LEU 78 Ca 0.37 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.77 1r56 h LEU 78 Cb 0.10 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1r56 h LEU 78 CO -0.13 0.40 0.47 0.15 -0.34 0.00 0.00 178.44 179.00 1r56 h PHE 79 N -0.71 0.85 -0.77 1.25 3.57 -1.10 -1.69 116.94 118.34 1r56 h PHE 79 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1r56 h PHE 79 Cb 0.54 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1r56 h PHE 79 CO 0.09 0.34 0.32 0.78 -2.23 0.00 0.00 178.31 177.61 1r56 h GLY 80 N 0.78 1.23 0.93 2.40 0.00 -0.93 -1.56 103.07 105.92 1r56 h GLY 80 Ca 0.40 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1r56 h GLY 80 CO -0.25 0.61 0.05 1.76 0.00 0.00 0.00 176.54 178.71 1r56 h SER 81 N 1.12 0.64 -0.28 0.19 0.02 -1.22 -1.51 113.55 112.51 1r56 h SER 81 Ca 0.26 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1r56 h SER 81 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1r56 h SER 81 CO -0.02 0.75 0.08 0.40 -1.14 0.00 0.00 176.83 176.89 1r56 h ILE 82 N 0.50 1.21 -0.36 3.27 2.04 -1.11 -2.05 117.51 121.02 1r56 h ILE 82 Ca 0.12 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1r56 h ILE 82 Cb 0.40 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1r56 h ILE 82 CO 0.01 0.22 -0.16 0.25 0.00 0.00 0.00 178.15 178.47 1r56 h LEU 83 N 0.28 0.64 -0.31 1.44 5.85 -1.26 -2.13 115.31 119.83 1r56 h LEU 83 Ca 0.09 -0.20 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 1r56 h LEU 83 Cb 0.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1r56 h LEU 83 CO -0.00 0.82 -0.57 1.23 -0.34 0.00 0.00 178.44 179.58 1r56 h GLY 84 N 0.98 0.92 1.00 3.75 0.00 -1.20 -3.16 103.07 105.36 1r56 h GLY 84 Ca 0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.32 1r56 h GLY 84 CO 0.04 0.98 0.35 -0.84 0.00 0.00 0.00 176.54 177.07 1r56 h THR 85 N 0.64 1.21 -1.01 4.70 2.02 -1.20 -2.93 112.91 116.34 1r56 h THR 85 Ca 0.01 -0.54 0.25 0.00 0.77 0.00 0.00 66.41 66.90 1r56 h THR 85 Cb 1.17 0.37 -0.12 0.00 -1.74 0.00 0.00 68.15 67.82 1r56 h THR 85 CO 0.12 0.23 0.60 -0.74 0.37 0.00 0.00 175.52 176.11 1r56 h HIS 86 N 0.90 0.99 -0.22 3.16 6.17 -1.35 -1.38 115.15 123.42 1r56 h HIS 86 Ca 0.23 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 61.14 1r56 h HIS 86 Cb 0.06 -0.28 0.01 0.00 2.52 0.00 0.00 27.41 29.71 1r56 h HIS 86 CO -0.00 0.06 -0.64 0.74 0.71 0.00 0.00 177.93 178.79 1r56 h PHE 87 N 0.56 1.07 0.00 5.26 0.04 -1.62 -1.85 116.94 120.41 1r56 h PHE 87 Ca 0.65 -0.43 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 1r56 h PHE 87 Cb 1.26 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 1r56 h PHE 87 CO -0.01 1.26 -0.02 -0.84 -0.60 0.00 0.00 178.31 178.10 1r56 h ILE 88 N 0.58 0.03 0.00 -0.55 3.07 -1.52 -2.29 117.51 116.83 1r56 h ILE 88 Ca -0.02 -0.94 0.00 0.00 1.55 0.00 0.00 64.86 65.45 1r56 h ILE 88 Cb 1.26 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 1r56 h ILE 88 CO 0.14 0.02 -0.65 -0.33 -1.05 0.00 0.00 178.15 176.27 1r56 h GLU 89 N 0.00 0.00 0.00 0.16 5.08 -1.18 -3.38 114.58 115.26 1r56 h GLU 89 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1r56 h GLU 89 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1r56 h GLU 89 CO 0.00 0.00 -2.06 1.17 -1.00 0.00 0.00 179.01 177.12 1r56 n LYS 90 N -2.49 0.70 -4.72 2.33 3.00 -0.70 -4.93 118.16 111.34 1r56 n LYS 90 Ca 0.02 -0.14 -0.27 0.00 -0.00 0.00 0.00 58.31 57.92 1r56 n LYS 90 Cb 0.50 -1.49 -0.17 0.00 0.00 0.00 0.00 35.03 33.86 1r56 n LYS 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1r56 s TYR 91 N -3.15 1.84 0.24 5.64 2.02 -0.87 -5.02 117.35 118.04 1r56 s TYR 91 Ca -0.08 -0.75 -0.07 0.00 -0.37 0.00 0.00 57.07 55.80 1r56 s TYR 91 Cb 0.11 -1.31 0.24 0.00 -0.40 0.00 0.00 41.96 40.61 1r56 s TYR 91 CO 0.84 -0.35 1.90 -0.91 -1.57 0.00 0.00 175.55 175.46 1r56 h ASN 92 N 7.00 1.02 -0.11 2.29 2.35 -1.88 -3.19 115.58 123.06 1r56 h ASN 92 Ca -0.28 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1r56 h ASN 92 Cb 1.20 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1r56 h ASN 92 CO 0.48 0.72 0.00 0.00 -1.65 0.00 0.00 177.43 176.98 1r56 n HIS 93 N -4.47 0.11 -3.49 1.19 1.44 -1.26 -4.87 115.22 103.87 1r56 n HIS 93 Ca 0.11 -0.05 -0.39 0.00 -2.01 0.00 0.00 57.72 55.38 1r56 n HIS 93 Cb 0.04 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.05 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 -1.89 5.24 -1.25 0.61 -1.09 -1.21 -0.28 121.20 121.33 1r56 s ILE 94 Ca 0.31 0.36 0.12 0.00 -2.23 0.00 0.00 60.65 59.20 1r56 s ILE 94 Cb 0.21 -3.62 0.20 0.00 -1.58 0.00 0.00 42.46 37.67 1r56 s ILE 94 CO 0.31 0.20 1.06 1.41 -1.23 0.00 0.00 174.94 176.68 1r56 n HIS 95 N 5.20 0.23 -3.64 3.97 8.25 0.39 -4.53 115.22 125.09 1r56 n HIS 95 Ca -0.11 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.02 1r56 n HIS 95 Cb 0.51 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.99 -1.94 -0.04 -1.41 0.00 -1.08 -0.35 121.76 115.95 1r56 s ALA 96 Ca 0.19 2.01 0.02 0.00 0.00 0.00 0.00 51.96 54.18 1r56 s ALA 96 Cb 0.11 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1r56 s ALA 96 CO 0.16 -0.29 -0.09 0.00 0.00 0.00 0.00 175.76 175.53 1r56 s ALA 97 N 0.53 0.97 -0.25 0.00 0.00 0.00 -1.25 121.76 121.77 1r56 s ALA 97 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1r56 s ALA 97 Cb -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1r56 s ALA 97 CO -0.06 0.10 -0.07 -1.01 0.00 0.00 0.00 175.76 174.72 1r56 s HIS 98 N 0.51 3.10 -0.16 0.00 3.76 -0.21 -1.18 115.29 121.10 1r56 s HIS 98 Ca -0.09 -1.71 -0.01 0.00 -0.15 0.00 0.00 55.06 53.10 1r56 s HIS 98 Cb -0.12 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 1r56 s HIS 98 CO 0.02 -0.77 -0.10 0.08 -0.85 0.00 0.00 174.74 173.12 1r56 s VAL 99 N 1.28 3.12 -0.12 -0.90 1.01 -0.22 -0.97 120.40 123.60 1r56 s VAL 99 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1r56 s VAL 99 Cb -0.17 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1r56 s VAL 99 CO -0.05 0.49 -0.19 0.21 0.00 0.00 0.00 175.10 175.57 1r56 s ASN 100 N 0.79 3.50 -0.04 3.32 2.47 0.29 -0.69 114.94 124.59 1r56 s ASN 100 Ca -0.04 -0.47 0.04 0.00 0.42 0.00 0.00 52.86 52.82 1r56 s ASN 100 Cb -0.15 -1.51 -0.00 0.00 -1.45 0.00 0.00 41.25 38.14 1r56 s ASN 100 CO 0.01 0.15 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.74 1r56 s ILE 101 N 0.43 1.43 -0.17 -5.21 1.01 -0.10 -0.30 121.20 118.29 1r56 s ILE 101 Ca -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1r56 s ILE 101 Cb -0.17 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1r56 s ILE 101 CO 0.06 0.41 -0.18 -0.69 0.00 0.00 0.00 174.94 174.54 1r56 s VAL 102 N 0.02 2.30 -0.18 2.92 1.01 -0.16 -1.30 120.40 125.00 1r56 s VAL 102 Ca -0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1r56 s VAL 102 Cb -0.11 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1r56 s VAL 102 CO 0.02 0.52 0.23 0.00 0.00 0.00 0.00 175.10 175.88 1r56 s HIS 104 N 0.47 3.48 -0.03 0.00 3.76 -0.63 -3.17 115.29 119.18 1r56 s HIS 104 Ca 0.13 0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 55.19 1r56 s HIS 104 Cb -0.12 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 1r56 s HIS 104 CO 0.02 0.41 0.84 1.03 -0.85 0.00 0.00 174.74 176.19 1r56 s ARG 105 N -3.01 4.50 -0.39 1.40 0.52 -1.26 -4.51 118.95 116.20 1r56 s ARG 105 Ca 0.39 1.14 0.01 0.00 -0.52 0.00 0.00 55.73 56.76 1r56 s ARG 105 Cb -0.12 -3.45 0.13 0.00 0.52 0.00 0.00 34.95 32.03 1r56 s ARG 105 CO 0.27 0.02 0.19 -1.58 0.02 0.00 0.00 175.30 174.22 1r56 s TRP 106 N 0.87 1.67 0.02 -0.53 0.23 -1.26 -4.27 118.94 115.67 1r56 s TRP 106 Ca 0.44 -2.09 -0.22 0.00 -2.03 0.00 0.00 56.10 52.21 1r56 s TRP 106 Cb -0.19 -1.67 -0.05 0.00 0.03 0.00 0.00 33.47 31.59 1r56 s TRP 106 CO 0.23 -0.82 0.65 0.99 0.96 0.00 0.00 176.95 178.97 1r56 s THR 107 N 0.84 4.84 0.11 2.01 2.01 0.14 -4.80 115.64 120.79 1r56 s THR 107 Ca 0.15 1.38 -0.31 0.00 0.31 0.00 0.00 61.69 63.22 1r56 s THR 107 Cb -0.22 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1r56 s THR 107 CO -0.07 0.40 1.65 -0.60 -0.69 0.00 0.00 174.62 175.32 1r56 s ARG 108 N -0.17 4.19 0.37 4.92 3.52 -1.26 0.15 118.95 130.68 1r56 s ARG 108 Ca 0.34 2.38 -0.27 0.00 -0.13 0.00 0.00 55.73 58.04 1r56 s ARG 108 Cb -0.19 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.66 1r56 s ARG 108 CO 0.19 -0.71 1.32 -1.64 -0.81 0.00 0.00 175.30 173.66 1r56 s MET 109 N 2.15 4.13 -0.42 5.12 -1.94 -0.29 -4.86 119.30 123.19 1r56 s MET 109 Ca 0.74 2.22 -0.12 0.00 -1.71 0.00 0.00 55.69 56.82 1r56 s MET 109 Cb -0.42 -2.90 0.06 0.00 2.01 0.00 0.00 34.83 33.58 1r56 s MET 109 CO 0.32 -0.38 0.28 -0.51 -0.01 0.00 0.00 175.02 174.72 1r56 s ASP 110 N -0.59 5.83 -0.23 3.03 1.01 -1.26 -0.30 116.67 124.16 1r56 s ASP 110 Ca 0.53 -1.25 -0.06 0.00 0.71 0.00 0.00 52.55 52.48 1r56 s ASP 110 Cb -0.39 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1r56 s ASP 110 CO 0.52 -0.51 0.04 -0.63 0.21 0.00 0.00 175.17 174.79 1r56 s ILE 111 N 1.54 4.08 -1.67 0.77 -1.09 -0.21 -4.52 121.20 120.10 1r56 s ILE 111 Ca 0.03 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1r56 s ILE 111 Cb -0.22 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1r56 s ILE 111 CO 0.05 0.37 0.00 0.47 -1.23 0.00 0.00 174.94 174.61 1r56 n ASP 112 N 4.76 -5.46 -0.02 3.58 8.00 -1.26 -1.63 116.55 124.52 1r56 n ASP 112 Ca -0.17 0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.37 1r56 n ASP 112 Cb 0.51 -4.52 -0.00 0.00 -0.02 0.00 0.00 41.12 37.09 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 -0.97 0.43 3.19 0.44 0.00 -1.26 -5.02 105.19 101.99 1r56 n GLY 113 Ca -0.22 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.51 1.43 0.33 1.61 -2.85 -0.65 -5.10 119.74 113.99 1r56 s LYS 114 Ca 0.00 -0.71 -0.29 0.00 -1.00 0.00 0.00 55.97 53.97 1r56 s LYS 114 Cb 0.00 -1.41 -0.11 0.00 -2.06 0.00 0.00 37.83 34.25 1r56 s LYS 114 CO 0.00 0.38 1.54 -2.14 0.10 0.00 0.00 175.35 175.23 1r56 s PRO 115 N -0.61 4.12 0.03 1.78 0.02 -1.26 -1.04 135.00 138.04 1r56 s PRO 115 Ca 0.07 2.57 -0.17 0.00 0.02 0.00 0.00 61.00 63.48 1r56 s PRO 115 Cb -0.07 -3.00 -0.06 0.00 0.02 0.00 0.00 34.50 31.38 1r56 s PRO 115 CO -0.00 -0.58 0.48 -1.58 -0.33 0.00 0.00 177.00 174.99 1r56 s HIS 116 N -0.46 3.77 0.07 6.54 2.46 0.58 -4.83 115.29 123.42 1r56 s HIS 116 Ca 0.59 1.13 0.29 0.00 0.47 0.00 0.00 55.06 57.53 1r56 s HIS 116 Cb -0.47 -2.39 1.11 0.00 -0.13 0.00 0.00 32.58 30.70 1r56 s HIS 116 CO 0.54 0.62 1.89 -1.00 -2.47 0.00 0.00 174.74 174.32 1r56 h PRO 117 N 4.63 0.00 0.00 2.88 0.13 -1.91 -3.38 132.00 134.34 1r56 h PRO 117 Ca -0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1r56 h PRO 117 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 1r56 h PRO 117 CO 0.62 0.09 -0.60 -2.39 -0.23 0.00 0.00 178.00 175.50 1r56 n HIS 118 N -3.22 0.00 -4.79 1.56 1.44 -1.26 0.59 115.22 109.53 1r56 n HIS 118 Ca 0.01 -0.39 -0.26 0.00 -2.01 0.00 0.00 57.72 55.06 1r56 n HIS 118 Cb 0.37 0.14 -0.16 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.32 2.15 0.10 4.39 0.01 -1.26 -5.03 113.70 112.73 1r56 s SER 119 Ca 0.14 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1r56 s SER 119 Cb 0.16 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 1r56 s SER 119 CO -0.07 0.10 -0.09 -0.36 0.41 0.00 0.00 173.24 173.23 1r56 s PHE 120 N 0.35 1.02 0.04 2.43 0.40 -1.26 -1.14 117.98 119.83 1r56 s PHE 120 Ca -0.11 -0.70 0.06 0.00 -0.60 0.00 0.00 56.93 55.58 1r56 s PHE 120 Cb -0.14 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1r56 s PHE 120 CO 0.04 -0.03 -0.16 -1.50 0.70 0.00 0.00 175.22 174.27 1r56 s ILE 121 N -2.65 1.28 -1.02 0.64 2.07 0.12 -4.88 121.20 116.76 1r56 s ILE 121 Ca 0.06 -1.07 -0.18 0.00 -1.41 0.00 0.00 60.65 58.06 1r56 s ILE 121 Cb -0.01 -1.14 0.13 0.00 0.13 0.00 0.00 42.46 41.56 1r56 s ILE 121 CO -0.01 0.06 1.26 -0.60 -1.91 0.00 0.00 174.94 173.74 1r56 s ARG 122 N -1.17 3.74 0.00 3.50 6.06 -1.26 0.28 118.95 130.11 1r56 s ARG 122 Ca 0.03 -1.91 0.00 0.00 -2.50 0.00 0.00 55.73 51.35 1r56 s ARG 122 Cb -0.08 -5.02 0.00 0.00 0.06 0.00 0.00 34.95 29.91 1r56 s ARG 122 CO 0.01 -1.83 0.11 -0.40 -2.50 0.00 0.00 175.30 170.69 1r56 n ASP 123 N 6.63 0.00 -4.90 -2.12 5.75 -1.26 -4.89 116.55 115.76 1r56 n ASP 123 Ca 0.29 0.11 -0.22 0.00 -0.01 0.00 0.00 54.79 54.95 1r56 n ASP 123 Cb 0.48 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.62 1r56 n ASP 123 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1r56 s SER 124 N -1.92 4.98 0.00 -1.12 0.15 -1.26 -4.98 113.70 109.55 1r56 s SER 124 Ca 0.00 -0.02 0.22 0.00 0.70 0.00 0.00 55.95 56.86 1r56 s SER 124 Cb 0.00 -0.71 0.72 0.00 -1.71 0.00 0.00 66.02 64.32 1r56 s SER 124 CO 0.00 -1.39 1.54 -0.62 1.20 0.00 0.00 173.24 173.98 1r56 n GLU 125 N -2.55 1.86 -1.77 5.44 -0.58 -1.26 -4.65 120.64 117.12 1r56 n GLU 125 Ca 0.10 -1.28 -0.41 0.00 -0.42 0.00 0.00 57.16 55.14 1r56 n GLU 125 Cb 0.60 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1r56 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1r56 s GLU 126 N -1.79 4.09 0.23 3.49 2.12 -1.22 -4.76 118.70 120.86 1r56 s GLU 126 Ca 0.34 2.60 0.10 0.00 0.36 0.00 0.00 54.97 58.37 1r56 s GLU 126 Cb 0.19 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 1r56 s GLU 126 CO 0.28 -0.59 -0.10 0.15 -0.54 0.00 0.00 175.26 174.46 1r56 s LYS 127 N -1.68 2.00 -0.15 4.30 -0.14 0.17 -4.45 119.74 119.78 1r56 s LYS 127 Ca 0.56 -1.46 0.01 0.00 -1.36 0.00 0.00 55.97 53.72 1r56 s LYS 127 Cb -0.47 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.64 1r56 s LYS 127 CO 0.60 0.38 -0.16 0.50 -0.76 0.00 0.00 175.35 175.91 1r56 s ARG 128 N -3.25 3.18 0.27 1.68 3.52 -1.19 -1.49 118.95 121.66 1r56 s ARG 128 Ca 0.28 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 1r56 s ARG 128 Cb -0.07 -2.60 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 1r56 s ARG 128 CO 0.16 0.00 -0.05 -0.80 -0.81 0.00 0.00 175.30 173.81 1r56 s ASN 129 N 0.84 2.55 0.01 -2.12 -0.87 -0.37 -0.80 114.94 114.17 1r56 s ASN 129 Ca -0.05 -1.19 -0.02 0.00 -1.57 0.00 0.00 52.86 50.03 1r56 s ASN 129 Cb -0.15 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.25 40.94 1r56 s ASN 129 CO -0.01 -0.37 0.02 0.68 -2.57 0.00 0.00 177.10 174.85 1r56 s VAL 130 N -3.10 0.09 -0.19 1.60 -7.23 -0.42 -1.40 120.40 109.74 1r56 s VAL 130 Ca 0.29 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1r56 s VAL 130 Cb 0.04 -0.27 0.04 0.00 0.56 0.00 0.00 36.38 36.75 1r56 s VAL 130 CO 0.11 -0.39 -0.12 -1.58 -0.31 0.00 0.00 175.10 172.81 1r56 s GLN 131 N -1.20 2.16 -0.15 4.82 0.74 -0.19 -0.92 119.66 124.92 1r56 s GLN 131 Ca -0.13 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.46 1r56 s GLN 131 Cb -0.08 -2.38 -0.01 0.00 1.10 0.00 0.00 33.01 31.64 1r56 s GLN 131 CO -0.00 -0.38 -0.10 0.08 -0.55 0.00 0.00 175.29 174.34 1r56 s VAL 132 N 1.39 3.23 -0.28 1.34 1.01 0.13 -0.85 120.40 126.38 1r56 s VAL 132 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1r56 s VAL 132 Cb -0.15 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1r56 s VAL 132 CO -0.09 0.50 -0.00 -1.81 0.00 0.00 0.00 175.10 173.70 1r56 s ASP 133 N 0.61 4.70 -0.31 3.32 1.01 0.42 -1.05 116.67 125.37 1r56 s ASP 133 Ca -0.06 -0.90 -0.05 0.00 0.71 0.00 0.00 52.55 52.25 1r56 s ASP 133 Cb -0.15 -1.75 0.04 0.00 1.01 0.00 0.00 42.92 42.07 1r56 s ASP 133 CO 0.03 -0.18 0.06 -0.69 0.21 0.00 0.00 175.17 174.60 1r56 s VAL 134 N 1.37 3.51 -0.16 -1.27 1.01 -0.33 -0.68 120.40 123.86 1r56 s VAL 134 Ca -0.00 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1r56 s VAL 134 Cb -0.17 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1r56 s VAL 134 CO -0.01 -0.09 -0.19 -0.69 0.00 0.00 0.00 175.10 174.12 1r56 s VAL 135 N 1.37 1.96 -0.28 2.92 1.01 -1.04 -0.82 120.40 125.52 1r56 s VAL 135 Ca -0.02 -0.89 -0.42 0.00 0.00 0.00 0.00 61.98 60.66 1r56 s VAL 135 Cb -0.19 -1.77 -0.17 0.00 0.00 0.00 0.00 36.38 34.25 1r56 s VAL 135 CO 0.01 0.52 1.62 1.21 0.00 0.00 0.00 175.10 178.46 1r56 n GLU 136 N 4.52 0.75 -1.87 2.72 2.13 0.53 -1.02 120.64 128.40 1r56 n GLU 136 Ca -0.20 0.27 -0.14 0.00 0.66 0.00 0.00 57.16 57.76 1r56 n GLU 136 Cb 0.50 -1.89 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 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 3.78 0.54 0.08 8.31 0.00 -1.26 -4.81 105.19 111.84 1r56 n GLY 137 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.44 0.00 0.00 1.61 5.02 -0.18 -5.14 118.16 117.02 1r56 n LYS 138 Ca -0.15 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1r56 n LYS 138 Cb 0.54 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 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 0.00 0.09 2.74 0.72 0.00 -1.19 -4.84 105.19 102.71 1r56 n GLY 139 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 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 0.17 -0.22 -0.61 1.01 0.83 -2.50 121.20 119.89 1r56 s ILE 140 Ca 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 1r56 s ILE 140 Cb 0.00 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 1r56 s ILE 140 CO 0.00 0.22 0.05 -1.81 0.00 0.00 0.00 174.94 173.40 1r56 s ASP 141 N 1.91 5.17 -0.10 3.58 1.01 0.15 -1.58 116.67 126.81 1r56 s ASP 141 Ca 0.03 -0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.18 1r56 s ASP 141 Cb -0.12 -1.91 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1r56 s ASP 141 CO -0.04 0.03 -0.21 -0.63 0.21 0.00 0.00 175.17 174.54 1r56 s ILE 142 N 1.20 2.36 -0.12 0.77 1.01 -1.26 -0.44 121.20 124.72 1r56 s ILE 142 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1r56 s ILE 142 Cb -0.14 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1r56 s ILE 142 CO 0.03 0.56 -0.20 -0.54 0.00 0.00 0.00 174.94 174.79 1r56 s LYS 143 N 0.17 2.70 0.13 2.79 1.02 -0.03 -1.90 119.74 124.64 1r56 s LYS 143 Ca -0.12 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.19 1r56 s LYS 143 Cb -0.16 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1r56 s LYS 143 CO 0.07 -0.00 -0.03 -1.12 -0.92 0.00 0.00 175.35 173.35 1r56 s SER 144 N 0.80 4.73 0.23 2.83 0.01 -0.23 -1.03 113.70 121.04 1r56 s SER 144 Ca -0.09 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.64 1r56 s SER 144 Cb -0.16 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.09 1r56 s SER 144 CO -0.00 0.13 0.62 -0.94 0.41 0.00 0.00 173.24 173.46 1r56 s SER 145 N -2.59 -0.29 0.07 2.44 1.04 -0.50 -0.10 113.70 113.78 1r56 s SER 145 Ca 0.25 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.24 1r56 s SER 145 Cb -0.10 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1r56 s SER 145 CO 0.17 -1.18 -0.22 -1.48 0.98 0.00 0.00 173.24 171.51 1r56 s LEU 146 N -2.89 2.22 0.21 2.42 0.05 -0.49 -1.24 118.68 118.96 1r56 s LEU 146 Ca 0.10 -0.60 -0.13 0.00 0.05 0.00 0.00 54.13 53.55 1r56 s LEU 146 Cb -0.03 -0.98 0.00 0.00 -2.05 0.00 0.00 46.19 43.13 1r56 s LEU 146 CO 0.01 0.13 0.44 -0.94 -0.55 0.00 0.00 176.35 175.45 1r56 s SER 147 N -1.50 -0.10 -0.97 1.48 1.04 -0.56 -2.06 113.70 111.03 1r56 s SER 147 Ca 0.08 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1r56 s SER 147 Cb -0.09 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1r56 s SER 147 CO 0.03 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1r56 n GLY 148 N -0.33 0.41 3.43 7.32 0.00 -1.20 0.44 105.19 115.27 1r56 n GLY 148 Ca -0.05 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.76 5.02 -0.23 0.99 2.96 -1.23 -3.42 118.68 120.01 1r56 s LEU 149 Ca 0.00 -0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 52.83 1r56 s LEU 149 Cb 0.00 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1r56 s LEU 149 CO 0.00 -0.94 0.09 -0.89 -1.32 0.00 0.00 176.35 173.29 1r56 s THR 150 N 2.67 4.70 0.12 3.68 2.01 -1.26 -0.83 115.64 126.73 1r56 s THR 150 Ca 0.15 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1r56 s THR 150 Cb -0.20 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1r56 s THR 150 CO 0.11 0.37 -0.08 0.68 -0.69 0.00 0.00 174.62 175.01 1r56 s VAL 151 N 1.15 0.88 -0.08 3.82 -7.23 -0.77 -5.01 120.40 113.15 1r56 s VAL 151 Ca 0.05 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1r56 s VAL 151 Cb -0.14 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.08 1r56 s VAL 151 CO 0.04 -0.82 0.21 -0.22 -0.31 0.00 0.00 175.10 174.00 1r56 s LEU 152 N -3.09 1.00 -0.11 1.32 0.20 -1.26 -1.81 118.68 114.92 1r56 s LEU 152 Ca 0.14 0.43 0.02 0.00 0.69 0.00 0.00 54.13 55.41 1r56 s LEU 152 Cb 0.04 0.69 0.01 0.00 -0.43 0.00 0.00 46.19 46.51 1r56 s LEU 152 CO -0.03 -0.10 -0.15 -1.59 -0.29 0.00 0.00 176.35 174.19 1r56 s LYS 153 N 0.44 2.21 0.00 1.98 -2.85 0.42 -4.99 119.74 116.95 1r56 s LYS 153 Ca -0.03 -0.56 0.26 0.00 -1.00 0.00 0.00 55.97 54.64 1r56 s LYS 153 Cb -0.04 -1.87 1.17 0.00 -2.06 0.00 0.00 37.83 35.03 1r56 s LYS 153 CO -0.02 -0.05 1.85 -1.13 0.10 0.00 0.00 175.35 176.10 1r56 n SER 154 N 4.15 0.00 -2.19 0.03 3.41 -1.26 -1.48 113.62 116.28 1r56 n SER 154 Ca -0.19 0.35 -0.06 0.00 -0.26 0.00 0.00 58.87 58.71 1r56 n SER 154 Cb 0.51 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.45 0.00 -2.48 6.66 5.66 -1.26 -4.35 114.28 117.06 1r56 n THR 155 Ca 0.08 -0.64 -0.11 0.00 -3.05 0.00 0.00 64.05 60.33 1r56 n THR 155 Cb 0.28 0.64 0.01 0.00 -1.55 0.00 0.00 70.33 69.71 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 -1.34 -3.75 -3.95 1.09 4.13 -1.26 -4.87 115.26 105.32 1r56 n ASN 156 Ca -0.06 -0.10 -0.18 0.00 1.68 0.00 0.00 54.58 55.93 1r56 n ASN 156 Cb 0.39 -2.77 -0.15 0.00 -1.54 0.00 0.00 39.78 35.71 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 -2.73 0.86 0.26 6.41 0.15 -1.24 -3.92 113.70 113.49 1r56 s SER 157 Ca 0.10 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.65 1r56 s SER 157 Cb -0.04 -0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 1r56 s SER 157 CO 0.12 0.03 0.05 -1.10 1.20 0.00 0.00 173.24 173.55 1r56 s GLN 158 N 0.24 1.44 -0.29 5.44 -0.21 -0.72 -1.28 119.66 124.28 1r56 s GLN 158 Ca -0.03 -1.77 0.01 0.00 0.02 0.00 0.00 55.36 53.60 1r56 s GLN 158 Cb -0.07 -0.52 0.19 0.00 1.00 0.00 0.00 33.01 33.61 1r56 s GLN 158 CO -0.00 -0.20 0.58 0.12 -2.12 0.00 0.00 175.29 173.67 1r56 s PHE 159 N -3.54 -1.66 0.19 0.91 5.36 -0.42 -4.00 117.98 114.82 1r56 s PHE 159 Ca 0.34 1.44 -0.14 0.00 -0.96 0.00 0.00 56.93 57.61 1r56 s PHE 159 Cb 0.07 0.45 0.01 0.00 -0.34 0.00 0.00 43.02 43.21 1r56 s PHE 159 CO 0.12 -0.95 0.44 1.67 -1.46 0.00 0.00 175.22 175.04 1r56 s TRP 160 N 2.83 0.10 0.00 10.12 1.48 -1.26 -1.15 118.94 131.06 1r56 s TRP 160 Ca 0.17 -0.45 0.00 0.00 -1.06 0.00 0.00 56.10 54.76 1r56 s TRP 160 Cb -0.13 0.22 0.00 0.00 -1.16 0.00 0.00 33.47 32.40 1r56 s TRP 160 CO -0.23 -0.86 0.00 0.41 -4.06 0.00 0.00 176.95 172.22 1r56 n GLY 161 N -0.30 0.73 3.82 3.67 0.00 -1.26 -5.03 105.19 106.81 1r56 n GLY 161 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.44 2.90 0.31 1.61 -0.71 -1.26 -4.98 117.98 113.40 1r56 s PHE 162 Ca 0.00 1.14 -0.30 0.00 -1.04 0.00 0.00 56.93 56.73 1r56 s PHE 162 Cb 0.00 -3.11 -0.12 0.00 -1.21 0.00 0.00 43.02 38.58 1r56 s PHE 162 CO 0.00 -1.69 1.56 -0.11 -1.34 0.00 0.00 175.22 173.64 1r56 n LEU 163 N -3.37 4.37 -3.92 -1.99 0.00 -1.26 -5.00 117.00 105.83 1r56 n LEU 163 Ca 0.07 1.16 -0.26 0.00 0.00 0.00 0.00 56.01 56.99 1r56 n LEU 163 Cb 0.56 -1.59 -0.17 0.00 0.00 0.00 0.00 43.42 42.23 1r56 n LEU 163 CO 0.57 0.11 -0.44 -0.13 0.00 0.00 0.00 177.39 177.49 1r56 s ARG 164 N -0.86 1.48 0.00 1.96 0.52 -1.26 -4.99 118.95 115.80 1r56 s ARG 164 Ca 0.62 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1r56 s ARG 164 Cb -0.50 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1r56 s ARG 164 CO 0.52 -0.21 0.00 -0.40 0.02 0.00 0.00 175.30 175.23 1r56 n ASP 165 N 4.72 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 120.92 1r56 n ASP 165 Ca -0.14 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.21 1r56 n ASP 165 Cb 0.50 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.84 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 0.69 0.00 0.11 0.00 -1.26 -2.00 120.64 118.18 1r56 n GLU 166 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1r56 n GLU 166 Cb 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 31.44 30.16 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 -0.78 0.00 -3.57 -1.84 4.01 -1.26 -4.99 117.16 108.73 1r56 n TYR 167 Ca 0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.46 1r56 n TYR 167 Cb 0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.30 5.30 0.00 -0.72 2.01 -0.84 -4.93 115.64 115.16 1r56 s THR 168 Ca 0.07 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1r56 s THR 168 Cb 0.07 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1r56 s THR 168 CO 0.23 0.31 0.00 0.35 -0.69 0.00 0.00 174.62 174.82 1r56 n THR 169 N 4.35 0.00 -1.85 -0.82 -2.24 -1.26 -4.78 114.28 107.67 1r56 n THR 169 Ca -0.13 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1r56 n THR 169 Cb 0.52 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.09 4.37 0.24 3.22 2.96 -1.26 -5.00 118.68 121.12 1r56 s LEU 170 Ca 0.00 2.74 -0.20 0.00 -0.22 0.00 0.00 54.13 56.45 1r56 s LEU 170 Cb 0.00 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1r56 s LEU 170 CO 0.00 -0.88 0.74 -0.54 -1.32 0.00 0.00 176.35 174.35 1r56 s LYS 171 N 0.96 4.25 0.61 1.98 1.02 -1.26 -5.04 119.74 122.26 1r56 s LYS 171 Ca 0.71 0.88 -0.17 0.00 0.02 0.00 0.00 55.97 57.40 1r56 s LYS 171 Cb -0.46 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 1r56 s LYS 171 CO 0.33 0.36 1.16 -1.21 -0.92 0.00 0.00 175.35 175.07 1r56 s GLU 172 N -2.08 2.94 -0.00 1.68 2.02 -1.26 -5.00 118.70 116.99 1r56 s GLU 172 Ca 0.44 1.63 -0.06 0.00 0.02 0.00 0.00 54.97 57.00 1r56 s GLU 172 Cb -0.16 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1r56 s GLU 172 CO 0.21 -1.19 0.12 -0.08 0.02 0.00 0.00 175.26 174.34 1r56 s THR 173 N -1.90 0.08 -0.62 3.63 -1.32 -0.30 -5.00 115.64 110.20 1r56 s THR 173 Ca 0.73 -0.64 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 1r56 s THR 173 Cb -0.25 -0.39 0.15 0.00 -1.51 0.00 0.00 72.50 70.49 1r56 s THR 173 CO 0.35 -0.35 1.04 0.79 -2.21 0.00 0.00 174.62 174.23 1r56 n TRP 174 N 1.63 0.20 -3.35 9.09 8.01 -1.26 -1.30 117.44 130.46 1r56 n TRP 174 Ca -0.22 -0.37 0.02 0.00 -1.31 0.00 0.00 57.50 55.62 1r56 n TRP 174 Cb 0.56 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.31 29.81 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 -0.88 -1.08 0.20 -0.99 2.15 -1.22 -4.59 116.67 110.25 1r56 s ASP 175 Ca 0.12 1.02 -0.12 0.00 0.43 0.00 0.00 52.55 54.01 1r56 s ASP 175 Cb 0.07 2.05 0.00 0.00 -0.30 0.00 0.00 42.92 44.74 1r56 s ASP 175 CO 0.09 -0.20 0.40 0.00 -0.17 0.00 0.00 175.17 175.29 1r56 s ARG 176 N 2.83 1.34 0.34 4.34 1.70 -0.41 -4.98 118.95 124.11 1r56 s ARG 176 Ca 0.06 -1.14 -0.26 0.00 -0.47 0.00 0.00 55.73 53.92 1r56 s ARG 176 Cb -0.12 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 1r56 s ARG 176 CO -0.19 -0.53 1.01 0.42 -1.08 0.00 0.00 175.30 174.93 1r56 s ILE 177 N -3.97 3.88 -0.07 4.99 1.01 -1.26 -3.72 121.20 122.05 1r56 s ILE 177 Ca 0.18 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.42 1r56 s ILE 177 Cb 0.01 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1r56 s ILE 177 CO 0.03 0.16 -0.07 -0.22 0.00 0.00 0.00 174.94 174.84 1r56 s LEU 178 N -2.10 1.30 -0.03 2.97 2.96 -0.55 -4.89 118.68 118.35 1r56 s LEU 178 Ca 0.51 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.16 1r56 s LEU 178 Cb -0.23 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1r56 s LEU 178 CO 0.29 -0.06 0.11 -0.55 -1.32 0.00 0.00 176.35 174.83 1r56 s SER 179 N 1.15 -0.06 0.17 3.68 0.15 -1.26 -0.44 113.70 117.09 1r56 s SER 179 Ca -0.07 0.08 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 1r56 s SER 179 Cb -0.14 0.23 0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1r56 s SER 179 CO -0.01 -0.14 0.60 0.28 1.20 0.00 0.00 173.24 175.16 1r56 s THR 180 N -0.41 0.01 -0.09 6.45 -1.32 -0.75 -1.59 115.64 117.93 1r56 s THR 180 Ca -0.05 -0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.17 1r56 s THR 180 Cb -0.03 -1.16 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1r56 s THR 180 CO 0.00 -0.02 0.16 -1.81 -2.21 0.00 0.00 174.62 170.74 1r56 s ASP 181 N -2.78 6.41 -0.10 8.08 1.01 -1.17 -1.85 116.67 126.27 1r56 s ASP 181 Ca 0.03 0.48 -0.00 0.00 0.71 0.00 0.00 52.55 53.76 1r56 s ASP 181 Cb -0.01 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 1r56 s ASP 181 CO -0.10 0.38 -0.08 -0.69 0.21 0.00 0.00 175.17 174.89 1r56 s VAL 182 N -1.09 3.53 -0.18 -1.27 1.01 -0.01 -3.67 120.40 118.72 1r56 s VAL 182 Ca 0.18 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1r56 s VAL 182 Cb -0.12 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1r56 s VAL 182 CO 0.07 0.56 -0.06 -0.62 0.00 0.00 0.00 175.10 175.05 1r56 s ASP 183 N -0.26 3.10 -0.06 3.32 -1.08 -0.98 -3.26 116.67 117.45 1r56 s ASP 183 Ca 0.03 -0.79 0.03 0.00 -0.52 0.00 0.00 52.55 51.30 1r56 s ASP 183 Cb -0.13 -0.99 0.01 0.00 -1.46 0.00 0.00 42.92 40.35 1r56 s ASP 183 CO 0.03 -0.19 -0.14 0.00 0.52 0.00 0.00 175.17 175.38 1r56 s ALA 184 N 1.57 1.40 -0.03 3.66 0.00 -0.88 -0.87 121.76 126.61 1r56 s ALA 184 Ca -0.01 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1r56 s ALA 184 Cb -0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1r56 s ALA 184 CO -0.08 0.17 -0.19 0.99 0.00 0.00 0.00 175.76 176.65 1r56 s THR 185 N 0.49 1.50 -0.08 0.00 2.01 0.32 -1.40 115.64 118.48 1r56 s THR 185 Ca -0.13 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1r56 s THR 185 Cb -0.15 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1r56 s THR 185 CO 0.04 0.43 -0.19 -1.66 -0.69 0.00 0.00 174.62 172.55 1r56 s TRP 186 N -0.28 2.07 -0.32 4.92 -2.14 0.85 -0.06 118.94 123.98 1r56 s TRP 186 Ca 0.03 -0.82 -0.14 0.00 2.66 0.00 0.00 56.10 57.83 1r56 s TRP 186 Cb -0.09 -1.42 -0.02 0.00 -3.10 0.00 0.00 33.47 28.83 1r56 s TRP 186 CO 0.00 -0.36 0.30 -1.14 -2.66 0.00 0.00 176.95 173.09 1r56 s GLN 187 N 0.49 3.66 0.69 3.25 0.74 -0.46 -1.07 119.66 126.96 1r56 s GLN 187 Ca -0.17 -0.41 -0.12 0.00 0.05 0.00 0.00 55.36 54.70 1r56 s GLN 187 Cb -0.17 -3.76 0.01 0.00 1.10 0.00 0.00 33.01 30.19 1r56 s GLN 187 CO 0.07 -0.41 1.08 -1.58 -0.55 0.00 0.00 175.29 173.89 1r56 s TRP 188 N 1.89 2.86 0.62 1.67 0.52 -0.80 -0.61 118.94 125.09 1r56 s TRP 188 Ca 0.10 1.50 -0.18 0.00 0.02 0.00 0.00 56.10 57.53 1r56 s TRP 188 Cb -0.17 -3.00 -0.02 0.00 -1.15 0.00 0.00 33.47 29.13 1r56 s TRP 188 CO 0.11 -1.43 1.20 -1.59 0.02 0.00 0.00 176.95 175.26 1r56 s LYS 189 N -4.63 2.85 0.19 4.98 -2.85 -0.42 -4.61 119.74 115.25 1r56 s LYS 189 Ca 0.62 1.78 -0.33 0.00 -1.00 0.00 0.00 55.97 57.03 1r56 s LYS 189 Cb -0.16 -1.92 -0.14 0.00 -2.06 0.00 0.00 37.83 33.55 1r56 s LYS 189 CO 0.49 -1.29 1.44 -1.71 0.10 0.00 0.00 175.35 174.38 1r56 n ASN 190 N -1.81 2.63 -4.82 0.03 2.85 -1.26 -4.81 115.26 108.07 1r56 n ASN 190 Ca 0.13 1.12 -0.36 0.00 -0.11 0.00 0.00 54.58 55.36 1r56 n ASN 190 Cb 0.50 -1.38 -0.07 0.00 1.24 0.00 0.00 39.78 40.06 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 0.32 3.46 0.24 1.20 0.08 -0.61 -4.95 117.98 117.71 1r56 s PHE 191 Ca 0.74 0.42 0.16 0.00 0.12 0.00 0.00 56.93 58.37 1r56 s PHE 191 Cb -0.71 -1.89 0.64 0.00 -0.57 0.00 0.00 43.02 40.49 1r56 s PHE 191 CO 0.46 0.65 1.73 0.66 -0.10 0.00 0.00 175.22 178.62 1r56 h SER 192 N 4.96 0.00 0.00 1.36 4.64 -1.94 0.24 113.55 122.82 1r56 h SER 192 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1r56 h SER 192 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1r56 h SER 192 CO 0.57 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.57 1r56 n GLY 193 N 0.10 -1.24 0.31 -0.77 0.00 -1.26 -4.48 105.19 97.84 1r56 n GLY 193 Ca -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 46.02 45.08 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 0.50 -0.61 0.99 6.46 -1.93 -2.60 115.31 118.12 1r56 h LEU 194 Ca 0.00 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1r56 h LEU 194 Cb 0.00 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1r56 h LEU 194 CO 0.00 0.20 0.26 -0.61 -0.62 0.00 0.00 178.44 177.67 1r56 h GLN 195 N 0.60 0.90 -0.49 1.25 4.15 -1.98 0.12 115.11 119.65 1r56 h GLN 195 Ca 0.47 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 1r56 h GLN 195 Cb 0.68 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1r56 h GLN 195 CO -0.38 0.75 -0.09 1.49 -1.93 0.00 0.00 178.83 178.67 1r56 h GLU 196 N 0.84 0.89 -0.31 1.69 4.81 -1.88 -1.67 114.58 118.96 1r56 h GLU 196 Ca 0.21 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1r56 h GLU 196 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1r56 h GLU 196 CO -0.02 0.94 0.16 0.28 -0.73 0.00 0.00 179.01 179.64 1r56 h VAL 197 N 0.80 1.14 -0.35 0.32 2.07 -1.09 -2.32 116.25 116.82 1r56 h VAL 197 Ca 0.13 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1r56 h VAL 197 Cb 0.61 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1r56 h VAL 197 CO 0.04 0.14 0.24 0.03 0.02 0.00 0.00 177.57 178.04 1r56 h ARG 198 N 0.37 0.19 0.00 1.57 3.08 -0.50 -2.00 114.38 117.09 1r56 h ARG 198 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1r56 h ARG 198 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1r56 h ARG 198 CO -0.02 0.13 0.00 0.66 -1.07 0.00 0.00 179.97 179.67 1r56 h SER 199 N 0.20 0.00 -0.34 7.04 4.64 -0.73 -3.14 113.55 121.22 1r56 h SER 199 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1r56 h SER 199 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1r56 h SER 199 CO -0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.34 1r56 n HIS 200 N -2.95 0.48 -0.32 4.77 8.25 -0.77 -4.79 115.22 119.89 1r56 n HIS 200 Ca 0.02 -0.51 0.07 0.00 -0.26 0.00 0.00 57.72 57.04 1r56 n HIS 200 Cb 0.34 -0.04 0.17 0.00 1.12 0.00 0.00 29.99 31.58 1r56 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r56 h VAL 201 N 2.01 0.11 -0.27 1.59 2.07 -1.47 -0.19 116.25 120.10 1r56 h VAL 201 Ca 0.00 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1r56 h VAL 201 Cb 0.75 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1r56 h VAL 201 CO 0.01 0.00 0.21 -0.65 0.02 0.00 0.00 177.57 177.16 1r56 h PRO 202 N 0.02 0.00 0.00 1.57 0.11 -1.88 -2.21 132.00 129.61 1r56 h PRO 202 Ca 0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.52 1r56 h PRO 202 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1r56 h PRO 202 CO -0.89 0.00 -0.31 0.87 -0.21 0.00 0.00 178.00 177.46 1r56 h LYS 203 N 0.00 0.00 0.80 1.05 1.57 -1.41 -3.22 116.57 115.35 1r56 h LYS 203 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1r56 h LYS 203 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1r56 h LYS 203 CO -0.00 0.31 -0.38 0.74 -0.57 0.00 0.00 179.45 179.55 1r56 h PHE 204 N 0.00 -0.99 -0.62 -1.35 0.04 -1.50 0.15 116.94 112.67 1r56 h PHE 204 Ca -0.00 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1r56 h PHE 204 Cb 0.76 0.33 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 1r56 h PHE 204 CO 0.00 -0.60 0.21 -0.44 -0.60 0.00 0.00 178.31 176.88 1r56 h ASP 205 N -1.15 0.87 -0.44 2.17 5.19 -1.74 -2.02 116.42 119.29 1r56 h ASP 205 Ca -0.11 -0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 56.02 1r56 h ASP 205 Cb 0.83 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1r56 h ASP 205 CO 0.18 0.80 -0.27 0.00 -3.12 0.00 0.00 179.24 176.83 1r56 h ALA 206 N 1.32 0.66 -0.04 3.45 0.00 -1.56 -1.09 119.26 122.01 1r56 h ALA 206 Ca 0.21 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1r56 h ALA 206 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r56 h ALA 206 CO -0.01 0.68 -0.41 1.15 0.00 0.00 0.00 179.25 180.65 1r56 h THR 207 N 0.83 1.30 -0.17 0.00 2.02 -0.73 -0.83 112.91 115.33 1r56 h THR 207 Ca 0.09 -1.46 -0.09 0.00 0.77 0.00 0.00 66.41 65.73 1r56 h THR 207 Cb 0.86 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1r56 h THR 207 CO 0.08 0.42 -0.25 -0.25 0.37 0.00 0.00 175.52 175.89 1r56 h TRP 208 N 0.06 0.58 -0.83 3.16 7.01 -1.18 -0.64 115.95 124.12 1r56 h TRP 208 Ca 0.00 -0.20 0.01 0.00 2.11 0.00 0.00 58.89 60.82 1r56 h TRP 208 Cb 0.76 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.66 1r56 h TRP 208 CO 0.00 0.89 0.55 0.00 -2.79 0.00 0.00 178.44 177.09 1r56 h ALA 209 N 0.59 1.41 -0.18 2.65 0.00 -1.13 -1.55 119.26 121.05 1r56 h ALA 209 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1r56 h ALA 209 Cb 0.83 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1r56 h ALA 209 CO 0.06 0.55 -0.10 1.15 0.00 0.00 0.00 179.25 180.90 1r56 h THR 210 N 1.13 1.32 -0.53 0.00 2.02 -1.04 -2.21 112.91 113.58 1r56 h THR 210 Ca 0.31 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 1r56 h THR 210 Cb -0.12 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1r56 h THR 210 CO -0.07 0.35 0.09 0.00 0.37 0.00 0.00 175.52 176.27 1r56 h ALA 211 N 0.67 1.16 0.06 6.16 0.00 -0.93 -1.22 119.26 125.18 1r56 h ALA 211 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r56 h ALA 211 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r56 h ALA 211 CO 0.03 0.56 -0.03 -0.09 0.00 0.00 0.00 179.25 179.72 1r56 h ARG 212 N 0.80 -0.08 -0.71 0.00 2.43 -1.27 -2.28 114.38 113.26 1r56 h ARG 212 Ca 0.17 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1r56 h ARG 212 Cb 0.35 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1r56 h ARG 212 CO 0.01 0.15 0.21 1.49 -1.51 0.00 0.00 179.97 180.32 1r56 h GLU 213 N -0.31 1.09 -0.34 0.20 4.81 -1.33 -2.18 114.58 116.51 1r56 h GLU 213 Ca -0.01 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1r56 h GLU 213 Cb 0.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1r56 h GLU 213 CO 0.01 0.94 -0.09 0.28 -0.73 0.00 0.00 179.01 179.42 1r56 h VAL 214 N 1.05 1.23 -0.18 0.32 2.07 -1.22 -1.86 116.25 117.67 1r56 h VAL 214 Ca 0.23 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1r56 h VAL 214 Cb 0.30 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1r56 h VAL 214 CO -0.01 0.34 -0.06 0.74 0.02 0.00 0.00 177.57 178.60 1r56 h THR 215 N 0.53 1.30 -0.36 2.57 2.02 -1.09 -1.14 112.91 116.74 1r56 h THR 215 Ca 0.10 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.13 1r56 h THR 215 Cb 0.48 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1r56 h THR 215 CO 0.03 0.32 -0.07 -0.07 0.37 0.00 0.00 175.52 176.10 1r56 h LEU 216 N 0.05 0.69 -0.21 2.58 3.38 -1.35 -2.19 115.31 118.25 1r56 h LEU 216 Ca 0.04 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 1r56 h LEU 216 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r56 h LEU 216 CO 0.02 0.88 -0.26 0.50 0.09 0.00 0.00 178.44 179.68 1r56 h LYS 217 N 0.49 0.55 -0.45 1.13 3.64 -1.37 -1.18 116.57 119.38 1r56 h LYS 217 Ca 0.09 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.07 1r56 h LYS 217 Cb 0.57 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1r56 h LYS 217 CO 0.03 0.90 -0.11 1.15 -2.27 0.00 0.00 179.45 179.15 1r56 h THR 218 N 0.23 1.26 -0.15 1.00 2.02 -1.23 -0.84 112.91 115.20 1r56 h THR 218 Ca 0.03 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1r56 h THR 218 Cb 0.82 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1r56 h THR 218 CO 0.06 0.41 0.03 0.15 0.37 0.00 0.00 175.52 176.55 1r56 h PHE 219 N 0.75 0.25 -0.43 3.16 3.57 -1.36 0.10 116.94 122.98 1r56 h PHE 219 Ca 0.12 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1r56 h PHE 219 Cb 0.61 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1r56 h PHE 219 CO 0.03 0.39 0.20 0.00 -2.23 0.00 0.00 178.31 176.70 1r56 h ALA 220 N 0.83 0.55 0.00 2.41 0.00 -1.06 -3.33 119.26 118.67 1r56 h ALA 220 Ca 0.05 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1r56 h ALA 220 Cb 0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1r56 h ALA 220 CO 0.00 0.13 -1.59 0.93 0.00 0.00 0.00 179.25 178.72 1r56 h GLU 221 N 0.55 0.00 -6.73 0.00 5.08 -1.15 -3.47 114.58 108.86 1r56 h GLU 221 Ca 0.15 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.98 1r56 h GLU 221 Cb 0.14 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.45 1r56 h GLU 221 CO -0.02 0.57 0.77 0.34 -1.00 0.00 0.00 179.01 179.67 1r56 s ASP 222 N -6.18 6.65 -0.70 1.42 2.15 0.35 -4.95 116.67 115.40 1r56 s ASP 222 Ca -0.04 2.65 0.05 0.00 0.43 0.00 0.00 52.55 55.65 1r56 s ASP 222 Cb 0.08 -2.62 0.21 0.00 -0.30 0.00 0.00 42.92 40.30 1r56 s ASP 222 CO 0.82 -0.72 0.66 -3.20 -0.17 0.00 0.00 175.17 172.57 1r56 n ASN 223 N 2.55 3.57 -4.75 -0.34 2.85 -1.26 -4.88 115.26 112.99 1r56 n ASN 223 Ca 0.08 -3.33 -0.23 0.00 -0.11 0.00 0.00 54.58 50.99 1r56 n ASN 223 Cb 0.40 -0.75 -0.06 0.00 1.24 0.00 0.00 39.78 40.61 1r56 n ASN 223 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1r56 s SER 224 N -1.87 5.15 -0.19 1.20 0.15 -1.25 -4.93 113.70 111.96 1r56 s SER 224 Ca 0.32 -0.37 0.16 0.00 0.70 0.00 0.00 55.95 56.76 1r56 s SER 224 Cb 0.05 -1.20 0.65 0.00 -1.71 0.00 0.00 66.02 63.80 1r56 s SER 224 CO -0.09 0.00 1.56 0.00 1.20 0.00 0.00 173.24 175.91 1r56 n ALA 225 N -0.86 3.30 -3.53 5.45 0.00 -1.26 -1.75 120.51 121.86 1r56 n ALA 225 Ca -0.08 -2.05 -0.16 0.00 0.00 0.00 0.00 53.44 51.15 1r56 n ALA 225 Cb 0.57 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.38 0.93 0.37 0.00 0.15 -1.26 -4.53 113.70 107.98 1r56 s SER 226 Ca 0.47 0.09 0.07 0.00 0.70 0.00 0.00 55.95 57.28 1r56 s SER 226 Cb 0.36 0.54 0.73 0.00 -1.71 0.00 0.00 66.02 65.95 1r56 s SER 226 CO 0.13 -0.29 1.92 0.58 1.20 0.00 0.00 173.24 176.78 1r56 h VAL 227 N 6.29 1.17 -0.60 4.45 2.07 -1.90 -2.17 116.25 125.57 1r56 h VAL 227 Ca -0.16 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.70 1r56 h VAL 227 Cb 1.14 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1r56 h VAL 227 CO 0.23 0.23 0.34 1.56 0.02 0.00 0.00 177.57 179.96 1r56 h GLN 228 N 0.37 0.64 -0.11 1.57 7.50 -1.99 -1.41 115.11 121.68 1r56 h GLN 228 Ca 0.08 -0.04 -0.15 0.00 0.50 0.00 0.00 58.65 59.04 1r56 h GLN 228 Cb 0.30 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 1r56 h GLN 228 CO 0.01 0.43 -0.59 0.00 -1.50 0.00 0.00 178.83 177.18 1r56 h ALA 229 N 1.29 0.78 -0.44 3.87 0.00 -1.88 -2.60 119.26 120.27 1r56 h ALA 229 Ca 0.25 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1r56 h ALA 229 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1r56 h ALA 229 CO -0.13 0.71 0.10 1.15 0.00 0.00 0.00 179.25 181.07 1r56 h THR 230 N 0.28 1.24 0.00 0.00 2.02 -0.80 -2.27 112.91 113.38 1r56 h THR 230 Ca -0.00 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.27 1r56 h THR 230 Cb 1.11 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1r56 h THR 230 CO 0.10 0.30 -0.33 0.00 0.37 0.00 0.00 175.52 175.95 1r56 h MET 231 N 0.59 0.00 -0.16 6.66 -0.00 -1.21 -1.93 114.93 118.89 1r56 h MET 231 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.68 1r56 h MET 231 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1r56 h MET 231 CO 0.00 0.33 -0.56 -0.92 -0.00 0.00 0.00 176.91 175.77 1r56 h TYR 232 N 0.00 0.59 -0.28 -0.10 3.20 -1.22 -1.60 116.97 117.57 1r56 h TYR 232 Ca -0.00 -0.21 -0.10 0.00 3.14 0.00 0.00 58.73 61.55 1r56 h TYR 232 Cb 0.63 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1r56 h TYR 232 CO 0.00 0.92 -0.26 0.87 -1.64 0.00 0.00 178.16 178.05 1r56 h LYS 233 N 0.36 0.55 0.10 1.82 1.57 -0.93 -1.86 116.57 118.18 1r56 h LYS 233 Ca 0.01 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1r56 h LYS 233 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1r56 h LYS 233 CO 0.10 0.76 -0.05 0.52 -0.57 0.00 0.00 179.45 180.21 1r56 h MET 234 N 0.48 -0.13 -0.79 3.15 2.86 -0.95 -2.80 114.93 116.75 1r56 h MET 234 Ca 0.07 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1r56 h MET 234 Cb 0.71 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 1r56 h MET 234 CO 0.05 0.08 0.52 0.00 1.06 0.00 0.00 176.91 178.63 1r56 h ALA 235 N 0.56 1.00 -0.16 6.32 0.00 -1.09 -2.61 119.26 123.27 1r56 h ALA 235 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1r56 h ALA 235 Cb 0.27 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1r56 h ALA 235 CO 0.02 0.41 -0.24 0.93 0.00 0.00 0.00 179.25 180.37 1r56 h GLU 236 N 1.07 -0.28 -0.89 0.00 5.08 -1.38 -0.61 114.58 117.57 1r56 h GLU 236 Ca 0.29 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1r56 h GLU 236 Cb -0.12 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 1r56 h GLU 236 CO -0.06 -0.19 0.57 1.96 -1.00 0.00 0.00 179.01 180.29 1r56 h GLN 237 N -0.29 1.05 -0.54 2.33 4.20 -1.21 -0.98 115.11 119.67 1r56 h GLN 237 Ca 0.11 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1r56 h GLN 237 Cb 0.46 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1r56 h GLN 237 CO -0.33 0.69 0.04 0.82 -0.67 0.00 0.00 178.83 179.39 1r56 h ILE 238 N 1.08 1.26 -0.48 2.54 2.04 -1.08 -1.31 117.51 121.56 1r56 h ILE 238 Ca 0.37 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 1r56 h ILE 238 Cb 0.08 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1r56 h ILE 238 CO -0.14 0.37 0.01 -0.07 0.00 0.00 0.00 178.15 178.32 1r56 h LEU 239 N 0.80 0.82 -1.22 1.44 3.38 -0.75 -2.59 115.31 117.19 1r56 h LEU 239 Ca 0.16 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1r56 h LEU 239 Cb 0.47 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1r56 h LEU 239 CO 0.02 0.92 0.55 0.00 0.09 0.00 0.00 178.44 180.02 1r56 h ALA 240 N 0.93 1.56 -0.01 1.53 0.00 -1.05 -3.06 119.26 119.16 1r56 h ALA 240 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r56 h ALA 240 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1r56 h ALA 240 CO 0.02 0.33 -0.26 0.54 0.00 0.00 0.00 179.25 179.88 1r56 n ARG 241 N -4.48 0.69 -3.45 0.00 1.74 -0.50 -4.74 116.66 105.92 1r56 n ARG 241 Ca 0.12 -0.38 -0.17 0.00 -0.77 0.00 0.00 57.85 56.65 1r56 n ARG 241 Cb 0.18 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.57 0.24 0.39 5.56 2.00 -1.01 -5.02 119.66 119.25 1r56 s GLN 242 Ca 0.23 0.17 0.20 0.00 -2.00 0.00 0.00 55.36 53.96 1r56 s GLN 242 Cb 0.19 -0.97 0.68 0.00 0.80 0.00 0.00 33.01 33.71 1r56 s GLN 242 CO 0.54 -0.74 1.73 0.37 -0.50 0.00 0.00 175.29 176.68 1r56 h GLN 243 N 8.28 0.00 0.00 1.67 5.75 -1.85 -3.06 115.11 125.90 1r56 h GLN 243 Ca -0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1r56 h GLN 243 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1r56 h GLN 243 CO 0.30 0.33 0.00 1.28 -2.65 0.00 0.00 178.83 178.09 1r56 n LEU 244 N -3.43 0.00 -4.76 -2.39 4.32 -1.26 -4.76 117.00 104.72 1r56 n LEU 244 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.63 1r56 n LEU 244 Cb 0.51 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 1r56 n LEU 244 CO 0.36 0.00 -0.04 -0.63 -1.22 0.00 0.00 177.39 175.86 1r56 s ILE 245 N -2.00 5.31 -0.17 -0.08 -1.09 -1.16 -1.30 121.20 120.70 1r56 s ILE 245 Ca 0.32 0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 59.22 1r56 s ILE 245 Cb 0.15 -3.60 -0.23 0.00 -1.58 0.00 0.00 42.46 37.20 1r56 s ILE 245 CO 0.25 0.45 0.14 -0.62 -1.23 0.00 0.00 174.94 173.92 1r56 n GLU 246 N 3.15 0.72 -3.91 2.79 1.02 0.22 -4.88 120.64 119.75 1r56 n GLU 246 Ca -0.14 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 1r56 n GLU 246 Cb 0.52 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.54 0.13 -0.06 2.62 -4.23 -1.22 -3.80 115.64 106.54 1r56 s THR 247 Ca -0.27 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1r56 s THR 247 Cb 0.08 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1r56 s THR 247 CO 0.71 -0.58 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.35 1r56 s VAL 248 N -2.65 1.39 -0.09 2.29 1.01 0.05 -1.35 120.40 121.05 1r56 s VAL 248 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1r56 s VAL 248 Cb -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1r56 s VAL 248 CO -0.05 0.41 -0.20 -0.70 0.00 0.00 0.00 175.10 174.56 1r56 s GLU 249 N 0.31 2.57 -0.01 2.72 2.12 0.92 -0.23 118.70 127.11 1r56 s GLU 249 Ca -0.10 -0.72 0.08 0.00 0.36 0.00 0.00 54.97 54.59 1r56 s GLU 249 Cb -0.14 -1.99 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 1r56 s GLU 249 CO 0.04 0.13 -0.25 0.71 -0.54 0.00 0.00 175.26 175.35 1r56 s TYR 250 N 0.44 2.36 -0.17 5.30 2.02 -0.73 -0.52 117.35 126.05 1r56 s TYR 250 Ca -0.17 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1r56 s TYR 250 Cb -0.17 -1.49 0.05 0.00 -0.40 0.00 0.00 41.96 39.96 1r56 s TYR 250 CO 0.07 0.02 0.03 0.45 -1.57 0.00 0.00 175.55 174.55 1r56 s SER 251 N -0.78 2.67 -0.26 2.29 0.15 -0.05 -2.33 113.70 115.40 1r56 s SER 251 Ca 0.11 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.10 1r56 s SER 251 Cb -0.10 -0.57 0.06 0.00 -1.71 0.00 0.00 66.02 63.69 1r56 s SER 251 CO -0.00 -0.28 -0.11 -0.76 1.20 0.00 0.00 173.24 173.29 1r56 s LEU 252 N 1.87 3.39 -0.53 3.45 1.43 0.02 -2.32 118.68 126.00 1r56 s LEU 252 Ca 0.00 -1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 51.51 1r56 s LEU 252 Cb -0.16 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1r56 s LEU 252 CO -0.07 -0.19 0.80 -2.84 0.23 0.00 0.00 176.35 174.28 1r56 s PRO 253 N 1.11 3.23 0.61 1.29 0.02 -1.24 -1.59 135.00 138.44 1r56 s PRO 253 Ca -0.09 -0.56 -0.18 0.00 0.02 0.00 0.00 61.00 60.19 1r56 s PRO 253 Cb -0.20 -4.08 -0.05 0.00 0.02 0.00 0.00 34.50 30.20 1r56 s PRO 253 CO -0.05 -1.38 0.95 0.09 -0.33 0.00 0.00 177.00 176.28 1r56 n ASN 254 N 6.89 0.67 -3.86 2.53 5.03 0.19 -3.06 115.26 123.65 1r56 n ASN 254 Ca -0.02 0.79 -0.30 0.00 0.87 0.00 0.00 54.58 55.92 1r56 n ASN 254 Cb 0.46 -1.38 -0.16 0.00 -1.02 0.00 0.00 39.78 37.68 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 -2.78 1.21 0.32 3.52 1.02 -0.62 -4.21 119.74 118.19 1r56 s LYS 255 Ca 0.76 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 55.60 1r56 s LYS 255 Cb -0.41 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.40 1r56 s LYS 255 CO 0.47 -0.70 0.92 -1.01 -0.92 0.00 0.00 175.35 174.11 1r56 s HIS 256 N 1.52 3.66 -0.23 3.18 3.76 -1.26 -4.23 115.29 121.69 1r56 s HIS 256 Ca -0.01 1.73 0.02 0.00 -0.15 0.00 0.00 55.06 56.64 1r56 s HIS 256 Cb -0.18 -2.88 0.05 0.00 1.11 0.00 0.00 32.58 30.68 1r56 s HIS 256 CO -0.10 0.20 -0.09 0.71 -0.85 0.00 0.00 174.74 174.61 1r56 s TYR 257 N -1.65 2.70 0.15 1.40 1.51 -1.26 -0.54 117.35 119.66 1r56 s TYR 257 Ca 0.50 -1.89 -0.17 0.00 -1.01 0.00 0.00 57.07 54.51 1r56 s TYR 257 Cb -0.18 -1.72 -0.07 0.00 -0.11 0.00 0.00 41.96 39.88 1r56 s TYR 257 CO 0.23 -0.80 0.60 -0.06 -1.11 0.00 0.00 175.55 174.41 1r56 s PHE 258 N 1.30 3.67 0.36 2.71 0.40 0.61 -4.84 117.98 122.19 1r56 s PHE 258 Ca -0.05 1.21 -0.27 0.00 -0.60 0.00 0.00 56.93 57.22 1r56 s PHE 258 Cb -0.18 -2.47 -0.09 0.00 0.51 0.00 0.00 43.02 40.78 1r56 s PHE 258 CO -0.07 0.45 1.16 -1.21 0.70 0.00 0.00 175.22 176.25 1r56 s GLU 259 N -1.74 4.27 -0.33 0.44 2.02 -1.26 0.14 118.70 122.24 1r56 s GLU 259 Ca 0.37 1.85 -0.07 0.00 0.02 0.00 0.00 54.97 57.14 1r56 s GLU 259 Cb -0.17 -2.86 0.03 0.00 0.10 0.00 0.00 34.13 31.24 1r56 s GLU 259 CO 0.20 -0.13 0.11 0.42 0.02 0.00 0.00 175.26 175.87 1r56 s ILE 260 N -1.33 3.90 -0.37 -1.63 1.01 -1.24 -4.84 121.20 116.69 1r56 s ILE 260 Ca 0.52 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 1r56 s ILE 260 Cb -0.31 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.00 1r56 s ILE 260 CO 0.40 -0.13 1.26 -0.62 0.00 0.00 0.00 174.94 175.85 1r56 s ASP 261 N 1.44 6.61 0.00 3.58 2.15 -1.26 -4.60 116.67 124.58 1r56 s ASP 261 Ca -0.00 0.92 0.11 0.00 0.43 0.00 0.00 52.55 54.01 1r56 s ASP 261 Cb -0.19 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.19 1r56 s ASP 261 CO 0.03 -1.19 1.24 0.18 -0.17 0.00 0.00 175.17 175.26 1r56 n LEU 262 N 7.89 2.89 0.27 -1.34 4.77 -1.26 -4.71 117.00 125.51 1r56 n LEU 262 Ca 0.14 -1.95 0.18 0.00 -0.03 0.00 0.00 56.01 54.35 1r56 n LEU 262 Cb 0.48 -0.22 0.89 0.00 -2.33 0.00 0.00 43.42 42.24 1r56 n LEU 262 CO 0.66 0.72 1.04 0.77 -1.33 0.00 0.00 177.39 179.25 1r56 h SER 263 N 2.05 0.00 0.66 -1.43 4.64 -1.71 -1.05 113.55 116.70 1r56 h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 263 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1r56 h SER 263 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 1r56 n TRP 264 N -2.88 0.32 -3.70 4.77 4.27 -1.26 -2.07 117.44 116.89 1r56 n TRP 264 Ca -0.01 0.12 -0.37 0.00 -3.89 0.00 0.00 57.50 53.35 1r56 n TRP 264 Cb 0.15 -0.70 -0.10 0.00 -1.36 0.00 0.00 31.31 29.31 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 -3.11 3.48 -1.42 -2.67 5.04 -0.40 -4.67 115.29 111.54 1r56 s HIS 265 Ca 0.07 -2.49 -0.09 0.00 -1.54 0.00 0.00 55.06 51.01 1r56 s HIS 265 Cb 0.10 -3.27 0.05 0.00 0.04 0.00 0.00 32.58 29.50 1r56 s HIS 265 CO 0.34 -0.91 0.64 1.63 -2.34 0.00 0.00 174.74 174.10 1r56 n LYS 266 N 4.02 -4.44 -1.88 2.88 5.02 -1.26 -1.54 118.16 120.96 1r56 n LYS 266 Ca 0.03 0.66 -0.19 0.00 -2.02 0.00 0.00 58.31 56.78 1r56 n LYS 266 Cb 0.40 -5.46 -0.05 0.00 -0.02 0.00 0.00 35.03 29.89 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 -1.41 0.96 3.68 0.72 0.00 -0.88 -4.95 105.19 103.31 1r56 n GLY 267 Ca -0.04 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 1r56 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r56 n LEU 268 N -2.43 3.27 -4.44 0.99 7.94 -0.59 -4.81 117.00 116.94 1r56 n LEU 268 Ca -0.21 1.11 -0.37 0.00 -1.11 0.00 0.00 56.01 55.43 1r56 n LEU 268 Cb 0.65 -1.45 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 1r56 n LEU 268 CO 0.28 -0.29 -0.27 -1.10 -1.11 0.00 0.00 177.39 174.90 1r56 s GLN 269 N 0.36 3.59 0.00 1.96 -1.52 -1.26 -1.99 119.66 120.80 1r56 s GLN 269 Ca 0.74 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.63 1r56 s GLN 269 Cb -0.64 -3.35 0.00 0.00 -0.22 0.00 0.00 33.01 28.80 1r56 s GLN 269 CO 0.42 -0.22 0.74 -1.71 -0.25 0.00 0.00 175.29 174.27 1r56 n ASN 270 N 4.93 0.00 -4.74 5.90 5.15 -1.26 -4.75 115.26 120.49 1r56 n ASN 270 Ca -0.16 -1.51 -0.23 0.00 -0.60 0.00 0.00 54.58 52.08 1r56 n ASN 270 Cb 0.51 -0.10 -0.06 0.00 -0.53 0.00 0.00 39.78 39.59 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 0.00 2.85 0.00 -0.44 -4.23 -1.26 -3.63 115.64 108.94 1r56 s THR 271 Ca 0.00 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1r56 s THR 271 Cb 0.00 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1r56 s THR 271 CO 0.00 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1r56 n GLY 272 N -1.17 2.96 0.18 3.99 0.00 -1.26 -0.61 105.19 109.27 1r56 n GLY 272 Ca -0.02 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1r56 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r56 h LYS 273 N 0.00 0.00 -0.07 1.61 3.64 -1.99 -2.44 116.57 117.33 1r56 h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r56 h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1r56 h LYS 273 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1r56 n ASN 274 N -2.53 2.47 -4.63 4.20 4.13 0.22 -4.96 115.26 114.17 1r56 n ASN 274 Ca 0.02 -1.82 -0.43 0.00 1.68 0.00 0.00 54.58 54.03 1r56 n ASN 274 Cb 0.27 -0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.45 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 -1.94 3.12 0.00 5.41 0.00 -0.92 -4.20 121.76 123.23 1r56 s ALA 275 Ca 0.33 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1r56 s ALA 275 Cb 0.20 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1r56 s ALA 275 CO 0.31 -2.23 0.00 0.39 0.00 0.00 0.00 175.76 174.23 1r56 n GLU 276 N 8.15 1.95 -3.85 0.00 1.02 -1.26 -4.97 120.64 121.68 1r56 n GLU 276 Ca 0.24 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 1r56 n GLU 276 Cb 0.44 -0.95 -0.12 0.00 -0.02 0.00 0.00 31.44 30.79 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 -1.90 4.32 0.32 2.62 1.01 -1.26 -5.10 120.40 120.41 1r56 s VAL 277 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.90 1r56 s VAL 277 Cb 0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1r56 s VAL 277 CO 0.00 0.37 -0.11 -0.36 0.00 0.00 0.00 175.10 175.00 1r56 s PHE 278 N 1.34 2.31 -0.36 5.22 0.40 -1.26 -3.68 117.98 121.94 1r56 s PHE 278 Ca 0.05 -0.49 -0.05 0.00 -0.60 0.00 0.00 56.93 55.83 1r56 s PHE 278 Cb -0.15 -1.26 0.06 0.00 0.51 0.00 0.00 43.02 42.19 1r56 s PHE 278 CO 0.03 0.57 0.12 0.00 0.70 0.00 0.00 175.22 176.64 1r56 s ALA 279 N -2.65 3.05 0.16 5.36 0.00 0.12 -4.92 121.76 122.88 1r56 s ALA 279 Ca 0.31 -1.97 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 1r56 s ALA 279 Cb 0.01 -2.27 -0.09 0.00 0.00 0.00 0.00 23.12 20.76 1r56 s ALA 279 CO 0.15 -1.46 1.50 -2.14 0.00 0.00 0.00 175.76 173.81 1r56 s PRO 280 N 1.32 4.26 -0.24 0.00 0.02 -1.26 -0.28 135.00 138.81 1r56 s PRO 280 Ca 0.00 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 1r56 s PRO 280 Cb -0.21 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.09 1r56 s PRO 280 CO 0.00 -0.53 0.18 -0.65 -0.33 0.00 0.00 177.00 175.68 1r56 s GLN 281 N 0.91 4.07 0.25 5.54 -1.52 0.30 -4.93 119.66 124.29 1r56 s GLN 281 Ca 0.67 -0.24 0.11 0.00 -1.95 0.00 0.00 55.36 53.95 1r56 s GLN 281 Cb -0.41 -3.55 0.27 0.00 -0.22 0.00 0.00 33.01 29.10 1r56 s GLN 281 CO 0.33 0.03 1.56 0.77 -0.25 0.00 0.00 175.29 177.72 1r56 h SER 282 N 7.58 0.00 -4.42 5.90 0.02 -1.94 -3.37 113.55 117.32 1r56 h SER 282 Ca -0.38 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.66 1r56 h SER 282 Cb 1.17 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.52 1r56 h SER 282 CO 0.65 0.66 0.51 1.51 -1.14 0.00 0.00 176.83 179.02 1r56 s ASP 283 N -6.76 -0.38 0.74 3.07 1.47 -1.26 -4.84 116.67 108.71 1r56 s ASP 283 Ca -0.01 0.23 -0.03 0.00 1.18 0.00 0.00 52.55 53.92 1r56 s ASP 283 Cb 0.12 0.35 0.09 0.00 -0.34 0.00 0.00 42.92 43.14 1r56 s ASP 283 CO 0.76 -0.48 0.59 -0.81 0.68 0.00 0.00 175.17 175.91 1r56 n PRO 284 N 0.27 -0.12 -3.84 2.11 -0.04 -1.26 -5.10 135.00 127.02 1r56 n PRO 284 Ca -0.10 -1.29 -0.12 0.00 -0.04 0.00 0.00 63.50 61.96 1r56 n PRO 284 Cb 0.60 -0.49 -0.11 0.00 -0.04 0.00 0.00 33.50 33.46 1r56 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r56 s ASN 285 N -3.29 -0.08 0.63 3.54 4.22 -1.26 -4.70 114.94 114.01 1r56 s ASN 285 Ca 0.36 0.08 -0.16 0.00 -2.14 0.00 0.00 52.86 51.00 1r56 s ASN 285 Cb -0.02 0.29 -0.01 0.00 1.28 0.00 0.00 41.25 42.79 1r56 s ASN 285 CO 0.25 -0.22 1.11 -0.83 -2.04 0.00 0.00 177.10 175.36 1r56 s GLY 286 N -0.66 2.22 -0.05 0.45 0.00 -1.26 -4.82 107.32 103.20 1r56 s GLY 286 Ca -0.08 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.19 1r56 s GLY 286 CO 0.01 0.91 0.08 -2.27 0.00 0.00 0.00 173.10 171.83 1r56 s LEU 287 N -4.66 0.20 -0.08 0.66 2.96 -1.26 -0.64 118.68 115.85 1r56 s LEU 287 Ca 0.67 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 1r56 s LEU 287 Cb -0.20 -0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.45 1r56 s LEU 287 CO 0.39 -0.24 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.36 1r56 s ILE 288 N 2.07 1.70 0.22 6.68 1.09 -0.62 -4.98 121.20 127.36 1r56 s ILE 288 Ca 0.03 -0.82 0.04 0.00 -1.10 0.00 0.00 60.65 58.80 1r56 s ILE 288 Cb -0.12 -1.49 -0.05 0.00 -1.06 0.00 0.00 42.46 39.74 1r56 s ILE 288 CO -0.04 0.48 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.73 1r56 s LYS 289 N 0.41 1.29 -0.16 2.79 1.02 -1.26 -0.80 119.74 123.04 1r56 s LYS 289 Ca -0.16 -1.64 -0.31 0.00 0.02 0.00 0.00 55.97 53.88 1r56 s LYS 289 Cb -0.17 -0.61 0.14 0.00 -0.52 0.00 0.00 37.83 36.67 1r56 s LYS 289 CO 0.07 -0.07 1.08 0.00 -0.92 0.00 0.00 175.35 175.50 1r56 s THR 291 N -1.73 1.73 -0.18 0.00 2.01 -1.26 -1.78 115.64 114.43 1r56 s THR 291 Ca 0.04 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1r56 s THR 291 Cb -0.01 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1r56 s THR 291 CO -0.03 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.56 1r56 s VAL 292 N 1.00 2.71 0.00 3.82 1.01 0.68 -4.97 120.40 124.65 1r56 s VAL 292 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1r56 s VAL 292 Cb -0.15 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1r56 s VAL 292 CO -0.03 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1r56 n GLY 293 N 4.43 3.61 3.90 4.51 0.00 -1.26 -0.77 105.19 119.61 1r56 n GLY 293 Ca -0.19 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.82 3.61 0.00 1.61 0.52 -1.25 -5.00 118.95 116.62 1r56 s ARG 294 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 1r56 s ARG 294 Cb 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1r56 s ARG 294 CO 0.00 0.48 0.36 0.43 0.02 0.00 0.00 175.30 176.59