#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogy s ARG 13 N 0.00 3.03 -0.22 0.38 0.52 -0.79 -4.94 118.95 116.93 1ogy s ARG 13 Ca 0.00 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.18 1ogy s ARG 13 Cb 0.00 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1ogy s ARG 13 CO 0.00 -0.41 0.34 -1.58 0.02 0.00 0.00 175.30 173.67 1ogy s TRP 14 N 1.44 3.35 0.05 -0.53 0.52 -1.26 -0.41 118.94 122.10 1ogy s TRP 14 Ca 0.02 0.51 0.09 0.00 0.02 0.00 0.00 56.10 56.73 1ogy s TRP 14 Cb -0.17 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1ogy s TRP 14 CO -0.00 -0.01 -0.24 -1.12 0.02 0.00 0.00 176.95 175.60 1ogy s SER 15 N 1.10 2.89 0.29 2.95 0.01 0.11 -4.93 113.70 116.12 1ogy s SER 15 Ca 0.16 -0.58 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 1ogy s SER 15 Cb -0.15 -0.25 -0.10 0.00 0.21 0.00 0.00 66.02 65.74 1ogy s SER 15 CO 0.07 0.21 1.15 -0.75 0.41 0.00 0.00 173.24 174.33 1ogy s LYS 16 N -1.30 4.58 -0.27 12.44 2.20 -1.26 0.41 119.74 136.54 1ogy s LYS 16 Ca 0.10 1.90 -0.26 0.00 -0.36 0.00 0.00 55.97 57.35 1ogy s LYS 16 Cb -0.10 -3.16 0.15 0.00 -1.51 0.00 0.00 37.83 33.21 1ogy s LYS 16 CO 0.02 0.12 1.17 0.00 -0.36 0.00 0.00 175.35 176.30 1ogy s ALA 17 N -1.14 -2.05 0.18 3.13 0.00 -0.20 -4.63 121.76 117.06 1ogy s ALA 17 Ca 0.46 1.78 -0.24 0.00 0.00 0.00 0.00 51.96 53.96 1ogy s ALA 17 Cb -0.34 -1.45 -0.08 0.00 0.00 0.00 0.00 23.12 21.25 1ogy s ALA 17 CO 0.44 -0.20 0.77 -1.25 0.00 0.00 0.00 175.76 175.51 1ogy s PRO 18 N -0.07 4.50 0.15 0.00 0.04 -1.26 0.20 135.00 138.57 1ogy s PRO 18 Ca 0.04 1.10 -0.34 0.00 0.04 0.00 0.00 61.00 61.85 1ogy s PRO 18 Cb -0.04 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.17 1ogy s PRO 18 CO -0.08 0.53 1.26 0.00 0.04 0.00 0.00 177.00 178.75 1ogy n ARG 20 N 2.09 0.79 0.00 0.00 3.00 -1.26 -4.71 116.66 116.57 1ogy n ARG 20 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1ogy n ARG 20 Cb 0.24 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.40 1ogy n ARG 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ogy n PHE 21 N -0.80 0.00 -0.17 -0.14 0.99 -1.26 -4.82 117.46 111.26 1ogy n PHE 21 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.51 1ogy n PHE 21 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.53 1ogy n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ogy n GLY 23 N 0.36 -1.05 0.29 0.00 0.00 0.26 -3.41 105.19 101.64 1ogy n GLY 23 Ca 0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1ogy n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ogy h THR 24 N 0.16 0.50 -0.57 2.61 2.02 -1.83 -1.47 112.91 114.33 1ogy h THR 24 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1ogy h THR 24 Cb 0.16 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1ogy h THR 24 CO 0.00 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.51 1ogy n GLY 25 N -1.34 0.73 3.76 2.16 0.00 -1.22 -4.49 105.19 104.80 1ogy n GLY 25 Ca -0.12 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1ogy n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s GLY 27 N -2.20 2.42 0.20 0.00 0.00 -1.26 -1.28 107.32 105.21 1ogy s GLY 27 Ca 0.71 -0.23 0.11 0.00 0.00 0.00 0.00 44.72 45.31 1ogy s GLY 27 CO 0.38 0.38 -0.23 0.14 0.00 0.00 0.00 173.10 173.77 1ogy s VAL 28 N -0.35 2.33 -0.28 1.40 1.01 0.13 -1.38 120.40 123.26 1ogy s VAL 28 Ca 0.24 -2.05 0.03 0.00 0.00 0.00 0.00 61.98 60.19 1ogy s VAL 28 Cb -0.16 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.17 1ogy s VAL 28 CO 0.11 -0.15 -0.05 -0.04 0.00 0.00 0.00 175.10 174.97 1ogy s MET 29 N -2.74 1.90 -0.09 2.72 -1.94 -0.44 -1.03 119.30 117.68 1ogy s MET 29 Ca 0.21 -1.47 -0.29 0.00 -1.71 0.00 0.00 55.69 52.43 1ogy s MET 29 Cb -0.08 -2.93 -0.01 0.00 2.01 0.00 0.00 34.83 33.82 1ogy s MET 29 CO 0.10 -0.70 0.99 0.08 -0.01 0.00 0.00 175.02 175.49 1ogy s VAL 30 N 1.08 4.80 -0.22 -6.03 1.01 0.17 -1.85 120.40 119.36 1ogy s VAL 30 Ca -0.02 2.03 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 1ogy s VAL 30 Cb -0.19 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1ogy s VAL 30 CO -0.07 0.03 0.39 -0.83 0.00 0.00 0.00 175.10 174.63 1ogy s GLY 31 N 1.08 2.04 -0.05 4.51 0.00 0.14 -0.71 107.32 114.33 1ogy s GLY 31 Ca 0.48 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.67 1ogy s GLY 31 CO 0.19 0.85 -0.22 -1.59 0.00 0.00 0.00 173.10 172.33 1ogy s THR 32 N 1.48 1.78 -0.12 0.90 2.01 0.45 0.17 115.64 122.30 1ogy s THR 32 Ca 0.18 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 1ogy s THR 32 Cb -0.15 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 70.90 1ogy s THR 32 CO 0.08 0.50 0.29 -0.60 -0.69 0.00 0.00 174.62 174.20 1ogy s ARG 33 N -0.16 0.24 -1.43 4.92 3.52 0.48 -1.89 118.95 124.64 1ogy s ARG 33 Ca -0.02 0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1ogy s ARG 33 Cb -0.12 -0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.22 1ogy s ARG 33 CO 0.02 -0.18 0.59 -0.25 -0.81 0.00 0.00 175.30 174.67 1ogy n ASP 34 N 4.41 -1.32 -1.30 -2.12 9.92 -1.26 -1.12 116.55 123.77 1ogy n ASP 34 Ca -0.22 -0.94 -0.16 0.00 -0.53 0.00 0.00 54.79 52.95 1ogy n ASP 34 Cb 0.53 -3.37 -0.06 0.00 -0.64 0.00 0.00 41.12 37.58 1ogy n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ogy n GLY 35 N -1.79 1.28 3.17 0.44 0.00 -1.26 -4.99 105.19 102.05 1ogy n GLY 35 Ca -0.23 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1ogy n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogy s GLN 36 N -3.56 0.91 -0.28 1.61 -1.52 -0.27 -4.55 119.66 112.00 1ogy s GLN 36 Ca 0.00 -0.89 -0.21 0.00 -1.95 0.00 0.00 55.36 52.31 1ogy s GLN 36 Cb 0.00 -0.94 -0.01 0.00 -0.22 0.00 0.00 33.01 31.84 1ogy s GLN 36 CO 0.00 0.22 0.67 0.08 -0.25 0.00 0.00 175.29 176.01 1ogy s VAL 37 N -1.07 4.93 -0.60 1.09 1.01 -1.26 -0.39 120.40 124.10 1ogy s VAL 37 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1ogy s VAL 37 Cb -0.09 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1ogy s VAL 37 CO 0.02 -0.08 0.64 1.33 0.00 0.00 0.00 175.10 177.01 1ogy n VAL 38 N 5.32 0.00 -3.54 2.92 0.24 0.13 -4.95 118.33 118.45 1ogy n VAL 38 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 1ogy n VAL 38 Cb 0.49 1.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.90 1ogy n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ogy s ALA 39 N -0.43 -1.83 -0.26 2.33 0.00 -1.14 -4.99 121.76 115.44 1ogy s ALA 39 Ca 0.06 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 1ogy s ALA 39 Cb 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.03 1ogy s ALA 39 CO 0.06 -0.38 0.11 0.99 0.00 0.00 0.00 175.76 176.54 1ogy s THR 40 N -1.36 0.16 0.43 0.00 2.01 -1.26 0.23 115.64 115.85 1ogy s THR 40 Ca -0.06 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.26 1ogy s THR 40 Cb -0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1ogy s THR 40 CO 0.05 -0.59 0.26 -1.00 -0.69 0.00 0.00 174.62 172.65 1ogy s HIS 41 N 2.00 2.48 0.05 4.92 3.76 -0.77 -4.65 115.29 123.07 1ogy s HIS 41 Ca 0.07 -0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 54.13 1ogy s HIS 41 Cb -0.16 -2.00 -0.06 0.00 1.11 0.00 0.00 32.58 31.47 1ogy s HIS 41 CO -0.27 0.02 0.72 0.20 -0.85 0.00 0.00 174.74 174.56 1ogy s GLY 42 N -4.01 2.76 -0.74 -2.22 0.00 -1.26 -1.33 107.32 100.52 1ogy s GLY 42 Ca 0.41 0.22 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 1ogy s GLY 42 CO 0.23 0.97 1.44 -0.35 0.00 0.00 0.00 173.10 175.39 1ogy s ASP 43 N -0.23 5.96 0.00 1.64 -1.08 -0.48 -4.37 116.67 118.10 1ogy s ASP 43 Ca 0.36 -0.35 0.07 0.00 -0.52 0.00 0.00 52.55 52.11 1ogy s ASP 43 Cb -0.20 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.01 1ogy s ASP 43 CO 0.22 -1.96 1.15 0.35 0.52 0.00 0.00 175.17 175.45 1ogy n THR 44 N 6.64 1.29 1.05 1.71 -2.24 -1.26 -1.61 114.28 119.86 1ogy n THR 44 Ca 0.10 0.32 0.12 0.00 -2.27 0.00 0.00 64.05 62.32 1ogy n THR 44 Cb 0.50 -1.21 0.10 0.00 -2.10 0.00 0.00 70.33 67.62 1ogy n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ogy n GLN 45 N -1.41 1.79 -3.18 -0.78 1.13 -1.26 -4.52 117.38 109.14 1ogy n GLN 45 Ca 0.02 -1.45 -0.39 0.00 -1.94 0.00 0.00 57.00 53.25 1ogy n GLN 45 Cb 0.07 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 28.89 1ogy n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ogy s ALA 46 N -2.20 3.45 0.25 -1.58 0.00 -0.64 -4.86 121.76 116.17 1ogy s ALA 46 Ca 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1ogy s ALA 46 Cb 0.19 -2.78 0.30 0.00 0.00 0.00 0.00 23.12 20.83 1ogy s ALA 46 CO 0.42 0.08 1.71 0.93 0.00 0.00 0.00 175.76 178.89 1ogy h GLU 47 N 6.07 0.72 0.00 0.00 4.39 -1.89 -1.40 114.58 122.47 1ogy h GLU 47 Ca -0.44 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.02 1ogy h GLU 47 Cb 1.20 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1ogy h GLU 47 CO 0.72 0.82 0.00 0.28 -1.16 0.00 0.00 179.01 179.67 1ogy n VAL 48 N -4.16 0.00 -0.02 3.13 0.31 -1.26 -4.39 118.33 111.93 1ogy n VAL 48 Ca 0.01 1.39 -0.21 0.00 -0.01 0.00 0.00 64.34 65.52 1ogy n VAL 48 Cb 0.37 -2.24 -0.13 0.00 -0.91 0.00 0.00 33.84 30.92 1ogy n VAL 48 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ogy n ASN 49 N -1.91 2.08 -2.70 4.52 6.94 -1.25 -5.02 115.26 117.93 1ogy n ASN 49 Ca 0.00 0.18 -0.06 0.00 -0.02 0.00 0.00 54.58 54.68 1ogy n ASN 49 Cb 0.00 -0.81 0.03 0.00 -2.36 0.00 0.00 39.78 36.63 1ogy n ASN 49 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ogy n ARG 50 N -3.55 -1.31 -0.94 -3.83 1.74 -0.53 -3.77 116.66 104.47 1ogy n ARG 50 Ca -0.34 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1ogy n ARG 50 Cb 1.01 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 27.84 1ogy n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 51 N -1.42 0.77 3.38 -0.13 0.00 -0.63 -4.72 105.19 102.43 1ogy n GLY 51 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1ogy n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 52 N 0.00 2.43 0.00 0.99 1.02 -1.25 -4.23 118.68 117.65 1ogy s LEU 52 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.82 1ogy s LEU 52 Cb 0.00 -1.48 -0.01 0.00 0.02 0.00 0.00 46.19 44.73 1ogy s LEU 52 CO 0.00 0.29 0.07 0.59 0.02 0.00 0.00 176.35 177.32 1ogy n ASN 53 N 2.68 0.87 -3.00 2.29 5.03 -1.26 -4.71 115.26 117.15 1ogy n ASN 53 Ca -0.17 -1.96 -0.11 0.00 0.87 0.00 0.00 54.58 53.20 1ogy n ASN 53 Cb 0.52 0.50 -0.02 0.00 -1.02 0.00 0.00 39.78 39.76 1ogy n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ogy h VAL 55 N 0.97 0.25 -0.63 0.00 2.07 -2.01 -0.98 116.25 115.92 1ogy h VAL 55 Ca -0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1ogy h VAL 55 Cb 0.47 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1ogy h VAL 55 CO 0.24 0.00 0.42 0.11 0.02 0.00 0.00 177.57 178.37 1ogy h LYS 56 N -0.43 0.35 0.36 1.57 1.57 -1.90 -2.47 116.57 115.61 1ogy h LYS 56 Ca 0.09 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1ogy h LYS 56 Cb 0.57 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ogy h LYS 56 CO -0.35 0.23 -0.17 0.78 -0.57 0.00 0.00 179.45 179.36 1ogy h GLY 57 N 0.36 -0.51 1.67 3.86 0.00 -1.56 -2.96 103.07 103.92 1ogy h GLY 57 Ca 0.30 0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.86 1ogy h GLY 57 CO -0.08 -0.18 0.12 -0.97 0.00 0.00 0.00 176.54 175.43 1ogy h TYR 58 N -0.77 0.00 -0.54 5.60 0.99 -1.12 -0.86 116.97 120.27 1ogy h TYR 58 Ca -0.05 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.54 1ogy h TYR 58 Cb 0.51 0.00 -0.08 0.00 1.00 0.00 0.00 36.73 38.16 1ogy h TYR 58 CO 0.01 0.00 0.17 1.19 -0.00 0.00 0.00 178.16 179.53 1ogy n PHE 59 N -4.20 1.83 0.23 4.88 3.01 -0.96 -4.10 117.46 118.14 1ogy n PHE 59 Ca 0.01 -0.88 0.09 0.00 1.01 0.00 0.00 57.45 57.67 1ogy n PHE 59 Cb 0.25 -0.54 0.56 0.00 -0.01 0.00 0.00 39.48 39.74 1ogy n PHE 59 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ogy h LEU 60 N 2.29 0.00 -2.00 4.37 3.38 -1.04 -2.60 115.31 119.71 1ogy h LEU 60 Ca 0.17 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.28 1ogy h LEU 60 Cb 1.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1ogy h LEU 60 CO 0.53 0.22 0.36 0.77 0.09 0.00 0.00 178.44 180.41 1ogy h SER 61 N 0.00 0.00 -0.46 -0.43 4.64 -1.81 -2.26 113.55 113.22 1ogy h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ogy h SER 61 Cb 0.51 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ogy h SER 61 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1ogy n LYS 62 N -4.39 2.53 0.05 4.77 5.02 -0.98 -4.60 118.16 120.57 1ogy n LYS 62 Ca 0.09 -2.33 -0.13 0.00 -2.02 0.00 0.00 58.31 53.92 1ogy n LYS 62 Cb 0.57 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1ogy n LYS 62 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ogy h ILE 63 N 4.38 1.38 -0.18 -0.18 2.04 -1.51 -3.22 117.51 120.22 1ogy h ILE 63 Ca 0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1ogy h ILE 63 Cb 0.97 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1ogy h ILE 63 CO 0.00 0.69 0.00 0.23 0.00 0.00 0.00 178.15 179.07 1ogy n MET 64 N -3.79 1.66 -0.34 2.37 0.00 -1.26 -4.35 117.12 111.40 1ogy n MET 64 Ca -0.06 -1.00 0.08 0.00 0.00 0.00 0.00 57.70 56.72 1ogy n MET 64 Cb 0.79 -1.35 0.22 0.00 0.00 0.00 0.00 33.22 32.87 1ogy n MET 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1ogy n TYR 65 N 0.24 0.72 -1.64 2.03 0.53 -1.22 -4.92 117.16 112.91 1ogy n TYR 65 Ca 0.15 -0.83 -0.35 0.00 -1.02 0.00 0.00 57.90 55.85 1ogy n TYR 65 Cb 0.29 -0.24 0.07 0.00 -1.03 0.00 0.00 39.34 38.43 1ogy n TYR 65 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1ogy s GLY 66 N -1.89 2.52 0.00 2.72 0.00 -1.26 -4.87 107.32 104.55 1ogy s GLY 66 Ca 0.37 0.96 0.20 0.00 0.00 0.00 0.00 44.72 46.25 1ogy s GLY 66 CO 0.09 1.36 1.62 -1.84 0.00 0.00 0.00 173.10 174.33 1ogy n GLU 67 N -2.29 0.46 0.05 2.90 0.28 -1.26 -3.20 120.64 117.58 1ogy n GLU 67 Ca 0.14 0.05 -0.09 0.00 -0.16 0.00 0.00 57.16 57.10 1ogy n GLU 67 Cb 0.50 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.74 1ogy n GLU 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ogy h ASP 68 N 0.00 0.07 0.00 -1.84 3.32 -1.95 -3.48 116.42 112.53 1ogy h ASP 68 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ogy h ASP 68 Cb 0.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ogy h ASP 68 CO 0.00 1.06 0.00 0.54 -1.72 0.00 0.00 179.24 179.12 1ogy n ARG 69 N -3.32 0.00 -1.91 3.56 5.12 -1.19 -4.66 116.66 114.25 1ogy n ARG 69 Ca -0.05 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.46 1ogy n ARG 69 Cb 0.97 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 32.25 1ogy n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ogy s LEU 70 N 0.00 4.37 0.00 0.55 1.43 -1.05 -4.90 118.68 119.08 1ogy s LEU 70 Ca 0.00 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1ogy s LEU 70 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1ogy s LEU 70 CO 0.00 -0.80 0.00 0.35 0.23 0.00 0.00 176.35 176.13 1ogy n THR 71 N 2.74 0.00 -3.93 5.49 -2.24 -1.26 -4.66 114.28 110.43 1ogy n THR 71 Ca 0.09 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1ogy n THR 71 Cb 0.39 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.34 1ogy n THR 71 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ogy s THR 72 N -1.09 0.08 0.58 4.28 2.01 -1.26 -1.19 115.64 119.05 1ogy s THR 72 Ca 0.00 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 1ogy s THR 72 Cb 0.00 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.37 1ogy s THR 72 CO 0.00 -0.06 1.30 -2.84 -0.69 0.00 0.00 174.62 172.32 1ogy s PRO 73 N -0.25 2.96 -0.23 4.92 0.02 -1.25 -4.61 135.00 136.55 1ogy s PRO 73 Ca -0.02 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1ogy s PRO 73 Cb -0.02 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.49 1ogy s PRO 73 CO -0.00 -1.29 -0.04 -0.51 -0.33 0.00 0.00 177.00 174.83 1ogy s LEU 74 N -3.87 2.42 0.24 -5.54 2.01 -0.60 -2.36 118.68 110.99 1ogy s LEU 74 Ca 0.76 -1.14 0.03 0.00 0.01 0.00 0.00 54.13 53.79 1ogy s LEU 74 Cb -0.37 -1.12 -0.03 0.00 0.01 0.00 0.00 46.19 44.68 1ogy s LEU 74 CO 0.42 -0.24 0.39 -0.22 1.01 0.00 0.00 176.35 177.70 1ogy s LEU 75 N 1.44 4.25 -1.14 1.79 2.96 -0.59 -2.07 118.68 125.32 1ogy s LEU 75 Ca -0.05 0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1ogy s LEU 75 Cb -0.19 -3.01 0.15 0.00 0.50 0.00 0.00 46.19 43.64 1ogy s LEU 75 CO -0.06 -0.09 1.38 -0.13 -1.32 0.00 0.00 176.35 176.13 1ogy s ARG 76 N -3.81 3.95 0.00 1.98 0.52 -1.08 0.22 118.95 120.73 1ogy s ARG 76 Ca 0.36 -2.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 1ogy s ARG 76 Cb -0.10 -5.07 0.00 0.00 0.52 0.00 0.00 34.95 30.30 1ogy s ARG 76 CO 0.30 -1.81 0.00 -1.33 0.02 0.00 0.00 175.30 172.48 1ogy n MET 77 N 6.15 0.00 0.13 3.54 2.81 -1.20 -1.40 117.12 127.15 1ogy n MET 77 Ca 0.34 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.18 1ogy n MET 77 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.93 1ogy n MET 77 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ogy h LYS 78 N 0.00 -0.32 -6.02 0.03 3.64 -1.82 -3.37 116.57 108.70 1ogy h LYS 78 Ca 0.00 0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.86 1ogy h LYS 78 Cb 0.00 0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 31.72 1ogy h LYS 78 CO 0.00 -0.21 -0.78 -0.51 -2.27 0.00 0.00 179.45 175.67 1ogy s ASP 79 N -2.67 2.86 0.00 4.20 1.11 -1.26 -4.51 116.67 116.40 1ogy s ASP 79 Ca -0.05 -0.89 0.00 0.00 0.18 0.00 0.00 52.55 51.79 1ogy s ASP 79 Cb 0.00 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.81 1ogy s ASP 79 CO 0.15 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.09 1ogy n GLY 80 N 0.15 1.00 0.00 0.21 0.00 -1.26 -4.85 105.19 100.44 1ogy n GLY 80 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1ogy n GLY 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ogy n VAL 81 N -0.60 0.00 0.00 1.61 0.31 -1.26 -4.89 118.33 113.49 1ogy n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ogy n VAL 81 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ogy n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ogy n TYR 82 N 0.00 0.00 -3.78 3.52 9.36 -1.26 -4.65 117.16 120.35 1ogy n TYR 82 Ca 0.00 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.02 1ogy n TYR 82 Cb 0.00 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.54 1ogy n TYR 82 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ogy s HIS 83 N 0.00 0.37 -0.38 2.98 5.65 -0.50 -5.01 115.29 118.40 1ogy s HIS 83 Ca 0.00 0.02 -0.28 0.00 0.25 0.00 0.00 55.06 55.05 1ogy s HIS 83 Cb 0.00 -0.59 -0.01 0.00 -1.18 0.00 0.00 32.58 30.80 1ogy s HIS 83 CO 0.00 -0.23 1.70 0.21 -0.65 0.00 0.00 174.74 175.78 1ogy s LYS 84 N 1.78 3.33 0.00 2.88 2.20 -1.26 0.33 119.74 128.99 1ogy s LYS 84 Ca 0.01 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1ogy s LYS 84 Cb -0.13 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 1ogy s LYS 84 CO -0.03 -1.86 0.00 -1.91 -0.36 0.00 0.00 175.35 171.18 1ogy n GLU 85 N 8.41 0.00 0.00 4.03 2.13 -1.26 -5.05 120.64 128.90 1ogy n GLU 85 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1ogy n GLU 85 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1ogy n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ogy n GLY 86 N 0.00 1.28 0.00 8.31 0.00 0.15 -5.13 105.19 109.80 1ogy n GLY 86 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1ogy n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ogy n GLU 87 N 0.00 2.26 -4.35 1.61 1.02 -1.26 -4.96 120.64 114.96 1ogy n GLU 87 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1ogy n GLU 87 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1ogy n GLU 87 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ogy s PHE 88 N -0.71 1.48 0.06 -0.32 0.40 -1.26 -3.22 117.98 114.42 1ogy s PHE 88 Ca 0.00 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.76 1ogy s PHE 88 Cb 0.00 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1ogy s PHE 88 CO 0.00 -0.36 -0.14 0.00 0.70 0.00 0.00 175.22 175.42 1ogy s ALA 89 N 1.02 1.13 0.79 5.36 0.00 0.13 -4.89 121.76 125.31 1ogy s ALA 89 Ca -0.08 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1ogy s ALA 89 Cb -0.15 -0.10 0.08 0.00 0.00 0.00 0.00 23.12 22.95 1ogy s ALA 89 CO -0.01 0.16 1.21 -2.14 0.00 0.00 0.00 175.76 174.98 1ogy s PRO 90 N -1.62 1.72 -0.26 0.00 0.02 -1.26 -1.54 135.00 132.05 1ogy s PRO 90 Ca -0.02 1.75 -0.26 0.00 0.02 0.00 0.00 61.00 62.50 1ogy s PRO 90 Cb -0.10 -1.79 0.13 0.00 0.02 0.00 0.00 34.50 32.77 1ogy s PRO 90 CO 0.02 -2.15 1.09 0.54 -0.33 0.00 0.00 177.00 176.17 1ogy s VAL 91 N -2.12 0.00 0.91 3.83 0.11 -1.00 -4.77 120.40 117.37 1ogy s VAL 91 Ca 0.73 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.68 1ogy s VAL 91 Cb -0.29 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.71 1ogy s VAL 91 CO 0.50 0.00 1.13 -0.55 -3.33 0.00 0.00 175.10 172.85 1ogy s SER 92 N -0.05 2.98 0.08 3.54 0.15 -1.26 -3.85 113.70 115.29 1ogy s SER 92 Ca 0.03 2.09 -0.27 0.00 0.70 0.00 0.00 55.95 58.50 1ogy s SER 92 Cb -0.04 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.56 1ogy s SER 92 CO -0.06 -3.05 1.67 -0.50 1.20 0.00 0.00 173.24 172.50 1ogy h TRP 93 N -1.83 -0.36 -0.32 3.44 4.06 -1.98 0.21 115.95 119.18 1ogy h TRP 93 Ca -0.44 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 60.57 1ogy h TRP 93 Cb 1.27 0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 29.47 1ogy h TRP 93 CO 0.50 -0.21 -0.27 -0.44 -3.56 0.00 0.00 178.44 174.46 1ogy h ASP 94 N -0.41 -0.88 -0.08 -3.49 3.32 -1.99 0.31 116.42 113.21 1ogy h ASP 94 Ca -0.04 0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1ogy h ASP 94 Cb 0.31 0.42 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1ogy h ASP 94 CO 0.06 -0.29 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.76 1ogy h GLU 95 N -0.24 -0.27 -0.66 3.56 5.08 -1.85 0.24 114.58 120.43 1ogy h GLU 95 Ca 0.16 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.67 1ogy h GLU 95 Cb 0.49 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 1ogy h GLU 95 CO -0.46 -0.18 0.17 0.00 -1.00 0.00 0.00 179.01 177.55 1ogy h ALA 96 N 0.67 0.84 -0.14 3.43 0.00 0.91 -0.49 119.26 124.47 1ogy h ALA 96 Ca 0.08 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1ogy h ALA 96 Cb 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ogy h ALA 96 CO -0.24 -0.29 -0.57 0.74 0.00 0.00 0.00 179.25 178.89 1ogy h PHE 97 N 0.30 0.57 -0.25 0.00 0.04 0.27 -1.63 116.94 116.24 1ogy h PHE 97 Ca 0.36 -0.21 0.05 0.00 2.80 0.00 0.00 57.97 60.97 1ogy h PHE 97 Cb 0.55 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1ogy h PHE 97 CO -0.24 0.91 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.90 1ogy h ASP 98 N 0.34 -0.20 -0.26 2.17 3.45 0.11 0.42 116.42 122.45 1ogy h ASP 98 Ca 0.00 0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.44 1ogy h ASP 98 Cb 1.10 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1ogy h ASP 98 CO 0.10 -0.07 -0.18 0.58 -1.57 0.00 0.00 179.24 178.10 1ogy h VAL 99 N 0.02 1.31 0.00 -1.35 2.07 -1.32 -2.38 116.25 114.60 1ogy h VAL 99 Ca 0.12 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1ogy h VAL 99 Cb 0.18 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1ogy h VAL 99 CO -0.24 0.41 -0.19 -0.03 0.02 0.00 0.00 177.57 177.54 1ogy h MET 100 N 0.30 0.00 0.23 1.57 -1.53 -1.01 -2.36 114.93 112.12 1ogy h MET 100 Ca 0.05 0.00 -0.34 0.00 -3.44 0.00 0.00 59.70 55.97 1ogy h MET 100 Cb 0.71 0.00 0.03 0.00 -0.55 0.00 0.00 31.60 31.79 1ogy h MET 100 CO 0.05 0.19 -1.58 0.00 0.14 0.00 0.00 176.91 175.71 1ogy h ALA 101 N 1.81 -0.03 -0.14 0.39 0.00 -0.06 -3.11 119.26 118.12 1ogy h ALA 101 Ca -0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 54.91 53.94 1ogy h ALA 101 Cb 0.51 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ogy h ALA 101 CO 0.02 0.81 0.08 0.00 0.00 0.00 0.00 179.25 180.17 1ogy h ALA 102 N 0.13 0.18 -0.75 0.00 0.00 -1.23 -0.46 119.26 117.14 1ogy h ALA 102 Ca -0.29 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1ogy h ALA 102 Cb 2.13 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1ogy h ALA 102 CO 0.23 -0.30 0.41 1.96 0.00 0.00 0.00 179.25 181.56 1ogy h GLN 103 N 0.15 0.70 0.48 0.00 1.08 -1.54 -2.02 115.11 113.96 1ogy h GLN 103 Ca 0.05 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1ogy h GLN 103 Cb 0.04 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1ogy h GLN 103 CO -0.01 0.46 -0.26 0.00 -0.95 0.00 0.00 178.83 178.08 1ogy h ALA 104 N 1.41 -1.15 -0.96 3.87 0.00 -1.30 -2.66 119.26 118.47 1ogy h ALA 104 Ca 0.35 -0.15 0.30 0.00 0.00 0.00 0.00 54.91 55.42 1ogy h ALA 104 Cb 0.30 0.32 -0.17 0.00 0.00 0.00 0.00 17.79 18.24 1ogy h ALA 104 CO -0.23 -1.11 0.25 0.87 0.00 0.00 0.00 179.25 179.04 1ogy h LYS 105 N -0.68 0.09 0.17 0.00 1.57 -0.88 0.13 116.57 116.97 1ogy h LYS 105 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1ogy h LYS 105 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ogy h LYS 105 CO 0.09 0.06 -0.10 1.25 -0.57 0.00 0.00 179.45 180.18 1ogy h LEU 106 N 0.09 -0.24 -1.14 2.94 5.85 -1.26 -2.88 115.31 118.67 1ogy h LEU 106 Ca 0.66 0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.71 1ogy h LEU 106 Cb 1.48 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.44 1ogy h LEU 106 CO -0.78 -0.15 0.64 0.58 -0.34 0.00 0.00 178.44 178.39 1ogy h VAL 107 N -0.25 0.34 0.00 1.05 2.07 -1.00 1.01 116.25 119.47 1ogy h VAL 107 Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ogy h VAL 107 Cb 0.19 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1ogy h VAL 107 CO 0.03 0.06 0.00 -0.11 0.02 0.00 0.00 177.57 177.57 1ogy n LEU 108 N -4.89 0.76 0.00 2.57 7.94 0.38 -1.15 117.00 122.62 1ogy n LEU 108 Ca 0.31 -0.38 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1ogy n LEU 108 Cb 1.01 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1ogy n LEU 108 CO 0.15 0.19 0.00 0.29 -1.11 0.00 0.00 177.39 176.91 1ogy n LYS 109 N 0.12 4.13 -0.08 1.96 4.76 0.34 -4.49 118.16 124.91 1ogy n LYS 109 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1ogy n LYS 109 Cb 0.19 -0.34 -0.14 0.00 -1.84 0.00 0.00 35.03 32.90 1ogy n LYS 109 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ogy n GLU 110 N 0.00 0.68 0.00 1.97 1.02 -0.88 -4.68 120.64 118.74 1ogy n GLU 110 Ca 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1ogy n GLU 110 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1ogy n GLU 110 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ogy n LYS 111 N -3.09 3.16 0.00 3.49 5.02 -0.97 -5.11 118.16 120.67 1ogy n LYS 111 Ca -0.34 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1ogy n LYS 111 Cb 1.07 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 1ogy n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ogy n ALA 112 N -0.43 0.00 -0.34 7.82 0.00 -0.30 -4.38 120.51 122.88 1ogy n ALA 112 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ogy n ALA 112 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1ogy n ALA 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ogy h PRO 113 N 0.00 0.01 -0.10 0.00 0.11 -1.85 0.35 132.00 130.53 1ogy h PRO 113 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ogy h PRO 113 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ogy h PRO 113 CO 0.00 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.19 1ogy n GLU 114 N -5.51 0.22 0.00 1.05 1.02 -1.26 -1.32 120.64 114.83 1ogy n GLU 114 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1ogy n GLU 114 Cb 0.69 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 1ogy n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ogy n ALA 115 N -0.11 1.64 -2.70 0.62 0.00 0.11 -4.60 120.51 115.47 1ogy n ALA 115 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ogy n ALA 115 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1ogy n ALA 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ogy s VAL 116 N -1.13 5.24 -0.14 0.00 -7.23 -0.44 0.58 120.40 117.28 1ogy s VAL 116 Ca 0.00 0.24 -0.16 0.00 -1.81 0.00 0.00 61.98 60.25 1ogy s VAL 116 Cb 0.00 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.39 1ogy s VAL 116 CO 0.00 0.33 0.43 -0.83 -0.31 0.00 0.00 175.10 174.72 1ogy s GLY 117 N -1.75 -0.31 0.11 2.32 0.00 -0.48 -4.66 107.32 102.55 1ogy s GLY 117 Ca 0.30 1.12 0.10 0.00 0.00 0.00 0.00 44.72 46.23 1ogy s GLY 117 CO 0.17 0.94 -0.22 1.06 0.00 0.00 0.00 173.10 175.05 1ogy s MET 118 N -0.02 1.65 -0.35 2.90 -1.94 -0.58 -1.15 119.30 119.82 1ogy s MET 118 Ca -0.02 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 1ogy s MET 118 Cb -0.03 -2.03 0.11 0.00 2.01 0.00 0.00 34.83 34.90 1ogy s MET 118 CO 0.01 0.47 0.15 0.12 -0.01 0.00 0.00 175.02 175.76 1ogy s PHE 119 N -1.08 1.77 0.00 -0.03 5.36 -0.39 -1.79 117.98 121.82 1ogy s PHE 119 Ca 0.16 -1.96 0.00 0.00 -0.96 0.00 0.00 56.93 54.16 1ogy s PHE 119 Cb -0.10 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1ogy s PHE 119 CO 0.08 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.40 1ogy n GLY 120 N 4.39 0.58 3.32 13.12 0.00 -0.33 -1.35 105.19 124.92 1ogy n GLY 120 Ca 0.02 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1ogy n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ogy s SER 121 N -1.00 -0.26 0.00 1.61 1.04 -1.25 -1.21 113.70 112.64 1ogy s SER 121 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1ogy s SER 121 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ogy s SER 121 CO 0.00 -0.84 0.59 0.61 0.98 0.00 0.00 173.24 174.58 1ogy n GLY 122 N -0.14 0.25 0.29 7.32 0.00 -1.26 -1.36 105.19 110.28 1ogy n GLY 122 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1ogy n GLY 122 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ogy n GLN 123 N -0.18 1.05 -2.35 1.61 6.02 -1.26 0.35 117.38 122.61 1ogy n GLN 123 Ca 0.00 -0.83 -0.33 0.00 -0.01 0.00 0.00 57.00 55.83 1ogy n GLN 123 Cb 0.10 -1.11 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 1ogy n GLN 123 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ogy s TRP 124 N -0.94 3.11 0.63 1.08 0.51 -0.47 -4.96 118.94 117.90 1ogy s TRP 124 Ca 0.09 1.53 -0.13 0.00 -2.12 0.00 0.00 56.10 55.48 1ogy s TRP 124 Cb 0.07 -2.97 -0.02 0.00 -0.81 0.00 0.00 33.47 29.73 1ogy s TRP 124 CO 0.15 -0.79 1.04 0.99 -0.51 0.00 0.00 176.95 177.84 1ogy s THR 125 N -2.30 4.16 0.20 2.01 2.01 -1.26 -4.78 115.64 115.68 1ogy s THR 125 Ca 0.64 0.82 -0.13 0.00 0.31 0.00 0.00 61.69 63.33 1ogy s THR 125 Cb -0.14 -3.52 0.18 0.00 0.01 0.00 0.00 72.50 69.03 1ogy s THR 125 CO 0.28 -0.80 1.66 0.40 -0.69 0.00 0.00 174.62 175.47 1ogy h ILE 126 N -0.15 0.50 0.00 1.82 2.04 -1.68 0.32 117.51 120.37 1ogy h ILE 126 Ca -0.45 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1ogy h ILE 126 Cb 1.21 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ogy h ILE 126 CO 0.58 0.01 0.00 -2.67 0.00 0.00 0.00 178.15 176.08 1ogy n TRP 127 N -5.30 0.00 0.08 1.37 2.14 -1.26 -2.30 117.44 112.16 1ogy n TRP 127 Ca 0.07 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.47 1ogy n TRP 127 Cb 0.32 -0.44 -0.14 0.00 -0.81 0.00 0.00 31.31 30.24 1ogy n TRP 127 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 1ogy h GLU 128 N 0.00 0.27 0.00 -2.67 5.08 -0.74 -2.00 114.58 114.52 1ogy h GLU 128 Ca 0.00 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1ogy h GLU 128 Cb 0.36 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ogy h GLU 128 CO 0.00 1.16 -0.19 0.78 -1.00 0.00 0.00 179.01 179.75 1ogy h GLY 129 N 1.59 0.00 0.12 -3.84 0.00 -1.24 -1.31 103.07 98.40 1ogy h GLY 129 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1ogy h GLY 129 CO 0.18 0.00 -0.06 -1.82 0.00 0.00 0.00 176.54 174.84 1ogy h TYR 130 N 0.00 0.05 -0.33 5.60 -0.00 -1.49 -1.43 116.97 119.36 1ogy h TYR 130 Ca -0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 58.73 58.73 1ogy h TYR 130 Cb 1.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.75 1ogy h TYR 130 CO 0.00 0.96 0.22 0.00 -0.00 0.00 0.00 178.16 179.34 1ogy h ALA 131 N 0.08 1.90 0.10 1.82 0.00 -1.34 -0.72 119.26 121.09 1ogy h ALA 131 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ogy h ALA 131 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ogy h ALA 131 CO 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.27 1ogy h ALA 132 N 1.81 -0.13 -0.39 0.00 0.00 -1.23 -1.41 119.26 117.90 1ogy h ALA 132 Ca 0.14 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ogy h ALA 132 Cb 0.13 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1ogy h ALA 132 CO -0.03 -0.33 -0.06 1.03 0.00 0.00 0.00 179.25 179.86 1ogy h SER 133 N -0.63 -0.28 0.14 0.00 0.87 -0.61 0.75 113.55 113.80 1ogy h SER 133 Ca -0.01 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1ogy h SER 133 Cb 0.50 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1ogy h SER 133 CO 0.02 -0.10 -0.26 0.50 -0.53 0.00 0.00 176.83 176.47 1ogy h LYS 134 N 0.04 -0.46 -0.84 2.24 3.64 -1.19 -1.10 116.57 118.91 1ogy h LYS 134 Ca 0.19 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1ogy h LYS 134 Cb 0.29 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1ogy h LYS 134 CO -0.37 -0.31 0.54 1.25 -2.27 0.00 0.00 179.45 178.29 1ogy h LEU 135 N -0.48 0.91 -0.41 5.20 5.85 -0.53 0.16 115.31 126.00 1ogy h LEU 135 Ca 0.02 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 1ogy h LEU 135 Cb 0.50 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1ogy h LEU 135 CO -0.13 0.64 -0.61 0.24 -0.34 0.00 0.00 178.44 178.24 1ogy h MET 136 N 1.07 0.63 0.00 1.25 2.86 -0.73 -1.02 114.93 118.99 1ogy h MET 136 Ca 0.33 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ogy h MET 136 Cb -0.03 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1ogy h MET 136 CO -0.10 1.05 -0.66 0.54 1.06 0.00 0.00 176.91 178.80 1ogy n ARG 137 N -3.95 0.41 0.22 1.72 1.74 -0.43 -0.05 116.66 116.34 1ogy n ARG 137 Ca -0.04 0.30 0.06 0.00 -0.77 0.00 0.00 57.85 57.40 1ogy n ARG 137 Cb 0.64 -1.38 0.52 0.00 -1.02 0.00 0.00 32.46 31.23 1ogy n ARG 137 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ogy h ALA 138 N -1.17 1.59 -3.00 7.54 0.00 -0.88 -1.01 119.26 122.32 1ogy h ALA 138 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ogy h ALA 138 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ogy h ALA 138 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1ogy n GLY 139 N -0.88 1.26 0.00 0.00 0.00 -0.85 -4.49 105.19 100.22 1ogy n GLY 139 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1ogy n GLY 139 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ogy n PHE 140 N -0.16 0.00 -3.74 1.61 0.99 -0.40 -4.77 117.46 110.99 1ogy n PHE 140 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 1ogy n PHE 140 Cb 0.00 -0.08 0.03 0.00 -1.00 0.00 0.00 39.48 38.44 1ogy n PHE 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ogy n ARG 141 N -1.08 -5.19 -4.22 -1.08 1.74 -0.38 -4.65 116.66 101.81 1ogy n ARG 141 Ca 0.10 0.63 -0.20 0.00 -0.77 0.00 0.00 57.85 57.61 1ogy n ARG 141 Cb 0.07 -5.29 -0.16 0.00 -1.02 0.00 0.00 32.46 26.06 1ogy n ARG 141 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ogy s SER 142 N -4.09 0.97 -0.35 0.55 0.15 0.93 -4.73 113.70 107.13 1ogy s SER 142 Ca 0.17 -0.14 0.07 0.00 0.70 0.00 0.00 55.95 56.75 1ogy s SER 142 Cb -0.08 -0.43 0.69 0.00 -1.71 0.00 0.00 66.02 64.48 1ogy s SER 142 CO 0.81 -0.03 1.80 0.59 1.20 0.00 0.00 173.24 177.61 1ogy n ASN 143 N 3.86 4.39 -1.88 5.45 3.02 -1.26 -3.59 115.26 125.25 1ogy n ASN 143 Ca -0.24 -3.27 -0.16 0.00 -0.03 0.00 0.00 54.58 50.88 1ogy n ASN 143 Cb 0.52 -0.77 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1ogy n ASN 143 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ogy n ASN 144 N -0.43 6.41 -4.35 6.41 5.03 -1.26 -3.00 115.26 124.07 1ogy n ASN 144 Ca 0.45 -3.03 -0.38 0.00 0.87 0.00 0.00 54.58 52.50 1ogy n ASN 144 Cb 1.44 -1.07 -0.12 0.00 -1.02 0.00 0.00 39.78 39.01 1ogy n ASN 144 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ogy s LEU 145 N -1.71 4.01 0.08 3.41 2.96 -1.26 -1.53 118.68 124.64 1ogy s LEU 145 Ca 0.29 -0.77 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1ogy s LEU 145 Cb 0.23 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1ogy s LEU 145 CO -0.01 -0.23 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.07 1ogy s ASP 146 N 1.50 1.36 0.49 3.68 3.68 -0.74 0.23 116.67 126.87 1ogy s ASP 146 Ca 0.02 -0.70 0.07 0.00 2.13 0.00 0.00 52.55 54.07 1ogy s ASP 146 Cb -0.18 0.00 0.02 0.00 -1.45 0.00 0.00 42.92 41.31 1ogy s ASP 146 CO 0.03 -0.20 0.47 -2.16 0.13 0.00 0.00 175.17 173.43 1ogy s PRO 147 N -2.25 2.41 0.21 4.34 0.04 -1.09 -1.19 135.00 137.47 1ogy s PRO 147 Ca -0.00 -1.71 0.24 0.00 0.04 0.00 0.00 61.00 59.57 1ogy s PRO 147 Cb -0.06 -2.34 0.91 0.00 0.04 0.00 0.00 34.50 33.05 1ogy s PRO 147 CO 0.01 -0.46 1.72 0.27 0.04 0.00 0.00 177.00 178.58 1ogy n ASN 148 N -1.75 0.62 0.15 6.66 6.94 -0.35 -2.29 115.26 125.25 1ogy n ASN 148 Ca 0.04 0.62 0.12 0.00 -0.02 0.00 0.00 54.58 55.34 1ogy n ASN 148 Cb 0.62 -0.76 0.54 0.00 -2.36 0.00 0.00 39.78 37.82 1ogy n ASN 148 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ogy n ALA 149 N -1.74 1.43 0.13 -2.53 0.00 -1.26 -1.46 120.51 115.08 1ogy n ALA 149 Ca 0.04 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1ogy n ALA 149 Cb 0.29 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 18.77 1ogy n ALA 149 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ogy h ARG 150 N 0.00 0.20 0.00 0.00 9.65 -1.86 0.34 114.38 122.70 1ogy h ARG 150 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1ogy h ARG 150 Cb 0.23 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1ogy h ARG 150 CO 0.00 0.36 -0.04 0.45 2.80 0.00 0.00 179.97 183.54 1ogy h HIS 151 N 0.19 0.00 0.00 2.20 3.86 -1.49 -3.38 115.15 116.54 1ogy h HIS 151 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ogy h HIS 151 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1ogy h HIS 151 CO 0.01 0.00 -0.37 0.00 0.86 0.00 0.00 177.93 178.42 1ogy n MET 153 N -3.34 1.61 -0.09 0.00 2.81 0.98 -4.68 117.12 114.40 1ogy n MET 153 Ca -0.05 -0.97 -0.08 0.00 -1.81 0.00 0.00 57.70 54.79 1ogy n MET 153 Cb 0.19 -1.28 -0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1ogy n MET 153 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ogy h ALA 154 N 2.88 -0.15 -0.30 3.04 0.00 -1.71 0.41 119.26 123.43 1ogy h ALA 154 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ogy h ALA 154 Cb 0.58 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1ogy h ALA 154 CO 0.00 -0.70 -0.23 0.77 0.00 0.00 0.00 179.25 179.10 1ogy h SER 155 N -0.25 -0.75 -0.24 0.00 0.02 -1.83 0.25 113.55 110.75 1ogy h SER 155 Ca 0.16 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1ogy h SER 155 Cb 0.51 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1ogy h SER 155 CO -0.48 -0.26 0.11 0.00 -1.14 0.00 0.00 176.83 175.06 1ogy h ALA 156 N 0.92 0.28 -0.52 3.77 0.00 -1.65 -1.23 119.26 120.83 1ogy h ALA 156 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ogy h ALA 156 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ogy h ALA 156 CO -0.42 -0.30 0.28 0.00 0.00 0.00 0.00 179.25 178.81 1ogy h ALA 157 N 1.13 0.66 0.01 0.00 0.00 -0.64 -1.05 119.26 119.37 1ogy h ALA 157 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ogy h ALA 157 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ogy h ALA 157 CO -0.08 0.19 -0.11 1.15 0.00 0.00 0.00 179.25 180.41 1ogy h THR 158 N 0.69 0.74 -0.26 0.00 2.02 -0.14 -2.13 112.91 113.83 1ogy h THR 158 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1ogy h THR 158 Cb 0.05 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1ogy h THR 158 CO -0.03 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.92 1ogy h ALA 159 N 0.78 1.63 0.09 6.16 0.00 -1.08 -2.31 119.26 124.54 1ogy h ALA 159 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ogy h ALA 159 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ogy h ALA 159 CO -0.10 0.28 -0.28 0.74 0.00 0.00 0.00 179.25 179.89 1ogy h PHE 160 N 0.36 -0.75 0.51 0.00 0.05 -0.55 0.38 116.94 116.95 1ogy h PHE 160 Ca 0.09 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.88 1ogy h PHE 160 Cb 0.14 0.32 -0.00 0.00 2.00 0.00 0.00 35.95 38.41 1ogy h PHE 160 CO 0.00 -0.38 -0.30 0.52 -0.18 0.00 0.00 178.31 177.97 1ogy h MET 161 N -0.48 -0.74 -0.12 1.51 2.86 -1.19 0.86 114.93 117.62 1ogy h MET 161 Ca 0.04 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1ogy h MET 161 Cb 0.52 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 1ogy h MET 161 CO -0.18 -0.49 -0.24 0.00 1.06 0.00 0.00 176.91 177.06 1ogy h ARG 162 N -0.77 -0.30 0.11 1.72 3.08 -1.19 1.55 114.38 118.59 1ogy h ARG 162 Ca -0.06 0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.74 1ogy h ARG 162 Cb 0.62 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1ogy h ARG 162 CO 0.07 -0.20 -1.20 1.79 -1.07 0.00 0.00 179.97 179.36 1ogy h THR 163 N -0.31 1.49 0.00 2.04 1.35 -0.14 -3.39 112.91 113.94 1ogy h THR 163 Ca 0.10 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1ogy h THR 163 Cb 0.45 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1ogy h THR 163 CO -0.30 0.87 -0.28 0.49 -0.25 0.00 0.00 175.52 176.06 1ogy n PHE 164 N -3.56 0.00 -0.98 4.73 3.01 0.29 -2.05 117.46 118.90 1ogy n PHE 164 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1ogy n PHE 164 Cb 1.00 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.47 1ogy n PHE 164 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ogy n GLY 165 N 1.15 0.34 3.49 1.37 0.00 0.53 -3.38 105.19 108.68 1ogy n GLY 165 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1ogy n GLY 165 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ogy s MET 166 N -0.73 0.74 0.85 1.61 -2.45 -1.25 -4.60 119.30 113.46 1ogy s MET 166 Ca 0.00 0.70 -0.13 0.00 -1.25 0.00 0.00 55.69 55.01 1ogy s MET 166 Cb 0.00 0.36 0.11 0.00 1.25 0.00 0.00 34.83 36.55 1ogy s MET 166 CO 0.00 -0.12 1.22 0.34 1.05 0.00 0.00 175.02 177.51 1ogy s ASP 167 N 0.04 4.14 0.52 1.11 2.15 -1.26 -4.25 116.67 119.11 1ogy s ASP 167 Ca -0.02 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.60 1ogy s ASP 167 Cb -0.04 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.57 1ogy s ASP 167 CO 0.02 -2.12 0.00 -0.62 -0.17 0.00 0.00 175.17 172.28 1ogy n GLU 168 N -3.43 -3.37 -0.68 4.34 -0.58 -1.26 -4.96 120.64 110.69 1ogy n GLU 168 Ca 0.10 2.65 -0.31 0.00 -0.42 0.00 0.00 57.16 59.18 1ogy n GLU 168 Cb 0.61 -3.42 0.17 0.00 -0.57 0.00 0.00 31.44 28.22 1ogy n GLU 168 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1ogy n PRO 169 N -2.87 -0.75 0.00 3.49 -0.02 -1.26 -4.97 135.00 128.62 1ogy n PRO 169 Ca -0.02 -0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.37 1ogy n PRO 169 Cb 0.46 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 1ogy n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogy n MET 170 N -3.51 1.34 -0.63 -0.52 0.00 -1.26 -4.83 117.12 107.71 1ogy n MET 170 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ogy n MET 170 Cb 0.53 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.44 1ogy n MET 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ogy n GLY 171 N 1.39 2.89 3.77 3.17 0.00 -1.26 -0.68 105.19 114.47 1ogy n GLY 171 Ca 0.04 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 1ogy n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy h TYR 173 N 2.00 0.00 0.00 0.00 0.99 -1.95 0.74 116.97 118.75 1ogy h TYR 173 Ca -0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.51 1ogy h TYR 173 Cb 1.25 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.98 1ogy h TYR 173 CO 0.39 0.00 0.25 -0.44 -0.00 0.00 0.00 178.16 178.36 1ogy h ASP 174 N 0.00 0.00 0.41 3.88 5.19 -1.98 -0.24 116.42 123.67 1ogy h ASP 174 Ca 0.13 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.41 1ogy h ASP 174 Cb 0.89 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 1ogy h ASP 174 CO -0.00 0.00 -0.54 0.44 -3.12 0.00 0.00 179.24 176.01 1ogy h ASP 175 N 0.00 0.16 -0.91 6.45 3.32 -1.23 -3.14 116.42 121.07 1ogy h ASP 175 Ca 0.00 -0.09 0.22 0.00 0.02 0.00 0.00 57.03 57.18 1ogy h ASP 175 Cb 0.50 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1ogy h ASP 175 CO 0.00 0.68 0.61 -0.26 -1.72 0.00 0.00 179.24 178.55 1ogy h PHE 176 N 0.12 0.46 0.00 4.55 -1.00 -1.25 0.21 116.94 120.03 1ogy h PHE 176 Ca -0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1ogy h PHE 176 Cb 1.00 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.42 1ogy h PHE 176 CO 0.01 0.11 -0.78 0.93 -1.61 0.00 0.00 178.31 176.98 1ogy h GLU 177 N 0.34 0.00 0.00 1.51 3.07 -1.72 -3.37 114.58 114.41 1ogy h GLU 177 Ca 0.47 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.07 1ogy h GLU 177 Cb 1.28 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 1ogy h GLU 177 CO -0.16 0.00 -2.08 0.00 -1.40 0.00 0.00 179.01 175.38 1ogy n ALA 178 N -2.10 1.82 -0.93 3.43 0.00 0.00 -5.02 120.51 117.72 1ogy n ALA 178 Ca 0.01 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.13 1ogy n ALA 178 Cb 0.52 -0.49 0.10 0.00 0.00 0.00 0.00 19.45 19.58 1ogy n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy n ALA 179 N -2.58 -2.42 0.29 0.00 0.00 0.53 -4.56 120.51 111.78 1ogy n ALA 179 Ca -0.22 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 52.75 1ogy n ALA 179 Cb 0.98 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1ogy n ALA 179 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ogy n ASP 180 N -0.86 1.20 0.00 0.00 8.00 -0.46 -4.94 116.55 119.49 1ogy n ASP 180 Ca 0.07 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1ogy n ASP 180 Cb 0.53 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.77 1ogy n ASP 180 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogy n ALA 181 N -1.41 0.00 -2.83 2.24 0.00 -1.01 -3.04 120.51 114.46 1ogy n ALA 181 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ogy n ALA 181 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 1ogy n ALA 181 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ogy s PHE 182 N -0.81 3.22 -0.20 0.00 0.40 -0.21 -1.88 117.98 118.51 1ogy s PHE 182 Ca 0.00 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1ogy s PHE 182 Cb 0.00 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.51 1ogy s PHE 182 CO 0.00 0.18 -0.13 0.08 0.70 0.00 0.00 175.22 176.05 1ogy s VAL 183 N 0.19 2.62 -0.58 -0.44 1.01 -1.00 0.12 120.40 122.32 1ogy s VAL 183 Ca 0.03 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1ogy s VAL 183 Cb -0.12 -2.16 0.15 0.00 0.00 0.00 0.00 36.38 34.24 1ogy s VAL 183 CO 0.01 0.47 0.52 -0.76 0.00 0.00 0.00 175.10 175.34 1ogy s LEU 184 N 1.37 6.19 -1.28 3.92 1.02 0.06 -0.61 118.68 129.35 1ogy s LEU 184 Ca 0.05 -2.01 -0.18 0.00 0.02 0.00 0.00 54.13 52.02 1ogy s LEU 184 Cb -0.14 -2.17 0.01 0.00 0.02 0.00 0.00 46.19 43.92 1ogy s LEU 184 CO -0.09 -0.77 1.98 0.79 0.02 0.00 0.00 176.35 178.29 1ogy n TRP 185 N 4.91 3.62 -1.04 0.29 7.02 0.59 -1.57 117.44 131.25 1ogy n TRP 185 Ca -0.07 -2.59 -0.01 0.00 -1.02 0.00 0.00 57.50 53.80 1ogy n TRP 185 Cb 0.41 -2.48 -0.01 0.00 -2.42 0.00 0.00 31.31 26.82 1ogy n TRP 185 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ogy n GLY 186 N 4.82 0.51 3.92 6.99 0.00 0.03 -4.48 105.19 116.98 1ogy n GLY 186 Ca 0.50 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1ogy n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ogy s SER 187 N -2.76 5.65 -0.35 1.61 0.01 -1.25 -4.31 113.70 112.29 1ogy s SER 187 Ca 0.00 0.70 0.14 0.00 1.31 0.00 0.00 55.95 58.10 1ogy s SER 187 Cb 0.00 -1.73 0.40 0.00 0.21 0.00 0.00 66.02 64.90 1ogy s SER 187 CO 0.00 -1.01 0.85 -3.20 0.41 0.00 0.00 173.24 170.29 1ogy n ASN 188 N -2.53 1.32 -0.34 2.44 4.05 -1.26 -4.94 115.26 114.01 1ogy n ASN 188 Ca 0.04 -2.91 0.18 0.00 0.45 0.00 0.00 54.58 52.34 1ogy n ASN 188 Cb 0.57 -0.57 0.40 0.00 1.23 0.00 0.00 39.78 41.42 1ogy n ASN 188 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 1ogy h MET 189 N 2.99 0.56 -1.27 1.20 2.86 -1.93 -0.64 114.93 118.69 1ogy h MET 189 Ca 0.01 -0.03 0.39 0.00 -2.06 0.00 0.00 59.70 58.01 1ogy h MET 189 Cb 1.05 -0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.48 1ogy h MET 189 CO 0.52 0.37 0.84 0.00 1.06 0.00 0.00 176.91 179.70 1ogy h ALA 190 N 1.67 2.71 0.00 6.32 0.00 -1.90 0.46 119.26 128.53 1ogy h ALA 190 Ca 0.61 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.54 1ogy h ALA 190 Cb 1.20 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ogy h ALA 190 CO -0.39 -1.24 -1.35 0.39 0.00 0.00 0.00 179.25 176.65 1ogy n GLU 191 N -4.57 1.28 -0.01 0.00 1.02 -0.58 -4.46 120.64 113.32 1ogy n GLU 191 Ca 0.33 -0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 1ogy n GLU 191 Cb 1.30 -1.16 -0.12 0.00 -0.02 0.00 0.00 31.44 31.44 1ogy n GLU 191 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ogy n MET 192 N -1.93 0.81 -3.08 3.49 2.81 -0.35 -4.22 117.12 114.65 1ogy n MET 192 Ca -0.05 -0.11 -0.16 0.00 -1.81 0.00 0.00 57.70 55.57 1ogy n MET 192 Cb 0.38 -1.36 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1ogy n MET 192 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1ogy n HIS 193 N -1.90 -0.61 -0.11 2.03 8.25 0.10 -4.84 115.22 118.14 1ogy n HIS 193 Ca -0.01 -3.38 -0.05 0.00 -0.26 0.00 0.00 57.72 54.01 1ogy n HIS 193 Cb 0.39 0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.60 1ogy n HIS 193 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ogy h PRO 194 N 3.07 -0.05 0.00 -0.41 0.11 -1.68 0.35 132.00 133.39 1ogy h PRO 194 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1ogy h PRO 194 Cb 1.00 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ogy h PRO 194 CO 0.41 -0.03 -0.03 0.82 -0.21 0.00 0.00 178.00 178.96 1ogy h ILE 195 N -0.05 0.10 0.22 4.15 1.08 -1.91 0.72 117.51 121.82 1ogy h ILE 195 Ca 0.19 -0.43 -0.33 0.00 -0.39 0.00 0.00 64.86 63.90 1ogy h ILE 195 Cb 0.33 1.38 0.03 0.00 -3.07 0.00 0.00 36.82 35.49 1ogy h ILE 195 CO -0.42 0.03 -1.47 -0.07 -0.69 0.00 0.00 178.15 175.53 1ogy h LEU 196 N 0.00 0.72 -1.32 1.44 3.38 -1.61 -1.90 115.31 116.03 1ogy h LEU 196 Ca -0.00 -0.81 -0.06 0.00 0.09 0.00 0.00 57.88 57.10 1ogy h LEU 196 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ogy h LEU 196 CO 0.00 1.64 -0.25 -0.25 0.09 0.00 0.00 178.44 179.68 1ogy h TRP 197 N 0.13 0.15 -0.39 1.13 -0.00 0.58 0.54 115.95 118.09 1ogy h TRP 197 Ca -0.24 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.48 1ogy h TRP 197 Cb 2.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 31.23 1ogy h TRP 197 CO 0.11 0.38 -0.33 1.03 -0.00 0.00 0.00 178.44 179.64 1ogy h SER 198 N 0.13 0.96 -0.23 2.65 0.87 0.42 0.81 113.55 119.17 1ogy h SER 198 Ca 0.02 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.07 1ogy h SER 198 Cb 0.51 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1ogy h SER 198 CO 0.04 1.21 -0.06 0.03 -0.53 0.00 0.00 176.83 177.51 1ogy h ARG 199 N 0.72 0.58 0.06 2.24 3.08 -0.38 -1.26 114.38 119.44 1ogy h ARG 199 Ca 0.07 -0.15 -0.27 0.00 0.07 0.00 0.00 59.98 59.70 1ogy h ARG 199 Cb 0.91 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.91 1ogy h ARG 199 CO 0.08 0.65 -1.12 1.25 -1.07 0.00 0.00 179.97 179.77 1ogy h LEU 200 N 0.55 0.71 -0.67 3.04 5.85 -0.75 -3.03 115.31 121.00 1ogy h LEU 200 Ca 0.11 -0.62 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 1ogy h LEU 200 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1ogy h LEU 200 CO 0.02 1.44 0.04 0.74 -0.34 0.00 0.00 178.44 180.34 1ogy h THR 201 N 0.25 1.26 -0.63 1.05 2.02 -0.71 -0.56 112.91 115.60 1ogy h THR 201 Ca -0.14 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1ogy h THR 201 Cb 1.78 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1ogy h THR 201 CO 0.20 0.41 0.42 -0.78 0.37 0.00 0.00 175.52 176.14 1ogy h ASP 202 N 0.99 0.72 -0.11 4.18 3.58 -1.23 -0.13 116.42 124.43 1ogy h ASP 202 Ca 0.18 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1ogy h ASP 202 Cb 0.51 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 1ogy h ASP 202 CO 0.02 0.52 0.04 -0.09 -2.88 0.00 0.00 179.24 176.86 1ogy h ARG 203 N 0.85 0.16 0.23 0.28 9.65 -1.38 -0.45 114.38 123.72 1ogy h ARG 203 Ca 0.23 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1ogy h ARG 203 Cb -0.10 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1ogy h ARG 203 CO -0.05 0.28 -0.11 -0.09 2.80 0.00 0.00 179.97 182.80 1ogy h ARG 204 N 0.00 -0.30 0.00 0.20 9.65 -0.77 -2.31 114.38 120.86 1ogy h ARG 204 Ca 0.03 0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 1ogy h ARG 204 Cb 0.19 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1ogy h ARG 204 CO -0.00 -0.13 -0.41 -0.07 2.80 0.00 0.00 179.97 182.15 1ogy h LEU 205 N -0.40 0.00 -0.01 3.80 4.07 -1.08 -3.22 115.31 118.47 1ogy h LEU 205 Ca -0.03 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.72 1ogy h LEU 205 Cb 0.31 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1ogy h LEU 205 CO 0.05 0.41 -1.01 0.28 -1.08 0.00 0.00 178.44 177.10 1ogy h SER 206 N 0.00 0.04 -3.48 -0.43 0.02 -1.04 -3.41 113.55 105.25 1ogy h SER 206 Ca -0.00 -0.04 -0.62 0.00 -0.84 0.00 0.00 61.79 60.29 1ogy h SER 206 Cb 0.83 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 62.96 1ogy h SER 206 CO 0.05 1.02 -0.73 -1.00 -1.14 0.00 0.00 176.83 175.03 1ogy s HIS 207 N -2.73 2.74 -1.67 3.45 3.76 -0.87 -5.00 115.29 114.97 1ogy s HIS 207 Ca 0.01 -2.43 0.06 0.00 -0.15 0.00 0.00 55.06 52.54 1ogy s HIS 207 Cb 0.10 -2.33 0.30 0.00 1.11 0.00 0.00 32.58 31.76 1ogy s HIS 207 CO 0.82 -0.90 0.93 0.39 -0.85 0.00 0.00 174.74 175.13 1ogy n GLU 208 N 4.40 0.12 0.20 1.40 -0.58 -1.26 -1.58 120.64 123.34 1ogy n GLU 208 Ca 0.02 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1ogy n GLU 208 Cb 0.41 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.92 1ogy n GLU 208 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 1ogy h HIS 209 N 0.00 0.00 -3.91 -0.32 2.07 -1.94 -3.46 115.15 107.59 1ogy h HIS 209 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1ogy h HIS 209 Cb 0.03 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.07 1ogy h HIS 209 CO 0.00 0.01 0.56 0.08 -3.07 0.00 0.00 177.93 175.51 1ogy s VAL 210 N -3.23 2.97 -0.06 6.12 1.01 -0.62 -4.99 120.40 121.60 1ogy s VAL 210 Ca 0.06 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.95 1ogy s VAL 210 Cb 0.06 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1ogy s VAL 210 CO 0.69 0.14 -0.16 -0.13 0.00 0.00 0.00 175.10 175.64 1ogy s ARG 211 N -2.07 1.90 -0.12 2.72 1.81 -1.17 -4.97 118.95 117.04 1ogy s ARG 211 Ca 0.54 -0.58 -0.02 0.00 -1.72 0.00 0.00 55.73 53.95 1ogy s ARG 211 Cb -0.35 -1.59 -0.03 0.00 -0.45 0.00 0.00 34.95 32.54 1ogy s ARG 211 CO 0.44 0.17 -0.05 0.08 -0.68 0.00 0.00 175.30 175.27 1ogy s VAL 212 N 0.26 3.85 -0.10 3.52 1.01 -1.26 -1.04 120.40 126.63 1ogy s VAL 212 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1ogy s VAL 212 Cb -0.13 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1ogy s VAL 212 CO 0.03 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.56 1ogy s ALA 213 N -0.11 1.47 -0.10 5.51 0.00 0.12 -0.45 121.76 128.19 1ogy s ALA 213 Ca 0.02 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1ogy s ALA 213 Cb -0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1ogy s ALA 213 CO 0.03 -0.19 -0.20 0.08 0.00 0.00 0.00 175.76 175.48 1ogy s VAL 214 N 1.22 2.44 -0.06 0.00 1.01 -1.05 -0.76 120.40 123.19 1ogy s VAL 214 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1ogy s VAL 214 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1ogy s VAL 214 CO -0.04 0.55 -0.09 -0.76 0.00 0.00 0.00 175.10 174.76 1ogy s LEU 215 N 0.18 3.02 0.20 3.92 1.02 -0.61 -2.23 118.68 124.18 1ogy s LEU 215 Ca -0.12 -0.08 -0.18 0.00 0.02 0.00 0.00 54.13 53.77 1ogy s LEU 215 Cb -0.16 -1.64 0.03 0.00 0.02 0.00 0.00 46.19 44.43 1ogy s LEU 215 CO 0.06 0.35 0.53 -0.55 0.02 0.00 0.00 176.35 176.77 1ogy s SER 216 N -0.76 -0.27 0.12 2.29 0.15 -0.12 -0.79 113.70 114.33 1ogy s SER 216 Ca 0.12 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ogy s SER 216 Cb -0.11 0.58 -0.15 0.00 -1.71 0.00 0.00 66.02 64.63 1ogy s SER 216 CO 0.01 -1.06 1.27 0.74 1.20 0.00 0.00 173.24 175.40 1ogy h THR 217 N 2.19 1.51 -4.31 6.45 2.02 -1.87 -2.09 112.91 116.81 1ogy h THR 217 Ca -0.29 -2.87 -0.23 0.00 0.77 0.00 0.00 66.41 63.79 1ogy h THR 217 Cb 1.26 2.69 -0.15 0.00 -1.74 0.00 0.00 68.15 70.21 1ogy h THR 217 CO 0.37 0.84 -0.64 0.72 0.37 0.00 0.00 175.52 177.18 1ogy s PHE 218 N -2.94 1.06 -0.27 3.16 -0.71 -1.26 -4.69 117.98 112.33 1ogy s PHE 218 Ca -0.03 -1.24 -0.25 0.00 -1.04 0.00 0.00 56.93 54.37 1ogy s PHE 218 Cb 0.09 -0.58 -0.00 0.00 -1.21 0.00 0.00 43.02 41.32 1ogy s PHE 218 CO 0.85 -0.49 0.85 0.99 -1.34 0.00 0.00 175.22 176.09 1ogy s THR 219 N -3.99 4.78 0.31 -4.49 2.01 -0.98 -4.96 115.64 108.32 1ogy s THR 219 Ca 0.30 1.49 0.03 0.00 0.31 0.00 0.00 61.69 63.82 1ogy s THR 219 Cb 0.07 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 1ogy s THR 219 CO 0.06 -0.17 0.10 0.00 -0.69 0.00 0.00 174.62 173.91 1ogy n HIS 220 N 6.17 0.19 0.26 4.92 1.44 -1.26 -0.00 115.22 126.94 1ogy n HIS 220 Ca 0.06 -1.95 0.17 0.00 -2.01 0.00 0.00 57.72 53.99 1ogy n HIS 220 Cb 0.48 -0.03 0.79 0.00 0.12 0.00 0.00 29.99 31.35 1ogy n HIS 220 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ogy h ARG 221 N 0.00 0.00 0.17 -1.40 3.08 -1.97 -2.04 114.38 112.22 1ogy h ARG 221 Ca -0.25 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.49 1ogy h ARG 221 Cb 0.91 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.00 1ogy h ARG 221 CO 0.39 0.00 -1.33 0.77 -1.07 0.00 0.00 179.97 178.74 1ogy h SER 222 N 0.00 0.83 0.00 7.04 0.02 -1.91 -3.16 113.55 116.36 1ogy h SER 222 Ca 0.06 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1ogy h SER 222 Cb 0.79 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1ogy h SER 222 CO -0.00 1.62 0.00 -1.54 -1.14 0.00 0.00 176.83 175.77 1ogy n SER 223 N -3.74 2.19 0.01 3.07 3.41 -0.77 -2.48 113.62 115.31 1ogy n SER 223 Ca -0.14 -1.89 0.11 0.00 -0.26 0.00 0.00 58.87 56.69 1ogy n SER 223 Cb 1.03 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.61 1ogy n SER 223 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ogy n ASP 224 N 0.35 0.66 -0.48 4.04 8.00 -1.19 -3.84 116.55 124.09 1ogy n ASP 224 Ca 0.00 -0.44 0.06 0.00 0.71 0.00 0.00 54.79 55.12 1ogy n ASP 224 Cb 0.39 0.57 0.06 0.00 -0.02 0.00 0.00 41.12 42.12 1ogy n ASP 224 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ogy n LEU 225 N -1.61 2.10 -4.77 0.64 7.94 -1.03 -5.04 117.00 115.22 1ogy n LEU 225 Ca 0.04 -1.15 -0.38 0.00 -1.11 0.00 0.00 56.01 53.42 1ogy n LEU 225 Cb 0.36 -0.04 -0.06 0.00 0.53 0.00 0.00 43.42 44.21 1ogy n LEU 225 CO 0.38 0.42 0.65 -0.44 -1.11 0.00 0.00 177.39 177.30 1ogy s SER 226 N -0.95 7.38 -0.09 1.96 0.01 -1.25 -4.76 113.70 116.00 1ogy s SER 226 Ca 0.15 1.87 0.19 0.00 1.31 0.00 0.00 55.95 59.47 1ogy s SER 226 Cb 0.10 -2.59 -0.25 0.00 0.21 0.00 0.00 66.02 63.49 1ogy s SER 226 CO 0.14 -0.04 0.36 0.47 0.41 0.00 0.00 173.24 174.59 1ogy n ASP 227 N 0.72 0.19 -3.73 2.44 8.00 0.40 -4.62 116.55 119.96 1ogy n ASP 227 Ca 0.01 0.09 -0.29 0.00 0.71 0.00 0.00 54.79 55.31 1ogy n ASP 227 Cb 0.49 1.11 -0.12 0.00 -0.02 0.00 0.00 41.12 42.59 1ogy n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ogy s THR 228 N -2.90 1.77 -0.47 -3.53 2.01 -0.91 -5.02 115.64 106.59 1ogy s THR 228 Ca -0.08 -3.19 -0.25 0.00 0.31 0.00 0.00 61.69 58.48 1ogy s THR 228 Cb 0.09 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.43 1ogy s THR 228 CO 0.85 -0.99 0.90 -2.16 -0.69 0.00 0.00 174.62 172.53 1ogy s PRO 229 N -0.34 3.47 -0.15 4.92 0.04 -1.26 -2.55 135.00 139.14 1ogy s PRO 229 Ca 0.23 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.32 1ogy s PRO 229 Cb -0.13 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.47 1ogy s PRO 229 CO -0.09 -1.24 -0.17 0.42 0.04 0.00 0.00 177.00 175.96 1ogy s ILE 230 N 3.69 2.54 -0.27 0.56 1.01 -0.95 -5.03 121.20 122.75 1ogy s ILE 230 Ca 0.35 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1ogy s ILE 230 Cb -0.11 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.37 1ogy s ILE 230 CO 0.25 0.52 -0.08 -0.63 0.00 0.00 0.00 174.94 174.99 1ogy s ILE 231 N 0.78 2.25 0.55 2.92 1.01 -1.26 -0.95 121.20 126.50 1ogy s ILE 231 Ca -0.06 -1.69 0.09 0.00 0.00 0.00 0.00 60.65 58.98 1ogy s ILE 231 Cb -0.15 -2.36 0.09 0.00 0.01 0.00 0.00 42.46 40.04 1ogy s ILE 231 CO 0.00 -0.09 0.71 2.22 0.00 0.00 0.00 174.94 177.78 1ogy n PHE 232 N 4.43 -2.11 -3.20 3.97 1.16 -0.78 -4.58 117.46 116.35 1ogy n PHE 232 Ca -0.12 -2.04 -0.38 0.00 -1.87 0.00 0.00 57.45 53.04 1ogy n PHE 232 Cb 0.42 -0.51 -0.06 0.00 -1.61 0.00 0.00 39.48 37.72 1ogy n PHE 232 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1ogy s ARG 233 N -4.45 4.27 -0.22 3.97 3.52 -1.05 -4.56 118.95 120.44 1ogy s ARG 233 Ca 0.54 0.83 -0.40 0.00 -0.13 0.00 0.00 55.73 56.57 1ogy s ARG 233 Cb -0.04 -3.20 -0.16 0.00 -1.56 0.00 0.00 34.95 29.99 1ogy s ARG 233 CO 0.34 0.60 1.65 -2.30 -0.81 0.00 0.00 175.30 174.79 1ogy n PRO 234 N 1.56 1.06 0.00 5.12 -0.02 -1.26 -0.63 135.00 140.83 1ogy n PRO 234 Ca -0.08 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1ogy n PRO 234 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1ogy n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogy n GLY 235 N 3.84 2.62 0.04 -1.23 0.00 -1.26 -4.86 105.19 104.35 1ogy n GLY 235 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1ogy n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ogy n THR 236 N -2.00 0.02 0.14 2.61 -2.24 0.19 -3.59 114.28 109.41 1ogy n THR 236 Ca 0.00 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1ogy n THR 236 Cb 0.00 -0.23 0.50 0.00 -2.10 0.00 0.00 70.33 68.50 1ogy n THR 236 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ogy h ASP 237 N 0.16 0.19 -0.61 3.42 3.04 -1.90 -2.39 116.42 118.33 1ogy h ASP 237 Ca 0.00 -0.02 0.12 0.00 -3.24 0.00 0.00 57.03 53.90 1ogy h ASP 237 Cb 0.04 -0.05 -0.10 0.00 -1.04 0.00 0.00 39.33 38.18 1ogy h ASP 237 CO 0.00 0.22 0.06 0.03 -2.04 0.00 0.00 179.24 177.52 1ogy h ARG 238 N 0.22 0.18 0.01 4.15 3.08 -1.96 -0.84 114.38 119.21 1ogy h ARG 238 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ogy h ARG 238 Cb 0.12 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ogy h ARG 238 CO -0.00 0.12 -0.01 0.00 -1.07 0.00 0.00 179.97 179.01 1ogy h ALA 239 N 1.53 -0.02 -0.55 0.04 0.00 -1.71 -2.81 119.26 115.74 1ogy h ALA 239 Ca 0.32 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1ogy h ALA 239 Cb 0.51 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1ogy h ALA 239 CO -0.47 -0.39 0.15 0.82 0.00 0.00 0.00 179.25 179.36 1ogy h ILE 240 N -0.25 0.74 -0.81 0.00 2.04 -1.31 -0.68 117.51 117.24 1ogy h ILE 240 Ca -0.00 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.87 1ogy h ILE 240 Cb 0.25 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 1ogy h ILE 240 CO 0.00 0.06 0.43 -0.07 0.00 0.00 0.00 178.15 178.56 1ogy h LEU 241 N 0.31 0.56 -0.30 1.44 3.38 -1.03 -1.89 115.31 117.77 1ogy h LEU 241 Ca 0.28 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 1ogy h LEU 241 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ogy h LEU 241 CO -0.32 0.29 -0.24 0.78 0.09 0.00 0.00 178.44 179.04 1ogy h ASN 242 N 0.67 0.73 -0.46 -0.43 -0.26 -1.01 -2.65 115.58 112.17 1ogy h ASN 242 Ca 0.41 -0.45 0.09 0.00 -0.56 0.00 0.00 56.30 55.79 1ogy h ASN 242 Cb 0.48 -0.20 -0.09 0.00 -1.06 0.00 0.00 38.32 37.45 1ogy h ASN 242 CO -0.30 1.03 -0.14 0.22 -1.06 0.00 0.00 177.43 177.17 1ogy h TYR 243 N 0.44 -0.32 -0.93 1.19 3.20 -0.41 0.21 116.97 120.35 1ogy h TYR 243 Ca 0.06 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1ogy h TYR 243 Cb 0.80 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 1ogy h TYR 243 CO 0.07 -0.23 0.60 0.82 -1.64 0.00 0.00 178.16 177.79 1ogy h ILE 244 N -0.03 1.05 -0.04 1.81 2.04 -1.27 0.52 117.51 121.59 1ogy h ILE 244 Ca 0.22 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ogy h ILE 244 Cb 0.37 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1ogy h ILE 244 CO -0.49 0.19 0.02 0.00 0.00 0.00 0.00 178.15 177.86 1ogy h ALA 245 N 1.51 0.05 -0.54 1.87 0.00 -0.59 0.34 119.26 121.89 1ogy h ALA 245 Ca 0.41 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1ogy h ALA 245 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1ogy h ALA 245 CO -0.16 -0.38 0.21 1.25 0.00 0.00 0.00 179.25 180.17 1ogy h HIS 246 N -0.08 0.38 -0.53 0.00 -0.00 0.92 -1.08 115.15 114.75 1ogy h HIS 246 Ca 0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1ogy h HIS 246 Cb 0.14 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1ogy h HIS 246 CO -0.03 0.13 0.15 1.25 -0.00 0.00 0.00 177.93 179.44 1ogy h HIS 247 N 0.41 0.81 -0.38 5.26 6.17 0.38 0.41 115.15 128.19 1ogy h HIS 247 Ca 0.26 -0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.25 1ogy h HIS 247 Cb 0.27 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.94 1ogy h HIS 247 CO -0.15 0.67 0.12 0.82 0.71 0.00 0.00 177.93 180.10 1ogy h ILE 248 N 0.77 1.21 -0.06 6.26 2.04 -0.06 -2.60 117.51 125.08 1ogy h ILE 248 Ca 0.17 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1ogy h ILE 248 Cb 0.25 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1ogy h ILE 248 CO -0.01 0.24 -0.00 0.40 0.00 0.00 0.00 178.15 178.78 1ogy h ILE 249 N 0.47 1.27 -0.95 -0.67 1.08 -0.54 -1.79 117.51 116.38 1ogy h ILE 249 Ca 0.12 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1ogy h ILE 249 Cb 0.26 1.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 1ogy h ILE 249 CO -0.00 0.23 0.62 0.28 -0.69 0.00 0.00 178.15 178.59 1ogy h SER 250 N -0.19 1.09 -0.10 1.72 0.02 -0.20 -1.63 113.55 114.25 1ogy h SER 250 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ogy h SER 250 Cb 0.36 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ogy h SER 250 CO 0.00 0.80 0.00 0.41 -1.14 0.00 0.00 176.83 176.90 1ogy n THR 251 N -4.39 0.14 -3.50 -2.27 -1.04 -0.98 -4.92 114.28 97.32 1ogy n THR 251 Ca 0.11 -0.18 -0.20 0.00 -2.04 0.00 0.00 64.05 61.75 1ogy n THR 251 Cb 0.02 0.05 0.08 0.00 -1.82 0.00 0.00 70.33 68.66 1ogy n THR 251 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ogy n GLY 252 N 0.89 -0.41 2.09 3.41 0.00 -0.61 -4.94 105.19 105.62 1ogy n GLY 252 Ca 0.12 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1ogy n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy n ARG 253 N -4.41 3.47 -2.83 1.61 1.74 -0.68 -5.03 116.66 110.53 1ogy n ARG 253 Ca -0.20 -4.12 -0.31 0.00 -0.77 0.00 0.00 57.85 52.45 1ogy n ARG 253 Cb 0.64 -2.23 -0.04 0.00 -1.02 0.00 0.00 32.46 29.81 1ogy n ARG 253 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ogy s VAL 254 N -4.55 4.68 -0.90 1.55 1.01 -1.26 -4.79 120.40 116.14 1ogy s VAL 254 Ca 0.49 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 63.21 1ogy s VAL 254 Cb 0.40 -3.69 0.20 0.00 0.00 0.00 0.00 36.38 33.30 1ogy s VAL 254 CO 0.03 -0.46 0.93 0.21 0.00 0.00 0.00 175.10 175.81 1ogy s ASN 255 N -2.86 6.81 0.11 3.32 3.84 0.32 -4.89 114.94 121.59 1ogy s ASN 255 Ca 0.54 -2.66 -0.28 0.00 0.21 0.00 0.00 52.86 50.67 1ogy s ASN 255 Cb -0.10 -2.26 -0.08 0.00 -0.55 0.00 0.00 41.25 38.25 1ogy s ASN 255 CO 0.27 -0.66 1.61 0.03 -2.79 0.00 0.00 177.10 175.56 1ogy h ARG 256 N 7.87 -0.53 -1.03 0.43 3.08 -1.94 0.17 114.38 122.44 1ogy h ARG 256 Ca 0.14 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.51 1ogy h ARG 256 Cb 1.01 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 1ogy h ARG 256 CO 0.89 -0.35 0.72 -0.44 -1.07 0.00 0.00 179.97 179.72 1ogy h ASP 257 N -0.55 0.09 0.00 7.04 3.32 -1.99 0.42 116.42 124.76 1ogy h ASP 257 Ca 0.03 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1ogy h ASP 257 Cb 0.59 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ogy h ASP 257 CO -0.21 0.02 -0.42 0.15 -1.72 0.00 0.00 179.24 177.07 1ogy h PHE 258 N 0.08 0.00 -0.74 4.55 3.57 -1.70 -2.98 116.94 119.73 1ogy h PHE 258 Ca 0.51 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.98 1ogy h PHE 258 Cb 1.85 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 1ogy h PHE 258 CO -0.00 1.12 0.34 0.28 -2.23 0.00 0.00 178.31 177.82 1ogy h VAL 259 N -1.00 1.24 -0.46 1.41 2.07 0.25 0.73 116.25 120.49 1ogy h VAL 259 Ca -0.11 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1ogy h VAL 259 Cb 1.06 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1ogy h VAL 259 CO -0.07 0.29 -0.06 0.44 0.02 0.00 0.00 177.57 178.19 1ogy h ASP 260 N 1.04 0.85 0.85 0.57 3.32 -0.36 -2.62 116.42 120.07 1ogy h ASP 260 Ca 0.25 -0.34 -0.20 0.00 0.02 0.00 0.00 57.03 56.77 1ogy h ASP 260 Cb 0.13 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1ogy h ASP 260 CO -0.03 0.99 -1.24 -0.09 -1.72 0.00 0.00 179.24 177.15 1ogy h ARG 261 N 0.70 0.00 0.00 3.56 2.43 -1.34 -3.40 114.38 116.33 1ogy h ARG 261 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ogy h ARG 261 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ogy h ARG 261 CO 0.03 0.51 -0.12 0.72 -1.51 0.00 0.00 179.97 179.61 1ogy n HIS 262 N -3.08 0.00 -4.12 2.20 8.25 0.25 -4.95 115.22 113.77 1ogy n HIS 262 Ca -0.07 -0.65 -0.12 0.00 -0.26 0.00 0.00 57.72 56.62 1ogy n HIS 262 Cb 0.89 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.79 1ogy n HIS 262 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ogy s THR 263 N -1.81 0.63 0.21 1.59 2.01 -0.99 -1.78 115.64 115.50 1ogy s THR 263 Ca 0.19 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.67 1ogy s THR 263 Cb 0.16 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1ogy s THR 263 CO 0.02 -0.64 0.04 0.20 -0.69 0.00 0.00 174.62 173.54 1ogy s ASN 264 N -2.36 1.31 0.42 3.53 0.01 -0.82 -4.86 114.94 112.18 1ogy s ASN 264 Ca 0.02 -1.26 0.04 0.00 -0.71 0.00 0.00 52.86 50.95 1ogy s ASN 264 Cb -0.02 0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.71 1ogy s ASN 264 CO -0.02 -0.62 0.04 -0.36 -1.51 0.00 0.00 177.10 174.63 1ogy s PHE 265 N -3.65 2.05 -0.07 2.20 0.40 -1.26 -1.19 117.98 116.45 1ogy s PHE 265 Ca 0.30 -0.95 -0.32 0.00 -0.60 0.00 0.00 56.93 55.36 1ogy s PHE 265 Cb 0.07 -1.48 0.12 0.00 0.51 0.00 0.00 43.02 42.24 1ogy s PHE 265 CO 0.08 0.12 1.19 0.00 0.70 0.00 0.00 175.22 177.32 1ogy s ALA 266 N -3.01 -2.08 -0.02 5.36 0.00 -0.61 -3.58 121.76 117.83 1ogy s ALA 266 Ca 0.25 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1ogy s ALA 266 Cb 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1ogy s ALA 266 CO 0.12 -0.83 -0.21 -0.51 0.00 0.00 0.00 175.76 174.33 1ogy s LEU 267 N -2.60 2.04 0.24 0.00 1.43 -0.89 0.44 118.68 119.35 1ogy s LEU 267 Ca 0.11 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1ogy s LEU 267 Cb 0.01 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1ogy s LEU 267 CO -0.04 0.26 0.47 -0.83 0.23 0.00 0.00 176.35 176.44 1ogy s GLY 268 N -0.50 1.86 0.24 -3.19 0.00 -0.64 -4.30 107.32 100.79 1ogy s GLY 268 Ca 0.08 -0.67 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 1ogy s GLY 268 CO -0.01 -0.60 1.63 0.00 0.00 0.00 0.00 173.10 174.13 1ogy s ALA 269 N -1.95 3.82 -0.12 3.20 0.00 -1.15 -4.92 121.76 120.63 1ogy s ALA 269 Ca 0.41 1.53 0.16 0.00 0.00 0.00 0.00 51.96 54.06 1ogy s ALA 269 Cb -0.11 -3.66 -0.24 0.00 0.00 0.00 0.00 23.12 19.12 1ogy s ALA 269 CO 0.29 -0.92 0.38 0.25 0.00 0.00 0.00 175.76 175.76 1ogy n THR 270 N 3.14 1.45 -1.32 0.00 -2.24 -1.26 -4.38 114.28 109.68 1ogy n THR 270 Ca 0.12 -0.82 -0.32 0.00 -2.27 0.00 0.00 64.05 60.77 1ogy n THR 270 Cb 0.37 -0.72 0.11 0.00 -2.10 0.00 0.00 70.33 67.98 1ogy n THR 270 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ogy n ASP 271 N -2.88 6.55 -4.19 3.42 2.03 -1.26 -4.98 116.55 115.24 1ogy n ASP 271 Ca -0.24 -3.74 -0.35 0.00 0.52 0.00 0.00 54.79 50.98 1ogy n ASP 271 Cb 1.08 -0.93 0.08 0.00 -0.72 0.00 0.00 41.12 40.64 1ogy n ASP 271 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ogy n ILE 272 N -0.98 0.00 -3.57 5.18 5.41 -1.26 -4.20 119.36 119.95 1ogy n ILE 272 Ca 0.62 -0.34 -0.29 0.00 1.00 0.00 0.00 62.75 63.74 1ogy n ILE 272 Cb 0.94 -0.29 -0.15 0.00 -0.71 0.00 0.00 39.64 39.43 1ogy n ILE 272 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ogy s GLY 273 N -1.47 0.59 0.00 7.39 0.00 -1.26 -4.89 107.32 107.68 1ogy s GLY 273 Ca 0.48 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1ogy s GLY 273 CO 0.75 2.00 0.00 -1.72 0.00 0.00 0.00 173.10 174.13 1ogy n TYR 274 N 5.14 0.00 0.00 1.90 4.02 -1.26 -4.20 117.16 122.75 1ogy n TYR 274 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1ogy n TYR 274 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1ogy n TYR 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ogy n GLY 275 N -0.07 0.00 0.00 2.72 0.00 -1.15 -4.37 105.19 102.32 1ogy n GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ogy n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ogy n LEU 276 N 0.00 0.00 -4.83 0.99 4.77 -1.26 -3.82 117.00 112.85 1ogy n LEU 276 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1ogy n LEU 276 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ogy n LEU 276 CO 0.00 0.00 0.32 -0.13 -1.33 0.00 0.00 177.39 176.25 1ogy s ARG 277 N 2.15 4.09 0.15 3.23 0.52 -1.26 -5.01 118.95 122.83 1ogy s ARG 277 Ca 0.00 0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 55.56 1ogy s ARG 277 Cb 0.00 -2.90 -0.08 0.00 0.52 0.00 0.00 34.95 32.49 1ogy s ARG 277 CO 0.00 0.44 1.35 -1.25 0.02 0.00 0.00 175.30 175.86 1ogy s PRO 278 N -1.98 4.35 0.00 3.54 0.04 -1.26 -1.97 135.00 137.72 1ogy s PRO 278 Ca 0.40 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1ogy s PRO 278 Cb -0.16 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1ogy s PRO 278 CO 0.20 -0.36 0.00 0.39 0.04 0.00 0.00 177.00 177.27 1ogy n GLU 279 N 3.34 0.00 -2.18 4.56 1.02 -1.26 -5.08 120.64 121.04 1ogy n GLU 279 Ca 0.09 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 1ogy n GLU 279 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.83 1ogy n GLU 279 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ogy s HIS 280 N 0.00 3.03 0.13 -0.32 2.46 -0.83 -4.93 115.29 114.83 1ogy s HIS 280 Ca 0.00 1.48 -0.27 0.00 0.47 0.00 0.00 55.06 56.75 1ogy s HIS 280 Cb 0.00 -3.55 -0.04 0.00 -0.13 0.00 0.00 32.58 28.86 1ogy s HIS 280 CO 0.00 -1.65 1.61 1.96 -2.47 0.00 0.00 174.74 174.19 1ogy h GLN 281 N 2.96 -0.42 -1.42 2.88 4.20 -1.98 -2.65 115.11 118.68 1ogy h GLN 281 Ca -0.49 0.03 0.41 0.00 0.06 0.00 0.00 58.65 58.66 1ogy h GLN 281 Cb 1.23 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.05 1ogy h GLN 281 CO 0.64 -0.28 1.16 -0.07 -0.67 0.00 0.00 178.83 179.60 1ogy h LEU 282 N -0.44 0.00 0.15 1.46 3.38 -1.95 0.34 115.31 118.25 1ogy h LEU 282 Ca 0.08 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 1ogy h LEU 282 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ogy h LEU 282 CO -0.31 0.00 -1.68 1.56 0.09 0.00 0.00 178.44 178.10 1ogy h GLN 283 N 0.00 0.32 -0.24 1.13 4.20 -1.78 -2.74 115.11 116.00 1ogy h GLN 283 Ca 0.68 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1ogy h GLN 283 Cb 2.98 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 30.96 1ogy h GLN 283 CO -0.01 1.21 0.13 -0.07 -0.67 0.00 0.00 178.83 179.42 1ogy h LEU 284 N 0.09 0.31 -2.01 1.46 3.38 -0.35 -1.28 115.31 116.91 1ogy h LEU 284 Ca -0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1ogy h LEU 284 Cb 2.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 1ogy h LEU 284 CO 0.16 0.32 -0.10 0.00 0.09 0.00 0.00 178.44 178.92 1ogy h ALA 285 N 1.00 1.42 0.00 1.53 0.00 -1.37 -3.37 119.26 118.47 1ogy h ALA 285 Ca 0.08 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1ogy h ALA 285 Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ogy h ALA 285 CO -0.01 0.12 1.13 0.00 0.00 0.00 0.00 179.25 180.49 1ogy n ALA 286 N -2.33 3.74 -1.52 0.00 0.00 -0.48 -4.91 120.51 115.01 1ogy n ALA 286 Ca -0.02 -1.21 -0.58 0.00 0.00 0.00 0.00 53.44 51.63 1ogy n ALA 286 Cb 0.20 -2.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.99 1ogy n ALA 286 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ogy n LYS 287 N 3.50 0.67 0.00 0.00 5.02 -1.26 -0.31 118.16 125.78 1ogy n LYS 287 Ca 0.28 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1ogy n LYS 287 Cb 0.28 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1ogy n LYS 287 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ogy n GLY 288 N 5.73 1.03 0.17 0.72 0.00 -1.26 -4.33 105.19 107.26 1ogy n GLY 288 Ca 0.39 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.54 1ogy n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy h ALA 289 N 0.00 1.00 0.00 4.61 0.00 -0.85 -3.11 119.26 120.91 1ogy h ALA 289 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ogy h ALA 289 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ogy h ALA 289 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.91 1ogy h ALA 290 N 2.24 1.16 -3.00 0.00 0.00 -1.93 -3.39 119.26 114.34 1ogy h ALA 290 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ogy h ALA 290 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ogy h ALA 290 CO 0.00 0.42 0.00 -3.47 0.00 0.00 0.00 179.25 176.20 1ogy n ASP 291 N -3.72 0.00 -1.66 0.00 -0.08 -1.18 -5.09 116.55 104.82 1ogy n ASP 291 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1ogy n ASP 291 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1ogy n ASP 291 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ogy n ALA 292 N -3.00 -2.44 -0.20 -1.67 0.00 -1.19 -4.77 120.51 107.24 1ogy n ALA 292 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ogy n ALA 292 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1ogy n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogy n GLY 293 N 1.07 0.88 3.75 0.00 0.00 -1.26 -4.84 105.19 104.78 1ogy n GLY 293 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1ogy n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s ALA 294 N -2.00 3.32 0.00 4.61 0.00 -1.26 -4.96 121.76 121.47 1ogy s ALA 294 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1ogy s ALA 294 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ogy s ALA 294 CO 0.00 0.14 0.00 -1.33 0.00 0.00 0.00 175.76 174.57 1ogy n MET 295 N 1.92 0.00 -2.38 0.00 2.81 -1.26 -2.96 117.12 115.25 1ogy n MET 295 Ca -0.01 0.04 -0.03 0.00 -1.81 0.00 0.00 57.70 55.89 1ogy n MET 295 Cb 0.48 -0.35 -0.02 0.00 -0.71 0.00 0.00 33.22 32.62 1ogy n MET 295 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ogy n THR 296 N -1.98-12.44 -0.56 2.03 -2.24 -1.26 -2.79 114.28 95.03 1ogy n THR 296 Ca 0.00 2.77 -0.30 0.00 -2.27 0.00 0.00 64.05 64.25 1ogy n THR 296 Cb 0.00 -6.12 0.21 0.00 -2.10 0.00 0.00 70.33 62.32 1ogy n THR 296 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ogy n PRO 297 N 1.64 -2.23 0.00 -0.78 -0.02 -1.26 -2.09 135.00 130.26 1ogy n PRO 297 Ca -0.20 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1ogy n PRO 297 Cb 0.32 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1ogy n PRO 297 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ogy n THR 298 N -4.74 0.00 -3.85 3.45 -1.04 -1.23 -4.63 114.28 102.24 1ogy n THR 298 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1ogy n THR 298 Cb 0.58 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.99 1ogy n THR 298 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ogy s ASP 299 N 1.65 -0.03 0.24 8.00 -1.08 -1.26 -4.86 116.67 119.34 1ogy s ASP 299 Ca 0.00 -0.09 -0.06 0.00 -0.52 0.00 0.00 52.55 51.88 1ogy s ASP 299 Cb 0.00 0.24 0.28 0.00 -1.46 0.00 0.00 42.92 41.98 1ogy s ASP 299 CO 0.00 -0.33 1.90 0.15 0.52 0.00 0.00 175.17 177.41 1ogy h PHE 300 N 4.49 1.15 -0.87 -5.34 3.57 -1.99 -2.70 116.94 115.26 1ogy h PHE 300 Ca -0.30 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 1ogy h PHE 300 Cb 1.19 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1ogy h PHE 300 CO 0.56 0.67 0.54 0.93 -2.23 0.00 0.00 178.31 178.78 1ogy h GLU 301 N 1.20 1.17 -0.41 1.11 4.39 -2.00 -2.62 114.58 117.42 1ogy h GLU 301 Ca 0.36 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 1ogy h GLU 301 Cb -0.03 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 1ogy h GLU 301 CO -0.11 0.80 -0.15 1.15 -1.16 0.00 0.00 179.01 179.54 1ogy h THR 302 N 1.19 1.28 0.56 1.13 2.02 -1.89 -2.76 112.91 114.43 1ogy h THR 302 Ca 0.31 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1ogy h THR 302 Cb -0.08 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1ogy h THR 302 CO -0.06 0.43 -0.41 0.15 0.37 0.00 0.00 175.52 176.00 1ogy h PHE 303 N 0.64 -1.11 -0.96 3.16 3.57 -1.40 -1.53 116.94 119.31 1ogy h PHE 303 Ca 0.10 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.89 1ogy h PHE 303 Cb 0.70 0.41 -0.16 0.00 2.79 0.00 0.00 35.95 39.69 1ogy h PHE 303 CO 0.05 -0.59 0.28 0.00 -2.23 0.00 0.00 178.31 175.83 1ogy h ALA 304 N -1.21 1.53 0.00 2.41 0.00 -1.50 0.33 119.26 120.82 1ogy h ALA 304 Ca -0.07 0.27 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ogy h ALA 304 Cb 0.77 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ogy h ALA 304 CO 0.03 -0.63 -0.51 0.00 0.00 0.00 0.00 179.25 178.15 1ogy h ALA 305 N 1.90 1.16 -0.18 0.00 0.00 -1.16 -1.85 119.26 119.13 1ogy h ALA 305 Ca 0.66 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1ogy h ALA 305 Cb 1.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ogy h ALA 305 CO -0.76 0.64 -0.38 1.25 0.00 0.00 0.00 179.25 179.99 1ogy h LEU 306 N 0.00 0.66 -0.95 0.00 5.85 0.64 -2.91 115.31 118.59 1ogy h LEU 306 Ca -0.01 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1ogy h LEU 306 Cb 0.90 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1ogy h LEU 306 CO 0.07 1.09 0.00 0.58 -0.34 0.00 0.00 178.44 179.84 1ogy h VAL 307 N 0.25 0.00 -0.15 1.05 2.07 -1.08 -2.95 116.25 115.44 1ogy h VAL 307 Ca 0.00 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1ogy h VAL 307 Cb 0.99 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1ogy h VAL 307 CO 0.09 0.00 -0.27 0.28 0.02 0.00 0.00 177.57 177.69 1ogy h SER 308 N 0.00 0.27 -0.27 0.57 0.02 -1.13 -2.82 113.55 110.19 1ogy h SER 308 Ca 0.00 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1ogy h SER 308 Cb 0.36 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1ogy h SER 308 CO 0.00 0.54 0.18 -0.08 -1.14 0.00 0.00 176.83 176.34 1ogy h GLU 309 N 0.24 0.19 -4.34 3.45 4.81 -1.64 -3.28 114.58 114.02 1ogy h GLU 309 Ca 0.04 -0.01 -0.74 0.00 -0.13 0.00 0.00 59.36 58.51 1ogy h GLU 309 Cb 0.61 -0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.77 1ogy h GLU 309 CO 0.04 0.13 1.57 0.66 -0.73 0.00 0.00 179.01 180.68 1ogy n TYR 310 N -4.49 4.31 -1.32 0.92 4.01 -1.06 -4.85 117.16 114.69 1ogy n TYR 310 Ca 0.02 -3.18 -0.31 0.00 -0.16 0.00 0.00 57.90 54.27 1ogy n TYR 310 Cb 0.20 -2.11 0.09 0.00 -0.31 0.00 0.00 39.34 37.21 1ogy n TYR 310 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ogy s THR 311 N 1.16 3.24 0.30 -0.72 2.01 -1.24 -4.15 115.64 116.24 1ogy s THR 311 Ca 0.42 0.43 -0.00 0.00 0.31 0.00 0.00 61.69 62.85 1ogy s THR 311 Cb 0.01 -2.90 0.28 0.00 0.01 0.00 0.00 72.50 69.90 1ogy s THR 311 CO 0.00 -0.49 1.92 0.25 -0.69 0.00 0.00 174.62 175.61 1ogy h LEU 312 N -0.96 0.93 -1.29 4.42 5.85 -1.94 0.33 115.31 122.66 1ogy h LEU 312 Ca -0.44 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 1ogy h LEU 312 Cb 1.24 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1ogy h LEU 312 CO 0.51 0.61 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.79 1ogy h GLU 313 N 1.06 0.36 0.10 1.25 3.07 -1.98 -1.86 114.58 116.58 1ogy h GLU 313 Ca 0.38 -0.09 -0.19 0.00 -0.50 0.00 0.00 59.36 58.96 1ogy h GLU 313 Cb 0.13 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1ogy h GLU 313 CO -0.13 0.47 -0.92 -0.22 -1.40 0.00 0.00 179.01 176.81 1ogy h LYS 314 N 0.34 0.22 -0.41 2.33 3.64 -1.31 -2.99 116.57 118.38 1ogy h LYS 314 Ca 0.07 -0.37 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1ogy h LYS 314 Cb 0.40 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 1ogy h LYS 314 CO 0.02 1.18 0.02 0.00 -2.27 0.00 0.00 179.45 178.39 1ogy h ALA 315 N -0.01 0.40 -0.53 5.00 0.00 -0.40 -0.92 119.26 122.79 1ogy h ALA 315 Ca -0.19 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ogy h ALA 315 Cb 1.56 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1ogy h ALA 315 CO 0.08 -0.38 0.20 0.00 0.00 0.00 0.00 179.25 179.14 1ogy h ALA 316 N 1.36 0.66 -0.51 0.00 0.00 -1.45 -0.81 119.26 118.51 1ogy h ALA 316 Ca 0.20 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1ogy h ALA 316 Cb 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1ogy h ALA 316 CO -0.33 -0.20 0.26 1.49 0.00 0.00 0.00 179.25 180.48 1ogy h GLU 317 N 0.38 0.50 -0.27 0.00 4.57 -1.04 -0.92 114.58 117.79 1ogy h GLU 317 Ca 0.26 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.24 1ogy h GLU 317 Cb 0.28 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1ogy h GLU 317 CO -0.26 0.33 -0.51 0.82 -1.18 0.00 0.00 179.01 178.21 1ogy h ILE 318 N 0.51 1.29 0.04 2.32 2.04 -0.76 -3.37 117.51 119.58 1ogy h ILE 318 Ca 0.22 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1ogy h ILE 318 Cb 0.12 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1ogy h ILE 318 CO -0.15 0.55 -0.02 0.77 0.00 0.00 0.00 178.15 179.30 1ogy h SER 319 N 0.61 -0.04 0.00 1.72 4.64 -1.02 -3.44 113.55 116.02 1ogy h SER 319 Ca 0.02 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ogy h SER 319 Cb 1.09 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1ogy h SER 319 CO 0.11 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1ogy n GLY 320 N 1.64 1.55 3.84 -0.77 0.00 -0.36 -2.51 105.19 108.57 1ogy n GLY 320 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1ogy n GLY 320 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ogy s VAL 321 N -2.00 5.37 0.24 1.61 -7.23 -1.25 -4.98 120.40 112.17 1ogy s VAL 321 Ca 0.00 0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 60.24 1ogy s VAL 321 Cb 0.00 -3.50 -0.11 0.00 0.56 0.00 0.00 36.38 33.33 1ogy s VAL 321 CO 0.00 0.57 1.59 -1.61 -0.31 0.00 0.00 175.10 175.34 1ogy s GLU 322 N -0.76 4.17 0.43 4.82 0.41 -1.26 -4.66 118.70 121.85 1ogy s GLU 322 Ca 0.16 2.49 0.22 0.00 -0.41 0.00 0.00 54.97 57.43 1ogy s GLU 322 Cb -0.13 -3.08 1.20 0.00 -1.78 0.00 0.00 34.13 30.34 1ogy s GLU 322 CO 0.05 -0.62 1.79 -1.00 -0.49 0.00 0.00 175.26 175.00 1ogy h PRO 323 N 5.76 0.30 -0.69 0.39 0.13 -1.94 -1.86 132.00 134.10 1ogy h PRO 323 Ca -0.45 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 1ogy h PRO 323 Cb 1.21 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1ogy h PRO 323 CO 0.86 0.20 0.46 0.00 -0.23 0.00 0.00 178.00 179.28 1ogy h ALA 324 N 1.58 2.07 -0.08 -0.56 0.00 -1.99 -0.48 119.26 119.80 1ogy h ALA 324 Ca 0.56 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.28 1ogy h ALA 324 Cb 1.60 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1ogy h ALA 324 CO -0.22 -0.24 -0.70 -0.07 0.00 0.00 0.00 179.25 178.02 1ogy h LEU 325 N 0.41 0.76 -1.79 0.00 4.07 -1.70 -2.20 115.31 114.86 1ogy h LEU 325 Ca 0.33 -0.67 -0.03 0.00 0.08 0.00 0.00 57.88 57.58 1ogy h LEU 325 Cb 0.71 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1ogy h LEU 325 CO -0.10 1.32 -0.15 -0.07 -1.08 0.00 0.00 178.44 178.36 1ogy h LEU 326 N 0.26 0.00 -0.40 1.67 4.07 -1.33 0.99 115.31 120.56 1ogy h LEU 326 Ca -0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.72 1ogy h LEU 326 Cb 1.35 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 1ogy h LEU 326 CO 0.14 0.15 -0.79 -0.33 -1.08 0.00 0.00 178.44 176.53 1ogy h GLU 327 N 0.00 0.14 -0.21 1.13 5.08 -1.01 -0.89 114.58 118.82 1ogy h GLU 327 Ca -0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1ogy h GLU 327 Cb 0.36 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ogy h GLU 327 CO 0.02 0.86 -0.22 0.93 -1.00 0.00 0.00 179.01 179.60 1ogy h GLU 328 N 0.09 0.52 0.00 2.33 5.08 -0.34 -2.51 114.58 119.74 1ogy h GLU 328 Ca -0.03 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1ogy h GLU 328 Cb 1.39 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ogy h GLU 328 CO 0.12 0.86 0.00 -0.11 -1.00 0.00 0.00 179.01 178.88 1ogy n LEU 329 N -4.41 0.02 -0.14 1.33 7.94 0.14 -2.66 117.00 119.22 1ogy n LEU 329 Ca -0.05 0.80 -0.01 0.00 -1.11 0.00 0.00 56.01 55.64 1ogy n LEU 329 Cb 0.42 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1ogy n LEU 329 CO 0.42 -0.31 0.20 0.00 -1.11 0.00 0.00 177.39 176.58 1ogy n ALA 330 N -1.44 -0.08 -0.24 1.96 0.00 -0.35 0.50 120.51 120.87 1ogy n ALA 330 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1ogy n ALA 330 Cb 0.00 -0.13 0.09 0.00 0.00 0.00 0.00 19.45 19.41 1ogy n ALA 330 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ogy h GLU 331 N 0.00 0.75 0.12 0.00 4.39 -1.43 -2.33 114.58 116.07 1ogy h GLU 331 Ca 0.11 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1ogy h GLU 331 Cb 0.19 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ogy h GLU 331 CO -0.34 0.50 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.78 1ogy h LEU 332 N 0.77 -0.43 0.00 1.33 4.07 0.29 0.44 115.31 121.78 1ogy h LEU 332 Ca 0.29 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1ogy h LEU 332 Cb 0.10 0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ogy h LEU 332 CO -0.14 -0.23 0.00 -1.22 -1.08 0.00 0.00 178.44 175.77 1ogy n TYR 333 N -5.28 0.00 0.00 1.13 4.02 -0.97 -3.69 117.16 112.36 1ogy n TYR 333 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1ogy n TYR 333 Cb 0.20 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1ogy n TYR 333 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogy n ALA 334 N -1.20 2.00 -1.58 -0.72 0.00 0.12 -4.95 120.51 114.19 1ogy n ALA 334 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.98 1ogy n ALA 334 Cb 0.01 0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1ogy n ALA 334 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ogy n ASP 335 N -2.40 3.01 -1.55 0.00 5.75 0.65 -4.62 116.55 117.39 1ogy n ASP 335 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1ogy n ASP 335 Cb 0.49 -1.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 1ogy n ASP 335 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ogy n PRO 336 N 7.98 0.06 0.00 0.11 -0.04 -1.26 -0.71 135.00 141.14 1ogy n PRO 336 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ogy n PRO 336 Cb 0.34 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1ogy n PRO 336 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ogy n ASP 337 N 1.53 0.63 -4.66 3.54 9.92 -1.26 -5.02 116.55 121.23 1ogy n ASP 337 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1ogy n ASP 337 Cb 0.03 0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.58 1ogy n ASP 337 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ogy s ARG 338 N -0.71 4.19 -0.57 -1.24 3.52 0.11 -4.90 118.95 119.35 1ogy s ARG 338 Ca 0.00 2.14 -0.26 0.00 -0.13 0.00 0.00 55.73 57.48 1ogy s ARG 338 Cb 0.00 -3.95 0.04 0.00 -1.56 0.00 0.00 34.95 29.47 1ogy s ARG 338 CO 0.00 -0.83 1.06 0.15 -0.81 0.00 0.00 175.30 174.87 1ogy s LYS 339 N 3.94 3.39 0.55 5.12 1.02 -1.26 -4.89 119.74 127.62 1ogy s LYS 339 Ca 0.71 -0.07 -0.15 0.00 0.02 0.00 0.00 55.97 56.48 1ogy s LYS 339 Cb -0.32 -4.05 -0.06 0.00 -0.52 0.00 0.00 37.83 32.88 1ogy s LYS 339 CO 0.28 -1.60 1.01 -0.46 -0.92 0.00 0.00 175.35 173.66 1ogy s TRP 340 N 4.44 3.37 -0.36 3.18 -0.00 -1.26 -1.35 118.94 126.96 1ogy s TRP 340 Ca 0.35 1.45 0.02 0.00 -0.00 0.00 0.00 56.10 57.92 1ogy s TRP 340 Cb -0.10 -2.83 0.15 0.00 -0.00 0.00 0.00 33.47 30.69 1ogy s TRP 340 CO 0.21 -0.59 0.33 1.41 -0.00 0.00 0.00 176.95 178.31 1ogy s MET 341 N -4.27 0.60 0.03 5.86 -2.45 -0.79 -1.86 119.30 116.43 1ogy s MET 341 Ca 0.59 -0.95 -0.27 0.00 -1.25 0.00 0.00 55.69 53.82 1ogy s MET 341 Cb -0.11 -0.87 -0.05 0.00 1.25 0.00 0.00 34.83 35.05 1ogy s MET 341 CO 0.37 -1.19 0.83 -1.12 1.05 0.00 0.00 175.02 174.96 1ogy s SER 342 N 1.38 7.26 -0.01 1.11 0.01 -0.66 -2.37 113.70 120.41 1ogy s SER 342 Ca 0.17 1.51 0.05 0.00 1.31 0.00 0.00 55.95 58.99 1ogy s SER 342 Cb -0.17 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1ogy s SER 342 CO -0.04 -0.07 -0.18 -0.76 0.41 0.00 0.00 173.24 172.61 1ogy s LEU 343 N 0.29 2.03 -0.16 2.44 1.43 0.22 0.93 118.68 125.85 1ogy s LEU 343 Ca 0.42 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1ogy s LEU 343 Cb -0.21 -0.92 0.05 0.00 0.03 0.00 0.00 46.19 45.14 1ogy s LEU 343 CO 0.24 0.22 0.47 -1.66 0.23 0.00 0.00 176.35 175.85 1ogy s TRP 344 N -0.40 -0.50 0.00 0.29 -2.14 -1.16 -0.30 118.94 114.73 1ogy s TRP 344 Ca 0.06 1.20 0.00 0.00 2.66 0.00 0.00 56.10 60.02 1ogy s TRP 344 Cb -0.07 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 1ogy s TRP 344 CO -0.01 -0.27 0.00 2.41 -2.66 0.00 0.00 176.95 176.42 1ogy n THR 345 N 2.66 0.00 0.32 0.66 -1.04 -1.26 -1.83 114.28 113.79 1ogy n THR 345 Ca -0.14 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.05 1ogy n THR 345 Cb 0.57 0.00 0.94 0.00 -1.82 0.00 0.00 70.33 70.02 1ogy n THR 345 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1ogy h MET 346 N 0.00 0.00 -0.74 -2.82 2.86 -1.89 -2.78 114.93 109.56 1ogy h MET 346 Ca 0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1ogy h MET 346 Cb 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 1ogy h MET 346 CO 0.00 0.00 0.34 0.78 1.06 0.00 0.00 176.91 179.09 1ogy h GLY 347 N 0.00 1.12 0.83 8.32 0.00 -1.82 -0.54 103.07 110.98 1ogy h GLY 347 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 47.33 46.80 1ogy h GLY 347 CO 0.00 -0.02 -1.83 0.74 0.00 0.00 0.00 176.54 175.43 1ogy h PHE 348 N 0.53 0.47 -0.25 5.60 -1.00 -1.72 -3.41 116.94 117.17 1ogy h PHE 348 Ca 0.39 -0.34 -0.17 0.00 2.81 0.00 0.00 57.97 60.65 1ogy h PHE 348 Cb 0.51 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1ogy h PHE 348 CO -0.13 1.60 -0.52 -0.91 -1.61 0.00 0.00 178.31 176.74 1ogy h ASN 349 N 0.07 0.88 -1.69 2.17 4.21 -1.32 -3.29 115.58 116.62 1ogy h ASN 349 Ca -0.36 -0.55 -0.77 0.00 1.21 0.00 0.00 56.30 55.83 1ogy h ASN 349 Cb 2.05 -0.25 -0.19 0.00 -1.12 0.00 0.00 38.32 38.81 1ogy h ASN 349 CO 0.12 1.27 1.79 0.00 -1.29 0.00 0.00 177.43 179.32 1ogy n GLN 350 N -4.09 4.71 -4.16 0.81 6.02 -0.23 -4.55 117.38 115.90 1ogy n GLN 350 Ca -0.05 -3.94 -0.19 0.00 -0.01 0.00 0.00 57.00 52.81 1ogy n GLN 350 Cb 0.61 -2.61 -0.16 0.00 1.02 0.00 0.00 30.24 29.10 1ogy n GLN 350 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ogy s HIS 351 N -2.06 0.69 -1.28 1.08 2.46 -1.24 -4.03 115.29 110.90 1ogy s HIS 351 Ca 0.45 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.83 1ogy s HIS 351 Cb 0.16 -0.60 0.09 0.00 -0.13 0.00 0.00 32.58 32.10 1ogy s HIS 351 CO -0.07 -0.16 0.93 1.33 -2.47 0.00 0.00 174.74 174.30 1ogy n VAL 352 N 3.91 1.35 -2.61 0.89 0.24 -1.26 -0.02 118.33 120.83 1ogy n VAL 352 Ca -0.24 0.34 -0.07 0.00 -2.04 0.00 0.00 64.34 62.33 1ogy n VAL 352 Cb 0.51 -1.31 0.04 0.00 -1.47 0.00 0.00 33.84 31.62 1ogy n VAL 352 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ogy n ARG 353 N -1.36 2.26 0.08 7.34 5.12 -1.26 -4.19 116.66 124.64 1ogy n ARG 353 Ca 0.01 -3.69 -0.13 0.00 -1.93 0.00 0.00 57.85 52.11 1ogy n ARG 353 Cb 0.02 -1.79 -0.08 0.00 -1.16 0.00 0.00 32.46 29.45 1ogy n ARG 353 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1ogy h GLY 354 N 2.48 -0.15 0.21 -0.13 0.00 -0.58 -1.36 103.07 103.53 1ogy h GLY 354 Ca 0.00 0.06 0.18 0.00 0.00 0.00 0.00 47.33 47.57 1ogy h GLY 354 CO 0.34 -0.06 0.62 -2.08 0.00 0.00 0.00 176.54 175.36 1ogy h VAL 355 N -0.25 0.75 -0.24 4.60 2.07 -1.82 0.17 116.25 121.54 1ogy h VAL 355 Ca -0.02 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1ogy h VAL 355 Cb 0.20 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1ogy h VAL 355 CO 0.02 0.15 0.03 -0.50 0.02 0.00 0.00 177.57 177.29 1ogy h TRP 356 N 0.80 0.43 0.04 1.57 4.06 -1.87 -0.47 115.95 120.51 1ogy h TRP 356 Ca 0.56 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 61.47 1ogy h TRP 356 Cb 0.82 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.83 1ogy h TRP 356 CO -0.00 0.54 -0.22 0.00 -3.56 0.00 0.00 178.44 175.20 1ogy h ALA 357 N 0.84 -0.31 -0.24 1.49 0.00 0.35 0.48 119.26 121.86 1ogy h ALA 357 Ca 0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ogy h ALA 357 Cb 0.34 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1ogy h ALA 357 CO 0.01 -0.73 -0.30 -0.91 0.00 0.00 0.00 179.25 177.32 1ogy h ASN 358 N -0.37 -0.97 -0.34 0.00 2.35 -0.73 -1.25 115.58 114.27 1ogy h ASN 358 Ca 0.05 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1ogy h ASN 358 Cb 0.43 0.43 -0.09 0.00 0.05 0.00 0.00 38.32 39.15 1ogy h ASN 358 CO -0.17 -0.33 -0.36 0.45 -1.65 0.00 0.00 177.43 175.38 1ogy h HIS 359 N -0.31 -1.01 -0.74 1.19 3.86 -0.02 -1.59 115.15 116.53 1ogy h HIS 359 Ca 0.13 0.06 0.16 0.00 -1.16 0.00 0.00 60.37 59.55 1ogy h HIS 359 Cb 0.52 0.49 -0.05 0.00 1.06 0.00 0.00 27.41 29.44 1ogy h HIS 359 CO -0.44 -0.41 0.50 0.52 0.86 0.00 0.00 177.93 178.96 1ogy h MET 360 N -0.31 0.33 -0.25 2.45 2.86 0.10 -1.09 114.93 119.02 1ogy h MET 360 Ca 0.15 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 1ogy h MET 360 Cb 0.56 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1ogy h MET 360 CO -0.51 0.22 -0.59 0.28 1.06 0.00 0.00 176.91 177.37 1ogy h VAL 361 N 0.34 1.28 -0.50 -2.22 2.07 -0.37 -2.84 116.25 114.00 1ogy h VAL 361 Ca 0.36 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 1ogy h VAL 361 Cb 0.93 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1ogy h VAL 361 CO -0.10 0.57 0.14 1.88 0.02 0.00 0.00 177.57 180.08 1ogy h TYR 362 N 0.60 0.75 -0.40 1.57 0.99 -0.77 -2.80 116.97 116.92 1ogy h TYR 362 Ca -0.00 -0.06 0.07 0.00 2.00 0.00 0.00 58.73 60.74 1ogy h TYR 362 Cb 1.20 -0.23 -0.06 0.00 1.00 0.00 0.00 36.73 38.65 1ogy h TYR 362 CO 0.08 0.63 0.06 -0.91 -0.00 0.00 0.00 178.16 178.02 1ogy h ASN 363 N 0.72 -0.03 -1.00 3.88 2.35 -1.06 0.73 115.58 121.17 1ogy h ASN 363 Ca 0.16 0.07 0.11 0.00 -0.55 0.00 0.00 56.30 56.10 1ogy h ASN 363 Cb 0.24 0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 1ogy h ASN 363 CO -0.01 0.02 0.63 -0.07 -1.65 0.00 0.00 177.43 176.36 1ogy h LEU 364 N 0.19 0.95 -0.05 1.61 3.38 -1.39 0.68 115.31 120.67 1ogy h LEU 364 Ca 0.20 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1ogy h LEU 364 Cb 0.25 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ogy h LEU 364 CO -0.27 0.52 -0.39 0.45 0.09 0.00 0.00 178.44 178.84 1ogy h HIS 365 N 1.03 0.49 -0.34 1.13 3.86 -0.97 -3.05 115.15 117.29 1ogy h HIS 365 Ca 0.49 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1ogy h HIS 365 Cb 0.44 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1ogy h HIS 365 CO -0.00 1.00 0.20 -0.07 0.86 0.00 0.00 177.93 179.92 1ogy h LEU 366 N -0.16 0.41 -1.47 2.43 3.38 0.12 0.37 115.31 120.38 1ogy h LEU 366 Ca -0.03 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1ogy h LEU 366 Cb 1.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1ogy h LEU 366 CO 0.08 0.34 0.48 -0.07 0.09 0.00 0.00 178.44 179.36 1ogy h LEU 367 N 0.44 0.53 0.00 1.67 4.07 0.26 -2.48 115.31 119.81 1ogy h LEU 367 Ca 0.12 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1ogy h LEU 367 Cb 0.01 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1ogy h LEU 367 CO -0.02 0.31 -0.93 0.35 -1.08 0.00 0.00 178.44 177.07 1ogy n THR 368 N -4.49 0.01 -1.31 0.22 -2.24 -0.84 -0.52 114.28 105.11 1ogy n THR 368 Ca 0.12 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1ogy n THR 368 Cb 0.36 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 1ogy n THR 368 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogy n GLY 369 N 1.48 0.51 3.36 3.38 0.00 0.12 -4.54 105.19 109.50 1ogy n GLY 369 Ca 0.04 -0.92 -0.45 0.00 0.00 0.00 0.00 46.02 44.69 1ogy n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy s LYS 370 N -2.69 4.09 -0.02 1.61 1.02 -0.59 -4.95 119.74 118.21 1ogy s LYS 370 Ca 0.00 -2.98 -0.29 0.00 0.02 0.00 0.00 55.97 52.72 1ogy s LYS 370 Cb 0.00 -4.63 0.08 0.00 -0.52 0.00 0.00 37.83 32.77 1ogy s LYS 370 CO 0.00 -1.34 0.73 -1.50 -0.92 0.00 0.00 175.35 172.32 1ogy s ILE 371 N -0.53 0.00 -1.40 2.17 2.07 -1.25 -4.28 121.20 117.98 1ogy s ILE 371 Ca 0.31 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.50 1ogy s ILE 371 Cb -0.09 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.53 1ogy s ILE 371 CO -0.07 0.00 0.39 -1.20 -1.91 0.00 0.00 174.94 172.15 1ogy n SER 372 N 0.52 -4.92 -4.08 4.50 7.64 -1.24 -4.98 113.62 111.07 1ogy n SER 372 Ca -0.16 -0.20 -0.11 0.00 1.01 0.00 0.00 58.87 59.41 1ogy n SER 372 Cb 0.59 -4.05 -0.11 0.00 -1.01 0.00 0.00 64.21 59.64 1ogy n SER 372 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ogy s GLU 373 N -5.60 0.57 0.10 1.43 2.02 -1.22 -4.76 118.70 111.24 1ogy s GLU 373 Ca 0.24 -0.92 -0.31 0.00 0.02 0.00 0.00 54.97 54.01 1ogy s GLU 373 Cb -0.12 -0.16 -0.10 0.00 0.10 0.00 0.00 34.13 33.85 1ogy s GLU 373 CO 0.30 0.00 1.82 -1.25 0.02 0.00 0.00 175.26 176.15 1ogy s PRO 374 N -2.31 4.15 0.00 0.39 0.04 -1.26 -1.78 135.00 134.22 1ogy s PRO 374 Ca -0.04 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1ogy s PRO 374 Cb -0.05 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1ogy s PRO 374 CO -0.02 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1ogy n GLY 375 N 4.24 2.80 3.31 0.56 0.00 -1.26 -4.80 105.19 110.03 1ogy n GLY 375 Ca 0.18 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1ogy n GLY 375 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ogy s ASN 376 N 0.59 5.90 -0.28 1.61 0.02 -0.74 -4.15 114.94 117.90 1ogy s ASN 376 Ca 0.00 -1.54 -0.24 0.00 -1.02 0.00 0.00 52.86 50.06 1ogy s ASN 376 Cb 0.00 -2.09 0.09 0.00 0.02 0.00 0.00 41.25 39.27 1ogy s ASN 376 CO 0.00 -0.64 0.85 -0.94 0.02 0.00 0.00 177.10 176.38 1ogy s SER 377 N 2.57 -0.65 -0.72 -1.22 1.04 -0.78 -3.43 113.70 110.51 1ogy s SER 377 Ca 0.04 1.21 -0.20 0.00 0.48 0.00 0.00 55.95 57.48 1ogy s SER 377 Cb -0.25 1.23 0.11 0.00 0.10 0.00 0.00 66.02 67.21 1ogy s SER 377 CO 0.03 -0.21 0.91 -2.16 0.98 0.00 0.00 173.24 172.80 1ogy s PRO 378 N 0.49 3.25 -0.26 4.02 0.04 -1.26 -1.66 135.00 139.63 1ogy s PRO 378 Ca -0.00 -1.35 -0.18 0.00 0.04 0.00 0.00 61.00 59.52 1ogy s PRO 378 Cb -0.05 -4.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 1ogy s PRO 378 CO -0.04 -1.69 0.50 0.12 0.04 0.00 0.00 177.00 175.93 1ogy s PHE 379 N 3.00 3.27 -0.22 0.56 5.36 0.26 -4.83 117.98 125.38 1ogy s PHE 379 Ca 0.21 0.62 -0.20 0.00 -0.96 0.00 0.00 56.93 56.60 1ogy s PHE 379 Cb -0.16 -2.70 -0.02 0.00 -0.34 0.00 0.00 43.02 39.81 1ogy s PHE 379 CO 0.02 -0.26 0.62 0.45 -1.46 0.00 0.00 175.22 174.59 1ogy s SER 380 N 1.52 6.62 0.13 6.13 0.15 -1.26 -2.98 113.70 124.01 1ogy s SER 380 Ca 0.21 0.76 -0.26 0.00 0.70 0.00 0.00 55.95 57.35 1ogy s SER 380 Cb -0.16 -2.34 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 1ogy s SER 380 CO 0.09 -0.31 0.80 -0.76 1.20 0.00 0.00 173.24 174.27 1ogy s LEU 381 N 2.15 4.55 -0.01 3.45 1.43 -0.76 -4.90 118.68 124.58 1ogy s LEU 381 Ca 0.27 1.62 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1ogy s LEU 381 Cb -0.16 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1ogy s LEU 381 CO 0.09 0.12 0.06 -0.89 0.23 0.00 0.00 176.35 175.97 1ogy s THR 382 N -0.70 4.60 0.00 5.49 2.01 -1.26 -4.66 115.64 121.12 1ogy s THR 382 Ca 0.38 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ogy s THR 382 Cb -0.23 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1ogy s THR 382 CO 0.26 0.37 0.10 0.61 -0.69 0.00 0.00 174.62 175.27 1ogy n GLY 383 N 1.26 -0.73 3.68 4.40 0.00 -1.26 -3.84 105.19 108.71 1ogy n GLY 383 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1ogy n GLY 383 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogy s GLN 384 N -1.18 1.07 0.26 1.61 -0.21 -1.26 0.92 119.66 120.87 1ogy s GLN 384 Ca 0.00 1.08 -0.04 0.00 0.02 0.00 0.00 55.36 56.42 1ogy s GLN 384 Cb 0.00 -1.77 0.35 0.00 1.00 0.00 0.00 33.01 32.59 1ogy s GLN 384 CO 0.00 -2.45 1.92 -1.00 -2.12 0.00 0.00 175.29 171.64 1ogy h PRO 385 N -1.71 1.22 -0.52 2.91 0.13 -1.55 -3.29 132.00 129.19 1ogy h PRO 385 Ca -0.48 -0.07 -0.32 0.00 -0.87 0.00 0.00 66.00 64.26 1ogy h PRO 385 Cb 1.28 -0.28 -0.41 0.00 0.13 0.00 0.00 31.00 31.72 1ogy h PRO 385 CO 0.50 0.81 -1.05 1.97 -0.23 0.00 0.00 178.00 180.00 1ogy n PHE 386 N -4.43 1.62 0.22 1.56 1.16 0.16 -3.49 117.46 114.26 1ogy n PHE 386 Ca 0.13 -2.17 0.08 0.00 -1.87 0.00 0.00 57.45 53.61 1ogy n PHE 386 Cb 0.09 -0.26 0.53 0.00 -1.61 0.00 0.00 39.48 38.23 1ogy n PHE 386 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ogy h ALA 387 N 2.52 1.31 0.00 1.98 0.00 -1.55 0.17 119.26 123.68 1ogy h ALA 387 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ogy h ALA 387 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ogy h ALA 387 CO 0.32 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1ogy h GLY 389 N -0.11 0.78 0.00 0.00 0.00 -1.53 0.95 103.07 103.16 1ogy h GLY 389 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ogy h GLY 389 CO 0.00 -0.13 0.00 2.41 0.00 0.00 0.00 176.54 178.82 1ogy n THR 390 N -4.46 0.00 -0.23 4.70 -1.04 0.04 -4.10 114.28 109.18 1ogy n THR 390 Ca 0.28 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.22 1ogy n THR 390 Cb 1.12 -0.71 -0.06 0.00 -1.82 0.00 0.00 70.33 68.86 1ogy n THR 390 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ogy h ALA 391 N -0.89 -0.33 0.59 2.41 0.00 -1.54 0.22 119.26 119.72 1ogy h ALA 391 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ogy h ALA 391 Cb 0.00 1.21 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ogy h ALA 391 CO 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 179.25 178.40 1ogy h ARG 392 N -0.01 -0.76 -0.42 0.00 3.08 -0.39 0.32 114.38 116.20 1ogy h ARG 392 Ca 0.09 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1ogy h ARG 392 Cb 0.24 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1ogy h ARG 392 CO -0.53 -0.51 0.24 0.93 -1.07 0.00 0.00 179.97 179.02 1ogy h GLU 393 N -1.09 0.58 0.00 0.04 5.08 -0.73 -1.31 114.58 117.15 1ogy h GLU 393 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ogy h GLU 393 Cb 0.61 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ogy h GLU 393 CO 0.13 0.46 0.00 0.28 -1.00 0.00 0.00 179.01 178.88 1ogy h VAL 394 N 0.55 0.00 -3.85 3.13 2.07 -0.71 -2.94 116.25 114.50 1ogy h VAL 394 Ca 0.15 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ogy h VAL 394 Cb 0.04 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1ogy h VAL 394 CO -0.02 0.00 -0.13 0.61 0.02 0.00 0.00 177.57 178.04 1ogy n GLY 395 N 0.64 -0.85 2.03 2.17 0.00 -0.49 -3.24 105.19 105.46 1ogy n GLY 395 Ca 0.03 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1ogy n GLY 395 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ogy n THR 396 N -0.66 2.85 -4.33 2.61 -1.04 0.10 -4.34 114.28 109.48 1ogy n THR 396 Ca 0.03 -3.72 -0.29 0.00 -2.04 0.00 0.00 64.05 58.03 1ogy n THR 396 Cb 0.26 -1.08 -0.11 0.00 -1.82 0.00 0.00 70.33 67.58 1ogy n THR 396 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ogy s PHE 397 N -3.64 2.48 0.44 -1.42 0.40 -1.24 -2.66 117.98 112.35 1ogy s PHE 397 Ca 0.55 -0.29 0.33 0.00 -0.60 0.00 0.00 56.93 56.92 1ogy s PHE 397 Cb 0.44 -1.31 1.48 0.00 0.51 0.00 0.00 43.02 44.15 1ogy s PHE 397 CO 0.02 0.40 1.53 0.00 0.70 0.00 0.00 175.22 177.87 1ogy n ALA 398 N 0.71 1.39 -0.41 5.36 0.00 0.13 -0.97 120.51 126.73 1ogy n ALA 398 Ca -0.15 0.83 0.07 0.00 0.00 0.00 0.00 53.44 54.19 1ogy n ALA 398 Cb 0.53 -1.05 0.22 0.00 0.00 0.00 0.00 19.45 19.15 1ogy n ALA 398 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ogy n HIS 399 N -4.60 0.73 -4.47 0.00 1.44 -1.26 -2.14 115.22 104.92 1ogy n HIS 399 Ca 0.40 -0.58 -0.24 0.00 -2.01 0.00 0.00 57.72 55.28 1ogy n HIS 399 Cb 1.58 -0.11 -0.10 0.00 0.12 0.00 0.00 29.99 31.48 1ogy n HIS 399 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1ogy s ARG 400 N -1.45 1.68 0.30 -1.40 3.52 -0.14 -2.30 118.95 119.16 1ogy s ARG 400 Ca 0.33 -1.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.17 1ogy s ARG 400 Cb 0.20 -1.72 -0.06 0.00 -1.56 0.00 0.00 34.95 31.82 1ogy s ARG 400 CO 0.17 0.29 0.08 -0.51 -0.81 0.00 0.00 175.30 174.52 1ogy s LEU 401 N -3.51 1.95 0.96 -0.88 1.43 0.22 -4.70 118.68 114.15 1ogy s LEU 401 Ca 0.30 -1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 1ogy s LEU 401 Cb -0.04 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.01 1ogy s LEU 401 CO 0.15 -0.68 0.32 -2.65 0.23 0.00 0.00 176.35 173.72 1ogy n PRO 402 N -0.61 -0.34 -4.09 1.29 -0.02 -1.20 -3.23 135.00 126.81 1ogy n PRO 402 Ca -0.01 -0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 1ogy n PRO 402 Cb 0.66 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.31 1ogy n PRO 402 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogy n ALA 403 N -3.58 -2.29 -0.95 3.55 0.00 -1.11 -1.70 120.51 114.42 1ogy n ALA 403 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ogy n ALA 403 Cb 0.54 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1ogy n ALA 403 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ogy n ASP 404 N -2.62 -4.13 -4.82 0.00 8.00 -1.25 -4.99 116.55 106.74 1ogy n ASP 404 Ca -0.22 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.93 1ogy n ASP 404 Cb 0.63 -2.25 -0.06 0.00 -0.02 0.00 0.00 41.12 39.42 1ogy n ASP 404 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ogy s MET 405 N -1.16 4.25 0.08 -1.24 -1.94 -0.69 -4.94 119.30 113.66 1ogy s MET 405 Ca 0.00 0.92 0.03 0.00 -1.71 0.00 0.00 55.69 54.93 1ogy s MET 405 Cb 0.00 -2.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 1ogy s MET 405 CO 0.00 0.30 0.08 0.08 -0.01 0.00 0.00 175.02 175.46 1ogy s VAL 406 N -1.68 4.52 0.21 -6.03 1.01 -1.26 0.71 120.40 117.88 1ogy s VAL 406 Ca 0.48 -0.77 0.21 0.00 0.00 0.00 0.00 61.98 61.90 1ogy s VAL 406 Cb -0.15 -3.18 0.19 0.00 0.00 0.00 0.00 36.38 33.24 1ogy s VAL 406 CO 0.20 0.13 1.82 0.58 0.00 0.00 0.00 175.10 177.83 1ogy h VAL 407 N 2.58 0.76 0.84 2.92 2.07 -1.74 -3.23 116.25 120.45 1ogy h VAL 407 Ca -0.47 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 1ogy h VAL 407 Cb 1.16 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1ogy h VAL 407 CO 0.66 0.28 -0.40 0.74 0.02 0.00 0.00 177.57 178.87 1ogy h THR 408 N 0.00 0.00 -2.11 2.57 2.02 -1.81 -3.41 112.91 110.16 1ogy h THR 408 Ca -0.00 -0.16 -0.60 0.00 0.77 0.00 0.00 66.41 66.41 1ogy h THR 408 Cb 0.75 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1ogy h THR 408 CO 0.04 0.00 1.03 -3.20 0.37 0.00 0.00 175.52 173.76 1ogy n ASN 409 N -5.47 3.40 0.19 4.18 2.85 -1.22 -4.90 115.26 114.29 1ogy n ASN 409 Ca -0.14 1.00 0.05 0.00 -0.11 0.00 0.00 54.58 55.38 1ogy n ASN 409 Cb 0.44 -1.40 0.34 0.00 1.24 0.00 0.00 39.78 40.41 1ogy n ASN 409 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ogy h PRO 410 N 8.43 0.00 -0.36 1.20 0.11 -1.87 -2.46 132.00 137.04 1ogy h PRO 410 Ca -0.48 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1ogy h PRO 410 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ogy h PRO 410 CO 0.93 0.39 -0.35 0.93 -0.21 0.00 0.00 178.00 179.69 1ogy h GLU 411 N 0.00 0.88 0.19 1.05 4.39 -1.95 -1.93 114.58 117.20 1ogy h GLU 411 Ca -0.00 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1ogy h GLU 411 Cb 0.85 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1ogy h GLU 411 CO 0.05 1.11 -0.09 0.45 -1.16 0.00 0.00 179.01 179.37 1ogy h HIS 412 N 0.68 -0.24 -0.68 4.33 3.86 -1.83 -0.09 115.15 121.17 1ogy h HIS 412 Ca 0.06 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.41 1ogy h HIS 412 Cb 0.94 0.08 -0.11 0.00 1.06 0.00 0.00 27.41 29.38 1ogy h HIS 412 CO 0.07 0.08 0.05 -0.09 0.86 0.00 0.00 177.93 178.89 1ogy h ARG 413 N -0.57 0.15 0.09 2.45 2.43 -1.48 0.85 114.38 118.30 1ogy h ARG 413 Ca -0.03 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ogy h ARG 413 Cb 0.42 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ogy h ARG 413 CO 0.04 0.10 -0.04 0.00 -1.51 0.00 0.00 179.97 178.56 1ogy h ALA 414 N 1.61 -0.12 -0.85 2.80 0.00 -1.20 -0.74 119.26 120.76 1ogy h ALA 414 Ca 0.37 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.36 1ogy h ALA 414 Cb 0.62 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1ogy h ALA 414 CO -0.56 -0.54 0.45 1.25 0.00 0.00 0.00 179.25 179.85 1ogy h HIS 415 N -0.18 0.79 -0.54 0.00 -0.00 0.67 0.16 115.15 116.04 1ogy h HIS 415 Ca -0.01 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 1ogy h HIS 415 Cb 0.15 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1ogy h HIS 415 CO -0.05 0.21 -0.02 0.00 -0.00 0.00 0.00 177.93 178.07 1ogy h ALA 416 N 1.55 0.73 -0.72 5.26 0.00 -0.63 -2.49 119.26 122.96 1ogy h ALA 416 Ca 0.46 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ogy h ALA 416 Cb 0.62 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ogy h ALA 416 CO -0.34 0.57 0.23 0.93 0.00 0.00 0.00 179.25 180.64 1ogy h GLU 417 N 0.85 1.10 -0.69 0.00 5.08 0.49 -0.08 114.58 121.33 1ogy h GLU 417 Ca 0.15 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1ogy h GLU 417 Cb 0.56 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1ogy h GLU 417 CO 0.03 0.93 0.13 0.93 -1.00 0.00 0.00 179.01 180.04 1ogy h GLU 418 N 1.06 1.12 0.01 2.33 4.39 -0.53 -0.60 114.58 122.37 1ogy h GLU 418 Ca 0.23 -0.29 -0.27 0.00 0.34 0.00 0.00 59.36 59.38 1ogy h GLU 418 Cb 0.28 -0.14 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1ogy h GLU 418 CO -0.01 1.01 -1.07 0.82 -1.16 0.00 0.00 179.01 178.61 1ogy h ILE 419 N 1.06 1.28 0.00 3.13 2.04 -1.25 -3.18 117.51 120.59 1ogy h ILE 419 Ca 0.21 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1ogy h ILE 419 Cb 0.42 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1ogy h ILE 419 CO 0.01 0.70 0.00 0.79 0.00 0.00 0.00 178.15 179.65 1ogy n TRP 420 N -3.84 0.00 -3.58 1.37 8.01 -0.06 -4.90 117.44 114.44 1ogy n TRP 420 Ca -0.11 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.85 1ogy n TRP 420 Cb 0.89 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 30.22 1ogy n TRP 420 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ogy n LYS 421 N -0.66 -1.30 -4.42 -0.99 5.02 -0.92 -4.95 118.16 109.93 1ogy n LYS 421 Ca 0.07 0.75 -0.22 0.00 -2.02 0.00 0.00 58.31 56.89 1ogy n LYS 421 Cb 0.03 -4.02 -0.10 0.00 -0.02 0.00 0.00 35.03 30.92 1ogy n LYS 421 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ogy s LEU 422 N -5.60 2.58 0.18 -0.35 1.43 -0.28 -5.05 118.68 111.59 1ogy s LEU 422 Ca 0.26 -1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 1ogy s LEU 422 Cb -0.10 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.15 1ogy s LEU 422 CO 0.85 -0.08 1.20 -2.16 0.23 0.00 0.00 176.35 176.39 1ogy s PRO 423 N -3.58 4.49 0.41 1.29 0.04 -1.26 -4.72 135.00 131.67 1ogy s PRO 423 Ca 0.27 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 1ogy s PRO 423 Cb -0.02 -3.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.16 1ogy s PRO 423 CO 0.12 -0.09 0.73 0.00 0.04 0.00 0.00 177.00 177.80 1ogy n ALA 424 N 2.52 -0.89 -1.16 8.56 0.00 -1.26 -2.03 120.51 126.24 1ogy n ALA 424 Ca 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 1ogy n ALA 424 Cb 0.45 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 1ogy n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogy n GLY 425 N 1.55 0.73 0.07 0.00 0.00 -1.26 -4.90 105.19 101.38 1ogy n GLY 425 Ca 0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1ogy n GLY 425 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ogy h LEU 426 N 0.00 -0.01 -9.77 0.99 5.85 -1.79 -3.46 115.31 107.11 1ogy h LEU 426 Ca -0.12 -0.79 -0.56 0.00 0.84 0.00 0.00 57.88 57.25 1ogy h LEU 426 Cb 0.67 0.00 0.10 0.00 0.37 0.00 0.00 40.66 41.80 1ogy h LEU 426 CO 0.17 0.84 0.66 0.18 -0.34 0.00 0.00 178.44 179.96 1ogy n LEU 427 N -4.68 3.92 -4.77 2.25 4.32 -1.26 -4.96 117.00 111.82 1ogy n LEU 427 Ca -0.09 1.19 -0.38 0.00 -0.02 0.00 0.00 56.01 56.72 1ogy n LEU 427 Cb 0.39 -1.53 -0.01 0.00 -1.62 0.00 0.00 43.42 40.65 1ogy n LEU 427 CO 0.30 -0.21 0.84 -2.84 -1.22 0.00 0.00 177.39 174.26 1ogy s PRO 428 N -1.39 3.84 0.00 3.23 0.02 -1.26 -5.00 135.00 134.44 1ogy s PRO 428 Ca 0.59 1.82 0.22 0.00 0.02 0.00 0.00 61.00 63.65 1ogy s PRO 428 Cb -0.55 -2.50 -0.22 0.00 0.02 0.00 0.00 34.50 31.25 1ogy s PRO 428 CO 0.58 -0.49 0.74 -0.40 -0.33 0.00 0.00 177.00 177.09 1ogy n ASP 429 N -0.30 0.47 -4.76 2.53 5.75 -1.26 -4.85 116.55 114.13 1ogy n ASP 429 Ca 0.06 -0.37 -0.40 0.00 -0.01 0.00 0.00 54.79 54.08 1ogy n ASP 429 Cb 0.47 1.39 -0.05 0.00 -1.03 0.00 0.00 41.12 41.90 1ogy n ASP 429 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1ogy s TRP 430 N -3.28 3.76 0.09 2.11 1.48 -1.26 -4.27 118.94 117.57 1ogy s TRP 430 Ca -0.00 1.80 -0.30 0.00 -1.06 0.00 0.00 56.10 56.53 1ogy s TRP 430 Cb 0.15 -3.14 -0.06 0.00 -1.16 0.00 0.00 33.47 29.26 1ogy s TRP 430 CO 0.87 -0.09 1.11 0.08 -4.06 0.00 0.00 176.95 174.86 1ogy s VAL 431 N -1.19 4.16 1.13 -0.66 1.01 -1.26 -4.65 120.40 118.93 1ogy s VAL 431 Ca 0.43 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.89 1ogy s VAL 431 Cb -0.29 -4.06 0.27 0.00 0.00 0.00 0.00 36.38 32.30 1ogy s VAL 431 CO 0.36 0.19 1.22 0.61 0.00 0.00 0.00 175.10 177.48 1ogy n GLY 432 N 2.68 -2.19 3.67 4.51 0.00 -0.91 -4.98 105.19 107.98 1ogy n GLY 432 Ca 0.06 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1ogy n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s ALA 433 N -3.46 3.55 0.77 4.61 0.00 -1.26 -4.79 121.76 121.18 1ogy s ALA 433 Ca 0.74 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1ogy s ALA 433 Cb -0.05 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.80 1ogy s ALA 433 CO 0.54 -0.76 1.09 -3.38 0.00 0.00 0.00 175.76 173.25 1ogy s HIS 434 N 2.44 2.92 0.07 0.00 -3.43 -1.26 -4.44 115.29 111.60 1ogy s HIS 434 Ca 0.40 1.19 -0.14 0.00 -0.80 0.00 0.00 55.06 55.71 1ogy s HIS 434 Cb -0.16 -3.07 -0.03 0.00 -1.43 0.00 0.00 32.58 27.88 1ogy s HIS 434 CO 0.11 -1.63 0.97 0.00 -2.00 0.00 0.00 174.74 172.19 1ogy n ALA 435 N -3.34 -0.29 0.28 -1.38 0.00 -1.26 0.99 120.51 115.50 1ogy n ALA 435 Ca 0.07 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 1ogy n ALA 435 Cb 0.56 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 1ogy n ALA 435 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ogy h VAL 436 N 0.00 0.17 -0.64 0.00 2.07 -1.92 -2.33 116.25 113.60 1ogy h VAL 436 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.72 1ogy h VAL 436 Cb 0.19 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 1ogy h VAL 436 CO -0.43 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 176.86 1ogy h GLU 437 N -0.88 -0.06 -1.04 1.57 4.81 -1.43 0.43 114.58 117.98 1ogy h GLU 437 Ca -0.05 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.48 1ogy h GLU 437 Cb 0.77 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.03 1ogy h GLU 437 CO -0.03 -0.04 0.62 0.37 -0.73 0.00 0.00 179.01 179.20 1ogy h GLN 438 N -0.06 0.40 -0.08 1.92 4.15 0.12 0.71 115.11 122.27 1ogy h GLN 438 Ca 0.29 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1ogy h GLN 438 Cb 0.52 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1ogy h GLN 438 CO -0.69 0.27 -0.07 -0.44 -1.93 0.00 0.00 178.83 175.97 1ogy h ASP 439 N 0.41 0.19 0.83 -0.69 3.32 -0.54 -2.68 116.42 117.27 1ogy h ASP 439 Ca 0.68 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1ogy h ASP 439 Cb 1.55 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 41.05 1ogy h ASP 439 CO -0.48 0.62 -0.40 0.03 -1.72 0.00 0.00 179.24 177.29 1ogy h ARG 440 N -0.23 -1.07 -0.22 3.56 3.08 0.24 -0.51 114.38 119.22 1ogy h ARG 440 Ca 0.01 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1ogy h ARG 440 Cb 0.56 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1ogy h ARG 440 CO 0.02 -0.71 0.49 0.87 -1.07 0.00 0.00 179.97 179.57 1ogy h LYS 441 N -1.12 0.00 0.25 0.04 1.57 0.11 0.69 116.57 118.09 1ogy h LYS 441 Ca -0.11 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.33 1ogy h LYS 441 Cb 0.85 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.20 1ogy h LYS 441 CO 0.19 0.00 -1.46 1.25 -0.57 0.00 0.00 179.45 178.85 1ogy h LEU 442 N 0.00 0.85 -0.58 2.94 5.85 -0.93 0.31 115.31 123.75 1ogy h LEU 442 Ca 0.11 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.91 1ogy h LEU 442 Cb 1.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1ogy h LEU 442 CO -0.00 1.70 0.30 -0.74 -0.34 0.00 0.00 178.44 179.36 1ogy h HIS 443 N 0.16 0.82 -0.00 1.25 2.76 0.19 -3.10 115.15 117.23 1ogy h HIS 443 Ca -0.25 -0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.67 1ogy h HIS 443 Cb 2.15 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.86 1ogy h HIS 443 CO 0.13 0.61 -0.93 -0.44 -1.30 0.00 0.00 177.93 176.00 1ogy h ASP 444 N 0.79 0.49 0.00 3.26 3.32 -1.12 -3.44 116.42 119.71 1ogy h ASP 444 Ca 0.20 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ogy h ASP 444 Cb 0.08 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ogy h ASP 444 CO -0.03 1.19 0.00 0.61 -1.72 0.00 0.00 179.24 179.29 1ogy n GLY 445 N 0.92 1.48 0.12 2.75 0.00 -0.44 -5.02 105.19 105.00 1ogy n GLY 445 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1ogy n GLY 445 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ogy h GLU 446 N 0.76 0.35 -4.94 1.61 4.39 -0.72 -3.42 114.58 112.60 1ogy h GLU 446 Ca 0.00 -0.59 -0.65 0.00 0.34 0.00 0.00 59.36 58.46 1ogy h GLU 446 Cb 0.00 0.22 -0.24 0.00 -0.10 0.00 0.00 28.75 28.63 1ogy h GLU 446 CO 0.00 1.28 -0.64 0.42 -1.16 0.00 0.00 179.01 178.91 1ogy s ILE 447 N -2.64 4.11 -0.39 3.13 1.01 -1.08 -4.15 121.20 121.20 1ogy s ILE 447 Ca -0.05 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1ogy s ILE 447 Cb 0.06 -2.93 -0.10 0.00 0.01 0.00 0.00 42.46 39.50 1ogy s ILE 447 CO 0.90 0.33 0.36 0.59 0.00 0.00 0.00 174.94 177.13 1ogy n ASN 448 N 4.90 0.65 -4.11 3.58 5.03 0.20 -4.63 115.26 120.88 1ogy n ASN 448 Ca -0.16 -0.65 -0.28 0.00 0.87 0.00 0.00 54.58 54.36 1ogy n ASN 448 Cb 0.51 1.04 -0.17 0.00 -1.02 0.00 0.00 39.78 40.14 1ogy n ASN 448 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1ogy s PHE 449 N -1.92 1.90 -0.03 3.10 5.36 -1.06 -0.99 117.98 124.34 1ogy s PHE 449 Ca 0.03 -0.73 -0.00 0.00 -0.96 0.00 0.00 56.93 55.27 1ogy s PHE 449 Cb 0.07 -1.32 0.03 0.00 -0.34 0.00 0.00 43.02 41.46 1ogy s PHE 449 CO 0.37 -0.32 0.02 -0.47 -1.46 0.00 0.00 175.22 173.36 1ogy s TYR 450 N 0.49 0.13 -0.26 10.12 5.04 -0.52 -1.38 117.35 130.96 1ogy s TYR 450 Ca -0.15 0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.60 1ogy s TYR 450 Cb -0.16 -0.32 0.06 0.00 0.35 0.00 0.00 41.96 41.89 1ogy s TYR 450 CO 0.06 -0.11 -0.10 -0.46 -1.34 0.00 0.00 175.55 173.59 1ogy s TRP 451 N 1.15 3.24 -0.09 4.97 -0.11 -0.30 -0.20 118.94 127.60 1ogy s TRP 451 Ca -0.08 -2.25 -0.13 0.00 1.22 0.00 0.00 56.10 54.87 1ogy s TRP 451 Cb -0.13 -1.95 -0.05 0.00 -1.50 0.00 0.00 33.47 29.84 1ogy s TRP 451 CO -0.03 -0.87 0.30 0.08 -4.62 0.00 0.00 176.95 171.82 1ogy s VAL 452 N 1.13 5.25 -0.03 5.86 1.01 0.57 -1.27 120.40 132.92 1ogy s VAL 452 Ca -0.08 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1ogy s VAL 452 Cb -0.20 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1ogy s VAL 452 CO -0.05 0.51 0.06 -1.10 0.00 0.00 0.00 175.10 174.52 1ogy s GLN 453 N -0.43 0.00 -1.46 2.72 -0.21 -0.46 -1.84 119.66 117.99 1ogy s GLN 453 Ca 0.19 0.24 -0.07 0.00 0.02 0.00 0.00 55.36 55.74 1ogy s GLN 453 Cb -0.14 -0.22 0.05 0.00 1.00 0.00 0.00 33.01 33.70 1ogy s GLN 453 CO 0.07 -0.16 0.72 0.28 -2.12 0.00 0.00 175.29 174.09 1ogy n VAL 454 N 4.15 -2.83 -3.59 1.09 0.31 -1.24 -3.80 118.33 112.42 1ogy n VAL 454 Ca -0.27 -0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 1ogy n VAL 454 Cb 0.51 -2.88 -0.02 0.00 -0.91 0.00 0.00 33.84 30.54 1ogy n VAL 454 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ogy s ASN 455 N -3.88 -0.44 -0.47 4.52 4.22 -1.26 -4.56 114.94 113.07 1ogy s ASN 455 Ca 0.32 -0.24 0.08 0.00 -2.14 0.00 0.00 52.86 50.88 1ogy s ASN 455 Cb -0.16 0.63 0.36 0.00 1.28 0.00 0.00 41.25 43.36 1ogy s ASN 455 CO 0.86 -1.08 0.90 -3.20 -2.04 0.00 0.00 177.10 172.53 1ogy n ASN 456 N -0.39 3.03 0.29 3.54 2.85 -1.26 -4.94 115.26 118.39 1ogy n ASN 456 Ca -0.12 -3.38 0.18 0.00 -0.11 0.00 0.00 54.58 51.14 1ogy n ASN 456 Cb 0.63 -0.56 0.92 0.00 1.24 0.00 0.00 39.78 42.00 1ogy n ASN 456 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1ogy h ASN 457 N 2.94 0.00 0.44 1.20 -0.00 -1.97 -0.07 115.58 118.12 1ogy h ASN 457 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1ogy h ASN 457 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.09 1ogy h ASN 457 CO 0.69 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.92 1ogy n MET 458 N -3.17 0.12 -0.05 6.67 1.56 -1.26 -0.80 117.12 120.19 1ogy n MET 458 Ca -0.01 0.44 -0.06 0.00 -0.27 0.00 0.00 57.70 57.80 1ogy n MET 458 Cb 0.31 -1.77 -0.05 0.00 2.15 0.00 0.00 33.22 33.87 1ogy n MET 458 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1ogy n GLN 459 N -2.00 0.63 -0.06 2.12 7.27 -0.10 -4.71 117.38 120.53 1ogy n GLN 459 Ca 0.01 0.05 -0.14 0.00 0.07 0.00 0.00 57.00 56.99 1ogy n GLN 459 Cb 0.15 -1.20 -0.06 0.00 2.41 0.00 0.00 30.24 31.54 1ogy n GLN 459 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ogy h ALA 460 N 0.06 0.29 -2.96 1.69 0.00 -1.25 -3.43 119.26 113.66 1ogy h ALA 460 Ca -0.22 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.74 1ogy h ALA 460 Cb 1.37 -0.05 0.13 0.00 0.00 0.00 0.00 17.79 19.23 1ogy h ALA 460 CO -0.03 0.30 0.52 0.00 0.00 0.00 0.00 179.25 180.04 1ogy s ALA 461 N -4.14 2.57 0.38 0.00 0.00 0.02 -5.01 121.76 115.59 1ogy s ALA 461 Ca -0.13 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1ogy s ALA 461 Cb 0.07 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1ogy s ALA 461 CO 0.80 -1.33 0.98 -1.25 0.00 0.00 0.00 175.76 174.97 1ogy s PRO 462 N -3.22 4.32 -1.46 0.00 0.04 -1.26 -4.16 135.00 129.25 1ogy s PRO 462 Ca 0.77 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 1ogy s PRO 462 Cb -0.35 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.73 1ogy s PRO 462 CO 0.38 0.03 0.82 -1.71 0.04 0.00 0.00 177.00 176.56 1ogy n ASN 463 N -0.04 -5.13 -0.33 6.66 2.85 -0.04 -4.74 115.26 114.50 1ogy n ASN 463 Ca 0.05 -0.54 0.27 0.00 -0.11 0.00 0.00 54.58 54.24 1ogy n ASN 463 Cb 0.51 -4.12 0.51 0.00 1.24 0.00 0.00 39.78 37.92 1ogy n ASN 463 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1ogy h ILE 464 N -1.77 0.09 -0.37 -1.44 3.07 -1.60 0.18 117.51 115.67 1ogy h ILE 464 Ca -0.53 -0.03 -0.11 0.00 1.55 0.00 0.00 64.86 65.74 1ogy h ILE 464 Cb 1.35 -0.01 -0.01 0.00 -0.27 0.00 0.00 36.82 37.88 1ogy h ILE 464 CO 0.60 0.02 -0.23 -0.78 -1.05 0.00 0.00 178.15 176.71 1ogy h ASP 465 N 0.09 0.73 0.21 2.16 3.58 -1.84 0.32 116.42 121.67 1ogy h ASP 465 Ca 0.78 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.96 1ogy h ASP 465 Cb 1.94 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.79 1ogy h ASP 465 CO -0.75 0.94 -0.10 -0.61 -2.88 0.00 0.00 179.24 175.85 1ogy h GLN 466 N 0.63 -0.27 0.00 0.28 4.15 -1.31 -3.42 115.11 115.18 1ogy h GLN 466 Ca 0.09 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1ogy h GLN 466 Cb 0.72 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1ogy h GLN 466 CO 0.06 0.12 -0.24 0.39 -1.93 0.00 0.00 178.83 177.23 1ogy n GLU 467 N -4.97 3.76 -0.06 1.69 1.02 -1.01 -4.76 120.64 116.31 1ogy n GLU 467 Ca -0.08 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.84 1ogy n GLU 467 Cb 0.26 -0.51 -0.12 0.00 -0.02 0.00 0.00 31.44 31.04 1ogy n GLU 467 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ogy n THR 468 N -0.80 1.64 0.13 2.62 -1.04 -0.79 -3.47 114.28 112.57 1ogy n THR 468 Ca 0.00 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 61.50 1ogy n THR 468 Cb 0.00 -1.84 -0.08 0.00 -1.82 0.00 0.00 70.33 66.59 1ogy n THR 468 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1ogy h TYR 469 N -0.46 -0.27 -0.33 -1.42 3.20 -0.67 -1.81 116.97 115.21 1ogy h TYR 469 Ca -0.44 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 1ogy h TYR 469 Cb 1.70 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 40.04 1ogy h TYR 469 CO 0.07 -0.05 0.20 -1.00 -1.64 0.00 0.00 178.16 175.74 1ogy h PRO 470 N -0.45 0.44 -0.14 1.82 0.13 -1.78 -1.17 132.00 130.85 1ogy h PRO 470 Ca -0.03 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1ogy h PRO 470 Cb 0.34 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1ogy h PRO 470 CO 0.05 0.30 -0.27 0.78 -0.23 0.00 0.00 178.00 178.63 1ogy h GLY 471 N 0.48 0.27 1.85 1.56 0.00 -1.53 0.29 103.07 105.98 1ogy h GLY 471 Ca 0.12 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.04 1ogy h GLY 471 CO -0.02 0.19 -0.99 -0.97 0.00 0.00 0.00 176.54 174.75 1ogy h TYR 472 N 0.23 0.00 -0.16 5.60 -1.99 -0.44 -3.30 116.97 116.91 1ogy h TYR 472 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1ogy h TYR 472 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1ogy h TYR 472 CO 0.01 0.88 0.00 0.54 -0.00 0.00 0.00 178.16 179.59 1ogy n ARG 473 N -3.27 2.14 -1.75 4.88 5.12 -0.53 -4.81 116.66 118.44 1ogy n ARG 473 Ca -0.02 -1.69 -0.43 0.00 -1.93 0.00 0.00 57.85 53.78 1ogy n ARG 473 Cb 0.91 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.71 1ogy n ARG 473 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1ogy s ASN 474 N -1.76 5.94 0.21 0.55 3.04 0.07 -4.85 114.94 118.14 1ogy s ASN 474 Ca 0.34 2.03 0.10 0.00 0.04 0.00 0.00 52.86 55.36 1ogy s ASN 474 Cb 0.21 -2.52 0.53 0.00 -1.54 0.00 0.00 41.25 37.92 1ogy s ASN 474 CO 0.30 -1.55 1.19 -2.65 -3.04 0.00 0.00 177.10 171.36 1ogy n PRO 475 N 8.18 0.07 -0.02 0.43 -0.02 -1.26 0.41 135.00 142.78 1ogy n PRO 475 Ca 0.24 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 1ogy n PRO 475 Cb 0.44 -1.91 0.51 0.00 -0.02 0.00 0.00 33.50 32.52 1ogy n PRO 475 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ogy n GLU 476 N -1.83 1.65 -4.41 -0.52 -0.58 -1.26 -4.86 120.64 108.82 1ogy n GLU 476 Ca -0.01 -0.94 -0.31 0.00 -0.42 0.00 0.00 57.16 55.48 1ogy n GLU 476 Cb 0.21 -1.46 -0.11 0.00 -0.57 0.00 0.00 31.44 29.51 1ogy n GLU 476 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ogy s ASN 477 N -1.90 4.22 -0.10 1.62 0.02 0.17 -4.78 114.94 114.19 1ogy s ASN 477 Ca 0.37 -0.36 0.04 0.00 -1.02 0.00 0.00 52.86 51.89 1ogy s ASN 477 Cb 0.20 -0.80 0.00 0.00 0.02 0.00 0.00 41.25 40.68 1ogy s ASN 477 CO 0.32 0.22 -0.23 0.12 0.02 0.00 0.00 177.10 177.55 1ogy s PHE 478 N -1.08 2.52 -0.11 2.20 5.36 -0.16 -4.83 117.98 121.88 1ogy s PHE 478 Ca 0.18 -1.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.12 1ogy s PHE 478 Cb -0.11 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 1ogy s PHE 478 CO 0.10 -0.42 -0.13 0.42 -1.46 0.00 0.00 175.22 173.73 1ogy s ILE 479 N 0.38 1.34 -0.08 3.12 1.01 -1.26 -1.43 121.20 124.27 1ogy s ILE 479 Ca -0.18 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1ogy s ILE 479 Cb -0.18 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1ogy s ILE 479 CO 0.08 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.75 1ogy s VAL 480 N 1.24 4.29 -0.19 2.92 1.01 0.72 -0.49 120.40 129.89 1ogy s VAL 480 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ogy s VAL 480 Cb -0.14 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1ogy s VAL 480 CO -0.05 0.59 0.04 -0.69 0.00 0.00 0.00 175.10 175.00 1ogy s VAL 481 N -0.89 0.43 -0.02 2.92 1.01 0.40 -0.31 120.40 123.93 1ogy s VAL 481 Ca 0.14 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1ogy s VAL 481 Cb -0.11 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1ogy s VAL 481 CO 0.03 -0.23 0.60 -0.44 0.00 0.00 0.00 175.10 175.06 1ogy s SER 482 N 1.90 6.95 0.31 3.32 0.01 -0.77 -1.55 113.70 123.87 1ogy s SER 482 Ca -0.00 1.14 -0.18 0.00 1.31 0.00 0.00 55.95 58.21 1ogy s SER 482 Cb -0.17 -2.36 0.06 0.00 0.21 0.00 0.00 66.02 63.76 1ogy s SER 482 CO -0.08 0.06 0.88 -0.62 0.41 0.00 0.00 173.24 173.89 1ogy s ASP 483 N 0.01 -0.01 -0.00 2.44 -1.08 -0.61 -3.61 116.67 113.80 1ogy s ASP 483 Ca 0.31 -0.95 0.05 0.00 -0.52 0.00 0.00 52.55 51.44 1ogy s ASP 483 Cb -0.18 0.72 -0.05 0.00 -1.46 0.00 0.00 42.92 41.95 1ogy s ASP 483 CO 0.17 -1.42 0.19 0.00 0.52 0.00 0.00 175.17 174.63 1ogy n ALA 484 N -0.59 2.60 -2.55 3.66 0.00 -1.26 -0.59 120.51 121.78 1ogy n ALA 484 Ca -0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1ogy n ALA 484 Cb 0.60 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1ogy n ALA 484 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ogy s TYR 485 N -1.44 0.22 0.00 0.00 4.12 -1.26 -2.53 117.35 116.47 1ogy s TYR 485 Ca 0.02 -0.62 0.00 0.00 0.02 0.00 0.00 57.07 56.49 1ogy s TYR 485 Cb 0.03 -0.14 0.00 0.00 -1.52 0.00 0.00 41.96 40.33 1ogy s TYR 485 CO 0.19 -0.45 0.02 -2.30 0.02 0.00 0.00 175.55 173.03 1ogy n PRO 486 N 0.28 0.00 -0.17 -1.71 -0.02 -1.26 -4.93 135.00 127.19 1ogy n PRO 486 Ca -0.16 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1ogy n PRO 486 Cb 0.61 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 1ogy n PRO 486 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ogy n THR 487 N -0.08 -1.47 -0.17 3.45 -1.04 -1.26 -4.19 114.28 109.52 1ogy n THR 487 Ca 0.00 0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 62.18 1ogy n THR 487 Cb 0.00 -0.40 0.01 0.00 -1.82 0.00 0.00 70.33 68.11 1ogy n THR 487 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ogy h VAL 488 N 0.19 1.25 -0.78 12.58 3.04 -1.95 -2.19 116.25 128.38 1ogy h VAL 488 Ca 0.00 -0.98 0.15 0.00 -1.01 0.00 0.00 66.70 64.86 1ogy h VAL 488 Cb 0.00 0.92 -0.10 0.00 -2.01 0.00 0.00 31.29 30.10 1ogy h VAL 488 CO 0.00 0.35 0.33 0.74 -1.01 0.00 0.00 177.57 177.98 1ogy h THR 489 N 0.72 0.66 -0.49 3.17 2.02 -1.87 0.18 112.91 117.29 1ogy h THR 489 Ca 0.15 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 1ogy h THR 489 Cb 0.44 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1ogy h THR 489 CO 0.01 0.09 -0.19 1.23 0.37 0.00 0.00 175.52 177.03 1ogy h GLY 490 N 0.47 1.07 1.53 2.16 0.00 -1.67 -2.04 103.07 104.60 1ogy h GLY 490 Ca 0.43 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1ogy h GLY 490 CO -0.41 0.84 0.28 -0.09 0.00 0.00 0.00 176.54 177.17 1ogy h ARG 491 N 0.86 0.63 -0.63 4.80 2.43 -0.31 0.22 114.38 122.38 1ogy h ARG 491 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ogy h ARG 491 Cb 0.76 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1ogy h ARG 491 CO 0.06 0.44 0.00 0.00 -1.51 0.00 0.00 179.97 178.96 1ogy n ALA 492 N -2.46 2.89 -3.60 2.80 0.00 0.43 -4.92 120.51 115.64 1ogy n ALA 492 Ca 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 1ogy n ALA 492 Cb 0.08 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ogy n ALA 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy n ALA 493 N 0.39 0.15 -0.02 0.00 0.00 0.06 -4.65 120.51 116.44 1ogy n ALA 493 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1ogy n ALA 493 Cb 0.55 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1ogy n ALA 493 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ogy n ASP 494 N -1.92 3.79 -3.85 0.00 8.00 0.36 -4.97 116.55 117.96 1ogy n ASP 494 Ca -0.01 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.27 1ogy n ASP 494 Cb 0.11 0.48 -0.17 0.00 -0.02 0.00 0.00 41.12 41.52 1ogy n ASP 494 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ogy s LEU 495 N -4.53 1.03 -0.24 0.64 2.96 -0.58 -2.64 118.68 115.32 1ogy s LEU 495 Ca -0.03 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1ogy s LEU 495 Cb 0.02 -0.48 0.04 0.00 0.50 0.00 0.00 46.19 46.26 1ogy s LEU 495 CO 0.18 -0.11 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.31 1ogy s VAL 496 N 1.39 2.47 -0.18 1.68 1.01 -0.88 -0.46 120.40 125.44 1ogy s VAL 496 Ca -0.04 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 1ogy s VAL 496 Cb -0.13 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1ogy s VAL 496 CO -0.03 0.15 0.18 -0.76 0.00 0.00 0.00 175.10 174.64 1ogy s LEU 497 N 1.23 4.25 0.16 3.92 1.43 -0.60 -1.55 118.68 127.51 1ogy s LEU 497 Ca -0.03 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 1ogy s LEU 497 Cb -0.17 -2.17 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 1ogy s LEU 497 CO -0.06 0.19 1.27 -2.16 0.23 0.00 0.00 176.35 175.82 1ogy s PRO 498 N 0.18 4.41 0.07 1.29 0.04 -1.26 -1.57 135.00 138.16 1ogy s PRO 498 Ca 0.11 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1ogy s PRO 498 Cb -0.12 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1ogy s PRO 498 CO 0.01 -0.24 -0.17 0.00 0.04 0.00 0.00 177.00 176.64 1ogy s ALA 499 N 0.40 2.66 -0.00 8.56 0.00 0.24 -2.79 121.76 130.82 1ogy s ALA 499 Ca 0.57 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 1ogy s ALA 499 Cb -0.34 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1ogy s ALA 499 CO 0.35 0.59 0.87 0.00 0.00 0.00 0.00 175.76 177.57 1ogy s ALA 500 N -1.02 3.24 0.31 0.00 0.00 -0.77 -4.61 121.76 118.91 1ogy s ALA 500 Ca 0.16 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.59 1ogy s ALA 500 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1ogy s ALA 500 CO 0.08 -0.14 0.38 1.41 0.00 0.00 0.00 175.76 177.48 1ogy s MET 501 N 0.75 3.06 0.00 0.00 1.75 -1.26 -4.50 119.30 119.10 1ogy s MET 501 Ca 0.46 -1.04 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 1ogy s MET 501 Cb -0.20 -2.72 0.00 0.00 2.84 0.00 0.00 34.83 34.75 1ogy s MET 501 CO 0.25 0.18 0.00 1.87 -0.65 0.00 0.00 175.02 176.66 1ogy n TRP 502 N -1.48 0.00 1.52 4.11 -0.00 -1.26 0.81 117.44 121.14 1ogy n TRP 502 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.53 1ogy n TRP 502 Cb 0.58 0.00 0.27 0.00 -0.00 0.00 0.00 31.31 32.16 1ogy n TRP 502 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ogy n VAL 503 N 0.00 0.17 1.40 5.87 0.31 -1.26 -3.23 118.33 121.59 1ogy n VAL 503 Ca 0.00 -0.21 0.13 0.00 -0.01 0.00 0.00 64.34 64.25 1ogy n VAL 503 Cb 0.00 0.08 0.48 0.00 -0.91 0.00 0.00 33.84 33.49 1ogy n VAL 503 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ogy n GLU 504 N -0.11 1.67 -3.79 5.55 1.02 0.24 -1.38 120.64 123.84 1ogy n GLU 504 Ca 0.10 -0.99 -0.13 0.00 -0.02 0.00 0.00 57.16 56.12 1ogy n GLU 504 Cb 0.17 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 1ogy n GLU 504 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1ogy s LYS 505 N -1.92 0.39 0.22 3.49 -2.85 -1.20 -4.46 119.74 113.41 1ogy s LYS 505 Ca 0.36 0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 55.19 1ogy s LYS 505 Cb 0.20 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 1ogy s LYS 505 CO 0.31 -0.07 1.15 -2.00 0.10 0.00 0.00 175.35 174.84 1ogy s GLU 506 N -0.32 4.55 0.32 1.78 2.12 -1.26 -4.46 118.70 121.43 1ogy s GLU 506 Ca -0.04 1.84 -0.07 0.00 0.36 0.00 0.00 54.97 57.06 1ogy s GLU 506 Cb -0.03 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.16 1ogy s GLU 506 CO 0.01 0.04 0.54 0.41 -0.54 0.00 0.00 175.26 175.72 1ogy n GLY 507 N 1.76 1.70 3.25 -1.50 0.00 0.06 -4.95 105.19 105.50 1ogy n GLY 507 Ca 0.02 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 1ogy n GLY 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s ALA 508 N -2.27 -0.82 0.17 4.61 0.00 -1.26 -1.20 121.76 120.98 1ogy s ALA 508 Ca 0.19 0.45 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 1ogy s ALA 508 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1ogy s ALA 508 CO 0.14 -0.25 0.06 0.71 0.00 0.00 0.00 175.76 176.42 1ogy s TYR 509 N -1.11 1.06 -0.19 0.00 2.02 0.37 -1.88 117.35 117.63 1ogy s TYR 509 Ca -0.12 -1.21 -0.02 0.00 -0.37 0.00 0.00 57.07 55.35 1ogy s TYR 509 Cb -0.05 -0.59 0.06 0.00 -0.40 0.00 0.00 41.96 40.98 1ogy s TYR 509 CO 0.04 -0.45 0.03 0.20 -1.57 0.00 0.00 175.55 173.79 1ogy s GLY 510 N -3.12 0.72 0.93 0.71 0.00 -1.23 -0.33 107.32 105.01 1ogy s GLY 510 Ca 0.28 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.16 1ogy s GLY 510 CO 0.05 1.36 1.25 0.54 0.00 0.00 0.00 173.10 176.31 1ogy s ASN 511 N 1.84 3.36 0.60 1.64 4.22 0.01 -2.37 114.94 124.23 1ogy s ASN 511 Ca -0.01 0.50 0.33 0.00 -2.14 0.00 0.00 52.86 51.54 1ogy s ASN 511 Cb -0.17 -0.73 1.78 0.00 1.28 0.00 0.00 41.25 43.41 1ogy s ASN 511 CO -0.08 -2.60 1.99 0.00 -2.04 0.00 0.00 177.10 174.38 1ogy h ALA 512 N -1.54 1.17 -0.60 3.54 0.00 -1.49 -2.12 119.26 118.21 1ogy h ALA 512 Ca -0.45 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 1ogy h ALA 512 Cb 1.27 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 1ogy h ALA 512 CO 0.48 -0.17 0.21 -0.85 0.00 0.00 0.00 179.25 178.92 1ogy n GLU 513 N -2.80 2.41 -2.20 0.00 0.28 -1.26 -4.71 120.64 112.35 1ogy n GLU 513 Ca -0.02 -3.08 -0.12 0.00 -0.16 0.00 0.00 57.16 53.78 1ogy n GLU 513 Cb 0.23 -2.00 -0.01 0.00 1.43 0.00 0.00 31.44 31.09 1ogy n GLU 513 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ogy n ARG 514 N -0.90 -0.95 -3.48 3.44 1.74 -0.80 -4.68 116.66 111.03 1ogy n ARG 514 Ca 0.41 0.59 -0.40 0.00 -0.77 0.00 0.00 57.85 57.69 1ogy n ARG 514 Cb 1.27 -4.75 -0.10 0.00 -1.02 0.00 0.00 32.46 27.87 1ogy n ARG 514 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ogy s ARG 515 N -4.54 3.70 -0.38 5.56 3.52 -1.24 0.18 118.95 125.74 1ogy s ARG 515 Ca 0.00 -0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.07 1ogy s ARG 515 Cb 0.00 -3.75 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 1ogy s ARG 515 CO 0.00 -0.39 0.25 0.99 -0.81 0.00 0.00 175.30 175.35 1ogy s THR 516 N 1.88 5.02 0.08 4.11 2.01 -1.09 -0.81 115.64 126.83 1ogy s THR 516 Ca 0.09 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1ogy s THR 516 Cb -0.17 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1ogy s THR 516 CO 0.11 -0.20 -0.22 -1.38 -0.69 0.00 0.00 174.62 172.24 1ogy s HIS 517 N 1.65 1.87 0.44 4.92 -3.43 0.55 -3.68 115.29 117.61 1ogy s HIS 517 Ca 0.04 -0.40 0.07 0.00 -0.80 0.00 0.00 55.06 53.98 1ogy s HIS 517 Cb -0.19 -1.06 0.07 0.00 -1.43 0.00 0.00 32.58 29.97 1ogy s HIS 517 CO 0.09 0.16 0.57 1.19 -2.00 0.00 0.00 174.74 174.76 1ogy n PHE 518 N 1.44 -2.22 -3.64 0.38 3.01 -1.26 -0.47 117.46 114.69 1ogy n PHE 518 Ca -0.18 -1.65 -0.04 0.00 1.01 0.00 0.00 57.45 56.58 1ogy n PHE 518 Cb 0.53 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 1ogy n PHE 518 CO 0.00 0.00 0.00 1.67 1.01 0.00 0.00 176.76 179.44 1ogy s TRP 519 N -1.81 -0.31 0.89 1.38 -2.14 -0.34 -4.41 118.94 112.19 1ogy s TRP 519 Ca 0.44 0.70 -0.13 0.00 2.66 0.00 0.00 56.10 59.76 1ogy s TRP 519 Cb -0.03 0.35 0.16 0.00 -3.10 0.00 0.00 33.47 30.84 1ogy s TRP 519 CO 0.28 -0.15 1.24 -1.01 -2.66 0.00 0.00 176.95 174.65 1ogy s HIS 520 N 0.50 2.02 -0.27 1.66 3.76 -1.26 -0.76 115.29 120.93 1ogy s HIS 520 Ca 0.00 0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 55.08 1ogy s HIS 520 Cb -0.04 -3.82 -0.01 0.00 1.11 0.00 0.00 32.58 29.81 1ogy s HIS 520 CO -0.11 -2.28 0.72 -1.14 -0.85 0.00 0.00 174.74 171.07 1ogy s GLN 521 N -5.72 4.07 0.03 1.40 0.74 -1.26 -4.50 119.66 114.42 1ogy s GLN 521 Ca 0.70 0.63 0.22 0.00 0.05 0.00 0.00 55.36 56.95 1ogy s GLN 521 Cb -0.06 -3.68 -0.22 0.00 1.10 0.00 0.00 33.01 30.15 1ogy s GLN 521 CO 0.51 -0.52 0.69 1.28 -0.55 0.00 0.00 175.29 176.69 1ogy n LEU 522 N 5.92 0.31 -4.03 3.68 4.32 -0.48 -3.86 117.00 122.86 1ogy n LEU 522 Ca 0.02 0.04 -0.10 0.00 -0.02 0.00 0.00 56.01 55.95 1ogy n LEU 522 Cb 0.48 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.20 1ogy n LEU 522 CO 0.46 -0.02 0.13 0.68 -1.22 0.00 0.00 177.39 177.42 1ogy s VAL 523 N -3.42 0.00 -0.05 4.08 -7.23 -1.11 -4.86 120.40 107.81 1ogy s VAL 523 Ca -0.04 -1.49 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1ogy s VAL 523 Cb 0.13 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1ogy s VAL 523 CO 0.87 0.00 0.16 -1.61 -0.31 0.00 0.00 175.10 174.21 1ogy s GLU 524 N -3.95 3.43 0.62 4.82 2.02 -1.26 -4.30 118.70 120.08 1ogy s GLU 524 Ca 0.25 -0.26 -0.16 0.00 0.02 0.00 0.00 54.97 54.82 1ogy s GLU 524 Cb 0.00 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1ogy s GLU 524 CO 0.10 0.71 1.09 0.00 0.02 0.00 0.00 175.26 177.19 1ogy s ALA 525 N -1.22 2.59 0.48 5.21 0.00 -1.26 -4.97 121.76 122.59 1ogy s ALA 525 Ca 0.23 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1ogy s ALA 525 Cb -0.12 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1ogy s ALA 525 CO 0.13 -1.06 1.09 -1.25 0.00 0.00 0.00 175.76 174.68 1ogy s PRO 526 N -4.01 3.75 3.99 0.00 0.04 -1.26 -4.79 135.00 132.71 1ogy s PRO 526 Ca 0.66 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ogy s PRO 526 Cb -0.19 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1ogy s PRO 526 CO 0.38 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1ogy n GLY 527 N 0.13 3.12 1.79 0.56 0.00 -1.26 -2.56 105.19 106.97 1ogy n GLY 527 Ca 0.09 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1ogy n GLY 527 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ogy n GLU 528 N 14.00 4.68 -2.41 1.61 -0.58 -0.33 -5.00 120.64 132.61 1ogy n GLU 528 Ca 0.00 -3.13 -0.38 0.00 -0.42 0.00 0.00 57.16 53.23 1ogy n GLU 528 Cb 0.00 -2.22 -0.03 0.00 -0.57 0.00 0.00 31.44 28.62 1ogy n GLU 528 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ogy s ALA 529 N -2.74 3.21 0.04 0.62 0.00 -1.06 -4.88 121.76 116.95 1ogy s ALA 529 Ca 0.53 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1ogy s ALA 529 Cb 0.41 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1ogy s ALA 529 CO 0.16 -0.34 -0.06 1.03 0.00 0.00 0.00 175.76 176.55 1ogy s ARG 530 N -2.13 0.50 0.71 0.00 1.81 -1.12 -4.54 118.95 114.18 1ogy s ARG 530 Ca 0.54 -0.80 -0.16 0.00 -1.72 0.00 0.00 55.73 53.59 1ogy s ARG 530 Cb -0.29 -0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.05 1ogy s ARG 530 CO 0.36 0.01 0.68 -1.13 -0.68 0.00 0.00 175.30 174.53 1ogy n SER 531 N 1.28 -0.63 0.12 0.23 3.41 -1.26 -1.84 113.62 114.93 1ogy n SER 531 Ca -0.22 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.06 1ogy n SER 531 Cb 0.56 -1.28 0.45 0.00 -0.26 0.00 0.00 64.21 63.68 1ogy n SER 531 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ogy h ASP 532 N -0.30 0.23 -0.06 4.04 3.32 -1.93 -0.40 116.42 121.33 1ogy h ASP 532 Ca -0.46 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.58 1ogy h ASP 532 Cb 1.35 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1ogy h ASP 532 CO 0.44 0.29 -0.06 0.25 -1.72 0.00 0.00 179.24 178.44 1ogy h LEU 533 N 0.25 -0.20 -0.02 1.55 5.85 -1.92 0.37 115.31 121.19 1ogy h LEU 533 Ca 0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ogy h LEU 533 Cb 0.19 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ogy h LEU 533 CO 0.00 -0.09 0.01 -0.25 -0.34 0.00 0.00 178.44 177.78 1ogy h TRP 534 N -0.09 0.03 -0.44 1.25 7.01 -1.65 0.32 115.95 122.39 1ogy h TRP 534 Ca 0.05 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.14 1ogy h TRP 534 Cb 0.15 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.11 1ogy h TRP 534 CO -0.16 0.03 -0.17 1.96 -2.79 0.00 0.00 178.44 177.30 1ogy h GLN 535 N 0.02 -0.08 0.28 2.65 4.20 -0.48 0.11 115.11 121.82 1ogy h GLN 535 Ca 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1ogy h GLN 535 Cb 0.01 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1ogy h GLN 535 CO -0.00 -0.05 -0.19 -0.07 -0.67 0.00 0.00 178.83 177.85 1ogy h LEU 536 N -0.08 -0.48 -0.81 1.46 4.07 -0.65 -1.17 115.31 117.66 1ogy h LEU 536 Ca 0.21 0.03 0.19 0.00 0.08 0.00 0.00 57.88 58.39 1ogy h LEU 536 Cb 0.41 0.14 -0.14 0.00 1.08 0.00 0.00 40.66 42.15 1ogy h LEU 536 CO -0.50 -0.28 0.02 0.24 -1.08 0.00 0.00 178.44 176.85 1ogy h MET 537 N -0.45 0.10 -0.34 1.13 2.86 -0.60 -1.52 114.93 116.12 1ogy h MET 537 Ca -0.04 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1ogy h MET 537 Cb 0.36 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1ogy h MET 537 CO 0.03 0.06 -0.02 1.49 1.06 0.00 0.00 176.91 179.54 1ogy h GLU 538 N 0.10 0.61 0.00 1.72 4.57 -0.76 -2.05 114.58 118.77 1ogy h GLU 538 Ca 0.45 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1ogy h GLU 538 Cb 0.83 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1ogy h GLU 538 CO -0.71 0.74 0.00 0.35 -1.18 0.00 0.00 179.01 178.21 1ogy h PHE 539 N 0.41 0.00 0.11 0.92 3.57 -0.20 -1.69 116.94 120.06 1ogy h PHE 539 Ca 0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ogy h PHE 539 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1ogy h PHE 539 CO 0.04 0.00 -0.05 0.77 -2.23 0.00 0.00 178.31 176.84 1ogy h SER 540 N 0.00 -0.13 0.00 0.41 0.02 -0.81 -3.24 113.55 109.81 1ogy h SER 540 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1ogy h SER 540 Cb 0.03 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ogy h SER 540 CO 0.00 0.26 0.00 0.29 -1.14 0.00 0.00 176.83 176.24 1ogy n LYS 541 N -4.98 0.00 -0.02 3.45 5.02 -0.64 -1.60 118.16 119.40 1ogy n LYS 541 Ca -0.09 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.25 1ogy n LYS 541 Cb 0.23 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 1ogy n LYS 541 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ogy n ARG 542 N -0.62 0.66 -4.05 1.97 3.00 -1.22 -4.94 116.66 111.47 1ogy n ARG 542 Ca 0.00 -0.09 -0.25 0.00 -0.01 0.00 0.00 57.85 57.50 1ogy n ARG 542 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 32.46 30.85 1ogy n ARG 542 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ogy s PHE 543 N -3.20 3.25 0.13 -1.55 0.40 -0.63 -4.99 117.98 111.40 1ogy s PHE 543 Ca -0.07 -0.00 0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1ogy s PHE 543 Cb 0.11 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1ogy s PHE 543 CO 0.87 0.51 -0.26 -0.08 0.70 0.00 0.00 175.22 176.96 1ogy s THR 544 N -1.84 2.21 0.59 0.64 -1.32 -1.26 -0.17 115.64 114.48 1ogy s THR 544 Ca 0.32 -1.77 0.29 0.00 -1.21 0.00 0.00 61.69 59.32 1ogy s THR 544 Cb -0.10 -1.97 0.37 0.00 -1.51 0.00 0.00 72.50 69.29 1ogy s THR 544 CO 0.25 0.05 2.02 0.71 -2.21 0.00 0.00 174.62 175.44 1ogy h THR 545 N 3.82 0.42 0.00 5.08 1.35 -1.47 -2.97 112.91 119.14 1ogy h THR 545 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1ogy h THR 545 Cb 1.18 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1ogy h THR 545 CO 0.40 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.14 1ogy n ASP 546 N -3.74 0.00 0.00 5.36 8.00 -1.26 -2.77 116.55 122.14 1ogy n ASP 546 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1ogy n ASP 546 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1ogy n ASP 546 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ogy n GLU 547 N 0.00 0.00 -0.08 -1.24 1.02 -1.21 -1.42 120.64 117.70 1ogy n GLU 547 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1ogy n GLU 547 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1ogy n GLU 547 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ogy n VAL 548 N 0.00 1.08 -3.05 2.62 0.31 -1.12 -5.02 118.33 113.15 1ogy n VAL 548 Ca 0.00 -0.60 -0.32 0.00 -0.01 0.00 0.00 64.34 63.41 1ogy n VAL 548 Cb 0.00 -0.76 -0.06 0.00 -0.91 0.00 0.00 33.84 32.12 1ogy n VAL 548 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1ogy s TRP 549 N -2.38 3.39 0.40 3.52 0.52 -0.51 -4.89 118.94 118.99 1ogy s TRP 549 Ca -0.13 1.22 -0.26 0.00 0.02 0.00 0.00 56.10 56.94 1ogy s TRP 549 Cb 0.05 -2.54 -0.09 0.00 -1.15 0.00 0.00 33.47 29.74 1ogy s TRP 549 CO 0.59 0.03 1.31 -1.25 0.02 0.00 0.00 176.95 177.65 1ogy s PRO 550 N -3.18 4.02 0.33 4.98 0.04 -1.26 -4.84 135.00 135.08 1ogy s PRO 550 Ca 0.54 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.79 1ogy s PRO 550 Cb -0.10 -2.81 0.61 0.00 0.04 0.00 0.00 34.50 32.24 1ogy s PRO 550 CO 0.20 -0.46 1.97 1.05 0.04 0.00 0.00 177.00 179.80 1ogy h GLU 551 N 2.78 0.89 0.17 4.56 4.11 -1.95 -2.60 114.58 122.54 1ogy h GLU 551 Ca -0.50 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 58.90 1ogy h GLU 551 Cb 1.24 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1ogy h GLU 551 CO 0.63 0.59 -0.40 0.93 0.07 0.00 0.00 179.01 180.83 1ogy h GLU 552 N 0.91 -0.64 -0.86 1.06 5.08 -2.00 0.25 114.58 118.38 1ogy h GLU 552 Ca 0.30 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.86 1ogy h GLU 552 Cb 0.07 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 1ogy h GLU 552 CO -0.09 -0.43 0.45 0.82 -1.00 0.00 0.00 179.01 178.76 1ogy h ILE 553 N -0.67 0.73 0.75 3.13 2.04 -1.88 -1.25 117.51 120.36 1ogy h ILE 553 Ca 0.01 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1ogy h ILE 553 Cb 0.67 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1ogy h ILE 553 CO -0.20 0.12 -0.36 -0.07 0.00 0.00 0.00 178.15 177.64 1ogy h LEU 554 N 0.64 -0.85 -0.99 1.44 3.38 -0.87 -2.17 115.31 115.89 1ogy h LEU 554 Ca 0.47 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.66 1ogy h LEU 554 Cb 0.68 0.22 -0.19 0.00 0.09 0.00 0.00 40.66 41.46 1ogy h LEU 554 CO -0.37 -0.59 -0.26 -1.54 0.09 0.00 0.00 178.44 175.78 1ogy n SER 555 N -5.51 -0.38 -0.18 -0.43 3.41 0.75 0.20 113.62 111.47 1ogy n SER 555 Ca -0.14 1.70 0.04 0.00 -0.26 0.00 0.00 58.87 60.21 1ogy n SER 555 Cb 0.41 -0.51 0.31 0.00 -0.26 0.00 0.00 64.21 64.16 1ogy n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ogy h ALA 556 N 1.94 1.59 -2.85 7.33 0.00 -1.02 -3.38 119.26 122.87 1ogy h ALA 556 Ca 0.47 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.77 1ogy h ALA 556 Cb 0.71 -0.24 -0.40 0.00 0.00 0.00 0.00 17.79 17.86 1ogy h ALA 556 CO -1.02 0.34 -0.79 0.00 0.00 0.00 0.00 179.25 177.78 1ogy s ALA 557 N -5.74 1.14 0.17 0.00 0.00 0.53 -5.00 121.76 112.85 1ogy s ALA 557 Ca -0.10 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 49.99 1ogy s ALA 557 Cb 0.18 -1.57 0.08 0.00 0.00 0.00 0.00 23.12 21.81 1ogy s ALA 557 CO 0.77 -1.83 1.59 -1.00 0.00 0.00 0.00 175.76 175.29 1ogy h PRO 558 N 7.73 -0.22 -5.53 0.00 0.13 -1.73 -3.24 132.00 129.15 1ogy h PRO 558 Ca -0.09 0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.89 1ogy h PRO 558 Cb 0.99 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1ogy h PRO 558 CO 0.41 -0.14 0.43 0.00 -0.23 0.00 0.00 178.00 178.47 1ogy s ALA 559 N -5.98 1.22 0.00 -0.56 0.00 -1.26 -0.71 121.76 114.47 1ogy s ALA 559 Ca -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1ogy s ALA 559 Cb 0.14 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1ogy s ALA 559 CO 0.68 -5.39 0.00 0.66 0.00 0.00 0.00 175.76 171.71 1ogy n TYR 560 N 16.15 0.00 -3.43 0.00 0.53 -1.22 -5.07 117.16 124.12 1ogy n TYR 560 Ca 0.43 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 57.15 1ogy n TYR 560 Cb 0.45 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.65 1ogy n TYR 560 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1ogy s ARG 561 N 0.00 0.26 0.49 -0.72 0.52 0.11 -4.60 118.95 115.02 1ogy s ARG 561 Ca 0.00 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 1ogy s ARG 561 Cb 0.00 -0.90 0.00 0.00 0.52 0.00 0.00 34.95 34.57 1ogy s ARG 561 CO 0.00 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 174.98 1ogy n GLY 562 N 5.33 1.00 5.13 -3.53 0.00 -1.26 -4.96 105.19 106.89 1ogy n GLY 562 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1ogy n GLY 562 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ogy n LYS 563 N 0.00 0.00 0.00 1.61 4.76 -1.26 -1.23 118.16 122.04 1ogy n LYS 563 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ogy n LYS 563 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ogy n LYS 563 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ogy n THR 564 N 0.00 -0.39 -1.56 -0.18 -2.24 -1.25 -4.44 114.28 104.23 1ogy n THR 564 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1ogy n THR 564 Cb 0.00 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1ogy n THR 564 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ogy n LEU 565 N -0.20 2.45 0.00 3.22 4.77 0.76 -0.69 117.00 127.31 1ogy n LEU 565 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1ogy n LEU 565 Cb 0.00 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 1ogy n LEU 565 CO 0.00 -1.29 0.00 0.33 -1.33 0.00 0.00 177.39 175.10 1ogy n PHE 566 N 14.45 0.00 -0.15 -1.77 7.35 -1.26 -2.97 117.46 133.11 1ogy n PHE 566 Ca 0.37 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.97 1ogy n PHE 566 Cb 0.49 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.31 1ogy n PHE 566 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ogy h GLU 567 N 0.00 0.68 0.00 -4.13 5.08 -1.12 1.50 114.58 116.59 1ogy h GLU 567 Ca 0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1ogy h GLU 567 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ogy h GLU 567 CO 0.00 0.67 -0.38 0.28 -1.00 0.00 0.00 179.01 178.58 1ogy h VAL 568 N 0.57 0.85 0.00 3.13 2.07 -1.78 -2.58 116.25 118.50 1ogy h VAL 568 Ca 0.14 -1.59 -0.25 0.00 0.82 0.00 0.00 66.70 65.82 1ogy h VAL 568 Cb 0.27 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1ogy h VAL 568 CO -0.00 0.37 -1.93 0.18 0.02 0.00 0.00 177.57 176.21 1ogy n LEU 569 N -3.47 1.83 0.00 2.57 4.77 -0.94 -4.73 117.00 117.03 1ogy n LEU 569 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1ogy n LEU 569 Cb 0.54 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ogy n LEU 569 CO 0.37 0.61 0.02 0.49 -1.33 0.00 0.00 177.39 177.55 1ogy n PHE 570 N -2.79 0.00 -2.09 -1.77 3.01 0.36 -4.70 117.46 109.48 1ogy n PHE 570 Ca -0.26 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.94 1ogy n PHE 570 Cb 0.86 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.35 1ogy n PHE 570 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ogy n ALA 571 N -0.67 5.16 0.37 4.37 0.00 0.42 -3.79 120.51 126.37 1ogy n ALA 571 Ca 0.00 -3.91 0.14 0.00 0.00 0.00 0.00 53.44 49.67 1ogy n ALA 571 Cb 0.01 -0.51 0.52 0.00 0.00 0.00 0.00 19.45 19.47 1ogy n ALA 571 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ogy h ASN 572 N 2.29 0.00 0.00 0.00 2.35 -1.68 -3.43 115.58 115.10 1ogy h ASN 572 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1ogy h ASN 572 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1ogy h ASN 572 CO 0.85 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.24 1ogy n GLY 573 N 0.26 0.73 0.55 2.83 0.00 -1.26 -4.81 105.19 103.49 1ogy n GLY 573 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1ogy n GLY 573 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ogy n SER 574 N 0.00 1.19 0.20 1.61 2.88 -1.26 -4.20 113.62 114.03 1ogy n SER 574 Ca 0.00 0.20 0.09 0.00 -1.33 0.00 0.00 58.87 57.83 1ogy n SER 574 Cb 0.00 -0.46 0.19 0.00 -0.75 0.00 0.00 64.21 63.18 1ogy n SER 574 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ogy h VAL 575 N -0.52 0.29 0.00 2.46 2.07 -1.84 -3.00 116.25 115.71 1ogy h VAL 575 Ca -0.25 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1ogy h VAL 575 Cb 1.07 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1ogy h VAL 575 CO -0.15 0.16 -0.20 0.47 0.02 0.00 0.00 177.57 177.87 1ogy n ASP 576 N -3.16 0.72 -0.17 0.57 10.43 -1.25 -4.38 116.55 119.32 1ogy n ASP 576 Ca 0.03 0.41 0.02 0.00 2.57 0.00 0.00 54.79 57.82 1ogy n ASP 576 Cb 0.57 -0.46 0.05 0.00 1.84 0.00 0.00 41.12 43.11 1ogy n ASP 576 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1ogy n ARG 577 N -2.14 -0.06 -3.76 -1.24 0.63 -1.13 -4.41 116.66 104.54 1ogy n ARG 577 Ca 0.05 0.72 -0.36 0.00 -0.92 0.00 0.00 57.85 57.34 1ogy n ARG 577 Cb 0.42 -1.07 -0.07 0.00 0.45 0.00 0.00 32.46 32.19 1ogy n ARG 577 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1ogy s PHE 578 N -5.54 3.46 0.84 -0.14 0.40 -1.26 -5.08 117.98 110.66 1ogy s PHE 578 Ca -0.07 0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 1ogy s PHE 578 Cb 0.12 -2.11 0.09 0.00 0.51 0.00 0.00 43.02 41.63 1ogy s PHE 578 CO 0.35 0.40 1.09 -1.25 0.70 0.00 0.00 175.22 176.51 1ogy s PRO 579 N 0.03 1.74 0.00 0.24 0.04 -1.26 -2.02 135.00 133.77 1ogy s PRO 579 Ca 0.10 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1ogy s PRO 579 Cb -0.11 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1ogy s PRO 579 CO -0.00 -1.96 0.96 0.00 0.04 0.00 0.00 177.00 176.04 1ogy n ALA 580 N -3.71 1.13 -1.33 8.56 0.00 -1.19 -4.10 120.51 119.87 1ogy n ALA 580 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ogy n ALA 580 Cb 0.54 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ogy n ALA 580 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ogy n SER 581 N -1.42 0.00 -1.73 0.00 2.88 -1.26 -4.44 113.62 107.65 1ogy n SER 581 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1ogy n SER 581 Cb 0.01 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 1ogy n SER 581 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ogy n ASP 582 N 0.00 -4.20 -2.48 -3.46 9.92 -1.26 -4.83 116.55 110.24 1ogy n ASP 582 Ca 0.00 0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 54.43 1ogy n ASP 582 Cb 0.00 -3.75 0.03 0.00 -0.64 0.00 0.00 41.12 36.76 1ogy n ASP 582 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1ogy n VAL 583 N -2.48 1.81 -2.00 2.53 3.14 -1.26 -5.02 118.33 115.05 1ogy n VAL 583 Ca -0.16 -3.64 0.00 0.00 -2.96 0.00 0.00 64.34 57.58 1ogy n VAL 583 Cb 0.54 0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 1ogy n VAL 583 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1ogy n ASN 584 N -0.55 -3.70 -0.31 6.55 2.85 -1.26 -4.74 115.26 114.10 1ogy n ASN 584 Ca 0.24 1.28 0.01 0.00 -0.11 0.00 0.00 54.58 56.01 1ogy n ASN 584 Cb 0.84 -2.96 0.08 0.00 1.24 0.00 0.00 39.78 38.98 1ogy n ASN 584 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ogy h PRO 585 N 3.93 -0.03 -7.50 1.20 0.11 -1.99 -3.38 132.00 124.34 1ogy h PRO 585 Ca 0.00 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.65 1ogy h PRO 585 Cb 0.00 0.01 0.12 0.00 0.11 0.00 0.00 31.00 31.24 1ogy h PRO 585 CO 0.00 -0.02 0.32 -0.51 -0.21 0.00 0.00 178.00 177.58 1ogy s ASP 586 N -5.26 3.82 0.13 -2.05 1.01 -1.26 -4.86 116.67 108.19 1ogy s ASP 586 Ca -0.14 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1ogy s ASP 586 Cb 0.22 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.57 1ogy s ASP 586 CO 0.74 -2.36 0.00 1.41 0.21 0.00 0.00 175.17 175.17 1ogy n HIS 587 N -3.64 -2.25 -2.72 4.23 8.25 -1.26 -5.05 115.22 112.78 1ogy n HIS 587 Ca 0.07 1.27 -0.21 0.00 -0.26 0.00 0.00 57.72 58.60 1ogy n HIS 587 Cb 0.59 -2.66 0.04 0.00 1.12 0.00 0.00 29.99 29.09 1ogy n HIS 587 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ogy s ALA 588 N -0.78 4.03 -0.38 -1.41 0.00 -1.25 -4.88 121.76 117.10 1ogy s ALA 588 Ca 0.00 -1.48 0.05 0.00 0.00 0.00 0.00 51.96 50.52 1ogy s ALA 588 Cb 0.00 -1.95 0.16 0.00 0.00 0.00 0.00 23.12 21.33 1ogy s ALA 588 CO 0.00 -0.76 0.45 1.21 0.00 0.00 0.00 175.76 176.66 1ogy s ASN 589 N -4.46 0.38 0.46 0.00 3.84 -1.26 -4.15 114.94 109.74 1ogy s ASN 589 Ca 0.58 -1.35 0.20 0.00 0.21 0.00 0.00 52.86 52.50 1ogy s ASN 589 Cb -0.09 0.97 1.18 0.00 -0.55 0.00 0.00 41.25 42.76 1ogy s ASN 589 CO 0.38 -0.23 1.93 1.12 -2.79 0.00 0.00 177.10 177.51 1ogy h HIS 590 N 7.04 0.32 0.00 0.43 2.07 -1.96 0.32 115.15 123.37 1ogy h HIS 590 Ca 0.05 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1ogy h HIS 590 Cb 1.09 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.97 1ogy h HIS 590 CO 0.27 0.12 0.00 0.39 -3.07 0.00 0.00 177.93 175.64 1ogy n GLU 591 N -4.44 0.79 -0.00 5.12 1.02 -1.26 -2.25 120.64 119.63 1ogy n GLU 591 Ca 0.14 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1ogy n GLU 591 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1ogy n GLU 591 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ogy n ALA 592 N -1.02 2.46 0.09 0.62 0.00 0.11 -4.43 120.51 118.34 1ogy n ALA 592 Ca 0.19 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1ogy n ALA 592 Cb 0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 1ogy n ALA 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy h ALA 593 N 0.85 -0.03 -2.54 0.00 0.00 -1.05 -3.41 119.26 113.08 1ogy h ALA 593 Ca 0.00 -0.77 -0.54 0.00 0.00 0.00 0.00 54.91 53.60 1ogy h ALA 593 Cb 0.35 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ogy h ALA 593 CO 0.00 0.67 -0.02 -0.51 0.00 0.00 0.00 179.25 179.39 1ogy s LEU 594 N -7.86 4.29 0.23 0.00 1.43 -0.95 -4.81 118.68 111.01 1ogy s LEU 594 Ca -0.10 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1ogy s LEU 594 Cb 0.05 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1ogy s LEU 594 CO 0.93 0.03 0.00 0.49 0.23 0.00 0.00 176.35 178.03 1ogy n PHE 595 N 0.54 -1.58 0.91 0.29 3.72 -1.26 -4.65 117.46 115.43 1ogy n PHE 595 Ca -0.03 0.87 0.10 0.00 -0.05 0.00 0.00 57.45 58.34 1ogy n PHE 595 Cb 0.52 -1.55 0.01 0.00 -0.94 0.00 0.00 39.48 37.52 1ogy n PHE 595 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ogy n GLY 596 N -2.35 0.12 0.00 1.37 0.00 -1.26 -4.71 105.19 98.36 1ogy n GLY 596 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1ogy n GLY 596 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ogy n PHE 597 N 0.13 0.00 -3.45 1.61 -1.74 -1.26 -3.19 117.46 109.55 1ogy n PHE 597 Ca 0.09 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.70 1ogy n PHE 597 Cb 0.45 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.33 1ogy n PHE 597 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1ogy s TYR 598 N 2.60 0.92 0.12 2.97 5.04 -0.86 -4.06 117.35 124.08 1ogy s TYR 598 Ca 0.00 -1.90 -0.26 0.00 -2.44 0.00 0.00 57.07 52.47 1ogy s TYR 598 Cb 0.00 -0.97 -0.07 0.00 0.35 0.00 0.00 41.96 41.27 1ogy s TYR 598 CO 0.00 -0.82 1.45 -1.35 -1.34 0.00 0.00 175.55 173.48 1ogy h PRO 599 N 6.54 -0.13 -0.33 4.97 0.11 -1.83 -2.33 132.00 138.99 1ogy h PRO 599 Ca 0.13 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.31 1ogy h PRO 599 Cb 0.95 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.00 1ogy h PRO 599 CO 0.31 -0.09 -0.35 -0.56 -0.21 0.00 0.00 178.00 177.10 1ogy h GLN 600 N -0.14 -0.30 -0.26 1.05 -0.00 -1.95 0.30 115.11 113.82 1ogy h GLN 600 Ca 0.10 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.81 1ogy h GLN 600 Cb 0.40 0.07 -0.04 0.00 -0.00 0.00 0.00 27.48 27.91 1ogy h GLN 600 CO -0.65 -0.20 0.03 -0.22 -0.00 0.00 0.00 178.83 177.79 1ogy h LYS 601 N -0.31 0.12 0.19 0.06 3.64 -1.90 0.20 116.57 118.57 1ogy h LYS 601 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ogy h LYS 601 Cb 0.56 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ogy h LYS 601 CO -0.50 0.08 -0.15 0.78 -2.27 0.00 0.00 179.45 177.39 1ogy h GLY 602 N 0.12 -0.35 0.97 5.01 0.00 -0.78 -0.09 103.07 107.95 1ogy h GLY 602 Ca 0.12 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ogy h GLY 602 CO -0.17 -0.15 0.10 1.41 0.00 0.00 0.00 176.54 177.72 1ogy h LEU 603 N -0.35 0.20 0.54 3.11 4.07 -0.24 -0.49 115.31 122.15 1ogy h LEU 603 Ca -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1ogy h LEU 603 Cb 0.32 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1ogy h LEU 603 CO -0.01 0.18 -0.50 0.15 -1.08 0.00 0.00 178.44 177.19 1ogy h PHE 604 N 0.20 -1.37 -0.16 1.13 3.57 -0.44 0.37 116.94 120.23 1ogy h PHE 604 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ogy h PHE 604 Cb 0.02 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1ogy h PHE 604 CO -0.05 -0.68 0.09 0.93 -2.23 0.00 0.00 178.31 176.37 1ogy h GLU 605 N -1.03 0.22 0.31 1.11 4.39 -1.00 0.42 114.58 118.99 1ogy h GLU 605 Ca -0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ogy h GLU 605 Cb 0.88 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1ogy h GLU 605 CO -0.04 0.16 -0.15 1.49 -1.16 0.00 0.00 179.01 179.31 1ogy h GLU 606 N 0.22 -0.40 -1.20 2.33 4.81 -0.59 -3.15 114.58 116.60 1ogy h GLU 606 Ca 0.06 0.03 0.38 0.00 -0.13 0.00 0.00 59.36 59.69 1ogy h GLU 606 Cb 0.00 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 29.35 1ogy h GLU 606 CO -0.01 -0.26 0.76 -0.92 -0.73 0.00 0.00 179.01 177.85 1ogy h TYR 607 N -0.69 0.61 -0.01 0.92 3.20 -0.05 0.29 116.97 121.24 1ogy h TYR 607 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ogy h TYR 607 Cb 0.32 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1ogy h TYR 607 CO 0.05 -0.14 0.01 0.00 -1.64 0.00 0.00 178.16 176.44 1ogy h ALA 608 N 1.64 1.91 0.00 1.82 0.00 -0.14 -1.98 119.26 122.52 1ogy h ALA 608 Ca 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1ogy h ALA 608 Cb 2.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1ogy h ALA 608 CO -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1ogy h ALA 609 N 2.00 1.00 -0.26 0.00 0.00 -0.40 -2.67 119.26 118.92 1ogy h ALA 609 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1ogy h ALA 609 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ogy h ALA 609 CO -0.00 0.00 -0.53 0.74 0.00 0.00 0.00 179.25 179.46 1ogy h PHE 610 N 0.00 0.96 -1.84 0.00 -1.00 -1.50 -3.43 116.94 110.12 1ogy h PHE 610 Ca 0.00 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1ogy h PHE 610 Cb 0.24 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1ogy h PHE 610 CO 0.00 1.13 0.00 0.41 -1.61 0.00 0.00 178.31 178.24 1ogy n GLY 611 N 0.29 1.49 2.08 -1.45 0.00 -1.01 -4.85 105.19 101.75 1ogy n GLY 611 Ca -0.04 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 1ogy n GLY 611 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy n ARG 612 N 0.00 -2.44 0.00 1.61 1.74 -1.15 -4.69 116.66 111.73 1ogy n ARG 612 Ca 0.00 2.07 0.00 0.00 -0.77 0.00 0.00 57.85 59.15 1ogy n ARG 612 Cb 0.00 -3.18 0.00 0.00 -1.02 0.00 0.00 32.46 28.26 1ogy n ARG 612 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 613 N 0.88 1.09 3.51 -0.13 0.00 -1.26 -4.94 105.19 104.35 1ogy n GLY 613 Ca -0.22 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 1ogy n GLY 613 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ogy n HIS 614 N 0.00 0.79 0.00 1.61 8.25 -1.26 -4.71 115.22 119.90 1ogy n HIS 614 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1ogy n HIS 614 Cb 0.00 -2.45 0.00 0.00 1.12 0.00 0.00 29.99 28.66 1ogy n HIS 614 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ogy n GLY 615 N 6.37 0.63 0.65 -1.41 0.00 -1.26 -4.55 105.19 105.62 1ogy n GLY 615 Ca 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1ogy n GLY 615 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ogy n HIS 616 N 5.24 -0.52 -1.59 1.61 -0.00 -1.26 -2.94 115.22 115.76 1ogy n HIS 616 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.26 1ogy n HIS 616 Cb 0.00 -0.55 -0.04 0.00 -0.00 0.00 0.00 29.99 29.39 1ogy n HIS 616 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ogy n ASP 617 N 0.72 3.16 -4.91 0.41 8.00 -1.26 -3.99 116.55 118.68 1ogy n ASP 617 Ca 0.00 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 55.72 1ogy n ASP 617 Cb 0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 39.62 1ogy n ASP 617 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ogy s LEU 618 N 6.63 4.22 0.90 0.64 1.43 -1.26 0.86 118.68 132.11 1ogy s LEU 618 Ca 1.00 0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.49 1ogy s LEU 618 Cb -0.55 -3.29 0.14 0.00 0.03 0.00 0.00 46.19 42.52 1ogy s LEU 618 CO 0.43 -0.01 1.22 0.00 0.23 0.00 0.00 176.35 178.22 1ogy s ALA 619 N -1.79 2.27 0.36 4.21 0.00 -1.26 -4.78 121.76 120.77 1ogy s ALA 619 Ca 0.40 -0.85 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 1ogy s ALA 619 Cb -0.12 -2.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.00 1ogy s ALA 619 CO 0.27 -2.14 1.40 -2.14 0.00 0.00 0.00 175.76 173.14 1ogy s PRO 620 N -5.64 4.21 0.10 0.00 0.02 -1.26 -4.91 135.00 127.52 1ogy s PRO 620 Ca 0.67 2.39 -0.19 0.00 0.02 0.00 0.00 61.00 63.89 1ogy s PRO 620 Cb -0.09 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 1ogy s PRO 620 CO 0.51 -0.38 1.33 0.34 -0.33 0.00 0.00 177.00 178.48 1ogy n PHE 621 N 0.59 -0.27 -0.35 6.54 7.35 -1.26 -1.10 117.46 128.96 1ogy n PHE 621 Ca 0.01 0.78 0.24 0.00 -0.76 0.00 0.00 57.45 57.72 1ogy n PHE 621 Cb 0.41 -0.55 0.51 0.00 0.35 0.00 0.00 39.48 40.19 1ogy n PHE 621 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1ogy h ASP 622 N 0.00 0.46 -0.85 -2.13 3.32 -1.99 -1.21 116.42 114.02 1ogy h ASP 622 Ca 0.10 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1ogy h ASP 622 Cb 0.26 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1ogy h ASP 622 CO -0.58 0.03 0.54 0.74 -1.72 0.00 0.00 179.24 178.24 1ogy h THR 623 N 0.37 1.12 0.00 0.35 2.02 -1.47 -2.01 112.91 113.29 1ogy h THR 623 Ca 0.65 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1ogy h THR 623 Cb 1.64 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1ogy h THR 623 CO -0.38 0.19 0.00 1.88 0.37 0.00 0.00 175.52 177.59 1ogy h TYR 624 N 1.05 0.00 0.00 3.16 -1.99 -1.19 -1.61 116.97 116.38 1ogy h TYR 624 Ca 0.34 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.01 1ogy h TYR 624 Cb 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1ogy h TYR 624 CO -0.02 0.00 -1.11 0.45 -0.00 0.00 0.00 178.16 177.48 1ogy h HIS 625 N 0.00 0.00 0.00 4.88 3.86 -1.47 -3.35 115.15 119.07 1ogy h HIS 625 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ogy h HIS 625 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1ogy h HIS 625 CO 0.00 0.22 -0.86 0.93 0.86 0.00 0.00 177.93 179.08 1ogy h GLU 626 N 0.00 0.00 -6.10 2.45 4.39 -1.32 -3.48 114.58 110.53 1ogy h GLU 626 Ca -0.06 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.04 1ogy h GLU 626 Cb 1.22 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.74 1ogy h GLU 626 CO 0.02 0.00 -0.70 0.08 -1.16 0.00 0.00 179.01 177.25 1ogy s VAL 627 N -3.28 2.55 -1.22 3.13 1.01 -1.10 -5.04 120.40 116.45 1ogy s VAL 627 Ca 0.02 -2.21 -0.07 0.00 0.00 0.00 0.00 61.98 59.72 1ogy s VAL 627 Cb 0.11 -2.55 0.21 0.00 0.00 0.00 0.00 36.38 34.15 1ogy s VAL 627 CO 0.77 -0.30 1.82 0.54 0.00 0.00 0.00 175.10 177.92 1ogy n ARG 628 N -0.76 4.06 -0.43 2.72 3.00 -1.26 -4.85 116.66 119.14 1ogy n ARG 628 Ca -0.05 -3.87 0.04 0.00 -0.01 0.00 0.00 57.85 53.97 1ogy n ARG 628 Cb 0.61 -2.75 -0.02 0.00 0.00 0.00 0.00 32.46 30.30 1ogy n ARG 628 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ogy n GLY 629 N 2.12 -2.90 3.06 -0.13 0.00 -1.26 -4.66 105.19 101.42 1ogy n GLY 629 Ca 0.38 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1ogy n GLY 629 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 630 N -4.76 0.42 0.14 0.99 1.43 -1.24 -4.95 118.68 110.71 1ogy s LEU 630 Ca 0.00 0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 1ogy s LEU 630 Cb 0.00 0.74 -0.07 0.00 0.03 0.00 0.00 46.19 46.90 1ogy s LEU 630 CO 0.00 -0.16 1.09 -1.00 0.23 0.00 0.00 176.35 176.50 1ogy s HIS 631 N 1.24 3.61 0.26 0.29 3.76 -1.25 -2.67 115.29 120.52 1ogy s HIS 631 Ca -0.09 1.59 -0.10 0.00 -0.15 0.00 0.00 55.06 56.31 1ogy s HIS 631 Cb -0.10 -3.25 -0.07 0.00 1.11 0.00 0.00 32.58 30.26 1ogy s HIS 631 CO -0.08 -0.54 0.59 1.67 -0.85 0.00 0.00 174.74 175.52 1ogy s TRP 632 N 0.04 3.42 -0.92 1.40 1.48 0.13 -2.09 118.94 122.39 1ogy s TRP 632 Ca 0.50 0.92 -0.24 0.00 -1.06 0.00 0.00 56.10 56.22 1ogy s TRP 632 Cb -0.28 -2.30 -0.23 0.00 -1.16 0.00 0.00 33.47 29.50 1ogy s TRP 632 CO 0.33 0.22 2.50 -0.35 -4.06 0.00 0.00 176.95 175.58 1ogy n PRO 633 N -0.29 0.16 -3.07 3.25 -0.05 -1.24 -4.76 135.00 129.01 1ogy n PRO 633 Ca 0.01 -0.06 -0.44 0.00 -0.05 0.00 0.00 63.50 62.96 1ogy n PRO 633 Cb 0.53 -1.75 -0.04 0.00 -0.05 0.00 0.00 33.50 32.19 1ogy n PRO 633 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1ogy s VAL 634 N 7.30 4.74 -0.28 0.52 1.01 0.25 -3.57 120.40 130.37 1ogy s VAL 634 Ca 1.27 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1ogy s VAL 634 Cb -0.94 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 30.91 1ogy s VAL 634 CO 0.46 -1.18 0.07 -0.69 0.00 0.00 0.00 175.10 173.75 1ogy s VAL 635 N 2.92 4.01 -1.06 2.92 1.01 -0.85 -4.40 120.40 124.95 1ogy s VAL 635 Ca 0.13 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1ogy s VAL 635 Cb -0.23 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1ogy s VAL 635 CO 0.07 0.18 0.93 -0.62 0.00 0.00 0.00 175.10 175.65 1ogy n GLU 636 N 4.88 -6.23 -1.18 2.72 1.02 -1.26 -2.66 120.64 117.94 1ogy n GLU 636 Ca -0.15 0.65 -0.06 0.00 -0.02 0.00 0.00 57.16 57.57 1ogy n GLU 636 Cb 0.49 -5.14 -0.03 0.00 -0.02 0.00 0.00 31.44 26.74 1ogy n GLU 636 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ogy n GLY 637 N -1.67 0.78 3.20 0.62 0.00 -1.26 -4.99 105.19 101.87 1ogy n GLY 637 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1ogy n GLY 637 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ogy s GLU 638 N -2.10 3.13 0.74 1.61 2.02 -1.09 -5.10 118.70 117.92 1ogy s GLU 638 Ca 0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.11 1ogy s GLU 638 Cb 0.00 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.62 1ogy s GLU 638 CO 0.00 -0.12 1.07 -1.83 0.02 0.00 0.00 175.26 174.41 1ogy s GLU 639 N 1.12 2.56 -0.24 1.61 -1.05 -1.26 -2.00 118.70 119.44 1ogy s GLU 639 Ca 0.01 0.90 -0.01 0.00 -0.15 0.00 0.00 54.97 55.72 1ogy s GLU 639 Cb -0.14 -1.95 0.03 0.00 -0.44 0.00 0.00 34.13 31.63 1ogy s GLU 639 CO -0.06 -1.35 -0.09 0.99 0.95 0.00 0.00 175.26 175.70 1ogy s THR 640 N -3.05 2.67 -0.01 1.83 2.01 -0.89 -4.95 115.64 113.25 1ogy s THR 640 Ca 0.59 -1.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1ogy s THR 640 Cb -0.15 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1ogy s THR 640 CO 0.55 0.21 0.20 0.03 -0.69 0.00 0.00 174.62 174.92 1ogy h ARG 641 N 7.97 -0.05 -5.14 4.92 3.08 -1.87 -3.41 114.38 119.89 1ogy h ARG 641 Ca -0.32 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.11 1ogy h ARG 641 Cb 1.10 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.02 1ogy h ARG 641 CO 0.57 -0.03 -0.51 -1.58 -1.07 0.00 0.00 179.97 177.34 1ogy s TRP 642 N -1.55 3.32 0.17 3.04 0.51 -1.26 -4.28 118.94 118.89 1ogy s TRP 642 Ca -0.01 0.20 -0.07 0.00 -2.12 0.00 0.00 56.10 54.10 1ogy s TRP 642 Cb 0.00 -2.23 -0.06 0.00 -0.81 0.00 0.00 33.47 30.37 1ogy s TRP 642 CO 0.02 0.10 0.45 1.03 -0.51 0.00 0.00 176.95 178.04 1ogy s ARG 643 N 0.87 3.72 -0.67 4.98 0.52 0.14 -3.38 118.95 125.13 1ogy s ARG 643 Ca 0.07 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 1ogy s ARG 643 Cb -0.13 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.55 1ogy s ARG 643 CO 0.03 0.42 0.00 0.66 0.02 0.00 0.00 175.30 176.42 1ogy n TYR 644 N 0.10 -0.13 -4.29 -0.53 4.01 -1.26 -4.73 117.16 110.33 1ogy n TYR 644 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 1ogy n TYR 644 Cb 0.52 -1.68 -0.17 0.00 -0.31 0.00 0.00 39.34 37.70 1ogy n TYR 644 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ogy s ARG 645 N -3.30 1.76 0.30 -0.72 1.81 -1.26 -3.16 118.95 114.37 1ogy s ARG 645 Ca 0.00 -0.39 -0.30 0.00 -1.72 0.00 0.00 55.73 53.33 1ogy s ARG 645 Cb 0.00 -1.59 -0.12 0.00 -0.45 0.00 0.00 34.95 32.79 1ogy s ARG 645 CO 0.00 -0.11 1.43 -1.91 -0.68 0.00 0.00 175.30 174.03 1ogy n GLU 646 N 4.34 2.28 0.00 3.54 2.13 0.94 -0.11 120.64 133.76 1ogy n GLU 646 Ca -0.18 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1ogy n GLU 646 Cb 0.51 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1ogy n GLU 646 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ogy n GLY 647 N 1.60 2.60 0.13 8.31 0.00 -1.26 -4.69 105.19 111.87 1ogy n GLY 647 Ca 0.08 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1ogy n GLY 647 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ogy n PHE 648 N 0.00 0.61 -4.04 1.61 3.72 -0.38 -4.89 117.46 114.09 1ogy n PHE 648 Ca 0.00 0.20 -0.34 0.00 -0.05 0.00 0.00 57.45 57.25 1ogy n PHE 648 Cb 0.00 -1.07 -0.10 0.00 -0.94 0.00 0.00 39.48 37.37 1ogy n PHE 648 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ogy s ASP 649 N -7.00 5.57 0.00 4.37 3.68 0.84 -4.65 116.67 119.48 1ogy s ASP 649 Ca -0.31 0.08 0.27 0.00 2.13 0.00 0.00 52.55 54.72 1ogy s ASP 649 Cb 0.09 -1.94 1.18 0.00 -1.45 0.00 0.00 42.92 40.80 1ogy s ASP 649 CO 0.61 0.19 1.88 -0.81 0.13 0.00 0.00 175.17 177.16 1ogy n PRO 650 N 3.45 0.04 -0.03 4.34 -0.04 -1.26 -3.19 135.00 138.32 1ogy n PRO 650 Ca -0.17 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1ogy n PRO 650 Cb 0.52 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.04 1ogy n PRO 650 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ogy n TYR 651 N -1.48 0.07 -3.57 0.54 4.02 -1.26 -4.64 117.16 110.85 1ogy n TYR 651 Ca 0.07 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.90 57.54 1ogy n TYR 651 Cb 0.31 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.52 1ogy n TYR 651 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ogy s VAL 652 N -1.93 5.24 0.36 -0.72 1.01 -1.19 -5.00 120.40 118.16 1ogy s VAL 652 Ca 0.35 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 1ogy s VAL 652 Cb 0.18 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 1ogy s VAL 652 CO 0.28 0.12 1.24 -0.54 0.00 0.00 0.00 175.10 176.21 1ogy s LYS 653 N 1.73 4.24 0.05 2.72 1.02 -1.26 -4.75 119.74 123.49 1ogy s LYS 653 Ca 0.06 2.05 -0.10 0.00 0.02 0.00 0.00 55.97 58.00 1ogy s LYS 653 Cb -0.17 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1ogy s LYS 653 CO 0.10 -0.23 0.61 -2.30 -0.92 0.00 0.00 175.35 172.62 1ogy n PRO 654 N 0.53 -0.15 -2.78 -1.68 -0.02 -1.26 -2.44 135.00 127.20 1ogy n PRO 654 Ca 0.02 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 1ogy n PRO 654 Cb 0.44 -0.89 -0.00 0.00 -0.02 0.00 0.00 33.50 33.03 1ogy n PRO 654 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ogy s GLY 655 N -2.37 1.99 0.16 -1.23 0.00 -1.26 -4.49 107.32 100.12 1ogy s GLY 655 Ca -0.04 -3.07 0.00 0.00 0.00 0.00 0.00 44.72 41.61 1ogy s GLY 655 CO 0.21 2.35 0.00 -2.21 0.00 0.00 0.00 173.10 173.45 1ogy n GLU 656 N 7.01 0.00 0.00 2.90 2.13 -1.02 -5.08 120.64 126.57 1ogy n GLU 656 Ca 0.40 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1ogy n GLU 656 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1ogy n GLU 656 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ogy n GLY 657 N 0.10 2.09 3.19 8.31 0.00 -1.26 -4.91 105.19 112.71 1ogy n GLY 657 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 1ogy n GLY 657 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 658 N 0.00 2.36 -0.31 0.99 1.02 -1.26 -0.04 118.68 121.44 1ogy s LEU 658 Ca 0.00 -0.74 -0.05 0.00 0.02 0.00 0.00 54.13 53.36 1ogy s LEU 658 Cb 0.00 -0.42 0.19 0.00 0.02 0.00 0.00 46.19 45.98 1ogy s LEU 658 CO 0.00 -0.18 0.91 -0.60 0.02 0.00 0.00 176.35 176.50 1ogy s ARG 659 N -2.39 0.30 -0.90 1.70 3.52 -1.19 -4.99 118.95 115.00 1ogy s ARG 659 Ca 0.03 0.16 -0.24 0.00 -0.13 0.00 0.00 55.73 55.55 1ogy s ARG 659 Cb -0.06 0.10 -0.16 0.00 -1.56 0.00 0.00 34.95 33.27 1ogy s ARG 659 CO 0.01 -0.53 1.91 1.19 -0.81 0.00 0.00 175.30 177.08 1ogy n PHE 660 N 4.86 1.92 0.30 5.12 3.72 -1.23 -4.71 117.46 127.44 1ogy n PHE 660 Ca 0.08 -1.32 0.00 0.00 -0.05 0.00 0.00 57.45 56.16 1ogy n PHE 660 Cb 0.58 -2.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.02 1ogy n PHE 660 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1ogy n TYR 661 N 12.09 0.00 0.06 1.38 0.18 -1.26 -1.55 117.16 128.06 1ogy n TYR 661 Ca 0.46 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 60.10 1ogy n TYR 661 Cb 0.44 -0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.26 1ogy n TYR 661 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1ogy h GLY 662 N 1.29 0.22 -3.26 -7.48 0.00 -1.83 -3.44 103.07 88.56 1ogy h GLY 662 Ca 0.00 -0.56 -0.51 0.00 0.00 0.00 0.00 47.33 46.26 1ogy h GLY 662 CO 0.00 0.49 0.10 0.54 0.00 0.00 0.00 176.54 177.67 1ogy s LYS 663 N -2.64 4.12 0.03 4.80 -0.14 -0.60 -4.72 119.74 120.60 1ogy s LYS 663 Ca -0.06 0.76 -0.25 0.00 -1.36 0.00 0.00 55.97 55.07 1ogy s LYS 663 Cb 0.07 -2.65 -0.18 0.00 -1.68 0.00 0.00 37.83 33.40 1ogy s LYS 663 CO 0.85 0.27 1.49 -1.35 -0.76 0.00 0.00 175.35 175.86 1ogy h PRO 664 N 2.82 -0.05 0.00 -1.68 0.11 -1.85 -2.60 132.00 128.75 1ogy h PRO 664 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ogy h PRO 664 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ogy h PRO 664 CO 0.65 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 1ogy n ASP 665 N -5.00 0.00 -1.77 -2.05 5.75 -1.26 -4.88 116.55 107.34 1ogy n ASP 665 Ca -0.08 0.31 -0.12 0.00 -0.01 0.00 0.00 54.79 54.89 1ogy n ASP 665 Cb 0.15 -0.42 0.02 0.00 -1.03 0.00 0.00 41.12 39.84 1ogy n ASP 665 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ogy n GLY 666 N 0.60 0.03 3.17 6.12 0.00 -0.98 -5.00 105.19 109.14 1ogy n GLY 666 Ca 0.07 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1ogy n GLY 666 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogy s ARG 667 N -5.19 1.75 0.18 1.61 0.52 -1.26 -3.47 118.95 113.09 1ogy s ARG 667 Ca 0.17 -0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 54.52 1ogy s ARG 667 Cb -0.08 -1.58 -0.08 0.00 0.52 0.00 0.00 34.95 33.74 1ogy s ARG 667 CO 0.21 0.32 0.69 0.00 0.02 0.00 0.00 175.30 176.55 1ogy s ALA 668 N -0.17 3.47 0.22 2.13 0.00 -0.73 -4.78 121.76 121.89 1ogy s ALA 668 Ca 0.01 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 1ogy s ALA 668 Cb -0.10 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1ogy s ALA 668 CO 0.01 0.35 0.86 0.08 0.00 0.00 0.00 175.76 177.06 1ogy s VAL 669 N -1.37 4.24 -0.24 0.00 1.01 -0.87 -1.94 120.40 121.23 1ogy s VAL 669 Ca 0.39 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 1ogy s VAL 669 Cb -0.18 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1ogy s VAL 669 CO 0.22 0.45 -0.08 -0.63 0.00 0.00 0.00 175.10 175.05 1ogy s ILE 670 N -1.24 2.76 -0.15 2.22 1.01 -0.33 -4.81 121.20 120.66 1ogy s ILE 670 Ca 0.40 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 1ogy s ILE 670 Cb -0.23 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1ogy s ILE 670 CO 0.28 0.26 0.37 -0.22 0.00 0.00 0.00 174.94 175.63 1ogy s LEU 671 N 1.32 4.24 -0.45 2.97 2.96 -1.26 -1.57 118.68 126.89 1ogy s LEU 671 Ca 0.01 0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 54.33 1ogy s LEU 671 Cb -0.16 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.05 1ogy s LEU 671 CO -0.06 0.04 0.65 -0.83 -1.32 0.00 0.00 176.35 174.83 1ogy s GLY 672 N 0.62 1.71 0.08 7.98 0.00 0.17 -4.83 107.32 113.05 1ogy s GLY 672 Ca 0.20 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1ogy s GLY 672 CO 0.07 1.54 -0.12 0.54 0.00 0.00 0.00 173.10 175.13 1ogy s VAL 673 N 2.83 0.99 -0.05 1.40 0.11 -1.26 -1.62 120.40 122.79 1ogy s VAL 673 Ca 0.22 -1.45 -0.03 0.00 -2.93 0.00 0.00 61.98 57.78 1ogy s VAL 673 Cb -0.15 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 1ogy s VAL 673 CO 0.18 -0.40 0.10 -2.16 -3.33 0.00 0.00 175.10 169.49 1ogy s PRO 674 N -2.24 3.21 0.52 1.54 0.04 -1.26 -4.99 135.00 131.82 1ogy s PRO 674 Ca 0.01 -0.34 -0.22 0.00 0.04 0.00 0.00 61.00 60.48 1ogy s PRO 674 Cb -0.07 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1ogy s PRO 674 CO 0.01 0.70 1.30 0.98 0.04 0.00 0.00 177.00 180.03 1ogy n TYR 675 N 1.56 2.12 -4.13 0.56 9.36 -1.26 -5.01 117.16 120.36 1ogy n TYR 675 Ca -0.16 0.45 -0.10 0.00 3.32 0.00 0.00 57.90 61.41 1ogy n TYR 675 Cb 0.53 -2.35 -0.10 0.00 -0.63 0.00 0.00 39.34 36.80 1ogy n TYR 675 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1ogy s GLU 676 N -2.69 1.00 0.41 2.98 2.02 -1.26 -5.08 118.70 116.09 1ogy s GLU 676 Ca 0.69 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 54.26 1ogy s GLU 676 Cb -0.44 0.27 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 1ogy s GLU 676 CO 0.51 -0.31 0.62 -1.25 0.02 0.00 0.00 175.26 174.86 1ogy s PRO 677 N -4.05 3.18 0.75 0.39 0.04 -1.26 -4.91 135.00 129.14 1ogy s PRO 677 Ca 0.25 -0.50 -0.13 0.00 0.04 0.00 0.00 61.00 60.66 1ogy s PRO 677 Cb 0.07 -2.61 0.05 0.00 0.04 0.00 0.00 34.50 32.05 1ogy s PRO 677 CO 0.03 -0.13 1.14 -1.25 0.04 0.00 0.00 177.00 176.83 1ogy s PRO 678 N -4.46 2.16 0.20 0.56 0.04 -1.26 -4.95 135.00 127.29 1ogy s PRO 678 Ca 0.46 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 1ogy s PRO 678 Cb -0.10 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.79 1ogy s PRO 678 CO 0.37 -1.76 1.79 0.00 0.04 0.00 0.00 177.00 177.44 1ogy h ALA 679 N -0.69 0.81 -3.23 8.56 0.00 -1.98 -3.40 119.26 119.33 1ogy h ALA 679 Ca -0.46 0.03 -0.49 0.00 0.00 0.00 0.00 54.91 53.99 1ogy h ALA 679 Cb 1.26 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.60 1ogy h ALA 679 CO 0.50 -0.02 -0.79 -2.00 0.00 0.00 0.00 179.25 176.93 1ogy s GLU 680 N -6.10 1.24 0.24 0.00 2.12 -1.26 -5.12 118.70 109.81 1ogy s GLU 680 Ca -0.13 -0.15 0.09 0.00 0.36 0.00 0.00 54.97 55.14 1ogy s GLU 680 Cb 0.16 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1ogy s GLU 680 CO 0.75 -0.25 -0.02 -1.12 -0.54 0.00 0.00 175.26 174.08 1ogy s SER 681 N 1.68 4.49 0.44 -1.70 0.01 -1.26 -4.02 113.70 113.34 1ogy s SER 681 Ca 0.03 -0.62 -0.26 0.00 1.31 0.00 0.00 55.95 56.42 1ogy s SER 681 Cb -0.13 -0.83 -0.09 0.00 0.21 0.00 0.00 66.02 65.18 1ogy s SER 681 CO -0.06 0.03 1.40 -0.81 0.41 0.00 0.00 173.24 174.21 1ogy n PRO 682 N -0.63 2.23 0.00 12.44 -0.04 -1.26 -4.55 135.00 143.18 1ogy n PRO 682 Ca -0.08 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1ogy n PRO 682 Cb 0.58 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1ogy n PRO 682 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ogy n ASP 683 N -0.03 0.38 -0.03 3.54 8.00 0.02 -4.94 116.55 123.50 1ogy n ASP 683 Ca 0.05 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 1ogy n ASP 683 Cb 0.41 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.37 1ogy n ASP 683 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ogy n GLU 684 N 0.00 0.71 0.02 -1.24 2.13 -1.26 -3.71 120.64 117.28 1ogy n GLU 684 Ca 0.00 0.23 -0.12 0.00 0.66 0.00 0.00 57.16 57.93 1ogy n GLU 684 Cb 0.00 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 29.94 1ogy n GLU 684 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ogy h GLU 685 N 0.04 -0.12 -3.55 5.31 4.81 -2.00 -3.38 114.58 115.69 1ogy h GLU 685 Ca -0.43 0.01 -0.73 0.00 -0.13 0.00 0.00 59.36 58.08 1ogy h GLU 685 Cb 2.02 0.03 -0.33 0.00 0.63 0.00 0.00 28.75 31.10 1ogy h GLU 685 CO 0.05 0.41 -0.13 -0.06 -0.73 0.00 0.00 179.01 178.55 1ogy s PHE 686 N -3.46 3.68 -0.51 0.92 0.40 -1.26 -4.77 117.98 112.97 1ogy s PHE 686 Ca -0.14 -2.65 0.26 0.00 -0.60 0.00 0.00 56.93 53.79 1ogy s PHE 686 Cb 0.00 -3.39 0.83 0.00 0.51 0.00 0.00 43.02 40.97 1ogy s PHE 686 CO 0.56 -0.85 1.75 0.78 0.70 0.00 0.00 175.22 178.16 1ogy h GLY 687 N 6.86 0.00 -4.53 4.36 0.00 -1.64 0.08 103.07 108.20 1ogy h GLY 687 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.81 1ogy h GLY 687 CO 0.78 0.00 -0.31 -1.36 0.00 0.00 0.00 176.54 175.65 1ogy s PHE 688 N -3.24 3.53 -0.05 5.60 0.40 -0.61 -4.78 117.98 118.82 1ogy s PHE 688 Ca 0.07 0.62 -0.24 0.00 -0.60 0.00 0.00 56.93 56.79 1ogy s PHE 688 Cb 0.10 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1ogy s PHE 688 CO 0.56 0.50 0.72 -1.58 0.70 0.00 0.00 175.22 176.11 1ogy s TRP 689 N -1.50 3.60 -0.47 0.36 0.52 0.79 -0.29 118.94 121.94 1ogy s TRP 689 Ca 0.36 1.29 -0.11 0.00 0.02 0.00 0.00 56.10 57.65 1ogy s TRP 689 Cb -0.13 -2.82 0.11 0.00 -1.15 0.00 0.00 33.47 29.48 1ogy s TRP 689 CO 0.21 0.11 0.36 -1.17 0.02 0.00 0.00 176.95 176.48 1ogy s LEU 690 N 0.71 5.67 0.05 2.99 2.96 0.16 -0.81 118.68 130.40 1ogy s LEU 690 Ca 0.38 -1.72 -0.13 0.00 -0.22 0.00 0.00 54.13 52.44 1ogy s LEU 690 Cb -0.18 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 1ogy s LEU 690 CO 0.19 -0.69 0.44 -0.69 -1.32 0.00 0.00 176.35 174.28 1ogy s VAL 691 N 1.46 5.01 -0.02 1.68 1.01 0.17 -3.17 120.40 126.54 1ogy s VAL 691 Ca 0.04 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1ogy s VAL 691 Cb -0.26 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1ogy s VAL 691 CO 0.02 0.42 -0.12 -0.89 0.00 0.00 0.00 175.10 174.53 1ogy s THR 692 N -1.25 1.02 0.00 3.92 2.01 -1.21 -2.16 115.64 117.96 1ogy s THR 692 Ca 0.29 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1ogy s THR 692 Cb -0.16 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1ogy s THR 692 CO 0.16 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1ogy n GLY 693 N 3.01 3.15 3.45 4.40 0.00 -1.18 -4.67 105.19 113.34 1ogy n GLY 693 Ca -0.16 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1ogy n GLY 693 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogy s ARG 694 N 4.79 1.93 0.01 1.61 0.52 -1.26 -2.98 118.95 123.57 1ogy s ARG 694 Ca 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 55.73 53.04 1ogy s ARG 694 Cb 0.00 -0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.21 1ogy s ARG 694 CO 0.00 -0.59 -0.01 0.08 0.02 0.00 0.00 175.30 174.80 1ogy s VAL 695 N -3.25 0.08 0.26 3.52 1.01 -1.26 -4.92 120.40 115.84 1ogy s VAL 695 Ca 0.28 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1ogy s VAL 695 Cb 0.01 -0.11 0.38 0.00 0.00 0.00 0.00 36.38 36.66 1ogy s VAL 695 CO 0.20 -0.10 1.57 0.25 0.00 0.00 0.00 175.10 177.01 1ogy h LEU 696 N 5.78 -0.98 -1.27 3.92 5.85 -1.97 -1.46 115.31 125.18 1ogy h LEU 696 Ca -0.26 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ogy h LEU 696 Cb 1.21 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1ogy h LEU 696 CO 0.49 -0.31 0.00 -0.33 -0.34 0.00 0.00 178.44 177.95 1ogy h GLU 697 N -0.01 0.00 -5.76 1.25 3.07 -1.94 -3.44 114.58 107.76 1ogy h GLU 697 Ca 0.42 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.74 1ogy h GLU 697 Cb 0.67 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.30 1ogy h GLU 697 CO -0.96 0.00 -0.83 -1.01 -1.40 0.00 0.00 179.01 174.81 1ogy s HIS 698 N -3.55 1.61 -0.32 4.33 3.76 -0.55 -4.88 115.29 115.69 1ogy s HIS 698 Ca 0.02 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.50 1ogy s HIS 698 Cb 0.09 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.77 1ogy s HIS 698 CO 0.45 0.01 0.16 -0.46 -0.85 0.00 0.00 174.74 174.05 1ogy s TRP 699 N -0.57 3.18 0.00 1.40 -0.11 -1.26 -4.40 118.94 117.18 1ogy s TRP 699 Ca 0.06 -0.57 0.00 0.00 1.22 0.00 0.00 56.10 56.82 1ogy s TRP 699 Cb -0.07 -2.36 0.00 0.00 -1.50 0.00 0.00 33.47 29.53 1ogy s TRP 699 CO 0.00 -0.46 0.00 0.72 -4.62 0.00 0.00 176.95 172.59 1ogy n HIS 700 N 4.99 0.00 0.71 5.86 8.25 -1.26 -0.89 115.22 132.88 1ogy n HIS 700 Ca -0.14 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.42 1ogy n HIS 700 Cb 0.49 0.00 0.42 0.00 1.12 0.00 0.00 29.99 32.02 1ogy n HIS 700 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ogy n SER 701 N 4.85 0.00 0.00 0.41 7.64 -1.26 -3.06 113.62 122.19 1ogy n SER 701 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1ogy n SER 701 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1ogy n SER 701 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ogy n GLY 702 N 0.46 0.23 0.29 0.23 0.00 -0.07 -4.60 105.19 101.73 1ogy n GLY 702 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1ogy n GLY 702 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ogy h SER 703 N 0.00 0.00 0.00 1.61 4.64 -1.87 0.27 113.55 118.19 1ogy h SER 703 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1ogy h SER 703 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 1ogy h SER 703 CO 0.00 0.04 -2.00 0.23 -0.87 0.00 0.00 176.83 174.23 1ogy n MET 704 N -3.58 0.39 0.13 4.77 2.00 -1.26 -4.56 117.12 115.01 1ogy n MET 704 Ca -0.02 0.16 -0.01 0.00 0.00 0.00 0.00 57.70 57.83 1ogy n MET 704 Cb 0.14 -1.17 0.14 0.00 0.00 0.00 0.00 33.22 32.34 1ogy n MET 704 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1ogy h THR 705 N -0.55 1.34 0.00 2.03 1.35 -1.83 -2.41 112.91 112.83 1ogy h THR 705 Ca -0.44 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1ogy h THR 705 Cb 1.42 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 1ogy h THR 705 CO -0.25 0.62 0.00 0.18 -0.25 0.00 0.00 175.52 175.82 1ogy n LEU 706 N -3.62 0.00 -0.01 3.87 4.77 0.94 -2.12 117.00 120.83 1ogy n LEU 706 Ca -0.01 0.17 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1ogy n LEU 706 Cb 0.66 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1ogy n LEU 706 CO 0.42 -0.07 -0.64 0.54 -1.33 0.00 0.00 177.39 176.31 1ogy n ARG 707 N -1.17 0.61 -2.66 3.23 1.74 -0.92 -4.71 116.66 112.78 1ogy n ARG 707 Ca 0.10 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 1ogy n ARG 707 Cb 0.11 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1ogy n ARG 707 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ogy s TRP 708 N -3.10 3.11 0.19 -1.55 0.51 -0.90 -4.84 118.94 112.35 1ogy s TRP 708 Ca -0.05 1.08 -0.18 0.00 -2.12 0.00 0.00 56.10 54.84 1ogy s TRP 708 Cb 0.11 -3.75 0.15 0.00 -0.81 0.00 0.00 33.47 29.17 1ogy s TRP 708 CO 0.69 -0.82 1.62 -1.35 -0.51 0.00 0.00 176.95 176.58 1ogy h PRO 709 N 8.26 -0.10 0.00 4.98 0.11 -1.88 -1.30 132.00 142.07 1ogy h PRO 709 Ca -0.21 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1ogy h PRO 709 Cb 1.06 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ogy h PRO 709 CO 1.03 -0.07 -0.21 1.05 -0.21 0.00 0.00 178.00 179.60 1ogy h GLU 710 N -0.11 0.00 0.04 1.05 9.09 -1.93 0.31 114.58 123.04 1ogy h GLU 710 Ca 0.24 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.48 1ogy h GLU 710 Cb 0.48 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.59 1ogy h GLU 710 CO -0.59 0.21 -0.70 -0.07 0.05 0.00 0.00 179.01 177.91 1ogy h LEU 711 N 0.00 0.54 0.68 3.06 3.38 -1.69 -1.80 115.31 119.49 1ogy h LEU 711 Ca -0.00 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1ogy h LEU 711 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ogy h LEU 711 CO 0.03 1.29 -0.38 0.22 0.09 0.00 0.00 178.44 179.69 1ogy h TYR 712 N -0.14 -1.01 -1.00 1.13 3.20 -0.94 -2.42 116.97 115.78 1ogy h TYR 712 Ca -0.10 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 61.99 1ogy h TYR 712 Cb 1.44 0.35 -0.10 0.00 1.54 0.00 0.00 36.73 39.96 1ogy h TYR 712 CO 0.16 -0.59 0.63 0.87 -1.64 0.00 0.00 178.16 177.58 1ogy h LYS 713 N -0.99 0.53 0.00 1.82 1.57 -1.04 0.64 116.57 119.11 1ogy h LYS 713 Ca -0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1ogy h LYS 713 Cb 0.79 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ogy h LYS 713 CO 0.11 0.35 -0.11 0.00 -0.57 0.00 0.00 179.45 179.23 1ogy h ALA 714 N 1.65 1.54 -0.24 3.86 0.00 -0.84 -3.36 119.26 121.87 1ogy h ALA 714 Ca 0.58 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.24 1ogy h ALA 714 Cb 1.22 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1ogy h ALA 714 CO -0.34 0.14 -0.35 0.34 0.00 0.00 0.00 179.25 179.04 1ogy n PHE 715 N -4.00 -2.55 -0.15 0.00 -0.00 0.02 -5.07 117.46 105.70 1ogy n PHE 715 Ca -0.02 -1.31 -0.03 0.00 -0.00 0.00 0.00 57.45 56.08 1ogy n PHE 715 Cb 0.20 1.39 0.03 0.00 -0.00 0.00 0.00 39.48 41.11 1ogy n PHE 715 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ogy h PRO 716 N 4.05 -0.02 -4.45 -7.13 0.13 0.02 -3.45 132.00 121.16 1ogy h PRO 716 Ca -0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.83 1ogy h PRO 716 Cb 1.10 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.08 1ogy h PRO 716 CO 0.10 -0.01 -0.65 0.20 -0.23 0.00 0.00 178.00 177.41 1ogy s GLY 717 N -3.20 1.00 0.88 1.56 0.00 -1.26 -4.99 107.32 101.31 1ogy s GLY 717 Ca -0.14 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 42.99 1ogy s GLY 717 CO 0.72 -1.37 1.10 0.00 0.00 0.00 0.00 173.10 173.55 1ogy n ALA 718 N -0.10 -0.71 -3.18 3.20 0.00 -1.26 -5.06 120.51 113.41 1ogy n ALA 718 Ca -0.06 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 1ogy n ALA 718 Cb 0.64 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.83 1ogy n ALA 718 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ogy s VAL 719 N -2.44 0.06 -0.30 0.00 1.01 -1.26 -4.39 120.40 113.08 1ogy s VAL 719 Ca 0.68 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1ogy s VAL 719 Cb -0.25 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1ogy s VAL 719 CO 0.56 -0.28 0.32 0.00 0.00 0.00 0.00 175.10 175.71 1ogy s PHE 721 N 1.97 3.56 0.25 0.00 0.40 -0.03 -0.59 117.98 123.55 1ogy s PHE 721 Ca 0.12 1.32 0.02 0.00 -0.60 0.00 0.00 56.93 57.79 1ogy s PHE 721 Cb -0.16 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 1ogy s PHE 721 CO 0.11 0.01 0.15 1.41 0.70 0.00 0.00 175.22 177.60 1ogy s MET 722 N 1.09 1.41 0.28 0.44 1.75 -1.07 -2.12 119.30 121.09 1ogy s MET 722 Ca 0.40 -1.78 -0.28 0.00 -1.25 0.00 0.00 55.69 52.78 1ogy s MET 722 Cb -0.18 0.07 -0.09 0.00 2.84 0.00 0.00 34.83 37.47 1ogy s MET 722 CO 0.19 -0.42 0.98 -1.58 -0.65 0.00 0.00 175.02 173.54 1ogy s HIS 723 N -3.85 3.77 0.54 4.11 2.46 -1.26 -4.51 115.29 116.55 1ogy s HIS 723 Ca 0.38 1.82 0.22 0.00 0.47 0.00 0.00 55.06 57.95 1ogy s HIS 723 Cb 0.06 -3.03 1.39 0.00 -0.13 0.00 0.00 32.58 30.87 1ogy s HIS 723 CO 0.16 0.12 2.09 -1.00 -2.47 0.00 0.00 174.74 173.64 1ogy h PRO 724 N 3.68 0.00 0.03 2.88 0.13 -1.96 -2.37 132.00 134.39 1ogy h PRO 724 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 1ogy h PRO 724 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1ogy h PRO 724 CO 0.66 0.00 -1.77 -1.91 -0.23 0.00 0.00 178.00 174.76 1ogy n GLU 725 N -4.36 0.66 0.04 0.86 2.13 -1.26 -2.79 120.64 115.93 1ogy n GLU 725 Ca 0.02 0.29 0.05 0.00 0.66 0.00 0.00 57.16 58.18 1ogy n GLU 725 Cb 0.31 -1.78 0.23 0.00 0.27 0.00 0.00 31.44 30.47 1ogy n GLU 725 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ogy n ASP 726 N -3.15 0.17 -0.11 4.31 9.92 -0.93 -1.98 116.55 124.79 1ogy n ASP 726 Ca -0.20 0.57 -0.19 0.00 -0.53 0.00 0.00 54.79 54.43 1ogy n ASP 726 Cb 1.05 -0.59 -0.08 0.00 -0.64 0.00 0.00 41.12 40.86 1ogy n ASP 726 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ogy n ALA 727 N -1.58 0.88 -0.24 2.24 0.00 -1.00 -3.99 120.51 116.82 1ogy n ALA 727 Ca 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 1ogy n ALA 727 Cb 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 19.45 19.41 1ogy n ALA 727 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy h ARG 728 N -1.00 -0.10 -0.48 0.00 3.08 -1.28 -0.04 114.38 114.56 1ogy h ARG 728 Ca -0.35 0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.81 1ogy h ARG 728 Cb 1.21 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.19 1ogy h ARG 728 CO -0.21 -0.07 -0.18 0.66 -1.07 0.00 0.00 179.97 179.11 1ogy h SER 729 N -0.11 -0.62 0.00 7.04 4.64 -1.61 0.24 113.55 123.13 1ogy h SER 729 Ca 0.28 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1ogy h SER 729 Cb 0.56 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ogy h SER 729 CO -0.74 -0.21 0.00 0.54 -0.87 0.00 0.00 176.83 175.55 1ogy n ARG 730 N -5.38 0.89 -1.90 4.77 1.74 -0.61 -4.84 116.66 111.33 1ogy n ARG 730 Ca 0.04 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 1ogy n ARG 730 Cb 0.29 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 1ogy n ARG 730 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 731 N 0.54 0.31 3.78 -0.13 0.00 0.83 -5.00 105.19 105.52 1ogy n GLY 731 Ca 0.08 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1ogy n GLY 731 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 732 N -2.31 3.86 0.00 0.99 1.02 -0.13 -4.99 118.68 117.12 1ogy s LEU 732 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.25 1ogy s LEU 732 Cb 0.00 -2.34 -0.00 0.00 0.02 0.00 0.00 46.19 43.87 1ogy s LEU 732 CO 0.00 0.24 0.02 0.59 0.02 0.00 0.00 176.35 177.22 1ogy n ASN 733 N 0.97 3.01 -4.70 2.29 5.03 -1.26 -3.19 115.26 117.41 1ogy n ASN 733 Ca -0.12 -3.00 -0.42 0.00 0.87 0.00 0.00 54.58 51.91 1ogy n ASN 733 Cb 0.52 0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 39.65 1ogy n ASN 733 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1ogy s ARG 734 N -3.62 4.39 0.00 3.52 3.52 -1.26 -2.85 118.95 122.65 1ogy s ARG 734 Ca 0.02 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.39 1ogy s ARG 734 Cb 0.00 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1ogy s ARG 734 CO 0.02 -0.35 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 1ogy n GLY 735 N 3.31 1.94 3.74 8.12 0.00 -0.91 -4.99 105.19 116.41 1ogy n GLY 735 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1ogy n GLY 735 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ogy n SER 736 N 0.00 3.00 -4.48 1.61 7.64 -1.13 -4.56 113.62 115.69 1ogy n SER 736 Ca 0.00 1.08 -0.43 0.00 1.01 0.00 0.00 58.87 60.53 1ogy n SER 736 Cb 0.00 -1.58 -0.04 0.00 -1.01 0.00 0.00 64.21 61.58 1ogy n SER 736 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ogy s GLU 737 N -2.52 3.22 0.33 1.43 2.12 -1.26 -0.77 118.70 121.24 1ogy s GLU 737 Ca 0.64 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.47 1ogy s GLU 737 Cb -0.45 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 29.80 1ogy s GLU 737 CO 0.55 -1.55 0.42 0.14 -0.54 0.00 0.00 175.26 174.28 1ogy s VAL 738 N 3.75 4.03 -0.26 3.70 -7.23 -0.81 -4.50 120.40 119.08 1ogy s VAL 738 Ca 0.25 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1ogy s VAL 738 Cb -0.15 -3.39 0.04 0.00 0.56 0.00 0.00 36.38 33.45 1ogy s VAL 738 CO 0.15 -0.18 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.56 1ogy s ARG 739 N -4.11 2.52 -0.34 4.82 0.52 0.69 -2.64 118.95 120.41 1ogy s ARG 739 Ca 0.43 -1.18 -0.22 0.00 -0.52 0.00 0.00 55.73 54.25 1ogy s ARG 739 Cb -0.09 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1ogy s ARG 739 CO 0.30 -0.51 0.70 0.08 0.02 0.00 0.00 175.30 175.89 1ogy s VAL 740 N 1.22 4.84 0.03 3.52 1.01 -0.54 -2.80 120.40 127.69 1ogy s VAL 740 Ca -0.04 0.82 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1ogy s VAL 740 Cb -0.18 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1ogy s VAL 740 CO -0.04 -0.30 -0.26 -0.63 0.00 0.00 0.00 175.10 173.87 1ogy s ILE 741 N 2.83 2.17 0.34 2.22 1.01 0.10 -1.69 121.20 128.19 1ogy s ILE 741 Ca 0.28 -1.31 0.05 0.00 0.00 0.00 0.00 60.65 59.67 1ogy s ILE 741 Cb -0.14 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1ogy s ILE 741 CO 0.14 0.41 0.21 -0.44 0.00 0.00 0.00 174.94 175.27 1ogy s SER 742 N -1.11 1.90 0.00 3.58 0.01 0.34 -0.23 113.70 118.19 1ogy s SER 742 Ca 0.12 -1.69 0.15 0.00 1.31 0.00 0.00 55.95 55.84 1ogy s SER 742 Cb -0.10 0.51 0.69 0.00 0.21 0.00 0.00 66.02 67.33 1ogy s SER 742 CO 0.02 -0.99 1.46 0.54 0.41 0.00 0.00 173.24 174.68 1ogy n ARG 743 N -0.68 0.07 -0.03 12.44 1.74 -1.26 -3.22 116.66 125.72 1ogy n ARG 743 Ca 0.02 0.21 -0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1ogy n ARG 743 Cb 0.64 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 1ogy n ARG 743 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ogy n ARG 744 N -1.43 1.50 -3.97 5.56 1.74 -1.26 -5.12 116.66 113.68 1ogy n ARG 744 Ca 0.05 -0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1ogy n ARG 744 Cb 0.16 -1.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1ogy n ARG 744 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ogy s GLY 745 N -3.70 -0.21 0.06 -0.13 0.00 -1.20 -4.76 107.32 97.39 1ogy s GLY 745 Ca -0.04 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.88 1ogy s GLY 745 CO 0.40 5.78 -0.06 -0.54 0.00 0.00 0.00 173.10 178.68 1ogy s GLU 746 N -2.02 0.64 0.10 2.90 2.02 -1.26 -0.50 118.70 120.57 1ogy s GLU 746 Ca 0.30 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1ogy s GLU 746 Cb 0.01 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 1ogy s GLU 746 CO -0.02 -0.02 0.01 0.42 0.02 0.00 0.00 175.26 175.66 1ogy s ILE 747 N -2.78 0.22 -0.23 -1.63 1.01 -0.68 -4.90 121.20 112.22 1ogy s ILE 747 Ca 0.01 -1.87 0.02 0.00 0.00 0.00 0.00 60.65 58.80 1ogy s ILE 747 Cb -0.00 -1.81 0.05 0.00 0.01 0.00 0.00 42.46 40.71 1ogy s ILE 747 CO -0.04 -0.72 -0.10 -0.13 0.00 0.00 0.00 174.94 173.95 1ogy s ARG 748 N -3.97 2.09 0.31 2.79 0.52 -1.26 -1.46 118.95 117.98 1ogy s ARG 748 Ca 0.16 -1.04 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1ogy s ARG 748 Cb 0.07 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.86 1ogy s ARG 748 CO -0.03 -0.49 0.02 0.95 0.02 0.00 0.00 175.30 175.77 1ogy s THR 749 N 1.29 1.33 0.15 0.02 -4.23 -1.08 -4.90 115.64 108.22 1ogy s THR 749 Ca -0.04 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1ogy s THR 749 Cb -0.18 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1ogy s THR 749 CO -0.07 -0.09 0.22 -0.13 -0.54 0.00 0.00 174.62 174.01 1ogy s ARG 750 N -3.84 3.21 0.48 3.99 0.52 -1.26 -1.92 118.95 120.13 1ogy s ARG 750 Ca 0.34 -0.70 -0.21 0.00 -0.52 0.00 0.00 55.73 54.64 1ogy s ARG 750 Cb 0.08 -2.84 -0.08 0.00 0.52 0.00 0.00 34.95 32.63 1ogy s ARG 750 CO 0.14 0.51 1.07 -1.17 0.02 0.00 0.00 175.30 175.87 1ogy s LEU 751 N -3.15 3.89 -0.19 2.53 2.96 0.05 -0.81 118.68 123.96 1ogy s LEU 751 Ca 0.33 2.02 -0.04 0.00 -0.22 0.00 0.00 54.13 56.22 1ogy s LEU 751 Cb -0.11 -4.47 0.10 0.00 0.50 0.00 0.00 46.19 42.20 1ogy s LEU 751 CO 0.26 -0.82 0.29 -0.70 -1.32 0.00 0.00 176.35 174.07 1ogy s GLU 752 N -3.07 0.23 0.17 1.98 2.12 0.24 -2.13 118.70 118.24 1ogy s GLU 752 Ca 0.66 0.51 0.09 0.00 0.36 0.00 0.00 54.97 56.59 1ogy s GLU 752 Cb -0.20 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.58 1ogy s GLU 752 CO 0.23 -0.52 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.24 1ogy s THR 753 N 2.43 3.11 -0.27 -1.70 -1.32 -1.26 -2.60 115.64 114.04 1ogy s THR 753 Ca 0.06 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1ogy s THR 753 Cb -0.14 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1ogy s THR 753 CO -0.12 -0.07 0.00 0.54 -2.21 0.00 0.00 174.62 172.75 1ogy n ARG 754 N 0.17 -0.19 -0.14 7.08 1.74 -1.26 -4.97 116.66 119.10 1ogy n ARG 754 Ca -0.11 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1ogy n ARG 754 Cb 0.55 -4.10 0.00 0.00 -1.02 0.00 0.00 32.46 27.89 1ogy n ARG 754 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 755 N -2.27 0.80 0.21 -0.13 0.00 -1.26 -5.01 105.19 97.52 1ogy n GLY 755 Ca -0.03 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1ogy n GLY 755 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ogy h ARG 756 N 0.00 0.69 -6.00 1.61 0.11 -1.96 -3.40 114.38 105.43 1ogy h ARG 756 Ca 0.00 -0.30 -0.60 0.00 0.10 0.00 0.00 59.98 59.18 1ogy h ARG 756 Cb 0.00 -0.02 -0.10 0.00 1.11 0.00 0.00 29.97 30.96 1ogy h ARG 756 CO 0.00 0.90 0.54 -0.80 0.10 0.00 0.00 179.97 180.71 1ogy s ASN 757 N -6.39 6.65 -0.69 0.08 0.01 -1.26 -4.40 114.94 108.94 1ogy s ASN 757 Ca -0.13 0.54 -0.18 0.00 -0.71 0.00 0.00 52.86 52.38 1ogy s ASN 757 Cb 0.09 -2.45 0.13 0.00 0.41 0.00 0.00 41.25 39.43 1ogy s ASN 757 CO 0.81 -0.81 0.78 -0.13 -1.51 0.00 0.00 177.10 176.24 1ogy s ARG 758 N 3.35 3.23 0.56 -0.60 0.52 1.00 -4.79 118.95 122.22 1ogy s ARG 758 Ca 0.36 -1.61 -0.19 0.00 -0.52 0.00 0.00 55.73 53.77 1ogy s ARG 758 Cb -0.12 -4.40 -0.05 0.00 0.52 0.00 0.00 34.95 30.89 1ogy s ARG 758 CO 0.18 -1.53 1.13 -1.64 0.02 0.00 0.00 175.30 173.46 1ogy s MET 759 N 2.20 3.26 0.47 3.54 -1.94 -1.26 -2.32 119.30 123.24 1ogy s MET 759 Ca 0.16 1.60 -0.04 0.00 -1.71 0.00 0.00 55.69 55.69 1ogy s MET 759 Cb -0.19 -1.99 -0.03 0.00 2.01 0.00 0.00 34.83 34.63 1ogy s MET 759 CO 0.01 -0.92 0.75 -2.14 -0.01 0.00 0.00 175.02 172.70 1ogy s PRO 760 N -3.40 3.43 0.18 2.03 0.02 -1.26 -4.59 135.00 131.42 1ogy s PRO 760 Ca 0.72 0.04 -0.32 0.00 0.02 0.00 0.00 61.00 61.46 1ogy s PRO 760 Cb -0.24 -2.43 -0.11 0.00 0.02 0.00 0.00 34.50 31.74 1ogy s PRO 760 CO 0.29 -0.20 1.70 1.03 -0.33 0.00 0.00 177.00 179.50 1ogy s ARG 761 N -4.68 4.15 0.00 5.54 0.52 -1.26 -1.87 118.95 121.35 1ogy s ARG 761 Ca 0.47 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 58.22 1ogy s ARG 761 Cb -0.10 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1ogy s ARG 761 CO 0.43 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 175.43 1ogy n GLY 762 N 3.97 0.66 3.29 -3.53 0.00 -1.26 -5.06 105.19 103.26 1ogy n GLY 762 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1ogy n GLY 762 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogy s VAL 763 N -2.39 2.18 0.04 1.61 1.01 -0.78 -0.15 120.40 121.92 1ogy s VAL 763 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1ogy s VAL 763 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1ogy s VAL 763 CO 0.00 0.57 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1ogy s VAL 764 N -0.22 1.18 -0.07 2.92 1.01 0.01 -4.41 120.40 120.82 1ogy s VAL 764 Ca -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1ogy s VAL 764 Cb -0.13 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1ogy s VAL 764 CO 0.03 0.01 -0.12 0.12 0.00 0.00 0.00 175.10 175.15 1ogy s PHE 765 N -0.87 1.47 -0.07 5.22 5.36 -0.90 -0.65 117.98 127.54 1ogy s PHE 765 Ca 0.02 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.44 1ogy s PHE 765 Cb -0.08 -1.09 0.02 0.00 -0.34 0.00 0.00 43.02 41.52 1ogy s PHE 765 CO 0.01 -0.30 -0.10 0.14 -1.46 0.00 0.00 175.22 173.51 1ogy s VAL 766 N 0.77 1.01 0.48 3.12 -7.23 -0.92 -0.85 120.40 116.79 1ogy s VAL 766 Ca -0.12 -0.39 -0.19 0.00 -1.81 0.00 0.00 61.98 59.46 1ogy s VAL 766 Cb -0.15 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 1ogy s VAL 766 CO 0.02 0.33 1.00 -2.16 -0.31 0.00 0.00 175.10 173.99 1ogy s PRO 767 N 0.87 3.93 -0.01 4.82 0.04 -1.26 -3.13 135.00 140.25 1ogy s PRO 767 Ca -0.11 1.19 0.22 0.00 0.04 0.00 0.00 61.00 62.34 1ogy s PRO 767 Cb -0.15 -2.13 0.64 0.00 0.04 0.00 0.00 34.50 32.91 1ogy s PRO 767 CO 0.01 -0.30 1.54 -2.67 0.04 0.00 0.00 177.00 175.62 1ogy n TRP 768 N -1.07 1.00 0.31 0.56 4.27 -1.16 -4.62 117.44 116.73 1ogy n TRP 768 Ca 0.08 -0.51 0.20 0.00 -3.89 0.00 0.00 57.50 53.38 1ogy n TRP 768 Cb 0.53 -0.02 0.98 0.00 -1.36 0.00 0.00 31.31 31.44 1ogy n TRP 768 CO 0.00 0.00 0.00 0.27 -2.29 0.00 0.00 177.69 175.67 1ogy h PHE 769 N 4.20 0.00 -3.61 -2.67 -0.00 -1.84 -3.43 116.94 109.59 1ogy h PHE 769 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.97 57.34 1ogy h PHE 769 Cb 1.01 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 36.83 1ogy h PHE 769 CO 0.50 0.00 0.32 0.34 -0.00 0.00 0.00 178.31 179.47 1ogy s ASP 770 N -5.34 6.42 0.47 -0.68 3.68 -1.26 -3.80 116.67 116.15 1ogy s ASP 770 Ca -0.02 -0.08 0.32 0.00 2.13 0.00 0.00 52.55 54.90 1ogy s ASP 770 Cb 0.11 -2.38 1.44 0.00 -1.45 0.00 0.00 42.92 40.65 1ogy s ASP 770 CO 0.46 -0.86 1.95 0.00 0.13 0.00 0.00 175.17 176.85 1ogy h ALA 771 N 8.89 1.00 -0.06 3.66 0.00 -1.83 0.31 119.26 131.22 1ogy h ALA 771 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1ogy h ALA 771 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ogy h ALA 771 CO 0.94 0.00 -0.70 0.66 0.00 0.00 0.00 179.25 180.15 1ogy h SER 772 N 0.00 0.37 -2.97 0.00 4.64 -1.97 -3.35 113.55 110.27 1ogy h SER 772 Ca 0.00 -0.24 -0.72 0.00 -0.47 0.00 0.00 61.79 60.36 1ogy h SER 772 Cb 0.33 -0.11 -0.34 0.00 -0.31 0.00 0.00 62.40 61.97 1ogy h SER 772 CO 0.00 0.96 0.11 0.00 -0.87 0.00 0.00 176.83 177.02 1ogy n GLN 773 N -3.82 3.24 -2.14 4.77 6.02 0.10 -4.97 117.38 120.58 1ogy n GLN 773 Ca -0.03 -4.55 -0.30 0.00 -0.01 0.00 0.00 57.00 52.11 1ogy n GLN 773 Cb 0.69 -2.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.48 1ogy n GLN 773 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ogy s LEU 774 N -2.05 3.19 0.54 1.08 1.43 -1.24 -4.69 118.68 116.95 1ogy s LEU 774 Ca 0.32 -1.40 0.28 0.00 -1.03 0.00 0.00 54.13 52.29 1ogy s LEU 774 Cb 0.01 -2.58 1.57 0.00 0.03 0.00 0.00 46.19 45.23 1ogy s LEU 774 CO -0.03 -2.70 2.13 0.40 0.23 0.00 0.00 176.35 176.38 1ogy h ILE 775 N 6.51 0.55 0.00 -0.59 2.04 -1.90 -2.11 117.51 122.01 1ogy h ILE 775 Ca 0.20 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ogy h ILE 775 Cb 0.96 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1ogy h ILE 775 CO 1.25 0.08 0.00 0.59 0.00 0.00 0.00 178.15 180.07 1ogy n ASN 776 N -3.71 0.00 0.11 1.72 3.02 -1.26 0.00 115.26 115.15 1ogy n ASN 776 Ca -0.02 -0.42 -0.20 0.00 -0.03 0.00 0.00 54.58 53.91 1ogy n ASN 776 Cb 0.19 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 1ogy n ASN 776 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ogy h LYS 777 N 0.00 0.38 0.00 3.52 1.57 -1.71 0.06 116.57 120.39 1ogy h LYS 777 Ca 0.00 -0.65 -0.13 0.00 -1.87 0.00 0.00 60.65 58.01 1ogy h LYS 777 Cb 0.00 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1ogy h LYS 777 CO 0.00 1.29 -0.60 0.28 -0.57 0.00 0.00 179.45 179.85 1ogy h VAL 778 N 0.10 1.26 -3.97 0.50 2.07 -0.60 -3.31 116.25 112.30 1ogy h VAL 778 Ca -0.22 -2.19 -0.51 0.00 0.82 0.00 0.00 66.70 64.61 1ogy h VAL 778 Cb 2.07 2.24 0.06 0.00 -1.52 0.00 0.00 31.29 34.13 1ogy h VAL 778 CO 0.22 0.59 0.50 -0.89 0.02 0.00 0.00 177.57 178.01 1ogy s THR 779 N -3.37 3.12 -0.06 2.57 2.01 -1.03 -4.66 115.64 114.22 1ogy s THR 779 Ca 0.00 0.89 -0.19 0.00 0.31 0.00 0.00 61.69 62.70 1ogy s THR 779 Cb 0.11 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1ogy s THR 779 CO 0.75 0.04 0.52 -0.22 -0.69 0.00 0.00 174.62 175.01 1ogy s LEU 780 N -2.76 4.35 0.00 4.42 2.96 -1.26 -2.93 118.68 123.45 1ogy s LEU 780 Ca 0.60 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1ogy s LEU 780 Cb -0.30 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1ogy s LEU 780 CO 0.37 0.07 0.26 -0.67 -1.32 0.00 0.00 176.35 175.06 1ogy n ASP 781 N 3.11 0.00 -4.77 3.68 -0.08 -1.26 -4.62 116.55 112.60 1ogy n ASP 781 Ca -0.08 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.84 1ogy n ASP 781 Cb 0.51 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.96 1ogy n ASP 781 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ogy s ALA 782 N -1.78 3.01 0.36 -1.67 0.00 -1.26 -4.78 121.76 115.65 1ogy s ALA 782 Ca 0.00 0.86 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1ogy s ALA 782 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1ogy s ALA 782 CO 0.00 -0.52 0.08 -0.80 0.00 0.00 0.00 175.76 174.52 1ogy s ASN 783 N -1.42 2.60 -0.46 0.00 0.02 -1.25 -0.01 114.94 114.42 1ogy s ASN 783 Ca 0.62 -1.50 -0.24 0.00 -1.02 0.00 0.00 52.86 50.72 1ogy s ASN 783 Cb -0.26 0.16 0.03 0.00 0.02 0.00 0.00 41.25 41.19 1ogy s ASN 783 CO 0.32 -0.74 0.86 -0.62 0.02 0.00 0.00 177.10 176.94 1ogy s ASP 784 N -3.55 6.45 0.46 -1.22 2.15 -0.96 -2.95 116.67 117.05 1ogy s ASP 784 Ca 0.30 -0.01 0.09 0.00 0.43 0.00 0.00 52.55 53.36 1ogy s ASP 784 Cb 0.06 -2.42 0.52 0.00 -0.30 0.00 0.00 42.92 40.78 1ogy s ASP 784 CO 0.14 -0.99 1.19 1.55 -0.17 0.00 0.00 175.17 176.89 1ogy h PRO 785 N 9.04 0.00 0.00 4.34 0.13 -1.89 0.82 132.00 144.44 1ogy h PRO 785 Ca -0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.62 1ogy h PRO 785 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1ogy h PRO 785 CO 1.00 0.00 -1.48 -0.89 -0.23 0.00 0.00 178.00 176.39 1ogy n ILE 786 N -2.21 1.53 0.04 -3.56 5.41 -1.26 -4.54 119.36 114.77 1ogy n ILE 786 Ca -0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.62 1ogy n ILE 786 Cb 0.61 -2.02 -0.09 0.00 -0.71 0.00 0.00 39.64 37.42 1ogy n ILE 786 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1ogy h SER 787 N -1.00 0.00 -0.79 4.38 4.64 -1.77 -3.48 113.55 115.53 1ogy h SER 787 Ca -0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 1ogy h SER 787 Cb 1.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1ogy h SER 787 CO -0.25 0.82 -0.17 0.54 -0.87 0.00 0.00 176.83 176.91 1ogy n ARG 788 N -3.13 -0.54 -2.99 4.77 5.12 0.28 -4.75 116.66 115.42 1ogy n ARG 788 Ca -0.07 0.48 -0.42 0.00 -1.93 0.00 0.00 57.85 55.91 1ogy n ARG 788 Cb 0.92 -4.34 -0.05 0.00 -1.16 0.00 0.00 32.46 27.82 1ogy n ARG 788 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1ogy s GLN 789 N -3.77 3.78 0.72 5.56 0.74 -1.25 -4.73 119.66 120.70 1ogy s GLN 789 Ca 0.00 0.31 -0.16 0.00 0.05 0.00 0.00 55.36 55.56 1ogy s GLN 789 Cb 0.00 -3.79 0.03 0.00 1.10 0.00 0.00 33.01 30.34 1ogy s GLN 789 CO 0.00 -0.79 1.22 -2.37 -0.55 0.00 0.00 175.29 172.80 1ogy n THR 790 N 5.70 3.64 -3.59 -0.34 5.66 -1.26 -2.27 114.28 121.82 1ogy n THR 790 Ca 0.02 -0.38 -0.41 0.00 -3.05 0.00 0.00 64.05 60.24 1ogy n THR 790 Cb 0.48 -1.34 -0.10 0.00 -1.55 0.00 0.00 70.33 67.82 1ogy n THR 790 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ogy s ASP 791 N -1.68 5.70 0.00 1.09 -1.08 0.98 -4.55 116.67 117.13 1ogy s ASP 791 Ca 0.78 -1.31 0.24 0.00 -0.52 0.00 0.00 52.55 51.74 1ogy s ASP 791 Cb -0.34 -2.01 0.35 0.00 -1.46 0.00 0.00 42.92 39.46 1ogy s ASP 791 CO 0.45 -0.49 1.36 0.49 0.52 0.00 0.00 175.17 177.50 1ogy n PHE 792 N 4.96 0.31 1.31 -5.34 3.01 -1.26 -4.51 117.46 115.95 1ogy n PHE 792 Ca -0.11 -0.15 0.13 0.00 1.01 0.00 0.00 57.45 58.33 1ogy n PHE 792 Cb 0.44 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.34 1ogy n PHE 792 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ogy n LYS 793 N 1.42 1.00 -3.63 -1.08 4.76 -1.26 -3.28 118.16 116.08 1ogy n LYS 793 Ca 0.17 -0.57 -0.12 0.00 -2.87 0.00 0.00 58.31 54.92 1ogy n LYS 793 Cb 0.60 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 1ogy n LYS 793 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1ogy s LYS 794 N -2.39 0.68 -0.06 1.97 -2.85 -1.19 -4.01 119.74 111.89 1ogy s LYS 794 Ca 0.28 0.82 -0.31 0.00 -1.00 0.00 0.00 55.97 55.75 1ogy s LYS 794 Cb 0.20 0.33 0.12 0.00 -2.06 0.00 0.00 37.83 36.42 1ogy s LYS 794 CO 0.48 -0.08 1.18 0.00 0.10 0.00 0.00 175.35 177.02 1ogy s ALA 796 N -2.61 3.52 0.01 0.00 0.00 -1.26 -0.67 121.76 120.77 1ogy s ALA 796 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1ogy s ALA 796 Cb 0.01 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1ogy s ALA 796 CO -0.04 0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.97 1ogy s VAL 797 N -0.16 0.08 0.12 0.00 1.01 0.61 -4.73 120.40 117.33 1ogy s VAL 797 Ca 0.28 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1ogy s VAL 797 Cb -0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1ogy s VAL 797 CO 0.15 -0.37 -0.08 -0.75 0.00 0.00 0.00 175.10 174.05 1ogy s LYS 798 N -1.09 2.19 -0.09 2.72 2.20 0.67 -1.58 119.74 124.76 1ogy s LYS 798 Ca -0.12 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1ogy s LYS 798 Cb -0.07 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.95 1ogy s LYS 798 CO -0.01 0.50 -0.08 0.42 -0.36 0.00 0.00 175.35 175.82 1ogy s ILE 799 N -1.32 0.96 0.12 5.43 1.01 -1.25 0.02 121.20 126.16 1ogy s ILE 799 Ca 0.23 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.62 1ogy s ILE 799 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 1ogy s ILE 799 CO 0.15 0.34 -0.09 -1.61 0.00 0.00 0.00 174.94 173.73 1ogy s GLU 800 N 1.39 0.93 0.00 2.79 0.41 -1.12 -4.92 118.70 118.18 1ogy s GLU 800 Ca -0.01 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 1ogy s GLU 800 Cb -0.13 -0.48 0.00 0.00 -1.78 0.00 0.00 34.13 31.74 1ogy s GLU 800 CO -0.04 0.05 0.00 0.00 -0.49 0.00 0.00 175.26 174.78