#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrb s ARG 5 N 0.00 4.26 0.94 3.44 3.52 -1.26 -5.03 118.95 124.82 3hrb s ARG 5 Ca 0.00 1.53 -0.12 0.00 -0.13 0.00 0.00 55.73 57.01 3hrb s ARG 5 Cb 0.00 -3.70 0.15 0.00 -1.56 0.00 0.00 34.95 29.85 3hrb s ARG 5 CO 0.00 -0.65 1.11 -1.25 -0.81 0.00 0.00 175.30 173.70 3hrb s PRO 6 N 3.26 0.92 -0.13 5.12 0.04 -1.26 -5.01 135.00 137.95 3hrb s PRO 6 Ca 0.50 0.49 -0.19 0.00 0.04 0.00 0.00 61.00 61.84 3hrb s PRO 6 Cb -0.19 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3hrb s PRO 6 CO 0.12 -2.39 0.52 0.99 0.04 0.00 0.00 177.00 176.28 3hrb s THR 7 N -3.08 5.15 0.11 1.26 2.01 -1.26 -5.00 115.64 114.82 3hrb s THR 7 Ca 0.64 1.03 0.02 0.00 0.31 0.00 0.00 61.69 63.69 3hrb s THR 7 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3hrb s THR 7 CO 0.56 0.28 0.21 -0.36 -0.69 0.00 0.00 174.62 174.62 3hrb s PHE 8 N 0.89 3.42 0.09 4.92 0.40 -1.26 -1.44 117.98 125.01 3hrb s PHE 8 Ca 0.27 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.81 3hrb s PHE 8 Cb -0.16 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 3hrb s PHE 8 CO 0.11 0.54 -0.17 1.52 0.70 0.00 0.00 175.22 177.93 3hrb s TYR 9 N -1.61 1.48 0.13 0.36 1.13 -0.04 -4.89 117.35 113.92 3hrb s TYR 9 Ca 0.34 -0.46 -0.01 0.00 -1.41 0.00 0.00 57.07 55.53 3hrb s TYR 9 Cb -0.12 -0.81 -0.04 0.00 -1.10 0.00 0.00 41.96 39.89 3hrb s TYR 9 CO 0.27 0.14 0.31 1.03 -2.51 0.00 0.00 175.55 174.79 3hrb s ARG 10 N -1.99 3.51 -0.28 -3.49 0.52 -1.26 -2.20 118.95 113.75 3hrb s ARG 10 Ca 0.04 -0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 54.67 3hrb s ARG 10 Cb -0.09 -2.92 0.13 0.00 0.52 0.00 0.00 34.95 32.58 3hrb s ARG 10 CO 0.03 0.50 1.00 -1.14 0.02 0.00 0.00 175.30 175.72 3hrb s GLN 11 N -2.89 0.48 -0.29 3.54 0.74 0.05 -4.99 119.66 116.30 3hrb s GLN 11 Ca 0.37 0.64 -0.19 0.00 0.05 0.00 0.00 55.36 56.23 3hrb s GLN 11 Cb -0.12 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.18 3hrb s GLN 11 CO 0.28 -0.07 0.58 -2.00 -0.55 0.00 0.00 175.29 173.52 3hrb s GLU 12 N 0.54 3.93 -0.01 1.67 2.12 -1.26 0.83 118.70 126.52 3hrb s GLU 12 Ca -0.00 0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.54 3hrb s GLU 12 Cb -0.05 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.64 3hrb s GLU 12 CO -0.09 -0.50 0.10 -0.51 -0.54 0.00 0.00 175.26 173.72 3hrb s LEU 13 N 2.48 1.66 -1.24 2.70 1.43 0.18 -4.89 118.68 121.01 3hrb s LEU 13 Ca 0.23 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.17 3hrb s LEU 13 Cb -0.15 0.48 -0.01 0.00 0.03 0.00 0.00 46.19 46.53 3hrb s LEU 13 CO 0.11 -0.23 0.71 0.59 0.23 0.00 0.00 176.35 177.76 3hrb n ASN 14 N 2.08 -3.06 -1.75 2.29 3.02 -1.26 -1.22 115.26 115.37 3hrb n ASN 14 Ca -0.19 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.32 3hrb n ASN 14 Cb 0.57 -3.79 -0.04 0.00 -0.61 0.00 0.00 39.78 35.91 3hrb n ASN 14 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3hrb n LYS 15 N -4.15 -1.60 -3.80 3.52 0.00 -1.26 -4.90 118.16 105.97 3hrb n LYS 15 Ca -0.21 0.72 -0.10 0.00 -0.00 0.00 0.00 58.31 58.73 3hrb n LYS 15 Cb 0.64 -5.09 -0.07 0.00 -0.00 0.00 0.00 35.03 30.51 3hrb n LYS 15 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3hrb s THR 16 N -2.30 0.11 -0.53 0.58 -1.32 -0.35 -5.12 115.64 106.71 3hrb s THR 16 Ca 0.00 -0.90 -0.23 0.00 -1.21 0.00 0.00 61.69 59.35 3hrb s THR 16 Cb 0.00 -1.11 0.04 0.00 -1.51 0.00 0.00 72.50 69.92 3hrb s THR 16 CO 0.00 -0.50 0.88 -0.63 -2.21 0.00 0.00 174.62 172.16 3hrb s ILE 17 N -3.20 4.49 -0.11 5.08 1.09 -1.26 0.49 121.20 127.79 3hrb s ILE 17 Ca -0.00 0.22 -0.21 0.00 -1.10 0.00 0.00 60.65 59.56 3hrb s ILE 17 Cb 0.02 -4.47 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 3hrb s ILE 17 CO -0.07 -1.00 0.62 0.26 -0.10 0.00 0.00 174.94 174.64 3hrb s TRP 18 N 3.67 3.51 -0.30 3.97 0.52 0.24 -4.91 118.94 125.65 3hrb s TRP 18 Ca 0.29 1.07 0.02 0.00 0.02 0.00 0.00 56.10 57.49 3hrb s TRP 18 Cb -0.13 -2.73 0.08 0.00 -1.15 0.00 0.00 33.47 29.54 3hrb s TRP 18 CO 0.19 0.05 0.01 -2.00 0.02 0.00 0.00 176.95 175.22 3hrb s GLU 19 N 1.01 1.48 0.16 4.98 2.12 -1.26 -0.77 118.70 126.42 3hrb s GLU 19 Ca 0.32 -1.44 0.07 0.00 0.36 0.00 0.00 54.97 54.28 3hrb s GLU 19 Cb -0.16 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 3hrb s GLU 19 CO 0.14 -0.82 -0.15 0.14 -0.54 0.00 0.00 175.26 174.03 3hrb s VAL 20 N 1.18 1.58 0.57 3.70 -7.23 -0.93 -4.59 120.40 114.68 3hrb s VAL 20 Ca 0.04 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 3hrb s VAL 20 Cb -0.19 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 3hrb s VAL 20 CO -0.10 -0.45 1.03 -2.65 -0.31 0.00 0.00 175.10 172.62 3hrb n PRO 21 N 0.18 1.07 0.27 4.82 -0.02 -1.26 -0.86 135.00 139.21 3hrb n PRO 21 Ca -0.12 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 61.91 3hrb n PRO 21 Cb 0.58 -2.22 0.87 0.00 -0.02 0.00 0.00 33.50 32.71 3hrb n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hrb h GLU 22 N 0.76 0.00 -0.68 -0.52 5.08 -1.59 -1.89 114.58 115.74 3hrb h GLU 22 Ca -0.48 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.08 3hrb h GLU 22 Cb 1.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 3hrb h GLU 22 CO 0.53 0.00 0.50 0.07 -1.00 0.00 0.00 179.01 179.10 3hrb h ARG 23 N 0.00 0.00 -5.29 2.33 0.11 -1.90 -3.39 114.38 106.24 3hrb h ARG 23 Ca 0.02 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.47 3hrb h ARG 23 Cb 0.10 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.04 3hrb h ARG 23 CO -0.00 0.00 -0.06 0.71 0.10 0.00 0.00 179.97 180.72 3hrb s TYR 24 N -4.99 3.23 0.24 4.08 2.02 -0.71 -0.88 117.35 120.34 3hrb s TYR 24 Ca -0.05 0.46 0.08 0.00 -0.37 0.00 0.00 57.07 57.19 3hrb s TYR 24 Cb 0.20 -2.77 -0.05 0.00 -0.40 0.00 0.00 41.96 38.94 3hrb s TYR 24 CO 0.74 -0.36 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.58 3hrb s GLN 25 N 2.31 1.44 -1.27 -0.62 -1.52 -0.44 -4.83 119.66 114.72 3hrb s GLN 25 Ca 0.20 -1.67 -0.03 0.00 -1.95 0.00 0.00 55.36 51.91 3hrb s GLN 25 Cb -0.16 -1.24 0.01 0.00 -0.22 0.00 0.00 33.01 31.40 3hrb s GLN 25 CO 0.11 0.17 0.98 0.09 -0.25 0.00 0.00 175.29 176.39 3hrb n ASN 26 N -0.47 -2.96 -4.76 5.90 3.02 -1.26 -1.02 115.26 113.71 3hrb n ASN 26 Ca -0.07 -0.65 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 3hrb n ASN 26 Cb 0.61 -4.83 -0.02 0.00 -0.61 0.00 0.00 39.78 34.93 3hrb n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hrb s LEU 27 N -6.68 4.37 -0.15 3.41 1.43 -1.26 -4.44 118.68 115.36 3hrb s LEU 27 Ca 0.17 2.82 -0.09 0.00 -1.03 0.00 0.00 54.13 56.00 3hrb s LEU 27 Cb -0.08 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.56 3hrb s LEU 27 CO 0.75 -0.77 0.37 -0.94 0.23 0.00 0.00 176.35 176.00 3hrb s SER 28 N 0.16 -0.45 0.48 2.29 1.04 -0.58 -4.98 113.70 111.67 3hrb s SER 28 Ca 0.57 0.80 -0.23 0.00 0.48 0.00 0.00 55.95 57.57 3hrb s SER 28 Cb -0.44 0.70 -0.08 0.00 0.10 0.00 0.00 66.02 66.30 3hrb s SER 28 CO 0.50 -0.18 1.15 -2.65 0.98 0.00 0.00 173.24 173.04 3hrb n PRO 29 N 3.98 1.52 0.00 4.02 -0.02 -1.26 -1.17 135.00 142.07 3hrb n PRO 29 Ca -0.22 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3hrb n PRO 29 Cb 0.55 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3hrb n PRO 29 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3hrb n VAL 30 N -0.71 0.00 0.00 -1.45 3.14 -0.11 -4.76 118.33 114.43 3hrb n VAL 30 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3hrb n VAL 30 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 3hrb n VAL 30 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hrb n GLY 36 N -0.20 0.00 3.83 7.55 0.00 -1.26 -4.93 105.19 110.19 3hrb n GLY 36 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hrb n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hrb s SER 37 N 0.00 6.76 -0.05 1.61 0.01 -1.13 -4.85 113.70 116.05 3hrb s SER 37 Ca 0.00 1.58 0.04 0.00 1.31 0.00 0.00 55.95 58.88 3hrb s SER 37 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3hrb s SER 37 CO 0.00 -0.46 -0.16 -0.69 0.41 0.00 0.00 173.24 172.34 3hrb s VAL 38 N -2.38 1.41 -0.04 3.43 1.01 -1.26 -1.42 120.40 121.15 3hrb s VAL 38 Ca 0.60 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.97 3hrb s VAL 38 Cb -0.10 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3hrb s VAL 38 CO 0.23 0.41 -0.26 0.00 0.00 0.00 0.00 175.10 175.48 3hrb s ALA 40 N -0.42 3.02 0.21 0.00 0.00 -0.32 -0.64 121.76 123.61 3hrb s ALA 40 Ca 0.04 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3hrb s ALA 40 Cb -0.12 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3hrb s ALA 40 CO 0.01 -0.31 0.49 0.00 0.00 0.00 0.00 175.76 175.96 3hrb s ALA 41 N -1.71 -0.62 -0.21 0.00 0.00 -0.16 -1.52 121.76 117.54 3hrb s ALA 41 Ca 0.61 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 3hrb s ALA 41 Cb -0.22 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3hrb s ALA 41 CO 0.27 -0.82 0.01 0.12 0.00 0.00 0.00 175.76 175.34 3hrb s PHE 42 N -3.94 3.05 -0.58 0.00 5.36 -0.19 -0.86 117.98 120.82 3hrb s PHE 42 Ca 0.15 -0.47 -0.23 0.00 -0.96 0.00 0.00 56.93 55.41 3hrb s PHE 42 Cb -0.01 -2.11 0.05 0.00 -0.34 0.00 0.00 43.02 40.61 3hrb s PHE 42 CO 0.02 -0.27 0.91 0.34 -1.46 0.00 0.00 175.22 174.76 3hrb s ASP 43 N 1.12 6.27 0.53 6.13 2.15 -0.47 -1.33 116.67 131.07 3hrb s ASP 43 Ca 0.03 -0.61 0.34 0.00 0.43 0.00 0.00 52.55 52.74 3hrb s ASP 43 Cb -0.14 -2.41 1.46 0.00 -0.30 0.00 0.00 42.92 41.52 3hrb s ASP 43 CO 0.02 -1.25 2.00 0.71 -0.17 0.00 0.00 175.17 176.47 3hrb h THR 44 N 5.99 0.00 0.14 1.71 1.35 -1.32 0.71 112.91 121.49 3hrb h THR 44 Ca -0.27 -0.41 -0.30 0.00 -0.55 0.00 0.00 66.41 64.89 3hrb h THR 44 Cb 1.07 1.37 0.02 0.00 -1.73 0.00 0.00 68.15 68.89 3hrb h THR 44 CO 1.10 0.00 -1.27 0.50 -0.25 0.00 0.00 175.52 175.60 3hrb h LYS 45 N 0.00 0.52 0.00 4.72 3.64 -1.92 -3.37 116.57 120.16 3hrb h LYS 45 Ca 0.00 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 3hrb h LYS 45 Cb 0.42 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3hrb h LYS 45 CO 0.00 1.34 -1.47 0.25 -2.27 0.00 0.00 179.45 177.30 3hrb n THR 46 N -3.72 0.00 -0.99 1.00 -2.24 -1.08 -4.98 114.28 102.27 3hrb n THR 46 Ca -0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hrb n THR 46 Cb 1.01 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3hrb n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrb n GLY 47 N 1.44 0.52 3.90 3.38 0.00 0.22 -5.03 105.19 109.62 3hrb n GLY 47 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3hrb n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrb s LEU 48 N 0.00 4.27 -0.03 0.99 1.43 -1.22 -4.90 118.68 119.22 3hrb s LEU 48 Ca 0.00 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 3hrb s LEU 48 Cb 0.00 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 3hrb s LEU 48 CO 0.00 0.05 1.06 -0.13 0.23 0.00 0.00 176.35 177.56 3hrb s ARG 49 N -2.70 4.46 0.15 1.70 1.81 -1.26 -1.37 118.95 121.74 3hrb s ARG 49 Ca 0.41 1.52 0.08 0.00 -1.72 0.00 0.00 55.73 56.01 3hrb s ARG 49 Cb -0.12 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 3hrb s ARG 49 CO 0.25 -0.23 -0.18 0.14 -0.68 0.00 0.00 175.30 174.60 3hrb s VAL 50 N 1.53 1.74 -0.20 3.52 -7.23 -0.04 -1.22 120.40 118.49 3hrb s VAL 50 Ca 0.53 -1.85 -0.07 0.00 -1.81 0.00 0.00 61.98 58.78 3hrb s VAL 50 Cb -0.22 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 3hrb s VAL 50 CO 0.24 -0.31 0.05 0.00 -0.31 0.00 0.00 175.10 174.77 3hrb s ALA 51 N -1.98 3.28 -0.21 1.32 0.00 0.91 -0.99 121.76 124.09 3hrb s ALA 51 Ca 0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3hrb s ALA 51 Cb -0.06 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 3hrb s ALA 51 CO 0.06 0.01 -0.07 0.08 0.00 0.00 0.00 175.76 175.83 3hrb s VAL 52 N 0.70 3.13 -0.21 0.00 1.01 0.19 -1.24 120.40 123.98 3hrb s VAL 52 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3hrb s VAL 52 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3hrb s VAL 52 CO 0.02 0.45 0.04 -0.75 0.00 0.00 0.00 175.10 174.86 3hrb s LYS 53 N 1.38 3.73 -0.31 2.72 2.20 0.20 -0.64 119.74 129.03 3hrb s LYS 53 Ca 0.05 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 3hrb s LYS 53 Cb -0.14 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3hrb s LYS 53 CO -0.04 0.02 0.25 0.21 -0.36 0.00 0.00 175.35 175.43 3hrb s LYS 54 N 1.03 3.75 0.22 4.03 2.20 -0.51 -1.03 119.74 129.43 3hrb s LYS 54 Ca 0.03 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 3hrb s LYS 54 Cb -0.14 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 3hrb s LYS 54 CO 0.03 -0.33 1.22 -0.51 -0.36 0.00 0.00 175.35 175.39 3hrb s LEU 55 N 1.82 4.46 -0.25 5.43 1.43 -0.94 -2.82 118.68 127.80 3hrb s LEU 55 Ca 0.08 2.32 -0.22 0.00 -1.03 0.00 0.00 54.13 55.28 3hrb s LEU 55 Cb -0.17 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3hrb s LEU 55 CO 0.11 -0.39 0.70 -0.44 0.23 0.00 0.00 176.35 176.57 3hrb s SER 56 N -0.04 6.68 -1.15 2.29 0.01 -1.26 -4.55 113.70 115.68 3hrb s SER 56 Ca 0.52 0.84 -0.14 0.00 1.31 0.00 0.00 55.95 58.47 3hrb s SER 56 Cb -0.34 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 3hrb s SER 56 CO 0.39 -0.42 0.80 -2.11 0.41 0.00 0.00 173.24 172.31 3hrb n ARG 57 N 5.80 -2.00 0.28 12.44 -4.01 -1.26 -4.83 116.66 123.08 3hrb n ARG 57 Ca 0.02 0.57 0.17 0.00 -1.04 0.00 0.00 57.85 57.57 3hrb n ARG 57 Cb 0.48 -4.67 0.79 0.00 -3.04 0.00 0.00 32.46 26.02 3hrb n ARG 57 CO 0.00 0.00 0.00 -1.00 -3.04 0.00 0.00 177.63 173.59 3hrb h PRO 58 N -1.70 0.00 -0.09 2.89 0.13 -1.82 -3.18 132.00 128.23 3hrb h PRO 58 Ca -0.64 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.38 3hrb h PRO 58 Cb 1.35 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 3hrb h PRO 58 CO 0.49 0.05 -0.67 1.19 -0.23 0.00 0.00 178.00 178.82 3hrb n PHE 59 N -3.22 0.31 0.18 1.56 3.72 -1.26 -2.09 117.46 116.66 3hrb n PHE 59 Ca -0.01 -1.36 0.06 0.00 -0.05 0.00 0.00 57.45 56.09 3hrb n PHE 59 Cb 0.26 -0.24 0.16 0.00 -0.94 0.00 0.00 39.48 38.72 3hrb n PHE 59 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3hrb h GLN 60 N 1.17 0.00 -4.53 -1.08 3.07 -1.92 -3.46 115.11 108.36 3hrb h GLN 60 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.43 3hrb h GLN 60 Cb 1.27 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 28.69 3hrb h GLN 60 CO 0.10 0.33 -0.49 -1.54 0.09 0.00 0.00 178.83 177.32 3hrb s SER 61 N -6.34 0.61 0.29 0.06 1.04 -1.26 -5.03 113.70 103.06 3hrb s SER 61 Ca 0.04 -1.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.00 3hrb s SER 61 Cb 0.08 0.48 0.45 0.00 0.10 0.00 0.00 66.02 67.12 3hrb s SER 61 CO 0.70 -0.97 1.92 0.40 0.98 0.00 0.00 173.24 176.27 3hrb h ILE 62 N 2.40 1.13 -0.28 -1.02 2.04 -1.95 -1.51 117.51 118.33 3hrb h ILE 62 Ca -0.31 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 64.98 3hrb h ILE 62 Cb 1.24 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3hrb h ILE 62 CO 0.45 0.21 -0.54 0.40 0.00 0.00 0.00 178.15 178.67 3hrb h ILE 63 N 1.13 1.28 -0.15 -0.67 1.08 -1.97 -1.97 117.51 116.24 3hrb h ILE 63 Ca 0.38 -1.72 -0.15 0.00 -0.39 0.00 0.00 64.86 62.98 3hrb h ILE 63 Cb 0.07 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3hrb h ILE 63 CO -0.12 0.56 -0.47 0.45 -0.69 0.00 0.00 178.15 177.87 3hrb h HIS 64 N 0.64 0.76 -0.81 1.37 3.86 -1.82 -1.69 115.15 117.46 3hrb h HIS 64 Ca 0.01 -0.31 0.09 0.00 -1.16 0.00 0.00 60.37 59.00 3hrb h HIS 64 Cb 1.15 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 29.42 3hrb h HIS 64 CO 0.08 1.08 0.46 0.00 0.86 0.00 0.00 177.93 180.40 3hrb h ALA 65 N 0.54 1.14 -0.38 2.45 0.00 -0.70 0.38 119.26 122.69 3hrb h ALA 65 Ca -0.02 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3hrb h ALA 65 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hrb h ALA 65 CO 0.10 0.09 -0.36 -0.22 0.00 0.00 0.00 179.25 178.86 3hrb h LYS 66 N 0.77 0.89 -0.39 0.00 3.64 -1.36 -2.31 116.57 117.81 3hrb h LYS 66 Ca 0.39 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3hrb h LYS 66 Cb 0.35 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3hrb h LYS 66 CO -0.24 1.10 0.22 0.00 -2.27 0.00 0.00 179.45 178.25 3hrb h ARG 67 N 0.74 0.55 -0.34 1.90 3.08 -0.25 0.33 114.38 120.38 3hrb h ARG 67 Ca 0.07 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3hrb h ARG 67 Cb 0.94 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3hrb h ARG 67 CO 0.09 0.45 0.17 1.15 -1.07 0.00 0.00 179.97 180.76 3hrb h THR 68 N 0.51 0.99 0.02 2.04 2.02 -0.29 0.32 112.91 118.52 3hrb h THR 68 Ca 0.14 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3hrb h THR 68 Cb 0.06 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3hrb h THR 68 CO -0.02 0.07 -0.01 0.22 0.37 0.00 0.00 175.52 176.15 3hrb h TYR 69 N 0.36 -0.02 -0.21 3.16 3.20 -1.18 -1.27 116.97 121.01 3hrb h TYR 69 Ca 0.14 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.06 3hrb h TYR 69 Cb 0.05 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3hrb h TYR 69 CO -0.10 -0.01 -0.08 -0.09 -1.64 0.00 0.00 178.16 176.25 3hrb h ARG 70 N -0.02 -0.04 -0.50 1.82 2.43 -0.02 0.12 114.38 118.17 3hrb h ARG 70 Ca -0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3hrb h ARG 70 Cb 0.02 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3hrb h ARG 70 CO 0.00 -0.03 0.29 1.49 -1.51 0.00 0.00 179.97 180.22 3hrb h GLU 71 N -0.04 0.56 -0.24 0.20 4.81 -0.16 -0.45 114.58 119.26 3hrb h GLU 71 Ca 0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3hrb h GLU 71 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hrb h GLU 71 CO -0.23 0.37 0.04 1.25 -0.73 0.00 0.00 179.01 179.71 3hrb h LEU 72 N 0.58 0.38 -0.26 1.64 5.85 -0.79 0.87 115.31 123.57 3hrb h LEU 72 Ca 0.21 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hrb h LEU 72 Cb 0.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3hrb h LEU 72 CO -0.10 0.54 0.11 0.03 -0.34 0.00 0.00 178.44 178.67 3hrb h ARG 73 N 0.21 0.23 0.22 1.25 2.47 -0.52 0.36 114.38 118.59 3hrb h ARG 73 Ca 0.07 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 3hrb h ARG 73 Cb 0.32 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 3hrb h ARG 73 CO 0.00 0.15 -0.27 -0.07 0.56 0.00 0.00 179.97 180.34 3hrb h LEU 74 N 0.24 -0.75 -1.11 3.04 3.38 -0.90 -1.68 115.31 117.53 3hrb h LEU 74 Ca 0.11 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3hrb h LEU 74 Cb 0.06 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hrb h LEU 74 CO -0.10 -0.38 0.05 -0.07 0.09 0.00 0.00 178.44 178.03 3hrb h LEU 75 N -0.54 0.64 -1.55 1.67 3.38 -0.54 -1.84 115.31 116.53 3hrb h LEU 75 Ca 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3hrb h LEU 75 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hrb h LEU 75 CO -0.09 0.67 -0.15 0.11 0.09 0.00 0.00 178.44 179.07 3hrb h LYS 76 N 0.65 0.10 -0.09 1.13 1.57 -0.12 -3.16 116.57 116.66 3hrb h LYS 76 Ca 0.14 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3hrb h LYS 76 Cb 0.33 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hrb h LYS 76 CO 0.01 0.26 -0.65 1.25 -0.57 0.00 0.00 179.45 179.74 3hrb h HIS 77 N 0.10 0.45 -3.53 -1.35 2.76 -0.43 -3.45 115.15 109.70 3hrb h HIS 77 Ca 0.02 -0.18 -0.60 0.00 -2.20 0.00 0.00 60.37 57.41 3hrb h HIS 77 Cb 0.33 -0.08 -0.10 0.00 1.55 0.00 0.00 27.41 29.12 3hrb h HIS 77 CO 0.00 0.90 0.58 -1.64 -1.30 0.00 0.00 177.93 176.47 3hrb s MET 78 N -3.72 3.78 -0.53 5.26 -1.94 -1.16 -4.95 119.30 116.04 3hrb s MET 78 Ca -0.05 0.48 0.04 0.00 -1.71 0.00 0.00 55.69 54.44 3hrb s MET 78 Cb 0.11 -3.83 0.15 0.00 2.01 0.00 0.00 34.83 33.28 3hrb s MET 78 CO 0.82 -0.99 0.33 0.15 -0.01 0.00 0.00 175.02 175.32 3hrb s LYS 79 N 3.50 1.73 -0.19 2.03 1.02 -1.26 -4.34 119.74 122.23 3hrb s LYS 79 Ca 0.37 -2.55 -0.20 0.00 0.02 0.00 0.00 55.97 53.61 3hrb s LYS 79 Cb -0.12 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.50 3hrb s LYS 79 CO 0.20 -1.22 0.55 -1.58 -0.92 0.00 0.00 175.35 172.39 3hrb s HIS 80 N -0.37 -0.60 0.58 3.18 2.46 -1.26 -5.06 115.29 114.23 3hrb s HIS 80 Ca 0.22 1.43 0.27 0.00 0.47 0.00 0.00 55.06 57.45 3hrb s HIS 80 Cb -0.15 0.22 1.69 0.00 -0.13 0.00 0.00 32.58 34.20 3hrb s HIS 80 CO -0.08 -0.32 2.20 0.93 -2.47 0.00 0.00 174.74 175.00 3hrb h GLU 81 N 5.08 0.00 -0.36 2.88 5.08 -1.97 -2.55 114.58 122.75 3hrb h GLU 81 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hrb h GLU 81 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hrb h GLU 81 CO 0.18 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.28 3hrb n ASN 82 N -3.96 3.97 -3.92 1.42 5.03 -1.26 -4.66 115.26 111.89 3hrb n ASN 82 Ca -0.02 -2.72 -0.20 0.00 0.87 0.00 0.00 54.58 52.52 3hrb n ASN 82 Cb 0.15 -0.49 -0.16 0.00 -1.02 0.00 0.00 39.78 38.26 3hrb n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hrb s VAL 83 N -2.30 0.58 0.01 2.41 1.01 -0.96 -1.08 120.40 120.07 3hrb s VAL 83 Ca 0.40 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3hrb s VAL 83 Cb 0.30 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 3hrb s VAL 83 CO 0.13 0.22 1.67 -0.63 0.00 0.00 0.00 175.10 176.49 3hrb s ILE 84 N 0.73 3.31 0.07 2.22 1.09 -0.43 -4.49 121.20 123.70 3hrb s ILE 84 Ca -0.10 0.58 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 3hrb s ILE 84 Cb -0.13 -3.37 -0.00 0.00 -1.06 0.00 0.00 42.46 37.90 3hrb s ILE 84 CO 0.00 -0.03 0.01 0.61 -0.10 0.00 0.00 174.94 175.44 3hrb n GLY 85 N 4.08 4.06 3.60 6.18 0.00 -1.26 -4.87 105.19 116.98 3hrb n GLY 85 Ca 0.17 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 3hrb n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrb s LEU 86 N 0.00 4.04 0.10 0.99 1.43 -1.23 -4.37 118.68 119.64 3hrb s LEU 86 Ca 0.01 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3hrb s LEU 86 Cb 0.00 -2.20 -0.23 0.00 0.03 0.00 0.00 46.19 43.79 3hrb s LEU 86 CO 0.01 -0.07 1.21 -0.07 0.23 0.00 0.00 176.35 177.66 3hrb h LEU 87 N 8.32 0.13 -7.04 1.79 3.38 -1.13 -3.44 115.31 117.32 3hrb h LEU 87 Ca -0.35 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 3hrb h LEU 87 Cb 1.18 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 3hrb h LEU 87 CO 0.59 1.11 0.16 -0.62 0.09 0.00 0.00 178.44 179.76 3hrb s ASP 88 N -6.82 -0.61 -0.04 -0.43 2.15 -1.17 -4.59 116.67 105.16 3hrb s ASP 88 Ca -0.01 0.59 -0.02 0.00 0.43 0.00 0.00 52.55 53.54 3hrb s ASP 88 Cb 0.09 0.53 0.03 0.00 -0.30 0.00 0.00 42.92 43.27 3hrb s ASP 88 CO 0.84 -0.64 0.09 0.54 -0.17 0.00 0.00 175.17 175.83 3hrb s VAL 89 N -1.48 -0.04 0.17 1.11 0.11 -1.26 -0.33 120.40 118.68 3hrb s VAL 89 Ca -0.10 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 3hrb s VAL 89 Cb -0.00 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 3hrb s VAL 89 CO 0.07 0.06 0.19 0.72 -3.33 0.00 0.00 175.10 172.81 3hrb s PHE 90 N 0.79 0.72 -0.00 1.54 -0.12 -0.66 -4.95 117.98 115.29 3hrb s PHE 90 Ca -0.06 -1.06 -0.02 0.00 -0.05 0.00 0.00 56.93 55.74 3hrb s PHE 90 Cb -0.08 -0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.02 3hrb s PHE 90 CO -0.03 -0.66 0.03 -0.08 -0.05 0.00 0.00 175.22 174.42 3hrb s THR 91 N -4.04 0.04 -1.13 -4.49 -1.32 -1.26 -1.30 115.64 102.13 3hrb s THR 91 Ca 0.25 -0.31 0.13 0.00 -1.21 0.00 0.00 61.69 60.55 3hrb s THR 91 Cb 0.05 -0.15 0.15 0.00 -1.51 0.00 0.00 72.50 71.04 3hrb s THR 91 CO 0.04 -0.17 1.40 -0.81 -2.21 0.00 0.00 174.62 172.88 3hrb n PRO 92 N 2.52 0.06 -2.17 7.08 -0.04 -1.26 -4.85 135.00 136.33 3hrb n PRO 92 Ca -0.16 0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 3hrb n PRO 92 Cb 0.58 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3hrb n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hrb s ALA 93 N -2.87 2.98 -0.25 0.55 0.00 -1.26 -4.96 121.76 115.95 3hrb s ALA 93 Ca 0.08 1.02 0.21 0.00 0.00 0.00 0.00 51.96 53.27 3hrb s ALA 93 Cb 0.09 -3.42 -0.30 0.00 0.00 0.00 0.00 23.12 19.49 3hrb s ALA 93 CO 0.23 -0.77 0.55 0.54 0.00 0.00 0.00 175.76 176.31 3hrb n ARG 94 N -0.48 0.55 -3.86 0.00 1.74 -1.26 -4.98 116.66 108.37 3hrb n ARG 94 Ca 0.07 -0.15 -0.10 0.00 -0.77 0.00 0.00 57.85 56.91 3hrb n ARG 94 Cb 0.47 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 3hrb n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hrb s SER 95 N -4.06 -0.06 0.29 0.55 1.04 -1.26 -5.05 113.70 105.15 3hrb s SER 95 Ca -0.04 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.72 3hrb s SER 95 Cb 0.14 0.47 0.58 0.00 0.10 0.00 0.00 66.02 67.31 3hrb s SER 95 CO 0.86 -0.92 1.83 0.25 0.98 0.00 0.00 173.24 176.24 3hrb h LEU 96 N 2.45 0.91 -1.34 2.42 5.85 -1.95 -0.40 115.31 123.25 3hrb h LEU 96 Ca -0.31 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 3hrb h LEU 96 Cb 1.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3hrb h LEU 96 CO 0.46 0.47 -0.31 1.05 -0.34 0.00 0.00 178.44 179.76 3hrb h GLU 97 N 0.96 0.00 -0.02 1.25 9.09 -2.02 -2.00 114.58 121.84 3hrb h GLU 97 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 3hrb h GLU 97 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3hrb h GLU 97 CO -0.28 0.31 -0.18 -0.85 0.05 0.00 0.00 179.01 178.07 3hrb n GLU 98 N -3.88 1.77 -1.82 1.06 0.28 -0.94 -4.99 120.64 112.13 3hrb n GLU 98 Ca -0.02 -1.46 -0.42 0.00 -0.16 0.00 0.00 57.16 55.10 3hrb n GLU 98 Cb 0.39 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 3hrb n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3hrb s PHE 99 N -2.02 2.67 0.00 -1.84 5.36 -0.20 -4.81 117.98 117.14 3hrb s PHE 99 Ca 0.22 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3hrb s PHE 99 Cb 0.18 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 3hrb s PHE 99 CO 0.37 -4.13 0.00 -1.71 -1.46 0.00 0.00 175.22 168.29 3hrb n ASN 100 N 4.69 0.00 -4.37 6.13 4.05 -1.26 -5.01 115.26 119.49 3hrb n ASN 100 Ca 0.16 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.88 3hrb n ASN 100 Cb 0.38 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.24 3hrb n ASN 100 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3hrb s ASP 101 N -1.70 3.36 -0.07 1.20 1.01 -1.26 -4.63 116.67 114.57 3hrb s ASP 101 Ca 0.00 -0.45 0.05 0.00 0.71 0.00 0.00 52.55 52.87 3hrb s ASP 101 Cb 0.00 -0.45 -0.01 0.00 1.01 0.00 0.00 42.92 43.47 3hrb s ASP 101 CO 0.00 0.30 -0.24 -0.69 0.21 0.00 0.00 175.17 174.75 3hrb s VAL 102 N -0.73 2.11 -0.07 -1.27 1.01 -1.26 -4.48 120.40 115.71 3hrb s VAL 102 Ca 0.11 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3hrb s VAL 102 Cb -0.10 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3hrb s VAL 102 CO 0.01 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 3hrb s TYR 103 N -0.03 2.22 -0.05 5.22 1.51 -0.42 -2.22 117.35 123.58 3hrb s TYR 103 Ca -0.08 -0.79 0.05 0.00 -1.01 0.00 0.00 57.07 55.24 3hrb s TYR 103 Cb -0.15 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 3hrb s TYR 103 CO 0.05 -0.30 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.49 3hrb s LEU 104 N 0.19 2.44 -0.07 -1.29 1.43 -0.20 -1.65 118.68 119.54 3hrb s LEU 104 Ca -0.12 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3hrb s LEU 104 Cb -0.15 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 3hrb s LEU 104 CO 0.06 0.31 -0.20 -0.69 0.23 0.00 0.00 176.35 176.05 3hrb s VAL 105 N -0.51 1.72 0.31 -1.59 1.01 0.55 -0.63 120.40 121.26 3hrb s VAL 105 Ca 0.07 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3hrb s VAL 105 Cb -0.11 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3hrb s VAL 105 CO 0.01 0.49 0.31 1.07 0.00 0.00 0.00 175.10 176.98 3hrb n THR 106 N 3.37 0.00 -2.04 3.92 5.66 -0.37 -0.48 114.28 124.33 3hrb n THR 106 Ca -0.19 -2.08 -0.41 0.00 -3.05 0.00 0.00 64.05 58.32 3hrb n THR 106 Cb 0.53 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.38 3hrb n THR 106 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3hrb s HIS 107 N -3.20 2.93 -0.24 1.09 3.76 -1.26 -0.06 115.29 118.31 3hrb s HIS 107 Ca 0.34 1.35 -0.28 0.00 -0.15 0.00 0.00 55.06 56.32 3hrb s HIS 107 Cb 0.01 -3.77 0.01 0.00 1.11 0.00 0.00 32.58 29.94 3hrb s HIS 107 CO 0.24 -2.15 0.99 -1.17 -0.85 0.00 0.00 174.74 171.81 3hrb s LEU 108 N -1.88 4.09 -0.25 0.89 2.96 -0.36 -4.16 118.68 119.97 3hrb s LEU 108 Ca 0.50 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.72 3hrb s LEU 108 Cb -0.41 -3.46 -0.17 0.00 0.50 0.00 0.00 46.19 42.65 3hrb s LEU 108 CO 0.56 -0.65 -0.21 0.23 -1.32 0.00 0.00 176.35 174.95 3hrb n MET 109 N 6.28 0.64 0.00 1.98 2.81 -1.26 -4.85 117.12 122.71 3hrb n MET 109 Ca 0.11 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3hrb n MET 109 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 3hrb n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hrb n GLY 110 N 2.28 2.41 3.30 3.03 0.00 -1.26 -4.18 105.19 110.76 3hrb n GLY 110 Ca -0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3hrb n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrb s ALA 111 N -2.37 0.46 0.52 4.61 0.00 -1.22 -5.07 121.76 118.69 3hrb s ALA 111 Ca 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.77 3hrb s ALA 111 Cb 0.00 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.15 3hrb s ALA 111 CO 0.00 -0.62 0.21 0.16 0.00 0.00 0.00 175.76 175.50 3hrb s ASP 112 N -3.04 4.39 0.43 0.00 1.47 -1.26 -1.76 116.67 116.90 3hrb s ASP 112 Ca 0.25 -1.42 0.11 0.00 1.18 0.00 0.00 52.55 52.67 3hrb s ASP 112 Cb 0.05 0.40 0.95 0.00 -0.34 0.00 0.00 42.92 43.98 3hrb s ASP 112 CO 0.05 -0.95 2.02 0.25 0.68 0.00 0.00 175.17 177.22 3hrb h LEU 113 N 1.06 0.21 0.22 2.11 5.85 -0.72 -2.40 115.31 121.64 3hrb h LEU 113 Ca -0.40 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3hrb h LEU 113 Cb 1.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3hrb h LEU 113 CO 0.66 0.25 -0.11 0.78 -0.34 0.00 0.00 178.44 179.68 3hrb h ASN 114 N 0.23 -0.25 0.00 1.25 -0.26 -1.89 -2.63 115.58 112.04 3hrb h ASN 114 Ca 0.06 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 3hrb h ASN 114 Cb 0.15 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3hrb h ASN 114 CO 0.00 -0.14 0.33 0.59 -1.06 0.00 0.00 177.43 177.15 3hrb n ASN 115 N -5.20 0.66 0.00 5.81 3.02 -0.90 -1.09 115.26 117.56 3hrb n ASN 115 Ca -0.09 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3hrb n ASN 115 Cb 0.16 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3hrb n ASN 115 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hrb n ILE 116 N 2.78 0.00 0.00 2.41 5.41 -1.24 -4.75 119.36 123.97 3hrb n ILE 116 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3hrb n ILE 116 Cb 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 3hrb n ILE 116 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hrb n VAL 117 N -0.54 0.00 -1.51 1.39 0.31 -0.25 -4.99 118.33 112.73 3hrb n VAL 117 Ca 0.00 0.00 -0.55 0.00 -0.01 0.00 0.00 64.34 63.78 3hrb n VAL 117 Cb 0.00 -0.45 -0.07 0.00 -0.91 0.00 0.00 33.84 32.42 3hrb n VAL 117 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hrb n LYS 118 N -1.79 0.33 -3.23 5.55 5.02 -1.15 -0.30 118.16 122.59 3hrb n LYS 118 Ca 0.00 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.18 3hrb n LYS 118 Cb 0.31 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3hrb n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hrb s GLN 120 N -5.91 0.44 -0.35 0.00 -1.52 0.59 -4.98 119.66 107.92 3hrb s GLN 120 Ca 0.38 0.08 -0.26 0.00 -1.95 0.00 0.00 55.36 53.61 3hrb s GLN 120 Cb -0.18 -0.67 0.01 0.00 -0.22 0.00 0.00 33.01 31.95 3hrb s GLN 120 CO 0.47 -0.18 0.93 0.21 -0.25 0.00 0.00 175.29 176.47 3hrb s LYS 121 N 1.35 3.89 0.45 2.91 2.20 -1.26 -3.78 119.74 125.50 3hrb s LYS 121 Ca -0.05 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 3hrb s LYS 121 Cb -0.13 -3.78 -0.00 0.00 -1.51 0.00 0.00 37.83 32.40 3hrb s LYS 121 CO -0.02 -0.91 0.67 -0.51 -0.36 0.00 0.00 175.35 174.22 3hrb s LEU 122 N 3.44 3.63 0.79 5.43 1.02 -0.77 -4.97 118.68 127.25 3hrb s LEU 122 Ca 0.39 0.26 -0.11 0.00 0.02 0.00 0.00 54.13 54.68 3hrb s LEU 122 Cb -0.12 -3.14 0.07 0.00 0.02 0.00 0.00 46.19 43.02 3hrb s LEU 122 CO 0.17 -0.72 1.11 0.42 0.02 0.00 0.00 176.35 177.35 3hrb s THR 123 N -2.56 2.98 0.26 5.49 -4.23 -1.26 -4.83 115.64 111.49 3hrb s THR 123 Ca 0.49 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 3hrb s THR 123 Cb -0.10 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.08 3hrb s THR 123 CO 0.38 -0.39 1.71 -0.78 -0.54 0.00 0.00 174.62 175.00 3hrb h ASP 124 N -1.10 0.66 0.09 3.99 3.58 -1.98 -2.44 116.42 119.22 3hrb h ASP 124 Ca -0.44 -0.20 -0.17 0.00 0.42 0.00 0.00 57.03 56.64 3hrb h ASP 124 Cb 1.24 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 3hrb h ASP 124 CO 0.49 0.83 -0.61 -0.78 -2.88 0.00 0.00 179.24 176.29 3hrb h ASP 125 N 0.60 0.59 -0.52 2.28 3.58 -1.98 0.19 116.42 121.15 3hrb h ASP 125 Ca 0.10 -0.33 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 3hrb h ASP 125 Cb 0.60 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3hrb h ASP 125 CO 0.04 1.06 0.23 0.45 -2.88 0.00 0.00 179.24 178.14 3hrb h HIS 126 N 0.38 0.77 -0.44 0.28 3.86 -1.89 -0.44 115.15 117.67 3hrb h HIS 126 Ca -0.01 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3hrb h HIS 126 Cb 1.16 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3hrb h HIS 126 CO 0.05 0.61 0.24 0.28 0.86 0.00 0.00 177.93 179.96 3hrb h VAL 127 N 0.70 1.16 -0.53 2.45 2.07 -1.25 -1.24 116.25 119.62 3hrb h VAL 127 Ca 0.18 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.38 3hrb h VAL 127 Cb 0.15 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 3hrb h VAL 127 CO -0.02 0.17 -0.04 1.56 0.02 0.00 0.00 177.57 179.26 3hrb h GLN 128 N 0.57 0.07 -0.16 1.57 4.20 -0.39 -1.75 115.11 119.24 3hrb h GLN 128 Ca 0.15 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 3hrb h GLN 128 Cb 0.06 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.83 3hrb h GLN 128 CO -0.02 0.05 -0.52 0.35 -0.67 0.00 0.00 178.83 178.02 3hrb h PHE 129 N 0.08 0.82 -0.16 2.96 3.57 -0.71 -0.91 116.94 122.60 3hrb h PHE 129 Ca 0.27 -0.34 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3hrb h PHE 129 Cb 0.41 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3hrb h PHE 129 CO -0.36 1.12 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.72 3hrb h LEU 130 N 0.29 0.32 -0.57 0.59 3.38 -1.20 -2.32 115.31 115.80 3hrb h LEU 130 Ca -0.02 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 3hrb h LEU 130 Cb 1.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3hrb h LEU 130 CO 0.11 0.63 -0.17 0.40 0.09 0.00 0.00 178.44 179.51 3hrb h ILE 131 N 0.00 1.27 -0.67 1.22 1.08 -1.36 -1.96 117.51 117.10 3hrb h ILE 131 Ca 0.04 -1.32 0.09 0.00 -0.39 0.00 0.00 64.86 63.28 3hrb h ILE 131 Cb 0.50 1.06 -0.07 0.00 -3.07 0.00 0.00 36.82 35.24 3hrb h ILE 131 CO 0.02 0.46 0.31 0.22 -0.69 0.00 0.00 178.15 178.46 3hrb h TYR 132 N 0.85 0.54 -0.55 1.37 3.20 -1.11 0.06 116.97 121.34 3hrb h TYR 132 Ca 0.12 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3hrb h TYR 132 Cb 0.73 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3hrb h TYR 132 CO 0.05 0.18 -0.02 1.96 -1.64 0.00 0.00 178.16 178.69 3hrb h GLN 133 N 0.53 0.95 -0.24 1.82 4.20 -0.97 0.28 115.11 121.67 3hrb h GLN 133 Ca 0.33 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3hrb h GLN 133 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3hrb h GLN 133 CO -0.28 0.95 0.06 0.82 -0.67 0.00 0.00 178.83 179.71 3hrb h ILE 134 N 0.87 1.21 -0.54 2.54 2.04 -0.79 -1.38 117.51 121.46 3hrb h ILE 134 Ca 0.16 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3hrb h ILE 134 Cb 0.54 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3hrb h ILE 134 CO 0.03 0.22 0.04 -0.07 0.00 0.00 0.00 178.15 178.37 3hrb h LEU 135 N 0.22 0.86 -0.50 1.44 3.38 -0.70 -0.10 115.31 119.91 3hrb h LEU 135 Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3hrb h LEU 135 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hrb h LEU 135 CO 0.00 0.90 0.19 -0.09 0.09 0.00 0.00 178.44 179.53 3hrb h ARG 136 N 0.84 0.75 -0.32 1.13 2.43 -0.28 0.03 114.38 118.97 3hrb h ARG 136 Ca 0.17 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3hrb h ARG 136 Cb 0.44 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3hrb h ARG 136 CO 0.02 0.68 -0.37 0.78 -1.51 0.00 0.00 179.97 179.56 3hrb h GLY 137 N 0.67 0.80 0.98 2.80 0.00 -1.09 -3.05 103.07 104.18 3hrb h GLY 137 Ca 0.17 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3hrb h GLY 137 CO -0.01 0.71 0.29 -2.00 0.00 0.00 0.00 176.54 175.53 3hrb h LEU 138 N 0.61 0.69 -0.51 3.11 5.85 -0.74 0.45 115.31 124.77 3hrb h LEU 138 Ca 0.06 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.76 3hrb h LEU 138 Cb 0.91 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3hrb h LEU 138 CO 0.08 0.60 0.12 0.50 -0.34 0.00 0.00 178.44 179.40 3hrb h LYS 139 N 0.73 0.25 -0.11 1.25 3.64 -1.01 0.43 116.57 121.76 3hrb h LYS 139 Ca 0.19 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3hrb h LYS 139 Cb 0.07 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3hrb h LYS 139 CO -0.03 0.17 0.05 -0.92 -2.27 0.00 0.00 179.45 176.45 3hrb h TYR 140 N 0.26 0.15 0.11 1.91 3.20 -1.26 0.88 116.97 122.22 3hrb h TYR 140 Ca 0.26 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3hrb h TYR 140 Cb 0.34 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3hrb h TYR 140 CO -0.22 0.20 -0.05 0.82 -1.64 0.00 0.00 178.16 177.27 3hrb h ILE 141 N 0.05 0.92 -0.43 1.81 2.04 0.42 -3.07 117.51 119.25 3hrb h ILE 141 Ca 0.04 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3hrb h ILE 141 Cb 0.11 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3hrb h ILE 141 CO -0.00 0.02 0.09 0.45 0.00 0.00 0.00 178.15 178.71 3hrb h HIS 142 N -0.19 0.66 -0.08 1.37 3.86 -0.10 -1.47 115.15 119.19 3hrb h HIS 142 Ca -0.02 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3hrb h HIS 142 Cb 0.15 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 3hrb h HIS 142 CO -0.06 0.57 0.09 0.66 0.86 0.00 0.00 177.93 180.06 3hrb h SER 143 N 0.63 0.00 -0.30 2.45 4.64 -0.72 0.06 113.55 120.30 3hrb h SER 143 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hrb h SER 143 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3hrb h SER 143 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3hrb n ALA 144 N -2.34 2.46 -3.92 5.18 0.00 -0.57 -4.77 120.51 116.56 3hrb n ALA 144 Ca -0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 3hrb n ALA 144 Cb 0.19 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.68 3hrb n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hrb n ASP 145 N 0.38 -3.18 -4.48 0.00 8.00 0.01 -3.71 116.55 113.56 3hrb n ASP 145 Ca 0.10 -0.85 -0.33 0.00 0.71 0.00 0.00 54.79 54.42 3hrb n ASP 145 Cb 0.26 -3.64 -0.13 0.00 -0.02 0.00 0.00 41.12 37.59 3hrb n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hrb s ILE 146 N -3.47 3.30 -0.18 0.53 1.01 -1.09 -5.03 121.20 116.28 3hrb s ILE 146 Ca 0.44 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 3hrb s ILE 146 Cb -0.23 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3hrb s ILE 146 CO 0.85 0.57 -0.04 -0.63 0.00 0.00 0.00 174.94 175.69 3hrb s ILE 147 N -0.41 3.71 0.01 2.92 1.01 -1.26 -3.74 121.20 123.43 3hrb s ILE 147 Ca 0.05 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 3hrb s ILE 147 Cb -0.12 -2.64 -0.15 0.00 0.01 0.00 0.00 42.46 39.55 3hrb s ILE 147 CO 0.02 0.47 1.13 -0.74 0.00 0.00 0.00 174.94 175.82 3hrb h HIS 148 N 7.17 -0.58 0.00 3.97 -0.00 -1.93 -3.20 115.15 120.58 3hrb h HIS 148 Ca -0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3hrb h HIS 148 Cb 1.19 0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 3hrb h HIS 148 CO 0.55 -0.25 0.00 2.89 -0.00 0.00 0.00 177.93 181.12 3hrb n ARG 149 N -5.23 0.00 -2.62 5.26 1.85 -1.26 -2.89 116.66 111.77 3hrb n ARG 149 Ca -0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.64 3hrb n ARG 149 Cb 0.30 -1.99 0.03 0.00 -1.05 0.00 0.00 32.46 29.75 3hrb n ARG 149 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3hrb n ASP 150 N 0.00 2.32 -4.72 2.89 2.03 -1.26 -5.00 116.55 112.82 3hrb n ASP 150 Ca 0.00 -2.80 -0.42 0.00 0.52 0.00 0.00 54.79 52.09 3hrb n ASP 150 Cb 0.00 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.88 3hrb n ASP 150 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3hrb s LEU 151 N -3.40 4.40 0.01 -2.67 2.96 -1.26 -4.85 118.68 113.86 3hrb s LEU 151 Ca 0.33 1.88 -0.29 0.00 -0.22 0.00 0.00 54.13 55.83 3hrb s LEU 151 Cb 0.41 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.62 3hrb s LEU 151 CO -0.02 -0.32 1.00 -1.59 -1.32 0.00 0.00 176.35 174.10 3hrb s LYS 152 N 0.71 0.79 0.42 1.98 -2.85 -1.26 -4.82 119.74 114.71 3hrb s LYS 152 Ca 0.54 -0.36 0.20 0.00 -1.00 0.00 0.00 55.97 55.35 3hrb s LYS 152 Cb -0.26 0.32 1.14 0.00 -2.06 0.00 0.00 37.83 36.98 3hrb s LYS 152 CO 0.30 -0.35 1.81 -1.35 0.10 0.00 0.00 175.35 175.85 3hrb h PRO 153 N 2.00 0.35 0.00 1.78 0.11 -1.94 0.50 132.00 134.79 3hrb h PRO 153 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3hrb h PRO 153 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hrb h PRO 153 CO 0.28 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 3hrb n SER 154 N -4.54 0.47 -1.44 -2.05 3.41 -1.26 -2.16 113.62 106.05 3hrb n SER 154 Ca 0.23 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.50 3hrb n SER 154 Cb 0.85 -0.68 0.33 0.00 -0.26 0.00 0.00 64.21 64.45 3hrb n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hrb n ASN 155 N -1.96 4.25 -4.20 4.04 5.03 0.16 -4.83 115.26 117.75 3hrb n ASN 155 Ca 0.05 -2.28 -0.35 0.00 0.87 0.00 0.00 54.58 52.87 3hrb n ASN 155 Cb 0.33 -0.53 -0.14 0.00 -1.02 0.00 0.00 39.78 38.42 3hrb n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hrb s LEU 156 N -1.51 3.55 -0.03 3.41 1.43 -0.92 -1.05 118.68 123.56 3hrb s LEU 156 Ca 0.48 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 3hrb s LEU 156 Cb 0.29 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 3hrb s LEU 156 CO 0.26 -0.19 0.61 0.00 0.23 0.00 0.00 176.35 177.26 3hrb s ALA 157 N 1.30 3.45 -0.04 4.21 0.00 0.94 -1.43 121.76 130.19 3hrb s ALA 157 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 3hrb s ALA 157 Cb -0.18 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.17 3hrb s ALA 157 CO -0.02 0.09 0.10 0.54 0.00 0.00 0.00 175.76 176.46 3hrb s VAL 158 N 0.11 -0.01 0.44 0.00 0.11 -0.72 -0.33 120.40 120.00 3hrb s VAL 158 Ca 0.32 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.47 3hrb s VAL 158 Cb -0.18 -0.16 0.06 0.00 -1.53 0.00 0.00 36.38 34.58 3hrb s VAL 158 CO 0.17 0.02 0.50 -0.46 -3.33 0.00 0.00 175.10 172.00 3hrb n ASN 159 N 3.29 1.93 0.31 3.54 0.23 -0.83 -3.39 115.26 120.34 3hrb n ASN 159 Ca -0.15 -2.31 0.19 0.00 -0.53 0.00 0.00 54.58 51.77 3hrb n ASN 159 Cb 0.58 -0.21 1.02 0.00 -2.08 0.00 0.00 39.78 39.09 3hrb n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hrb h GLU 160 N 0.00 0.00 -0.64 -3.83 5.08 -1.90 -1.45 114.58 111.84 3hrb h GLU 160 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3hrb h GLU 160 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3hrb h GLU 160 CO 0.35 0.02 0.00 -0.25 -1.00 0.00 0.00 179.01 178.13 3hrb n ASP 161 N -3.42 2.63 -1.44 1.42 8.00 -1.26 -4.88 116.55 117.61 3hrb n ASP 161 Ca -0.03 -2.27 -0.17 0.00 0.71 0.00 0.00 54.79 53.03 3hrb n ASP 161 Cb 0.11 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.68 3hrb n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrb s GLU 163 N -3.45 4.84 -0.03 0.00 2.02 -1.26 -4.79 118.70 116.02 3hrb s GLU 163 Ca 0.00 1.52 0.03 0.00 0.02 0.00 0.00 54.97 56.54 3hrb s GLU 163 Cb 0.00 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.96 3hrb s GLU 163 CO 0.00 0.49 -0.12 -1.17 0.02 0.00 0.00 175.26 174.47 3hrb s LEU 164 N -1.18 1.84 -0.02 1.80 0.20 -1.26 -1.97 118.68 118.08 3hrb s LEU 164 Ca 0.41 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 55.02 3hrb s LEU 164 Cb -0.27 -0.73 -0.01 0.00 -0.43 0.00 0.00 46.19 44.76 3hrb s LEU 164 CO 0.33 0.10 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.81 3hrb s LYS 165 N 0.13 1.30 -0.08 1.98 1.02 0.55 -4.27 119.74 120.37 3hrb s LYS 165 Ca -0.03 -0.51 -0.26 0.00 0.02 0.00 0.00 55.97 55.18 3hrb s LYS 165 Cb -0.10 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.98 3hrb s LYS 165 CO 0.01 0.26 0.85 0.42 -0.92 0.00 0.00 175.35 175.98 3hrb s ILE 166 N -0.16 4.92 0.25 2.17 1.01 -0.24 -0.04 121.20 129.11 3hrb s ILE 166 Ca 0.02 1.74 0.08 0.00 0.00 0.00 0.00 60.65 62.49 3hrb s ILE 166 Cb -0.08 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3hrb s ILE 166 CO 0.00 0.13 0.09 -0.76 0.00 0.00 0.00 174.94 174.40 3hrb s LEU 167 N 1.38 3.48 -1.99 2.97 1.43 -0.21 -1.31 118.68 124.43 3hrb s LEU 167 Ca 0.43 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3hrb s LEU 167 Cb -0.18 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3hrb s LEU 167 CO 0.19 -0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.23 3hrb n ASP 168 N -0.97 -5.74 -4.76 2.29 8.00 -1.26 -4.82 116.55 109.28 3hrb n ASP 168 Ca -0.07 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.24 3hrb n ASP 168 Cb 0.58 -4.91 -0.02 0.00 -0.02 0.00 0.00 41.12 36.75 3hrb n ASP 168 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hrb s PHE 169 N -2.92 3.03 0.00 1.24 -0.12 -1.26 -3.85 117.98 114.09 3hrb s PHE 169 Ca 0.00 1.29 0.00 0.00 -0.05 0.00 0.00 56.93 58.17 3hrb s PHE 169 Cb 0.00 -3.73 0.00 0.00 -0.63 0.00 0.00 43.02 38.66 3hrb s PHE 169 CO 0.00 -2.13 0.00 0.41 -0.05 0.00 0.00 175.22 173.45 3hrb n GLY 170 N 1.26 0.95 3.68 1.99 0.00 -1.14 -4.98 105.19 106.94 3hrb n GLY 170 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3hrb n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrb s LEU 171 N 0.00 4.16 -0.74 0.99 1.43 -1.25 -5.03 118.68 118.24 3hrb s LEU 171 Ca 0.00 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 3hrb s LEU 171 Cb 0.00 -2.46 0.19 0.00 0.03 0.00 0.00 46.19 43.95 3hrb s LEU 171 CO 0.00 -0.04 0.61 0.00 0.23 0.00 0.00 176.35 177.15 3hrb n ALA 172 N 4.35 3.64 0.00 4.21 0.00 -1.26 -4.86 120.51 126.59 3hrb n ALA 172 Ca -0.09 -4.59 0.00 0.00 0.00 0.00 0.00 53.44 48.75 3hrb n ALA 172 Cb 0.51 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3hrb n ALA 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hrb n ARG 173 N 1.82 3.71 -1.93 0.00 1.74 -1.26 -5.08 116.66 115.66 3hrb n ARG 173 Ca 0.22 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 3hrb n ARG 173 Cb 0.36 -0.53 -0.03 0.00 -1.02 0.00 0.00 32.46 31.25 3hrb n ARG 173 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hrb s HIS 174 N -0.93 3.01 0.67 -1.55 3.76 -1.26 -5.00 115.29 113.99 3hrb s HIS 174 Ca 0.00 0.75 -0.10 0.00 -0.15 0.00 0.00 55.06 55.56 3hrb s HIS 174 Cb 0.00 -3.92 0.01 0.00 1.11 0.00 0.00 32.58 29.78 3hrb s HIS 174 CO 0.00 -3.26 1.05 0.95 -0.85 0.00 0.00 174.74 172.63 3hrb s THR 175 N 0.67 3.62 0.26 1.30 -4.23 -1.26 -4.97 115.64 111.03 3hrb s THR 175 Ca 0.66 0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 61.52 3hrb s THR 175 Cb -0.44 -3.50 0.23 0.00 1.34 0.00 0.00 72.50 70.13 3hrb s THR 175 CO 0.37 -0.63 1.90 0.44 -0.54 0.00 0.00 174.62 176.15 3hrb h ASP 176 N -0.52 1.07 0.22 3.99 3.45 -1.99 -2.58 116.42 120.05 3hrb h ASP 176 Ca -0.45 -0.07 -0.11 0.00 0.43 0.00 0.00 57.03 56.83 3hrb h ASP 176 Cb 1.25 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.74 3hrb h ASP 176 CO 0.63 0.83 -0.42 -0.78 -1.57 0.00 0.00 179.24 177.93 3hrb h ASP 177 N 1.22 0.28 0.21 6.45 3.58 -1.95 -2.33 116.42 123.87 3hrb h ASP 177 Ca 0.31 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 3hrb h ASP 177 Cb -0.03 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 3hrb h ASP 177 CO -0.06 0.68 -0.13 -0.33 -2.88 0.00 0.00 179.24 176.52 3hrb h GLU 178 N 0.22 0.00 -0.19 0.28 5.08 -1.85 -2.92 114.58 115.20 3hrb h GLU 178 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hrb h GLU 178 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hrb h GLU 178 CO 0.07 0.13 0.00 -1.33 -1.00 0.00 0.00 179.01 176.88 3hrb n MET 179 N -4.05 2.08 -3.89 2.33 2.81 -0.89 -4.71 117.12 110.80 3hrb n MET 179 Ca -0.02 -1.60 -0.36 0.00 -1.81 0.00 0.00 57.70 53.90 3hrb n MET 179 Cb 0.21 -1.46 -0.08 0.00 -0.71 0.00 0.00 33.22 31.19 3hrb n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hrb s THR 180 N -1.76 5.26 0.00 2.03 2.01 -1.10 -4.79 115.64 117.29 3hrb s THR 180 Ca 0.34 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3hrb s THR 180 Cb 0.20 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3hrb s THR 180 CO 0.30 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 3hrb n GLY 181 N 2.74 -1.13 3.32 4.40 0.00 -1.25 -4.65 105.19 108.62 3hrb n GLY 181 Ca -0.18 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3hrb n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hrb n TYR 182 N 0.00 4.41 -4.23 1.61 9.36 -1.16 -3.80 117.16 123.35 3hrb n TYR 182 Ca 0.00 -3.13 -0.19 0.00 3.32 0.00 0.00 57.90 57.90 3hrb n TYR 182 Cb 0.00 -2.24 -0.16 0.00 -0.63 0.00 0.00 39.34 36.31 3hrb n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3hrb s VAL 183 N 1.89 0.57 0.58 2.97 -7.23 -1.26 -5.02 120.40 112.90 3hrb s VAL 183 Ca 0.44 -0.21 0.28 0.00 -1.81 0.00 0.00 61.98 60.69 3hrb s VAL 183 Cb 0.02 -0.55 0.38 0.00 0.56 0.00 0.00 36.38 36.79 3hrb s VAL 183 CO 0.01 0.21 1.98 0.00 -0.31 0.00 0.00 175.10 176.99 3hrb h ALA 184 N 6.70 2.14 0.00 1.32 0.00 -1.93 -2.73 119.26 124.76 3hrb h ALA 184 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hrb h ALA 184 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hrb h ALA 184 CO 0.48 -0.58 0.00 1.79 0.00 0.00 0.00 179.25 180.94 3hrb h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.96 -2.97 112.91 109.34 3hrb h THR 185 Ca 0.19 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 3hrb h THR 185 Cb 0.94 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3hrb h THR 185 CO -0.00 0.00 -0.36 -1.14 -0.25 0.00 0.00 175.52 173.77 3hrb n ARG 186 N -3.07 4.71 0.13 4.72 0.63 -1.03 -4.78 116.66 117.97 3hrb n ARG 186 Ca -0.03 -0.01 0.12 0.00 -0.92 0.00 0.00 57.85 57.02 3hrb n ARG 186 Cb 0.09 -0.78 0.47 0.00 0.45 0.00 0.00 32.46 32.69 3hrb n ARG 186 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3hrb n TRP 187 N -1.19 0.89 -0.14 -0.14 8.01 -1.12 -2.36 117.44 121.39 3hrb n TRP 187 Ca 0.01 0.32 0.07 0.00 -1.31 0.00 0.00 57.50 56.58 3hrb n TRP 187 Cb 0.08 -1.02 0.17 0.00 -2.01 0.00 0.00 31.31 28.54 3hrb n TRP 187 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3hrb n TYR 188 N -2.28 0.51 -3.09 -5.99 4.01 -1.26 -4.53 117.16 104.53 3hrb n TYR 188 Ca 0.03 -0.45 -0.39 0.00 -0.16 0.00 0.00 57.90 56.92 3hrb n TYR 188 Cb 0.29 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.24 3hrb n TYR 188 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hrb s ARG 189 N -1.01 4.42 0.38 -0.72 0.52 -1.00 -3.71 118.95 117.84 3hrb s ARG 189 Ca 0.27 0.97 -0.27 0.00 -0.52 0.00 0.00 55.73 56.18 3hrb s ARG 189 Cb 0.14 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 32.22 3hrb s ARG 189 CO 0.19 0.47 1.26 0.00 0.02 0.00 0.00 175.30 177.24 3hrb s ALA 190 N -0.68 3.29 0.25 2.13 0.00 -1.26 -4.79 121.76 120.70 3hrb s ALA 190 Ca 0.34 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 3hrb s ALA 190 Cb -0.21 -3.45 0.44 0.00 0.00 0.00 0.00 23.12 19.91 3hrb s ALA 190 CO 0.22 -0.67 1.80 -1.00 0.00 0.00 0.00 175.76 176.11 3hrb h PRO 191 N 2.89 0.74 0.00 0.00 0.13 -1.95 -0.24 132.00 133.57 3hrb h PRO 191 Ca -0.49 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 3hrb h PRO 191 Cb 1.24 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hrb h PRO 191 CO 0.63 0.49 -0.03 1.05 -0.23 0.00 0.00 178.00 179.91 3hrb h GLU 192 N 0.77 0.00 0.01 0.86 9.09 -1.91 -1.52 114.58 121.88 3hrb h GLU 192 Ca 0.42 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.49 3hrb h GLU 192 Cb 0.45 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.48 3hrb h GLU 192 CO -0.28 0.03 -2.14 1.51 0.05 0.00 0.00 179.01 178.19 3hrb n ILE 193 N -3.65 1.49 -0.38 -1.06 3.06 -0.81 -0.66 119.36 117.36 3hrb n ILE 193 Ca -0.03 -0.81 -0.02 0.00 -2.50 0.00 0.00 62.75 59.40 3hrb n ILE 193 Cb 0.13 -0.79 0.11 0.00 0.54 0.00 0.00 39.64 39.63 3hrb n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 3hrb h MET 194 N 0.00 1.32 -0.32 9.51 4.05 -0.35 -3.00 114.93 126.15 3hrb h MET 194 Ca -0.45 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 3hrb h MET 194 Cb 2.13 -0.30 0.00 0.00 -0.80 0.00 0.00 31.60 32.63 3hrb h MET 194 CO 0.04 0.88 0.00 1.28 0.23 0.00 0.00 176.91 179.34 3hrb n LEU 195 N -4.38 3.12 -3.78 3.39 4.77 -0.64 -5.01 117.00 114.47 3hrb n LEU 195 Ca 0.12 -2.22 -0.31 0.00 -0.03 0.00 0.00 56.01 53.58 3hrb n LEU 195 Cb 0.01 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3hrb n LEU 195 CO 0.37 0.72 -0.12 0.59 -1.33 0.00 0.00 177.39 177.61 3hrb n ASN 196 N 0.28 -3.74 0.10 -1.43 3.02 -1.13 -4.88 115.26 107.48 3hrb n ASN 196 Ca 0.13 -1.03 -0.04 0.00 -0.03 0.00 0.00 54.58 53.62 3hrb n ASN 196 Cb 0.52 -3.21 0.14 0.00 -0.61 0.00 0.00 39.78 36.62 3hrb n ASN 196 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3hrb h TRP 197 N -1.93 0.19 -2.02 3.10 6.55 -1.16 -3.45 115.95 117.22 3hrb h TRP 197 Ca -0.66 -0.07 0.16 0.00 0.95 0.00 0.00 58.89 59.27 3hrb h TRP 197 Cb 1.37 -0.03 -0.16 0.00 -0.86 0.00 0.00 29.16 29.47 3hrb h TRP 197 CO 0.38 0.72 0.60 0.00 -1.05 0.00 0.00 178.44 179.09 3hrb s MET 198 N -3.69 0.66 -0.48 0.49 0.23 -1.25 -3.00 119.30 112.27 3hrb s MET 198 Ca -0.03 -0.24 -0.26 0.00 -1.03 0.00 0.00 55.69 54.12 3hrb s MET 198 Cb 0.12 0.30 -0.07 0.00 -1.53 0.00 0.00 34.83 33.65 3hrb s MET 198 CO 0.79 -0.29 2.41 0.72 -2.03 0.00 0.00 175.02 176.61 3hrb n HIS 199 N -0.20 1.46 -1.32 3.16 8.25 -1.26 -4.85 115.22 120.46 3hrb n HIS 199 Ca -0.06 0.10 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 3hrb n HIS 199 Cb 0.61 -2.64 0.21 0.00 1.12 0.00 0.00 29.99 29.29 3hrb n HIS 199 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3hrb s TYR 200 N 11.71 1.02 0.00 4.41 -0.85 -1.26 -5.10 117.35 127.28 3hrb s TYR 200 Ca 1.00 0.52 0.00 0.00 -0.52 0.00 0.00 57.07 58.07 3hrb s TYR 200 Cb -0.23 -3.59 0.00 0.00 0.38 0.00 0.00 41.96 38.52 3hrb s TYR 200 CO 0.28 -3.41 0.00 0.27 -1.52 0.00 0.00 175.55 171.17 3hrb n ASN 201 N -4.41 0.00 0.25 -0.18 0.23 -1.26 -5.06 115.26 104.82 3hrb n ASN 201 Ca 0.12 -0.34 0.16 0.00 -0.53 0.00 0.00 54.58 53.99 3hrb n ASN 201 Cb 0.59 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.90 3hrb n ASN 201 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3hrb h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -1.99 -2.68 115.11 109.68 3hrb h GLN 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hrb h GLN 202 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3hrb h GLN 202 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.83 180.71 3hrb h THR 203 N 0.00 0.00 -0.15 1.86 1.35 -1.96 -1.76 112.91 112.25 3hrb h THR 203 Ca 0.00 -0.07 0.01 0.00 -0.55 0.00 0.00 66.41 65.80 3hrb h THR 203 Cb 0.54 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3hrb h THR 203 CO 0.00 0.00 0.10 -0.37 -0.25 0.00 0.00 175.52 175.00 3hrb h VAL 204 N 0.00 1.00 -0.10 6.82 -1.51 -1.85 -2.32 116.25 118.29 3hrb h VAL 204 Ca 0.00 -0.05 -0.13 0.00 -1.23 0.00 0.00 66.70 65.29 3hrb h VAL 204 Cb 0.09 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 3hrb h VAL 204 CO 0.00 0.03 -0.52 0.44 -1.23 0.00 0.00 177.57 176.28 3hrb h ASP 205 N 0.14 0.31 -0.49 4.19 3.32 -1.57 -2.90 116.42 119.42 3hrb h ASP 205 Ca 0.06 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 3hrb h ASP 205 Cb 0.07 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3hrb h ASP 205 CO -0.01 0.77 -0.14 0.40 -1.72 0.00 0.00 179.24 178.54 3hrb h ILE 206 N 0.22 1.27 -0.38 0.35 1.08 -1.56 -1.33 117.51 117.16 3hrb h ILE 206 Ca 0.01 -1.29 0.08 0.00 -0.39 0.00 0.00 64.86 63.26 3hrb h ILE 206 Cb 0.99 1.02 -0.08 0.00 -3.07 0.00 0.00 36.82 35.69 3hrb h ILE 206 CO 0.08 0.45 -0.12 -0.25 -0.69 0.00 0.00 178.15 177.62 3hrb h TRP 207 N 0.86 -0.28 -0.58 1.37 2.91 -1.41 -1.85 115.95 116.98 3hrb h TRP 207 Ca 0.13 0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.22 3hrb h TRP 207 Cb 0.70 0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.49 3hrb h TRP 207 CO 0.05 -0.20 0.34 0.77 -1.03 0.00 0.00 178.44 178.37 3hrb h SER 208 N -0.04 0.55 -0.68 2.65 0.02 -1.27 -2.09 113.55 112.70 3hrb h SER 208 Ca 0.19 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.22 3hrb h SER 208 Cb 0.32 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3hrb h SER 208 CO -0.41 0.38 0.35 0.58 -1.14 0.00 0.00 176.83 176.59 3hrb h VAL 209 N 0.67 0.90 -0.77 2.27 2.07 -0.88 -0.60 116.25 119.91 3hrb h VAL 209 Ca 0.24 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3hrb h VAL 209 Cb 0.05 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3hrb h VAL 209 CO -0.11 0.11 0.48 1.23 0.02 0.00 0.00 177.57 179.30 3hrb h GLY 210 N 0.62 1.11 0.83 2.17 0.00 -0.74 0.19 103.07 107.24 3hrb h GLY 210 Ca 0.32 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3hrb h GLY 210 CO -0.23 0.43 0.22 0.00 0.00 0.00 0.00 176.54 176.96 3hrb h ILE 212 N 0.44 1.25 -0.18 0.00 2.04 -0.48 -2.57 117.51 118.01 3hrb h ILE 212 Ca 0.17 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3hrb h ILE 212 Cb 0.06 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3hrb h ILE 212 CO -0.11 0.26 0.11 -0.03 0.00 0.00 0.00 178.15 178.38 3hrb h MET 213 N 0.13 0.23 -0.68 2.37 4.05 -0.55 -1.09 114.93 119.39 3hrb h MET 213 Ca 0.06 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.56 3hrb h MET 213 Cb 0.37 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 3hrb h MET 213 CO 0.01 0.16 0.32 0.00 0.23 0.00 0.00 176.91 177.63 3hrb h ALA 214 N 1.06 0.93 -0.37 0.39 0.00 -1.09 -1.48 119.26 118.70 3hrb h ALA 214 Ca 0.06 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hrb h ALA 214 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hrb h ALA 214 CO -0.01 -0.09 -0.11 1.49 0.00 0.00 0.00 179.25 180.52 3hrb h GLU 215 N 0.54 0.65 -0.30 0.00 4.81 -1.00 -1.04 114.58 118.24 3hrb h GLU 215 Ca 0.34 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3hrb h GLU 215 Cb 0.38 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3hrb h GLU 215 CO -0.28 0.74 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.55 3hrb h LEU 216 N 0.59 0.50 -0.00 1.64 3.38 -0.36 0.14 115.31 121.20 3hrb h LEU 216 Ca 0.11 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 3hrb h LEU 216 Cb 0.54 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hrb h LEU 216 CO 0.03 0.65 -0.90 -0.07 0.09 0.00 0.00 178.44 178.24 3hrb h LEU 217 N 0.48 0.80 0.00 1.67 3.38 -0.68 -2.06 115.31 118.89 3hrb h LEU 217 Ca 0.09 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3hrb h LEU 217 Cb 0.49 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hrb h LEU 217 CO 0.03 1.44 -1.77 0.35 0.09 0.00 0.00 178.44 178.57 3hrb n THR 218 N -3.97 0.00 -1.00 0.22 -2.24 -0.45 -4.48 114.28 102.36 3hrb n THR 218 Ca -0.11 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3hrb n THR 218 Cb 0.81 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3hrb n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrb n GLY 219 N 1.32 0.47 3.11 3.38 0.00 0.49 -4.56 105.19 109.41 3hrb n GLY 219 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3hrb n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrb s ARG 220 N -0.24 0.87 0.21 1.61 1.81 -1.22 -3.80 118.95 118.20 3hrb s ARG 220 Ca 0.00 -0.67 -0.32 0.00 -1.72 0.00 0.00 55.73 53.02 3hrb s ARG 220 Cb 0.00 -0.85 -0.14 0.00 -0.45 0.00 0.00 34.95 33.51 3hrb s ARG 220 CO 0.00 0.21 1.44 2.41 -0.68 0.00 0.00 175.30 178.68 3hrb n THR 221 N 2.06 0.69 -0.03 0.02 -1.04 -1.26 -4.06 114.28 110.67 3hrb n THR 221 Ca -0.17 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.05 61.51 3hrb n THR 221 Cb 0.55 -1.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.50 3hrb n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hrb h LEU 222 N 4.62 0.32 -6.38 -4.42 5.85 -1.91 -3.39 115.31 109.99 3hrb h LEU 222 Ca -0.45 -0.70 -0.59 0.00 0.84 0.00 0.00 57.88 56.97 3hrb h LEU 222 Cb 1.27 -0.10 -0.41 0.00 0.37 0.00 0.00 40.66 41.80 3hrb h LEU 222 CO 0.79 0.98 -0.75 0.49 -0.34 0.00 0.00 178.44 179.60 3hrb n PHE 223 N -4.46 2.06 -1.54 1.25 3.72 -1.26 -4.99 117.46 112.24 3hrb n PHE 223 Ca -0.09 -3.95 -0.40 0.00 -0.05 0.00 0.00 57.45 52.96 3hrb n PHE 223 Cb 0.51 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 3hrb n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3hrb n PRO 224 N 1.49 3.72 -2.00 -1.08 -0.04 -1.26 -4.67 135.00 131.16 3hrb n PRO 224 Ca 0.26 -2.54 -0.39 0.00 -0.04 0.00 0.00 63.50 60.79 3hrb n PRO 224 Cb 0.43 -2.86 0.01 0.00 -0.04 0.00 0.00 33.50 31.05 3hrb n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hrb s GLY 225 N 1.97 2.88 0.02 0.55 0.00 -1.26 -4.93 107.32 106.55 3hrb s GLY 225 Ca 0.62 1.21 0.26 0.00 0.00 0.00 0.00 44.72 46.81 3hrb s GLY 225 CO -0.07 1.74 1.59 -1.30 0.00 0.00 0.00 173.10 175.06 3hrb n THR 226 N -0.41 0.07 -3.87 0.90 -2.24 -1.26 -4.25 114.28 103.21 3hrb n THR 226 Ca 0.07 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.77 3hrb n THR 226 Cb 0.45 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3hrb n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hrb s ASP 227 N -3.22 -0.01 0.25 3.42 1.47 -1.25 -3.01 116.67 114.32 3hrb s ASP 227 Ca 0.11 -0.64 -0.06 0.00 1.18 0.00 0.00 52.55 53.15 3hrb s ASP 227 Cb 0.17 0.49 0.28 0.00 -0.34 0.00 0.00 42.92 43.52 3hrb s ASP 227 CO 0.64 -0.96 1.92 0.45 0.68 0.00 0.00 175.17 177.90 3hrb h HIS 228 N 2.00 1.22 0.01 2.11 3.86 -1.88 -0.96 115.15 121.51 3hrb h HIS 228 Ca -0.27 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 58.80 3hrb h HIS 228 Cb 1.22 -0.41 0.01 0.00 1.06 0.00 0.00 27.41 29.29 3hrb h HIS 228 CO 1.27 0.74 -0.66 0.82 0.86 0.00 0.00 177.93 180.96 3hrb h ILE 229 N 1.30 1.42 -0.87 2.45 1.08 -1.99 -0.53 117.51 120.37 3hrb h ILE 229 Ca 0.37 -2.12 0.06 0.00 -0.39 0.00 0.00 64.86 62.78 3hrb h ILE 229 Cb -0.09 2.61 -0.06 0.00 -3.07 0.00 0.00 36.82 36.21 3hrb h ILE 229 CO -0.10 0.62 0.55 -0.78 -0.69 0.00 0.00 178.15 177.75 3hrb h ASP 230 N -0.07 0.87 -0.43 1.72 3.58 -1.92 -1.46 116.42 118.72 3hrb h ASP 230 Ca -0.09 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 3hrb h ASP 230 Cb 1.38 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 3hrb h ASP 230 CO 0.13 0.57 -0.10 -0.61 -2.88 0.00 0.00 179.24 176.35 3hrb h GLN 231 N 1.01 0.82 -0.81 0.28 4.15 -1.02 -1.91 115.11 117.63 3hrb h GLN 231 Ca 0.38 -0.31 0.09 0.00 0.77 0.00 0.00 58.65 59.57 3hrb h GLN 231 Cb 0.14 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.71 3hrb h GLN 231 CO -0.16 0.94 0.46 1.25 -1.93 0.00 0.00 178.83 179.39 3hrb h LEU 232 N 0.65 0.67 -0.65 -2.39 5.85 -0.81 -1.84 115.31 116.79 3hrb h LEU 232 Ca 0.11 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3hrb h LEU 232 Cb 0.63 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3hrb h LEU 232 CO 0.04 0.38 0.10 0.11 -0.34 0.00 0.00 178.44 178.74 3hrb h LYS 233 N 0.79 1.09 -0.82 1.25 1.57 -0.90 -0.05 116.57 119.49 3hrb h LYS 233 Ca 0.39 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3hrb h LYS 233 Cb 0.35 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3hrb h LYS 233 CO -0.24 1.00 0.41 -0.07 -0.57 0.00 0.00 179.45 179.98 3hrb h LEU 234 N 1.00 1.05 -0.01 2.94 3.38 -1.02 -1.88 115.31 120.77 3hrb h LEU 234 Ca 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hrb h LEU 234 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hrb h LEU 234 CO 0.01 0.87 -0.00 0.40 0.09 0.00 0.00 178.44 179.81 3hrb h ILE 235 N 1.16 1.29 0.00 1.22 2.04 -0.86 -3.03 117.51 119.33 3hrb h ILE 235 Ca 0.28 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 3hrb h ILE 235 Cb 0.08 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3hrb h ILE 235 CO -0.04 0.22 -0.33 -0.07 0.00 0.00 0.00 178.15 177.93 3hrb h LEU 236 N -0.34 0.00 -0.59 1.44 3.38 -0.93 -0.72 115.31 117.55 3hrb h LEU 236 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hrb h LEU 236 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3hrb h LEU 236 CO 0.00 0.33 0.27 -0.09 0.09 0.00 0.00 178.44 179.05 3hrb h ARG 237 N 0.00 0.86 -0.03 1.13 9.65 -1.37 0.45 114.38 125.07 3hrb h ARG 237 Ca -0.00 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.70 3hrb h ARG 237 Cb 0.59 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3hrb h ARG 237 CO 0.04 0.71 -0.12 1.25 2.80 0.00 0.00 179.97 184.65 3hrb h LEU 238 N 0.81 0.16 -1.45 3.80 5.85 -1.29 -3.38 115.31 119.82 3hrb h LEU 238 Ca 0.20 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3hrb h LEU 238 Cb 0.14 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3hrb h LEU 238 CO -0.02 0.78 -0.19 1.33 -0.34 0.00 0.00 178.44 180.00 3hrb n VAL 239 N -4.64 0.00 0.00 1.05 0.24 -0.33 -1.23 118.33 113.42 3hrb n VAL 239 Ca -0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3hrb n VAL 239 Cb 0.39 1.35 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 3hrb n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrb n GLY 240 N 1.26 -0.13 3.82 7.63 0.00 0.16 -4.24 105.19 113.70 3hrb n GLY 240 Ca 0.11 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 3hrb n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrb s THR 241 N -2.99 4.21 0.27 2.61 -4.23 -0.61 -4.60 115.64 110.30 3hrb s THR 241 Ca 0.00 1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 61.32 3hrb s THR 241 Cb 0.00 -3.57 -0.13 0.00 1.34 0.00 0.00 72.50 70.14 3hrb s THR 241 CO 0.00 -0.55 1.40 -2.65 -0.54 0.00 0.00 174.62 172.27 3hrb n PRO 242 N -1.58 2.11 -1.10 3.99 -0.02 -1.26 -4.85 135.00 132.30 3hrb n PRO 242 Ca 0.08 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 62.13 3hrb n PRO 242 Cb 0.53 -2.40 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 3hrb n PRO 242 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hrb n GLY 243 N 1.84 -1.41 0.27 -1.23 0.00 -1.26 -4.89 105.19 98.52 3hrb n GLY 243 Ca 0.10 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 3hrb n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrb h ALA 244 N -1.90 0.83 -0.55 4.61 0.00 -2.00 -2.84 119.26 117.41 3hrb h ALA 244 Ca -0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3hrb h ALA 244 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hrb h ALA 244 CO 0.18 0.64 0.26 1.49 0.00 0.00 0.00 179.25 181.82 3hrb h GLU 245 N 0.76 0.80 -0.44 0.00 4.81 -2.02 -2.84 114.58 115.64 3hrb h GLU 245 Ca 0.11 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3hrb h GLU 245 Cb 0.72 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hrb h GLU 245 CO 0.06 0.66 -0.19 1.25 -0.73 0.00 0.00 179.01 180.05 3hrb h LEU 246 N 0.74 0.93 -0.58 1.64 5.85 -1.93 -3.17 115.31 118.79 3hrb h LEU 246 Ca 0.19 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 58.63 3hrb h LEU 246 Cb 0.13 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 3hrb h LEU 246 CO -0.02 1.12 0.01 -0.07 -0.34 0.00 0.00 178.44 179.14 3hrb h LEU 247 N 0.74 -0.22 -0.69 2.25 3.38 -1.27 -1.03 115.31 118.46 3hrb h LEU 247 Ca 0.10 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.34 3hrb h LEU 247 Cb 0.76 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 3hrb h LEU 247 CO 0.06 -0.09 0.21 0.11 0.09 0.00 0.00 178.44 178.83 3hrb h LYS 248 N 0.13 0.33 0.00 1.13 1.57 -1.49 -1.54 116.57 116.70 3hrb h LYS 248 Ca 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3hrb h LYS 248 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hrb h LYS 248 CO -0.48 0.22 0.00 0.87 -0.57 0.00 0.00 179.45 179.49 3hrb h LYS 249 N 0.34 0.00 -5.95 3.15 1.57 -1.24 -3.37 116.57 111.07 3hrb h LYS 249 Ca 0.38 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.72 3hrb h LYS 249 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 3hrb h LYS 249 CO -0.43 0.00 1.11 0.42 -0.57 0.00 0.00 179.45 179.99 3hrb s ILE 250 N -3.76 3.50 -1.01 1.86 1.01 -0.58 -4.78 121.20 117.45 3hrb s ILE 250 Ca -0.00 -0.09 0.13 0.00 0.00 0.00 0.00 60.65 60.69 3hrb s ILE 250 Cb 0.10 -4.22 0.11 0.00 0.01 0.00 0.00 42.46 38.46 3hrb s ILE 250 CO 0.49 -1.17 1.43 -1.54 0.00 0.00 0.00 174.94 174.15 3hrb n SER 251 N 12.30 0.00 -4.44 3.58 3.41 -1.19 -4.48 113.62 122.79 3hrb n SER 251 Ca 0.27 0.49 -0.44 0.00 -0.26 0.00 0.00 58.87 58.93 3hrb n SER 251 Cb 0.50 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3hrb n SER 251 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hrb s SER 252 N -2.99 6.42 0.41 4.04 0.15 -1.16 -4.90 113.70 115.65 3hrb s SER 252 Ca 0.07 -1.61 0.16 0.00 0.70 0.00 0.00 55.95 55.27 3hrb s SER 252 Cb 0.09 -2.39 1.04 0.00 -1.71 0.00 0.00 66.02 63.05 3hrb s SER 252 CO 0.24 -1.20 1.85 -0.08 1.20 0.00 0.00 173.24 175.26 3hrb h GLU 253 N 9.12 0.44 0.07 5.44 4.81 -1.93 0.49 114.58 133.01 3hrb h GLU 253 Ca -0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3hrb h GLU 253 Cb 1.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3hrb h GLU 253 CO 1.13 0.29 -0.03 1.03 -0.73 0.00 0.00 179.01 180.69 3hrb h SER 254 N 0.45 -0.08 -0.10 1.04 0.87 -1.96 -1.07 113.55 112.70 3hrb h SER 254 Ca 0.48 -0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3hrb h SER 254 Cb 1.12 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.06 3hrb h SER 254 CO -0.19 0.20 -0.14 0.00 -0.53 0.00 0.00 176.83 176.16 3hrb h ALA 255 N 0.54 -0.08 -0.53 6.23 0.00 -1.59 -2.07 119.26 121.76 3hrb h ALA 255 Ca -0.01 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3hrb h ALA 255 Cb 0.32 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3hrb h ALA 255 CO 0.02 -0.60 0.14 -0.09 0.00 0.00 0.00 179.25 178.71 3hrb h ARG 256 N -0.19 0.28 -0.84 0.00 2.43 -0.95 -1.41 114.38 113.71 3hrb h ARG 256 Ca 0.08 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3hrb h ARG 256 Cb 0.31 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3hrb h ARG 256 CO -0.21 0.18 0.56 -0.97 -1.51 0.00 0.00 179.97 178.02 3hrb h ASN 257 N 0.29 0.96 -0.20 -3.80 -0.00 -0.87 -2.25 115.58 109.71 3hrb h ASN 257 Ca 0.27 -0.02 -0.08 0.00 -0.00 0.00 0.00 56.30 56.47 3hrb h ASN 257 Cb 0.35 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 38.43 3hrb h ASN 257 CO -0.32 0.69 -0.18 0.22 -0.00 0.00 0.00 177.43 177.85 3hrb h TYR 258 N 1.13 0.57 -1.01 0.67 3.20 -0.62 -3.16 116.97 117.74 3hrb h TYR 258 Ca 0.31 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 62.06 3hrb h TYR 258 Cb -0.12 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 37.96 3hrb h TYR 258 CO -0.00 0.82 0.66 0.82 -1.64 0.00 0.00 178.16 178.82 3hrb h ILE 259 N 0.15 1.15 0.00 1.81 2.04 -1.08 -0.80 117.51 120.79 3hrb h ILE 259 Ca 0.04 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hrb h ILE 259 Cb 0.71 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3hrb h ILE 259 CO 0.05 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.42 3hrb n GLN 260 N -4.46 0.17 0.16 2.37 6.02 -0.86 -1.55 117.38 119.22 3hrb n GLN 260 Ca 0.14 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.72 3hrb n GLN 260 Cb 0.12 -1.86 0.40 0.00 1.02 0.00 0.00 30.24 29.92 3hrb n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hrb h SER 261 N 0.00 0.00 -3.58 1.08 4.64 -1.11 -3.47 113.55 111.12 3hrb h SER 261 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3hrb h SER 261 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3hrb h SER 261 CO 0.00 0.00 0.21 -0.76 -0.87 0.00 0.00 176.83 175.41 3hrb s LEU 262 N -5.09 4.58 0.08 5.97 1.43 -0.60 -4.99 118.68 120.06 3hrb s LEU 262 Ca 0.07 1.69 -0.34 0.00 -1.03 0.00 0.00 54.13 54.52 3hrb s LEU 262 Cb 0.10 -3.39 -0.14 0.00 0.03 0.00 0.00 46.19 42.79 3hrb s LEU 262 CO 0.57 0.18 1.64 0.41 0.23 0.00 0.00 176.35 179.38 3hrb n THR 263 N 1.48 0.16 -1.90 5.49 -1.04 -1.26 -4.92 114.28 112.28 3hrb n THR 263 Ca -0.05 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.52 3hrb n THR 263 Cb 0.49 -1.57 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 3hrb n THR 263 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hrb s GLN 264 N 1.76 4.20 -0.01 -2.82 -0.21 -1.26 -4.92 119.66 116.39 3hrb s GLN 264 Ca 0.83 2.43 0.03 0.00 0.02 0.00 0.00 55.36 58.68 3hrb s GLN 264 Cb -0.71 -3.07 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 3hrb s GLN 264 CO 0.43 -0.51 -0.11 -1.64 -2.12 0.00 0.00 175.29 171.34 3hrb s MET 265 N -0.53 0.93 0.55 2.91 -1.94 -1.26 -4.99 119.30 114.97 3hrb s MET 265 Ca 0.61 -0.38 -0.15 0.00 -1.71 0.00 0.00 55.69 54.05 3hrb s MET 265 Cb -0.45 -0.89 -0.07 0.00 2.01 0.00 0.00 34.83 35.44 3hrb s MET 265 CO 0.46 0.21 1.00 -1.25 -0.01 0.00 0.00 175.02 175.44 3hrb s PRO 266 N -0.15 3.81 0.26 2.03 0.04 -1.26 -1.57 135.00 138.16 3hrb s PRO 266 Ca 0.02 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 3hrb s PRO 266 Cb -0.05 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3hrb s PRO 266 CO -0.00 -0.39 1.65 0.21 0.04 0.00 0.00 177.00 178.51 3hrb s LYS 267 N -4.38 4.12 0.80 4.56 2.20 -1.26 -4.03 119.74 121.74 3hrb s LYS 267 Ca 0.58 2.60 -0.11 0.00 -0.36 0.00 0.00 55.97 58.68 3hrb s LYS 267 Cb -0.11 -3.04 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 3hrb s LYS 267 CO 0.38 -0.69 1.09 -1.64 -0.36 0.00 0.00 175.35 174.14 3hrb s MET 268 N 0.08 2.07 -0.27 4.03 -1.94 -0.37 -4.89 119.30 118.02 3hrb s MET 268 Ca 0.67 0.73 -0.26 0.00 -1.71 0.00 0.00 55.69 55.12 3hrb s MET 268 Cb -0.49 -1.91 0.00 0.00 2.01 0.00 0.00 34.83 34.45 3hrb s MET 268 CO 0.43 -1.65 0.90 1.21 -0.01 0.00 0.00 175.02 175.90 3hrb s ASN 269 N -3.80 6.86 0.36 3.03 3.84 -1.26 -4.92 114.94 119.06 3hrb s ASN 269 Ca 0.61 1.02 0.14 0.00 0.21 0.00 0.00 52.86 54.84 3hrb s ASN 269 Cb -0.15 -2.47 0.70 0.00 -0.55 0.00 0.00 41.25 38.78 3hrb s ASN 269 CO 0.55 -0.63 1.79 -0.26 -2.79 0.00 0.00 177.10 175.76 3hrb h PHE 270 N 7.80 0.00 0.00 0.43 -1.00 -1.95 -2.56 116.94 119.66 3hrb h PHE 270 Ca -0.22 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.52 3hrb h PHE 270 Cb 1.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 3hrb h PHE 270 CO 0.77 0.40 -0.18 0.00 -1.61 0.00 0.00 178.31 177.69 3hrb h ALA 271 N 1.60 1.35 0.00 2.45 0.00 -1.91 0.04 119.26 122.78 3hrb h ALA 271 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hrb h ALA 271 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hrb h ALA 271 CO 0.05 0.23 -0.64 0.09 0.00 0.00 0.00 179.25 178.98 3hrb n ASN 272 N -3.81 0.59 -0.09 0.00 3.02 -0.99 -4.10 115.26 109.88 3hrb n ASN 272 Ca -0.02 -0.13 -0.18 0.00 -0.03 0.00 0.00 54.58 54.22 3hrb n ASN 272 Cb 0.28 0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 39.67 3hrb n ASN 272 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hrb h VAL 273 N 0.00 1.05 -2.39 2.41 2.07 -1.11 -3.40 116.25 114.88 3hrb h VAL 273 Ca 0.00 -2.09 -0.80 0.00 0.82 0.00 0.00 66.70 64.63 3hrb h VAL 273 Cb 0.62 2.29 -0.25 0.00 -1.52 0.00 0.00 31.29 32.43 3hrb h VAL 273 CO 0.00 0.36 1.14 0.49 0.02 0.00 0.00 177.57 179.58 3hrb n PHE 274 N -4.51 2.49 -1.77 1.57 3.72 -0.08 -5.01 117.46 113.87 3hrb n PHE 274 Ca -0.23 -2.61 -0.42 0.00 -0.05 0.00 0.00 57.45 54.14 3hrb n PHE 274 Cb 0.57 -1.36 -0.03 0.00 -0.94 0.00 0.00 39.48 37.72 3hrb n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hrb s ILE 275 N -2.76 2.25 0.00 4.37 1.01 -1.26 -2.30 121.20 122.52 3hrb s ILE 275 Ca 0.36 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.14 3hrb s ILE 275 Cb 0.11 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3hrb s ILE 275 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3hrb n GLY 276 N 3.97 1.85 3.80 6.18 0.00 -1.26 -5.04 105.19 114.69 3hrb n GLY 276 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3hrb n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrb s ALA 277 N -2.40 2.77 -0.29 4.61 0.00 -0.97 -4.94 121.76 120.54 3hrb s ALA 277 Ca 0.00 0.52 -0.41 0.00 0.00 0.00 0.00 51.96 52.07 3hrb s ALA 277 Cb 0.00 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.70 3hrb s ALA 277 CO 0.00 -0.65 1.70 -1.71 0.00 0.00 0.00 175.76 175.10 3hrb n ASN 278 N -1.60 2.17 0.10 0.00 2.85 -1.26 -4.81 115.26 112.70 3hrb n ASN 278 Ca 0.09 1.09 0.19 0.00 -0.11 0.00 0.00 54.58 55.85 3hrb n ASN 278 Cb 0.52 -1.10 0.75 0.00 1.24 0.00 0.00 39.78 41.19 3hrb n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hrb h PRO 279 N 6.74 0.00 -0.12 1.20 0.11 -1.98 0.29 132.00 138.25 3hrb h PRO 279 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3hrb h PRO 279 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hrb h PRO 279 CO 0.95 0.00 -0.67 -0.07 -0.21 0.00 0.00 178.00 178.01 3hrb h LEU 280 N 0.00 0.56 0.03 2.35 3.38 -1.98 0.40 115.31 120.05 3hrb h LEU 280 Ca 0.18 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hrb h LEU 280 Cb 0.85 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hrb h LEU 280 CO -0.00 1.07 -0.02 0.00 0.09 0.00 0.00 178.44 179.58 3hrb h ALA 281 N 0.93 -0.04 -0.06 1.53 0.00 -0.83 -0.90 119.26 119.88 3hrb h ALA 281 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hrb h ALA 281 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3hrb h ALA 281 CO 0.12 -0.48 -0.05 0.28 0.00 0.00 0.00 179.25 179.12 3hrb h VAL 282 N -0.14 0.84 -0.58 0.00 2.07 -1.23 0.86 116.25 118.08 3hrb h VAL 282 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 3hrb h VAL 282 Cb 0.12 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3hrb h VAL 282 CO 0.01 0.00 0.12 -0.78 0.02 0.00 0.00 177.57 176.94 3hrb h ASP 283 N -0.07 -0.01 -0.22 0.57 3.58 -0.88 -0.95 116.42 118.44 3hrb h ASP 283 Ca 0.04 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 3hrb h ASP 283 Cb 0.13 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3hrb h ASP 283 CO -0.10 0.01 0.01 0.25 -2.88 0.00 0.00 179.24 176.53 3hrb h LEU 284 N 0.25 0.38 -1.29 2.28 5.85 -0.49 -1.92 115.31 120.36 3hrb h LEU 284 Ca 0.30 -0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.90 3hrb h LEU 284 Cb 0.44 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3hrb h LEU 284 CO -0.39 0.58 0.59 -0.07 -0.34 0.00 0.00 178.44 178.80 3hrb h LEU 285 N 0.16 0.62 -1.30 2.25 3.38 -0.50 -0.13 115.31 119.79 3hrb h LEU 285 Ca 0.06 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3hrb h LEU 285 Cb 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hrb h LEU 285 CO 0.01 0.28 -0.25 -0.33 0.09 0.00 0.00 178.44 178.24 3hrb h GLU 286 N 0.64 0.15 0.00 1.13 5.08 -0.41 0.18 114.58 121.35 3hrb h GLU 286 Ca 0.48 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 3hrb h GLU 286 Cb 0.87 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hrb h GLU 286 CO -0.23 0.40 -0.40 0.87 -1.00 0.00 0.00 179.01 178.65 3hrb h LYS 287 N 0.14 0.00 0.10 2.33 1.57 -0.63 -3.35 116.57 116.73 3hrb h LYS 287 Ca 0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.57 3hrb h LYS 287 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3hrb h LYS 287 CO 0.04 0.06 -1.15 0.52 -0.57 0.00 0.00 179.45 178.34 3hrb h MET 288 N 0.00 0.22 -2.63 3.15 2.86 -0.45 -1.46 114.93 116.62 3hrb h MET 288 Ca -0.01 -0.37 -0.78 0.00 -2.06 0.00 0.00 59.70 56.48 3hrb h MET 288 Cb 1.06 0.14 -0.21 0.00 0.06 0.00 0.00 31.60 32.65 3hrb h MET 288 CO 0.01 1.18 1.59 1.28 1.06 0.00 0.00 176.91 182.03 3hrb n LEU 289 N -4.06 7.38 -4.49 1.22 4.77 0.56 -4.30 117.00 118.06 3hrb n LEU 289 Ca -0.22 -5.10 -0.34 0.00 -0.03 0.00 0.00 56.01 50.32 3hrb n LEU 289 Cb 0.83 -1.29 -0.12 0.00 -2.33 0.00 0.00 43.42 40.51 3hrb n LEU 289 CO 0.40 1.92 -0.35 -0.69 -1.33 0.00 0.00 177.39 177.34 3hrb s VAL 290 N -2.45 3.88 0.17 4.08 1.01 -1.26 -4.89 120.40 120.93 3hrb s VAL 290 Ca 0.43 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3hrb s VAL 290 Cb 0.16 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.88 3hrb s VAL 290 CO -0.06 0.49 1.83 0.25 0.00 0.00 0.00 175.10 177.60 3hrb h LEU 291 N 6.74 0.55 -8.88 3.92 5.85 -1.91 -3.39 115.31 118.18 3hrb h LEU 291 Ca -0.31 -0.02 -0.57 0.00 0.84 0.00 0.00 57.88 57.82 3hrb h LEU 291 Cb 1.19 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 3hrb h LEU 291 CO 0.63 0.40 0.96 -0.62 -0.34 0.00 0.00 178.44 179.47 3hrb s ASP 292 N -5.64 6.65 0.40 1.25 -1.08 -1.26 -4.90 116.67 112.09 3hrb s ASP 292 Ca -0.13 0.98 0.06 0.00 -0.52 0.00 0.00 52.55 52.94 3hrb s ASP 292 Cb 0.12 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.85 3hrb s ASP 292 CO 0.74 -1.14 2.04 0.77 0.52 0.00 0.00 175.17 178.10 3hrb h SER 293 N 9.32 0.51 -0.77 -0.34 4.64 -1.97 -1.71 113.55 123.23 3hrb h SER 293 Ca -0.25 -0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.23 3hrb h SER 293 Cb 1.09 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 3hrb h SER 293 CO 1.06 0.38 0.52 0.44 -0.87 0.00 0.00 176.83 178.36 3hrb h ASP 294 N 0.60 0.29 -0.18 4.97 3.32 -1.94 -2.73 116.42 120.75 3hrb h ASP 294 Ca 0.16 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hrb h ASP 294 Cb -0.05 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hrb h ASP 294 CO -0.03 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 177.91 3hrb n LYS 295 N -4.45 2.38 -2.26 3.56 5.02 -0.65 -4.96 118.16 116.82 3hrb n LYS 295 Ca 0.15 -2.07 -0.38 0.00 -2.02 0.00 0.00 58.31 53.99 3hrb n LYS 295 Cb 0.63 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3hrb n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hrb s ARG 296 N -1.78 4.01 0.46 1.97 0.52 -1.03 -4.99 118.95 118.12 3hrb s ARG 296 Ca 0.32 1.88 -0.24 0.00 -0.52 0.00 0.00 55.73 57.17 3hrb s ARG 296 Cb 0.21 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.93 3hrb s ARG 296 CO 0.30 -0.36 1.18 1.51 0.02 0.00 0.00 175.30 177.95 3hrb n ILE 297 N 0.03 2.86 -2.63 1.52 3.06 -0.55 -5.02 119.36 118.63 3hrb n ILE 297 Ca 0.04 -0.50 -0.21 0.00 -2.50 0.00 0.00 62.75 59.58 3hrb n ILE 297 Cb 0.46 -1.42 0.04 0.00 0.54 0.00 0.00 39.64 39.26 3hrb n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3hrb s THR 298 N -1.27 2.64 0.14 9.51 -4.23 -1.26 -4.91 115.64 116.26 3hrb s THR 298 Ca 0.65 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 3hrb s THR 298 Cb -0.49 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.37 3hrb s THR 298 CO 0.55 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.38 3hrb h ALA 299 N 0.04 0.53 -0.12 3.99 0.00 -1.93 -0.46 119.26 121.30 3hrb h ALA 299 Ca -0.42 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.43 3hrb h ALA 299 Cb 1.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hrb h ALA 299 CO 0.52 0.05 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3hrb h ALA 300 N 1.08 0.11 -0.64 0.00 0.00 -1.93 -2.05 119.26 115.82 3hrb h ALA 300 Ca 0.14 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hrb h ALA 300 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hrb h ALA 300 CO -0.02 -0.44 0.16 1.96 0.00 0.00 0.00 179.25 180.90 3hrb h GLN 301 N 0.06 1.03 -0.23 0.00 4.20 -1.92 -2.75 115.11 115.49 3hrb h GLN 301 Ca 0.05 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 3hrb h GLN 301 Cb 0.06 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3hrb h GLN 301 CO -0.08 0.93 -0.04 0.00 -0.67 0.00 0.00 178.83 178.97 3hrb h ALA 302 N 1.06 1.50 0.00 3.87 0.00 -0.93 -2.53 119.26 122.23 3hrb h ALA 302 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hrb h ALA 302 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hrb h ALA 302 CO 0.00 0.36 -0.19 -0.07 0.00 0.00 0.00 179.25 179.35 3hrb h LEU 303 N 0.34 0.00 -0.38 0.00 3.38 -1.06 -1.74 115.31 115.85 3hrb h LEU 303 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hrb h LEU 303 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hrb h LEU 303 CO 0.01 0.19 -0.11 0.00 0.09 0.00 0.00 178.44 178.62 3hrb n ALA 304 N -2.37 2.78 -1.76 1.53 0.00 -0.96 -4.74 120.51 114.99 3hrb n ALA 304 Ca -0.02 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 3hrb n ALA 304 Cb 0.28 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 3hrb n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hrb s HIS 305 N -2.35 3.29 0.60 0.00 5.04 -0.66 -4.94 115.29 116.27 3hrb s HIS 305 Ca 0.31 1.57 0.28 0.00 -1.54 0.00 0.00 55.06 55.69 3hrb s HIS 305 Cb 0.20 -3.44 1.40 0.00 0.04 0.00 0.00 32.58 30.78 3hrb s HIS 305 CO 0.45 -1.16 1.81 0.00 -2.34 0.00 0.00 174.74 173.50 3hrb h ALA 306 N 3.41 2.22 -0.48 1.58 0.00 -1.91 -1.43 119.26 122.66 3hrb h ALA 306 Ca -0.48 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3hrb h ALA 306 Cb 1.22 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3hrb h ALA 306 CO 0.65 -0.84 0.32 -0.92 0.00 0.00 0.00 179.25 178.47 3hrb h TYR 307 N 0.00 0.33 -0.72 0.00 3.20 -1.92 -2.37 116.97 115.50 3hrb h TYR 307 Ca 0.24 0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.83 3hrb h TYR 307 Cb 1.39 -0.11 -0.17 0.00 1.54 0.00 0.00 36.73 39.38 3hrb h TYR 307 CO 0.00 0.17 0.31 1.19 -1.64 0.00 0.00 178.16 178.19 3hrb n PHE 308 N -4.47 2.30 -0.29 -3.82 3.72 -0.54 -4.68 117.46 109.69 3hrb n PHE 308 Ca 0.07 -1.44 -0.02 0.00 -0.05 0.00 0.00 57.45 56.01 3hrb n PHE 308 Cb 0.31 -0.71 0.15 0.00 -0.94 0.00 0.00 39.48 38.30 3hrb n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hrb h ALA 309 N 1.84 1.29 -0.07 4.37 0.00 -1.56 0.40 119.26 125.52 3hrb h ALA 309 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hrb h ALA 309 Cb 2.32 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 3hrb h ALA 309 CO 0.75 0.60 0.02 1.96 0.00 0.00 0.00 179.25 182.58 3hrb h GLN 310 N 1.17 0.10 0.00 0.00 1.08 -1.85 -3.32 115.11 112.28 3hrb h GLN 310 Ca 0.30 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.32 3hrb h GLN 310 Cb -0.03 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3hrb h GLN 310 CO -0.05 0.10 -1.74 0.66 -0.95 0.00 0.00 178.83 176.84 3hrb n TYR 311 N -4.49 0.00 -1.70 2.96 4.01 -0.83 -5.02 117.16 112.08 3hrb n TYR 311 Ca -0.02 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.28 3hrb n TYR 311 Cb 0.11 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 3hrb n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3hrb n HIS 312 N -2.33 2.41 -3.28 -0.72 -0.00 0.13 -4.99 115.22 106.43 3hrb n HIS 312 Ca -0.16 0.36 -0.06 0.00 0.46 0.00 0.00 57.72 58.32 3hrb n HIS 312 Cb 0.77 -2.51 -0.05 0.00 -0.12 0.00 0.00 29.99 28.07 3hrb n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3hrb s ASP 313 N 0.41 -0.05 0.05 0.26 2.15 -1.26 -4.97 116.67 113.26 3hrb s ASP 313 Ca 0.68 -0.02 0.12 0.00 0.43 0.00 0.00 52.55 53.76 3hrb s ASP 313 Cb -0.60 1.32 0.51 0.00 -0.30 0.00 0.00 42.92 43.85 3hrb s ASP 313 CO 0.48 -0.32 1.37 -0.81 -0.17 0.00 0.00 175.17 175.72 3hrb n PRO 314 N 5.37 0.03 0.03 4.34 -0.04 -1.26 -1.39 135.00 142.09 3hrb n PRO 314 Ca -0.00 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3hrb n PRO 314 Cb 0.50 -1.58 0.13 0.00 -0.04 0.00 0.00 33.50 32.51 3hrb n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hrb n ASP 315 N -1.64 0.63 -2.74 3.54 8.00 -1.26 -4.17 116.55 118.91 3hrb n ASP 315 Ca 0.02 -0.11 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 3hrb n ASP 315 Cb 0.12 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.64 3hrb n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hrb n ASP 316 N -1.91 3.89 -3.17 -2.24 2.03 -0.48 -4.83 116.55 109.84 3hrb n ASP 316 Ca 0.03 -3.53 -0.23 0.00 0.52 0.00 0.00 54.79 51.59 3hrb n ASP 316 Cb 0.41 -0.52 -0.06 0.00 -0.72 0.00 0.00 41.12 40.23 3hrb n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3hrb n GLU 317 N -0.27 0.69 -1.44 -0.67 1.02 -1.22 -4.83 120.64 113.91 3hrb n GLU 317 Ca 0.31 -3.11 -0.31 0.00 -0.02 0.00 0.00 57.16 54.03 3hrb n GLU 317 Cb 0.58 -1.25 0.07 0.00 -0.02 0.00 0.00 31.44 30.82 3hrb n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hrb s PRO 318 N -0.98 2.51 0.41 3.49 0.04 -1.26 -4.98 135.00 134.24 3hrb s PRO 318 Ca 0.35 1.18 0.08 0.00 0.04 0.00 0.00 61.00 62.65 3hrb s PRO 318 Cb 0.17 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3hrb s PRO 318 CO -0.12 -1.45 0.37 0.14 0.04 0.00 0.00 177.00 175.97 3hrb s VAL 319 N -2.79 2.71 0.34 -0.36 -7.23 -1.26 -4.17 120.40 107.63 3hrb s VAL 319 Ca 0.62 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3hrb s VAL 319 Cb -0.17 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 3hrb s VAL 319 CO 0.52 -0.01 0.51 0.00 -0.31 0.00 0.00 175.10 175.81 3hrb s ALA 320 N -2.46 3.87 0.62 1.32 0.00 -1.26 -5.00 121.76 118.85 3hrb s ALA 320 Ca 0.48 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 3hrb s ALA 320 Cb -0.03 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 3hrb s ALA 320 CO 0.28 -0.02 1.06 -0.51 0.00 0.00 0.00 175.76 176.57 3hrb s ASP 321 N -4.08 5.60 0.63 0.00 1.01 -1.26 -4.73 116.67 113.84 3hrb s ASP 321 Ca 0.41 1.80 -0.18 0.00 0.71 0.00 0.00 52.55 55.29 3hrb s ASP 321 Cb -0.09 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3hrb s ASP 321 CO 0.34 -1.29 1.26 -2.16 0.21 0.00 0.00 175.17 173.52 3hrb s PRO 322 N -4.27 2.67 -0.31 8.23 0.04 -1.26 -4.67 135.00 135.42 3hrb s PRO 322 Ca 0.63 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.59 3hrb s PRO 322 Cb -0.16 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3hrb s PRO 322 CO 0.41 -1.47 0.03 -0.47 0.04 0.00 0.00 177.00 175.54 3hrb s TYR 323 N -1.51 3.28 -0.71 0.56 5.04 -1.24 -5.05 117.35 117.70 3hrb s TYR 323 Ca 0.80 -1.80 -0.26 0.00 -2.44 0.00 0.00 57.07 53.37 3hrb s TYR 323 Cb -0.34 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 39.76 3hrb s TYR 323 CO 0.38 -0.80 1.61 0.34 -1.34 0.00 0.00 175.55 175.74 3hrb s ASP 324 N 1.32 5.70 -0.31 4.32 -1.08 -1.26 -4.80 116.67 120.55 3hrb s ASP 324 Ca -0.04 -0.18 0.10 0.00 -0.52 0.00 0.00 52.55 51.91 3hrb s ASP 324 Cb -0.20 -2.55 0.68 0.00 -1.46 0.00 0.00 42.92 39.39 3hrb s ASP 324 CO -0.00 -2.13 1.72 0.00 0.52 0.00 0.00 175.17 175.27 3hrb n GLN 325 N 9.22 3.24 0.30 4.34 10.64 -1.26 -4.56 117.38 139.30 3hrb n GLN 325 Ca 0.16 -3.07 0.19 0.00 -1.83 0.00 0.00 57.00 52.45 3hrb n GLN 325 Cb 0.50 -2.11 1.00 0.00 -0.86 0.00 0.00 30.24 28.78 3hrb n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hrb h SER 326 N 2.18 0.00 0.32 2.61 4.64 -2.03 -0.78 113.55 120.49 3hrb h SER 326 Ca 0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 3hrb h SER 326 Cb 2.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.26 3hrb h SER 326 CO 0.65 0.00 -0.11 2.19 -0.87 0.00 0.00 176.83 178.69 3hrb h PHE 327 N 0.00 0.00 -0.68 4.77 -0.00 -1.97 -2.87 116.94 116.20 3hrb h PHE 327 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.02 3hrb h PHE 327 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.17 3hrb h PHE 327 CO 0.00 0.11 0.45 0.93 -0.00 0.00 0.00 178.31 179.79 3hrb h GLU 328 N 0.00 0.80 -0.23 6.09 4.39 -1.51 -1.07 114.58 123.04 3hrb h GLU 328 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3hrb h GLU 328 Cb 0.30 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3hrb h GLU 328 CO 0.01 0.53 0.00 -1.13 -1.16 0.00 0.00 179.01 177.26 3hrb n SER 329 N -4.46 1.35 -4.74 1.42 3.41 -1.08 -4.86 113.62 104.66 3hrb n SER 329 Ca 0.08 -1.93 -0.35 0.00 -0.26 0.00 0.00 58.87 56.41 3hrb n SER 329 Cb 0.12 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 3hrb n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hrb s ARG 330 N -1.69 4.16 -0.25 4.33 3.52 -0.41 -5.07 118.95 123.54 3hrb s ARG 330 Ca 0.20 -0.20 -0.16 0.00 -0.13 0.00 0.00 55.73 55.44 3hrb s ARG 330 Cb 0.10 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 3hrb s ARG 330 CO 0.14 0.32 0.42 -0.51 -0.81 0.00 0.00 175.30 174.87 3hrb s ASP 331 N 0.30 6.35 0.19 -2.12 1.01 -1.26 -5.04 116.67 116.10 3hrb s ASP 331 Ca 0.09 0.41 0.01 0.00 0.71 0.00 0.00 52.55 53.77 3hrb s ASP 331 Cb -0.11 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 3hrb s ASP 331 CO -0.01 -0.19 0.04 -0.76 0.21 0.00 0.00 175.17 174.45 3hrb s LEU 332 N 1.98 1.90 0.47 1.23 1.43 -1.26 -5.16 118.68 119.27 3hrb s LEU 332 Ca 0.18 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 3hrb s LEU 332 Cb -0.15 0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.04 3hrb s LEU 332 CO 0.09 -0.64 0.87 -0.76 0.23 0.00 0.00 176.35 176.13 3hrb s LEU 333 N -3.19 3.69 0.20 1.79 1.43 -1.26 -4.92 118.68 116.41 3hrb s LEU 333 Ca 0.28 1.29 -0.22 0.00 -1.03 0.00 0.00 54.13 54.45 3hrb s LEU 333 Cb 0.07 -4.21 0.13 0.00 0.03 0.00 0.00 46.19 42.21 3hrb s LEU 333 CO 0.07 -0.52 1.56 0.40 0.23 0.00 0.00 176.35 178.08 3hrb h ILE 334 N 0.83 0.04 0.00 -0.59 2.04 -1.90 0.07 117.51 117.99 3hrb h ILE 334 Ca -0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3hrb h ILE 334 Cb 1.19 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3hrb h ILE 334 CO 0.63 0.00 0.00 0.47 0.00 0.00 0.00 178.15 179.25 3hrb n ASP 335 N -5.42 0.68 0.11 1.72 10.43 -1.26 -0.97 116.55 121.83 3hrb n ASP 335 Ca 0.06 0.64 -0.19 0.00 2.57 0.00 0.00 54.79 57.86 3hrb n ASP 335 Cb 0.36 -0.79 -0.15 0.00 1.84 0.00 0.00 41.12 42.38 3hrb n ASP 335 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3hrb h GLU 336 N 0.00 0.36 -0.61 -1.24 5.08 -1.39 -1.95 114.58 114.83 3hrb h GLU 336 Ca 0.00 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 57.71 3hrb h GLU 336 Cb 0.46 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3hrb h GLU 336 CO 0.00 1.27 0.23 -1.49 -1.00 0.00 0.00 179.01 178.02 3hrb h TRP 337 N 0.10 0.94 -0.91 4.33 -0.00 -0.64 -1.55 115.95 118.21 3hrb h TRP 337 Ca -0.21 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.59 3hrb h TRP 337 Cb 2.05 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 30.89 3hrb h TRP 337 CO 0.09 0.75 0.52 -0.22 -0.00 0.00 0.00 178.44 179.58 3hrb h LYS 338 N 0.85 1.25 -0.21 0.49 3.64 -1.07 0.12 116.57 121.63 3hrb h LYS 338 Ca 0.20 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3hrb h LYS 338 Cb 0.22 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3hrb h LYS 338 CO -0.01 0.89 -0.31 1.03 -2.27 0.00 0.00 179.45 178.78 3hrb h SER 339 N 1.26 0.64 -0.88 4.20 0.87 -1.17 0.81 113.55 119.28 3hrb h SER 339 Ca 0.32 -0.52 0.03 0.00 -1.23 0.00 0.00 61.79 60.39 3hrb h SER 339 Cb -0.01 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 3hrb h SER 339 CO -0.06 1.03 0.58 -0.07 -0.53 0.00 0.00 176.83 177.79 3hrb h LEU 340 N 0.27 0.97 0.09 2.23 3.38 -1.14 -0.38 115.31 120.72 3hrb h LEU 340 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hrb h LEU 340 Cb 0.89 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hrb h LEU 340 CO 0.07 0.68 -0.04 0.74 0.09 0.00 0.00 178.44 179.98 3hrb h THR 341 N 1.13 1.06 -0.26 0.22 2.02 -0.43 -2.40 112.91 114.25 3hrb h THR 341 Ca 0.34 -0.55 0.06 0.00 0.77 0.00 0.00 66.41 67.04 3hrb h THR 341 Cb -0.03 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 3hrb h THR 341 CO -0.09 0.13 -0.22 0.22 0.37 0.00 0.00 175.52 175.93 3hrb h TYR 342 N -0.37 -0.58 -0.68 3.16 3.20 -0.69 0.55 116.97 121.57 3hrb h TYR 342 Ca -0.01 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.04 3hrb h TYR 342 Cb 0.31 0.30 -0.12 0.00 1.54 0.00 0.00 36.73 38.76 3hrb h TYR 342 CO 0.01 -0.30 -0.05 -0.44 -1.64 0.00 0.00 178.16 175.74 3hrb h ASP 343 N -0.21 -0.41 -0.60 -2.11 5.19 -1.04 0.11 116.42 117.35 3hrb h ASP 343 Ca 0.14 0.18 -0.10 0.00 -0.62 0.00 0.00 57.03 56.64 3hrb h ASP 343 Cb 0.44 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 3hrb h ASP 343 CO -0.39 -0.17 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.21 3hrb h GLU 344 N 0.07 1.08 0.20 3.56 4.39 -0.77 0.38 114.58 123.48 3hrb h GLU 344 Ca 0.35 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3hrb h GLU 344 Cb 0.58 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3hrb h GLU 344 CO -0.63 1.06 -0.22 0.28 -1.16 0.00 0.00 179.01 178.34 3hrb h VAL 345 N 0.98 0.52 0.00 3.13 2.07 0.20 -3.09 116.25 120.06 3hrb h VAL 345 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3hrb h VAL 345 Cb 0.59 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hrb h VAL 345 CO 0.03 0.00 0.00 0.16 0.02 0.00 0.00 177.57 177.78 3hrb h ILE 346 N -0.46 0.00 -0.09 4.57 3.07 -0.64 -3.01 117.51 120.95 3hrb h ILE 346 Ca 0.00 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3hrb h ILE 346 Cb 0.44 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3hrb h ILE 346 CO -0.07 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.49 3hrb n SER 347 N -2.34 1.97 -4.71 2.16 3.41 0.11 -4.95 113.62 109.27 3hrb n SER 347 Ca 0.05 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.55 3hrb n SER 347 Cb 0.39 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3hrb n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hrb s PHE 348 N -1.90 3.10 -0.19 7.33 5.36 -1.14 -5.01 117.98 125.53 3hrb s PHE 348 Ca 0.35 0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 57.08 3hrb s PHE 348 Cb 0.20 -3.77 -0.02 0.00 -0.34 0.00 0.00 43.02 39.09 3hrb s PHE 348 CO 0.31 -2.80 -0.02 0.08 -1.46 0.00 0.00 175.22 171.33 3hrb s VAL 349 N 1.34 3.79 0.64 3.12 1.01 -1.26 -5.07 120.40 123.98 3hrb s VAL 349 Ca 0.67 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 3hrb s VAL 349 Cb -0.39 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3hrb s VAL 349 CO 0.30 0.45 1.13 -2.16 0.00 0.00 0.00 175.10 174.82 3hrb s PRO 350 N 0.87 2.83 0.95 2.72 0.04 -1.26 -5.03 135.00 136.12 3hrb s PRO 350 Ca -0.00 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 3hrb s PRO 350 Cb -0.14 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.61 3hrb s PRO 350 CO 0.02 -1.24 1.14 -1.25 0.04 0.00 0.00 177.00 175.70 3hrb s PRO 351 N -3.88 0.81 0.00 0.56 0.04 -1.26 -5.16 135.00 126.11 3hrb s PRO 351 Ca 0.69 0.26 0.24 0.00 0.04 0.00 0.00 61.00 62.23 3hrb s PRO 351 Cb -0.23 -1.80 1.41 0.00 0.04 0.00 0.00 34.50 33.92 3hrb s PRO 351 CO 0.39 -2.41 1.78 -2.30 0.04 0.00 0.00 177.00 174.49