#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wel h MET 0 N 0.00 0.04 0.00 4.33 -1.53 -1.97 -0.54 114.93 115.25 2wel h MET 0 Ca 0.00 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2wel h MET 0 Cb 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.04 2wel h MET 0 CO 0.00 0.03 0.00 0.25 0.14 0.00 0.00 176.91 177.33 2wel n THR 11 N -5.31 0.61 0.17 -0.77 -2.24 -1.26 0.00 114.28 105.48 2wel n THR 11 Ca 0.05 0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 2wel n THR 11 Cb 0.27 -0.82 0.08 0.00 -2.10 0.00 0.00 70.33 67.76 2wel n THR 11 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2wel h ASP 12 N 0.00 0.00 0.00 3.42 3.32 -1.59 -3.38 116.42 118.19 2wel h ASP 12 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 2wel h ASP 12 Cb 0.43 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 2wel h ASP 12 CO 0.00 0.23 -2.15 -0.62 -1.72 0.00 0.00 179.24 174.98 2wel n GLU 13 N -3.09 1.24 -4.57 3.56 1.02 -0.13 -4.84 120.64 113.83 2wel n GLU 13 Ca 0.02 -0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 2wel n GLU 13 Cb 0.63 -1.43 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 2wel n GLU 13 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wel s TYR 14 N -2.41 1.27 -0.18 -0.32 1.51 0.10 -0.92 117.35 116.40 2wel s TYR 14 Ca -0.09 -0.35 -0.19 0.00 -1.01 0.00 0.00 57.07 55.43 2wel s TYR 14 Cb 0.05 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 2wel s TYR 14 CO 0.68 -0.14 0.53 -1.14 -1.11 0.00 0.00 175.55 174.37 2wel s GLN 15 N 0.19 4.22 -0.00 -0.62 2.00 -0.10 -4.29 119.66 121.06 2wel s GLN 15 Ca -0.04 0.45 -0.10 0.00 -2.00 0.00 0.00 55.36 53.67 2wel s GLN 15 Cb -0.10 -3.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 2wel s GLN 15 CO 0.01 -0.11 0.32 -0.51 -0.50 0.00 0.00 175.29 174.50 2wel s LEU 16 N 1.50 4.40 0.00 3.68 1.43 -1.26 -1.03 118.68 127.41 2wel s LEU 16 Ca 0.25 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 2wel s LEU 16 Cb -0.15 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2wel s LEU 16 CO 0.10 0.29 0.00 0.49 0.23 0.00 0.00 176.35 177.46 2wel n PHE 17 N 1.45 0.00 -1.88 0.29 3.01 0.13 -4.98 117.46 115.48 2wel n PHE 17 Ca -0.13 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.01 2wel n PHE 17 Cb 0.53 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 2wel n PHE 17 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2wel s GLU 18 N 4.69 3.21 0.18 -1.08 1.03 -1.26 -4.54 118.70 120.94 2wel s GLU 18 Ca 0.00 1.09 -0.30 0.00 0.03 0.00 0.00 54.97 55.79 2wel s GLU 18 Cb 0.00 -2.02 -0.09 0.00 -0.80 0.00 0.00 34.13 31.22 2wel s GLU 18 CO 0.00 -0.89 1.33 -2.00 -1.33 0.00 0.00 175.26 172.37 2wel s GLU 19 N -4.45 4.37 -0.10 -4.83 2.12 -1.26 -1.34 118.70 113.20 2wel s GLU 19 Ca 0.61 2.07 0.14 0.00 0.36 0.00 0.00 54.97 58.15 2wel s GLU 19 Cb -0.15 -3.20 -0.20 0.00 0.26 0.00 0.00 34.13 30.84 2wel s GLU 19 CO 0.44 -0.30 0.15 1.28 -0.54 0.00 0.00 175.26 176.28 2wel n LEU 20 N 2.88 0.00 -3.69 2.70 4.77 0.10 -4.91 117.00 118.86 2wel n LEU 20 Ca 0.07 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.09 2wel n LEU 20 Cb 0.43 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2wel n LEU 20 CO 0.58 0.24 1.21 -0.83 -1.33 0.00 0.00 177.39 177.27 2wel s GLY 21 N -4.48 -0.43 0.16 -0.72 0.00 -1.05 -4.98 107.32 95.82 2wel s GLY 21 Ca -0.07 0.74 0.07 0.00 0.00 0.00 0.00 44.72 45.46 2wel s GLY 21 CO 0.62 2.00 -0.15 0.54 0.00 0.00 0.00 173.10 176.12 2wel s LYS 22 N -2.02 1.18 0.00 2.90 1.02 -1.26 0.12 119.74 121.68 2wel s LYS 22 Ca 0.20 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.78 2wel s LYS 22 Cb 0.06 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 2wel s LYS 22 CO -0.06 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2wel n GLY 23 N 0.11 3.39 3.64 -3.33 0.00 0.17 -4.91 105.19 104.26 2wel n GLY 23 Ca -0.12 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 2wel n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wel s ALA 24 N -1.63 3.45 -1.55 4.61 0.00 -1.26 -2.57 121.76 122.81 2wel s ALA 24 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2wel s ALA 24 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2wel s ALA 24 CO 0.00 -1.63 0.00 1.19 0.00 0.00 0.00 175.76 175.32 2wel n PHE 25 N 7.65 -1.11 -3.55 0.00 3.72 -1.26 -4.92 117.46 117.99 2wel n PHE 25 Ca 0.17 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.44 2wel n PHE 25 Cb 0.45 -3.55 -0.05 0.00 -0.94 0.00 0.00 39.48 35.39 2wel n PHE 25 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2wel s SER 26 N -2.06 -0.44 0.11 4.37 1.04 -1.06 -1.25 113.70 114.41 2wel s SER 26 Ca 0.00 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.57 2wel s SER 26 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2wel s SER 26 CO 0.00 -0.78 -0.16 0.68 0.98 0.00 0.00 173.24 173.96 2wel s VAL 27 N -2.87 1.43 -0.13 5.02 -7.23 -0.61 0.45 120.40 116.47 2wel s VAL 27 Ca -0.03 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2wel s VAL 27 Cb -0.00 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2wel s VAL 27 CO -0.05 -0.29 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.62 2wel s VAL 28 N -1.73 2.95 0.05 1.32 1.01 0.12 0.36 120.40 124.47 2wel s VAL 28 Ca 0.07 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2wel s VAL 28 Cb -0.07 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2wel s VAL 28 CO 0.04 0.53 -0.21 -0.13 0.00 0.00 0.00 175.10 175.33 2wel s ARG 29 N 0.35 1.37 0.41 2.72 0.52 -0.11 0.03 118.95 124.24 2wel s ARG 29 Ca -0.12 -0.96 -0.26 0.00 -0.52 0.00 0.00 55.73 53.87 2wel s ARG 29 Cb -0.16 -1.50 -0.09 0.00 0.52 0.00 0.00 34.95 33.72 2wel s ARG 29 CO 0.06 0.38 1.30 0.50 0.02 0.00 0.00 175.30 177.56 2wel s ARG 30 N -1.24 3.94 0.21 3.54 3.52 -0.45 -0.40 118.95 128.07 2wel s ARG 30 Ca 0.07 2.15 -0.06 0.00 -0.13 0.00 0.00 55.73 57.77 2wel s ARG 30 Cb -0.09 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2wel s ARG 30 CO 0.02 -0.52 0.26 0.00 -0.81 0.00 0.00 175.30 174.25 2wel s MET 32 N -4.09 0.05 0.01 0.00 1.75 -0.19 -1.04 119.30 115.78 2wel s MET 32 Ca 0.31 0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 54.79 2wel s MET 32 Cb 0.04 -0.21 -0.07 0.00 2.84 0.00 0.00 34.83 37.43 2wel s MET 32 CO 0.10 -0.18 1.60 0.21 -0.65 0.00 0.00 175.02 176.10 2wel s LYS 33 N 1.25 4.21 0.09 4.11 2.47 -0.17 -0.92 119.74 130.77 2wel s LYS 33 Ca -0.08 2.20 -0.28 0.00 -1.56 0.00 0.00 55.97 56.25 2wel s LYS 33 Cb -0.12 -3.75 -0.15 0.00 -1.46 0.00 0.00 37.83 32.35 2wel s LYS 33 CO -0.05 -0.75 1.67 0.82 0.16 0.00 0.00 175.35 177.20 2wel h ILE 34 N 5.14 0.60 0.00 5.43 2.04 -1.35 0.19 117.51 129.56 2wel h ILE 34 Ca -0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2wel h ILE 34 Cb 1.19 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2wel h ILE 34 CO 0.93 0.00 0.00 1.55 0.00 0.00 0.00 178.15 180.63 2wel h PRO 35 N -0.47 0.00 0.00 2.37 0.13 -1.92 -3.35 132.00 128.76 2wel h PRO 35 Ca -0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.95 2wel h PRO 35 Cb 0.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 2wel h PRO 35 CO 0.03 0.00 -1.71 0.25 -0.23 0.00 0.00 178.00 176.34 2wel n THR 36 N -2.99 0.57 -0.85 1.56 -2.24 -1.09 -5.02 114.28 104.22 2wel n THR 36 Ca 0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2wel n THR 36 Cb 0.35 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2wel n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wel n GLY 37 N 2.18 1.02 3.74 3.38 0.00 0.04 -5.02 105.19 110.54 2wel n GLY 37 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2wel n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wel s GLN 38 N -0.12 4.61 0.09 1.61 -0.21 -1.26 -4.78 119.66 119.60 2wel s GLN 38 Ca 0.00 1.73 -0.04 0.00 0.02 0.00 0.00 55.36 57.07 2wel s GLN 38 Cb 0.00 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.70 2wel s GLN 38 CO 0.00 0.11 0.31 -1.21 -2.12 0.00 0.00 175.29 172.38 2wel s GLU 39 N -0.59 3.57 0.30 2.91 2.02 -1.26 -1.00 118.70 124.65 2wel s GLU 39 Ca 0.48 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.31 2wel s GLU 39 Cb -0.30 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2wel s GLU 39 CO 0.36 0.55 0.33 0.71 0.02 0.00 0.00 175.26 177.23 2wel s TYR 40 N -1.52 1.31 -0.25 1.61 2.02 -0.21 -4.53 117.35 115.78 2wel s TYR 40 Ca 0.36 -1.42 -0.06 0.00 -0.37 0.00 0.00 57.07 55.58 2wel s TYR 40 Cb -0.13 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2wel s TYR 40 CO 0.23 -0.92 0.03 0.00 -1.57 0.00 0.00 175.55 173.33 2wel s ALA 41 N -3.50 3.02 -0.30 3.71 0.00 -0.25 -1.29 121.76 123.16 2wel s ALA 41 Ca 0.36 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 2wel s ALA 41 Cb 0.02 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2wel s ALA 41 CO 0.21 -0.60 0.30 0.00 0.00 0.00 0.00 175.76 175.67 2wel s ALA 42 N 1.53 3.53 -0.26 0.00 0.00 0.47 -0.32 121.76 126.72 2wel s ALA 42 Ca 0.05 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 2wel s ALA 42 Cb -0.15 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 2wel s ALA 42 CO 0.01 -0.75 0.69 0.21 0.00 0.00 0.00 175.76 175.93 2wel s LYS 43 N 1.94 4.11 -0.34 0.00 2.20 0.18 -0.93 119.74 126.90 2wel s LYS 43 Ca 0.11 0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 56.29 2wel s LYS 43 Cb -0.16 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2wel s LYS 43 CO 0.11 -0.46 0.12 0.42 -0.36 0.00 0.00 175.35 175.18 2wel s ILE 44 N 2.63 4.02 -0.22 5.43 1.01 0.16 -1.61 121.20 132.61 2wel s ILE 44 Ca 0.29 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 2wel s ILE 44 Cb -0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2wel s ILE 44 CO 0.08 -0.13 0.11 -0.63 0.00 0.00 0.00 174.94 174.37 2wel s ILE 45 N 1.46 4.95 -0.74 2.92 1.01 0.01 -1.57 121.20 129.23 2wel s ILE 45 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 2wel s ILE 45 Cb -0.19 -3.28 0.05 0.00 0.01 0.00 0.00 42.46 39.05 2wel s ILE 45 CO 0.04 0.38 1.16 0.21 0.00 0.00 0.00 174.94 176.72 2wel s ASN 46 N 0.97 6.22 0.11 3.58 3.84 -0.38 -1.07 114.94 128.21 2wel s ASN 46 Ca 0.06 -0.84 0.26 0.00 0.21 0.00 0.00 52.86 52.54 2wel s ASN 46 Cb -0.14 -2.49 0.99 0.00 -0.55 0.00 0.00 41.25 39.06 2wel s ASN 46 CO 0.03 -1.61 1.81 0.35 -2.79 0.00 0.00 177.10 174.89 2wel n THR 47 N 6.19 0.40 0.30 -5.21 -2.24 -0.05 -2.34 114.28 111.33 2wel n THR 47 Ca 0.04 -0.07 0.18 0.00 -2.27 0.00 0.00 64.05 61.92 2wel n THR 47 Cb 0.48 -0.64 0.96 0.00 -2.10 0.00 0.00 70.33 69.03 2wel n THR 47 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wel h LYS 48 N 0.00 0.00 -0.02 -0.78 1.57 -1.89 -2.60 116.57 112.85 2wel h LYS 48 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wel h LYS 48 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2wel h LYS 48 CO 0.00 0.03 -0.19 1.63 -0.57 0.00 0.00 179.45 180.35 2wel n LYS 49 N -3.44 1.45 -3.57 3.15 5.02 -0.99 -4.93 118.16 114.86 2wel n LYS 49 Ca -0.02 -1.03 -0.37 0.00 -2.02 0.00 0.00 58.31 54.87 2wel n LYS 49 Cb 0.14 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2wel n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wel s LEU 50 N -2.26 4.30 1.04 -0.35 1.43 -0.98 -5.08 118.68 116.77 2wel s LEU 50 Ca 0.27 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2wel s LEU 50 Cb 0.20 -2.37 0.21 0.00 0.03 0.00 0.00 46.19 44.26 2wel s LEU 50 CO 0.44 0.17 1.07 -0.94 0.23 0.00 0.00 176.35 177.32 2wel s SER 51 N 0.07 2.05 0.25 2.29 1.04 -1.26 -4.80 113.70 113.33 2wel s SER 51 Ca 0.17 1.60 -0.04 0.00 0.48 0.00 0.00 55.95 58.16 2wel s SER 51 Cb -0.13 -2.27 0.35 0.00 0.10 0.00 0.00 66.02 64.06 2wel s SER 51 CO 0.05 -3.55 1.87 0.00 0.98 0.00 0.00 173.24 172.60 2wel h ALA 52 N -2.17 1.26 -0.36 5.32 0.00 -1.98 -0.57 119.26 120.76 2wel h ALA 52 Ca -0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wel h ALA 52 Cb 1.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2wel h ALA 52 CO 0.50 0.38 0.24 -0.09 0.00 0.00 0.00 179.25 180.28 2wel h ARG 53 N 1.09 0.48 -0.27 0.00 2.43 -1.99 0.83 114.38 116.95 2wel h ARG 53 Ca 0.39 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.44 2wel h ARG 53 Cb 0.13 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2wel h ARG 53 CO -0.16 0.33 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.98 2wel h ASP 54 N 0.49 0.50 -0.18 -3.80 3.32 -1.79 -1.90 116.42 113.06 2wel h ASP 54 Ca 0.13 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2wel h ASP 54 Cb -0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2wel h ASP 54 CO -0.03 0.72 -0.23 -0.74 -1.72 0.00 0.00 179.24 177.24 2wel h HIS 55 N 0.45 0.70 -0.77 4.55 2.76 -0.49 -1.68 115.15 120.67 2wel h HIS 55 Ca 0.07 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2wel h HIS 55 Cb 0.61 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 2wel h HIS 55 CO 0.02 0.80 0.42 1.96 -1.30 0.00 0.00 177.93 179.83 2wel h GLN 56 N 0.55 1.08 -0.65 5.26 4.20 -0.54 -0.05 115.11 124.97 2wel h GLN 56 Ca 0.08 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2wel h GLN 56 Cb 0.69 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2wel h GLN 56 CO 0.05 0.79 0.14 0.87 -0.67 0.00 0.00 178.83 180.01 2wel h LYS 57 N 1.08 1.05 -0.68 1.46 1.57 -1.07 -1.77 116.57 118.21 2wel h LYS 57 Ca 0.27 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2wel h LYS 57 Cb 0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2wel h LYS 57 CO -0.04 0.95 0.37 1.25 -0.57 0.00 0.00 179.45 181.41 2wel h LEU 58 N 0.97 0.85 -0.23 2.94 5.85 -0.77 -0.46 115.31 124.46 2wel h LEU 58 Ca 0.20 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2wel h LEU 58 Cb 0.39 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2wel h LEU 58 CO 0.01 0.70 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.45 2wel h GLU 59 N 0.94 0.03 -0.09 1.25 5.08 -0.86 -0.04 114.58 120.89 2wel h GLU 59 Ca 0.24 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2wel h GLU 59 Cb 0.04 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wel h GLU 59 CO -0.04 0.02 0.05 -0.09 -1.00 0.00 0.00 179.01 177.95 2wel h ARG 60 N 0.04 0.13 -0.54 2.33 2.43 -1.11 -1.70 114.38 115.95 2wel h ARG 60 Ca 0.11 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2wel h ARG 60 Cb 0.16 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2wel h ARG 60 CO -0.21 0.16 0.28 1.49 -1.51 0.00 0.00 179.97 180.18 2wel h GLU 61 N 0.06 0.52 -0.30 0.20 4.81 -0.77 -0.78 114.58 118.32 2wel h GLU 61 Ca 0.03 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2wel h GLU 61 Cb 0.07 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2wel h GLU 61 CO -0.01 0.35 -0.22 0.00 -0.73 0.00 0.00 179.01 178.40 2wel h ALA 62 N 1.29 1.06 -0.44 2.92 0.00 -0.96 -0.10 119.26 123.04 2wel h ALA 62 Ca 0.24 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2wel h ALA 62 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wel h ALA 62 CO -0.16 0.57 -0.01 -0.09 0.00 0.00 0.00 179.25 179.56 2wel h ARG 63 N 0.51 0.78 -0.27 0.00 2.43 -0.81 -1.39 114.38 115.63 2wel h ARG 63 Ca 0.08 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 2wel h ARG 63 Cb 0.65 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2wel h ARG 63 CO 0.05 0.85 -0.10 0.82 -1.51 0.00 0.00 179.97 180.08 2wel h ILE 64 N 0.63 1.29 -0.48 1.20 2.04 -0.98 -2.72 117.51 118.48 2wel h ILE 64 Ca 0.12 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 2wel h ILE 64 Cb 0.51 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2wel h ILE 64 CO 0.02 0.37 0.05 0.00 0.00 0.00 0.00 178.15 178.59 2wel h ARG 66 N 0.73 1.15 -0.04 0.00 2.43 -1.20 -2.17 114.38 115.28 2wel h ARG 66 Ca 0.15 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2wel h ARG 66 Cb 0.37 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2wel h ARG 66 CO 0.01 0.80 -0.23 1.25 -1.51 0.00 0.00 179.97 180.29 2wel h LEU 67 N 1.17 0.06 -8.72 3.80 5.85 -1.14 -3.43 115.31 112.90 2wel h LEU 67 Ca 0.31 -0.01 -0.67 0.00 0.84 0.00 0.00 57.88 58.34 2wel h LEU 67 Cb -0.06 -0.02 -0.18 0.00 0.37 0.00 0.00 40.66 40.77 2wel h LEU 67 CO -0.06 0.29 -0.40 -0.76 -0.34 0.00 0.00 178.44 177.18 2wel s LEU 68 N -8.54 4.51 -0.26 2.25 1.43 -0.82 -5.03 118.68 112.22 2wel s LEU 68 Ca -0.04 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2wel s LEU 68 Cb 0.15 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 44.22 2wel s LEU 68 CO 0.72 -0.29 -0.00 -0.75 0.23 0.00 0.00 176.35 176.26 2wel s LYS 69 N 1.85 1.34 -0.15 1.70 2.20 -1.26 -4.75 119.74 120.67 2wel s LYS 69 Ca 0.08 -1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 2wel s LYS 69 Cb -0.17 -2.52 0.08 0.00 -1.51 0.00 0.00 37.83 33.71 2wel s LYS 69 CO 0.11 -0.72 0.75 -1.58 -0.36 0.00 0.00 175.35 173.55 2wel s HIS 70 N 1.41 -0.66 0.32 4.03 2.46 -1.26 -5.05 115.29 116.54 2wel s HIS 70 Ca -0.00 1.33 0.37 0.00 0.47 0.00 0.00 55.06 57.23 2wel s HIS 70 Cb -0.18 0.37 1.73 0.00 -0.13 0.00 0.00 32.58 34.36 2wel s HIS 70 CO -0.10 -0.49 2.12 -1.00 -2.47 0.00 0.00 174.74 172.80 2wel h PRO 71 N 3.66 0.00 -0.44 2.88 0.13 -1.99 -1.74 132.00 134.50 2wel h PRO 71 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 2wel h PRO 71 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2wel h PRO 71 CO 0.26 0.02 0.05 0.09 -0.23 0.00 0.00 178.00 178.18 2wel n ASN 72 N -3.14 4.48 -4.06 1.44 4.13 -1.26 -4.81 115.26 112.04 2wel n ASN 72 Ca -0.01 -3.09 -0.25 0.00 1.68 0.00 0.00 54.58 52.90 2wel n ASN 72 Cb 0.22 -0.63 -0.16 0.00 -1.54 0.00 0.00 39.78 37.67 2wel n ASN 72 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wel s ILE 73 N -2.88 1.26 0.14 2.41 1.01 -0.66 -0.70 121.20 121.79 2wel s ILE 73 Ca 0.48 -0.57 -0.32 0.00 0.00 0.00 0.00 60.65 60.25 2wel s ILE 73 Cb 0.39 -1.13 -0.11 0.00 0.01 0.00 0.00 42.46 41.61 2wel s ILE 73 CO 0.11 0.38 1.79 1.33 0.00 0.00 0.00 174.94 178.55 2wel n VAL 74 N 3.67 0.24 -3.27 2.92 0.24 -0.21 -4.58 118.33 117.34 2wel n VAL 74 Ca -0.22 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.34 61.66 2wel n VAL 74 Cb 0.52 -2.03 -0.06 0.00 -1.47 0.00 0.00 33.84 30.80 2wel n VAL 74 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wel s ARG 75 N 2.19 4.33 -0.38 7.34 6.06 -1.26 -4.94 118.95 132.29 2wel s ARG 75 Ca 0.80 0.55 -0.24 0.00 -2.50 0.00 0.00 55.73 54.33 2wel s ARG 75 Cb -0.51 -3.42 0.01 0.00 0.06 0.00 0.00 34.95 31.10 2wel s ARG 75 CO 0.36 0.20 0.85 -1.17 -2.50 0.00 0.00 175.30 173.04 2wel s LEU 76 N 0.47 4.08 0.01 -0.88 2.96 -1.26 -1.78 118.68 122.27 2wel s LEU 76 Ca 0.28 0.40 0.18 0.00 -0.22 0.00 0.00 54.13 54.77 2wel s LEU 76 Cb -0.16 -3.13 -0.18 0.00 0.50 0.00 0.00 46.19 43.23 2wel s LEU 76 CO 0.12 -0.81 0.66 1.41 -1.32 0.00 0.00 176.35 176.41 2wel n HIS 77 N 6.63 0.67 -3.60 5.38 8.25 0.15 -4.77 115.22 127.93 2wel n HIS 77 Ca 0.05 0.22 -0.14 0.00 -0.26 0.00 0.00 57.72 57.59 2wel n HIS 77 Cb 0.48 -0.98 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 2wel n HIS 77 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wel s ASP 78 N -5.52 -0.65 -0.14 0.41 1.01 -1.17 -4.99 116.67 105.62 2wel s ASP 78 Ca -0.05 1.11 -0.01 0.00 0.71 0.00 0.00 52.55 54.31 2wel s ASP 78 Cb 0.09 1.08 0.04 0.00 1.01 0.00 0.00 42.92 45.14 2wel s ASP 78 CO 0.83 -0.32 -0.02 -0.55 0.21 0.00 0.00 175.17 175.32 2wel s SER 79 N -0.11 2.48 -0.13 0.27 0.15 -1.26 -0.88 113.70 114.22 2wel s SER 79 Ca -0.02 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2wel s SER 79 Cb -0.04 -0.72 0.02 0.00 -1.71 0.00 0.00 66.02 63.58 2wel s SER 79 CO 0.02 -0.21 -0.13 -0.63 1.20 0.00 0.00 173.24 173.49 2wel s ILE 80 N 1.78 1.48 -0.26 6.45 1.01 0.23 -5.00 121.20 126.88 2wel s ILE 80 Ca 0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2wel s ILE 80 Cb -0.15 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2wel s ILE 80 CO -0.07 0.44 0.26 -0.55 0.00 0.00 0.00 174.94 175.02 2wel s SER 81 N 1.41 6.14 0.45 3.58 0.15 -1.26 -0.22 113.70 123.95 2wel s SER 81 Ca 0.03 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.85 2wel s SER 81 Cb -0.13 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2wel s SER 81 CO -0.08 -0.08 0.05 -1.61 1.20 0.00 0.00 173.24 172.72 2wel s GLU 82 N 1.72 2.03 -0.31 5.44 2.02 0.44 -5.03 118.70 125.02 2wel s GLU 82 Ca 0.11 -2.25 -0.29 0.00 0.02 0.00 0.00 54.97 52.56 2wel s GLU 82 Cb -0.15 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 2wel s GLU 82 CO 0.09 -0.36 1.73 -2.00 0.02 0.00 0.00 175.26 174.74 2wel s GLU 83 N -3.80 3.46 0.00 1.61 2.12 -1.26 -2.79 118.70 118.04 2wel s GLU 83 Ca 0.18 1.45 0.00 0.00 0.36 0.00 0.00 54.97 56.95 2wel s GLU 83 Cb 0.03 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2wel s GLU 83 CO 0.10 -1.70 0.00 0.41 -0.54 0.00 0.00 175.26 173.53 2wel n GLY 84 N 5.23 2.28 2.89 -1.50 0.00 -1.26 -4.99 105.19 107.84 2wel n GLY 84 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 2wel n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wel s PHE 85 N -3.15 0.45 -0.10 1.61 0.08 -1.12 -0.88 117.98 114.88 2wel s PHE 85 Ca 0.00 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2wel s PHE 85 Cb 0.00 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 2wel s PHE 85 CO 0.00 -0.10 -0.17 -1.58 -0.10 0.00 0.00 175.22 173.27 2wel s HIS 86 N 0.56 2.69 -0.16 0.36 5.65 -0.23 -0.42 115.29 123.75 2wel s HIS 86 Ca -0.06 -0.68 -0.01 0.00 0.25 0.00 0.00 55.06 54.56 2wel s HIS 86 Cb -0.09 -1.75 -0.01 0.00 -1.18 0.00 0.00 32.58 29.54 2wel s HIS 86 CO -0.01 -0.20 -0.10 0.71 -0.65 0.00 0.00 174.74 174.48 2wel s TYR 87 N 0.14 2.86 -0.19 3.88 2.02 0.70 -0.81 117.35 125.94 2wel s TYR 87 Ca -0.09 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 2wel s TYR 87 Cb -0.15 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2wel s TYR 87 CO 0.05 -0.31 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.04 2wel s LEU 88 N 0.67 2.34 -0.35 -1.29 1.43 -0.63 -0.60 118.68 120.24 2wel s LEU 88 Ca -0.06 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 2wel s LEU 88 Cb -0.15 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2wel s LEU 88 CO 0.02 -0.02 0.19 -0.69 0.23 0.00 0.00 176.35 176.08 2wel s VAL 89 N 1.29 4.59 0.33 -1.59 1.01 -0.06 0.48 120.40 126.45 2wel s VAL 89 Ca 0.04 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.39 2wel s VAL 89 Cb -0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2wel s VAL 89 CO -0.11 -0.13 0.09 -0.36 0.00 0.00 0.00 175.10 174.58 2wel s PHE 90 N 1.58 2.67 0.20 5.22 0.08 0.56 0.34 117.98 128.63 2wel s PHE 90 Ca 0.03 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.39 2wel s PHE 90 Cb -0.18 -1.53 -0.15 0.00 -0.57 0.00 0.00 43.02 40.58 2wel s PHE 90 CO 0.07 0.42 1.09 -0.25 -0.10 0.00 0.00 175.22 176.44 2wel n ASP 91 N -1.06 1.16 -4.72 1.36 8.00 -0.74 -1.09 116.55 119.47 2wel n ASP 91 Ca -0.04 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.20 2wel n ASP 91 Cb 0.61 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 2wel n ASP 91 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2wel s LEU 92 N 0.74 4.43 0.00 0.64 2.96 -1.26 -4.27 118.68 121.91 2wel s LEU 92 Ca 0.69 1.90 0.05 0.00 -0.22 0.00 0.00 54.13 56.56 2wel s LEU 92 Cb -0.83 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.26 2wel s LEU 92 CO 0.54 -0.27 -0.17 0.68 -1.32 0.00 0.00 176.35 175.82 2wel s VAL 93 N 0.48 1.35 -0.09 1.68 -7.23 -1.26 -4.95 120.40 110.38 2wel s VAL 93 Ca 0.52 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 2wel s VAL 93 Cb -0.26 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.54 2wel s VAL 93 CO 0.31 0.31 0.50 0.35 -0.31 0.00 0.00 175.10 176.26 2wel n THR 94 N 2.47 0.00 1.32 5.32 -2.24 -0.87 -4.70 114.28 115.59 2wel n THR 94 Ca -0.15 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2wel n THR 94 Cb 0.54 1.02 0.44 0.00 -2.10 0.00 0.00 70.33 70.23 2wel n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wel n GLY 95 N 0.10 -0.53 7.00 3.38 0.00 -0.34 -4.44 105.19 110.36 2wel n GLY 95 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2wel n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wel n GLY 96 N 1.30 -1.24 3.78 -0.02 0.00 -1.24 -4.57 105.19 103.19 2wel n GLY 96 Ca 0.14 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2wel n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wel s GLU 97 N 0.00 4.57 0.34 1.61 2.02 -1.26 -0.70 118.70 125.28 2wel s GLU 97 Ca 0.00 1.24 0.08 0.00 0.02 0.00 0.00 54.97 56.32 2wel s GLU 97 Cb 0.00 -2.98 0.80 0.00 0.10 0.00 0.00 34.13 32.05 2wel s GLU 97 CO 0.00 0.40 1.82 1.25 0.02 0.00 0.00 175.26 178.75 2wel h LEU 98 N 3.59 0.70 -0.52 1.80 5.85 -0.69 -1.71 115.31 124.33 2wel h LEU 98 Ca -0.47 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.42 2wel h LEU 98 Cb 1.20 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 2wel h LEU 98 CO 0.66 0.30 -0.18 0.15 -0.34 0.00 0.00 178.44 179.03 2wel h PHE 99 N 0.71 -0.42 -0.10 1.25 3.57 -1.70 -0.83 116.94 119.43 2wel h PHE 99 Ca 0.51 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.95 2wel h PHE 99 Cb 0.85 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2wel h PHE 99 CO -0.00 -0.27 -0.47 1.49 -2.23 0.00 0.00 178.31 176.83 2wel h GLU 100 N -0.06 0.23 -0.39 1.11 4.57 -1.64 -1.77 114.58 116.63 2wel h GLU 100 Ca 0.25 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2wel h GLU 100 Cb 0.43 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2wel h GLU 100 CO -0.56 0.66 -0.14 0.22 -1.18 0.00 0.00 179.01 178.01 2wel h ASP 101 N 0.19 0.71 -0.32 1.04 3.58 -1.06 -0.53 116.42 120.03 2wel h ASP 101 Ca 0.01 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 2wel h ASP 101 Cb 0.90 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2wel h ASP 101 CO 0.07 0.86 0.12 0.40 -2.88 0.00 0.00 179.24 177.82 2wel h ILE 102 N 0.64 1.19 -0.57 2.25 2.04 -0.84 -1.27 117.51 120.95 2wel h ILE 102 Ca 0.11 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.41 2wel h ILE 102 Cb 0.61 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2wel h ILE 102 CO 0.04 0.20 0.36 0.58 0.00 0.00 0.00 178.15 179.33 2wel h VAL 103 N 0.37 1.09 -0.60 1.67 2.07 -1.16 0.29 116.25 119.98 2wel h VAL 103 Ca 0.11 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2wel h VAL 103 Cb 0.20 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2wel h VAL 103 CO -0.01 0.13 0.12 0.00 0.02 0.00 0.00 177.57 177.83 2wel h ALA 104 N 1.24 1.08 -0.00 1.67 0.00 -0.88 -2.94 119.26 119.43 2wel h ALA 104 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wel h ALA 104 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wel h ALA 104 CO -0.08 0.60 -0.60 0.54 0.00 0.00 0.00 179.25 179.70 2wel n ARG 105 N -4.24 0.11 0.00 0.00 1.74 -0.50 -4.98 116.66 108.80 2wel n ARG 105 Ca 0.04 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2wel n ARG 105 Cb 0.26 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2wel n ARG 105 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wel n GLU 106 N -1.38 0.00 -3.75 5.56 2.13 0.99 -4.78 120.64 119.41 2wel n GLU 106 Ca 0.06 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 2wel n GLU 106 Cb 0.34 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.03 2wel n GLU 106 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2wel s TYR 107 N 0.00 -0.27 -0.01 4.31 -0.85 -1.25 -3.83 117.35 115.46 2wel s TYR 107 Ca 0.00 -0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 2wel s TYR 107 Cb 0.00 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 2wel s TYR 107 CO 0.00 -1.11 0.14 0.71 -1.52 0.00 0.00 175.55 173.77 2wel s TYR 108 N -3.82 3.45 0.99 -3.49 1.51 0.33 -5.04 117.35 111.29 2wel s TYR 108 Ca 0.09 0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 56.32 2wel s TYR 108 Cb -0.04 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 40.09 2wel s TYR 108 CO 0.02 0.61 0.50 -1.13 -1.11 0.00 0.00 175.55 174.44 2wel n SER 109 N 1.07 -1.70 -0.15 2.29 3.41 -1.26 -4.56 113.62 112.71 2wel n SER 109 Ca -0.12 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 2wel n SER 109 Cb 0.53 -1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 2wel n SER 109 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wel h GLU 110 N -1.79 0.74 -0.50 4.33 5.08 -1.96 0.29 114.58 120.78 2wel h GLU 110 Ca -0.46 -0.21 0.10 0.00 -1.00 0.00 0.00 59.36 57.79 2wel h GLU 110 Cb 1.30 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 2wel h GLU 110 CO 0.37 0.77 -0.05 0.00 -1.00 0.00 0.00 179.01 179.10 2wel h ALA 111 N 0.93 0.42 -0.08 3.43 0.00 -1.98 0.83 119.26 122.81 2wel h ALA 111 Ca 0.13 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2wel h ALA 111 Cb 0.41 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2wel h ALA 111 CO 0.01 -0.41 -0.76 -0.44 0.00 0.00 0.00 179.25 177.65 2wel h ASP 112 N 0.06 0.56 -0.44 0.00 3.32 -1.81 -2.26 116.42 115.85 2wel h ASP 112 Ca 0.25 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 2wel h ASP 112 Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2wel h ASP 112 CO -0.46 1.13 0.02 0.00 -1.72 0.00 0.00 179.24 178.22 2wel h ALA 113 N 0.85 0.59 -0.57 3.45 0.00 -0.13 -1.09 119.26 122.36 2wel h ALA 113 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2wel h ALA 113 Cb 1.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2wel h ALA 113 CO 0.14 0.35 0.25 1.03 0.00 0.00 0.00 179.25 181.02 2wel h SER 114 N 0.60 0.77 -0.73 0.00 0.87 -0.82 0.40 113.55 114.66 2wel h SER 114 Ca 0.13 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2wel h SER 114 Cb 0.46 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2wel h SER 114 CO 0.02 0.72 0.25 -0.74 -0.53 0.00 0.00 176.83 176.54 2wel h HIS 115 N 0.78 1.16 0.06 2.24 6.17 -1.30 -0.51 115.15 123.75 2wel h HIS 115 Ca 0.19 -0.11 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 2wel h HIS 115 Cb 0.17 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.76 2wel h HIS 115 CO 0.00 0.91 -0.03 0.00 0.71 0.00 0.00 177.93 179.52 2wel h ILE 117 N -0.43 1.24 -0.69 0.00 6.09 -0.86 -1.64 117.51 121.22 2wel h ILE 117 Ca -0.01 -1.11 0.03 0.00 -1.37 0.00 0.00 64.86 62.40 2wel h ILE 117 Cb 0.38 1.53 -0.05 0.00 0.47 0.00 0.00 36.82 39.15 2wel h ILE 117 CO 0.01 0.33 0.42 -0.61 -3.07 0.00 0.00 178.15 175.23 2wel h GLN 118 N 0.09 0.80 -0.40 2.19 4.15 -1.00 0.12 115.11 121.05 2wel h GLN 118 Ca 0.01 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 2wel h GLN 118 Cb 0.57 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2wel h GLN 118 CO 0.04 0.53 -0.32 1.96 -1.93 0.00 0.00 178.83 179.11 2wel h GLN 119 N 0.82 0.89 -0.73 1.69 4.20 -1.22 -1.33 115.11 119.44 2wel h GLN 119 Ca 0.28 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2wel h GLN 119 Cb 0.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2wel h GLN 119 CO -0.12 1.08 0.42 0.82 -0.67 0.00 0.00 178.83 180.36 2wel h ILE 120 N 0.75 1.21 -0.55 2.54 2.04 -0.91 -1.75 117.51 120.85 2wel h ILE 120 Ca 0.08 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 2wel h ILE 120 Cb 0.89 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2wel h ILE 120 CO 0.08 0.23 -0.02 -0.07 0.00 0.00 0.00 178.15 178.37 2wel h LEU 121 N 1.00 0.93 -0.99 1.44 3.38 -0.60 -1.25 115.31 119.21 2wel h LEU 121 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wel h LEU 121 Cb -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2wel h LEU 121 CO -0.05 1.00 0.55 -0.33 0.09 0.00 0.00 178.44 179.71 2wel h GLU 122 N 0.88 1.24 -0.55 1.13 4.39 -0.93 0.13 114.58 120.88 2wel h GLU 122 Ca 0.16 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2wel h GLU 122 Cb 0.54 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2wel h GLU 122 CO 0.03 0.87 0.07 0.66 -1.16 0.00 0.00 179.01 179.48 2wel h SER 123 N 1.26 0.89 -0.29 1.42 4.64 -0.60 -1.38 113.55 119.50 2wel h SER 123 Ca 0.33 -0.27 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2wel h SER 123 Cb -0.05 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 2wel h SER 123 CO -0.06 0.93 -0.29 0.58 -0.87 0.00 0.00 176.83 177.13 2wel h VAL 124 N 0.80 1.30 -0.78 0.95 2.07 -0.96 -1.92 116.25 117.71 2wel h VAL 124 Ca 0.16 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2wel h VAL 124 Cb 0.44 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2wel h VAL 124 CO 0.01 0.47 0.49 -1.13 0.02 0.00 0.00 177.57 177.43 2wel h ASN 125 N 0.44 0.93 -0.52 0.57 -1.24 -0.71 -0.41 115.58 114.65 2wel h ASN 125 Ca 0.05 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2wel h ASN 125 Cb 0.86 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.65 2wel h ASN 125 CO 0.07 0.71 0.29 -0.74 -1.29 0.00 0.00 177.43 176.47 2wel h HIS 126 N 1.07 0.70 -0.19 0.67 2.76 -1.00 -0.20 115.15 118.96 2wel h HIS 126 Ca 0.28 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.49 2wel h HIS 126 Cb -0.06 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 28.62 2wel h HIS 126 CO -0.01 0.51 -0.13 0.00 -1.30 0.00 0.00 177.93 177.00 2wel h HIS 128 N -0.12 0.76 -0.43 0.00 -0.00 -0.71 -0.28 115.15 114.37 2wel h HIS 128 Ca 0.11 -0.10 0.12 0.00 -0.00 0.00 0.00 60.37 60.51 2wel h HIS 128 Cb 0.29 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2wel h HIS 128 CO -0.28 0.72 0.37 -0.07 -0.00 0.00 0.00 177.93 178.67 2wel h LEU 129 N 0.58 0.00 -2.98 2.43 3.38 -1.00 -1.68 115.31 116.05 2wel h LEU 129 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wel h LEU 129 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wel h LEU 129 CO 0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.13 2wel n ASN 130 N -4.07 4.54 -1.13 -0.43 3.02 -0.26 -4.95 115.26 111.99 2wel n ASN 130 Ca 0.08 -2.35 -0.10 0.00 -0.03 0.00 0.00 54.58 52.18 2wel n ASN 130 Cb 0.56 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2wel n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wel n GLY 131 N 1.25 -0.02 3.23 7.41 0.00 -0.63 -4.95 105.19 111.49 2wel n GLY 131 Ca 0.25 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2wel n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wel s ILE 132 N -2.50 2.06 -0.20 -0.61 -1.09 -0.35 -0.59 121.20 117.91 2wel s ILE 132 Ca 0.01 -1.03 -0.03 0.00 -2.23 0.00 0.00 60.65 57.37 2wel s ILE 132 Cb -0.00 -1.77 -0.01 0.00 -1.58 0.00 0.00 42.46 39.10 2wel s ILE 132 CO 0.01 0.56 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.52 2wel s VAL 133 N 0.25 3.22 0.08 2.92 1.01 -0.44 -3.24 120.40 124.19 2wel s VAL 133 Ca -0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 2wel s VAL 133 Cb -0.17 -2.44 -0.15 0.00 0.00 0.00 0.00 36.38 33.61 2wel s VAL 133 CO 0.08 0.45 1.30 -0.74 0.00 0.00 0.00 175.10 176.19 2wel h HIS 134 N 7.88 0.88 0.00 5.22 2.76 -1.90 -0.58 115.15 129.42 2wel h HIS 134 Ca -0.40 -0.36 0.00 0.00 -2.20 0.00 0.00 60.37 57.41 2wel h HIS 134 Cb 1.17 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2wel h HIS 134 CO 0.56 1.16 0.00 0.54 -1.30 0.00 0.00 177.93 178.89 2wel n ARG 135 N -4.13 0.00 -2.73 5.26 1.74 -1.26 -2.84 116.66 112.70 2wel n ARG 135 Ca -0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.96 2wel n ARG 135 Cb 0.63 -3.14 0.04 0.00 -1.02 0.00 0.00 32.46 28.97 2wel n ARG 135 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wel n ASP 136 N 0.00 1.80 -4.69 0.55 2.03 -1.26 -4.40 116.55 110.58 2wel n ASP 136 Ca 0.00 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 2wel n ASP 136 Cb 0.00 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.88 2wel n ASP 136 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wel s LEU 137 N -3.58 4.36 -0.11 -2.67 2.01 -1.26 -4.80 118.68 112.63 2wel s LEU 137 Ca 0.29 2.48 -0.32 0.00 0.01 0.00 0.00 54.13 56.59 2wel s LEU 137 Cb 0.37 -3.56 0.12 0.00 0.01 0.00 0.00 46.19 43.13 2wel s LEU 137 CO -0.02 -0.88 1.05 -1.59 1.01 0.00 0.00 176.35 175.93 2wel s LYS 138 N 2.56 0.55 0.52 1.70 -2.85 -1.26 -4.85 119.74 116.12 2wel s LYS 138 Ca 0.73 -0.19 0.24 0.00 -1.00 0.00 0.00 55.97 55.76 2wel s LYS 138 Cb -0.40 0.25 1.44 0.00 -2.06 0.00 0.00 37.83 37.07 2wel s LYS 138 CO 0.32 -0.24 2.12 -1.35 0.10 0.00 0.00 175.35 176.30 2wel h PRO 139 N 2.03 0.00 0.00 1.78 0.11 -1.93 -0.81 132.00 133.17 2wel h PRO 139 Ca -0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 2wel h PRO 139 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wel h PRO 139 CO 0.27 0.09 -0.06 0.93 -0.21 0.00 0.00 178.00 179.02 2wel h GLU 140 N 0.00 0.00 -0.48 1.05 3.07 -1.95 -2.49 114.58 113.77 2wel h GLU 140 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wel h GLU 140 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2wel h GLU 140 CO 0.01 0.06 0.00 0.09 -1.40 0.00 0.00 179.01 177.77 2wel n ASN 141 N -3.38 4.24 -4.10 1.42 3.02 -0.31 -4.87 115.26 111.27 2wel n ASN 141 Ca -0.02 -2.53 -0.30 0.00 -0.03 0.00 0.00 54.58 51.70 2wel n ASN 141 Cb 0.20 -0.51 -0.17 0.00 -0.61 0.00 0.00 39.78 38.70 2wel n ASN 141 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wel s LEU 142 N -1.99 1.88 -0.00 3.41 1.43 -1.04 -1.02 118.68 121.36 2wel s LEU 142 Ca 0.43 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2wel s LEU 142 Cb 0.30 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 2wel s LEU 142 CO 0.18 0.03 -0.12 -0.76 0.23 0.00 0.00 176.35 175.91 2wel s LEU 143 N 0.99 2.87 -0.22 1.79 1.43 0.44 -0.41 118.68 125.58 2wel s LEU 143 Ca -0.05 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 2wel s LEU 143 Cb -0.15 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2wel s LEU 143 CO -0.03 0.29 0.50 -0.76 0.23 0.00 0.00 176.35 176.58 2wel s LEU 144 N -1.22 4.12 0.43 1.79 1.43 0.12 0.60 118.68 125.96 2wel s LEU 144 Ca 0.15 0.61 0.11 0.00 -1.03 0.00 0.00 54.13 53.97 2wel s LEU 144 Cb -0.11 -2.67 0.95 0.00 0.03 0.00 0.00 46.19 44.40 2wel s LEU 144 CO 0.05 -0.19 2.02 0.00 0.23 0.00 0.00 176.35 178.46 2wel h ALA 145 N 7.59 1.71 -3.16 4.21 0.00 -1.43 -0.88 119.26 127.29 2wel h ALA 145 Ca -0.33 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2wel h ALA 145 Cb 1.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2wel h ALA 145 CO 0.73 0.23 -0.03 -1.13 0.00 0.00 0.00 179.25 179.05 2wel n SER 146 N -4.40 -0.82 -0.29 0.00 3.41 -1.26 -2.04 113.62 108.20 2wel n SER 146 Ca -0.00 -1.96 0.15 0.00 -0.26 0.00 0.00 58.87 56.79 2wel n SER 146 Cb 0.16 1.49 0.64 0.00 -0.26 0.00 0.00 64.21 66.24 2wel n SER 146 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wel n LYS 147 N -0.30 1.32 -1.72 4.33 5.02 -1.26 -3.49 118.16 122.06 2wel n LYS 147 Ca -0.01 -0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 55.28 2wel n LYS 147 Cb 0.31 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2wel n LYS 147 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wel n SER 148 N -0.33 2.99 0.23 4.39 2.88 -1.26 -4.87 113.62 117.66 2wel n SER 148 Ca 0.19 1.20 0.18 0.00 -1.33 0.00 0.00 58.87 59.11 2wel n SER 148 Cb 0.28 -1.52 0.87 0.00 -0.75 0.00 0.00 64.21 63.09 2wel n SER 148 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wel h LYS 149 N 2.58 0.00 -0.59 -1.46 1.57 -2.05 -1.43 116.57 115.19 2wel h LYS 149 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2wel h LYS 149 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2wel h LYS 149 CO 0.62 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.91 2wel n GLY 150 N -1.35 2.94 3.77 3.86 0.00 -1.26 -5.03 105.19 108.12 2wel n GLY 150 Ca 0.01 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2wel n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wel s ALA 151 N -2.23 3.20 0.37 4.61 0.00 -0.54 -4.96 121.76 122.21 2wel s ALA 151 Ca 0.51 1.20 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 2wel s ALA 151 Cb 0.36 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2wel s ALA 151 CO 0.20 -0.83 1.37 0.00 0.00 0.00 0.00 175.76 176.50 2wel s ALA 152 N -1.30 3.44 -0.02 0.00 0.00 -1.26 -4.79 121.76 117.84 2wel s ALA 152 Ca 0.58 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.69 2wel s ALA 152 Cb -0.37 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2wel s ALA 152 CO 0.47 -0.85 0.61 0.08 0.00 0.00 0.00 175.76 176.07 2wel s VAL 153 N -1.17 4.94 -0.10 0.00 1.01 -1.26 -1.13 120.40 122.69 2wel s VAL 153 Ca 0.53 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2wel s VAL 153 Cb -0.42 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2wel s VAL 153 CO 0.55 0.38 -0.11 -0.54 0.00 0.00 0.00 175.10 175.38 2wel s LYS 154 N 0.02 1.79 0.14 2.72 1.02 0.20 -4.46 119.74 121.18 2wel s LYS 154 Ca 0.32 -0.39 -0.31 0.00 0.02 0.00 0.00 55.97 55.61 2wel s LYS 154 Cb -0.18 -1.63 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 2wel s LYS 154 CO 0.17 -0.12 1.43 -1.17 -0.92 0.00 0.00 175.35 174.74 2wel s LEU 155 N 1.19 4.37 0.00 3.17 2.96 0.12 -0.42 118.68 130.09 2wel s LEU 155 Ca -0.04 2.43 0.03 0.00 -0.22 0.00 0.00 54.13 56.33 2wel s LEU 155 Cb -0.14 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2wel s LEU 155 CO -0.03 -0.69 0.09 0.00 -1.32 0.00 0.00 176.35 174.40 2wel n ALA 156 N 3.75 0.29 -3.00 5.97 0.00 -0.19 -1.04 120.51 126.28 2wel n ALA 156 Ca 0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 2wel n ALA 156 Cb 0.41 0.67 0.05 0.00 0.00 0.00 0.00 19.45 20.58 2wel n ALA 156 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wel n ASP 157 N -2.09 -6.28 -0.58 0.00 8.00 -1.26 -4.81 116.55 109.52 2wel n ASP 157 Ca 0.00 -0.51 0.01 0.00 0.71 0.00 0.00 54.79 55.00 2wel n ASP 157 Cb 0.28 -4.67 0.06 0.00 -0.02 0.00 0.00 41.12 36.77 2wel n ASP 157 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wel n PHE 158 N -2.76 0.29 0.32 1.24 3.72 -1.26 -4.34 117.46 114.67 2wel n PHE 158 Ca -0.05 -0.11 0.19 0.00 -0.05 0.00 0.00 57.45 57.43 2wel n PHE 158 Cb 0.58 -0.12 1.05 0.00 -0.94 0.00 0.00 39.48 40.06 2wel n PHE 158 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wel h GLY 159 N 5.11 0.00 -1.18 1.37 0.00 -1.91 -1.68 103.07 104.78 2wel h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wel h GLY 159 CO 0.06 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.62 2wel n LEU 160 N -3.38 2.22 -4.74 3.11 4.77 -1.26 -4.98 117.00 112.74 2wel n LEU 160 Ca -0.03 -0.99 -0.36 0.00 -0.03 0.00 0.00 56.01 54.61 2wel n LEU 160 Cb 0.10 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2wel n LEU 160 CO 0.24 0.40 0.84 0.00 -1.33 0.00 0.00 177.39 177.54 2wel s ALA 161 N -1.27 2.41 0.09 -1.18 0.00 -0.63 -4.67 121.76 116.51 2wel s ALA 161 Ca 0.17 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.17 2wel s ALA 161 Cb 0.12 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2wel s ALA 161 CO 0.20 -1.42 -0.10 0.96 0.00 0.00 0.00 175.76 175.40 2wel s ILE 162 N -1.67 0.89 -0.22 0.00 -4.36 -0.23 -4.95 121.20 110.66 2wel s ILE 162 Ca 0.77 -1.62 -0.10 0.00 -0.26 0.00 0.00 60.65 59.45 2wel s ILE 162 Cb -0.31 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 2wel s ILE 162 CO 0.37 -0.57 0.13 -1.61 0.24 0.00 0.00 174.94 173.51 2wel s GLU 163 N -2.78 4.05 0.26 0.37 2.02 -1.26 -1.33 118.70 120.02 2wel s GLU 163 Ca 0.05 -0.29 0.12 0.00 0.02 0.00 0.00 54.97 54.86 2wel s GLU 163 Cb -0.03 -3.45 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 2wel s GLU 163 CO -0.00 0.12 -0.18 0.14 0.02 0.00 0.00 175.26 175.35 2wel s VAL 164 N 0.86 2.58 -0.41 2.63 -7.23 0.24 -5.00 120.40 114.07 2wel s VAL 164 Ca 0.07 -2.26 -0.13 0.00 -1.81 0.00 0.00 61.98 57.85 2wel s VAL 164 Cb -0.13 -2.33 0.04 0.00 0.56 0.00 0.00 36.38 34.52 2wel s VAL 164 CO 0.03 -0.33 0.27 -1.10 -0.31 0.00 0.00 175.10 173.66 2wel s GLN 165 N -3.34 2.86 4.39 4.82 -1.52 -1.26 -4.68 119.66 120.93 2wel s GLN 165 Ca 0.28 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.54 2wel s GLN 165 Cb -0.06 -3.88 0.00 0.00 -0.22 0.00 0.00 33.01 28.85 2wel s GLN 165 CO 0.15 -0.80 0.00 0.41 -0.25 0.00 0.00 175.29 174.79 2wel n GLY 166 N 5.07 2.89 1.55 3.09 0.00 -1.26 -1.40 105.19 115.13 2wel n GLY 166 Ca -0.11 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.84 2wel n GLY 166 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wel n ASP 167 N 2.16 4.61 -4.73 1.61 8.00 -1.26 -4.96 116.55 121.99 2wel n ASP 167 Ca 0.00 -2.53 -0.42 0.00 0.71 0.00 0.00 54.79 52.55 2wel n ASP 167 Cb 0.00 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 2wel n ASP 167 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wel s GLN 168 N -2.05 4.40 0.24 -1.24 -0.21 -0.49 -5.01 119.66 115.30 2wel s GLN 168 Ca 0.47 1.98 0.12 0.00 0.02 0.00 0.00 55.36 57.95 2wel s GLN 168 Cb 0.32 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 2wel s GLN 168 CO 0.20 -0.27 -0.20 -0.65 -2.12 0.00 0.00 175.29 172.24 2wel s GLN 169 N 0.35 1.65 0.32 2.91 -0.21 -1.26 -4.51 119.66 118.91 2wel s GLN 169 Ca 0.58 -1.65 -0.19 0.00 0.02 0.00 0.00 55.36 54.13 2wel s GLN 169 Cb -0.35 -1.83 0.04 0.00 1.00 0.00 0.00 33.01 31.87 2wel s GLN 169 CO 0.34 0.36 0.76 0.00 -2.12 0.00 0.00 175.29 174.63 2wel s ALA 170 N -2.16 -1.04 -0.65 6.09 0.00 -1.10 -4.80 121.76 118.11 2wel s ALA 170 Ca 0.26 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2wel s ALA 170 Cb -0.06 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.86 2wel s ALA 170 CO 0.13 -1.02 1.28 -0.46 0.00 0.00 0.00 175.76 175.69 2wel s TRP 171 N -3.24 2.40 -2.45 0.00 -0.11 -1.26 -0.99 118.94 113.28 2wel s TRP 171 Ca 0.13 0.23 0.22 0.00 1.22 0.00 0.00 56.10 57.90 2wel s TRP 171 Cb -0.06 -4.54 0.56 0.00 -1.50 0.00 0.00 33.47 27.94 2wel s TRP 171 CO 0.09 -1.87 1.46 1.19 -4.62 0.00 0.00 176.95 173.20 2wel n PHE 172 N 9.10 0.31 0.00 5.86 3.72 -1.26 -5.03 117.46 130.16 2wel n PHE 172 Ca 0.07 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2wel n PHE 172 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2wel n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wel n GLY 173 N 1.32 2.67 3.58 1.37 0.00 -1.26 -4.91 105.19 107.95 2wel n GLY 173 Ca 0.17 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2wel n GLY 173 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wel s PHE 174 N -2.37 2.64 -0.15 1.61 5.36 -1.26 -4.97 117.98 118.85 2wel s PHE 174 Ca 0.00 0.41 -0.20 0.00 -0.96 0.00 0.00 56.93 56.18 2wel s PHE 174 Cb 0.00 -4.47 0.05 0.00 -0.34 0.00 0.00 43.02 38.26 2wel s PHE 174 CO 0.00 -1.53 0.52 0.00 -1.46 0.00 0.00 175.22 172.74 2wel s ALA 175 N 4.81 -1.29 0.00 11.12 0.00 -1.26 -5.15 121.76 129.99 2wel s ALA 175 Ca 0.42 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2wel s ALA 175 Cb -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2wel s ALA 175 CO 0.25 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2wel n GLY 176 N 2.30 0.68 3.18 0.00 0.00 -1.26 -4.94 105.19 105.16 2wel n GLY 176 Ca -0.15 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 2wel n GLY 176 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wel s THR 177 N -3.15 2.01 0.24 2.61 2.01 -1.26 -5.04 115.64 113.06 2wel s THR 177 Ca 0.00 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 2wel s THR 177 Cb 0.00 -1.76 0.27 0.00 0.01 0.00 0.00 72.50 71.02 2wel s THR 177 CO 0.00 0.54 1.56 -0.65 -0.69 0.00 0.00 174.62 175.38 2wel h PRO 178 N 7.04 -0.02 0.00 4.92 0.11 -1.98 0.83 132.00 142.90 2wel h PRO 178 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wel h PRO 178 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wel h PRO 178 CO 0.51 -0.01 0.00 0.78 -0.21 0.00 0.00 178.00 179.07 2wel h GLY 179 N -0.02 0.00 -0.48 -0.55 0.00 -1.97 -2.87 103.07 97.17 2wel h GLY 179 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2wel h GLY 179 CO -0.95 0.00 -0.45 -1.72 0.00 0.00 0.00 176.54 173.42 2wel n TYR 180 N -2.56 0.00 -1.84 5.60 4.01 0.24 -4.81 117.16 117.80 2wel n TYR 180 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 2wel n TYR 180 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2wel n TYR 180 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wel s LEU 181 N -2.23 4.33 0.49 7.72 1.43 -0.92 -4.17 118.68 125.32 2wel s LEU 181 Ca 0.11 3.01 -0.13 0.00 -1.03 0.00 0.00 54.13 56.08 2wel s LEU 181 Cb 0.12 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 2wel s LEU 181 CO 0.46 -0.84 0.91 -0.94 0.23 0.00 0.00 176.35 176.18 2wel s SER 182 N -0.18 6.53 0.32 2.29 1.04 -1.26 -4.95 113.70 117.50 2wel s SER 182 Ca 0.52 1.38 0.03 0.00 0.48 0.00 0.00 55.95 58.37 2wel s SER 182 Cb -0.46 -2.43 0.63 0.00 0.10 0.00 0.00 66.02 63.86 2wel s SER 182 CO 0.62 -0.56 1.90 -0.65 0.98 0.00 0.00 173.24 175.54 2wel h PRO 183 N 0.86 0.87 -0.50 4.02 0.11 -1.89 -1.93 132.00 133.54 2wel h PRO 183 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2wel h PRO 183 Cb 1.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2wel h PRO 183 CO 0.62 0.58 0.02 1.05 -0.21 0.00 0.00 178.00 180.06 2wel h GLU 184 N 0.90 0.84 -0.43 1.05 9.09 -1.93 0.44 114.58 124.53 2wel h GLU 184 Ca 0.40 -0.22 -0.09 0.00 0.05 0.00 0.00 59.36 59.49 2wel h GLU 184 Cb 0.35 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 2wel h GLU 184 CO -0.16 0.83 -0.09 0.28 0.05 0.00 0.00 179.01 179.92 2wel h VAL 185 N 0.78 1.27 -0.03 -1.06 2.07 -1.73 0.12 116.25 117.67 2wel h VAL 185 Ca 0.15 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 2wel h VAL 185 Cb 0.45 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2wel h VAL 185 CO 0.02 0.40 -0.30 -0.07 0.02 0.00 0.00 177.57 177.64 2wel h LEU 186 N 0.66 0.05 -0.07 2.57 3.38 -0.68 -1.16 115.31 120.06 2wel h LEU 186 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wel h LEU 186 Cb 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wel h LEU 186 CO 0.04 0.36 -0.07 0.54 0.09 0.00 0.00 178.44 179.40 2wel n ARG 187 N -4.16 0.40 -2.78 1.13 1.74 0.08 -4.90 116.66 108.16 2wel n ARG 187 Ca -0.02 -0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.83 2wel n ARG 187 Cb 0.36 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.33 2wel n ARG 187 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wel n LYS 188 N -1.23 -3.41 -2.96 5.56 4.76 -0.44 -5.03 118.16 115.41 2wel n LYS 188 Ca 0.12 0.63 -0.25 0.00 -2.87 0.00 0.00 58.31 55.94 2wel n LYS 188 Cb 0.28 -4.90 0.00 0.00 -1.84 0.00 0.00 35.03 28.57 2wel n LYS 188 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wel s ASP 189 N -2.80 6.09 0.56 4.39 1.01 0.38 -5.01 116.67 121.28 2wel s ASP 189 Ca 0.21 0.57 -0.21 0.00 0.71 0.00 0.00 52.55 53.83 2wel s ASP 189 Cb -0.09 -1.92 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 2wel s ASP 189 CO 0.26 -0.57 1.22 -2.65 0.21 0.00 0.00 175.17 173.64 2wel n PRO 190 N -2.09 1.40 -4.01 8.23 -0.02 -1.26 -4.56 135.00 132.69 2wel n PRO 190 Ca -0.01 0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2wel n PRO 190 Cb 0.56 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2wel n PRO 190 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2wel s TYR 191 N -1.35 0.73 0.00 6.00 1.13 -0.16 -4.81 117.35 118.88 2wel s TYR 191 Ca 0.73 -1.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 2wel s TYR 191 Cb -0.43 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 2wel s TYR 191 CO 0.49 -1.22 0.00 0.41 -2.51 0.00 0.00 175.55 172.71 2wel n GLY 192 N -0.53 2.67 0.36 5.49 0.00 -1.26 -2.71 105.19 109.21 2wel n GLY 192 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2wel n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wel h LYS 193 N 0.00 0.39 0.00 1.61 1.57 -1.94 -2.66 116.57 115.54 2wel h LYS 193 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wel h LYS 193 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2wel h LYS 193 CO 0.00 0.26 0.00 -1.35 -0.57 0.00 0.00 179.45 177.79 2wel h PRO 194 N 0.41 0.00 -0.40 3.15 0.11 -1.96 -2.24 132.00 131.07 2wel h PRO 194 Ca 0.28 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.42 2wel h PRO 194 Cb 0.57 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 2wel h PRO 194 CO -0.08 0.00 0.27 -0.39 -0.21 0.00 0.00 178.00 177.59 2wel h VAL 195 N 0.00 1.04 0.00 3.15 -1.51 -1.88 -1.51 116.25 115.53 2wel h VAL 195 Ca 0.00 -0.15 -0.09 0.00 -1.23 0.00 0.00 66.70 65.23 2wel h VAL 195 Cb 0.09 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 2wel h VAL 195 CO 0.00 0.08 -0.44 0.44 -1.23 0.00 0.00 177.57 176.42 2wel h ASP 196 N 0.44 0.00 0.42 4.19 3.32 -1.63 -2.68 116.42 120.48 2wel h ASP 196 Ca 0.16 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.95 2wel h ASP 196 Cb 0.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2wel h ASP 196 CO -0.04 0.44 -1.15 0.24 -1.72 0.00 0.00 179.24 177.01 2wel h MET 197 N 0.00 0.40 -0.05 3.56 2.86 -1.42 -1.12 114.93 119.16 2wel h MET 197 Ca -0.00 -0.55 0.03 0.00 -2.06 0.00 0.00 59.70 57.12 2wel h MET 197 Cb 0.89 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 2wel h MET 197 CO 0.06 1.22 -0.18 2.35 1.06 0.00 0.00 176.91 181.42 2wel h TRP 198 N 0.17 -0.46 -0.93 -0.22 2.91 -1.40 -2.14 115.95 113.87 2wel h TRP 198 Ca -0.13 0.02 0.09 0.00 1.13 0.00 0.00 58.89 59.99 2wel h TRP 198 Cb 1.83 0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 30.62 2wel h TRP 198 CO 0.07 -0.25 0.57 0.00 -1.03 0.00 0.00 178.44 177.80 2wel h ALA 199 N 0.69 1.32 -0.91 2.65 0.00 -1.42 -1.48 119.26 120.12 2wel h ALA 199 Ca 0.07 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2wel h ALA 199 Cb 0.36 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2wel h ALA 199 CO -0.20 0.26 0.59 0.00 0.00 0.00 0.00 179.25 179.89 2wel h GLY 201 N 0.97 1.06 1.01 0.00 0.00 -0.62 0.08 103.07 105.57 2wel h GLY 201 Ca 0.40 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2wel h GLY 201 CO -0.16 0.69 0.10 -2.08 0.00 0.00 0.00 176.54 175.08 2wel h VAL 202 N 0.90 1.25 -0.42 4.60 2.07 -0.86 -1.95 116.25 121.84 2wel h VAL 202 Ca 0.17 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2wel h VAL 202 Cb 0.51 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2wel h VAL 202 CO 0.03 0.35 0.01 0.40 0.02 0.00 0.00 177.57 178.37 2wel h ILE 203 N 0.82 1.26 -0.66 4.57 2.04 -0.87 -1.63 117.51 123.04 2wel h ILE 203 Ca 0.17 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2wel h ILE 203 Cb 0.40 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2wel h ILE 203 CO 0.01 0.34 0.43 0.25 0.00 0.00 0.00 178.15 179.19 2wel h LEU 204 N 0.58 0.76 -0.48 1.44 5.85 -0.91 0.12 115.31 122.68 2wel h LEU 204 Ca 0.12 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2wel h LEU 204 Cb 0.47 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2wel h LEU 204 CO 0.02 0.56 0.25 0.22 -0.34 0.00 0.00 178.44 179.15 2wel h TYR 205 N 0.89 0.47 -0.77 1.25 3.20 -1.10 -1.73 116.97 119.18 2wel h TYR 205 Ca 0.24 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2wel h TYR 205 Cb -0.10 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 2wel h TYR 205 CO -0.03 0.24 0.32 0.82 -1.64 0.00 0.00 178.16 177.87 2wel h ILE 206 N 0.50 1.25 -0.66 1.81 2.04 -0.69 -2.34 117.51 119.42 2wel h ILE 206 Ca 0.20 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.31 2wel h ILE 206 Cb 0.09 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2wel h ILE 206 CO -0.13 0.32 0.44 -0.07 0.00 0.00 0.00 178.15 178.71 2wel h LEU 207 N 1.11 0.69 0.01 1.44 3.38 0.08 0.27 115.31 122.30 2wel h LEU 207 Ca 0.26 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 2wel h LEU 207 Cb 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2wel h LEU 207 CO -0.02 0.48 -1.37 -0.07 0.09 0.00 0.00 178.44 177.55 2wel h LEU 208 N 0.80 0.05 -0.15 1.67 3.38 -0.87 0.96 115.31 121.16 2wel h LEU 208 Ca 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wel h LEU 208 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wel h LEU 208 CO -0.07 1.06 0.00 1.33 0.09 0.00 0.00 178.44 180.85 2wel n VAL 209 N -3.23 0.00 -0.79 1.22 0.24 -1.03 -4.62 118.33 110.12 2wel n VAL 209 Ca -0.09 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2wel n VAL 209 Cb 1.00 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.54 2wel n VAL 209 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wel n GLY 210 N 0.31 0.59 3.16 7.63 0.00 0.93 -4.82 105.19 112.99 2wel n GLY 210 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2wel n GLY 210 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wel s TYR 211 N -2.00 0.16 0.57 1.61 -0.85 -1.26 -4.99 117.35 110.60 2wel s TYR 211 Ca 0.00 -0.49 -0.14 0.00 -0.52 0.00 0.00 57.07 55.92 2wel s TYR 211 Cb 0.00 -0.10 -0.06 0.00 0.38 0.00 0.00 41.96 42.18 2wel s TYR 211 CO 0.00 -0.43 1.01 -1.25 -1.52 0.00 0.00 175.55 173.36 2wel s PRO 212 N -3.01 3.72 0.23 -3.49 0.04 -1.26 -4.07 135.00 127.17 2wel s PRO 212 Ca -0.02 0.90 0.04 0.00 0.04 0.00 0.00 61.00 61.96 2wel s PRO 212 Cb 0.01 -2.10 0.23 0.00 0.04 0.00 0.00 34.50 32.69 2wel s PRO 212 CO -0.06 -0.47 1.55 -1.00 0.04 0.00 0.00 177.00 177.06 2wel h PRO 213 N 0.33 0.23 -4.96 0.56 0.13 -1.93 -3.41 132.00 122.95 2wel h PRO 213 Ca -0.46 -0.17 -0.65 0.00 -0.87 0.00 0.00 66.00 63.86 2wel h PRO 213 Cb 1.19 0.03 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 2wel h PRO 213 CO 0.61 0.78 -0.85 -0.06 -0.23 0.00 0.00 178.00 178.25 2wel s PHE 214 N -3.72 2.51 -0.21 1.56 0.08 -1.26 -4.65 117.98 112.29 2wel s PHE 214 Ca -0.04 -1.39 -0.16 0.00 0.12 0.00 0.00 56.93 55.45 2wel s PHE 214 Cb 0.12 -1.76 0.06 0.00 -0.57 0.00 0.00 43.02 40.87 2wel s PHE 214 CO 0.80 -0.69 0.55 -0.46 -0.10 0.00 0.00 175.22 175.31 2wel s TRP 215 N 1.20 -0.69 -0.15 0.36 -0.11 -1.26 -4.88 118.94 113.40 2wel s TRP 215 Ca 0.01 1.56 -0.24 0.00 1.22 0.00 0.00 56.10 58.65 2wel s TRP 215 Cb -0.14 0.30 0.06 0.00 -1.50 0.00 0.00 33.47 32.19 2wel s TRP 215 CO -0.09 -0.35 0.61 0.34 -4.62 0.00 0.00 176.95 172.85 2wel s ASP 216 N 0.78 -0.61 0.23 5.86 2.15 -1.26 -4.92 116.67 118.91 2wel s ASP 216 Ca -0.04 0.96 -0.04 0.00 0.43 0.00 0.00 52.55 53.86 2wel s ASP 216 Cb -0.05 0.94 0.23 0.00 -0.30 0.00 0.00 42.92 43.74 2wel s ASP 216 CO -0.06 -0.37 1.68 -0.33 -0.17 0.00 0.00 175.17 175.92 2wel h GLU 217 N 4.32 0.81 -6.59 4.34 4.39 -2.01 -3.38 114.58 116.46 2wel h GLU 217 Ca -0.28 -0.27 -0.56 0.00 0.34 0.00 0.00 59.36 58.59 2wel h GLU 217 Cb 1.16 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 2wel h GLU 217 CO 0.23 0.89 1.01 0.34 -1.16 0.00 0.00 179.01 180.32 2wel s ASP 218 N -6.69 6.43 0.40 1.42 2.15 -1.26 -4.91 116.67 114.21 2wel s ASP 218 Ca -0.10 0.51 0.07 0.00 0.43 0.00 0.00 52.55 53.47 2wel s ASP 218 Cb 0.14 -2.55 0.83 0.00 -0.30 0.00 0.00 42.92 41.04 2wel s ASP 218 CO 0.83 -1.41 2.02 -0.61 -0.17 0.00 0.00 175.17 175.83 2wel h GLN 219 N 10.04 0.49 -0.63 4.34 4.15 -2.00 -1.55 115.11 129.95 2wel h GLN 219 Ca -0.25 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.14 2wel h GLN 219 Cb 1.08 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.63 2wel h GLN 219 CO 1.13 0.37 0.40 1.25 -1.93 0.00 0.00 178.83 180.05 2wel h HIS 220 N 0.50 0.74 -0.57 3.99 2.76 -1.93 0.49 115.15 121.13 2wel h HIS 220 Ca 0.13 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 2wel h HIS 220 Cb 0.03 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2wel h HIS 220 CO 0.00 0.44 0.07 0.00 -1.30 0.00 0.00 177.93 177.14 2wel h ARG 221 N 0.79 0.95 -0.21 5.26 3.08 -1.73 -1.23 114.38 121.29 2wel h ARG 221 Ca 0.25 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 60.08 2wel h ARG 221 Cb -0.02 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 2wel h ARG 221 CO -0.09 0.92 -0.13 1.25 -1.07 0.00 0.00 179.97 180.86 2wel h LEU 222 N 0.84 -0.41 -1.14 3.04 5.85 -0.79 -0.92 115.31 121.77 2wel h LEU 222 Ca 0.17 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2wel h LEU 222 Cb 0.45 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2wel h LEU 222 CO 0.02 -0.16 0.28 1.88 -0.34 0.00 0.00 178.44 180.11 2wel h TYR 223 N -0.12 0.87 -0.29 1.25 0.05 -0.78 -1.14 116.97 116.82 2wel h TYR 223 Ca 0.12 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 2wel h TYR 223 Cb 0.29 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2wel h TYR 223 CO -0.28 0.65 0.16 1.96 -1.05 0.00 0.00 178.16 179.59 2wel h GLN 224 N 0.87 0.41 -0.68 4.88 4.20 -0.86 -1.43 115.11 122.51 2wel h GLN 224 Ca 0.21 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.89 2wel h GLN 224 Cb 0.12 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2wel h GLN 224 CO -0.02 0.37 0.44 1.96 -0.67 0.00 0.00 178.83 180.90 2wel h GLN 225 N 0.35 0.85 0.44 1.46 4.20 -0.71 -1.01 115.11 120.69 2wel h GLN 225 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2wel h GLN 225 Cb 0.08 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2wel h GLN 225 CO -0.02 0.56 -0.21 0.82 -0.67 0.00 0.00 178.83 179.31 2wel h ILE 226 N 0.87 0.56 -0.73 2.54 2.04 -1.03 0.13 117.51 121.89 2wel h ILE 226 Ca 0.26 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2wel h ILE 226 Cb -0.05 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2wel h ILE 226 CO -0.08 0.03 0.49 0.11 0.00 0.00 0.00 178.15 178.70 2wel h LYS 227 N -0.69 0.44 0.00 2.37 1.57 -1.16 0.16 116.57 119.25 2wel h LYS 227 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2wel h LYS 227 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wel h LYS 227 CO 0.10 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 2wel n ALA 228 N -2.51 2.29 -3.54 3.86 0.00 -0.39 -4.93 120.51 115.28 2wel n ALA 228 Ca 0.14 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 2wel n ALA 228 Cb 0.48 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.54 2wel n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wel n GLY 229 N 1.35 -0.48 3.33 0.00 0.00 0.04 -4.91 105.19 104.52 2wel n GLY 229 Ca 0.06 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2wel n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wel n ALA 230 N -4.83 4.18 -2.30 4.61 0.00 0.30 -4.91 120.51 117.56 2wel n ALA 230 Ca -0.02 -4.10 -0.13 0.00 0.00 0.00 0.00 53.44 49.18 2wel n ALA 230 Cb 0.57 -3.26 -0.10 0.00 0.00 0.00 0.00 19.45 16.66 2wel n ALA 230 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2wel s TYR 231 N 2.36 1.13 0.17 0.00 1.13 -1.26 -4.83 117.35 116.05 2wel s TYR 231 Ca 0.46 -0.76 -0.01 0.00 -1.41 0.00 0.00 57.07 55.35 2wel s TYR 231 Cb 0.03 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 2wel s TYR 231 CO 0.02 0.01 0.24 -0.40 -2.51 0.00 0.00 175.55 172.90 2wel n ASP 232 N 0.05 -0.66 -3.84 -0.18 5.75 -1.26 -5.11 116.55 111.31 2wel n ASP 232 Ca -0.12 -1.90 -0.29 0.00 -0.01 0.00 0.00 54.79 52.47 2wel n ASP 232 Cb 0.60 1.22 -0.11 0.00 -1.03 0.00 0.00 41.12 41.80 2wel n ASP 232 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2wel n PHE 233 N -0.27 3.41 -1.89 2.11 3.72 -1.26 -5.03 117.46 118.25 2wel n PHE 233 Ca 0.00 -4.27 -0.32 0.00 -0.05 0.00 0.00 57.45 52.82 2wel n PHE 233 Cb 0.28 -0.66 0.02 0.00 -0.94 0.00 0.00 39.48 38.17 2wel n PHE 233 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wel s PRO 234 N -1.65 3.34 0.44 -1.08 0.04 -1.26 -4.70 135.00 130.13 2wel s PRO 234 Ca 0.28 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 2wel s PRO 234 Cb -0.01 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2wel s PRO 234 CO -0.14 -0.78 0.82 -1.12 0.04 0.00 0.00 177.00 175.83 2wel s SER 235 N -3.51 6.50 0.15 6.66 0.01 -1.26 -2.06 113.70 120.18 2wel s SER 235 Ca 0.59 1.21 0.24 0.00 1.31 0.00 0.00 55.95 59.30 2wel s SER 235 Cb -0.13 -2.36 0.38 0.00 0.21 0.00 0.00 66.02 64.12 2wel s SER 235 CO 0.46 -0.47 1.37 1.55 0.41 0.00 0.00 173.24 176.56 2wel h PRO 236 N 1.02 0.00 -0.67 12.44 0.13 -2.03 -3.46 132.00 139.42 2wel h PRO 236 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2wel h PRO 236 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2wel h PRO 236 CO 0.63 0.00 0.44 1.05 -0.23 0.00 0.00 178.00 179.90 2wel h GLU 237 N 0.00 0.77 -0.00 0.86 9.09 -1.96 -1.20 114.58 122.14 2wel h GLU 237 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.36 2wel h GLU 237 Cb 0.78 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 2wel h GLU 237 CO 0.00 0.51 -0.13 0.91 0.05 0.00 0.00 179.01 180.35 2wel n TRP 238 N -4.46 0.00 0.00 2.06 7.02 -0.88 -4.17 117.44 117.02 2wel n TRP 238 Ca 0.08 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.59 2wel n TRP 238 Cb 0.14 -0.33 0.36 0.00 -2.42 0.00 0.00 31.31 29.07 2wel n TRP 238 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2wel h ASP 239 N 0.17 0.47 0.17 -0.99 3.32 -1.45 -2.33 116.42 115.78 2wel h ASP 239 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2wel h ASP 239 Cb 0.43 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2wel h ASP 239 CO 0.00 0.44 -0.57 0.35 -1.72 0.00 0.00 179.24 177.74 2wel n THR 240 N -4.38 0.00 -2.41 0.35 -2.24 -1.26 -4.87 114.28 99.47 2wel n THR 240 Ca 0.02 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 2wel n THR 240 Cb 0.15 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2wel n THR 240 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wel s VAL 241 N -2.75 3.90 0.60 2.28 1.01 -0.88 -5.00 120.40 119.56 2wel s VAL 241 Ca 0.15 1.43 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 2wel s VAL 241 Cb 0.18 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2wel s VAL 241 CO 0.67 0.15 1.23 0.42 0.00 0.00 0.00 175.10 177.57 2wel s THR 242 N 0.72 2.49 0.38 3.92 -4.23 -1.26 -4.92 115.64 112.74 2wel s THR 242 Ca 0.57 0.31 0.28 0.00 -1.18 0.00 0.00 61.69 61.67 2wel s THR 242 Cb -0.30 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.71 2wel s THR 242 CO 0.31 -0.06 2.05 1.55 -0.54 0.00 0.00 174.62 177.94 2wel h PRO 243 N 0.88 0.00 -0.73 3.99 0.13 -1.96 -2.84 132.00 131.47 2wel h PRO 243 Ca -0.51 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 2wel h PRO 243 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2wel h PRO 243 CO 0.55 0.12 0.22 0.93 -0.23 0.00 0.00 178.00 179.59 2wel h GLU 244 N 0.00 1.14 -0.09 0.86 3.07 -1.99 0.11 114.58 117.67 2wel h GLU 244 Ca -0.00 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2wel h GLU 244 Cb 0.37 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2wel h GLU 244 CO 0.02 0.98 0.05 0.00 -1.40 0.00 0.00 179.01 178.65 2wel h ALA 245 N 1.11 0.12 -0.68 3.43 0.00 -1.88 -2.14 119.26 119.21 2wel h ALA 245 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wel h ALA 245 Cb 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2wel h ALA 245 CO -0.01 -0.34 0.43 0.87 0.00 0.00 0.00 179.25 180.20 2wel h LYS 246 N 0.05 0.91 -0.42 0.00 1.57 -1.39 -1.78 116.57 115.51 2wel h LYS 246 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2wel h LYS 246 Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2wel h LYS 246 CO -0.01 0.62 0.16 0.22 -0.57 0.00 0.00 179.45 179.88 2wel h ASP 247 N 0.93 0.57 -0.53 0.86 3.58 -0.62 0.70 116.42 121.92 2wel h ASP 247 Ca 0.25 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2wel h ASP 247 Cb -0.08 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2wel h ASP 247 CO -0.05 0.59 0.18 0.25 -2.88 0.00 0.00 179.24 177.32 2wel h LEU 248 N 0.53 0.76 -0.54 2.28 5.85 -1.12 -1.21 115.31 121.86 2wel h LEU 248 Ca 0.14 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2wel h LEU 248 Cb 0.19 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2wel h LEU 248 CO -0.01 0.76 0.31 0.40 -0.34 0.00 0.00 178.44 179.56 2wel h ILE 249 N 0.73 1.04 -0.61 4.05 2.04 -1.07 -1.85 117.51 121.83 2wel h ILE 249 Ca 0.17 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2wel h ILE 249 Cb 0.26 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 2wel h ILE 249 CO -0.01 0.11 0.20 0.78 0.00 0.00 0.00 178.15 179.23 2wel h ASN 250 N 0.62 0.15 0.73 1.72 2.35 -0.47 0.16 115.58 120.83 2wel h ASN 250 Ca 0.22 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 2wel h ASN 250 Cb 0.05 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2wel h ASN 250 CO -0.11 0.09 -0.32 0.11 -1.65 0.00 0.00 177.43 175.55 2wel h LYS 251 N 0.35 0.00 0.25 0.81 1.57 -0.53 -2.72 116.57 116.30 2wel h LYS 251 Ca 0.32 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.76 2wel h LYS 251 Cb 0.43 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.78 2wel h LYS 251 CO -0.35 0.32 -1.51 0.52 -0.57 0.00 0.00 179.45 177.85 2wel h MET 252 N 0.00 0.54 -1.89 3.15 2.86 -0.60 -1.83 114.93 117.16 2wel h MET 252 Ca -0.00 -0.91 -0.54 0.00 -2.06 0.00 0.00 59.70 56.19 2wel h MET 252 Cb 0.76 0.34 -0.19 0.00 0.06 0.00 0.00 31.60 32.57 2wel h MET 252 CO 0.04 1.44 0.54 1.28 1.06 0.00 0.00 176.91 181.27 2wel n LEU 253 N -3.71 6.73 -4.67 1.22 4.77 0.48 -4.02 117.00 117.80 2wel n LEU 253 Ca -0.18 -4.12 -0.37 0.00 -0.03 0.00 0.00 56.01 51.31 2wel n LEU 253 Cb 1.11 -1.17 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2wel n LEU 253 CO 0.60 1.66 -0.01 -0.89 -1.33 0.00 0.00 177.39 177.42 2wel s THR 254 N -2.90 5.26 0.19 -5.08 2.01 -1.16 -4.90 115.64 109.07 2wel s THR 254 Ca 0.55 0.50 -0.09 0.00 0.31 0.00 0.00 61.69 62.95 2wel s THR 254 Cb 0.38 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 69.35 2wel s THR 254 CO -0.22 0.29 1.69 0.40 -0.69 0.00 0.00 174.62 176.09 2wel h ILE 255 N 5.02 1.26 -3.36 1.82 2.04 -1.92 -3.40 117.51 118.97 2wel h ILE 255 Ca -0.37 -1.02 -0.57 0.00 1.00 0.00 0.00 64.86 63.90 2wel h ILE 255 Cb 1.16 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2wel h ILE 255 CO 0.69 0.38 0.96 0.21 0.00 0.00 0.00 178.15 180.40 2wel s ASN 256 N -6.46 6.63 0.56 1.72 3.84 -1.26 -4.75 114.94 115.22 2wel s ASN 256 Ca -0.12 0.90 0.34 0.00 0.21 0.00 0.00 52.86 54.19 2wel s ASN 256 Cb 0.14 -2.54 1.57 0.00 -0.55 0.00 0.00 41.25 39.87 2wel s ASN 256 CO 0.85 -1.17 2.07 1.55 -2.79 0.00 0.00 177.10 177.61 2wel h PRO 257 N 9.37 0.00 0.00 0.43 0.13 -1.96 -1.48 132.00 138.48 2wel h PRO 257 Ca -0.25 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2wel h PRO 257 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2wel h PRO 257 CO 1.07 0.04 -0.50 0.00 -0.23 0.00 0.00 178.00 178.38 2wel h ALA 258 N 1.96 0.93 -0.00 -0.56 0.00 -1.95 -3.17 119.26 116.47 2wel h ALA 258 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wel h ALA 258 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wel h ALA 258 CO 0.01 0.63 -0.66 1.63 0.00 0.00 0.00 179.25 180.86 2wel n LYS 259 N -3.60 0.25 -2.30 0.00 5.02 -0.61 -4.95 118.16 111.98 2wel n LYS 259 Ca -0.00 -0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 55.72 2wel n LYS 259 Cb 0.59 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 2wel n LYS 259 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wel s ARG 260 N -2.87 4.08 0.38 1.97 3.52 -0.89 -4.96 118.95 120.17 2wel s ARG 260 Ca 0.12 1.83 -0.28 0.00 -0.13 0.00 0.00 55.73 57.28 2wel s ARG 260 Cb 0.17 -2.69 -0.10 0.00 -1.56 0.00 0.00 34.95 30.77 2wel s ARG 260 CO 0.73 -0.30 1.43 -1.50 -0.81 0.00 0.00 175.30 174.85 2wel s ILE 261 N -1.41 2.22 0.62 4.11 2.07 -0.69 -5.02 121.20 123.10 2wel s ILE 261 Ca 0.57 0.22 -0.05 0.00 -1.41 0.00 0.00 60.65 59.97 2wel s ILE 261 Cb -0.31 -3.14 0.03 0.00 0.13 0.00 0.00 42.46 39.18 2wel s ILE 261 CO 0.39 0.05 0.92 0.42 -1.91 0.00 0.00 174.94 174.80 2wel s THR 262 N -1.14 2.98 0.20 4.00 -4.23 -1.26 -4.88 115.64 111.31 2wel s THR 262 Ca 0.53 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 2wel s THR 262 Cb -0.44 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.31 2wel s THR 262 CO 0.60 -0.20 1.81 0.00 -0.54 0.00 0.00 174.62 176.28 2wel h ALA 263 N -0.28 0.90 -0.44 3.99 0.00 -1.95 0.12 119.26 121.60 2wel h ALA 263 Ca -0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2wel h ALA 263 Cb 1.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2wel h ALA 263 CO 0.59 0.41 0.10 1.03 0.00 0.00 0.00 179.25 181.38 2wel h SER 264 N 0.96 0.67 -0.43 0.00 0.87 -1.94 -0.74 113.55 112.94 2wel h SER 264 Ca 0.25 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2wel h SER 264 Cb 0.04 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2wel h SER 264 CO -0.04 0.74 0.13 -0.33 -0.53 0.00 0.00 176.83 176.80 2wel h GLU 265 N 0.57 0.67 -0.52 2.24 5.08 -1.88 -2.89 114.58 117.85 2wel h GLU 265 Ca 0.14 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2wel h GLU 265 Cb 0.33 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2wel h GLU 265 CO 0.00 0.65 0.34 0.00 -1.00 0.00 0.00 179.01 179.01 2wel h ALA 266 N 0.98 1.71 0.00 3.43 0.00 -0.48 -1.35 119.26 123.56 2wel h ALA 266 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wel h ALA 266 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wel h ALA 266 CO -0.00 0.24 0.00 -0.07 0.00 0.00 0.00 179.25 179.41 2wel h LEU 267 N 0.62 0.00 -1.97 0.00 3.38 -0.92 -2.04 115.31 114.38 2wel h LEU 267 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wel h LEU 267 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wel h LEU 267 CO -0.05 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.77 2wel n LYS 268 N -2.44 2.34 -2.09 1.13 5.02 -0.52 -4.50 118.16 117.10 2wel n LYS 268 Ca 0.00 -1.96 -0.40 0.00 -2.02 0.00 0.00 58.31 53.93 2wel n LYS 268 Cb 0.17 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2wel n LYS 268 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2wel s HIS 269 N -1.90 2.95 0.41 2.13 2.46 -0.77 -4.79 115.29 115.77 2wel s HIS 269 Ca 0.31 1.41 0.09 0.00 0.47 0.00 0.00 55.06 57.34 2wel s HIS 269 Cb 0.21 -3.67 0.89 0.00 -0.13 0.00 0.00 32.58 29.87 2wel s HIS 269 CO 0.30 -1.95 2.01 -1.35 -2.47 0.00 0.00 174.74 171.28 2wel h PRO 270 N 3.05 0.54 0.00 2.88 0.11 -1.94 -1.19 132.00 135.45 2wel h PRO 270 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2wel h PRO 270 Cb 1.23 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wel h PRO 270 CO 0.64 0.36 -0.11 2.35 -0.21 0.00 0.00 178.00 181.03 2wel h TRP 271 N 0.56 0.00 0.04 0.65 7.01 -1.89 -1.02 115.95 121.31 2wel h TRP 271 Ca 0.23 0.00 -0.25 0.00 2.11 0.00 0.00 58.89 60.99 2wel h TRP 271 Cb 0.22 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 2wel h TRP 271 CO -0.00 0.11 -1.32 0.82 -2.79 0.00 0.00 178.44 175.26 2wel h ILE 272 N 0.00 0.96 -0.01 2.65 1.08 -1.56 -3.44 117.51 117.19 2wel h ILE 272 Ca -0.00 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.21 2wel h ILE 272 Cb 0.23 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2wel h ILE 272 CO 0.01 0.51 0.00 0.00 -0.69 0.00 0.00 178.15 177.99 2wel n GLN 274 N 0.32 2.45 0.06 0.00 6.02 -0.39 -4.84 117.38 121.00 2wel n GLN 274 Ca 0.03 -3.99 0.04 0.00 -0.01 0.00 0.00 57.00 53.07 2wel n GLN 274 Cb 0.15 -1.83 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 2wel n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wel h ARG 275 N 2.77 0.00 -6.81 -1.09 3.08 -1.82 -3.46 114.38 107.05 2wel h ARG 275 Ca 0.13 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.71 2wel h ARG 275 Cb 1.01 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.09 2wel h ARG 275 CO 0.70 0.19 -0.01 -1.12 -1.07 0.00 0.00 179.97 178.66 2wel s SER 276 N -5.65 5.92 0.00 7.04 0.01 -1.26 -5.19 113.70 114.57 2wel s SER 276 Ca -0.02 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2wel s SER 276 Cb 0.09 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2wel s SER 276 CO 0.80 -0.70 0.00 0.80 0.41 0.00 0.00 173.24 174.55 2wel n MET 281 N -2.18 0.00 -2.00 12.44 0.00 -1.26 -5.26 117.12 118.86 2wel n MET 281 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.30 2wel n MET 281 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.77 2wel n MET 281 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2wel s MET 282 N 0.00 4.26 0.10 2.12 -1.94 -1.26 -5.03 119.30 117.56 2wel s MET 282 Ca 0.00 2.32 0.07 0.00 -1.71 0.00 0.00 55.69 56.38 2wel s MET 282 Cb 0.00 -3.09 -0.03 0.00 2.01 0.00 0.00 34.83 33.72 2wel s MET 282 CO 0.00 -0.40 -0.19 -1.01 -0.01 0.00 0.00 175.02 173.41 2wel s HIS 283 N -0.28 1.62 0.58 -0.03 3.76 -1.26 -5.13 115.29 114.55 2wel s HIS 283 Ca 0.57 -0.44 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 2wel s HIS 283 Cb -0.42 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 2wel s HIS 283 CO 0.47 0.18 1.29 1.03 -0.85 0.00 0.00 174.74 176.85 2wel s ARG 284 N -2.01 3.01 -0.06 1.40 1.81 -1.26 -5.03 118.95 116.81 2wel s ARG 284 Ca 0.05 2.05 0.05 0.00 -1.72 0.00 0.00 55.73 56.16 2wel s ARG 284 Cb -0.09 -2.09 -0.02 0.00 -0.45 0.00 0.00 34.95 32.30 2wel s ARG 284 CO 0.04 -1.24 -0.20 -0.65 -0.68 0.00 0.00 175.30 172.57 2wel s GLN 285 N -3.11 2.61 0.31 3.54 -0.21 -1.26 -5.12 119.66 116.43 2wel s GLN 285 Ca 0.75 -0.81 -0.20 0.00 0.02 0.00 0.00 55.36 55.13 2wel s GLN 285 Cb -0.36 -2.29 -0.09 0.00 1.00 0.00 0.00 33.01 31.27 2wel s GLN 285 CO 0.41 0.45 0.81 -1.21 -2.12 0.00 0.00 175.29 173.63 2wel s GLU 286 N -0.32 4.23 0.33 2.91 0.41 -1.26 -5.03 118.70 119.97 2wel s GLU 286 Ca 0.02 0.94 -0.28 0.00 -0.41 0.00 0.00 54.97 55.23 2wel s GLU 286 Cb -0.13 -2.59 -0.10 0.00 -1.78 0.00 0.00 34.13 29.53 2wel s GLU 286 CO 0.02 0.22 1.26 0.99 -0.49 0.00 0.00 175.26 177.26 2wel s THR 287 N -1.81 2.87 -0.34 3.63 2.01 -1.26 -5.02 115.64 115.73 2wel s THR 287 Ca 0.51 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 63.26 2wel s THR 287 Cb -0.14 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 2wel s THR 287 CO 0.19 0.19 0.19 -0.69 -0.69 0.00 0.00 174.62 173.81 2wel s VAL 288 N -1.17 4.76 -0.02 3.82 1.01 -1.26 -4.96 120.40 122.57 2wel s VAL 288 Ca 0.49 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 62.10 2wel s VAL 288 Cb -0.38 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2wel s VAL 288 CO 0.50 -0.03 1.27 0.44 0.00 0.00 0.00 175.10 177.28 2wel h ASP 289 N 8.41 0.00 -5.87 3.32 3.32 -2.07 -3.48 116.42 120.05 2wel h ASP 289 Ca -0.30 0.00 0.36 0.00 0.02 0.00 0.00 57.03 57.11 2wel h ASP 289 Cb 1.14 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.59 2wel h ASP 289 CO 0.64 0.77 0.92 0.00 -1.72 0.00 0.00 179.24 179.84 2wel s LEU 291 N -3.50 4.04 0.11 0.00 1.43 -1.26 -5.07 118.68 114.44 2wel s LEU 291 Ca 0.24 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 2wel s LEU 291 Cb 0.02 -3.26 -0.07 0.00 0.03 0.00 0.00 46.19 42.92 2wel s LEU 291 CO -0.03 -0.27 1.25 -1.59 0.23 0.00 0.00 176.35 175.94 2wel s LYS 292 N -4.28 4.42 0.26 1.70 0.00 -1.26 -4.98 119.74 115.60 2wel s LYS 292 Ca 0.39 1.88 -0.30 0.00 0.00 0.00 0.00 55.97 57.94 2wel s LYS 292 Cb -0.10 -3.29 -0.11 0.00 0.00 0.00 0.00 37.83 34.34 2wel s LYS 292 CO 0.35 -0.26 1.57 0.21 0.00 0.00 0.00 175.35 177.22 2wel s LYS 293 N 0.71 4.17 0.20 1.78 2.20 -1.26 -4.96 119.74 122.58 2wel s LYS 293 Ca 0.59 2.49 -0.31 0.00 -0.36 0.00 0.00 55.97 58.37 2wel s LYS 293 Cb -0.32 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 32.83 2wel s LYS 293 CO 0.32 -0.59 1.51 0.12 -0.36 0.00 0.00 175.35 176.35 2wel s PHE 294 N 0.27 3.04 -0.81 4.03 5.36 -1.26 -4.95 117.98 123.65 2wel s PHE 294 Ca 0.64 0.80 -0.16 0.00 -0.96 0.00 0.00 56.93 57.25 2wel s PHE 294 Cb -0.46 -3.88 0.17 0.00 -0.34 0.00 0.00 43.02 38.51 2wel s PHE 294 CO 0.43 -3.10 0.86 1.21 -1.46 0.00 0.00 175.22 173.15 2wel s ASN 295 N 0.81 6.62 0.18 6.13 3.84 -1.26 -4.89 114.94 126.36 2wel s ASN 295 Ca 0.65 -2.29 -0.11 0.00 0.21 0.00 0.00 52.86 51.32 2wel s ASN 295 Cb -0.43 -2.28 0.09 0.00 -0.55 0.00 0.00 41.25 38.08 2wel s ASN 295 CO 0.37 -0.81 1.73 0.00 -2.79 0.00 0.00 177.10 175.60 2wel h ALA 296 N 8.33 0.81 -0.32 1.71 0.00 -1.99 -1.08 119.26 126.72 2wel h ALA 296 Ca 0.05 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2wel h ALA 296 Cb 1.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wel h ALA 296 CO 0.92 0.44 -0.48 -0.09 0.00 0.00 0.00 179.25 180.04 2wel h ARG 297 N 0.88 0.89 -0.40 0.00 2.43 -1.99 -0.30 114.38 115.89 2wel h ARG 297 Ca 0.21 -0.52 -0.14 0.00 -0.81 0.00 0.00 59.98 58.72 2wel h ARG 297 Cb 0.23 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2wel h ARG 297 CO -0.01 1.17 -0.29 -0.09 -1.51 0.00 0.00 179.97 179.23 2wel h ARG 298 N 0.70 0.86 -0.28 0.20 2.43 -1.96 -0.43 114.38 115.91 2wel h ARG 298 Ca 0.03 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2wel h ARG 298 Cb 1.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2wel h ARG 298 CO 0.11 1.04 0.18 -0.22 -1.51 0.00 0.00 179.97 179.57 2wel h LYS 299 N 0.73 0.37 -0.32 0.20 1.63 -0.95 -1.06 116.57 117.17 2wel h LYS 299 Ca 0.08 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.79 2wel h LYS 299 Cb 0.84 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2wel h LYS 299 CO 0.07 0.26 -0.05 1.25 -3.45 0.00 0.00 179.45 177.53 2wel h LEU 300 N 0.37 0.60 -0.96 5.20 5.85 -0.92 -2.55 115.31 122.90 2wel h LEU 300 Ca 0.10 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 2wel h LEU 300 Cb -0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2wel h LEU 300 CO -0.02 0.80 0.04 0.11 -0.34 0.00 0.00 178.44 179.03 2wel h LYS 301 N 0.38 0.80 -0.61 1.25 1.57 -1.02 -0.47 116.57 118.48 2wel h LYS 301 Ca 0.09 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2wel h LYS 301 Cb 0.52 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2wel h LYS 301 CO 0.03 0.77 0.38 0.78 -0.57 0.00 0.00 179.45 180.84 2wel h GLY 302 N 0.97 0.88 1.03 3.86 0.00 -1.12 0.16 103.07 108.84 2wel h GLY 302 Ca 0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 2wel h GLY 302 CO 0.01 0.34 0.04 0.00 0.00 0.00 0.00 176.54 176.93 2wel h ALA 303 N 1.20 0.73 -0.10 3.60 0.00 -1.02 -0.98 119.26 122.70 2wel h ALA 303 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wel h ALA 303 Cb -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2wel h ALA 303 CO -0.04 0.52 -0.02 0.82 0.00 0.00 0.00 179.25 180.53 2wel h ILE 304 N 0.82 1.29 -0.73 0.00 2.04 -0.73 -1.82 117.51 118.38 2wel h ILE 304 Ca 0.16 -0.92 0.10 0.00 1.00 0.00 0.00 64.86 65.19 2wel h ILE 304 Cb 0.48 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 2wel h ILE 304 CO 0.02 0.26 0.36 -0.07 0.00 0.00 0.00 178.15 178.72 2wel h LEU 305 N -0.14 0.47 -0.46 1.44 3.38 -0.65 0.14 115.31 119.49 2wel h LEU 305 Ca 0.02 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2wel h LEU 305 Cb 0.42 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2wel h LEU 305 CO 0.01 0.26 0.17 0.74 0.09 0.00 0.00 178.44 179.71 2wel h THR 306 N 0.61 0.86 -0.61 0.22 2.02 -1.00 -1.32 112.91 113.69 2wel h THR 306 Ca 0.36 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.33 2wel h THR 306 Cb 0.40 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2wel h THR 306 CO -0.28 0.06 -0.00 0.74 0.37 0.00 0.00 175.52 176.41 2wel h THR 307 N 0.35 1.27 -0.39 3.16 2.02 -0.49 -0.39 112.91 118.43 2wel h THR 307 Ca 0.22 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.27 2wel h THR 307 Cb 0.21 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2wel h THR 307 CO -0.21 0.42 0.19 0.24 0.37 0.00 0.00 175.52 176.52 2wel h MET 308 N 0.97 0.37 -0.41 6.66 2.07 -0.55 -0.86 114.93 123.18 2wel h MET 308 Ca 0.17 -0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.78 2wel h MET 308 Cb 0.56 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.19 2wel h MET 308 CO 0.03 0.25 0.24 1.25 1.07 0.00 0.00 176.91 179.75 2wel h LEU 309 N 0.38 0.50 -1.84 1.22 5.85 -0.96 -2.88 115.31 117.58 2wel h LEU 309 Ca 0.17 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2wel h LEU 309 Cb 0.09 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2wel h LEU 309 CO -0.13 0.41 0.12 0.00 -0.34 0.00 0.00 178.44 178.51 2wel h ALA 310 N 1.11 1.91 -0.00 1.25 0.00 -0.58 -2.34 119.26 120.60 2wel h ALA 310 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wel h ALA 310 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wel h ALA 310 CO -0.03 0.08 -0.09 0.25 0.00 0.00 0.00 179.25 179.46 2wel n THR 311 N -4.51 0.00 -0.31 0.00 -2.24 -0.37 -4.06 114.28 102.78 2wel n THR 311 Ca 0.00 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 2wel n THR 311 Cb 0.10 -0.34 0.10 0.00 -2.10 0.00 0.00 70.33 68.09 2wel n THR 311 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wel h ARG 312 N 0.06 1.07 -0.68 -0.78 3.08 -1.40 -2.17 114.38 113.56 2wel h ARG 312 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2wel h ARG 312 Cb 0.45 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2wel h ARG 312 CO 0.00 0.71 0.22 -0.97 -1.07 0.00 0.00 179.97 178.86 2wel h ASN 313 N 1.10 0.99 -0.71 7.04 -1.24 -1.78 0.57 115.58 121.54 2wel h ASN 313 Ca 0.33 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 2wel h ASN 313 Cb -0.05 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.71 2wel h ASN 313 CO -0.10 0.93 0.18 -0.26 -1.29 0.00 0.00 177.43 176.89 2wel h PHE 314 N 0.99 1.19 -0.04 0.67 -1.00 -1.76 -3.12 116.94 113.87 2wel h PHE 314 Ca 0.22 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 2wel h PHE 314 Cb 0.29 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.52 2wel h PHE 314 CO 0.02 0.96 -0.15 0.77 -1.61 0.00 0.00 178.31 178.30 2wel h SER 315 N 1.08 0.21 -0.03 2.17 0.02 -1.20 -3.53 113.55 112.27 2wel h SER 315 Ca 0.23 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2wel h SER 315 Cb 0.36 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2wel h SER 315 CO 0.00 0.80 0.00 0.00 -1.14 0.00 0.00 176.83 176.49