#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xml n PRO 39 N 0.00 2.94 -0.87 0.00 -0.04 -1.26 -4.97 135.00 130.80 1xml n PRO 39 Ca 0.00 -2.77 -0.32 0.00 -0.04 0.00 0.00 63.50 60.37 1xml n PRO 39 Cb 0.00 -3.34 0.15 0.00 -0.04 0.00 0.00 33.50 30.27 1xml n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xml s VAL 40 N 3.41 2.12 0.36 0.52 1.01 -1.26 -5.05 120.40 121.51 1xml s VAL 40 Ca 0.49 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1xml s VAL 40 Cb 0.12 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1xml s VAL 40 CO -0.05 -0.05 0.13 -0.13 0.00 0.00 0.00 175.10 175.01 1xml s ARG 41 N -4.48 2.28 0.60 2.72 1.81 -1.26 -5.12 118.95 115.50 1xml s ARG 41 Ca 0.69 -1.66 -0.19 0.00 -1.72 0.00 0.00 55.73 52.85 1xml s ARG 41 Cb -0.24 -2.09 -0.03 0.00 -0.45 0.00 0.00 34.95 32.13 1xml s ARG 41 CO 0.55 0.05 1.22 -0.51 -0.68 0.00 0.00 175.30 175.93 1xml s LEU 42 N -3.84 3.66 0.00 2.53 1.43 -1.26 -4.91 118.68 116.29 1xml s LEU 42 Ca 0.38 2.42 0.20 0.00 -1.03 0.00 0.00 54.13 56.10 1xml s LEU 42 Cb -0.01 -4.60 1.11 0.00 0.03 0.00 0.00 46.19 42.73 1xml s LEU 42 CO 0.22 -1.64 1.60 -0.81 0.23 0.00 0.00 176.35 175.95 1xml n PRO 43 N -1.61 0.48 -4.45 1.29 -0.04 -1.26 -4.76 135.00 124.66 1xml n PRO 43 Ca 0.14 0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1xml n PRO 43 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1xml n PRO 43 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xml s PHE 44 N -2.24 1.83 -0.02 0.54 -0.12 -1.26 -5.11 117.98 111.59 1xml s PHE 44 Ca 0.25 -1.11 0.06 0.00 -0.05 0.00 0.00 56.93 56.08 1xml s PHE 44 Cb 0.14 -1.17 -0.01 0.00 -0.63 0.00 0.00 43.02 41.34 1xml s PHE 44 CO 0.26 -0.16 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.54 1xml s SER 45 N -3.49 2.24 0.09 1.98 1.04 -1.26 -5.00 113.70 109.29 1xml s SER 45 Ca 0.33 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1xml s SER 45 Cb 0.07 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1xml s SER 45 CO 0.15 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1xml n GLY 46 N 2.70 -4.50 2.95 7.32 0.00 -1.26 -2.52 105.19 109.87 1xml n GLY 46 Ca -0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1xml n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xml s PHE 47 N -0.26 3.24 -0.30 1.61 5.36 -1.26 -4.21 117.98 122.16 1xml s PHE 47 Ca 0.00 -2.79 -0.18 0.00 -0.96 0.00 0.00 56.93 53.01 1xml s PHE 47 Cb 0.00 -2.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.01 1xml s PHE 47 CO 0.00 -0.90 0.50 0.50 -1.46 0.00 0.00 175.22 173.86 1xml s ARG 48 N 0.82 3.87 0.12 10.12 3.52 -1.05 -4.96 118.95 131.40 1xml s ARG 48 Ca 0.12 0.08 -0.31 0.00 -0.13 0.00 0.00 55.73 55.49 1xml s ARG 48 Cb -0.20 -3.72 -0.09 0.00 -1.56 0.00 0.00 34.95 29.38 1xml s ARG 48 CO -0.09 -0.47 1.53 -1.17 -0.81 0.00 0.00 175.30 174.29 1xml s LEU 49 N 2.32 4.37 -0.13 -0.88 2.96 -1.26 -1.43 118.68 124.62 1xml s LEU 49 Ca 0.19 2.49 0.11 0.00 -0.22 0.00 0.00 54.13 56.71 1xml s LEU 49 Cb -0.16 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.79 1xml s LEU 49 CO 0.11 -0.79 0.05 0.00 -1.32 0.00 0.00 176.35 174.40 1xml n GLN 50 N 4.39 1.88 -3.62 1.98 1.13 -0.86 -4.93 117.38 117.34 1xml n GLN 50 Ca 0.14 -0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 55.04 1xml n GLN 50 Cb 0.40 -1.33 -0.07 0.00 0.11 0.00 0.00 30.24 29.35 1xml n GLN 50 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1xml s LYS 51 N -2.32 0.83 -0.79 -1.09 2.20 -1.16 -5.07 119.74 112.35 1xml s LYS 51 Ca -0.06 0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 56.13 1xml s LYS 51 Cb 0.04 0.40 0.12 0.00 -1.51 0.00 0.00 37.83 36.88 1xml s LYS 51 CO 0.53 -0.14 0.97 0.08 -0.36 0.00 0.00 175.35 176.43 1xml s VAL 52 N 0.02 4.74 0.09 4.02 1.01 -1.26 -1.96 120.40 127.06 1xml s VAL 52 Ca -0.02 -1.28 -0.34 0.00 0.00 0.00 0.00 61.98 60.34 1xml s VAL 52 Cb -0.04 -4.67 -0.15 0.00 0.00 0.00 0.00 36.38 31.52 1xml s VAL 52 CO 0.03 -1.37 1.57 -0.07 0.00 0.00 0.00 175.10 175.26 1xml h LEU 53 N 10.27 -1.35 -7.65 3.92 3.38 -1.55 -3.45 115.31 118.88 1xml h LEU 53 Ca -0.04 0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 1xml h LEU 53 Cb 1.05 0.47 -0.25 0.00 0.09 0.00 0.00 40.66 42.02 1xml h LEU 53 CO 1.09 -0.60 -0.54 -0.60 0.09 0.00 0.00 178.44 177.88 1xml s ARG 54 N -5.88 0.27 -0.07 1.13 3.52 -1.16 -2.34 118.95 114.42 1xml s ARG 54 Ca -0.17 -0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1xml s ARG 54 Cb 0.05 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1xml s ARG 54 CO 0.61 -0.05 0.26 -2.00 -0.81 0.00 0.00 175.30 173.31 1xml s GLU 55 N -0.43 0.40 -0.12 5.12 2.12 -1.26 -0.27 118.70 124.26 1xml s GLU 55 Ca -0.05 0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 1xml s GLU 55 Cb -0.03 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.60 1xml s GLU 55 CO 0.01 -0.07 0.15 0.45 -0.54 0.00 0.00 175.26 175.25 1xml s SER 56 N -0.34 1.15 0.18 -1.70 0.15 -0.89 -5.01 113.70 107.26 1xml s SER 56 Ca -0.04 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1xml s SER 56 Cb -0.03 0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.52 1xml s SER 56 CO 0.01 -0.28 1.43 0.00 1.20 0.00 0.00 173.24 175.61 1xml h ALA 57 N 8.37 0.61 -0.42 5.45 0.00 -1.98 -1.71 119.26 129.58 1xml h ALA 57 Ca -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1xml h ALA 57 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1xml h ALA 57 CO 0.19 0.81 0.19 -0.09 0.00 0.00 0.00 179.25 180.35 1xml h ARG 58 N 0.19 0.61 -0.00 0.00 2.43 -1.96 -3.21 114.38 112.44 1xml h ARG 58 Ca -0.03 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xml h ARG 58 Cb 1.35 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1xml h ARG 58 CO 0.12 0.54 -0.65 -0.25 -1.51 0.00 0.00 179.97 178.23 1xml n ASP 59 N -4.66 0.68 -3.56 -3.80 9.92 -1.23 -4.99 116.55 108.91 1xml n ASP 59 Ca 0.00 -0.51 -0.21 0.00 -0.53 0.00 0.00 54.79 53.54 1xml n ASP 59 Cb 0.13 0.48 0.05 0.00 -0.64 0.00 0.00 41.12 41.14 1xml n ASP 59 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xml n LYS 60 N -1.47 -3.78 -4.10 -1.24 4.01 -0.66 -4.77 118.16 106.15 1xml n LYS 60 Ca 0.05 0.67 -0.13 0.00 -0.51 0.00 0.00 58.31 58.40 1xml n LYS 60 Cb 0.34 -5.20 -0.11 0.00 -0.51 0.00 0.00 35.03 29.54 1xml n LYS 60 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1xml s ILE 61 N -3.53 0.62 -0.03 -0.18 1.01 -1.09 -2.11 121.20 115.89 1xml s ILE 61 Ca 0.20 -1.31 -0.05 0.00 0.00 0.00 0.00 60.65 59.49 1xml s ILE 61 Cb -0.05 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1xml s ILE 61 CO 0.80 -0.49 0.12 -0.51 0.00 0.00 0.00 174.94 174.86 1xml s ILE 62 N -1.92 0.04 -0.19 2.92 2.07 -0.80 -2.09 121.20 121.24 1xml s ILE 62 Ca -0.04 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.88 1xml s ILE 62 Cb -0.06 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.26 1xml s ILE 62 CO -0.01 -0.18 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.31 1xml s PHE 63 N -0.57 2.81 -0.06 3.50 0.40 0.62 -2.26 117.98 122.42 1xml s PHE 63 Ca -0.07 -1.54 0.03 0.00 -0.60 0.00 0.00 56.93 54.75 1xml s PHE 63 Cb -0.04 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 1xml s PHE 63 CO 0.01 -0.77 -0.14 -0.51 0.70 0.00 0.00 175.22 174.50 1xml s LEU 64 N 1.32 2.71 -0.17 -0.37 1.43 0.24 -1.32 118.68 122.51 1xml s LEU 64 Ca 0.05 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1xml s LEU 64 Cb -0.13 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1xml s LEU 64 CO -0.12 0.33 -0.07 -2.28 0.23 0.00 0.00 176.35 174.44 1xml s HIS 65 N -0.61 2.92 0.04 0.29 5.65 -0.83 -1.49 115.29 121.26 1xml s HIS 65 Ca 0.09 -0.67 -0.02 0.00 0.25 0.00 0.00 55.06 54.72 1xml s HIS 65 Cb -0.11 -1.97 -0.03 0.00 -1.18 0.00 0.00 32.58 29.29 1xml s HIS 65 CO 0.01 -0.29 0.00 0.20 -0.65 0.00 0.00 174.74 174.01 1xml s GLY 66 N 0.78 0.31 0.03 1.59 0.00 -0.73 -2.03 107.32 107.27 1xml s GLY 66 Ca -0.03 -0.81 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 1xml s GLY 66 CO 0.02 -0.91 0.61 0.54 0.00 0.00 0.00 173.10 173.35 1xml s LYS 67 N -2.65 4.31 0.06 2.90 -0.14 -0.52 -1.89 119.74 121.81 1xml s LYS 67 Ca -0.05 0.78 0.01 0.00 -1.36 0.00 0.00 55.97 55.34 1xml s LYS 67 Cb -0.01 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 1xml s LYS 67 CO -0.05 0.45 -0.05 0.14 -0.76 0.00 0.00 175.35 175.08 1xml s VAL 68 N -0.49 0.43 -1.57 3.17 -7.23 -0.37 -2.54 120.40 111.80 1xml s VAL 68 Ca 0.31 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1xml s VAL 68 Cb -0.19 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1xml s VAL 68 CO 0.18 -0.81 0.02 0.59 -0.31 0.00 0.00 175.10 174.78 1xml n ASN 69 N 0.42 -5.33 -4.25 4.85 3.02 -1.05 -0.40 115.26 112.53 1xml n ASN 69 Ca -0.16 0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.23 1xml n ASN 69 Cb 0.59 -4.45 0.01 0.00 -0.61 0.00 0.00 39.78 35.32 1xml n ASN 69 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xml n GLU 70 N -2.98 0.83 -1.23 3.52 0.28 -1.26 -5.09 120.64 114.70 1xml n GLU 70 Ca -0.21 -2.68 0.14 0.00 -0.16 0.00 0.00 57.16 54.24 1xml n GLU 70 Cb 0.66 0.23 -0.08 0.00 1.43 0.00 0.00 31.44 33.69 1xml n GLU 70 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1xml n GLU 78 N -1.58 -2.89 -2.97 3.44 1.02 0.46 -5.18 120.64 112.94 1xml n GLU 78 Ca 0.00 2.36 -0.31 0.00 -0.02 0.00 0.00 57.16 59.19 1xml n GLU 78 Cb 0.49 -3.32 -0.04 0.00 -0.02 0.00 0.00 31.44 28.55 1xml n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xml s ASP 79 N -6.62 6.57 -0.15 1.62 1.01 -1.26 -1.24 116.67 116.60 1xml s ASP 79 Ca 0.00 1.12 -0.16 0.00 0.71 0.00 0.00 52.55 54.23 1xml s ASP 79 Cb 0.00 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.66 1xml s ASP 79 CO 0.00 -0.33 0.43 0.00 0.21 0.00 0.00 175.17 175.48 1xml s ALA 80 N -2.24 -1.08 -0.19 5.23 0.00 -0.79 -2.06 121.76 120.63 1xml s ALA 80 Ca 0.51 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 1xml s ALA 80 Cb -0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1xml s ALA 80 CO 0.28 -0.22 -0.05 0.08 0.00 0.00 0.00 175.76 175.86 1xml s VAL 81 N 0.07 3.54 -0.11 0.00 1.01 -0.85 -1.77 120.40 122.29 1xml s VAL 81 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1xml s VAL 81 Cb -0.03 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1xml s VAL 81 CO 0.01 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 1xml s VAL 82 N 0.99 2.77 -0.18 2.92 1.01 -0.56 -0.57 120.40 126.79 1xml s VAL 82 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1xml s VAL 82 Cb -0.15 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1xml s VAL 82 CO 0.01 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.90 1xml s ILE 83 N 0.17 1.60 -0.13 2.22 1.01 0.15 -0.60 121.20 125.62 1xml s ILE 83 Ca -0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1xml s ILE 83 Cb -0.15 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1xml s ILE 83 CO 0.06 0.29 -0.11 -0.76 0.00 0.00 0.00 174.94 174.41 1xml s LEU 84 N 1.44 2.83 -0.07 2.97 1.02 -0.96 -0.74 118.68 125.17 1xml s LEU 84 Ca 0.01 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1xml s LEU 84 Cb -0.15 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.43 1xml s LEU 84 CO -0.09 0.17 -0.08 -0.70 0.02 0.00 0.00 176.35 175.67 1xml s GLU 85 N 0.33 1.32 0.60 1.70 2.12 -0.15 -1.90 118.70 122.72 1xml s GLU 85 Ca -0.09 -0.25 -0.19 0.00 0.36 0.00 0.00 54.97 54.80 1xml s GLU 85 Cb -0.15 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.96 1xml s GLU 85 CO 0.05 -0.09 1.25 0.15 -0.54 0.00 0.00 175.26 176.09 1xml s LYS 86 N 1.05 2.90 0.21 4.30 -0.14 -0.90 -1.10 119.74 126.06 1xml s LYS 86 Ca -0.08 1.96 -0.05 0.00 -1.36 0.00 0.00 55.97 56.44 1xml s LYS 86 Cb -0.14 -1.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.98 1xml s LYS 86 CO -0.00 -1.30 0.46 0.95 -0.76 0.00 0.00 175.35 174.70 1xml s THR 87 N -1.49 5.09 0.67 2.17 -4.23 -1.19 -4.81 115.64 111.86 1xml s THR 87 Ca 0.78 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 61.15 1xml s THR 87 Cb -0.34 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.83 1xml s THR 87 CO 0.37 -0.13 1.24 -2.84 -0.54 0.00 0.00 174.62 172.72 1xml s PRO 88 N -3.08 2.48 0.45 3.99 0.02 -1.26 -4.99 135.00 132.61 1xml s PRO 88 Ca 0.42 1.88 -0.23 0.00 0.02 0.00 0.00 61.00 63.09 1xml s PRO 88 Cb -0.11 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 1xml s PRO 88 CO 0.27 -1.60 1.13 -0.06 -0.33 0.00 0.00 177.00 176.41 1xml s PHE 89 N -1.69 2.95 -0.14 6.54 0.40 -1.26 -5.05 117.98 119.73 1xml s PHE 89 Ca 0.78 1.56 -0.06 0.00 -0.60 0.00 0.00 56.93 58.61 1xml s PHE 89 Cb -0.32 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 39.87 1xml s PHE 89 CO 0.40 -1.28 0.07 -0.65 0.70 0.00 0.00 175.22 174.45 1xml s GLN 90 N -2.73 3.61 0.24 0.44 -0.21 -1.26 -5.03 119.66 114.73 1xml s GLN 90 Ca 0.63 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.67 1xml s GLN 90 Cb -0.26 -3.11 0.27 0.00 1.00 0.00 0.00 33.01 30.91 1xml s GLN 90 CO 0.32 0.50 1.71 0.28 -2.12 0.00 0.00 175.29 175.97 1xml h VAL 91 N 4.48 1.25 -0.11 1.09 2.07 -2.00 -2.95 116.25 120.08 1xml h VAL 91 Ca -0.45 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1xml h VAL 91 Cb 1.19 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1xml h VAL 91 CO 0.64 0.39 0.07 -0.33 0.02 0.00 0.00 177.57 178.36 1xml h GLU 92 N 0.72 0.14 -0.15 1.57 4.39 -2.00 -2.71 114.58 116.53 1xml h GLU 92 Ca 0.13 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1xml h GLU 92 Cb 0.56 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1xml h GLU 92 CO 0.03 0.09 -0.42 -0.56 -1.16 0.00 0.00 179.01 177.00 1xml h GLN 93 N 0.15 0.35 -0.17 2.33 -0.00 -1.99 -2.63 115.11 113.16 1xml h GLN 93 Ca 0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 1xml h GLN 93 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 1xml h GLN 93 CO -0.01 0.71 0.03 0.28 -0.00 0.00 0.00 178.83 179.84 1xml h VAL 94 N 0.29 1.22 -0.50 1.86 2.07 -1.40 -2.07 116.25 117.72 1xml h VAL 94 Ca 0.03 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1xml h VAL 94 Cb 0.86 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1xml h VAL 94 CO 0.07 0.22 0.07 0.00 0.02 0.00 0.00 177.57 177.95 1xml h ALA 95 N 0.82 1.17 -0.67 1.67 0.00 -1.48 -2.56 119.26 118.21 1xml h ALA 95 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xml h ALA 95 Cb 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xml h ALA 95 CO 0.00 0.55 0.29 0.37 0.00 0.00 0.00 179.25 180.46 1xml h GLN 96 N 0.76 0.98 -0.32 0.00 4.15 -1.38 -2.86 115.11 116.44 1xml h GLN 96 Ca 0.16 -0.16 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 1xml h GLN 96 Cb 0.36 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1xml h GLN 96 CO 0.01 0.80 -0.50 1.25 -1.93 0.00 0.00 178.83 178.46 1xml h LEU 97 N 0.94 0.99 -0.60 -2.39 5.85 -1.08 -3.23 115.31 115.78 1xml h LEU 97 Ca 0.23 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1xml h LEU 97 Cb 0.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1xml h LEU 97 CO -0.02 1.31 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.88 1xml h LEU 98 N 0.70 0.00 -0.87 2.25 3.38 -1.48 -2.97 115.31 116.33 1xml h LEU 98 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1xml h LEU 98 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xml h LEU 98 CO 0.11 0.44 -0.13 0.00 0.09 0.00 0.00 178.44 178.96 1xml h THR 99 N 0.00 0.27 0.00 0.22 1.03 -1.52 -3.44 112.91 109.47 1xml h THR 99 Ca -0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.40 1xml h THR 99 Cb 1.09 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.97 1xml h THR 99 CO 0.06 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.30 1xml n GLY 100 N 0.43 1.13 2.75 2.99 0.00 -1.12 -5.06 105.19 106.32 1xml n GLY 100 Ca 0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1xml n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xml s SER 101 N -1.00 3.73 0.71 1.61 0.01 -1.26 -5.08 113.70 112.43 1xml s SER 101 Ca 0.00 -2.92 -0.13 0.00 1.31 0.00 0.00 55.95 54.21 1xml s SER 101 Cb 0.00 -1.17 0.03 0.00 0.21 0.00 0.00 66.02 65.09 1xml s SER 101 CO 0.00 -0.22 1.10 -2.84 0.41 0.00 0.00 173.24 171.69 1xml s PRO 102 N -0.06 2.56 -0.43 12.44 0.02 -1.26 -4.98 135.00 143.29 1xml s PRO 102 Ca 0.20 1.27 -0.26 0.00 0.02 0.00 0.00 61.00 62.23 1xml s PRO 102 Cb -0.19 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1xml s PRO 102 CO -0.04 -1.42 0.97 -2.00 -0.33 0.00 0.00 177.00 174.17 1xml s GLU 103 N -4.49 3.67 0.05 5.54 2.12 -1.26 -5.02 118.70 119.30 1xml s GLU 103 Ca 0.64 0.37 0.01 0.00 0.36 0.00 0.00 54.97 56.35 1xml s GLU 103 Cb -0.19 -3.88 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 1xml s GLU 103 CO 0.48 -1.16 -0.05 -0.48 -0.54 0.00 0.00 175.26 173.51 1xml s LEU 104 N 3.79 2.36 -0.11 2.70 0.05 -1.26 -1.54 118.68 124.67 1xml s LEU 104 Ca 0.39 -0.74 -0.01 0.00 0.05 0.00 0.00 54.13 53.83 1xml s LEU 104 Cb -0.10 0.01 0.03 0.00 -2.05 0.00 0.00 46.19 44.07 1xml s LEU 104 CO 0.25 -0.38 -0.06 -1.58 -0.55 0.00 0.00 176.35 174.04 1xml s GLN 105 N -2.57 1.31 -0.19 1.48 0.74 -0.67 -4.98 119.66 114.78 1xml s GLN 105 Ca -0.03 -0.20 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 1xml s GLN 105 Cb -0.03 -1.50 -0.02 0.00 1.10 0.00 0.00 33.01 32.56 1xml s GLN 105 CO -0.03 -0.29 1.46 -1.17 -0.55 0.00 0.00 175.29 174.70 1xml s LEU 106 N 1.76 4.05 -0.00 3.68 2.96 -1.26 -1.12 118.68 128.74 1xml s LEU 106 Ca 0.05 1.66 -0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1xml s LEU 106 Cb -0.13 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1xml s LEU 106 CO -0.08 -1.03 0.52 -0.61 -1.32 0.00 0.00 176.35 173.84 1xml h GLN 107 N 9.52 -0.05 -3.32 1.98 5.75 -1.33 -3.48 115.11 124.17 1xml h GLN 107 Ca -0.31 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.14 1xml h GLN 107 Cb 1.13 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.56 1xml h GLN 107 CO 0.99 -0.04 -0.06 -0.59 -2.65 0.00 0.00 178.83 176.48 1xml s PHE 108 N -2.14 -0.23 -0.02 3.99 -0.12 -1.14 -5.02 117.98 113.29 1xml s PHE 108 Ca -0.01 -0.04 0.05 0.00 -0.05 0.00 0.00 56.93 56.88 1xml s PHE 108 Cb 0.00 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1xml s PHE 108 CO 0.02 -0.69 -0.18 -1.54 -0.05 0.00 0.00 175.22 172.78 1xml s SER 109 N -2.69 2.18 -0.40 1.98 1.04 -1.26 -0.86 113.70 113.70 1xml s SER 109 Ca 0.02 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.12 1xml s SER 109 Cb 0.01 -0.35 0.12 0.00 0.10 0.00 0.00 66.02 65.91 1xml s SER 109 CO -0.11 0.21 0.18 0.54 0.98 0.00 0.00 173.24 175.04 1xml s ASN 110 N -0.31 3.93 1.03 7.02 2.20 -0.23 -5.00 114.94 123.60 1xml s ASN 110 Ca 0.04 -2.33 0.00 0.00 -0.94 0.00 0.00 52.86 49.63 1xml s ASN 110 Cb -0.08 -1.10 0.00 0.00 -2.00 0.00 0.00 41.25 38.06 1xml s ASN 110 CO 0.00 -0.32 0.00 0.47 -2.94 0.00 0.00 177.10 174.31 1xml n ASP 111 N 3.95 0.00 0.16 3.54 8.00 -1.26 -1.98 116.55 128.97 1xml n ASP 111 Ca 0.05 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.59 1xml n ASP 111 Cb 0.37 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.67 1xml n ASP 111 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1xml h ILE 112 N 0.00 0.91 -3.42 0.53 3.07 -2.04 -3.44 117.51 113.13 1xml h ILE 112 Ca 0.00 -1.88 -0.54 0.00 1.55 0.00 0.00 64.86 63.99 1xml h ILE 112 Cb 0.00 2.16 -0.04 0.00 -0.27 0.00 0.00 36.82 38.67 1xml h ILE 112 CO 0.00 0.44 0.01 -0.31 -1.05 0.00 0.00 178.15 177.25 1xml s TYR 113 N -3.32 3.67 -0.12 0.16 1.51 -0.84 -5.09 117.35 113.32 1xml s TYR 113 Ca 0.02 1.25 -0.13 0.00 -1.01 0.00 0.00 57.07 57.20 1xml s TYR 113 Cb 0.10 -2.51 0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1xml s TYR 113 CO 0.71 0.42 0.36 -1.54 -1.11 0.00 0.00 175.55 174.39 1xml s SER 114 N -1.57 -0.36 -0.05 2.29 1.04 -1.26 -1.07 113.70 112.72 1xml s SER 114 Ca 0.38 0.66 0.05 0.00 0.48 0.00 0.00 55.95 57.53 1xml s SER 114 Cb -0.17 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1xml s SER 114 CO 0.20 -0.17 -0.21 -0.89 0.98 0.00 0.00 173.24 173.16 1xml s THR 115 N 0.01 1.69 0.09 2.02 2.01 -0.04 -5.01 115.64 116.42 1xml s THR 115 Ca -0.02 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1xml s THR 115 Cb -0.03 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1xml s THR 115 CO 0.01 0.48 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.04 1xml s TYR 116 N -0.10 0.85 -0.21 4.92 1.51 -1.26 -0.85 117.35 122.20 1xml s TYR 116 Ca -0.02 -0.90 -0.15 0.00 -1.01 0.00 0.00 57.07 54.99 1xml s TYR 116 Cb -0.12 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1xml s TYR 116 CO 0.02 -0.16 0.34 -1.01 -1.11 0.00 0.00 175.55 173.63 1xml s HIS 117 N -3.50 3.36 -0.15 2.71 3.76 -0.28 -4.87 115.29 116.32 1xml s HIS 117 Ca 0.10 0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1xml s HIS 117 Cb 0.04 -2.46 -0.03 0.00 1.11 0.00 0.00 32.58 31.24 1xml s HIS 117 CO -0.05 0.01 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.67 1xml s LEU 118 N 1.24 3.44 -0.50 0.89 2.96 -1.26 -1.67 118.68 123.78 1xml s LEU 118 Ca 0.16 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1xml s LEU 118 Cb -0.14 -1.83 0.13 0.00 0.50 0.00 0.00 46.19 44.85 1xml s LEU 118 CO 0.07 0.22 0.31 -0.36 -1.32 0.00 0.00 176.35 175.26 1xml s PHE 119 N 0.09 3.51 0.81 5.38 0.40 -0.59 -5.03 117.98 122.55 1xml s PHE 119 Ca 0.01 -2.53 -0.12 0.00 -0.60 0.00 0.00 56.93 53.69 1xml s PHE 119 Cb -0.13 -3.22 0.08 0.00 0.51 0.00 0.00 43.02 40.26 1xml s PHE 119 CO 0.02 -0.92 1.13 -1.25 0.70 0.00 0.00 175.22 174.90 1xml s PRO 120 N 0.64 1.95 0.98 0.24 0.05 -1.26 -4.24 135.00 133.36 1xml s PRO 120 Ca 0.12 0.35 -0.12 0.00 0.05 0.00 0.00 61.00 61.40 1xml s PRO 120 Cb -0.22 -1.93 0.18 0.00 0.05 0.00 0.00 34.50 32.58 1xml s PRO 120 CO -0.04 -1.65 1.08 -1.25 0.05 0.00 0.00 177.00 175.19 1xml s PRO 121 N -5.35 0.60 0.34 0.56 0.04 -1.26 -4.89 135.00 125.04 1xml s PRO 121 Ca 0.61 0.89 0.14 0.00 0.04 0.00 0.00 61.00 62.68 1xml s PRO 121 Cb -0.13 -1.73 1.10 0.00 0.04 0.00 0.00 34.50 33.78 1xml s PRO 121 CO 0.52 -2.71 1.62 0.00 0.04 0.00 0.00 177.00 176.46 1xml h ARG 122 N -1.90 0.14 -0.74 4.56 3.08 -2.00 -2.57 114.38 114.96 1xml h ARG 122 Ca -0.52 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.59 1xml h ARG 122 Cb 1.30 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.27 1xml h ARG 122 CO 0.52 0.09 0.48 0.37 -1.07 0.00 0.00 179.97 180.37 1xml h GLN 123 N 0.15 0.72 -0.00 0.04 -0.00 -2.04 -2.01 115.11 111.97 1xml h GLN 123 Ca 0.74 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 59.34 1xml h GLN 123 Cb 1.77 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 29.08 1xml h GLN 123 CO -0.72 0.48 -0.22 1.28 0.00 0.00 0.00 178.83 179.65 1xml n LEU 124 N -4.48 0.68 -0.85 -2.39 4.32 -0.97 -4.15 117.00 109.15 1xml n LEU 124 Ca 0.11 -0.08 0.11 0.00 -0.02 0.00 0.00 56.01 56.13 1xml n LEU 124 Cb 0.25 -0.19 0.29 0.00 -1.62 0.00 0.00 43.42 42.15 1xml n LEU 124 CO 0.33 0.13 0.73 0.59 -1.22 0.00 0.00 177.39 177.96 1xml n ASN 125 N -0.94 2.54 -4.70 -1.43 3.02 -0.76 -4.93 115.26 108.07 1xml n ASN 125 Ca 0.12 -1.86 -0.44 0.00 -0.03 0.00 0.00 54.58 52.37 1xml n ASN 125 Cb 0.32 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1xml n ASN 125 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xml n ASP 126 N 0.90 3.59 -4.16 6.41 2.03 -1.26 -4.95 116.55 119.11 1xml n ASP 126 Ca 0.17 1.07 -0.34 0.00 0.52 0.00 0.00 54.79 56.22 1xml n ASP 126 Cb 0.46 -1.51 -0.15 0.00 -0.72 0.00 0.00 41.12 39.21 1xml n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xml s VAL 127 N 1.09 2.56 0.05 5.18 1.01 -1.26 -3.18 120.40 125.85 1xml s VAL 127 Ca 0.77 -1.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1xml s VAL 127 Cb -0.58 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 1xml s VAL 127 CO 0.35 0.28 1.62 -0.54 0.00 0.00 0.00 175.10 176.80 1xml s LYS 128 N 1.29 4.21 -0.17 2.72 1.02 -0.25 -4.83 119.74 123.73 1xml s LYS 128 Ca 0.01 2.27 -0.00 0.00 0.02 0.00 0.00 55.97 58.26 1xml s LYS 128 Cb -0.16 -3.62 0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1xml s LYS 128 CO -0.07 -0.72 -0.06 0.99 -0.92 0.00 0.00 175.35 174.57 1xml s THR 129 N 2.70 1.21 -0.18 2.17 2.01 -1.25 -0.98 115.64 121.32 1xml s THR 129 Ca 0.72 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1xml s THR 129 Cb -0.38 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1xml s THR 129 CO 0.31 0.14 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.49 1xml s THR 130 N 1.59 4.06 -0.10 -0.82 2.01 0.08 -4.94 115.64 117.51 1xml s THR 130 Ca 0.00 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1xml s THR 130 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 1xml s THR 130 CO -0.08 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.45 1xml s VAL 131 N 0.68 2.75 -0.34 3.82 1.01 -1.26 -0.68 120.40 126.38 1xml s VAL 131 Ca -0.00 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1xml s VAL 131 Cb -0.14 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.23 1xml s VAL 131 CO 0.02 0.55 0.06 -0.69 0.00 0.00 0.00 175.10 175.04 1xml s VAL 132 N 0.12 2.20 -0.05 2.92 1.01 0.26 -4.99 120.40 121.88 1xml s VAL 132 Ca -0.08 -2.32 -0.02 0.00 0.00 0.00 0.00 61.98 59.56 1xml s VAL 132 Cb -0.15 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1xml s VAL 132 CO 0.05 -0.61 0.10 -0.47 0.00 0.00 0.00 175.10 174.17 1xml s TYR 133 N 0.91 -0.09 0.33 5.22 5.04 -1.26 -2.00 117.35 125.49 1xml s TYR 133 Ca 0.11 0.34 -0.26 0.00 -2.44 0.00 0.00 57.07 54.82 1xml s TYR 133 Cb -0.19 -0.12 -0.09 0.00 0.35 0.00 0.00 41.96 41.90 1xml s TYR 133 CO -0.09 -0.13 1.01 -2.14 -1.34 0.00 0.00 175.55 172.87 1xml s PRO 134 N 1.03 4.47 0.02 4.97 0.02 -1.26 -5.13 135.00 139.12 1xml s PRO 134 Ca -0.08 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 62.27 1xml s PRO 134 Cb -0.11 -2.84 -0.06 0.00 0.02 0.00 0.00 34.50 31.51 1xml s PRO 134 CO -0.04 0.14 0.53 0.00 -0.33 0.00 0.00 177.00 177.29 1xml s ALA 135 N -1.49 3.58 0.53 -1.55 0.00 -0.87 -5.00 121.76 116.95 1xml s ALA 135 Ca 0.51 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1xml s ALA 135 Cb -0.23 -2.60 0.05 0.00 0.00 0.00 0.00 23.12 20.33 1xml s ALA 135 CO 0.30 0.33 0.56 0.95 0.00 0.00 0.00 175.76 177.90 1xml s THR 136 N -0.74 2.09 0.47 0.00 -4.23 -1.26 -4.43 115.64 107.55 1xml s THR 136 Ca 0.28 -1.25 0.13 0.00 -1.18 0.00 0.00 61.69 59.68 1xml s THR 136 Cb -0.18 -2.34 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1xml s THR 136 CO 0.16 0.00 2.08 -0.08 -0.54 0.00 0.00 174.62 176.25 1xml h GLU 137 N 0.57 0.13 -0.35 3.99 4.57 -2.00 -2.34 114.58 119.15 1xml h GLU 137 Ca -0.35 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 57.67 1xml h GLU 137 Cb 1.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1xml h GLU 137 CO 0.50 0.14 -0.39 0.87 -1.18 0.00 0.00 179.01 178.95 1xml h LYS 138 N 0.13 0.83 -0.41 1.92 1.57 -1.99 -2.86 116.57 115.78 1xml h LYS 138 Ca 0.03 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1xml h LYS 138 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1xml h LYS 138 CO -0.00 1.07 0.08 0.45 -0.57 0.00 0.00 179.45 180.48 1xml h HIS 139 N 0.68 0.62 -0.20 -1.35 3.86 -1.82 -2.38 115.15 114.56 1xml h HIS 139 Ca 0.06 -0.05 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 1xml h HIS 139 Cb 0.95 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 29.25 1xml h HIS 139 CO 0.05 0.54 -0.70 -0.07 0.86 0.00 0.00 177.93 178.62 1xml h LEU 140 N 0.59 0.95 0.00 2.43 3.38 -1.38 -3.00 115.31 118.29 1xml h LEU 140 Ca 0.13 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xml h LEU 140 Cb 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xml h LEU 140 CO -0.00 1.39 -0.06 0.00 0.09 0.00 0.00 178.44 179.86 1xml n GLN 141 N -3.96 0.03 0.10 1.13 1.13 -1.09 -2.12 117.38 112.61 1xml n GLN 141 Ca -0.06 0.02 -0.21 0.00 -1.94 0.00 0.00 57.00 54.81 1xml n GLN 141 Cb 0.71 -1.53 -0.13 0.00 0.11 0.00 0.00 30.24 29.40 1xml n GLN 141 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1xml h LYS 142 N 0.00 0.55 0.00 -1.09 1.63 -1.30 -3.36 116.57 113.00 1xml h LYS 142 Ca 0.00 -0.76 0.00 0.00 -0.85 0.00 0.00 60.65 59.04 1xml h LYS 142 Cb 0.53 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1xml h LYS 142 CO 0.00 1.34 -1.42 0.66 -3.45 0.00 0.00 179.45 176.59 1xml n TYR 143 N -3.74 0.56 -1.67 1.91 4.02 -1.14 -4.94 117.16 112.15 1xml n TYR 143 Ca -0.13 0.16 -0.44 0.00 -0.01 0.00 0.00 57.90 57.49 1xml n TYR 143 Cb 0.99 -0.76 -0.01 0.00 -0.02 0.00 0.00 39.34 39.54 1xml n TYR 143 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1xml n LEU 144 N -2.49 3.09 -4.65 7.72 7.94 -0.90 -4.26 117.00 123.44 1xml n LEU 144 Ca -0.02 1.18 -0.46 0.00 -1.11 0.00 0.00 56.01 55.60 1xml n LEU 144 Cb 0.56 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.04 1xml n LEU 144 CO 0.43 -0.65 1.04 -1.14 -1.11 0.00 0.00 177.39 175.96 1xml n ARG 145 N 1.05 1.91 -1.77 1.96 3.00 -0.99 -4.88 116.66 116.94 1xml n ARG 145 Ca 0.08 0.69 -0.42 0.00 -0.00 0.00 0.00 57.85 58.20 1xml n ARG 145 Cb 0.34 -2.37 -0.02 0.00 0.00 0.00 0.00 32.46 30.41 1xml n ARG 145 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1xml s GLN 146 N 0.16 4.13 -0.47 -0.14 -1.52 -1.26 -4.97 119.66 115.58 1xml s GLN 146 Ca 0.74 2.58 -0.09 0.00 -1.95 0.00 0.00 55.36 56.64 1xml s GLN 146 Cb -0.71 -3.05 0.12 0.00 -0.22 0.00 0.00 33.01 29.15 1xml s GLN 146 CO 0.45 -0.68 0.34 0.34 -0.25 0.00 0.00 175.29 175.49 1xml s ASP 147 N 0.82 5.67 0.07 5.90 2.15 -1.26 -5.09 116.67 124.93 1xml s ASP 147 Ca 0.68 -1.95 0.01 0.00 0.43 0.00 0.00 52.55 51.73 1xml s ASP 147 Cb -0.48 -1.99 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1xml s ASP 147 CO 0.40 -0.68 0.17 -0.76 -0.17 0.00 0.00 175.17 174.13 1xml s LEU 148 N 1.31 4.17 -0.03 -1.34 1.43 -1.26 -0.60 118.68 122.36 1xml s LEU 148 Ca 0.06 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1xml s LEU 148 Cb -0.26 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.18 1xml s LEU 148 CO -0.01 0.16 -0.08 -0.13 0.23 0.00 0.00 176.35 176.53 1xml s ARG 149 N -2.51 0.91 0.24 1.70 1.81 0.32 -4.85 118.95 116.56 1xml s ARG 149 Ca 0.33 -0.25 -0.30 0.00 -1.72 0.00 0.00 55.73 53.80 1xml s ARG 149 Cb -0.13 -0.86 -0.09 0.00 -0.45 0.00 0.00 34.95 33.43 1xml s ARG 149 CO 0.26 0.06 0.97 -1.17 -0.68 0.00 0.00 175.30 174.73 1xml s LEU 150 N 0.37 4.63 0.06 2.53 2.96 -1.26 -1.18 118.68 126.79 1xml s LEU 150 Ca -0.06 1.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.88 1xml s LEU 150 Cb -0.10 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1xml s LEU 150 CO 0.01 0.10 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.51 1xml s ILE 151 N -1.09 0.86 -0.30 6.68 2.07 0.25 -4.96 121.20 124.72 1xml s ILE 151 Ca 0.42 -1.24 -0.03 0.00 -1.41 0.00 0.00 60.65 58.40 1xml s ILE 151 Cb -0.27 -0.90 0.05 0.00 0.13 0.00 0.00 42.46 41.47 1xml s ILE 151 CO 0.33 -0.31 0.02 -0.13 -1.91 0.00 0.00 174.94 172.93 1xml s ARG 152 N -1.75 2.50 -0.40 3.50 0.52 -1.26 -1.62 118.95 120.43 1xml s ARG 152 Ca -0.05 -1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 53.77 1xml s ARG 152 Cb -0.09 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.16 1xml s ARG 152 CO 0.01 -0.61 0.39 -2.00 0.02 0.00 0.00 175.30 173.11 1xml s GLU 153 N 1.29 3.19 0.88 3.54 2.12 0.11 -4.91 118.70 124.91 1xml s GLU 153 Ca -0.04 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.45 1xml s GLU 153 Cb -0.20 -3.93 0.12 0.00 0.26 0.00 0.00 34.13 30.39 1xml s GLU 153 CO -0.00 -0.75 1.10 0.95 -0.54 0.00 0.00 175.26 176.02 1xml s THR 154 N 2.02 2.66 0.26 -1.70 -4.23 -1.26 -0.86 115.64 112.52 1xml s THR 154 Ca 0.11 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1xml s THR 154 Cb -0.17 -2.79 0.24 0.00 1.34 0.00 0.00 72.50 71.12 1xml s THR 154 CO 0.12 -0.28 1.80 1.23 -0.54 0.00 0.00 174.62 176.96 1xml h GLY 155 N -1.46 1.41 1.34 3.99 0.00 -1.66 -1.31 103.07 105.38 1xml h GLY 155 Ca -0.49 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.39 1xml h GLY 155 CO 0.57 0.08 -0.26 -0.55 0.00 0.00 0.00 176.54 176.37 1xml h ASP 156 N 0.79 0.77 -0.89 0.19 3.32 -1.88 -2.26 116.42 116.46 1xml h ASP 156 Ca 0.45 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xml h ASP 156 Cb 0.50 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1xml h ASP 156 CO -0.29 0.99 0.53 0.44 -1.72 0.00 0.00 179.24 179.20 1xml h ASP 157 N 0.64 1.07 -0.11 6.45 3.32 -1.70 0.26 116.42 126.35 1xml h ASP 157 Ca 0.08 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xml h ASP 157 Cb 0.78 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1xml h ASP 157 CO 0.06 0.82 0.04 0.22 -1.72 0.00 0.00 179.24 178.66 1xml h TYR 158 N 1.22 0.18 -0.65 4.55 3.20 -1.02 0.67 116.97 125.12 1xml h TYR 158 Ca 0.32 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.11 1xml h TYR 158 Cb -0.05 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1xml h TYR 158 CO 0.00 0.30 0.15 0.00 -1.64 0.00 0.00 178.16 176.97 1xml h ARG 159 N 0.01 1.05 0.00 1.82 3.08 -1.19 -0.81 114.38 118.34 1xml h ARG 159 Ca 0.04 -0.26 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 1xml h ARG 159 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1xml h ARG 159 CO -0.00 0.95 -1.50 0.09 -1.07 0.00 0.00 179.97 178.44 1xml n ASN 160 N -4.29 0.85 0.08 7.04 3.02 0.06 -4.49 115.26 117.52 1xml n ASN 160 Ca 0.04 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1xml n ASN 160 Cb 0.26 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1xml n ASN 160 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1xml n ILE 161 N -2.92 0.89 0.06 2.41 5.41 0.18 -4.71 119.36 120.67 1xml n ILE 161 Ca -0.12 0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.80 1xml n ILE 161 Cb 0.89 -1.28 -0.08 0.00 -0.71 0.00 0.00 39.64 38.46 1xml n ILE 161 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1xml h THR 162 N 0.00 1.01 0.04 1.39 2.02 -1.33 -2.12 112.91 113.92 1xml h THR 162 Ca 0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1xml h THR 162 Cb 0.00 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1xml h THR 162 CO 0.00 0.06 -0.02 0.25 0.37 0.00 0.00 175.52 176.18 1xml h LEU 163 N -0.20 -0.05 -1.37 2.58 6.46 -1.40 -0.72 115.31 120.62 1xml h LEU 163 Ca -0.01 -0.22 0.10 0.00 -0.12 0.00 0.00 57.88 57.63 1xml h LEU 163 Cb 0.17 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 1xml h LEU 163 CO 0.02 0.20 0.52 -0.65 -0.62 0.00 0.00 178.44 177.90 1xml h PRO 164 N -0.29 0.67 -0.19 5.25 0.11 -1.78 -0.55 132.00 135.22 1xml h PRO 164 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1xml h PRO 164 Cb 0.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1xml h PRO 164 CO 0.01 0.44 0.03 1.25 -0.21 0.00 0.00 178.00 179.53 1xml h HIS 165 N 0.69 0.32 -0.56 0.65 -0.00 -0.90 -1.62 115.15 113.74 1xml h HIS 165 Ca 0.37 -0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.77 1xml h HIS 165 Cb 0.50 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.76 1xml h HIS 165 CO -0.00 0.45 0.22 1.25 -0.00 0.00 0.00 177.93 179.85 1xml h LEU 166 N 0.10 0.23 -0.96 0.26 6.46 -0.60 -2.45 115.31 118.35 1xml h LEU 166 Ca 0.06 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1xml h LEU 166 Cb 0.30 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1xml h LEU 166 CO 0.00 0.15 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.62 1xml h GLU 167 N 0.41 0.72 0.00 1.25 5.08 -1.00 -2.60 114.58 118.43 1xml h GLU 167 Ca 0.27 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1xml h GLU 167 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1xml h GLU 167 CO -0.26 0.76 -0.26 0.66 -1.00 0.00 0.00 179.01 178.91 1xml h SER 168 N 0.67 0.00 -3.42 1.42 4.64 -0.83 -3.38 113.55 112.66 1xml h SER 168 Ca 0.13 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.90 1xml h SER 168 Cb 0.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 1xml h SER 168 CO 0.02 0.26 0.18 -1.10 -0.87 0.00 0.00 176.83 175.32 1xml s GLN 169 N -4.26 4.50 -0.85 4.77 -0.21 -0.98 -4.97 119.66 117.66 1xml s GLN 169 Ca -0.03 1.08 0.01 0.00 0.02 0.00 0.00 55.36 56.44 1xml s GLN 169 Cb 0.14 -3.40 0.34 0.00 1.00 0.00 0.00 33.01 31.09 1xml s GLN 169 CO 0.68 0.18 1.59 0.43 -2.12 0.00 0.00 175.29 176.05 1xml n SER 170 N 3.18 6.50 -4.66 5.90 7.64 -1.26 -4.86 113.62 126.07 1xml n SER 170 Ca -0.01 -3.71 -0.42 0.00 1.01 0.00 0.00 58.87 55.73 1xml n SER 170 Cb 0.51 -0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1xml n SER 170 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xml s LEU 171 N -4.03 4.26 0.15 -3.43 1.43 -1.26 -4.92 118.68 110.88 1xml s LEU 171 Ca 0.44 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 55.40 1xml s LEU 171 Cb 0.26 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1xml s LEU 171 CO -0.18 -0.97 1.22 -0.55 0.23 0.00 0.00 176.35 176.10 1xml s SER 172 N 3.49 7.05 0.00 2.29 0.15 -1.26 -4.92 113.70 120.49 1xml s SER 172 Ca 0.73 2.20 0.15 0.00 0.70 0.00 0.00 55.95 59.74 1xml s SER 172 Cb -0.32 -2.60 0.34 0.00 -1.71 0.00 0.00 66.02 61.73 1xml s SER 172 CO 0.29 -0.43 1.25 -0.38 1.20 0.00 0.00 173.24 175.18 1xml n ILE 173 N 2.98 0.71 -0.33 6.45 2.08 -1.26 -4.72 119.36 125.27 1xml n ILE 173 Ca 0.06 -0.86 0.14 0.00 0.56 0.00 0.00 62.75 62.65 1xml n ILE 173 Cb 0.45 0.74 0.36 0.00 -0.75 0.00 0.00 39.64 40.43 1xml n ILE 173 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1xml h GLN 174 N 2.91 0.69 -0.71 0.38 5.75 -2.00 0.02 115.11 122.16 1xml h GLN 174 Ca 0.00 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.53 1xml h GLN 174 Cb 0.78 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 1xml h GLN 174 CO 0.00 0.46 0.47 0.11 -2.65 0.00 0.00 178.83 177.21 1xml h TRP 175 N 0.71 0.71 -0.13 3.99 5.08 -2.00 0.65 115.95 124.98 1xml h TRP 175 Ca 0.55 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.52 1xml h TRP 175 Cb 0.92 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 26.84 1xml h TRP 175 CO -0.00 0.37 0.02 0.28 -1.28 0.00 0.00 178.44 177.82 1xml h VAL 176 N 0.70 1.22 -0.60 0.12 2.07 -1.36 -2.74 116.25 115.66 1xml h VAL 176 Ca 0.31 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1xml h VAL 176 Cb 0.32 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1xml h VAL 176 CO -0.10 0.20 0.37 1.88 0.02 0.00 0.00 177.57 179.94 1xml h TYR 177 N -0.02 0.77 -0.44 1.57 0.99 -0.96 -1.56 116.97 117.31 1xml h TYR 177 Ca 0.04 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1xml h TYR 177 Cb 0.30 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 37.75 1xml h TYR 177 CO 0.02 0.50 0.09 -0.91 -0.00 0.00 0.00 178.16 177.86 1xml h ASN 178 N 0.82 0.62 -0.22 3.88 2.35 -0.83 0.49 115.58 122.69 1xml h ASN 178 Ca 0.22 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1xml h ASN 178 Cb -0.06 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1xml h ASN 178 CO -0.04 0.64 -0.16 0.40 -1.65 0.00 0.00 177.43 176.62 1xml h ILE 179 N 0.65 1.32 0.00 2.81 2.04 -1.07 0.19 117.51 123.45 1xml h ILE 179 Ca 0.15 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 1xml h ILE 179 Cb 0.28 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1xml h ILE 179 CO 0.00 0.39 -0.34 -0.07 0.00 0.00 0.00 178.15 178.14 1xml h LEU 180 N 0.18 0.00 -1.09 1.44 3.38 -0.96 -2.59 115.31 115.67 1xml h LEU 180 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xml h LEU 180 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1xml h LEU 180 CO 0.04 0.34 0.00 0.47 0.09 0.00 0.00 178.44 179.38 1xml n ASP 181 N -3.90 1.68 -0.88 -0.43 8.00 0.13 -4.94 116.55 116.21 1xml n ASP 181 Ca -0.02 -1.60 -0.11 0.00 0.71 0.00 0.00 54.79 53.78 1xml n ASP 181 Cb 0.40 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1xml n ASP 181 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xml n LYS 182 N 0.31 -0.76 0.00 -1.24 4.76 -0.98 -4.90 118.16 115.35 1xml n LYS 182 Ca 0.18 0.83 0.12 0.00 -2.87 0.00 0.00 58.31 56.57 1xml n LYS 182 Cb 0.37 -4.80 0.33 0.00 -1.84 0.00 0.00 35.03 29.08 1xml n LYS 182 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xml n LYS 183 N -2.59 0.01 -3.70 1.97 4.76 0.62 -4.76 118.16 114.47 1xml n LYS 183 Ca -0.11 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.20 1xml n LYS 183 Cb 0.39 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1xml n LYS 183 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xml s ALA 184 N -3.00 -1.22 -1.29 7.82 0.00 -0.84 -4.94 121.76 118.30 1xml s ALA 184 Ca 0.12 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1xml s ALA 184 Cb 0.18 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1xml s ALA 184 CO 0.66 -0.25 0.00 0.39 0.00 0.00 0.00 175.76 176.57 1xml n GLU 185 N 2.53 -1.92 0.07 0.00 1.02 -1.26 -4.20 120.64 116.88 1xml n GLU 185 Ca -0.15 0.73 0.01 0.00 -0.02 0.00 0.00 57.16 57.73 1xml n GLU 185 Cb 0.57 -5.26 0.36 0.00 -0.02 0.00 0.00 31.44 27.09 1xml n GLU 185 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xml h ALA 186 N 0.92 1.47 0.00 0.62 0.00 -1.89 -1.53 119.26 118.84 1xml h ALA 186 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xml h ALA 186 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xml h ALA 186 CO 0.41 0.38 0.00 0.38 0.00 0.00 0.00 179.25 180.41 1xml h ASP 187 N 0.35 0.00 1.09 0.00 2.03 -1.97 -2.95 116.42 114.98 1xml h ASP 187 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1xml h ASP 187 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1xml h ASP 187 CO 0.01 0.00 -0.46 0.03 -1.03 0.00 0.00 179.24 177.79 1xml h ARG 188 N 0.00 0.00 -6.65 4.15 3.08 -1.66 -3.46 114.38 109.84 1xml h ARG 188 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1xml h ARG 188 Cb 0.47 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.58 1xml h ARG 188 CO 0.00 0.00 0.93 0.42 -1.07 0.00 0.00 179.97 180.25 1xml s ILE 189 N -3.17 2.34 -0.18 2.04 1.01 -1.12 -4.24 121.20 117.88 1xml s ILE 189 Ca 0.07 0.25 0.18 0.00 0.00 0.00 0.00 60.65 61.15 1xml s ILE 189 Cb 0.12 -3.16 -0.26 0.00 0.01 0.00 0.00 42.46 39.18 1xml s ILE 189 CO 0.69 0.02 0.11 0.52 0.00 0.00 0.00 174.94 176.29 1xml n VAL 190 N 3.77 1.24 -3.60 2.92 0.31 0.37 -4.99 118.33 118.35 1xml n VAL 190 Ca 0.14 -0.82 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 1xml n VAL 190 Cb 0.37 -0.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.82 1xml n VAL 190 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1xml s PHE 191 N -2.60 -0.72 -0.03 3.52 5.36 -1.18 -5.00 117.98 117.32 1xml s PHE 191 Ca -0.10 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1xml s PHE 191 Cb 0.07 0.31 0.02 0.00 -0.34 0.00 0.00 43.02 43.08 1xml s PHE 191 CO 0.84 -0.42 -0.03 -2.00 -1.46 0.00 0.00 175.22 172.15 1xml s GLU 192 N -0.04 0.60 -0.43 10.12 2.12 -1.26 -0.48 118.70 129.33 1xml s GLU 192 Ca -0.02 -0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.09 1xml s GLU 192 Cb -0.04 -0.67 0.03 0.00 0.26 0.00 0.00 34.13 33.71 1xml s GLU 192 CO 0.03 -0.08 0.43 1.21 -0.54 0.00 0.00 175.26 176.31 1xml s ASN 193 N 0.84 6.18 0.00 -1.70 3.84 -0.35 -4.99 114.94 118.77 1xml s ASN 193 Ca -0.10 -0.74 0.28 0.00 0.21 0.00 0.00 52.86 52.51 1xml s ASN 193 Cb -0.13 -2.22 1.66 0.00 -0.55 0.00 0.00 41.25 40.01 1xml s ASN 193 CO -0.00 -0.58 2.01 -0.81 -2.79 0.00 0.00 177.10 174.92 1xml n PRO 194 N 5.56 0.88 -1.68 0.43 -0.04 -1.26 -0.98 135.00 137.91 1xml n PRO 194 Ca -0.08 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.93 1xml n PRO 194 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1xml n PRO 194 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xml n ASP 195 N -1.00 3.67 -0.13 3.54 -0.08 -1.26 -4.87 116.55 116.43 1xml n ASP 195 Ca 0.21 0.97 0.12 0.00 -1.51 0.00 0.00 54.79 54.58 1xml n ASP 195 Cb 0.10 -1.44 0.47 0.00 2.34 0.00 0.00 41.12 42.58 1xml n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xml h PRO 196 N 8.97 0.47 0.04 -0.67 0.11 -1.93 -0.26 132.00 138.73 1xml h PRO 196 Ca -0.48 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.22 1xml h PRO 196 Cb 1.25 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1xml h PRO 196 CO 0.94 0.31 -2.33 -1.13 -0.21 0.00 0.00 178.00 175.58 1xml n SER 197 N -4.48 1.98 -0.22 -2.05 3.41 -1.26 -2.98 113.62 108.02 1xml n SER 197 Ca 0.11 -0.03 0.02 0.00 -0.26 0.00 0.00 58.87 58.71 1xml n SER 197 Cb 0.39 -0.52 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 1xml n SER 197 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xml n ASP 198 N -3.31 2.32 -4.89 4.04 8.00 -1.24 -4.50 116.55 116.97 1xml n ASP 198 Ca -0.41 -2.01 -0.21 0.00 0.71 0.00 0.00 54.79 52.87 1xml n ASP 198 Cb 1.01 -0.08 0.07 0.00 -0.02 0.00 0.00 41.12 42.10 1xml n ASP 198 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xml s GLY 199 N -1.01 1.79 0.18 0.44 0.00 -0.11 -4.49 107.32 104.12 1xml s GLY 199 Ca 0.08 -1.80 -0.24 0.00 0.00 0.00 0.00 44.72 42.76 1xml s GLY 199 CO 0.05 -1.37 0.89 -0.11 0.00 0.00 0.00 173.10 172.57 1xml s PHE 200 N -2.81 -0.16 -0.02 1.90 -0.12 -0.15 -1.83 117.98 114.79 1xml s PHE 200 Ca 0.62 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 57.40 1xml s PHE 200 Cb -0.07 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 1xml s PHE 200 CO 0.40 -0.92 -0.25 0.08 -0.05 0.00 0.00 175.22 174.49 1xml s VAL 201 N -3.44 1.93 -0.20 -2.49 1.01 -0.36 -1.21 120.40 115.64 1xml s VAL 201 Ca 0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1xml s VAL 201 Cb -0.02 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1xml s VAL 201 CO 0.03 0.54 -0.08 -0.22 0.00 0.00 0.00 175.10 175.36 1xml s LEU 202 N -0.60 2.73 -0.03 3.92 2.96 0.36 -1.02 118.68 127.00 1xml s LEU 202 Ca 0.09 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1xml s LEU 202 Cb -0.09 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 1xml s LEU 202 CO -0.01 0.00 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.27 1xml s ILE 203 N 1.32 1.08 0.47 6.68 1.01 -0.08 -0.47 121.20 131.21 1xml s ILE 203 Ca 0.04 -0.53 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1xml s ILE 203 Cb -0.14 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.33 1xml s ILE 203 CO -0.04 0.32 1.23 -2.84 0.00 0.00 0.00 174.94 173.61 1xml s PRO 204 N 0.03 3.65 0.43 2.79 0.02 -1.26 -0.71 135.00 139.96 1xml s PRO 204 Ca -0.02 1.94 -0.26 0.00 0.02 0.00 0.00 61.00 62.69 1xml s PRO 204 Cb -0.09 -2.43 -0.09 0.00 0.02 0.00 0.00 34.50 31.91 1xml s PRO 204 CO 0.01 -0.69 1.42 0.34 -0.33 0.00 0.00 177.00 177.75 1xml s ASP 205 N -1.16 5.99 0.34 2.53 -1.08 -0.29 -4.84 116.67 118.17 1xml s ASP 205 Ca 0.64 2.90 0.03 0.00 -0.52 0.00 0.00 52.55 55.61 1xml s ASP 205 Cb -0.33 -2.65 0.61 0.00 -1.46 0.00 0.00 42.92 39.09 1xml s ASP 205 CO 0.40 -1.09 1.93 -0.03 0.52 0.00 0.00 175.17 176.90 1xml h MET 206 N 2.46 0.66 -0.36 4.34 1.85 -1.94 -2.40 114.93 119.55 1xml h MET 206 Ca -0.51 -0.10 -0.07 0.00 -0.61 0.00 0.00 59.70 58.42 1xml h MET 206 Cb 1.26 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 33.15 1xml h MET 206 CO 0.62 0.56 -0.06 0.87 -0.40 0.00 0.00 176.91 178.49 1xml h LYS 207 N 0.66 0.59 -6.68 0.39 1.57 -1.97 -3.42 116.57 107.71 1xml h LYS 207 Ca 0.16 -0.16 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1xml h LYS 207 Cb 0.15 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.41 1xml h LYS 207 CO -0.01 0.66 0.51 -0.46 -0.57 0.00 0.00 179.45 179.58 1xml s TRP 208 N -4.85 3.51 -0.98 -1.35 -0.00 -0.90 -4.96 118.94 109.41 1xml s TRP 208 Ca -0.08 1.53 0.11 0.00 -0.00 0.00 0.00 56.10 57.66 1xml s TRP 208 Cb 0.15 -3.35 0.32 0.00 -0.00 0.00 0.00 33.47 30.59 1xml s TRP 208 CO 0.79 -0.88 1.26 0.27 -0.00 0.00 0.00 176.95 178.39 1xml n ASN 209 N 2.28 2.95 -1.26 5.86 6.94 -1.26 -4.78 115.26 126.00 1xml n ASN 209 Ca 0.03 -1.99 -0.16 0.00 -0.02 0.00 0.00 54.58 52.43 1xml n ASN 209 Cb 0.45 -0.24 -0.07 0.00 -2.36 0.00 0.00 39.78 37.56 1xml n ASN 209 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xml n GLN 210 N 0.56 -1.49 -0.04 -3.83 6.02 -1.26 -4.84 117.38 112.51 1xml n GLN 210 Ca 0.12 1.08 -0.09 0.00 -0.01 0.00 0.00 57.00 58.10 1xml n GLN 210 Cb 0.43 -5.44 -0.14 0.00 1.02 0.00 0.00 30.24 26.11 1xml n GLN 210 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xml n GLN 211 N -1.84 0.65 -4.01 -1.09 6.02 -1.26 -4.94 117.38 110.90 1xml n GLN 211 Ca -0.16 0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 56.93 1xml n GLN 211 Cb 0.63 -1.73 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 1xml n GLN 211 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1xml s GLN 212 N -2.58 0.29 0.08 -1.09 0.00 -1.26 -5.06 119.66 110.05 1xml s GLN 212 Ca -0.06 -0.35 0.28 0.00 -0.00 0.00 0.00 55.36 55.23 1xml s GLN 212 Cb 0.08 -0.14 1.01 0.00 0.00 0.00 0.00 33.01 33.96 1xml s GLN 212 CO 0.83 0.03 1.83 1.28 0.00 0.00 0.00 175.29 179.25 1xml n LEU 213 N 2.37 0.36 0.19 2.60 4.77 -1.26 -3.72 117.00 122.31 1xml n LEU 213 Ca -0.17 0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 1xml n LEU 213 Cb 0.57 -0.41 0.58 0.00 -2.33 0.00 0.00 43.42 41.84 1xml n LEU 213 CO 0.23 -0.07 1.09 0.44 -1.33 0.00 0.00 177.39 177.76 1xml h ASP 214 N 0.00 0.12 -0.11 -1.43 3.32 -1.97 -2.60 116.42 113.75 1xml h ASP 214 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1xml h ASP 214 Cb 0.60 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1xml h ASP 214 CO 0.00 0.09 -0.43 -0.90 -1.72 0.00 0.00 179.24 176.28 1xml n ASP 215 N -4.52 2.04 -4.66 6.45 3.85 -1.24 -3.23 116.55 115.24 1xml n ASP 215 Ca -0.01 -3.88 -0.50 0.00 -0.71 0.00 0.00 54.79 49.68 1xml n ASP 215 Cb 0.09 -0.54 -0.05 0.00 -1.35 0.00 0.00 41.12 39.26 1xml n ASP 215 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1xml n LEU 216 N -1.10 2.69 -3.36 -2.12 0.00 -0.98 -4.88 117.00 107.26 1xml n LEU 216 Ca 0.23 1.06 -0.10 0.00 0.00 0.00 0.00 56.01 57.20 1xml n LEU 216 Cb 0.77 -1.29 -0.08 0.00 0.00 0.00 0.00 43.42 42.82 1xml n LEU 216 CO 0.03 -0.44 -0.07 -0.47 0.00 0.00 0.00 177.39 176.44 1xml s TYR 217 N 2.21 -0.79 0.19 1.96 6.04 -1.25 -1.49 117.35 124.21 1xml s TYR 217 Ca 0.88 0.64 0.08 0.00 0.04 0.00 0.00 57.07 58.71 1xml s TYR 217 Cb -0.83 -0.07 -0.04 0.00 -1.04 0.00 0.00 41.96 39.98 1xml s TYR 217 CO 0.50 -0.77 -0.15 -0.51 -1.54 0.00 0.00 175.55 173.08 1xml s LEU 218 N 2.52 2.52 -0.05 6.97 1.02 0.07 -1.14 118.68 130.59 1xml s LEU 218 Ca 0.12 -0.97 0.05 0.00 0.02 0.00 0.00 54.13 53.35 1xml s LEU 218 Cb -0.15 -0.67 -0.00 0.00 0.02 0.00 0.00 46.19 45.38 1xml s LEU 218 CO -0.19 -0.15 -0.19 -0.51 0.02 0.00 0.00 176.35 175.33 1xml s ILE 219 N -2.72 1.58 -0.20 -0.59 2.07 0.11 -0.71 121.20 120.74 1xml s ILE 219 Ca 0.19 -0.80 -0.08 0.00 -1.41 0.00 0.00 60.65 58.56 1xml s ILE 219 Cb -0.02 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.18 1xml s ILE 219 CO 0.06 0.45 0.07 0.00 -1.91 0.00 0.00 174.94 173.61 1xml s ALA 220 N 0.00 3.34 -0.17 1.50 0.00 0.33 -0.90 121.76 125.86 1xml s ALA 220 Ca -0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1xml s ALA 220 Cb -0.12 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1xml s ALA 220 CO 0.03 -0.04 -0.11 0.42 0.00 0.00 0.00 175.76 176.06 1xml s ILE 221 N 0.78 2.98 0.49 0.00 1.01 -0.19 -0.83 121.20 125.44 1xml s ILE 221 Ca 0.04 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 1xml s ILE 221 Cb -0.13 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 39.96 1xml s ILE 221 CO 0.02 0.49 1.07 0.00 0.00 0.00 0.00 174.94 176.52 1xml h HIS 223 N 1.57 0.32 -3.41 0.00 3.86 -1.63 -3.45 115.15 112.42 1xml h HIS 223 Ca -0.50 -0.11 -0.53 0.00 -1.16 0.00 0.00 60.37 58.08 1xml h HIS 223 Cb 1.23 -0.06 0.06 0.00 1.06 0.00 0.00 27.41 29.70 1xml h HIS 223 CO 0.55 0.75 0.77 0.50 0.86 0.00 0.00 177.93 181.36 1xml s ARG 224 N -3.88 4.25 0.23 2.45 3.52 -1.16 -4.96 118.95 119.40 1xml s ARG 224 Ca -0.04 2.34 -0.04 0.00 -0.13 0.00 0.00 55.73 57.86 1xml s ARG 224 Cb 0.12 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1xml s ARG 224 CO 0.79 -0.44 0.46 1.03 -0.81 0.00 0.00 175.30 176.33 1xml s ARG 225 N -0.49 3.60 0.00 5.12 0.52 -1.26 -4.54 118.95 121.90 1xml s ARG 225 Ca 0.59 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 1xml s ARG 225 Cb -0.43 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.29 1xml s ARG 225 CO 0.45 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.51 1xml n GLY 226 N -0.60 0.66 3.45 -3.53 0.00 -1.26 -5.01 105.19 98.90 1xml n GLY 226 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1xml n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xml s ILE 227 N -2.62 4.43 0.14 -0.61 1.01 -1.26 -4.90 121.20 117.38 1xml s ILE 227 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 1xml s ILE 227 Cb 0.00 -4.62 -0.08 0.00 0.01 0.00 0.00 42.46 37.77 1xml s ILE 227 CO 0.00 -1.34 1.42 0.03 0.00 0.00 0.00 174.94 175.06 1xml h ARG 228 N 9.45 0.83 0.00 2.79 3.08 -1.95 0.46 114.38 129.04 1xml h ARG 228 Ca -0.28 -0.53 0.13 0.00 0.07 0.00 0.00 59.98 59.37 1xml h ARG 228 Cb 1.07 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1xml h ARG 228 CO 1.15 1.16 0.38 -1.13 -1.07 0.00 0.00 179.97 180.46 1xml n SER 229 N -4.00 -0.76 -0.38 7.04 3.41 -1.26 -2.98 113.62 114.69 1xml n SER 229 Ca -0.04 -1.31 0.30 0.00 -0.26 0.00 0.00 58.87 57.56 1xml n SER 229 Cb 0.63 1.21 0.59 0.00 -0.26 0.00 0.00 64.21 66.38 1xml n SER 229 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xml h LEU 230 N 0.00 0.33 -2.35 1.04 5.85 -1.94 -1.54 115.31 116.70 1xml h LEU 230 Ca -0.13 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xml h LEU 230 Cb 0.61 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xml h LEU 230 CO 0.17 -0.05 -0.04 0.03 -0.34 0.00 0.00 178.44 178.22 1xml h ARG 231 N 0.23 0.00 -0.01 1.25 2.47 -1.95 -1.98 114.38 114.39 1xml h ARG 231 Ca 0.70 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.42 1xml h ARG 231 Cb 2.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 1xml h ARG 231 CO -0.34 0.04 -0.21 -0.25 0.56 0.00 0.00 179.97 179.77 1xml n ASP 232 N -3.48 1.25 -4.71 7.04 8.00 -0.58 -4.42 116.55 119.66 1xml n ASP 232 Ca -0.02 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 1xml n ASP 232 Cb 0.15 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1xml n ASP 232 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xml s LEU 233 N -2.37 4.35 0.40 0.64 1.43 -0.75 -5.00 118.68 117.38 1xml s LEU 233 Ca 0.27 1.90 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1xml s LEU 233 Cb 0.20 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 1xml s LEU 233 CO 0.47 -0.46 0.12 0.42 0.23 0.00 0.00 176.35 177.14 1xml s THR 234 N 1.31 0.65 0.63 5.49 -4.23 -1.26 -4.55 115.64 113.68 1xml s THR 234 Ca 0.57 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.45 1xml s THR 234 Cb -0.27 -2.40 0.40 0.00 1.34 0.00 0.00 72.50 71.58 1xml s THR 234 CO 0.27 0.00 2.30 -0.65 -0.54 0.00 0.00 174.62 176.01 1xml h PRO 235 N 1.83 0.00 0.00 3.99 0.11 -1.87 -1.50 132.00 134.56 1xml h PRO 235 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xml h PRO 235 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xml h PRO 235 CO 0.58 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.42 1xml h GLU 236 N 0.00 0.00 -0.01 1.05 4.11 -1.97 -1.60 114.58 116.16 1xml h GLU 236 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xml h GLU 236 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xml h GLU 236 CO -0.00 0.00 -0.06 0.72 0.07 0.00 0.00 179.01 179.74 1xml n HIS 237 N -2.57 0.00 -0.15 2.06 8.25 -0.57 -4.44 115.22 117.80 1xml n HIS 237 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1xml n HIS 237 Cb 0.19 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.30 1xml n HIS 237 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xml h LEU 238 N 2.11 0.34 -0.65 2.41 3.38 -1.41 -1.29 115.31 120.21 1xml h LEU 238 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1xml h LEU 238 Cb 0.51 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1xml h LEU 238 CO 0.00 0.24 0.33 -0.65 0.09 0.00 0.00 178.44 178.45 1xml h PRO 239 N 0.46 0.58 -0.28 1.13 0.11 -1.81 -0.75 132.00 131.44 1xml h PRO 239 Ca 0.20 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xml h PRO 239 Cb 0.10 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1xml h PRO 239 CO -0.14 0.38 0.16 1.25 -0.21 0.00 0.00 178.00 179.45 1xml h LEU 240 N 0.60 0.34 -0.37 2.35 5.85 -1.69 -1.38 115.31 121.01 1xml h LEU 240 Ca 0.31 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1xml h LEU 240 Cb 0.27 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xml h LEU 240 CO -0.22 0.31 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.00 1xml h LEU 241 N 0.35 0.75 -1.08 2.25 3.38 -0.97 -1.27 115.31 118.71 1xml h LEU 241 Ca 0.10 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1xml h LEU 241 Cb 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1xml h LEU 241 CO -0.02 0.95 0.62 0.03 0.09 0.00 0.00 178.44 180.11 1xml h ARG 242 N 0.54 1.19 -0.19 1.13 3.08 -1.09 -1.43 114.38 117.61 1xml h ARG 242 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xml h ARG 242 Cb 0.63 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1xml h ARG 242 CO 0.04 0.79 0.06 -0.91 -1.07 0.00 0.00 179.97 178.88 1xml h ASN 243 N 1.22 0.27 -0.39 7.04 2.35 -0.81 -0.40 115.58 124.86 1xml h ASN 243 Ca 0.36 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1xml h ASN 243 Cb -0.05 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1xml h ASN 243 CO -0.10 0.40 0.19 0.40 -1.65 0.00 0.00 177.43 176.67 1xml h ILE 244 N 0.13 0.97 0.51 2.81 2.04 -1.01 0.32 117.51 123.28 1xml h ILE 244 Ca 0.06 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1xml h ILE 244 Cb 0.23 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1xml h ILE 244 CO -0.00 0.07 -0.24 0.25 0.00 0.00 0.00 178.15 178.22 1xml h LEU 245 N 0.39 -0.58 0.01 1.44 5.85 -1.12 -1.86 115.31 119.45 1xml h LEU 245 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xml h LEU 245 Cb 0.08 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xml h LEU 245 CO -0.12 -0.39 -0.01 0.45 -0.34 0.00 0.00 178.44 178.04 1xml h HIS 246 N -0.72 -0.01 0.00 1.25 3.86 -0.93 -2.56 115.15 116.03 1xml h HIS 246 Ca -0.07 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.02 1xml h HIS 246 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1xml h HIS 246 CO -0.03 0.76 -0.59 1.96 0.86 0.00 0.00 177.93 180.89 1xml h GLN 247 N -0.95 0.00 -0.06 2.45 4.20 -0.51 -1.02 115.11 119.21 1xml h GLN 247 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xml h GLN 247 Cb 0.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1xml h GLN 247 CO 0.00 0.59 0.02 0.78 -0.67 0.00 0.00 178.83 179.56 1xml h GLY 248 N 1.85 0.10 1.07 3.46 0.00 -1.27 -1.13 103.07 107.15 1xml h GLY 248 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 1xml h GLY 248 CO 0.08 0.05 0.07 1.46 0.00 0.00 0.00 176.54 178.20 1xml h GLN 249 N -0.06 1.09 -0.09 4.80 4.20 -1.23 -2.36 115.11 121.46 1xml h GLN 249 Ca 0.02 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 1xml h GLN 249 Cb 0.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1xml h GLN 249 CO -0.00 1.02 -0.30 0.93 -0.67 0.00 0.00 178.83 179.81 1xml h GLU 250 N 1.01 0.17 -0.29 1.46 3.07 -1.17 -0.90 114.58 117.93 1xml h GLU 250 Ca 0.19 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 1xml h GLU 250 Cb 0.49 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1xml h GLU 250 CO 0.02 0.46 -0.41 0.00 -1.40 0.00 0.00 179.01 177.69 1xml h ALA 251 N 1.54 0.74 -0.33 3.43 0.00 -0.97 -2.30 119.26 121.38 1xml h ALA 251 Ca 0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1xml h ALA 251 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xml h ALA 251 CO 0.04 0.66 -0.35 0.82 0.00 0.00 0.00 179.25 180.43 1xml h ILE 252 N 0.57 1.28 -0.77 0.00 2.04 -1.04 -1.02 117.51 118.57 1xml h ILE 252 Ca 0.05 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1xml h ILE 252 Cb 0.94 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1xml h ILE 252 CO 0.09 0.49 0.51 0.25 0.00 0.00 0.00 178.15 179.48 1xml h LEU 253 N 0.62 0.87 -0.05 1.44 5.85 -1.04 0.19 115.31 123.19 1xml h LEU 253 Ca 0.06 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1xml h LEU 253 Cb 0.88 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xml h LEU 253 CO 0.08 0.62 -0.10 -0.61 -0.34 0.00 0.00 178.44 178.09 1xml h GLN 254 N 1.02 0.16 0.03 1.25 -0.00 -1.24 -1.71 115.11 114.61 1xml h GLN 254 Ca 0.29 -0.10 -0.20 0.00 -0.00 0.00 0.00 58.65 58.64 1xml h GLN 254 Cb -0.08 0.01 0.02 0.00 0.00 0.00 0.00 27.48 27.43 1xml h GLN 254 CO -0.08 0.67 -0.82 -0.09 0.00 0.00 0.00 178.83 178.52 1xml h ARG 255 N -0.34 0.50 -0.02 1.69 9.65 -1.15 -3.37 114.38 121.34 1xml h ARG 255 Ca 0.00 -0.58 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 1xml h ARG 255 Cb 0.67 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 1xml h ARG 255 CO 0.02 1.21 0.00 0.66 2.80 0.00 0.00 179.97 184.66 1xml n TYR 256 N -4.06 0.01 -2.90 2.20 4.02 0.05 -5.00 117.16 111.48 1xml n TYR 256 Ca -0.11 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.90 57.54 1xml n TYR 256 Cb 0.78 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.11 1xml n TYR 256 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xml n ARG 257 N 0.34 -3.62 -3.77 -0.72 5.12 -0.64 -4.97 116.66 108.39 1xml n ARG 257 Ca 0.04 0.79 -0.36 0.00 -1.93 0.00 0.00 57.85 56.39 1xml n ARG 257 Cb 0.17 -5.55 -0.13 0.00 -1.16 0.00 0.00 32.46 25.79 1xml n ARG 257 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1xml s MET 258 N -5.55 3.64 0.66 5.56 1.75 -1.23 -4.98 119.30 119.14 1xml s MET 258 Ca 0.23 -0.49 -0.14 0.00 -1.25 0.00 0.00 55.69 54.04 1xml s MET 258 Cb -0.11 -3.30 0.00 0.00 2.84 0.00 0.00 34.83 34.26 1xml s MET 258 CO 0.28 -0.18 1.09 0.15 -0.65 0.00 0.00 175.02 175.70 1xml s LYS 259 N 1.58 2.86 0.38 4.11 1.02 -1.26 -3.44 119.74 124.99 1xml s LYS 259 Ca 0.06 1.25 0.09 0.00 0.02 0.00 0.00 55.97 57.39 1xml s LYS 259 Cb -0.15 -1.97 0.77 0.00 -0.52 0.00 0.00 37.83 35.96 1xml s LYS 259 CO 0.03 -1.18 1.91 0.78 -0.92 0.00 0.00 175.35 175.97 1xml h GLY 260 N -0.14 0.29 0.84 -3.33 0.00 -1.95 -1.84 103.07 96.93 1xml h GLY 260 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1xml h GLY 260 CO 0.55 0.16 0.00 2.09 0.00 0.00 0.00 176.54 179.34 1xml n ASP 261 N -4.28 0.00 -0.59 0.19 5.75 -1.26 -1.07 116.55 115.30 1xml n ASP 261 Ca -0.00 -0.88 0.13 0.00 -0.01 0.00 0.00 54.79 54.02 1xml n ASP 261 Cb 0.26 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.69 1xml n ASP 261 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xml n HIS 262 N -0.92 0.00 -4.67 2.11 8.25 -0.69 -4.99 115.22 114.31 1xml n HIS 262 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.31 1xml n HIS 262 Cb 0.07 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.03 1xml n HIS 262 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xml s LEU 263 N -2.11 2.33 -0.23 2.41 1.43 -0.23 -1.24 118.68 121.05 1xml s LEU 263 Ca 0.32 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1xml s LEU 263 Cb 0.20 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1xml s LEU 263 CO 0.37 0.23 0.04 -0.60 0.23 0.00 0.00 176.35 176.62 1xml s ARG 264 N -1.58 3.65 -0.23 1.70 3.52 0.56 -4.86 118.95 121.71 1xml s ARG 264 Ca 0.13 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1xml s ARG 264 Cb -0.10 -3.22 0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1xml s ARG 264 CO 0.04 -0.09 -0.14 0.08 -0.81 0.00 0.00 175.30 174.38 1xml s VAL 265 N 1.32 2.20 0.20 7.11 1.01 -1.26 -1.12 120.40 129.87 1xml s VAL 265 Ca 0.05 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 1xml s VAL 265 Cb -0.15 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1xml s VAL 265 CO 0.02 0.21 0.54 -0.72 0.00 0.00 0.00 175.10 175.16 1xml s TYR 266 N 1.20 -0.13 0.29 5.22 -0.85 -0.50 -0.95 117.35 121.64 1xml s TYR 266 Ca -0.03 -0.22 0.10 0.00 -0.52 0.00 0.00 57.07 56.41 1xml s TYR 266 Cb -0.17 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 1xml s TYR 266 CO -0.08 -0.94 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.43 1xml s LEU 267 N -2.88 2.93 0.03 -3.49 1.02 0.06 -0.22 118.68 116.12 1xml s LEU 267 Ca 0.09 -0.87 0.03 0.00 0.02 0.00 0.00 54.13 53.40 1xml s LEU 267 Cb -0.01 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.76 1xml s LEU 267 CO -0.02 -0.04 -0.01 -1.00 0.02 0.00 0.00 176.35 175.29 1xml s HIS 268 N -2.44 3.01 -0.12 0.29 3.76 -1.26 -0.24 115.29 118.29 1xml s HIS 268 Ca 0.32 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 55.21 1xml s HIS 268 Cb -0.04 -1.62 0.06 0.00 1.11 0.00 0.00 32.58 32.09 1xml s HIS 268 CO 0.18 0.45 0.18 -0.47 -0.85 0.00 0.00 174.74 174.23 1xml s TYR 269 N -1.13 -0.20 0.42 1.40 5.04 -0.87 -3.42 117.35 118.58 1xml s TYR 269 Ca 0.21 0.48 -0.25 0.00 -2.44 0.00 0.00 57.07 55.08 1xml s TYR 269 Cb -0.11 -0.29 -0.08 0.00 0.35 0.00 0.00 41.96 41.82 1xml s TYR 269 CO 0.12 -0.38 1.18 -0.51 -1.34 0.00 0.00 175.55 174.63 1xml s LEU 270 N 2.30 4.15 0.64 6.97 1.02 -1.26 -4.11 118.68 128.39 1xml s LEU 270 Ca 0.04 2.37 -0.08 0.00 0.02 0.00 0.00 54.13 56.48 1xml s LEU 270 Cb -0.13 -4.06 0.01 0.00 0.02 0.00 0.00 46.19 42.03 1xml s LEU 270 CO -0.08 -0.76 0.98 -2.16 0.02 0.00 0.00 176.35 174.36 1xml s PRO 271 N -2.39 2.86 0.37 1.29 0.04 -1.22 -5.00 135.00 130.95 1xml s PRO 271 Ca 0.59 0.16 0.20 0.00 0.04 0.00 0.00 61.00 61.99 1xml s PRO 271 Cb -0.31 -2.17 0.28 0.00 0.04 0.00 0.00 34.50 32.34 1xml s PRO 271 CO 0.39 -0.86 1.56 0.66 0.04 0.00 0.00 177.00 178.79 1xml h SER 272 N -0.38 0.00 -5.30 6.66 4.64 -2.00 -3.46 113.55 113.72 1xml h SER 272 Ca -0.45 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 1xml h SER 272 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 1xml h SER 272 CO 0.62 0.24 -0.49 -0.72 -0.87 0.00 0.00 176.83 175.61 1xml s TYR 273 N -3.14 0.53 -0.81 4.77 -0.85 -1.26 -5.10 117.35 111.50 1xml s TYR 273 Ca 0.05 -0.94 0.01 0.00 -0.52 0.00 0.00 57.07 55.67 1xml s TYR 273 Cb 0.07 -0.25 0.34 0.00 0.38 0.00 0.00 41.96 42.49 1xml s TYR 273 CO 0.70 -0.57 1.49 0.66 -1.52 0.00 0.00 175.55 176.31 1xml n TYR 274 N -0.10 3.29 -3.68 -3.49 4.02 -1.26 -4.80 117.16 111.14 1xml n TYR 274 Ca -0.09 -3.07 -0.16 0.00 -0.01 0.00 0.00 57.90 54.57 1xml n TYR 274 Cb 0.63 -0.86 -0.15 0.00 -0.02 0.00 0.00 39.34 38.93 1xml n TYR 274 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1xml s HIS 275 N -3.95 -0.18 -0.08 -0.72 2.46 -1.16 -4.36 115.29 107.30 1xml s HIS 275 Ca 0.45 0.59 -0.39 0.00 0.47 0.00 0.00 55.06 56.18 1xml s HIS 275 Cb 0.27 -0.22 -0.17 0.00 -0.13 0.00 0.00 32.58 32.33 1xml s HIS 275 CO -0.17 -0.25 1.48 -0.11 -2.47 0.00 0.00 174.74 173.22 1xml n LEU 276 N 5.10 1.79 -3.81 8.88 7.94 0.15 -4.94 117.00 132.11 1xml n LEU 276 Ca -0.09 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 55.79 1xml n LEU 276 Cb 0.50 -1.14 -0.12 0.00 0.53 0.00 0.00 43.42 43.20 1xml n LEU 276 CO 0.07 -0.87 -0.14 -1.38 -1.11 0.00 0.00 177.39 173.96 1xml s HIS 277 N 1.69 -0.17 -0.06 1.96 -3.43 -1.26 -3.28 115.29 110.73 1xml s HIS 277 Ca 0.91 0.41 0.05 0.00 -0.80 0.00 0.00 55.06 55.64 1xml s HIS 277 Cb -1.04 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 30.15 1xml s HIS 277 CO 0.56 -0.15 -0.23 0.08 -2.00 0.00 0.00 174.74 173.00 1xml s VAL 278 N -0.21 2.28 0.02 -5.38 1.01 -0.01 -4.65 120.40 113.46 1xml s VAL 278 Ca -0.03 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1xml s VAL 278 Cb -0.03 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1xml s VAL 278 CO 0.01 0.57 0.51 -1.00 0.00 0.00 0.00 175.10 175.18 1xml s HIS 279 N -0.26 3.74 -0.22 5.22 3.76 0.70 -0.51 115.29 127.73 1xml s HIS 279 Ca -0.00 1.14 0.02 0.00 -0.15 0.00 0.00 55.06 56.06 1xml s HIS 279 Cb -0.13 -2.44 0.04 0.00 1.11 0.00 0.00 32.58 31.16 1xml s HIS 279 CO 0.03 0.55 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.27 1xml s PHE 280 N -0.87 2.87 0.00 1.40 0.40 0.12 -1.40 117.98 120.49 1xml s PHE 280 Ca 0.27 -1.90 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 1xml s PHE 280 Cb -0.18 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.50 1xml s PHE 280 CO 0.16 -0.82 -0.01 0.95 0.70 0.00 0.00 175.22 176.20 1xml s THR 281 N 1.25 0.05 0.43 0.64 -4.23 -0.27 -0.75 115.64 112.76 1xml s THR 281 Ca -0.02 -0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.08 1xml s THR 281 Cb -0.17 -0.08 -0.10 0.00 1.34 0.00 0.00 72.50 73.50 1xml s THR 281 CO -0.09 -0.07 1.18 0.00 -0.54 0.00 0.00 174.62 175.11 1xml n ALA 282 N 2.84 0.91 -0.01 3.99 0.00 -0.56 -0.32 120.51 127.36 1xml n ALA 282 Ca -0.14 0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1xml n ALA 282 Cb 0.59 -2.21 0.36 0.00 0.00 0.00 0.00 19.45 18.19 1xml n ALA 282 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xml h LEU 283 N 1.84 0.50 0.00 0.00 5.85 -1.50 -2.87 115.31 119.13 1xml h LEU 283 Ca -0.47 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1xml h LEU 283 Cb 1.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1xml h LEU 283 CO 0.59 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.75 1xml n GLY 284 N -1.20 -0.85 0.00 3.75 0.00 -1.26 -5.08 105.19 100.54 1xml n GLY 284 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xml n GLY 284 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xml n PHE 285 N -1.06 0.00 0.00 1.61 -0.00 -1.08 -4.92 117.46 112.01 1xml n PHE 285 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1xml n PHE 285 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 1xml n PHE 285 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1xml n ARG 294 N 0.00 0.00 -3.43 -4.13 3.00 -1.25 -5.01 116.66 105.84 1xml n ARG 294 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1xml n ARG 294 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1xml n ARG 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xml s ALA 295 N -1.12 3.63 -0.09 5.13 0.00 -1.26 -2.05 121.76 125.99 1xml s ALA 295 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1xml s ALA 295 Cb 0.00 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.82 1xml s ALA 295 CO 0.00 0.45 0.04 -1.01 0.00 0.00 0.00 175.76 175.24 1xml s HIS 296 N -1.88 0.45 0.16 0.00 3.76 0.67 -4.96 115.29 113.49 1xml s HIS 296 Ca 0.45 -0.13 -0.31 0.00 -0.15 0.00 0.00 55.06 54.92 1xml s HIS 296 Cb -0.11 -0.71 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 1xml s HIS 296 CO 0.25 -0.34 1.45 -0.51 -0.85 0.00 0.00 174.74 174.74 1xml s LEU 297 N 2.04 4.38 0.25 0.89 1.43 -1.26 -0.77 118.68 125.65 1xml s LEU 297 Ca 0.04 2.49 -0.05 0.00 -1.03 0.00 0.00 54.13 55.57 1xml s LEU 297 Cb -0.13 -3.60 0.28 0.00 0.03 0.00 0.00 46.19 42.77 1xml s LEU 297 CO -0.05 -0.71 1.92 0.25 0.23 0.00 0.00 176.35 177.98 1xml h LEU 298 N 6.37 1.11 -1.22 1.79 6.46 -1.38 -0.40 115.31 128.05 1xml h LEU 298 Ca -0.43 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1xml h LEU 298 Cb 1.21 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 1xml h LEU 298 CO 0.86 0.83 0.25 0.00 -0.62 0.00 0.00 178.44 179.76 1xml h ALA 299 N 1.36 1.39 -0.07 1.25 0.00 -1.91 -1.22 119.26 120.07 1xml h ALA 299 Ca 0.34 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 1xml h ALA 299 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1xml h ALA 299 CO -0.07 0.47 -0.83 0.93 0.00 0.00 0.00 179.25 179.75 1xml h GLU 300 N 0.79 0.53 -0.65 0.00 5.08 -1.67 -2.56 114.58 116.10 1xml h GLU 300 Ca 0.19 -0.48 0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1xml h GLU 300 Cb 0.12 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1xml h GLU 300 CO -0.02 1.11 0.35 0.28 -1.00 0.00 0.00 179.01 179.73 1xml h VAL 301 N 0.34 0.95 -0.05 3.13 2.07 -0.67 -0.04 116.25 121.98 1xml h VAL 301 Ca -0.06 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xml h VAL 301 Cb 1.45 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1xml h VAL 301 CO 0.15 0.12 0.03 0.40 0.02 0.00 0.00 177.57 178.29 1xml h ILE 302 N 0.65 1.06 -0.27 4.57 2.04 -1.21 -2.35 117.51 121.99 1xml h ILE 302 Ca 0.29 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.91 1xml h ILE 302 Cb 0.20 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1xml h ILE 302 CO -0.19 0.05 -0.17 -0.33 0.00 0.00 0.00 178.15 177.51 1xml h GLU 303 N 0.01 0.47 -0.65 2.37 5.08 -1.14 -1.66 114.58 119.06 1xml h GLU 303 Ca 0.02 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1xml h GLU 303 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1xml h GLU 303 CO -0.00 0.63 0.43 -0.91 -1.00 0.00 0.00 179.01 178.16 1xml h ASN 304 N 0.43 0.74 -0.35 1.42 2.35 -0.84 -1.63 115.58 117.70 1xml h ASN 304 Ca 0.07 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1xml h ASN 304 Cb 0.55 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1xml h ASN 304 CO 0.04 0.53 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.13 1xml h LEU 305 N 0.87 0.81 -1.18 1.61 3.38 -0.97 0.17 115.31 120.00 1xml h LEU 305 Ca 0.24 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1xml h LEU 305 Cb -0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1xml h LEU 305 CO -0.06 0.96 -0.10 -0.33 0.09 0.00 0.00 178.44 179.00 1xml h GLU 306 N 0.72 0.45 0.09 1.13 5.08 -1.06 -3.19 114.58 117.79 1xml h GLU 306 Ca 0.11 -0.12 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1xml h GLU 306 Cb 0.65 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1xml h GLU 306 CO 0.05 0.56 -1.70 0.00 -1.00 0.00 0.00 179.01 176.91 1xml s ASP 308 N -6.75 2.06 0.45 0.00 2.15 0.56 -5.03 116.67 110.10 1xml s ASP 308 Ca -0.11 -1.37 0.19 0.00 0.43 0.00 0.00 52.55 51.69 1xml s ASP 308 Cb 0.07 0.22 1.15 0.00 -0.30 0.00 0.00 42.92 44.06 1xml s ASP 308 CO 0.82 -0.34 1.89 -0.65 -0.17 0.00 0.00 175.17 176.72 1xml h PRO 309 N 7.67 0.31 -0.66 4.34 0.11 -1.76 -1.85 132.00 140.16 1xml h PRO 309 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xml h PRO 309 Cb 1.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1xml h PRO 309 CO 0.30 0.21 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 1xml n ARG 310 N -4.46 3.07 -0.17 1.05 1.74 -1.26 -4.35 116.66 112.28 1xml n ARG 310 Ca 0.17 -2.51 -0.04 0.00 -0.77 0.00 0.00 57.85 54.70 1xml n ARG 310 Cb 0.66 -1.70 0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1xml n ARG 310 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1xml h HIS 311 N 3.80 -0.64 -0.00 -1.55 2.76 -1.64 -0.59 115.15 117.29 1xml h HIS 311 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1xml h HIS 311 Cb 1.14 0.36 0.00 0.00 1.55 0.00 0.00 27.41 30.46 1xml h HIS 311 CO 0.59 -0.33 -0.11 0.66 -1.30 0.00 0.00 177.93 177.44 1xml n TYR 312 N -5.42 0.00 -0.00 5.26 4.02 -1.26 -1.10 117.16 118.65 1xml n TYR 312 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1xml n TYR 312 Cb 0.33 -0.35 -0.11 0.00 -0.02 0.00 0.00 39.34 39.20 1xml n TYR 312 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xml n GLN 313 N -1.34 0.64 -0.11 -0.72 3.00 -0.63 -4.62 117.38 113.61 1xml n GLN 313 Ca 0.10 0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 57.08 1xml n GLN 313 Cb 0.31 -1.71 -0.13 0.00 0.00 0.00 0.00 30.24 28.71 1xml n GLN 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1xml n GLN 314 N -2.79 0.76 -1.94 -1.09 6.02 -0.32 -4.39 117.38 113.62 1xml n GLN 314 Ca -0.14 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.62 1xml n GLN 314 Cb 0.88 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.69 1xml n GLN 314 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xml s ARG 315 N -2.47 3.23 -0.05 -1.09 1.81 -0.26 -3.82 118.95 116.30 1xml s ARG 315 Ca -0.22 0.56 -0.19 0.00 -1.72 0.00 0.00 55.73 54.16 1xml s ARG 315 Cb 0.07 -2.08 -0.05 0.00 -0.45 0.00 0.00 34.95 32.44 1xml s ARG 315 CO 0.65 -0.77 0.53 0.99 -0.68 0.00 0.00 175.30 176.01 1xml s THR 316 N -3.23 5.04 -0.01 0.02 2.01 -1.26 -3.68 115.64 114.53 1xml s THR 316 Ca 0.56 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1xml s THR 316 Cb -0.11 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1xml s THR 316 CO 0.52 0.40 0.04 -0.04 -0.69 0.00 0.00 174.62 174.85 1xml s MET 317 N 0.06 2.93 -0.10 4.92 -1.94 -0.04 -4.92 119.30 120.21 1xml s MET 317 Ca 0.28 -0.54 0.04 0.00 -1.71 0.00 0.00 55.69 53.76 1xml s MET 317 Cb -0.17 -2.77 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 1xml s MET 317 CO 0.14 0.64 -0.22 0.99 -0.01 0.00 0.00 175.02 176.56 1xml s THR 318 N -1.13 2.27 0.23 2.05 2.01 -1.26 0.04 115.64 119.84 1xml s THR 318 Ca 0.21 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 1xml s THR 318 Cb -0.12 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1xml s THR 318 CO 0.11 0.56 0.53 0.72 -0.69 0.00 0.00 174.62 175.85 1xml s PHE 319 N 0.22 0.05 -0.09 4.92 -0.12 -0.64 -3.87 117.98 118.46 1xml s PHE 319 Ca -0.14 -0.42 -0.05 0.00 -0.05 0.00 0.00 56.93 56.27 1xml s PHE 319 Cb -0.17 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1xml s PHE 319 CO 0.07 -0.99 0.11 0.00 -0.05 0.00 0.00 175.22 174.36 1xml s ALA 320 N -3.93 3.75 0.15 1.99 0.00 -1.26 -0.58 121.76 121.88 1xml s ALA 320 Ca 0.14 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1xml s ALA 320 Cb -0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1xml s ALA 320 CO 0.03 0.64 -0.17 -0.51 0.00 0.00 0.00 175.76 175.75 1xml s LEU 321 N -1.20 2.43 0.51 0.00 1.43 -0.32 -4.89 118.68 116.64 1xml s LEU 321 Ca 0.17 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 52.19 1xml s LEU 321 Cb -0.12 -0.75 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1xml s LEU 321 CO 0.07 -0.07 1.39 -0.13 0.23 0.00 0.00 176.35 177.84 1xml s ARG 322 N -2.77 3.32 0.50 1.70 0.52 -1.26 -0.53 118.95 120.44 1xml s ARG 322 Ca 0.14 2.32 0.15 0.00 -0.52 0.00 0.00 55.73 57.82 1xml s ARG 322 Cb -0.05 -2.40 1.20 0.00 0.52 0.00 0.00 34.95 34.22 1xml s ARG 322 CO 0.06 -1.07 2.12 0.00 0.02 0.00 0.00 175.30 176.42 1xml h ALA 323 N 1.76 1.93 -0.20 2.13 0.00 -1.19 -1.48 119.26 122.21 1xml h ALA 323 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xml h ALA 323 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xml h ALA 323 CO 0.59 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1xml n ASP 324 N -4.50 2.24 -4.68 0.00 3.85 -1.26 -4.84 116.55 107.36 1xml n ASP 324 Ca -0.03 -1.79 -0.42 0.00 -0.71 0.00 0.00 54.79 51.84 1xml n ASP 324 Cb 0.12 -0.13 -0.03 0.00 -1.35 0.00 0.00 41.12 39.73 1xml n ASP 324 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1xml s ASP 325 N -1.62 6.56 0.35 -1.12 3.68 -0.56 -4.90 116.67 119.06 1xml s ASP 325 Ca 0.34 2.51 0.08 0.00 2.13 0.00 0.00 52.55 57.61 1xml s ASP 325 Cb 0.19 -2.55 0.79 0.00 -1.45 0.00 0.00 42.92 39.90 1xml s ASP 325 CO 0.29 -0.94 1.87 -0.65 0.13 0.00 0.00 175.17 175.86 1xml h PRO 326 N 9.00 0.71 -0.90 4.34 0.11 -1.91 -0.86 132.00 142.48 1xml h PRO 326 Ca -0.44 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1xml h PRO 326 Cb 1.21 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 1xml h PRO 326 CO 0.94 0.47 0.56 1.25 -0.21 0.00 0.00 178.00 181.00 1xml h LEU 327 N 0.73 0.84 -0.09 2.35 5.85 -1.96 -1.50 115.31 121.53 1xml h LEU 327 Ca 0.45 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.22 1xml h LEU 327 Cb 0.68 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1xml h LEU 327 CO -0.21 0.50 -0.02 0.25 -0.34 0.00 0.00 178.44 178.62 1xml h LEU 328 N 0.96 -0.09 -0.78 2.25 5.85 -1.47 -0.65 115.31 121.39 1xml h LEU 328 Ca 0.42 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1xml h LEU 328 Cb 0.30 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1xml h LEU 328 CO -0.22 -0.03 0.50 0.50 -0.34 0.00 0.00 178.44 178.85 1xml h LYS 329 N -0.00 0.96 -0.82 1.25 1.63 -1.36 -0.75 116.57 117.48 1xml h LYS 329 Ca 0.04 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1xml h LYS 329 Cb 0.07 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 1xml h LYS 329 CO -0.09 0.64 0.35 -0.07 -3.45 0.00 0.00 179.45 176.82 1xml h LEU 330 N 0.99 1.11 -0.07 5.20 3.38 -0.74 -1.60 115.31 123.58 1xml h LEU 330 Ca 0.30 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 1xml h LEU 330 Cb -0.03 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.44 1xml h LEU 330 CO -0.09 0.97 -1.02 -0.07 0.09 0.00 0.00 178.44 178.32 1xml h LEU 331 N 1.18 0.71 -0.69 1.67 3.38 -0.82 -2.60 115.31 118.14 1xml h LEU 331 Ca 0.28 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1xml h LEU 331 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1xml h LEU 331 CO -0.03 1.38 0.22 1.56 0.09 0.00 0.00 178.44 181.66 1xml h GLN 332 N 0.29 1.07 -0.53 1.13 4.20 -1.00 -1.98 115.11 118.31 1xml h GLN 332 Ca -0.11 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 1xml h GLN 332 Cb 1.66 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1xml h GLN 332 CO 0.19 0.93 -0.00 0.93 -0.67 0.00 0.00 178.83 180.20 1xml h GLU 333 N 1.01 0.94 -0.76 1.46 5.08 -1.31 -1.30 114.58 119.70 1xml h GLU 333 Ca 0.22 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xml h GLU 333 Cb 0.30 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1xml h GLU 333 CO -0.01 0.95 0.46 0.00 -1.00 0.00 0.00 179.01 179.41 1xml h ALA 334 N 0.95 1.37 0.00 3.43 0.00 -1.37 -3.03 119.26 120.61 1xml h ALA 334 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xml h ALA 334 Cb 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xml h ALA 334 CO 0.03 0.54 -0.43 1.96 0.00 0.00 0.00 179.25 181.35 1xml h GLN 335 N 1.05 0.00 -0.03 0.00 4.20 -1.04 -3.52 115.11 115.78 1xml h GLN 335 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1xml h GLN 335 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1xml h GLN 335 CO -0.05 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.11