#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtl s PHE 41 N 0.00 3.69 0.00 0.00 0.40 -1.26 -4.60 117.98 116.21 1xtl s PHE 41 Ca 0.00 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 1xtl s PHE 41 Cb 0.00 -3.17 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1xtl s PHE 41 CO 0.00 -0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.11 1xtl n GLY 42 N 2.32 3.86 3.57 4.36 0.00 -0.61 -4.87 105.19 113.81 1xtl n GLY 42 Ca 0.03 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1xtl n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtl n HIS 43 N 0.00 -2.05 -1.76 1.61 8.25 -1.26 -1.25 115.22 118.75 1xtl n HIS 43 Ca 0.00 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 57.87 1xtl n HIS 43 Cb 0.00 -4.43 -0.03 0.00 1.12 0.00 0.00 29.99 26.65 1xtl n HIS 43 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xtl s HIS 44 N -3.54 2.87 -0.12 4.41 2.46 -1.26 -4.49 115.29 115.62 1xtl s HIS 44 Ca 0.11 0.51 0.02 0.00 0.47 0.00 0.00 55.06 56.18 1xtl s HIS 44 Cb -0.03 -4.10 0.01 0.00 -0.13 0.00 0.00 32.58 28.34 1xtl s HIS 44 CO 0.79 -4.00 -0.18 0.14 -2.47 0.00 0.00 174.74 169.02 1xtl s VAL 45 N 0.77 1.70 0.31 0.89 -7.23 0.12 -4.99 120.40 111.98 1xtl s VAL 45 Ca 0.70 -0.77 -0.23 0.00 -1.81 0.00 0.00 61.98 59.87 1xtl s VAL 45 Cb -0.49 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1xtl s VAL 45 CO 0.37 0.48 0.88 -1.58 -0.31 0.00 0.00 175.10 174.94 1xtl s GLN 46 N 0.91 4.43 -0.11 4.82 0.74 -1.26 -0.19 119.66 129.01 1xtl s GLN 46 Ca -0.07 1.15 0.00 0.00 0.05 0.00 0.00 55.36 56.49 1xtl s GLN 46 Cb -0.15 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.19 1xtl s GLN 46 CO -0.01 0.28 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.39 1xtl s LEU 47 N -2.18 2.90 0.24 3.68 1.43 -1.06 -4.16 118.68 119.53 1xtl s LEU 47 Ca 0.49 -0.21 0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1xtl s LEU 47 Cb -0.17 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1xtl s LEU 47 CO 0.22 0.24 -0.21 0.68 0.23 0.00 0.00 176.35 177.51 1xtl s VAL 48 N -0.09 2.38 0.35 -1.59 -7.23 -0.84 -1.69 120.40 111.69 1xtl s VAL 48 Ca -0.01 -2.25 -0.01 0.00 -1.81 0.00 0.00 61.98 57.91 1xtl s VAL 48 Cb -0.14 -2.21 0.07 0.00 0.56 0.00 0.00 36.38 34.67 1xtl s VAL 48 CO 0.03 -0.30 0.48 -0.46 -0.31 0.00 0.00 175.10 174.54 1xtl n ASN 49 N -0.26 0.59 0.32 4.85 0.23 -0.47 -2.22 115.26 118.30 1xtl n ASN 49 Ca -0.08 -1.51 0.18 0.00 -0.53 0.00 0.00 54.58 52.64 1xtl n ASN 49 Cb 0.58 -0.32 0.95 0.00 -2.08 0.00 0.00 39.78 38.92 1xtl n ASN 49 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1xtl h ARG 50 N 0.00 0.00 -0.15 -3.83 3.08 -1.80 -1.26 114.38 110.42 1xtl h ARG 50 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1xtl h ARG 50 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1xtl h ARG 50 CO 0.16 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.45 1xtl n GLU 51 N -2.90 2.01 -0.24 0.04 4.71 -1.26 -4.66 120.64 118.34 1xtl n GLU 51 Ca -0.02 -1.50 0.00 0.00 -0.01 0.00 0.00 57.16 55.63 1xtl n GLU 51 Cb 0.24 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1xtl n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xtl n GLY 52 N 1.27 1.92 3.72 0.62 0.00 -0.47 -5.01 105.19 107.24 1xtl n GLY 52 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xtl n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtl s LYS 53 N -0.21 4.25 0.22 1.61 2.20 -1.26 -4.70 119.74 121.85 1xtl s LYS 53 Ca 0.00 2.28 -0.32 0.00 -0.36 0.00 0.00 55.97 57.57 1xtl s LYS 53 Cb 0.00 -3.17 -0.13 0.00 -1.51 0.00 0.00 37.83 33.02 1xtl s LYS 53 CO 0.00 -0.54 1.56 0.00 -0.36 0.00 0.00 175.35 176.01 1xtl n ALA 54 N 3.78 1.87 -2.07 3.13 0.00 -1.26 -1.37 120.51 124.59 1xtl n ALA 54 Ca 0.12 0.41 0.03 0.00 0.00 0.00 0.00 53.44 54.01 1xtl n ALA 54 Cb 0.40 -2.39 0.04 0.00 0.00 0.00 0.00 19.45 17.50 1xtl n ALA 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xtl n VAL 55 N 2.79 0.40 0.00 0.00 0.24 -0.68 -4.90 118.33 116.18 1xtl n VAL 55 Ca 0.13 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1xtl n VAL 55 Cb 0.33 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1xtl n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtl n GLY 56 N -0.05 0.31 3.77 7.63 0.00 -1.26 -1.79 105.19 113.81 1xtl n GLY 56 Ca 0.06 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 1xtl n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xtl s PHE 57 N -0.11 -0.01 -0.01 1.61 -0.71 -0.37 -2.56 117.98 115.81 1xtl s PHE 57 Ca 0.00 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1xtl s PHE 57 Cb 0.00 0.54 -0.00 0.00 -1.21 0.00 0.00 43.02 42.35 1xtl s PHE 57 CO 0.00 -1.16 -0.07 0.42 -1.34 0.00 0.00 175.22 173.08 1xtl s ILE 58 N -3.95 0.55 0.16 -4.49 1.01 0.73 -1.37 121.20 113.84 1xtl s ILE 58 Ca 0.15 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1xtl s ILE 58 Cb -0.04 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1xtl s ILE 58 CO 0.08 0.17 -0.16 -1.61 0.00 0.00 0.00 174.94 173.41 1xtl s GLU 59 N -0.01 1.20 -0.03 2.79 2.02 0.31 -0.70 118.70 124.28 1xtl s GLU 59 Ca 0.01 -1.39 0.02 0.00 0.02 0.00 0.00 54.97 53.63 1xtl s GLU 59 Cb -0.04 -1.14 0.01 0.00 0.10 0.00 0.00 34.13 33.06 1xtl s GLU 59 CO -0.00 0.22 -0.08 0.42 0.02 0.00 0.00 175.26 175.83 1xtl s ILE 60 N -2.30 0.75 -0.14 -1.63 1.01 -0.38 -0.99 121.20 117.52 1xtl s ILE 60 Ca 0.15 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1xtl s ILE 60 Cb -0.04 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.75 1xtl s ILE 60 CO 0.05 0.24 -0.21 -0.75 0.00 0.00 0.00 174.94 174.28 1xtl s LYS 61 N 0.30 3.05 -0.49 2.79 2.20 -0.53 -1.58 119.74 125.48 1xtl s LYS 61 Ca -0.05 -0.84 -0.27 0.00 -0.36 0.00 0.00 55.97 54.46 1xtl s LYS 61 Cb -0.09 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1xtl s LYS 61 CO 0.01 -0.02 2.12 -1.21 -0.36 0.00 0.00 175.35 175.89 1xtl s GLU 62 N 0.83 2.54 0.10 4.03 2.02 -1.26 -1.56 118.70 125.39 1xtl s GLU 62 Ca -0.06 1.19 -0.30 0.00 0.02 0.00 0.00 54.97 55.82 1xtl s GLU 62 Cb -0.15 -4.45 -0.06 0.00 0.10 0.00 0.00 34.13 29.57 1xtl s GLU 62 CO -0.02 -2.80 1.06 0.45 0.02 0.00 0.00 175.26 173.97 1xtl s SER 63 N 9.63 7.31 -0.14 -0.19 0.15 0.58 -4.96 113.70 126.08 1xtl s SER 63 Ca 0.85 1.90 -0.02 0.00 0.70 0.00 0.00 55.95 59.38 1xtl s SER 63 Cb -0.18 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 1xtl s SER 63 CO 0.26 -0.24 -0.09 -1.81 1.20 0.00 0.00 173.24 172.56 1xtl s ASP 64 N 0.41 4.31 0.18 5.45 -0.00 -1.26 -3.73 116.67 122.02 1xtl s ASP 64 Ca 0.51 -0.26 0.02 0.00 -0.00 0.00 0.00 52.55 52.82 1xtl s ASP 64 Cb -0.26 -1.68 -0.05 0.00 -0.00 0.00 0.00 42.92 40.94 1xtl s ASP 64 CO 0.31 0.16 0.02 1.51 -0.00 0.00 0.00 175.17 177.16 1xtl s ASP 65 N 0.41 1.14 0.00 0.27 -4.77 -1.26 -5.03 116.67 107.44 1xtl s ASP 65 Ca -0.08 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 47.97 1xtl s ASP 65 Cb -0.15 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.82 1xtl s ASP 65 CO 0.04 -0.60 0.00 -1.84 0.70 0.00 0.00 175.17 173.47 1xtl n GLU 66 N -0.26 0.66 0.00 2.11 0.28 -1.26 -5.11 120.64 117.06 1xtl n GLU 66 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1xtl n GLU 66 Cb 0.64 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.51 1xtl n GLU 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xtl n GLY 67 N 0.89 1.09 3.26 -1.84 0.00 -1.24 -4.51 105.19 102.83 1xtl n GLY 67 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1xtl n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xtl s LEU 68 N 0.00 2.11 -0.04 0.99 1.43 -0.44 -0.31 118.68 122.43 1xtl s LEU 68 Ca 0.00 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 1xtl s LEU 68 Cb 0.00 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1xtl s LEU 68 CO 0.00 0.22 0.46 -1.81 0.23 0.00 0.00 176.35 175.45 1xtl s ASP 69 N -0.02 6.80 -0.30 2.29 1.01 -0.60 -0.20 116.67 125.65 1xtl s ASP 69 Ca -0.08 0.95 0.01 0.00 0.71 0.00 0.00 52.55 54.13 1xtl s ASP 69 Cb -0.15 -2.28 0.09 0.00 1.01 0.00 0.00 42.92 41.59 1xtl s ASP 69 CO 0.05 0.19 0.06 -0.63 0.21 0.00 0.00 175.17 175.05 1xtl s ILE 70 N -0.41 1.32 -0.27 0.77 1.01 0.62 -1.46 121.20 122.80 1xtl s ILE 70 Ca 0.25 -1.57 -0.24 0.00 0.00 0.00 0.00 60.65 59.09 1xtl s ILE 70 Cb -0.16 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 1xtl s ILE 70 CO 0.13 -0.54 0.82 -2.28 0.00 0.00 0.00 174.94 173.07 1xtl s HIS 71 N 1.41 3.27 -0.22 3.97 5.65 -0.16 -1.02 115.29 128.18 1xtl s HIS 71 Ca 0.07 1.03 0.02 0.00 0.25 0.00 0.00 55.06 56.43 1xtl s HIS 71 Cb -0.18 -3.12 0.04 0.00 -1.18 0.00 0.00 32.58 28.15 1xtl s HIS 71 CO -0.17 -0.46 -0.13 -1.50 -0.65 0.00 0.00 174.74 171.83 1xtl s ILE 72 N 2.90 1.99 -0.24 0.89 2.07 0.00 -0.53 121.20 128.27 1xtl s ILE 72 Ca 0.34 -1.28 0.02 0.00 -1.41 0.00 0.00 60.65 58.33 1xtl s ILE 72 Cb -0.15 -2.01 0.06 0.00 0.13 0.00 0.00 42.46 40.49 1xtl s ILE 72 CO 0.09 0.18 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.66 1xtl s SER 73 N 1.24 4.13 0.08 4.50 0.15 -0.47 -1.55 113.70 121.77 1xtl s SER 73 Ca -0.03 -1.27 0.03 0.00 0.70 0.00 0.00 55.95 55.39 1xtl s SER 73 Cb -0.17 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.71 1xtl s SER 73 CO -0.08 -0.20 -0.10 0.00 1.20 0.00 0.00 173.24 174.06 1xtl s ALA 74 N 1.23 0.96 0.31 5.45 0.00 0.47 -1.24 121.76 128.95 1xtl s ALA 74 Ca -0.07 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1xtl s ALA 74 Cb -0.19 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1xtl s ALA 74 CO -0.06 0.00 0.14 0.27 0.00 0.00 0.00 175.76 176.11 1xtl n ASN 75 N 0.94 0.82 -1.65 0.00 6.94 -0.74 -1.06 115.26 120.51 1xtl n ASN 75 Ca -0.19 -2.74 -0.14 0.00 -0.02 0.00 0.00 54.58 51.49 1xtl n ASN 75 Cb 0.56 0.93 -0.00 0.00 -2.36 0.00 0.00 39.78 38.91 1xtl n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1xtl n SER 76 N -1.70 -4.29 -4.79 0.53 7.64 -1.14 -4.87 113.62 105.00 1xtl n SER 76 Ca -0.02 -0.04 -0.23 0.00 1.01 0.00 0.00 58.87 59.59 1xtl n SER 76 Cb 0.49 -3.42 -0.06 0.00 -1.01 0.00 0.00 64.21 60.21 1xtl n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xtl s LEU 77 N -4.05 3.24 -0.20 -3.43 1.43 -0.91 -5.06 118.68 109.70 1xtl s LEU 77 Ca 0.03 -0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 1xtl s LEU 77 Cb -0.01 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1xtl s LEU 77 CO 0.04 -0.56 1.31 -0.60 0.23 0.00 0.00 176.35 176.77 1xtl s ARG 78 N -3.98 4.12 0.16 1.70 3.52 -1.26 -4.36 118.95 118.84 1xtl s ARG 78 Ca 0.43 1.56 -0.33 0.00 -0.13 0.00 0.00 55.73 57.27 1xtl s ARG 78 Cb 0.01 -3.82 -0.13 0.00 -1.56 0.00 0.00 34.95 29.45 1xtl s ARG 78 CO 0.25 -0.86 1.66 -2.30 -0.81 0.00 0.00 175.30 173.23 1xtl n PRO 79 N 6.89 2.39 -0.08 5.12 -0.02 -1.26 -2.05 135.00 145.97 1xtl n PRO 79 Ca 0.15 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1xtl n PRO 79 Cb 0.45 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1xtl n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xtl n GLY 80 N 3.69 2.08 3.76 -1.23 0.00 -0.13 -4.91 105.19 108.44 1xtl n GLY 80 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1xtl n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtl s ALA 81 N -2.83 2.89 -0.18 4.61 0.00 -0.87 -4.68 121.76 120.71 1xtl s ALA 81 Ca 0.00 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 1xtl s ALA 81 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1xtl s ALA 81 CO 0.00 -1.11 0.34 -1.12 0.00 0.00 0.00 175.76 173.87 1xtl s SER 82 N -1.08 6.44 0.08 0.00 0.01 -1.26 -1.65 113.70 116.24 1xtl s SER 82 Ca 0.68 0.51 0.09 0.00 1.31 0.00 0.00 55.95 58.54 1xtl s SER 82 Cb -0.36 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1xtl s SER 82 CO 0.43 0.02 -0.23 -0.76 0.41 0.00 0.00 173.24 173.11 1xtl s LEU 83 N 0.86 2.24 0.66 2.44 1.43 -0.54 -2.08 118.68 123.68 1xtl s LEU 83 Ca 0.18 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1xtl s LEU 83 Cb -0.14 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1xtl s LEU 83 CO 0.06 0.16 1.01 -0.83 0.23 0.00 0.00 176.35 176.98 1xtl s GLY 84 N -1.60 1.62 -0.30 -3.19 0.00 -0.60 -1.01 107.32 102.24 1xtl s GLY 84 Ca 0.10 -0.51 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1xtl s GLY 84 CO 0.03 -0.18 0.65 -0.12 0.00 0.00 0.00 173.10 173.49 1xtl s PHE 85 N -3.20 -1.37 -0.02 1.90 5.36 -1.26 -0.82 117.98 118.58 1xtl s PHE 85 Ca 0.56 2.20 -0.11 0.00 -0.96 0.00 0.00 56.93 58.63 1xtl s PHE 85 Cb -0.11 0.76 0.01 0.00 -0.34 0.00 0.00 43.02 43.35 1xtl s PHE 85 CO 0.49 -0.69 0.23 -1.01 -1.46 0.00 0.00 175.22 172.77 1xtl s HIS 86 N 2.88 -0.10 -0.24 10.12 3.76 -1.12 -2.98 115.29 127.61 1xtl s HIS 86 Ca -0.02 0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.82 1xtl s HIS 86 Cb -0.12 0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.59 1xtl s HIS 86 CO -0.19 -0.31 0.73 0.42 -0.85 0.00 0.00 174.74 174.54 1xtl s ILE 87 N -1.14 4.91 0.42 0.60 1.01 -0.29 -1.97 121.20 124.74 1xtl s ILE 87 Ca -0.12 1.36 0.02 0.00 0.00 0.00 0.00 60.65 61.91 1xtl s ILE 87 Cb -0.06 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 1xtl s ILE 87 CO 0.03 -0.02 0.61 -0.31 0.00 0.00 0.00 174.94 175.25 1xtl s TYR 88 N 2.64 3.16 -1.95 3.97 2.02 0.30 -0.72 117.35 126.77 1xtl s TYR 88 Ca 0.31 0.07 0.26 0.00 -0.37 0.00 0.00 57.07 57.34 1xtl s TYR 88 Cb -0.15 -2.24 0.75 0.00 -0.40 0.00 0.00 41.96 39.91 1xtl s TYR 88 CO 0.08 -0.28 1.56 -0.85 -1.57 0.00 0.00 175.55 174.49 1xtl n GLU 89 N -1.96 1.06 -4.06 -0.62 0.28 0.38 -2.43 120.64 113.29 1xtl n GLU 89 Ca 0.01 -0.66 -0.13 0.00 -0.16 0.00 0.00 57.16 56.22 1xtl n GLU 89 Cb 0.58 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.84 1xtl n GLU 89 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1xtl s LYS 90 N -2.39 0.42 -1.06 3.44 2.20 -1.25 -4.60 119.74 116.49 1xtl s LYS 90 Ca 0.27 -0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.34 1xtl s LYS 90 Cb 0.20 -0.25 0.30 0.00 -1.51 0.00 0.00 37.83 36.56 1xtl s LYS 90 CO 0.48 0.05 1.32 0.41 -0.36 0.00 0.00 175.35 177.26 1xtl n GLY 91 N 2.10 4.86 3.48 5.54 0.00 -0.47 -3.19 105.19 117.50 1xtl n GLY 91 Ca -0.19 -2.65 -0.08 0.00 0.00 0.00 0.00 46.02 43.11 1xtl n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtl s SER 92 N -0.90 -0.76 -0.55 1.61 0.15 -1.26 -4.80 113.70 107.19 1xtl s SER 92 Ca 0.31 1.26 0.04 0.00 0.70 0.00 0.00 55.95 58.26 1xtl s SER 92 Cb 0.01 1.25 0.17 0.00 -1.71 0.00 0.00 66.02 65.74 1xtl s SER 92 CO 0.04 -0.22 0.41 0.00 1.20 0.00 0.00 173.24 174.67 1xtl s VAL 94 N -0.62 5.33 0.50 0.00 1.01 -1.22 -4.97 120.40 120.43 1xtl s VAL 94 Ca 0.29 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 1xtl s VAL 94 Cb -0.01 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1xtl s VAL 94 CO -0.18 0.33 1.17 -0.13 0.00 0.00 0.00 175.10 176.29 1xtl s ARG 95 N 1.07 3.53 -0.01 2.72 0.52 -1.26 -2.20 118.95 123.33 1xtl s ARG 95 Ca 0.10 1.75 0.20 0.00 -0.52 0.00 0.00 55.73 57.26 1xtl s ARG 95 Cb -0.14 -2.23 -0.25 0.00 0.52 0.00 0.00 34.95 32.86 1xtl s ARG 95 CO 0.05 -0.73 0.77 -0.35 0.02 0.00 0.00 175.30 175.06 1xtl n PRO 96 N -0.87 0.36 0.00 3.54 -0.04 -1.26 -4.85 135.00 131.88 1xtl n PRO 96 Ca 0.09 -0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.57 1xtl n PRO 96 Cb 0.49 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1xtl n PRO 96 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xtl n ASP 97 N -1.65 1.63 -3.04 3.54 8.00 -1.25 -4.64 116.55 119.15 1xtl n ASP 97 Ca 0.02 -1.32 -0.22 0.00 0.71 0.00 0.00 54.79 53.99 1xtl n ASP 97 Cb 0.37 0.31 0.05 0.00 -0.02 0.00 0.00 41.12 41.82 1xtl n ASP 97 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xtl n PHE 98 N 0.13 -2.15 0.19 1.24 3.72 -0.94 -4.51 117.46 115.14 1xtl n PHE 98 Ca 0.06 0.65 0.08 0.00 -0.05 0.00 0.00 57.45 58.19 1xtl n PHE 98 Cb 0.29 -4.48 0.20 0.00 -0.94 0.00 0.00 39.48 34.54 1xtl n PHE 98 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1xtl h GLU 99 N -1.73 0.00 0.00 -1.08 5.08 -1.91 -3.41 114.58 111.54 1xtl h GLU 99 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1xtl h GLU 99 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1xtl h GLU 99 CO 0.53 0.25 0.00 0.43 -1.00 0.00 0.00 179.01 179.23 1xtl n SER 100 N -3.21 0.00 -3.12 1.42 7.64 -1.26 -3.82 113.62 111.27 1xtl n SER 100 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 1xtl n SER 100 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1xtl n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xtl n ALA 101 N 0.00 0.37 -2.78 -0.43 0.00 -1.22 -3.37 120.51 113.08 1xtl n ALA 101 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1xtl n ALA 101 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1xtl n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtl n GLY 102 N 2.35 1.53 1.51 0.00 0.00 -1.25 -4.59 105.19 104.75 1xtl n GLY 102 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xtl n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtl n GLY 103 N 5.00 -2.45 3.72 -0.02 0.00 -1.26 -4.90 105.19 105.29 1xtl n GLY 103 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1xtl n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtl n HIS 104 N -0.08 2.77 -1.59 1.61 8.25 -1.26 0.14 115.22 125.06 1xtl n HIS 104 Ca 0.00 0.09 -0.50 0.00 -0.26 0.00 0.00 57.72 57.04 1xtl n HIS 104 Cb 0.00 -2.66 -0.06 0.00 1.12 0.00 0.00 29.99 28.39 1xtl n HIS 104 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xtl n PHE 105 N 3.56 1.97 -2.79 4.41 -0.00 0.10 -4.64 117.46 120.07 1xtl n PHE 105 Ca 0.14 0.18 -0.11 0.00 -0.00 0.00 0.00 57.45 57.66 1xtl n PHE 105 Cb 0.35 -2.59 0.03 0.00 -0.00 0.00 0.00 39.48 37.27 1xtl n PHE 105 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1xtl n ASN 106 N 8.21 0.74 -0.22 -2.13 5.15 -1.26 -1.90 115.26 123.85 1xtl n ASN 106 Ca 0.31 -2.80 0.18 0.00 -0.60 0.00 0.00 54.58 51.68 1xtl n ASN 106 Cb 0.26 -0.26 0.51 0.00 -0.53 0.00 0.00 39.78 39.75 1xtl n ASN 106 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xtl h PRO 107 N 2.89 0.40 -0.59 1.20 0.13 -1.91 -1.04 132.00 133.08 1xtl h PRO 107 Ca -0.07 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1xtl h PRO 107 Cb 1.14 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1xtl h PRO 107 CO 0.42 0.27 0.00 1.28 -0.23 0.00 0.00 178.00 179.73 1xtl n LEU 108 N -4.50 3.34 -4.01 1.56 4.32 -1.26 -5.00 117.00 111.45 1xtl n LEU 108 Ca 0.18 -1.68 -0.30 0.00 -0.02 0.00 0.00 56.01 54.19 1xtl n LEU 108 Cb 0.65 -0.44 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1xtl n LEU 108 CO 0.31 0.68 -0.26 -3.20 -1.22 0.00 0.00 177.39 173.70 1xtl n ASN 109 N 0.94 -1.13 -4.25 -1.43 5.15 -0.39 -5.01 115.26 109.14 1xtl n ASN 109 Ca 0.19 -1.10 -0.16 0.00 -0.60 0.00 0.00 54.58 52.91 1xtl n ASN 109 Cb 0.59 -2.62 0.07 0.00 -0.53 0.00 0.00 39.78 37.28 1xtl n ASN 109 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1xtl n LYS 110 N -4.48 0.51 -2.47 1.20 5.02 -1.26 -5.13 118.16 111.54 1xtl n LYS 110 Ca -0.26 -2.39 -0.24 0.00 -2.02 0.00 0.00 58.31 53.40 1xtl n LYS 110 Cb 0.66 -0.28 0.08 0.00 -0.02 0.00 0.00 35.03 35.47 1xtl n LYS 110 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xtl s GLU 111 N -4.22 2.03 0.33 1.97 2.02 -0.62 -4.74 118.70 115.47 1xtl s GLU 111 Ca 0.50 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 54.47 1xtl s GLU 111 Cb -0.04 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 1xtl s GLU 111 CO 0.32 -1.21 1.01 -1.58 0.02 0.00 0.00 175.26 173.82 1xtl s HIS 112 N -3.09 3.57 0.00 1.61 5.65 -1.26 -2.23 115.29 119.54 1xtl s HIS 112 Ca 0.62 1.74 0.00 0.00 0.25 0.00 0.00 55.06 57.67 1xtl s HIS 112 Cb -0.08 -3.08 0.00 0.00 -1.18 0.00 0.00 32.58 28.24 1xtl s HIS 112 CO 0.43 -0.19 0.00 0.41 -0.65 0.00 0.00 174.74 174.74 1xtl n GLY 113 N 0.75 3.34 0.22 1.59 0.00 -1.26 -4.51 105.19 105.33 1xtl n GLY 113 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 1xtl n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xtl h PHE 114 N 0.00 0.45 -0.11 1.61 0.05 -1.90 -2.94 116.94 114.10 1xtl h PHE 114 Ca 0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1xtl h PHE 114 Cb 0.00 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 37.83 1xtl h PHE 114 CO 0.00 0.18 0.00 0.09 -0.18 0.00 0.00 178.31 178.40 1xtl n ASN 115 N -4.93 0.65 -4.49 2.17 4.13 0.20 -4.82 115.26 108.18 1xtl n ASN 115 Ca 0.06 -1.89 -0.38 0.00 1.68 0.00 0.00 54.58 54.05 1xtl n ASN 115 Cb 0.20 -0.07 -0.11 0.00 -1.54 0.00 0.00 39.78 38.25 1xtl n ASN 115 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1xtl s ASN 116 N -1.13 5.65 0.62 6.41 3.84 -1.11 -4.93 114.94 124.29 1xtl s ASN 116 Ca 0.13 -0.35 0.32 0.00 0.21 0.00 0.00 52.86 53.18 1xtl s ASN 116 Cb 0.07 -2.03 1.84 0.00 -0.55 0.00 0.00 41.25 40.58 1xtl s ASN 116 CO 0.10 -0.14 2.15 1.55 -2.79 0.00 0.00 177.10 177.97 1xtl h PRO 117 N 8.36 0.00 -0.60 0.43 0.13 -1.87 1.02 132.00 139.46 1xtl h PRO 117 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xtl h PRO 117 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xtl h PRO 117 CO 0.60 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.04 1xtl n MET 118 N -3.53 2.83 -2.43 0.86 2.81 -1.26 -4.96 117.12 111.44 1xtl n MET 118 Ca -0.00 -2.13 -0.25 0.00 -1.81 0.00 0.00 57.70 53.50 1xtl n MET 118 Cb 0.25 -1.64 0.14 0.00 -0.71 0.00 0.00 33.22 31.26 1xtl n MET 118 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1xtl s GLY 119 N -0.87 1.77 0.15 3.03 0.00 0.35 -1.60 107.32 110.16 1xtl s GLY 119 Ca 0.39 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1xtl s GLY 119 CO 0.21 -1.04 -0.02 -2.38 0.00 0.00 0.00 173.10 169.88 1xtl s HIS 120 N -3.40 1.12 0.43 1.90 -3.43 -1.25 -4.82 115.29 105.84 1xtl s HIS 120 Ca 0.70 -0.99 -0.26 0.00 -0.80 0.00 0.00 55.06 53.71 1xtl s HIS 120 Cb -0.04 -0.64 -0.09 0.00 -1.43 0.00 0.00 32.58 30.39 1xtl s HIS 120 CO 0.48 -0.20 1.39 0.72 -2.00 0.00 0.00 174.74 175.13 1xtl n HIS 121 N -0.19 2.56 -0.11 0.38 8.25 -0.95 -4.79 115.22 120.37 1xtl n HIS 121 Ca -0.08 0.46 0.19 0.00 -0.26 0.00 0.00 57.72 58.03 1xtl n HIS 121 Cb 0.63 -2.44 0.60 0.00 1.12 0.00 0.00 29.99 29.89 1xtl n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtl h ALA 122 N 2.32 2.36 -0.00 -1.41 0.00 -1.85 -2.94 119.26 117.73 1xtl h ALA 122 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xtl h ALA 122 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xtl h ALA 122 CO 0.61 -0.55 -0.04 0.41 0.00 0.00 0.00 179.25 179.68 1xtl n GLY 123 N -1.59 -1.29 3.69 0.00 0.00 -0.80 -4.66 105.19 100.54 1xtl n GLY 123 Ca 0.14 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1xtl n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xtl s ASP 124 N -2.69 6.83 0.27 1.61 1.01 -1.11 -1.14 116.67 121.44 1xtl s ASP 124 Ca 0.24 2.17 0.09 0.00 0.71 0.00 0.00 52.55 55.76 1xtl s ASP 124 Cb 0.20 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1xtl s ASP 124 CO 0.49 -0.72 -0.13 -0.76 0.21 0.00 0.00 175.17 174.27 1xtl s LEU 125 N 2.20 2.57 0.66 1.23 1.43 -1.16 -5.00 118.68 120.60 1xtl s LEU 125 Ca 0.65 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1xtl s LEU 125 Cb -0.33 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1xtl s LEU 125 CO 0.28 -0.17 1.19 -2.84 0.23 0.00 0.00 176.35 175.04 1xtl s PRO 126 N -3.63 2.62 0.58 1.29 0.02 -1.26 -4.54 135.00 130.08 1xtl s PRO 126 Ca 0.28 1.71 -0.19 0.00 0.02 0.00 0.00 61.00 62.82 1xtl s PRO 126 Cb -0.00 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 1xtl s PRO 126 CO 0.12 -1.46 0.97 0.09 -0.33 0.00 0.00 177.00 176.39 1xtl n ASN 127 N -2.19 0.83 -4.77 2.53 5.03 -1.26 -4.62 115.26 110.81 1xtl n ASN 127 Ca 0.13 0.83 -0.39 0.00 0.87 0.00 0.00 54.58 56.02 1xtl n ASN 127 Cb 0.50 -1.39 -0.06 0.00 -1.02 0.00 0.00 39.78 37.82 1xtl n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xtl s LEU 128 N -1.88 4.43 -0.25 3.41 1.43 -0.18 -4.91 118.68 120.72 1xtl s LEU 128 Ca 0.74 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.87 1xtl s LEU 128 Cb -0.43 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 1xtl s LEU 128 CO 0.48 0.14 0.15 -0.70 0.23 0.00 0.00 176.35 176.65 1xtl s GLU 129 N -0.33 3.95 -0.14 1.70 2.12 -1.26 -1.47 118.70 123.26 1xtl s GLU 129 Ca 0.30 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 55.12 1xtl s GLU 129 Cb -0.18 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1xtl s GLU 129 CO 0.16 -0.06 0.45 0.08 -0.54 0.00 0.00 175.26 175.35 1xtl s VAL 130 N 1.38 5.20 1.01 3.70 1.01 -0.66 -4.70 120.40 127.34 1xtl s VAL 130 Ca 0.07 0.87 -0.12 0.00 0.00 0.00 0.00 61.98 62.80 1xtl s VAL 130 Cb -0.15 -3.79 0.19 0.00 0.00 0.00 0.00 36.38 32.64 1xtl s VAL 130 CO 0.07 0.31 1.08 -0.83 0.00 0.00 0.00 175.10 175.73 1xtl s GLY 131 N 0.71 1.59 0.42 4.51 0.00 -0.53 -0.96 107.32 113.06 1xtl s GLY 131 Ca 0.24 -0.04 0.14 0.00 0.00 0.00 0.00 44.72 45.07 1xtl s GLY 131 CO 0.09 0.54 1.93 0.00 0.00 0.00 0.00 173.10 175.66 1xtl h ALA 132 N -2.02 2.06 -1.30 3.20 0.00 -1.91 -1.49 119.26 117.80 1xtl h ALA 132 Ca -0.53 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 54.75 1xtl h ALA 132 Cb 1.31 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1xtl h ALA 132 CO 0.52 -0.25 1.16 -3.47 0.00 0.00 0.00 179.25 177.20 1xtl n ASP 133 N -4.48 0.00 -0.03 0.00 -0.08 -1.26 -4.72 116.55 105.98 1xtl n ASP 133 Ca 0.14 0.76 -0.00 0.00 -1.51 0.00 0.00 54.79 54.18 1xtl n ASP 133 Cb 0.49 -0.33 -0.00 0.00 2.34 0.00 0.00 41.12 43.62 1xtl n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xtl n GLY 134 N -1.70 0.43 3.45 0.27 0.00 -0.60 -4.83 105.19 102.21 1xtl n GLY 134 Ca 0.29 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1xtl n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtl s LYS 135 N -0.54 1.62 -0.01 1.61 1.02 -1.26 -2.15 119.74 120.04 1xtl s LYS 135 Ca 0.00 -1.72 0.01 0.00 0.02 0.00 0.00 55.97 54.28 1xtl s LYS 135 Cb 0.00 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1xtl s LYS 135 CO 0.00 0.32 -0.04 0.54 -0.92 0.00 0.00 175.35 175.25 1xtl s VAL 136 N -2.46 0.36 -0.38 3.17 0.11 -0.23 -1.46 120.40 119.51 1xtl s VAL 136 Ca 0.28 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1xtl s VAL 136 Cb -0.05 -0.33 0.16 0.00 -1.53 0.00 0.00 36.38 34.63 1xtl s VAL 136 CO 0.14 0.12 0.40 -0.62 -3.33 0.00 0.00 175.10 171.80 1xtl s ASP 137 N 0.11 1.02 0.13 3.54 -1.08 -1.24 -0.40 116.67 118.74 1xtl s ASP 137 Ca -0.01 -1.71 0.01 0.00 -0.52 0.00 0.00 52.55 50.32 1xtl s ASP 137 Cb -0.04 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1xtl s ASP 137 CO -0.00 -0.24 -0.02 0.68 0.52 0.00 0.00 175.17 176.11 1xtl s VAL 138 N 1.28 0.55 -0.28 1.11 -7.23 -0.60 -4.99 120.40 110.24 1xtl s VAL 138 Ca 0.19 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1xtl s VAL 138 Cb -0.13 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.92 1xtl s VAL 138 CO -0.04 -0.66 0.06 -0.63 -0.31 0.00 0.00 175.10 173.52 1xtl s ILE 139 N -3.73 3.85 -0.09 -0.62 1.09 -1.26 -0.82 121.20 119.62 1xtl s ILE 139 Ca 0.18 -0.68 -0.06 0.00 -1.10 0.00 0.00 60.65 58.99 1xtl s ILE 139 Cb 0.06 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.46 1xtl s ILE 139 CO -0.01 0.13 0.16 -0.04 -0.10 0.00 0.00 174.94 175.08 1xtl s MET 140 N 1.49 3.46 -0.06 2.79 -1.94 -0.19 -4.89 119.30 119.96 1xtl s MET 140 Ca 0.03 -0.14 -0.16 0.00 -1.71 0.00 0.00 55.69 53.70 1xtl s MET 140 Cb -0.17 -3.17 -0.05 0.00 2.01 0.00 0.00 34.83 33.45 1xtl s MET 140 CO 0.02 0.75 0.43 1.21 -0.01 0.00 0.00 175.02 177.42 1xtl s ASN 141 N -1.24 6.73 -0.62 3.03 3.84 -1.26 -0.27 114.94 125.16 1xtl s ASN 141 Ca 0.18 0.87 0.04 0.00 0.21 0.00 0.00 52.86 54.17 1xtl s ASN 141 Cb -0.12 -2.26 0.15 0.00 -0.55 0.00 0.00 41.25 38.47 1xtl s ASN 141 CO 0.08 0.17 0.40 0.00 -2.79 0.00 0.00 177.10 174.96 1xtl s ALA 142 N -0.24 3.44 0.06 1.71 0.00 0.72 -4.93 121.76 122.51 1xtl s ALA 142 Ca 0.24 -3.52 0.33 0.00 0.00 0.00 0.00 51.96 49.01 1xtl s ALA 142 Cb -0.16 -2.12 1.46 0.00 0.00 0.00 0.00 23.12 22.30 1xtl s ALA 142 CO 0.11 -2.07 1.97 -1.00 0.00 0.00 0.00 175.76 174.78 1xtl h PRO 143 N 5.84 0.00 -0.73 0.00 0.13 -1.79 -1.14 132.00 134.31 1xtl h PRO 143 Ca 0.07 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.76 1xtl h PRO 143 Cb 0.82 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.69 1xtl h PRO 143 CO 0.68 0.00 0.21 -0.25 -0.23 0.00 0.00 178.00 178.41 1xtl n ASP 144 N -2.85 4.44 -4.25 1.44 8.00 -1.26 -4.10 116.55 117.97 1xtl n ASP 144 Ca 0.00 -3.75 -0.14 0.00 0.71 0.00 0.00 54.79 51.62 1xtl n ASP 144 Cb 0.23 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 40.51 1xtl n ASP 144 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xtl s THR 145 N -3.87 0.79 0.19 -3.53 -4.23 -1.17 -4.82 115.64 99.00 1xtl s THR 145 Ca 0.54 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 1xtl s THR 145 Cb 0.45 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1xtl s THR 145 CO 0.03 -0.52 0.37 -0.55 -0.54 0.00 0.00 174.62 173.42 1xtl s SER 146 N -3.18 -0.06 0.00 3.99 0.15 0.51 -3.91 113.70 111.20 1xtl s SER 146 Ca 0.23 -0.79 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1xtl s SER 146 Cb 0.05 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1xtl s SER 146 CO 0.04 -0.97 0.68 0.18 1.20 0.00 0.00 173.24 174.36 1xtl n LEU 147 N -0.27 1.46 -4.67 3.45 4.77 -1.26 -1.28 117.00 119.20 1xtl n LEU 147 Ca -0.07 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.50 1xtl n LEU 147 Cb 0.63 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1xtl n LEU 147 CO 0.22 0.30 0.86 -0.54 -1.33 0.00 0.00 177.39 176.91 1xtl s LYS 148 N -0.52 4.33 0.34 3.23 1.02 -1.26 -4.71 119.74 122.17 1xtl s LYS 148 Ca 0.07 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 1xtl s LYS 148 Cb 0.05 -3.60 -0.12 0.00 -0.52 0.00 0.00 37.83 33.64 1xtl s LYS 148 CO 0.08 -0.49 1.40 1.17 -0.92 0.00 0.00 175.35 176.59 1xtl n LYS 149 N 5.73 2.36 0.00 1.68 4.81 -1.26 -1.91 118.16 129.56 1xtl n LYS 149 Ca 0.10 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1xtl n LYS 149 Cb 0.47 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1xtl n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xtl n GLY 150 N 1.00 2.42 3.76 3.14 0.00 -1.26 -5.04 105.19 109.21 1xtl n GLY 150 Ca 0.05 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1xtl n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtl s SER 151 N 0.25 6.35 0.49 1.61 0.15 -0.80 -4.87 113.70 116.88 1xtl s SER 151 Ca 0.00 3.00 0.28 0.00 0.70 0.00 0.00 55.95 59.93 1xtl s SER 151 Cb 0.00 -2.65 1.18 0.00 -1.71 0.00 0.00 66.02 62.84 1xtl s SER 151 CO 0.00 -0.91 1.93 0.07 1.20 0.00 0.00 173.24 175.53 1xtl h LYS 152 N 4.13 0.00 -0.39 5.44 2.10 -1.96 -1.27 116.57 124.63 1xtl h LYS 152 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1xtl h LYS 152 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1xtl h LYS 152 CO 0.74 0.14 0.00 1.28 -2.00 0.00 0.00 179.45 179.61 1xtl n LEU 153 N -3.35 0.97 -4.61 7.07 4.77 -1.26 -4.85 117.00 115.73 1xtl n LEU 153 Ca -0.00 -0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 55.06 1xtl n LEU 153 Cb 0.35 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1xtl n LEU 153 CO 0.31 0.20 1.49 0.21 -1.33 0.00 0.00 177.39 178.27 1xtl s ASN 154 N -0.70 6.02 0.03 -1.43 2.47 -0.48 -0.36 114.94 120.48 1xtl s ASN 154 Ca 0.08 1.38 0.28 0.00 0.42 0.00 0.00 52.86 55.01 1xtl s ASN 154 Cb 0.05 -2.53 1.02 0.00 -1.45 0.00 0.00 41.25 38.34 1xtl s ASN 154 CO 0.04 -1.59 1.79 2.30 -3.72 0.00 0.00 177.10 175.92 1xtl n ILE 155 N 7.19 0.08 -2.71 -5.21 -5.35 -0.40 -4.26 119.36 108.70 1xtl n ILE 155 Ca 0.22 -0.04 -0.37 0.00 -0.27 0.00 0.00 62.75 62.29 1xtl n ILE 155 Cb 0.46 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1xtl n ILE 155 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1xtl n LEU 156 N -1.61 6.53 0.00 7.28 0.00 -1.26 -3.66 117.00 124.28 1xtl n LEU 156 Ca 0.06 -5.46 -0.07 0.00 0.00 0.00 0.00 56.01 50.54 1xtl n LEU 156 Cb 0.35 -0.99 0.02 0.00 0.00 0.00 0.00 43.42 42.81 1xtl n LEU 156 CO 0.29 2.13 0.12 -0.90 0.00 0.00 0.00 177.39 179.04 1xtl n ASP 157 N -0.13 0.90 0.19 1.96 5.75 -1.26 -4.71 116.55 119.26 1xtl n ASP 157 Ca 0.42 -1.58 0.06 0.00 -0.01 0.00 0.00 54.79 53.68 1xtl n ASP 157 Cb 0.30 -0.13 0.34 0.00 -1.03 0.00 0.00 41.12 40.60 1xtl n ASP 157 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xtl h GLU 158 N 0.00 0.00 -0.01 0.11 4.81 -1.95 -2.59 114.58 114.95 1xtl h GLU 158 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xtl h GLU 158 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xtl h GLU 158 CO 0.15 0.36 -0.34 -0.40 -0.73 0.00 0.00 179.01 178.05 1xtl n ASP 159 N -3.52 1.54 -0.03 1.04 5.68 -1.26 -4.71 116.55 115.29 1xtl n ASP 159 Ca -0.00 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1xtl n ASP 159 Cb 0.50 0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1xtl n ASP 159 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xtl n GLY 160 N 1.37 -1.97 3.14 6.12 0.00 -0.98 -1.37 105.19 111.52 1xtl n GLY 160 Ca 0.11 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1xtl n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xtl s SER 161 N -4.00 0.19 0.04 1.61 0.01 -0.49 -3.54 113.70 107.53 1xtl s SER 161 Ca 0.00 -0.62 0.07 0.00 1.31 0.00 0.00 55.95 56.71 1xtl s SER 161 Cb 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1xtl s SER 161 CO 0.00 -0.59 -0.19 0.00 0.41 0.00 0.00 173.24 172.87 1xtl s ALA 162 N -3.15 2.53 -0.22 1.44 0.00 -1.02 -0.81 121.76 120.54 1xtl s ALA 162 Ca -0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1xtl s ALA 162 Cb 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1xtl s ALA 162 CO -0.07 0.56 0.21 -0.06 0.00 0.00 0.00 175.76 176.40 1xtl s PHE 163 N -0.89 3.35 -0.01 0.00 0.08 0.39 -0.54 117.98 120.35 1xtl s PHE 163 Ca 0.14 0.34 0.06 0.00 0.12 0.00 0.00 56.93 57.59 1xtl s PHE 163 Cb -0.10 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1xtl s PHE 163 CO 0.04 0.09 -0.20 0.42 -0.10 0.00 0.00 175.22 175.47 1xtl s ILE 164 N 0.97 1.61 -0.13 0.64 1.01 -0.83 -0.72 121.20 123.75 1xtl s ILE 164 Ca 0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1xtl s ILE 164 Cb -0.13 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1xtl s ILE 164 CO 0.04 0.45 -0.01 -0.63 0.00 0.00 0.00 174.94 174.79 1xtl s ILE 165 N -0.49 4.16 0.68 2.92 1.01 -0.45 -2.78 121.20 126.25 1xtl s ILE 165 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1xtl s ILE 165 Cb -0.08 -2.80 0.08 0.00 0.01 0.00 0.00 42.46 39.67 1xtl s ILE 165 CO -0.01 0.53 0.96 -1.00 0.00 0.00 0.00 174.94 175.42 1xtl s HIS 166 N -0.08 2.49 -0.59 3.97 3.76 0.00 -0.50 115.29 124.33 1xtl s HIS 166 Ca 0.03 0.12 0.25 0.00 -0.15 0.00 0.00 55.06 55.31 1xtl s HIS 166 Cb -0.13 -3.08 0.57 0.00 1.11 0.00 0.00 32.58 31.05 1xtl s HIS 166 CO 0.02 -1.41 1.67 1.05 -0.85 0.00 0.00 174.74 175.22 1xtl h GLU 167 N -0.45 0.00 -4.27 1.40 4.11 -0.75 -3.38 114.58 111.23 1xtl h GLU 167 Ca -0.42 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.68 1xtl h GLU 167 Cb 1.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 1xtl h GLU 167 CO 0.51 0.00 -0.22 1.14 0.07 0.00 0.00 179.01 180.51 1xtl s GLN 168 N -3.16 1.96 0.20 1.06 -2.07 -0.48 -4.94 119.66 112.24 1xtl s GLN 168 Ca 0.09 -1.85 -0.30 0.00 -1.82 0.00 0.00 55.36 51.48 1xtl s GLN 168 Cb 0.09 0.43 -0.08 0.00 -1.09 0.00 0.00 33.01 32.36 1xtl s GLN 168 CO 0.64 -0.80 1.07 0.00 -1.32 0.00 0.00 175.29 174.87 1xtl s ALA 169 N -2.98 3.36 0.24 2.60 0.00 -0.88 -1.56 121.76 122.55 1xtl s ALA 169 Ca 0.32 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 1xtl s ALA 169 Cb -0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1xtl s ALA 169 CO 0.23 -0.12 1.60 -3.47 0.00 0.00 0.00 175.76 173.99 1xtl n ASP 170 N 2.01 3.59 -0.08 0.00 -0.08 -1.26 -4.47 116.55 116.26 1xtl n ASP 170 Ca 0.01 1.11 0.16 0.00 -1.51 0.00 0.00 54.79 54.56 1xtl n ASP 170 Cb 0.46 -1.53 0.88 0.00 2.34 0.00 0.00 41.12 43.26 1xtl n ASP 170 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1xtl n ASP 171 N 2.84 0.26 -2.21 1.67 5.68 -1.02 -4.95 116.55 118.81 1xtl n ASP 171 Ca 0.12 -1.08 -0.17 0.00 -0.50 0.00 0.00 54.79 53.17 1xtl n ASP 171 Cb 0.34 -0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1xtl n ASP 171 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1xtl n TYR 172 N -0.80 -0.98 0.13 2.11 0.53 -1.26 -4.84 117.16 112.04 1xtl n TYR 172 Ca 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.11 1xtl n TYR 172 Cb 0.15 -3.27 0.00 0.00 -1.03 0.00 0.00 39.34 35.19 1xtl n TYR 172 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 1xtl n LEU 173 N -2.72 -0.38 -4.63 7.72 7.94 -1.26 -0.63 117.00 123.04 1xtl n LEU 173 Ca -0.19 0.44 -0.41 0.00 -1.11 0.00 0.00 56.01 54.74 1xtl n LEU 173 Cb 0.63 0.55 0.02 0.00 0.53 0.00 0.00 43.42 45.15 1xtl n LEU 173 CO 0.23 -0.69 0.64 0.41 -1.11 0.00 0.00 177.39 176.87 1xtl n THR 174 N -3.32 2.64 -3.53 1.96 -1.04 -1.26 -4.66 114.28 105.08 1xtl n THR 174 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 1xtl n THR 174 Cb 0.00 -1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 67.23 1xtl n THR 174 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1xtl s ASN 175 N -0.77 6.55 0.32 8.00 0.01 -1.26 -1.76 114.94 126.03 1xtl s ASN 175 Ca 0.65 0.76 0.20 0.00 -0.71 0.00 0.00 52.86 53.76 1xtl s ASN 175 Cb -0.53 -2.16 0.17 0.00 0.41 0.00 0.00 41.25 39.14 1xtl s ASN 175 CO 0.56 -0.03 1.40 1.55 -1.51 0.00 0.00 177.10 179.07 1xtl h PRO 176 N 2.60 0.00 0.00 -0.60 0.13 -2.00 -3.44 132.00 128.70 1xtl h PRO 176 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xtl h PRO 176 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xtl h PRO 176 CO 0.70 0.15 -0.33 -1.13 -0.23 0.00 0.00 178.00 177.17 1xtl n SER 177 N -3.04 0.14 -0.49 1.44 3.41 -1.25 -4.68 113.62 109.15 1xtl n SER 177 Ca 0.02 -1.76 -0.04 0.00 -0.26 0.00 0.00 58.87 56.82 1xtl n SER 177 Cb 0.61 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1xtl n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtl n GLY 178 N -0.07 0.21 4.03 5.00 0.00 -0.72 -3.27 105.19 110.37 1xtl n GLY 178 Ca 0.01 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1xtl n GLY 178 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xtl n ASN 179 N 1.20 -3.37 0.03 1.61 2.85 -1.26 -2.44 115.26 113.87 1xtl n ASN 179 Ca -0.05 -0.91 0.12 0.00 -0.11 0.00 0.00 54.58 53.63 1xtl n ASN 179 Cb 0.54 -3.32 0.49 0.00 1.24 0.00 0.00 39.78 38.72 1xtl n ASN 179 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xtl n SER 180 N -2.80 0.19 0.00 1.20 7.64 -1.20 -4.79 113.62 113.86 1xtl n SER 180 Ca -0.01 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1xtl n SER 180 Cb 0.54 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1xtl n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xtl n GLY 181 N 0.93 -1.89 3.49 0.23 0.00 -1.26 -1.38 105.19 105.31 1xtl n GLY 181 Ca 0.05 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1xtl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtl n ALA 182 N 0.35 -1.13 -2.60 4.61 0.00 -1.26 -4.64 120.51 115.83 1xtl n ALA 182 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1xtl n ALA 182 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 1xtl n ALA 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xtl s ARG 183 N -1.73 4.23 -0.00 0.00 0.52 -1.26 -0.61 118.95 120.10 1xtl s ARG 183 Ca 0.64 1.40 0.04 0.00 -0.52 0.00 0.00 55.73 57.29 1xtl s ARG 183 Cb -0.58 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.16 1xtl s ARG 183 CO 0.57 -0.68 0.15 0.44 0.02 0.00 0.00 175.30 175.80 1xtl n ILE 184 N 5.40 0.00 -3.71 1.52 -5.35 0.34 -4.72 119.36 112.84 1xtl n ILE 184 Ca 0.12 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 1xtl n ILE 184 Cb 0.46 0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 39.07 1xtl n ILE 184 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xtl s VAL 185 N -1.68 -0.01 -0.03 7.28 1.01 -1.13 -3.05 120.40 122.78 1xtl s VAL 185 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1xtl s VAL 185 Cb 0.03 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1xtl s VAL 185 CO 0.17 0.02 0.08 0.00 0.00 0.00 0.00 175.10 175.37 1xtl s GLY 187 N 0.65 0.50 -0.12 0.00 0.00 0.10 -1.98 107.32 106.46 1xtl s GLY 187 Ca -0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 44.72 44.13 1xtl s GLY 187 CO -0.02 -0.09 0.67 0.00 0.00 0.00 0.00 173.10 173.66 1xtl s ALA 188 N 0.16 3.43 -0.41 3.20 0.00 -1.26 -0.46 121.76 126.43 1xtl s ALA 188 Ca -0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1xtl s ALA 188 Cb -0.08 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1xtl s ALA 188 CO 0.00 -0.30 0.28 -1.17 0.00 0.00 0.00 175.76 174.58 1xtl s LEU 189 N 1.28 5.07 -0.69 0.00 2.96 0.01 -4.78 118.68 122.54 1xtl s LEU 189 Ca 0.34 -1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1xtl s LEU 189 Cb -0.17 -2.12 0.18 0.00 0.50 0.00 0.00 46.19 44.58 1xtl s LEU 189 CO 0.14 -0.46 0.53 -0.22 -1.32 0.00 0.00 176.35 175.02 1xtl s LEU 190 N 1.63 5.42 0.00 -0.68 2.96 -1.26 -1.40 118.68 125.35 1xtl s LEU 190 Ca 0.04 -3.01 0.29 0.00 -0.22 0.00 0.00 54.13 51.23 1xtl s LEU 190 Cb -0.20 -1.89 1.29 0.00 0.50 0.00 0.00 46.19 45.89 1xtl s LEU 190 CO 0.08 -0.35 1.88 0.61 -1.32 0.00 0.00 176.35 177.25