#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxr s GLN 9 N 0.00 4.56 0.00 -0.78 2.00 -1.26 -4.93 119.66 119.26 1xxr s GLN 9 Ca 0.00 1.69 0.00 0.00 -2.00 0.00 0.00 55.36 55.05 1xxr s GLN 9 Cb 0.00 -3.31 0.00 0.00 0.80 0.00 0.00 33.01 30.50 1xxr s GLN 9 CO 0.00 0.01 0.51 0.25 -0.50 0.00 0.00 175.29 175.55 1xxr n THR 10 N 2.84 0.25 -3.77 -0.34 -2.24 -1.26 -5.07 114.28 104.69 1xxr n THR 10 Ca 0.04 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1xxr n THR 10 Cb 0.47 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 1xxr n THR 10 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xxr s THR 11 N -0.25 0.09 -2.40 4.28 2.01 -1.26 -5.05 115.64 113.05 1xxr s THR 11 Ca 0.00 -0.72 0.23 0.00 0.31 0.00 0.00 61.69 61.51 1xxr s THR 11 Cb 0.00 -0.93 0.46 0.00 0.01 0.00 0.00 72.50 72.05 1xxr s THR 11 CO 0.00 -0.40 1.57 0.61 -0.69 0.00 0.00 174.62 175.71 1xxr n GLY 12 N 0.61 0.41 3.59 4.40 0.00 -1.26 -4.84 105.19 108.10 1xxr n GLY 12 Ca -0.19 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 1xxr n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxr s THR 13 N -1.83 5.29 1.01 2.61 2.01 -1.26 -5.09 115.64 118.38 1xxr s THR 13 Ca 0.34 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.37 1xxr s THR 13 Cb 0.19 -3.52 0.19 0.00 0.01 0.00 0.00 72.50 69.38 1xxr s THR 13 CO 0.29 0.26 1.13 -0.94 -0.69 0.00 0.00 174.62 174.67 1xxr s SER 14 N 1.70 2.62 0.21 3.53 1.04 -1.26 -5.08 113.70 116.46 1xxr s SER 14 Ca 0.07 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 1xxr s SER 14 Cb -0.16 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1xxr s SER 14 CO 0.10 -3.10 0.21 0.00 0.98 0.00 0.00 173.24 171.43 1xxr s GLN 15 N -5.22 1.28 0.12 4.02 -2.07 -1.26 -5.15 119.66 111.37 1xxr s GLN 15 Ca 0.66 -1.53 -0.00 0.00 -1.82 0.00 0.00 55.36 52.67 1xxr s GLN 15 Cb -0.15 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 1xxr s GLN 15 CO 0.55 -0.45 0.02 0.95 -1.32 0.00 0.00 175.29 175.04 1xxr s THR 16 N -4.12 0.28 0.45 3.63 -4.23 -1.26 -5.13 115.64 105.26 1xxr s THR 16 Ca 0.35 -1.90 -0.23 0.00 -1.18 0.00 0.00 61.69 58.72 1xxr s THR 16 Cb 0.05 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.91 1xxr s THR 16 CO 0.11 -0.62 1.17 -0.63 -0.54 0.00 0.00 174.62 174.11 1xxr s ILE 17 N -3.92 3.08 -0.04 2.99 1.01 -1.14 -4.86 121.20 118.31 1xxr s ILE 17 Ca 0.19 0.82 0.01 0.00 0.00 0.00 0.00 60.65 61.67 1xxr s ILE 17 Cb 0.07 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 39.14 1xxr s ILE 17 CO -0.01 0.00 -0.03 -1.61 0.00 0.00 0.00 174.94 173.29 1xxr s GLU 18 N -2.65 0.71 0.15 2.79 2.02 -1.26 -0.63 118.70 119.83 1xxr s GLU 18 Ca 0.63 -0.06 0.11 0.00 0.02 0.00 0.00 54.97 55.67 1xxr s GLU 18 Cb -0.29 -0.78 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 1xxr s GLU 18 CO 0.36 -0.11 -0.24 0.14 0.02 0.00 0.00 175.26 175.43 1xxr s VAL 19 N 1.01 2.18 0.00 2.63 -7.23 -0.25 -4.99 120.40 113.75 1xxr s VAL 19 Ca -0.10 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1xxr s VAL 19 Cb -0.14 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1xxr s VAL 19 CO -0.01 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1xxr n GLY 20 N 0.66 -0.76 3.90 2.32 0.00 -1.26 -1.13 105.19 108.92 1xxr n GLY 20 Ca -0.16 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.40 1xxr n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxr s LEU 21 N 0.00 3.62 -0.08 0.99 1.43 -1.26 -5.00 118.68 118.38 1xxr s LEU 21 Ca 0.00 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1xxr s LEU 21 Cb 0.00 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 1xxr s LEU 21 CO 0.00 -0.58 -0.15 0.26 0.23 0.00 0.00 176.35 176.11 1xxr s TRP 22 N -2.73 2.71 -1.79 0.29 0.51 -0.56 -4.94 118.94 112.44 1xxr s TRP 22 Ca 0.48 -0.41 0.00 0.00 -2.12 0.00 0.00 56.10 54.06 1xxr s TRP 22 Cb -0.10 -1.71 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 1xxr s TRP 22 CO 0.44 -0.01 0.00 0.41 -0.51 0.00 0.00 176.95 177.28 1xxr n GLY 23 N 2.84 0.63 3.84 0.98 0.00 -1.26 -1.37 105.19 110.85 1xxr n GLY 23 Ca -0.18 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 1xxr n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxr n GLY 24 N 0.00 2.16 0.30 -0.02 0.00 -0.54 -4.88 105.19 102.21 1xxr n GLY 24 Ca 0.00 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 43.91 1xxr n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xxr n PRO 25 N -2.13 1.08 -1.11 1.61 -0.04 -1.26 -4.43 135.00 128.71 1xxr n PRO 25 Ca 0.12 -0.61 -0.27 0.00 -0.04 0.00 0.00 63.50 62.70 1xxr n PRO 25 Cb 0.60 -1.49 0.22 0.00 -0.04 0.00 0.00 33.50 32.79 1xxr n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xxr n GLY 26 N 1.28 -2.50 7.00 0.55 0.00 -1.26 -4.91 105.19 105.35 1xxr n GLY 26 Ca 0.15 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1xxr n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxr n GLY 27 N -3.93 -1.17 3.31 -0.02 0.00 -1.26 -4.61 105.19 97.51 1xxr n GLY 27 Ca 0.14 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 1xxr n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xxr s ASN 28 N -4.00 3.37 0.52 1.61 0.01 0.33 -4.80 114.94 111.97 1xxr s ASN 28 Ca 0.00 -0.44 -0.22 0.00 -0.71 0.00 0.00 52.86 51.50 1xxr s ASN 28 Cb 0.00 -0.99 -0.06 0.00 0.41 0.00 0.00 41.25 40.61 1xxr s ASN 28 CO 0.00 0.24 1.25 0.00 -1.51 0.00 0.00 177.10 177.08 1xxr s ALA 29 N -0.14 2.83 0.07 0.60 0.00 -1.26 -1.44 121.76 122.41 1xxr s ALA 29 Ca -0.03 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1xxr s ALA 29 Cb -0.14 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.53 1xxr s ALA 29 CO 0.04 -1.03 0.30 1.67 0.00 0.00 0.00 175.76 176.75 1xxr s TRP 30 N -1.46 -0.08 -0.23 0.00 1.48 0.13 -4.92 118.94 113.85 1xxr s TRP 30 Ca 0.69 -0.14 -0.04 0.00 -1.06 0.00 0.00 56.10 55.55 1xxr s TRP 30 Cb -0.33 0.10 0.12 0.00 -1.16 0.00 0.00 33.47 32.20 1xxr s TRP 30 CO 0.39 -0.55 0.42 0.34 -4.06 0.00 0.00 176.95 173.50 1xxr s ASP 31 N -2.34 -0.15 0.47 -2.66 -1.08 -1.26 -1.19 116.67 108.47 1xxr s ASP 31 Ca -0.02 0.61 0.26 0.00 -0.52 0.00 0.00 52.55 52.88 1xxr s ASP 31 Cb 0.01 1.35 1.05 0.00 -1.46 0.00 0.00 42.92 43.87 1xxr s ASP 31 CO -0.06 -0.27 1.88 0.44 0.52 0.00 0.00 175.17 177.68 1xxr h ASP 32 N 8.15 0.00 -2.46 -0.34 3.32 -1.60 -3.49 116.42 120.00 1xxr h ASP 32 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1xxr h ASP 32 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1xxr h ASP 32 CO 0.21 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 1xxr n GLY 33 N 0.02 -1.80 3.42 2.75 0.00 -1.26 -4.92 105.19 103.41 1xxr n GLY 33 Ca -0.00 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1xxr n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxr s SER 34 N -4.00 3.41 0.00 1.61 1.04 -1.26 -4.03 113.70 110.46 1xxr s SER 34 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1xxr s SER 34 Cb 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1xxr s SER 34 CO 0.00 0.10 0.00 -1.22 0.98 0.00 0.00 173.24 173.10 1xxr n TYR 35 N 0.13 0.00 0.18 5.02 4.02 0.61 -4.99 117.16 122.13 1xxr n TYR 35 Ca -0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.82 1xxr n TYR 35 Cb 0.57 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.95 1xxr n TYR 35 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1xxr n THR 36 N 0.00 0.34 -0.24 -0.72 -2.24 -0.63 -4.85 114.28 105.95 1xxr n THR 36 Ca 0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1xxr n THR 36 Cb 0.00 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1xxr n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxr n GLY 37 N 0.39 -2.22 3.10 3.38 0.00 -1.15 -4.89 105.19 103.80 1xxr n GLY 37 Ca 0.06 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1xxr n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxr s ILE 38 N -2.06 1.72 -0.25 -0.61 1.01 -1.26 -0.62 121.20 119.13 1xxr s ILE 38 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1xxr s ILE 38 Cb 0.00 -1.55 -0.15 0.00 0.01 0.00 0.00 42.46 40.77 1xxr s ILE 38 CO 0.00 0.48 -0.25 0.54 0.00 0.00 0.00 174.94 175.71 1xxr n ARG 39 N 4.12 0.60 -3.76 2.79 1.74 0.06 -4.79 116.66 117.43 1xxr n ARG 39 Ca -0.19 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1xxr n ARG 39 Cb 0.51 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1xxr n ARG 39 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1xxr s GLU 40 N -2.49 0.52 -0.12 5.56 2.12 -0.52 -1.32 118.70 122.45 1xxr s GLU 40 Ca -0.34 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.19 1xxr s GLU 40 Cb 0.10 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1xxr s GLU 40 CO 0.54 -0.11 -0.20 0.42 -0.54 0.00 0.00 175.26 175.38 1xxr s ILE 41 N -0.49 1.87 -0.10 -3.70 1.01 0.27 -0.58 121.20 119.48 1xxr s ILE 41 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1xxr s ILE 41 Cb -0.04 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1xxr s ILE 41 CO 0.02 0.51 -0.20 0.20 0.00 0.00 0.00 174.94 175.47 1xxr s ASN 42 N 0.82 3.41 0.23 3.58 -0.87 0.57 -0.11 114.94 122.56 1xxr s ASN 42 Ca -0.08 -0.46 -0.15 0.00 -1.57 0.00 0.00 52.86 50.59 1xxr s ASN 42 Cb -0.16 -1.32 0.01 0.00 -0.02 0.00 0.00 41.25 39.77 1xxr s ASN 42 CO -0.01 0.19 0.51 -1.48 -2.57 0.00 0.00 177.10 173.75 1xxr s LEU 43 N 0.18 0.20 0.10 0.60 0.05 -0.72 0.08 118.68 119.16 1xxr s LEU 43 Ca -0.12 -0.71 0.06 0.00 0.05 0.00 0.00 54.13 53.41 1xxr s LEU 43 Cb -0.16 2.01 -0.03 0.00 -2.05 0.00 0.00 46.19 45.95 1xxr s LEU 43 CO 0.06 -1.12 -0.15 -0.94 -0.55 0.00 0.00 176.35 173.66 1xxr s SER 44 N -2.94 1.90 -0.00 1.48 1.04 -0.69 0.17 113.70 114.64 1xxr s SER 44 Ca 0.15 -0.71 -0.20 0.00 0.48 0.00 0.00 55.95 55.68 1xxr s SER 44 Cb -0.01 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.08 1xxr s SER 44 CO 0.03 -0.09 0.44 -1.38 0.98 0.00 0.00 173.24 173.22 1xxr s HIS 45 N -1.63 -0.33 0.00 5.02 -3.43 -0.08 -0.50 115.29 114.34 1xxr s HIS 45 Ca 0.03 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 1xxr s HIS 45 Cb -0.08 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1xxr s HIS 45 CO 0.03 -0.51 0.00 0.41 -2.00 0.00 0.00 174.74 172.67 1xxr n GLY 46 N 0.91 1.05 0.61 -1.38 0.00 -1.26 -1.64 105.19 103.48 1xxr n GLY 46 Ca -0.20 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1xxr n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xxr n ASP 47 N 0.00 1.83 -2.06 1.61 5.68 -1.26 -3.95 116.55 118.40 1xxr n ASP 47 Ca 0.00 -1.76 -0.02 0.00 -0.50 0.00 0.00 54.79 52.51 1xxr n ASP 47 Cb 0.00 -0.13 0.01 0.00 -1.14 0.00 0.00 41.12 39.86 1xxr n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xxr n ALA 48 N 0.43 -1.21 -2.61 2.12 0.00 -1.25 -4.32 120.51 113.67 1xxr n ALA 48 Ca 0.16 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 1xxr n ALA 48 Cb 0.35 0.32 -0.10 0.00 0.00 0.00 0.00 19.45 20.02 1xxr n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xxr s ILE 49 N -2.37 5.27 0.00 0.00 -1.09 -0.73 -4.30 121.20 117.98 1xxr s ILE 49 Ca 0.10 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1xxr s ILE 49 Cb -0.02 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1xxr s ILE 49 CO 0.03 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1xxr n GLY 50 N 4.77 -0.22 3.88 6.18 0.00 0.34 -0.80 105.19 119.34 1xxr n GLY 50 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1xxr n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxr s ALA 51 N -3.66 3.58 -0.24 4.61 0.00 -1.23 -3.46 121.76 121.36 1xxr s ALA 51 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1xxr s ALA 51 Cb 0.00 -2.42 0.12 0.00 0.00 0.00 0.00 23.12 20.82 1xxr s ALA 51 CO 0.00 0.51 0.45 0.12 0.00 0.00 0.00 175.76 176.84 1xxr s PHE 52 N -1.81 -0.97 0.04 0.00 5.36 -0.11 -1.71 117.98 118.78 1xxr s PHE 52 Ca 0.47 1.36 -0.01 0.00 -0.96 0.00 0.00 56.93 57.79 1xxr s PHE 52 Cb -0.11 0.27 -0.03 0.00 -0.34 0.00 0.00 43.02 42.81 1xxr s PHE 52 CO 0.21 -0.64 -0.02 -1.12 -1.46 0.00 0.00 175.22 172.19 1xxr s SER 53 N 2.65 0.37 0.02 6.13 0.01 0.11 -3.23 113.70 119.76 1xxr s SER 53 Ca 0.07 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1xxr s SER 53 Cb -0.14 0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1xxr s SER 53 CO -0.16 -0.49 -0.06 -0.69 0.41 0.00 0.00 173.24 172.25 1xxr s VAL 54 N -2.98 0.42 -0.38 3.43 1.01 -1.26 -0.32 120.40 120.32 1xxr s VAL 54 Ca -0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1xxr s VAL 54 Cb 0.01 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 36.00 1xxr s VAL 54 CO -0.07 -0.19 0.18 -0.63 0.00 0.00 0.00 175.10 174.39 1xxr s ILE 55 N -0.85 3.98 0.59 2.22 -1.09 0.26 -0.84 121.20 125.46 1xxr s ILE 55 Ca -0.06 -1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 57.06 1xxr s ILE 55 Cb -0.06 -3.35 0.03 0.00 -1.58 0.00 0.00 42.46 37.50 1xxr s ILE 55 CO 0.00 -0.34 0.86 -0.31 -1.23 0.00 0.00 174.94 173.92 1xxr s TYR 56 N 1.40 3.03 -0.10 3.97 1.51 0.15 -0.76 117.35 126.56 1xxr s TYR 56 Ca 0.01 0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 56.33 1xxr s TYR 56 Cb -0.21 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 38.80 1xxr s TYR 56 CO 0.02 -0.93 0.12 0.34 -1.11 0.00 0.00 175.55 174.00 1xxr s ASP 57 N -4.39 6.20 -0.41 2.29 2.15 0.21 -0.51 116.67 122.22 1xxr s ASP 57 Ca 0.56 0.41 0.01 0.00 0.43 0.00 0.00 52.55 53.96 1xxr s ASP 57 Cb -0.10 -1.97 0.13 0.00 -0.30 0.00 0.00 42.92 40.68 1xxr s ASP 57 CO 0.42 0.39 0.22 -0.22 -0.17 0.00 0.00 175.17 175.81 1xxr s LEU 58 N -1.09 2.18 -1.30 -1.34 2.96 0.92 -1.60 118.68 119.41 1xxr s LEU 58 Ca 0.16 -2.45 -0.04 0.00 -0.22 0.00 0.00 54.13 51.57 1xxr s LEU 58 Cb -0.12 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1xxr s LEU 58 CO 0.05 -0.29 1.04 0.59 -1.32 0.00 0.00 176.35 176.43 1xxr n ASN 59 N 3.75 -3.85 0.00 3.68 5.03 -1.26 -2.83 115.26 119.78 1xxr n ASN 59 Ca 0.09 -0.62 0.00 0.00 0.87 0.00 0.00 54.58 54.92 1xxr n ASN 59 Cb 0.35 -4.91 0.00 0.00 -1.02 0.00 0.00 39.78 34.21 1xxr n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xxr n GLY 60 N -1.56 0.81 3.25 7.41 0.00 -1.26 -5.05 105.19 108.79 1xxr n GLY 60 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1xxr n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxr s GLN 61 N -0.70 1.08 0.50 1.61 -0.21 -1.13 -5.13 119.66 115.67 1xxr s GLN 61 Ca 0.00 -1.08 -0.22 0.00 0.02 0.00 0.00 55.36 54.08 1xxr s GLN 61 Cb 0.00 -1.27 -0.06 0.00 1.00 0.00 0.00 33.01 32.68 1xxr s GLN 61 CO 0.00 0.30 1.20 -2.14 -2.12 0.00 0.00 175.29 172.53 1xxr s PRO 62 N -1.76 3.52 -0.05 2.91 0.02 -1.26 -0.05 135.00 138.32 1xxr s PRO 62 Ca 0.05 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 1xxr s PRO 62 Cb -0.10 -2.29 0.03 0.00 0.02 0.00 0.00 34.50 32.16 1xxr s PRO 62 CO 0.03 -0.77 0.04 0.12 -0.33 0.00 0.00 177.00 176.10 1xxr s PHE 63 N -1.53 0.25 -0.26 6.54 5.36 0.33 -4.77 117.98 123.91 1xxr s PHE 63 Ca 0.67 0.12 -0.29 0.00 -0.96 0.00 0.00 56.93 56.47 1xxr s PHE 63 Cb -0.31 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 41.80 1xxr s PHE 63 CO 0.36 -0.23 1.33 0.99 -1.46 0.00 0.00 175.22 176.21 1xxr s THR 64 N 2.07 4.13 0.79 0.12 2.01 -1.26 -0.67 115.64 122.83 1xxr s THR 64 Ca 0.04 1.30 -0.11 0.00 0.31 0.00 0.00 61.69 63.23 1xxr s THR 64 Cb -0.12 -4.07 0.07 0.00 0.01 0.00 0.00 72.50 68.39 1xxr s THR 64 CO -0.04 -0.37 1.10 -0.83 -0.69 0.00 0.00 174.62 173.79 1xxr s GLY 65 N 2.73 1.62 0.68 4.40 0.00 -0.02 -4.96 107.32 111.78 1xxr s GLY 65 Ca 0.57 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 1xxr s GLY 65 CO 0.22 0.22 1.24 -1.05 0.00 0.00 0.00 173.10 173.72 1xxr n PRO 66 N -3.41 0.89 -3.50 2.90 -0.02 -1.26 -4.72 135.00 125.88 1xxr n PRO 66 Ca 0.07 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 1xxr n PRO 66 Cb 0.56 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 1xxr n PRO 66 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xxr s THR 67 N -1.56 5.01 -0.40 3.45 -4.23 -1.26 -4.53 115.64 112.11 1xxr s THR 67 Ca 0.80 0.37 0.08 0.00 -1.18 0.00 0.00 61.69 61.76 1xxr s THR 67 Cb -0.36 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.10 1xxr s THR 67 CO 0.43 0.01 0.57 1.41 -0.54 0.00 0.00 174.62 176.50 1xxr n HIS 68 N 0.07 -0.65 0.27 3.99 8.25 -1.20 -5.00 115.22 120.96 1xxr n HIS 68 Ca -0.01 -3.39 0.14 0.00 -0.26 0.00 0.00 57.72 54.20 1xxr n HIS 68 Cb 0.52 -0.15 0.70 0.00 1.12 0.00 0.00 29.99 32.18 1xxr n HIS 68 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xxr h PRO 69 N 3.93 0.00 0.00 -0.41 0.13 -1.87 -0.27 132.00 133.51 1xxr h PRO 69 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1xxr h PRO 69 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1xxr h PRO 69 CO 0.45 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1xxr n GLY 70 N -0.32 1.22 2.74 1.56 0.00 -1.26 -3.53 105.19 105.60 1xxr n GLY 70 Ca -0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1xxr n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xxr n ASN 71 N -1.63 -2.92 -3.70 1.61 4.05 -0.11 -4.93 115.26 107.63 1xxr n ASN 71 Ca 0.00 -2.89 -0.30 0.00 0.45 0.00 0.00 54.58 51.84 1xxr n ASN 71 Cb 0.00 1.66 -0.13 0.00 1.23 0.00 0.00 39.78 42.54 1xxr n ASN 71 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1xxr s GLU 72 N 0.74 1.18 0.50 1.20 0.41 -1.26 -4.93 118.70 116.55 1xxr s GLU 72 Ca 0.30 -1.87 0.19 0.00 -0.41 0.00 0.00 54.97 53.18 1xxr s GLU 72 Cb 0.13 -2.23 1.26 0.00 -1.78 0.00 0.00 34.13 31.51 1xxr s GLU 72 CO -0.15 -1.15 2.05 -1.35 -0.49 0.00 0.00 175.26 174.17 1xxr h PRO 73 N 6.87 0.10 0.00 0.39 0.11 -1.98 -2.72 132.00 134.77 1xxr h PRO 73 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1xxr h PRO 73 Cb 0.94 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1xxr h PRO 73 CO 0.46 0.06 -0.36 0.66 -0.21 0.00 0.00 178.00 178.62 1xxr h SER 74 N 0.10 0.00 -3.89 -2.05 4.64 -1.99 -3.47 113.55 106.89 1xxr h SER 74 Ca 0.17 -0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.87 1xxr h SER 74 Cb 0.53 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.70 1xxr h SER 74 CO -0.02 0.04 0.69 -0.36 -0.87 0.00 0.00 176.83 176.32 1xxr s PHE 75 N -3.17 2.89 0.25 4.77 0.40 -1.03 -4.98 117.98 117.11 1xxr s PHE 75 Ca 0.07 1.32 -0.30 0.00 -0.60 0.00 0.00 56.93 57.42 1xxr s PHE 75 Cb 0.11 -3.80 -0.09 0.00 0.51 0.00 0.00 43.02 39.75 1xxr s PHE 75 CO 0.68 -2.28 0.94 -1.59 0.70 0.00 0.00 175.22 173.67 1xxr s LYS 76 N -1.85 4.84 -0.03 0.44 -2.85 -0.65 -4.69 119.74 114.95 1xxr s LYS 76 Ca 0.51 1.48 -0.10 0.00 -1.00 0.00 0.00 55.97 56.85 1xxr s LYS 76 Cb -0.42 -3.24 -0.05 0.00 -2.06 0.00 0.00 37.83 32.06 1xxr s LYS 76 CO 0.56 0.50 0.29 0.99 0.10 0.00 0.00 175.35 177.79 1xxr s THR 77 N -1.22 5.26 -0.02 3.79 2.01 -1.26 -0.90 115.64 123.30 1xxr s THR 77 Ca 0.42 0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.89 1xxr s THR 77 Cb -0.25 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1xxr s THR 77 CO 0.31 0.50 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.88 1xxr s VAL 78 N -1.16 1.41 -0.27 3.82 1.01 0.13 -4.98 120.40 120.35 1xxr s VAL 78 Ca 0.23 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1xxr s VAL 78 Cb -0.14 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.13 1xxr s VAL 78 CO 0.12 0.40 -0.02 -0.75 0.00 0.00 0.00 175.10 174.85 1xxr s LYS 79 N -0.34 1.59 -0.50 2.72 2.20 -1.26 -1.75 119.74 122.40 1xxr s LYS 79 Ca 0.05 -1.27 -0.18 0.00 -0.36 0.00 0.00 55.97 54.21 1xxr s LYS 79 Cb -0.08 -2.71 0.06 0.00 -1.51 0.00 0.00 37.83 33.59 1xxr s LYS 79 CO -0.00 -0.72 0.58 0.42 -0.36 0.00 0.00 175.35 175.27 1xxr s ILE 80 N 1.26 4.96 -0.45 5.43 1.01 0.84 -4.96 121.20 129.28 1xxr s ILE 80 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 1xxr s ILE 80 Cb -0.19 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.06 1xxr s ILE 80 CO -0.09 -0.77 0.38 -0.89 0.00 0.00 0.00 174.94 173.57 1xxr s THR 81 N 2.40 5.22 0.42 2.92 2.01 -1.26 -0.57 115.64 126.79 1xxr s THR 81 Ca 0.12 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1xxr s THR 81 Cb -0.21 -4.07 -0.11 0.00 0.01 0.00 0.00 72.50 68.13 1xxr s THR 81 CO 0.10 -0.49 0.95 -0.76 -0.69 0.00 0.00 174.62 173.73 1xxr s LEU 82 N 1.71 3.97 -1.44 4.42 1.43 -0.43 -4.94 118.68 123.41 1xxr s LEU 82 Ca 0.05 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 1xxr s LEU 82 Cb -0.22 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.56 1xxr s LEU 82 CO 0.08 -0.35 2.27 -0.67 0.23 0.00 0.00 176.35 177.92 1xxr n ASP 83 N -0.54 5.22 -4.77 2.29 2.03 -1.26 -4.87 116.55 114.64 1xxr n ASP 83 Ca 0.07 -2.88 -0.40 0.00 0.52 0.00 0.00 54.79 52.10 1xxr n ASP 83 Cb 0.54 -1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.33 1xxr n ASP 83 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1xxr s PHE 84 N 2.07 3.19 -1.81 -0.67 5.36 -1.26 -0.61 117.98 124.25 1xxr s PHE 84 Ca 0.49 1.53 0.26 0.00 -0.96 0.00 0.00 56.93 58.25 1xxr s PHE 84 Cb 0.14 -3.49 0.68 0.00 -0.34 0.00 0.00 43.02 40.01 1xxr s PHE 84 CO -0.06 -1.37 1.52 -0.35 -1.46 0.00 0.00 175.22 173.50 1xxr n PRO 85 N 0.68 0.90 0.23 10.12 -0.04 -1.26 -4.87 135.00 140.77 1xxr n PRO 85 Ca 0.01 -0.56 0.06 0.00 -0.04 0.00 0.00 63.50 62.97 1xxr n PRO 85 Cb 0.44 -1.49 0.55 0.00 -0.04 0.00 0.00 33.50 32.96 1xxr n PRO 85 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1xxr h ASN 86 N 1.37 0.00 -3.29 3.54 2.35 -1.82 -3.41 115.58 114.31 1xxr h ASN 86 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 1xxr h ASN 86 Cb 0.53 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.73 1xxr h ASN 86 CO 0.00 0.15 -0.62 -0.70 -1.65 0.00 0.00 177.43 174.62 1xxr s GLU 87 N -4.64 3.52 0.04 0.81 2.12 0.22 -4.95 118.70 115.81 1xxr s GLU 87 Ca -0.04 -0.42 -0.21 0.00 0.36 0.00 0.00 54.97 54.65 1xxr s GLU 87 Cb 0.16 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.63 1xxr s GLU 87 CO 0.68 0.42 0.49 -0.59 -0.54 0.00 0.00 175.26 175.72 1xxr s PHE 88 N -0.10 -0.38 0.31 5.30 -0.12 -1.26 -4.30 117.98 117.43 1xxr s PHE 88 Ca 0.04 0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 57.06 1xxr s PHE 88 Cb -0.13 0.30 -0.10 0.00 -0.63 0.00 0.00 43.02 42.46 1xxr s PHE 88 CO 0.02 -0.61 1.37 -0.51 -0.05 0.00 0.00 175.22 175.44 1xxr s LEU 89 N -1.90 4.40 0.00 -1.99 1.43 -1.26 -1.88 118.68 117.48 1xxr s LEU 89 Ca -0.06 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1xxr s LEU 89 Cb -0.01 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1xxr s LEU 89 CO -0.01 -0.63 0.28 1.33 0.23 0.00 0.00 176.35 177.55 1xxr n VAL 90 N 1.21 0.00 -3.63 -1.59 0.24 0.84 -4.80 118.33 110.60 1xxr n VAL 90 Ca 0.02 -0.48 -0.07 0.00 -2.04 0.00 0.00 64.34 61.77 1xxr n VAL 90 Cb 0.41 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1xxr n VAL 90 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xxr s SER 91 N -0.40 -0.29 -0.04 -1.34 0.15 -0.87 -0.18 113.70 110.72 1xxr s SER 91 Ca 0.00 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.18 1xxr s SER 91 Cb 0.00 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1xxr s SER 91 CO 0.00 -0.14 -0.05 -0.69 1.20 0.00 0.00 173.24 173.56 1xxr s VAL 92 N -0.15 0.56 0.26 4.45 1.01 -1.07 -0.96 120.40 124.50 1xxr s VAL 92 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1xxr s VAL 92 Cb -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1xxr s VAL 92 CO -0.08 0.23 0.30 -0.94 0.00 0.00 0.00 175.10 174.61 1xxr s SER 93 N 0.86 0.50 0.00 3.32 1.04 -0.64 0.05 113.70 118.83 1xxr s SER 93 Ca -0.12 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1xxr s SER 93 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1xxr s SER 93 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1xxr n GLY 94 N -0.41 -0.62 3.05 7.32 0.00 -0.15 -0.03 105.19 114.35 1xxr n GLY 94 Ca 0.02 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1xxr n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxr s TYR 95 N -3.00 0.89 0.04 1.61 1.51 -0.93 -1.12 117.35 116.36 1xxr s TYR 95 Ca 0.00 -0.21 0.09 0.00 -1.01 0.00 0.00 57.07 55.94 1xxr s TYR 95 Cb 0.00 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.26 1xxr s TYR 95 CO 0.00 -0.01 -0.26 0.95 -1.11 0.00 0.00 175.55 175.12 1xxr s THR 96 N -0.38 2.18 0.00 -0.71 -4.23 0.31 -0.52 115.64 112.29 1xxr s THR 96 Ca 0.03 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1xxr s THR 96 Cb -0.05 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1xxr s THR 96 CO -0.00 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1xxr n GLY 97 N 1.78 1.21 3.77 3.99 0.00 -0.55 -0.14 105.19 115.25 1xxr n GLY 97 Ca -0.17 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1xxr n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxr s VAL 98 N -2.00 3.15 -0.38 1.61 1.01 -1.26 -1.17 120.40 121.36 1xxr s VAL 98 Ca 0.00 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1xxr s VAL 98 Cb 0.00 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.79 1xxr s VAL 98 CO 0.00 0.22 0.16 -0.22 0.00 0.00 0.00 175.10 175.26 1xxr s LEU 99 N -1.84 4.91 0.17 3.92 2.96 -1.26 -4.95 118.68 122.59 1xxr s LEU 99 Ca 0.49 -1.79 -0.20 0.00 -0.22 0.00 0.00 54.13 52.41 1xxr s LEU 99 Cb -0.34 -1.82 0.08 0.00 0.50 0.00 0.00 46.19 44.62 1xxr s LEU 99 CO 0.44 -0.47 1.31 0.00 -1.32 0.00 0.00 176.35 176.31 1xxr n ALA 100 N 4.63 -0.30 0.29 5.97 0.00 -1.26 -1.43 120.51 128.41 1xxr n ALA 100 Ca -0.06 0.79 0.19 0.00 0.00 0.00 0.00 53.44 54.36 1xxr n ALA 100 Cb 0.42 -0.26 0.99 0.00 0.00 0.00 0.00 19.45 20.60 1xxr n ALA 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xxr h ARG 101 N 0.00 0.00 0.00 0.00 0.11 -2.03 -1.21 114.38 111.25 1xxr h ARG 101 Ca 0.22 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.27 1xxr h ARG 101 Cb 0.43 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 1xxr h ARG 101 CO -0.82 0.00 -0.13 -0.07 0.10 0.00 0.00 179.97 179.05 1xxr h LEU 102 N 0.00 0.00 2.29 0.08 3.38 -1.68 -3.46 115.31 115.91 1xxr h LEU 102 Ca 0.03 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.60 1xxr h LEU 102 Cb 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1xxr h LEU 102 CO -0.00 0.13 -0.46 0.00 0.09 0.00 0.00 178.44 178.19 1xxr n ALA 103 N -2.19 -0.50 -0.09 1.53 0.00 -0.46 -4.88 120.51 113.92 1xxr n ALA 103 Ca -0.00 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1xxr n ALA 103 Cb 0.33 -2.06 -0.15 0.00 0.00 0.00 0.00 19.45 17.58 1xxr n ALA 103 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xxr n THR 104 N -3.59 1.29 -1.00 0.00 -2.24 -1.26 -4.99 114.28 102.49 1xxr n THR 104 Ca -0.22 -0.78 -0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1xxr n THR 104 Cb 0.67 -0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1xxr n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxr n GLY 105 N 1.87 0.42 3.63 3.38 0.00 -1.26 -5.02 105.19 108.21 1xxr n GLY 105 Ca -0.31 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1xxr n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxr s LYS 106 N -0.40 2.33 0.48 1.61 1.02 -1.26 -4.93 119.74 118.59 1xxr s LYS 106 Ca 0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 55.97 54.83 1xxr s LYS 106 Cb 0.00 -2.42 -0.07 0.00 -0.52 0.00 0.00 37.83 34.82 1xxr s LYS 106 CO 0.00 0.52 1.20 -0.51 -0.92 0.00 0.00 175.35 175.64 1xxr s ASP 107 N -2.26 5.97 0.27 2.83 1.01 -1.26 -4.25 116.67 118.97 1xxr s ASP 107 Ca 0.23 2.39 0.03 0.00 0.71 0.00 0.00 52.55 55.91 1xxr s ASP 107 Cb -0.11 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1xxr s ASP 107 CO 0.16 -1.06 0.19 0.68 0.21 0.00 0.00 175.17 175.35 1xxr s VAL 108 N -1.51 0.04 -0.62 -1.27 -7.23 -0.32 -1.66 120.40 107.84 1xxr s VAL 108 Ca 0.66 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.57 1xxr s VAL 108 Cb -0.31 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.17 1xxr s VAL 108 CO 0.37 0.00 1.09 -0.63 -0.31 0.00 0.00 175.10 175.62 1xxr s ILE 109 N -3.80 4.12 0.14 -0.62 -1.09 0.58 -1.48 121.20 119.06 1xxr s ILE 109 Ca 0.39 0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 59.18 1xxr s ILE 109 Cb 0.05 -4.70 -0.18 0.00 -1.58 0.00 0.00 42.46 36.05 1xxr s ILE 109 CO 0.19 -1.40 1.32 0.03 -1.23 0.00 0.00 174.94 173.85 1xxr h ARG 110 N 9.58 0.32 -3.67 2.79 2.47 -1.09 -1.93 114.38 122.86 1xxr h ARG 110 Ca -0.27 -0.36 -0.08 0.00 -1.26 0.00 0.00 59.98 58.02 1xxr h ARG 110 Cb 1.06 0.11 -0.14 0.00 -1.65 0.00 0.00 29.97 29.35 1xxr h ARG 110 CO 1.17 1.06 -0.28 0.45 0.56 0.00 0.00 179.97 182.93 1xxr s SER 111 N -7.03 0.01 -0.11 7.04 0.15 -1.10 -1.09 113.70 111.56 1xxr s SER 111 Ca -0.05 -0.53 -0.10 0.00 0.70 0.00 0.00 55.95 55.97 1xxr s SER 111 Cb 0.09 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1xxr s SER 111 CO 0.85 -0.76 0.30 -0.22 1.20 0.00 0.00 173.24 174.62 1xxr s LEU 112 N -2.80 0.82 -0.04 3.45 2.96 -0.74 -2.18 118.68 120.15 1xxr s LEU 112 Ca 0.04 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 1xxr s LEU 112 Cb 0.04 1.03 0.01 0.00 0.50 0.00 0.00 46.19 47.76 1xxr s LEU 112 CO -0.11 -0.11 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.84 1xxr s THR 113 N 0.22 0.78 -0.17 3.68 2.01 0.95 -0.90 115.64 122.21 1xxr s THR 113 Ca -0.01 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1xxr s THR 113 Cb -0.02 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1xxr s THR 113 CO -0.00 0.26 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.67 1xxr s PHE 114 N 0.41 2.80 -0.20 4.92 0.40 0.27 -1.62 117.98 124.96 1xxr s PHE 114 Ca -0.07 -1.28 -0.01 0.00 -0.60 0.00 0.00 56.93 54.97 1xxr s PHE 114 Cb -0.11 -1.93 0.01 0.00 0.51 0.00 0.00 43.02 41.50 1xxr s PHE 114 CO 0.01 -0.63 -0.13 0.21 0.70 0.00 0.00 175.22 175.38 1xxr s LYS 115 N 1.12 3.16 0.59 0.44 2.20 -0.13 0.70 119.74 127.81 1xxr s LYS 115 Ca 0.00 -0.74 0.08 0.00 -0.36 0.00 0.00 55.97 54.96 1xxr s LYS 115 Cb -0.14 -2.75 0.08 0.00 -1.51 0.00 0.00 37.83 33.51 1xxr s LYS 115 CO -0.06 -0.20 0.70 0.25 -0.36 0.00 0.00 175.35 175.68 1xxr n THR 116 N 4.68 0.00 1.11 3.43 -2.24 -0.09 -0.11 114.28 121.05 1xxr n THR 116 Ca -0.20 -2.07 0.11 0.00 -2.27 0.00 0.00 64.05 59.63 1xxr n THR 116 Cb 0.50 -0.35 0.59 0.00 -2.10 0.00 0.00 70.33 68.97 1xxr n THR 116 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xxr n ASN 117 N -2.16 0.00 -0.09 3.42 6.94 -0.79 -3.71 115.26 118.88 1xxr n ASN 117 Ca 0.11 -0.08 -0.15 0.00 -0.02 0.00 0.00 54.58 54.44 1xxr n ASN 117 Cb 0.62 -0.27 -0.08 0.00 -2.36 0.00 0.00 39.78 37.70 1xxr n ASN 117 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xxr n LYS 118 N -1.27 0.42 -3.68 -3.83 4.01 -1.26 -5.05 118.16 107.50 1xxr n LYS 118 Ca 0.11 0.13 -0.08 0.00 -0.51 0.00 0.00 58.31 57.96 1xxr n LYS 118 Cb 0.18 -1.29 0.03 0.00 -0.51 0.00 0.00 35.03 33.44 1xxr n LYS 118 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1xxr n LYS 119 N -3.30 1.08 -4.73 1.97 2.85 -1.24 -5.16 118.16 109.63 1xxr n LYS 119 Ca -0.33 -2.12 -0.33 0.00 -1.05 0.00 0.00 58.31 54.48 1xxr n LYS 119 Cb 0.81 2.66 -0.13 0.00 -0.65 0.00 0.00 35.03 37.71 1xxr n LYS 119 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xxr s THR 120 N -2.13 3.28 -0.19 0.58 2.01 -1.26 -0.91 115.64 117.01 1xxr s THR 120 Ca 0.16 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1xxr s THR 120 Cb -0.05 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1xxr s THR 120 CO 0.11 0.55 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.20 1xxr s TYR 121 N -0.11 2.91 0.00 4.92 1.51 0.22 -5.00 117.35 121.80 1xxr s TYR 121 Ca -0.01 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.10 1xxr s TYR 121 Cb -0.14 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 1xxr s TYR 121 CO 0.03 -0.50 0.00 0.41 -1.11 0.00 0.00 175.55 174.39 1xxr n GLY 122 N 4.47 -0.76 3.76 0.71 0.00 -1.26 -0.57 105.19 111.54 1xxr n GLY 122 Ca -0.19 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.29 1xxr n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xxr s PRO 123 N 0.00 3.41 -0.01 1.61 0.04 -1.26 -4.97 135.00 133.81 1xxr s PRO 123 Ca 0.00 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.16 1xxr s PRO 123 Cb 0.00 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1xxr s PRO 123 CO 0.00 -0.93 -0.13 0.71 0.04 0.00 0.00 177.00 176.69 1xxr s TYR 124 N -1.39 2.72 0.00 0.56 2.02 -0.08 -4.97 117.35 116.22 1xxr s TYR 124 Ca 0.68 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 1xxr s TYR 124 Cb -0.36 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1xxr s TYR 124 CO 0.43 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 175.08 1xxr n GLY 125 N 1.90 0.03 3.07 0.71 0.00 -1.26 -1.78 105.19 107.85 1xxr n GLY 125 Ca -0.16 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1xxr n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxr s LYS 126 N 0.00 2.28 -1.35 1.61 1.02 -0.25 -4.88 119.74 118.18 1xxr s LYS 126 Ca 0.00 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.25 1xxr s LYS 126 Cb 0.00 -1.93 0.07 0.00 -0.52 0.00 0.00 37.83 35.45 1xxr s LYS 126 CO 0.00 -0.06 1.89 0.39 -0.92 0.00 0.00 175.35 176.65 1xxr n GLU 127 N 4.20 3.12 -4.28 1.68 1.02 -1.26 -3.64 120.64 121.48 1xxr n GLU 127 Ca -0.19 -3.11 -0.17 0.00 -0.02 0.00 0.00 57.16 53.66 1xxr n GLU 127 Cb 0.51 -3.36 -0.14 0.00 -0.02 0.00 0.00 31.44 28.43 1xxr n GLU 127 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xxr s GLU 128 N 3.44 0.62 0.00 3.49 2.02 -1.26 -5.07 118.70 121.94 1xxr s GLU 128 Ca 0.50 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1xxr s GLU 128 Cb 0.07 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.71 1xxr s GLU 128 CO 0.01 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1xxr n GLY 129 N 2.79 0.31 3.59 -1.39 0.00 -1.26 -4.43 105.19 104.80 1xxr n GLY 129 Ca -0.14 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1xxr n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxr s THR 130 N 0.00 5.20 0.80 2.61 2.01 0.80 -4.86 115.64 122.20 1xxr s THR 130 Ca 0.00 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 1xxr s THR 130 Cb 0.00 -3.46 0.07 0.00 0.01 0.00 0.00 72.50 69.12 1xxr s THR 130 CO 0.00 0.29 1.09 -2.16 -0.69 0.00 0.00 174.62 173.15 1xxr s PRO 131 N 1.53 2.06 0.02 4.92 0.04 -1.26 -0.53 135.00 141.78 1xxr s PRO 131 Ca 0.07 0.93 -0.23 0.00 0.04 0.00 0.00 61.00 61.81 1xxr s PRO 131 Cb -0.15 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1xxr s PRO 131 CO 0.08 -1.71 0.52 -0.59 0.04 0.00 0.00 177.00 175.34 1xxr s PHE 132 N -2.98 -0.44 -0.08 0.56 -0.12 -0.27 -4.86 117.98 109.79 1xxr s PHE 132 Ca 0.61 0.56 -0.29 0.00 -0.05 0.00 0.00 56.93 57.76 1xxr s PHE 132 Cb -0.16 0.32 0.07 0.00 -0.63 0.00 0.00 43.02 42.62 1xxr s PHE 132 CO 0.56 -0.61 0.65 -1.54 -0.05 0.00 0.00 175.22 174.23 1xxr s SER 133 N -1.76 -0.63 -0.48 1.98 1.04 -1.26 -0.98 113.70 111.60 1xxr s SER 133 Ca -0.07 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.15 1xxr s SER 133 Cb -0.01 0.65 0.15 0.00 0.10 0.00 0.00 66.02 66.90 1xxr s SER 133 CO 0.01 -0.54 0.31 -0.22 0.98 0.00 0.00 173.24 173.78 1xxr s LEU 134 N -0.98 2.82 0.36 2.42 2.96 0.11 -4.98 118.68 121.40 1xxr s LEU 134 Ca -0.10 -2.95 -0.25 0.00 -0.22 0.00 0.00 54.13 50.62 1xxr s LEU 134 Cb -0.01 -1.02 -0.10 0.00 0.50 0.00 0.00 46.19 45.56 1xxr s LEU 134 CO 0.08 -0.21 1.00 -2.84 -1.32 0.00 0.00 176.35 173.06 1xxr s PRO 135 N -0.05 4.37 -0.09 0.98 0.02 -1.26 -2.60 135.00 136.37 1xxr s PRO 135 Ca 0.22 1.41 0.02 0.00 0.02 0.00 0.00 61.00 62.67 1xxr s PRO 135 Cb -0.15 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.74 1xxr s PRO 135 CO -0.07 0.07 -0.15 0.42 -0.33 0.00 0.00 177.00 176.93 1xxr s ILE 136 N -1.67 1.42 -0.20 2.83 1.01 0.75 -4.95 121.20 120.39 1xxr s ILE 136 Ca 0.54 -0.62 0.15 0.00 0.00 0.00 0.00 60.65 60.72 1xxr s ILE 136 Cb -0.20 -1.29 -0.24 0.00 0.01 0.00 0.00 42.46 40.75 1xxr s ILE 136 CO 0.25 0.42 0.05 -0.62 0.00 0.00 0.00 174.94 175.04 1xxr n GLU 137 N 3.96 0.68 -3.69 2.79 1.02 -1.26 -4.80 120.64 119.34 1xxr n GLU 137 Ca -0.20 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.85 1xxr n GLU 137 Cb 0.52 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 30.29 1xxr n GLU 137 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1xxr s ASN 138 N -5.68 -0.27 0.00 1.62 2.47 -1.26 -5.12 114.94 106.69 1xxr s ASN 138 Ca -0.14 0.77 0.00 0.00 0.42 0.00 0.00 52.86 53.91 1xxr s ASN 138 Cb 0.07 0.77 0.00 0.00 -1.45 0.00 0.00 41.25 40.63 1xxr s ASN 138 CO 0.79 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 174.58 1xxr n GLY 139 N 4.62 -0.15 3.08 1.21 0.00 -1.26 -4.97 105.19 107.73 1xxr n GLY 139 Ca -0.19 -2.29 -0.09 0.00 0.00 0.00 0.00 46.02 43.46 1xxr n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxr s LEU 140 N 0.00 2.02 -0.17 0.99 1.43 0.11 -4.97 118.68 118.09 1xxr s LEU 140 Ca 0.00 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 1xxr s LEU 140 Cb 0.00 0.43 -0.01 0.00 0.03 0.00 0.00 46.19 46.63 1xxr s LEU 140 CO 0.00 -0.48 0.84 -0.63 0.23 0.00 0.00 176.35 176.31 1xxr s ILE 141 N -2.61 4.87 -0.15 -0.59 1.01 -1.26 -1.27 121.20 121.19 1xxr s ILE 141 Ca -0.05 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.27 1xxr s ILE 141 Cb -0.01 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.36 1xxr s ILE 141 CO -0.05 0.01 1.01 1.33 0.00 0.00 0.00 174.94 177.25 1xxr n VAL 142 N 4.78 0.95 -3.63 2.92 0.24 0.40 -4.59 118.33 119.39 1xxr n VAL 142 Ca 0.05 -0.97 -0.03 0.00 -2.04 0.00 0.00 64.34 61.34 1xxr n VAL 142 Cb 0.49 0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 33.34 1xxr n VAL 142 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1xxr s GLY 143 N -0.95 0.01 0.18 7.63 0.00 -1.21 -0.28 107.32 112.69 1xxr s GLY 143 Ca 0.04 2.61 0.10 0.00 0.00 0.00 0.00 44.72 47.47 1xxr s GLY 143 CO 0.02 1.04 -0.20 -1.36 0.00 0.00 0.00 173.10 172.61 1xxr s PHE 144 N -1.16 2.41 0.18 1.90 0.08 -1.26 -0.62 117.98 119.52 1xxr s PHE 144 Ca 0.08 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.71 1xxr s PHE 144 Cb -0.01 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 1xxr s PHE 144 CO -0.06 0.48 0.33 -1.59 -0.10 0.00 0.00 175.22 174.28 1xxr s LYS 145 N -2.61 1.24 0.00 0.44 -2.85 -0.81 -1.33 119.74 113.83 1xxr s LYS 145 Ca 0.21 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1xxr s LYS 145 Cb -0.09 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1xxr s LYS 145 CO 0.11 -0.47 0.00 0.41 0.10 0.00 0.00 175.35 175.50 1xxr n GLY 146 N -0.26 -0.59 2.99 0.59 0.00 -0.33 0.24 105.19 107.84 1xxr n GLY 146 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1xxr n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxr s ARG 147 N -1.16 0.14 0.01 1.61 0.52 -0.79 -0.69 118.95 118.58 1xxr s ARG 147 Ca 0.00 0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1xxr s ARG 147 Cb 0.00 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 1xxr s ARG 147 CO 0.00 -0.03 0.01 -1.12 0.02 0.00 0.00 175.30 174.17 1xxr s SER 148 N 0.18 0.12 0.00 0.23 0.01 -0.52 0.25 113.70 113.97 1xxr s SER 148 Ca -0.01 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1xxr s SER 148 Cb -0.02 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1xxr s SER 148 CO -0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1xxr n GLY 149 N 2.14 2.44 0.12 3.44 0.00 -1.26 -0.51 105.19 111.56 1xxr n GLY 149 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1xxr n GLY 149 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xxr h PHE 150 N 0.00 0.00 -3.78 1.61 -1.00 -1.91 -3.38 116.94 108.48 1xxr h PHE 150 Ca 0.00 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 1xxr h PHE 150 Cb 0.00 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.49 1xxr h PHE 150 CO 0.00 0.61 -0.28 1.33 -1.61 0.00 0.00 178.31 178.36 1xxr n VAL 151 N -3.26 0.00 -2.69 -0.55 0.24 -1.26 -0.93 118.33 109.88 1xxr n VAL 151 Ca 0.02 -1.43 -0.43 0.00 -2.04 0.00 0.00 64.34 60.46 1xxr n VAL 151 Cb 0.78 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1xxr n VAL 151 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1xxr s VAL 152 N -2.71 4.35 0.08 3.34 1.01 0.02 -4.37 120.40 122.11 1xxr s VAL 152 Ca 0.21 1.12 -0.13 0.00 0.00 0.00 0.00 61.98 63.17 1xxr s VAL 152 Cb 0.01 -4.51 -0.24 0.00 0.00 0.00 0.00 36.38 31.64 1xxr s VAL 152 CO 0.15 -0.86 1.18 0.44 0.00 0.00 0.00 175.10 176.00 1xxr h ASP 153 N 9.01 0.88 -5.13 3.32 3.32 -0.52 0.17 116.42 127.46 1xxr h ASP 153 Ca -0.23 -0.73 -0.05 0.00 0.02 0.00 0.00 57.03 56.05 1xxr h ASP 153 Cb 1.07 -0.27 -0.11 0.00 0.22 0.00 0.00 39.33 40.24 1xxr h ASP 153 CO 1.07 1.53 -0.08 0.00 -1.72 0.00 0.00 179.24 180.05 1xxr s ALA 154 N -3.24 -0.68 -0.03 3.45 0.00 -0.96 -1.46 121.76 118.84 1xxr s ALA 154 Ca -0.09 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1xxr s ALA 154 Cb 0.07 0.84 0.03 0.00 0.00 0.00 0.00 23.12 24.05 1xxr s ALA 154 CO 0.92 -0.75 0.34 -1.50 0.00 0.00 0.00 175.76 174.78 1xxr s ILE 155 N -3.89 0.05 0.26 0.00 2.07 -0.47 -1.89 121.20 117.32 1xxr s ILE 155 Ca 0.11 -0.39 -0.08 0.00 -1.41 0.00 0.00 60.65 58.88 1xxr s ILE 155 Cb 0.00 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 1xxr s ILE 155 CO -0.03 -0.21 0.39 -0.83 -1.91 0.00 0.00 174.94 172.35 1xxr s GLY 156 N -1.16 0.96 0.04 1.50 0.00 0.14 -1.50 107.32 107.31 1xxr s GLY 156 Ca -0.12 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1xxr s GLY 156 CO 0.04 -0.90 -0.07 -1.36 0.00 0.00 0.00 173.10 170.82 1xxr s PHE 157 N -3.85 0.62 -0.17 1.90 0.40 -0.29 -1.92 117.98 114.66 1xxr s PHE 157 Ca 0.28 -0.55 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1xxr s PHE 157 Cb 0.01 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 43.13 1xxr s PHE 157 CO 0.12 -0.11 0.08 -1.01 0.70 0.00 0.00 175.22 175.00 1xxr s HIS 158 N -1.65 3.32 0.15 0.36 3.76 0.21 -1.09 115.29 120.36 1xxr s HIS 158 Ca -0.09 0.18 0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1xxr s HIS 158 Cb -0.08 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1xxr s HIS 158 CO -0.01 0.27 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.41 1xxr s LEU 159 N 0.14 2.50 0.08 0.89 1.43 0.20 -0.45 118.68 123.46 1xxr s LEU 159 Ca 0.06 -0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 52.18 1xxr s LEU 159 Cb -0.12 -1.31 0.06 0.00 0.03 0.00 0.00 46.19 44.86 1xxr s LEU 159 CO 0.00 0.15 0.58 -0.55 0.23 0.00 0.00 176.35 176.76 1xxr s SER 160 N -2.37 -0.52 0.00 2.29 0.15 -0.40 -2.90 113.70 109.95 1xxr s SER 160 Ca 0.18 0.17 0.31 0.00 0.70 0.00 0.00 55.95 57.31 1xxr s SER 160 Cb -0.09 0.55 1.69 0.00 -1.71 0.00 0.00 66.02 66.46 1xxr s SER 160 CO 0.09 -0.82 2.11 0.18 1.20 0.00 0.00 173.24 176.00