#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xzk n THR 18 N 0.00 0.12 -3.82 5.15 -2.24 -1.26 -4.62 114.28 107.61 1xzk n THR 18 Ca 0.00 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 1xzk n THR 18 Cb 0.00 0.26 -0.17 0.00 -2.10 0.00 0.00 70.33 68.32 1xzk n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xzk s THR 19 N -1.88 0.59 -0.05 4.28 2.01 -1.26 -0.78 115.64 118.55 1xzk s THR 19 Ca 0.34 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1xzk s THR 19 Cb 0.18 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1xzk s THR 19 CO 0.28 0.30 0.01 -0.13 -0.69 0.00 0.00 174.62 174.38 1xzk s ARG 20 N 1.88 0.39 -0.27 4.92 1.81 -1.26 -4.98 118.95 121.44 1xzk s ARG 20 Ca 0.05 0.13 0.12 0.00 -1.72 0.00 0.00 55.73 54.31 1xzk s ARG 20 Cb -0.12 -0.71 0.47 0.00 -0.45 0.00 0.00 34.95 34.14 1xzk s ARG 20 CO -0.06 -0.23 1.17 -0.25 -0.68 0.00 0.00 175.30 175.25 1xzk n ASP 21 N 4.74 3.77 -0.27 0.23 8.00 -1.25 -1.94 116.55 129.83 1xzk n ASP 21 Ca -0.14 -3.23 0.02 0.00 0.71 0.00 0.00 54.79 52.15 1xzk n ASP 21 Cb 0.50 -0.39 0.15 0.00 -0.02 0.00 0.00 41.12 41.36 1xzk n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xzk h ASP 22 N 2.24 0.57 0.06 -2.24 3.32 -1.78 0.65 116.42 119.24 1xzk h ASP 22 Ca 0.20 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xzk h ASP 22 Cb 1.45 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1xzk h ASP 22 CO 0.55 0.33 -0.03 0.25 -1.72 0.00 0.00 179.24 178.62 1xzk h LEU 23 N 0.70 -0.07 -1.10 1.55 5.85 -1.91 -0.94 115.31 119.38 1xzk h LEU 23 Ca 0.37 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1xzk h LEU 23 Cb 0.35 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1xzk h LEU 23 CO -0.25 0.31 0.61 0.40 -0.34 0.00 0.00 178.44 179.17 1xzk h ILE 24 N -0.45 0.99 -0.01 4.05 1.08 -1.82 -0.61 117.51 120.73 1xzk h ILE 24 Ca -0.01 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1xzk h ILE 24 Cb 0.40 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1xzk h ILE 24 CO 0.01 0.18 -0.16 0.59 -0.69 0.00 0.00 178.15 178.08 1xzk n ASN 25 N -4.54 0.98 -4.49 1.72 3.02 0.18 -4.94 115.26 107.19 1xzk n ASN 25 Ca 0.16 -0.96 -0.25 0.00 -0.03 0.00 0.00 54.58 53.50 1xzk n ASN 25 Cb 0.29 0.06 0.14 0.00 -0.61 0.00 0.00 39.78 39.65 1xzk n ASN 25 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xzk s GLY 26 N -2.37 1.76 0.22 7.41 0.00 -0.24 -5.05 107.32 109.06 1xzk s GLY 26 Ca 0.29 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1xzk s GLY 26 CO 0.47 -1.05 0.53 0.54 0.00 0.00 0.00 173.10 173.58 1xzk s ASN 27 N -4.83 -0.20 0.30 1.64 2.20 -1.26 -5.01 114.94 107.78 1xzk s ASN 27 Ca 0.70 -0.65 0.06 0.00 -0.94 0.00 0.00 52.86 52.03 1xzk s ASN 27 Cb -0.04 0.60 0.74 0.00 -2.00 0.00 0.00 41.25 40.55 1xzk s ASN 27 CO 0.47 -1.12 1.78 0.28 -2.94 0.00 0.00 177.10 175.57 1xzk h SER 28 N 2.20 0.79 -0.00 3.54 0.02 -1.96 -1.37 113.55 116.76 1xzk h SER 28 Ca -0.26 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1xzk h SER 28 Cb 1.25 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1xzk h SER 28 CO 0.35 0.28 -0.09 0.00 -1.14 0.00 0.00 176.83 176.23 1xzk h ALA 29 N 1.65 1.59 -0.30 3.77 0.00 -1.97 -2.96 119.26 121.03 1xzk h ALA 29 Ca 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1xzk h ALA 29 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xzk h ALA 29 CO -0.38 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 1xzk n SER 30 N -4.32 3.42 -4.46 0.00 3.41 -0.59 -5.05 113.62 106.02 1xzk n SER 30 Ca -0.01 -2.54 -0.53 0.00 -0.26 0.00 0.00 58.87 55.54 1xzk n SER 30 Cb 0.23 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 1xzk n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xzk s ALA 32 N -0.47 3.38 -0.26 0.00 0.00 -1.26 -5.00 121.76 118.15 1xzk s ALA 32 Ca 0.77 -0.92 0.20 0.00 0.00 0.00 0.00 51.96 52.01 1xzk s ALA 32 Cb -1.08 -2.47 0.08 0.00 0.00 0.00 0.00 23.12 19.65 1xzk s ALA 32 CO 0.56 -0.95 1.22 -0.44 0.00 0.00 0.00 175.76 176.15 1xzk h ASP 33 N -0.25 0.00 -3.63 0.00 3.32 -1.79 -3.43 116.42 110.64 1xzk h ASP 33 Ca -0.44 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.16 1xzk h ASP 33 Cb 1.29 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.51 1xzk h ASP 33 CO 0.59 0.19 -0.79 -0.69 -1.72 0.00 0.00 179.24 176.82 1xzk s VAL 34 N -3.17 0.83 -0.13 -1.35 1.01 -1.10 -1.26 120.40 115.22 1xzk s VAL 34 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1xzk s VAL 34 Cb 0.08 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1xzk s VAL 34 CO 0.75 0.27 -0.13 -0.63 0.00 0.00 0.00 175.10 175.36 1xzk s ILE 35 N 0.49 1.46 -0.21 2.22 1.01 -0.58 -0.47 121.20 125.13 1xzk s ILE 35 Ca -0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1xzk s ILE 35 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1xzk s ILE 35 CO 0.01 0.44 0.01 0.12 0.00 0.00 0.00 174.94 175.52 1xzk s PHE 36 N 1.37 3.04 -0.16 3.97 5.36 0.28 -1.30 117.98 130.55 1xzk s PHE 36 Ca 0.01 -0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1xzk s PHE 36 Cb -0.13 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.43 1xzk s PHE 36 CO -0.08 -0.27 -0.12 0.42 -1.46 0.00 0.00 175.22 173.72 1xzk s ILE 37 N 1.09 3.03 0.01 3.12 1.01 -0.62 -0.98 121.20 127.86 1xzk s ILE 37 Ca 0.02 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1xzk s ILE 37 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1xzk s ILE 37 CO 0.02 0.50 -0.10 -0.47 0.00 0.00 0.00 174.94 174.89 1xzk s TYR 38 N 0.70 0.85 -0.16 3.97 5.04 0.07 -2.19 117.35 125.64 1xzk s TYR 38 Ca -0.06 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 1xzk s TYR 38 Cb -0.15 -0.53 0.00 0.00 0.35 0.00 0.00 41.96 41.63 1xzk s TYR 38 CO 0.02 -0.01 -0.17 0.00 -1.34 0.00 0.00 175.55 174.05 1xzk s ALA 39 N -0.44 2.42 0.96 3.97 0.00 -0.74 0.57 121.76 128.50 1xzk s ALA 39 Ca 0.02 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 1xzk s ALA 39 Cb -0.05 -1.19 0.17 0.00 0.00 0.00 0.00 23.12 22.06 1xzk s ALA 39 CO 0.00 -0.11 1.20 -0.98 0.00 0.00 0.00 175.76 175.86 1xzk s ARG 40 N 0.94 0.75 0.64 0.00 1.70 -1.26 -1.93 118.95 119.79 1xzk s ARG 40 Ca -0.03 -0.01 -0.05 0.00 -0.47 0.00 0.00 55.73 55.17 1xzk s ARG 40 Cb -0.15 -1.82 0.04 0.00 -0.57 0.00 0.00 34.95 32.45 1xzk s ARG 40 CO -0.03 -2.41 0.93 0.20 -1.08 0.00 0.00 175.30 172.92 1xzk s GLY 41 N -4.36 1.67 0.27 3.88 0.00 -1.21 -2.80 107.32 104.78 1xzk s GLY 41 Ca 0.68 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 1xzk s GLY 41 CO 0.53 -0.57 1.50 1.44 0.00 0.00 0.00 173.10 176.01 1xzk n SER 42 N -2.71 3.33 0.00 1.64 7.64 -1.26 -1.85 113.62 120.42 1xzk n SER 42 Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1xzk n SER 42 Cb 0.59 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1xzk n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xzk n THR 43 N 1.97 0.00 -1.93 0.44 -2.24 -0.06 -5.00 114.28 107.46 1xzk n THR 43 Ca 0.10 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 1xzk n THR 43 Cb 0.34 -0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1xzk n THR 43 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xzk s GLU 44 N -0.73 3.18 0.54 -0.78 2.02 -0.77 -5.04 118.70 117.12 1xzk s GLU 44 Ca 0.00 1.20 -0.14 0.00 0.02 0.00 0.00 54.97 56.04 1xzk s GLU 44 Cb 0.00 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 32.15 1xzk s GLU 44 CO 0.00 -0.93 0.99 0.99 0.02 0.00 0.00 175.26 176.33 1xzk s THR 45 N -2.52 4.61 0.00 3.63 2.01 -1.26 -4.85 115.64 117.26 1xzk s THR 45 Ca 0.63 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.69 1xzk s THR 45 Cb -0.16 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1xzk s THR 45 CO 0.40 -0.84 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 1xzk n GLY 46 N -1.97 1.37 0.31 4.40 0.00 -1.26 -1.45 105.19 106.60 1xzk n GLY 46 Ca 0.06 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.59 1xzk n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xzk n ASN 47 N -2.42 1.75 -0.00 1.61 2.04 0.04 -4.64 115.26 113.63 1xzk n ASN 47 Ca 0.00 -1.40 0.03 0.00 -0.44 0.00 0.00 54.58 52.78 1xzk n ASN 47 Cb 0.00 -0.02 -0.06 0.00 -2.53 0.00 0.00 39.78 37.17 1xzk n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1xzk n LEU 48 N 0.38 0.00 0.00 -4.53 4.77 -0.44 -3.55 117.00 113.63 1xzk n LEU 48 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1xzk n LEU 48 Cb 0.21 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1xzk n LEU 48 CO 0.05 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1xzk n GLY 49 N 2.11 0.77 0.12 -0.72 0.00 -0.53 -2.39 105.19 104.55 1xzk n GLY 49 Ca -0.02 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1xzk n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xzk h THR 50 N 0.00 1.45 0.08 2.61 1.35 -1.97 -3.39 112.91 113.04 1xzk h THR 50 Ca 0.00 -2.86 -0.31 0.00 -0.55 0.00 0.00 66.41 62.70 1xzk h THR 50 Cb 0.00 2.82 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 1xzk h THR 50 CO 0.00 0.84 -1.62 -0.07 -0.25 0.00 0.00 175.52 174.42 1xzk h LEU 51 N 0.13 0.27 -0.52 3.87 3.38 -1.98 -3.40 115.31 117.06 1xzk h LEU 51 Ca -0.13 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.49 1xzk h LEU 51 Cb 1.89 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.47 1xzk h LEU 51 CO 0.20 1.38 0.01 1.23 0.09 0.00 0.00 178.44 181.35 1xzk h GLY 52 N 2.12 0.54 1.52 0.83 0.00 -1.66 -2.63 103.07 103.78 1xzk h GLY 52 Ca -0.27 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1xzk h GLY 52 CO 0.13 -0.14 0.20 -2.55 0.00 0.00 0.00 176.54 174.18 1xzk h PRO 53 N 0.12 0.63 -0.42 4.80 0.11 -1.78 -1.42 132.00 134.04 1xzk h PRO 53 Ca 0.26 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1xzk h PRO 53 Cb 0.40 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1xzk h PRO 53 CO -0.43 0.51 0.13 0.77 -0.21 0.00 0.00 178.00 178.77 1xzk h SER 54 N 0.63 0.60 -0.25 -2.05 0.02 -1.70 -0.65 113.55 110.16 1xzk h SER 54 Ca 0.16 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1xzk h SER 54 Cb 0.09 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1xzk h SER 54 CO -0.02 0.65 0.15 0.40 -1.14 0.00 0.00 176.83 176.87 1xzk h ILE 55 N 0.53 1.09 -0.49 3.27 2.04 -1.34 -2.88 117.51 119.74 1xzk h ILE 55 Ca 0.13 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1xzk h ILE 55 Cb 0.25 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1xzk h ILE 55 CO -0.00 0.09 0.10 0.00 0.00 0.00 0.00 178.15 178.33 1xzk h ALA 56 N 1.05 0.55 -0.93 1.87 0.00 -1.01 -1.14 119.26 119.66 1xzk h ALA 56 Ca 0.09 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1xzk h ALA 56 Cb 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1xzk h ALA 56 CO -0.02 -0.31 0.57 0.77 0.00 0.00 0.00 179.25 180.26 1xzk h SER 57 N 0.23 0.86 -0.20 0.00 0.02 -0.91 -0.59 113.55 112.95 1xzk h SER 57 Ca 0.25 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1xzk h SER 57 Cb 0.33 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1xzk h SER 57 CO -0.33 0.50 -0.08 0.78 -1.14 0.00 0.00 176.83 176.57 1xzk h ASN 58 N 0.97 0.42 -0.48 3.07 2.35 -1.17 -2.64 115.58 118.11 1xzk h ASN 58 Ca 0.43 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1xzk h ASN 58 Cb 0.33 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1xzk h ASN 58 CO -0.23 0.72 0.27 -0.07 -1.65 0.00 0.00 177.43 176.48 1xzk h LEU 59 N 0.12 0.44 -2.03 1.61 3.38 -0.66 -1.96 115.31 116.20 1xzk h LEU 59 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xzk h LEU 59 Cb 0.55 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xzk h LEU 59 CO 0.03 0.31 -0.09 -0.33 0.09 0.00 0.00 178.44 178.44 1xzk h GLU 60 N 0.55 0.00 0.16 1.13 5.08 -1.11 0.75 114.58 121.14 1xzk h GLU 60 Ca 0.19 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.31 1xzk h GLU 60 Cb 0.03 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.31 1xzk h GLU 60 CO -0.10 0.09 -1.07 0.77 -1.00 0.00 0.00 179.01 177.71 1xzk h SER 61 N 0.00 0.66 0.12 1.42 0.02 -1.04 -3.29 113.55 111.43 1xzk h SER 61 Ca -0.00 -0.91 -0.01 0.00 -0.84 0.00 0.00 61.79 60.04 1xzk h SER 61 Cb 0.23 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1xzk h SER 61 CO 0.01 1.51 -0.06 0.00 -1.14 0.00 0.00 176.83 177.16 1xzk h ALA 62 N 0.15 -0.16 -2.01 3.77 0.00 -0.85 -3.42 119.26 116.74 1xzk h ALA 62 Ca -0.18 -0.15 -0.48 0.00 0.00 0.00 0.00 54.91 54.10 1xzk h ALA 62 Cb 1.82 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1xzk h ALA 62 CO 0.20 -0.45 -0.45 -0.06 0.00 0.00 0.00 179.25 178.49 1xzk s PHE 63 N -5.05 3.11 0.95 0.00 0.08 0.21 -5.10 117.98 112.17 1xzk s PHE 63 Ca -0.15 -0.18 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 1xzk s PHE 63 Cb 0.03 -1.67 0.22 0.00 -0.57 0.00 0.00 43.02 41.03 1xzk s PHE 63 CO 0.63 0.30 1.24 0.41 -0.10 0.00 0.00 175.22 177.70 1xzk n GLY 64 N -1.37 -1.59 0.32 4.36 0.00 -1.25 -4.21 105.19 101.44 1xzk n GLY 64 Ca -0.05 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.38 1xzk n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xzk h LYS 65 N 0.00 0.33 0.00 1.61 1.79 -1.91 -0.38 116.57 118.01 1xzk h LYS 65 Ca -0.41 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1xzk h LYS 65 Cb 1.13 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1xzk h LYS 65 CO 0.29 0.22 -0.05 -0.44 -1.08 0.00 0.00 179.45 178.38 1xzk h ASP 66 N 0.34 0.00 -0.14 0.86 3.32 -1.92 -3.28 116.42 115.60 1xzk h ASP 66 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xzk h ASP 66 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1xzk h ASP 66 CO -0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 1xzk n GLY 67 N 1.14 0.26 3.22 2.75 0.00 -0.16 -4.58 105.19 107.82 1xzk n GLY 67 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1xzk n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xzk s VAL 68 N -1.83 -0.02 -0.18 1.61 0.11 -1.19 -2.72 120.40 116.19 1xzk s VAL 68 Ca 0.34 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.39 1xzk s VAL 68 Cb 0.18 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1xzk s VAL 68 CO 0.28 0.02 0.00 0.26 -3.33 0.00 0.00 175.10 172.34 1xzk s TRP 69 N 0.78 3.10 -0.20 1.54 0.51 0.38 -4.90 118.94 120.15 1xzk s TRP 69 Ca -0.05 -0.22 -0.06 0.00 -2.12 0.00 0.00 56.10 53.66 1xzk s TRP 69 Cb -0.06 -2.03 -0.03 0.00 -0.81 0.00 0.00 33.47 30.54 1xzk s TRP 69 CO -0.06 -0.03 0.02 0.42 -0.51 0.00 0.00 176.95 176.80 1xzk s ILE 70 N 0.54 4.25 -0.09 2.03 1.09 -1.26 -0.56 121.20 127.19 1xzk s ILE 70 Ca -0.01 -0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.32 1xzk s ILE 70 Cb -0.14 -2.92 0.03 0.00 -1.06 0.00 0.00 42.46 38.37 1xzk s ILE 70 CO 0.02 0.43 -0.00 -1.58 -0.10 0.00 0.00 174.94 173.71 1xzk s GLN 71 N 0.82 0.73 0.43 2.79 2.00 -0.15 -1.93 119.66 124.35 1xzk s GLN 71 Ca 0.02 -0.01 -0.04 0.00 -2.00 0.00 0.00 55.36 53.33 1xzk s GLN 71 Cb -0.14 -1.21 -0.04 0.00 0.80 0.00 0.00 33.01 32.43 1xzk s GLN 71 CO 0.02 -0.34 0.71 0.20 -0.50 0.00 0.00 175.29 175.38 1xzk s GLY 72 N 1.92 1.49 -0.43 2.59 0.00 -0.82 -0.75 107.32 111.33 1xzk s GLY 72 Ca 0.04 -0.60 -0.23 0.00 0.00 0.00 0.00 44.72 43.94 1xzk s GLY 72 CO -0.06 -0.46 0.76 0.14 0.00 0.00 0.00 173.10 173.47 1xzk s VAL 73 N -2.58 4.69 0.00 1.40 1.01 0.19 -4.82 120.40 120.30 1xzk s VAL 73 Ca 0.45 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1xzk s VAL 73 Cb -0.10 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1xzk s VAL 73 CO 0.41 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1xzk n GLY 74 N 4.92 1.41 7.00 4.51 0.00 -1.26 -4.73 105.19 117.04 1xzk n GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1xzk n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xzk n GLY 75 N 5.00 3.33 0.18 -0.02 0.00 -1.26 -0.76 105.19 111.66 1xzk n GLY 75 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1xzk n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xzk h ALA 76 N -0.59 1.00 -1.49 4.61 0.00 -1.95 -3.40 119.26 117.44 1xzk h ALA 76 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1xzk h ALA 76 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1xzk h ALA 76 CO 0.00 0.00 0.94 -0.47 0.00 0.00 0.00 179.25 179.72 1xzk s TYR 77 N -3.57 2.45 -0.81 0.00 5.04 0.06 -4.45 117.35 116.07 1xzk s TYR 77 Ca -0.01 0.01 0.23 0.00 -2.44 0.00 0.00 57.07 54.86 1xzk s TYR 77 Cb 0.08 -4.52 0.16 0.00 0.35 0.00 0.00 41.96 38.03 1xzk s TYR 77 CO 0.28 -1.85 1.14 -2.13 -1.34 0.00 0.00 175.55 171.65 1xzk n ARG 78 N 8.79 0.14 -3.50 4.97 3.00 -1.26 -4.70 116.66 124.11 1xzk n ARG 78 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.70 1xzk n ARG 78 Cb 0.48 -1.55 0.07 0.00 0.00 0.00 0.00 32.46 31.47 1xzk n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xzk n ALA 79 N -1.66 -2.07 -2.09 5.13 0.00 -1.26 -4.71 120.51 113.85 1xzk n ALA 79 Ca 0.04 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1xzk n ALA 79 Cb 0.38 -2.62 -0.05 0.00 0.00 0.00 0.00 19.45 17.16 1xzk n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xzk s THR 80 N -3.45 4.40 0.33 0.00 2.01 -1.26 -0.88 115.64 116.78 1xzk s THR 80 Ca 0.05 1.93 0.03 0.00 0.31 0.00 0.00 61.69 64.01 1xzk s THR 80 Cb -0.01 -4.25 0.18 0.00 0.01 0.00 0.00 72.50 68.43 1xzk s THR 80 CO 0.76 0.42 1.90 0.25 -0.69 0.00 0.00 174.62 177.25 1xzk h LEU 81 N 4.96 0.58 -0.87 4.42 5.85 -1.94 -2.80 115.31 125.50 1xzk h LEU 81 Ca -0.44 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 1xzk h LEU 81 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1xzk h LEU 81 CO 0.69 0.58 -0.28 1.23 -0.34 0.00 0.00 178.44 180.32 1xzk h GLY 82 N 0.84 0.54 2.00 3.75 0.00 -2.02 -3.13 103.07 105.05 1xzk h GLY 82 Ca 0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1xzk h GLY 82 CO -0.00 0.43 -0.00 -0.55 0.00 0.00 0.00 176.54 176.41 1xzk h ASP 83 N 0.44 0.00 0.09 0.19 3.32 -1.87 -1.94 116.42 116.66 1xzk h ASP 83 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xzk h ASP 83 Cb 0.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1xzk h ASP 83 CO 0.06 0.00 -0.02 0.78 -1.72 0.00 0.00 179.24 178.34 1xzk h ASN 84 N 0.00 0.00 0.80 6.45 2.35 -1.67 -1.36 115.58 122.14 1xzk h ASN 84 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xzk h ASN 84 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1xzk h ASN 84 CO 0.00 0.02 -0.21 0.00 -1.65 0.00 0.00 177.43 175.59 1xzk n ALA 85 N -2.24 2.84 -1.10 -0.83 0.00 -0.73 -4.29 120.51 114.16 1xzk n ALA 85 Ca -0.03 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1xzk n ALA 85 Cb 0.11 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.36 1xzk n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xzk s LEU 86 N -3.02 2.88 0.34 0.00 1.02 -0.52 -4.91 118.68 114.46 1xzk s LEU 86 Ca 0.13 1.88 0.10 0.00 0.02 0.00 0.00 54.13 56.26 1xzk s LEU 86 Cb 0.18 -4.46 0.87 0.00 0.02 0.00 0.00 46.19 42.80 1xzk s LEU 86 CO 0.60 -2.39 1.79 -0.65 0.02 0.00 0.00 176.35 175.72 1xzk h PRO 87 N -1.38 0.61 -0.48 1.29 0.10 -1.88 -1.43 132.00 128.84 1xzk h PRO 87 Ca -0.44 -0.04 -0.13 0.00 0.10 0.00 0.00 66.00 65.49 1xzk h PRO 87 Cb 1.25 -0.14 -0.08 0.00 0.10 0.00 0.00 31.00 32.13 1xzk h PRO 87 CO 0.49 0.41 0.10 0.54 0.10 0.00 0.00 178.00 179.63 1xzk n ARG 88 N -4.69 2.98 -0.76 1.05 1.74 -1.26 -4.93 116.66 110.80 1xzk n ARG 88 Ca 0.23 -3.02 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 1xzk n ARG 88 Cb 0.64 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1xzk n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xzk n GLY 89 N -0.52 1.08 3.78 -0.13 0.00 -0.54 -4.72 105.19 104.14 1xzk n GLY 89 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 1xzk n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xzk s THR 90 N -3.60 0.00 0.55 2.61 -1.32 -1.15 -4.10 115.64 108.63 1xzk s THR 90 Ca 0.00 -0.68 -0.16 0.00 -1.21 0.00 0.00 61.69 59.64 1xzk s THR 90 Cb 0.00 -2.13 -0.06 0.00 -1.51 0.00 0.00 72.50 68.80 1xzk s THR 90 CO 0.00 0.00 1.02 -0.94 -2.21 0.00 0.00 174.62 172.49 1xzk s SER 91 N -3.00 6.26 0.50 8.08 1.04 -1.26 -4.74 113.70 120.57 1xzk s SER 91 Ca 0.13 1.68 0.28 0.00 0.48 0.00 0.00 55.95 58.53 1xzk s SER 91 Cb -0.02 -2.52 1.23 0.00 0.10 0.00 0.00 66.02 64.82 1xzk s SER 91 CO 0.03 -0.84 1.95 0.77 0.98 0.00 0.00 173.24 176.14 1xzk h SER 92 N 0.73 0.00 -0.49 7.02 4.64 -1.99 -2.51 113.55 120.95 1xzk h SER 92 Ca -0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1xzk h SER 92 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1xzk h SER 92 CO 0.60 0.14 -0.02 0.00 -0.87 0.00 0.00 176.83 176.67 1xzk h ALA 93 N 1.86 0.67 -0.55 5.18 0.00 -1.94 -1.72 119.26 122.76 1xzk h ALA 93 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1xzk h ALA 93 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xzk h ALA 93 CO 0.02 0.49 0.07 0.00 0.00 0.00 0.00 179.25 179.83 1xzk h ALA 94 N 0.92 0.74 -0.76 0.00 0.00 -1.68 -2.43 119.26 116.05 1xzk h ALA 94 Ca 0.14 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xzk h ALA 94 Cb 0.54 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1xzk h ALA 94 CO 0.03 0.50 0.44 0.82 0.00 0.00 0.00 179.25 181.04 1xzk h ILE 95 N 0.82 1.00 0.00 0.00 2.04 -1.25 -1.68 117.51 118.42 1xzk h ILE 95 Ca 0.16 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1xzk h ILE 95 Cb 0.44 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1xzk h ILE 95 CO 0.02 0.15 -0.24 0.03 0.00 0.00 0.00 178.15 178.10 1xzk h ARG 96 N 0.81 0.00 0.26 2.37 3.08 -0.98 -1.68 114.38 118.24 1xzk h ARG 96 Ca 0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 1xzk h ARG 96 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1xzk h ARG 96 CO -0.18 0.24 -0.12 1.49 -1.07 0.00 0.00 179.97 180.33 1xzk h GLU 97 N 0.00 -0.33 -0.82 0.04 4.57 -0.85 -1.47 114.58 115.71 1xzk h GLU 97 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1xzk h GLU 97 Cb 0.46 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1xzk h GLU 97 CO 0.03 0.02 0.48 1.98 -1.18 0.00 0.00 179.01 180.33 1xzk h MET 98 N -0.77 1.13 -0.94 1.92 4.05 -1.29 -1.35 114.93 117.68 1xzk h MET 98 Ca -0.04 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1xzk h MET 98 Cb 0.50 -0.23 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 1xzk h MET 98 CO 0.06 0.81 0.62 1.25 0.23 0.00 0.00 176.91 179.88 1xzk h LEU 99 N 1.13 1.07 -1.36 3.39 5.85 -1.34 -0.96 115.31 123.10 1xzk h LEU 99 Ca 0.29 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1xzk h LEU 99 Cb -0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1xzk h LEU 99 CO -0.05 0.77 -0.32 1.23 -0.34 0.00 0.00 178.44 179.74 1xzk h GLY 100 N 1.27 0.00 1.45 3.75 0.00 -0.43 -1.75 103.07 107.37 1xzk h GLY 100 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.47 1xzk h GLY 100 CO -0.08 0.00 -0.83 1.41 0.00 0.00 0.00 176.54 177.04 1xzk h LEU 101 N 0.00 0.64 -0.67 3.11 3.38 -0.14 -1.62 115.31 120.01 1xzk h LEU 101 Ca -0.00 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1xzk h LEU 101 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xzk h LEU 101 CO 0.04 1.23 0.02 -0.26 0.09 0.00 0.00 178.44 179.56 1xzk h PHE 102 N 0.33 1.15 -0.59 1.13 0.04 -0.98 -1.44 116.94 116.57 1xzk h PHE 102 Ca -0.06 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.47 1xzk h PHE 102 Cb 1.44 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 1xzk h PHE 102 CO 0.06 1.00 0.16 1.96 -0.60 0.00 0.00 178.31 180.89 1xzk h GLN 103 N 0.97 0.94 -0.66 1.51 4.20 -1.29 -2.35 115.11 118.44 1xzk h GLN 103 Ca 0.18 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1xzk h GLN 103 Cb 0.53 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1xzk h GLN 103 CO 0.03 0.86 0.15 0.37 -0.67 0.00 0.00 178.83 179.57 1xzk h GLN 104 N 0.85 1.04 -0.57 1.46 4.15 -1.03 -1.00 115.11 120.02 1xzk h GLN 104 Ca 0.19 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1xzk h GLN 104 Cb 0.33 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1xzk h GLN 104 CO -0.00 0.92 0.25 0.00 -1.93 0.00 0.00 178.83 178.08 1xzk h ALA 105 N 1.17 0.73 -0.53 3.38 0.00 -1.13 -0.22 119.26 122.67 1xzk h ALA 105 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1xzk h ALA 105 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xzk h ALA 105 CO 0.00 0.32 0.07 -0.97 0.00 0.00 0.00 179.25 178.67 1xzk h ASN 106 N 0.77 0.80 0.14 0.00 -1.24 -1.03 0.13 115.58 115.16 1xzk h ASN 106 Ca 0.19 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1xzk h ASN 106 Cb 0.15 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1xzk h ASN 106 CO -0.02 0.82 -0.07 0.74 -1.29 0.00 0.00 177.43 177.61 1xzk h THR 107 N 0.80 0.98 -0.36 -3.57 2.02 -0.98 -2.92 112.91 108.88 1xzk h THR 107 Ca 0.17 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1xzk h THR 107 Cb 0.38 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1xzk h THR 107 CO 0.01 0.24 0.00 0.11 0.37 0.00 0.00 175.52 176.25 1xzk h LYS 108 N -0.77 0.64 -2.20 6.66 1.57 -1.02 -3.39 116.57 118.07 1xzk h LYS 108 Ca -0.02 -0.20 -0.58 0.00 -1.87 0.00 0.00 60.65 57.98 1xzk h LYS 108 Cb 0.53 -0.06 -0.40 0.00 0.08 0.00 0.00 32.23 32.39 1xzk h LYS 108 CO 0.03 0.75 -0.94 0.00 -0.57 0.00 0.00 179.45 178.72 1xzk h PRO 110 N 4.48 0.00 0.00 0.00 0.11 -1.66 -0.46 132.00 134.47 1xzk h PRO 110 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1xzk h PRO 110 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xzk h PRO 110 CO 0.54 0.00 -0.12 -3.47 -0.21 0.00 0.00 178.00 174.74 1xzk n ASP 111 N -3.90 0.60 -4.79 -2.05 2.03 -1.26 -4.90 116.55 102.27 1xzk n ASP 111 Ca 0.08 0.45 -0.35 0.00 0.52 0.00 0.00 54.79 55.48 1xzk n ASP 111 Cb 0.60 -0.53 -0.04 0.00 -0.72 0.00 0.00 41.12 40.43 1xzk n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xzk s ALA 112 N -3.08 2.98 -0.03 -1.67 0.00 -0.18 -5.01 121.76 114.77 1xzk s ALA 112 Ca 0.11 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 1xzk s ALA 112 Cb 0.14 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1xzk s ALA 112 CO 0.61 -0.23 0.44 0.99 0.00 0.00 0.00 175.76 177.56 1xzk s THR 113 N -1.85 5.06 0.04 0.00 2.01 -0.39 -4.95 115.64 115.56 1xzk s THR 113 Ca 0.62 0.89 0.01 0.00 0.31 0.00 0.00 61.69 63.53 1xzk s THR 113 Cb -0.18 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1xzk s THR 113 CO 0.23 0.50 0.08 -0.76 -0.69 0.00 0.00 174.62 173.98 1xzk s LEU 114 N -0.55 3.85 0.03 4.42 1.43 -0.45 -1.52 118.68 125.90 1xzk s LEU 114 Ca 0.24 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1xzk s LEU 114 Cb -0.16 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1xzk s LEU 114 CO 0.13 0.22 -0.04 0.27 0.23 0.00 0.00 176.35 177.16 1xzk s ILE 115 N -1.30 0.21 0.17 -0.59 -4.36 -0.42 -0.62 121.20 114.31 1xzk s ILE 115 Ca 0.26 -1.22 -0.05 0.00 -0.26 0.00 0.00 60.65 59.38 1xzk s ILE 115 Cb -0.12 -0.70 -0.02 0.00 1.25 0.00 0.00 42.46 42.86 1xzk s ILE 115 CO 0.18 -0.64 0.21 0.00 0.24 0.00 0.00 174.94 174.93 1xzk s ALA 116 N -2.21 0.48 0.06 2.27 0.00 -0.89 -1.58 121.76 119.89 1xzk s ALA 116 Ca -0.08 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.37 1xzk s ALA 116 Cb -0.04 1.00 0.09 0.00 0.00 0.00 0.00 23.12 24.17 1xzk s ALA 116 CO -0.03 -0.61 0.87 0.20 0.00 0.00 0.00 175.76 176.19 1xzk s GLY 117 N -3.04 -0.42 0.01 0.00 0.00 -0.93 -1.72 107.32 101.22 1xzk s GLY 117 Ca 0.25 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 1xzk s GLY 117 CO 0.04 0.23 0.67 -0.32 0.00 0.00 0.00 173.10 173.72 1xzk s GLY 118 N -2.63 -0.58 -0.07 0.20 0.00 -0.96 -1.79 107.32 101.50 1xzk s GLY 118 Ca 0.06 1.11 0.04 0.00 0.00 0.00 0.00 44.72 45.93 1xzk s GLY 118 CO -0.06 0.72 -0.18 -0.47 0.00 0.00 0.00 173.10 173.11 1xzk s TYR 119 N -1.96 1.93 0.00 1.90 5.04 -0.81 -1.54 117.35 121.91 1xzk s TYR 119 Ca -0.07 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 53.87 1xzk s TYR 119 Cb -0.00 -1.33 0.00 0.00 0.35 0.00 0.00 41.96 40.98 1xzk s TYR 119 CO 0.03 -0.28 0.00 0.45 -1.34 0.00 0.00 175.55 174.40 1xzk n SER 120 N 3.47 0.00 0.23 4.32 2.88 -0.39 -0.13 113.62 123.99 1xzk n SER 120 Ca -0.20 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.40 1xzk n SER 120 Cb 0.52 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.53 1xzk n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1xzk h GLN 121 N 0.00 0.00 0.00 -1.46 4.15 -1.85 -1.71 115.11 114.24 1xzk h GLN 121 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1xzk h GLN 121 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1xzk h GLN 121 CO 0.00 0.16 -0.21 0.78 -1.93 0.00 0.00 178.83 177.62 1xzk h GLY 122 N 0.50 0.00 1.33 2.39 0.00 -0.36 -0.26 103.07 106.67 1xzk h GLY 122 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1xzk h GLY 122 CO 0.02 0.00 -0.81 0.00 0.00 0.00 0.00 176.54 175.75 1xzk h ALA 123 N 1.79 0.37 -0.46 3.60 0.00 -1.33 -0.01 119.26 123.22 1xzk h ALA 123 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1xzk h ALA 123 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xzk h ALA 123 CO 0.03 0.72 -0.23 0.00 0.00 0.00 0.00 179.25 179.76 1xzk h ALA 124 N 0.66 0.64 -0.51 0.00 0.00 -1.25 -1.53 119.26 117.27 1xzk h ALA 124 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1xzk h ALA 124 Cb 1.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xzk h ALA 124 CO 0.16 0.64 0.15 1.25 0.00 0.00 0.00 179.25 181.45 1xzk h LEU 125 N 0.80 0.75 -0.40 0.00 5.85 -1.00 -0.66 115.31 120.67 1xzk h LEU 125 Ca 0.10 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1xzk h LEU 125 Cb 0.81 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1xzk h LEU 125 CO 0.07 0.77 0.18 0.00 -0.34 0.00 0.00 178.44 179.11 1xzk h ALA 126 N 1.01 0.52 -0.52 1.25 0.00 -0.87 -1.09 119.26 119.55 1xzk h ALA 126 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xzk h ALA 126 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xzk h ALA 126 CO -0.00 0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.58 1xzk h ALA 127 N 1.02 0.68 -0.08 0.00 0.00 -1.08 -1.86 119.26 117.94 1xzk h ALA 127 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xzk h ALA 127 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xzk h ALA 127 CO -0.01 0.26 0.02 0.00 0.00 0.00 0.00 179.25 179.51 1xzk h ALA 128 N 1.08 0.10 -0.73 0.00 0.00 -0.93 -1.22 119.26 117.55 1xzk h ALA 128 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xzk h ALA 128 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xzk h ALA 128 CO -0.02 -0.27 0.40 0.77 0.00 0.00 0.00 179.25 180.13 1xzk h SER 129 N -0.08 0.92 -0.56 0.00 0.02 -1.17 -1.75 113.55 110.93 1xzk h SER 129 Ca 0.02 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 1xzk h SER 129 Cb 0.24 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1xzk h SER 129 CO 0.00 0.76 -0.04 0.40 -1.14 0.00 0.00 176.83 176.81 1xzk h ILE 130 N 1.01 1.27 -0.56 3.27 2.04 -1.25 -0.99 117.51 122.30 1xzk h ILE 130 Ca 0.26 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1xzk h ILE 130 Cb 0.05 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1xzk h ILE 130 CO -0.04 0.42 0.34 -0.08 0.00 0.00 0.00 178.15 178.79 1xzk h GLU 131 N 0.90 0.65 0.00 2.37 4.81 -1.01 -2.92 114.58 119.39 1xzk h GLU 131 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1xzk h GLU 131 Cb 0.60 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1xzk h GLU 131 CO 0.04 0.43 0.00 -0.44 -0.73 0.00 0.00 179.01 178.31 1xzk h ASP 132 N 0.67 0.00 -4.15 1.04 5.19 -1.00 -3.47 116.42 114.71 1xzk h ASP 132 Ca 0.22 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.09 1xzk h ASP 132 Cb 0.02 0.00 0.16 0.00 0.18 0.00 0.00 39.33 39.69 1xzk h ASP 132 CO -0.10 0.00 0.45 -0.76 -3.12 0.00 0.00 179.24 175.71 1xzk s LEU 133 N -5.04 3.41 0.23 1.55 1.43 -0.41 -4.96 118.68 114.90 1xzk s LEU 133 Ca 0.07 2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 1xzk s LEU 133 Cb 0.10 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.61 1xzk s LEU 133 CO 0.55 -2.22 1.45 -0.62 0.23 0.00 0.00 176.35 175.74 1xzk s ASP 134 N -1.72 6.66 0.54 2.29 2.15 -1.26 -4.83 116.67 120.51 1xzk s ASP 134 Ca 0.78 2.63 0.27 0.00 0.43 0.00 0.00 52.55 56.66 1xzk s ASP 134 Cb -0.33 -2.62 1.43 0.00 -0.30 0.00 0.00 42.92 41.10 1xzk s ASP 134 CO 0.43 -0.71 1.98 0.77 -0.17 0.00 0.00 175.17 177.48 1xzk h SER 135 N 5.42 0.00 -0.37 -0.34 4.64 -1.96 -1.43 113.55 119.51 1xzk h SER 135 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1xzk h SER 135 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1xzk h SER 135 CO 0.80 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.85 1xzk h ALA 136 N 1.69 0.48 -0.17 5.18 0.00 -2.00 -1.76 119.26 122.68 1xzk h ALA 136 Ca 0.26 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1xzk h ALA 136 Cb 1.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xzk h ALA 136 CO -0.00 0.16 -0.45 0.82 0.00 0.00 0.00 179.25 179.78 1xzk h ILE 137 N 0.44 1.34 -0.13 0.00 2.04 -1.71 -3.11 117.51 116.38 1xzk h ILE 137 Ca 0.12 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 64.31 1xzk h ILE 137 Cb 0.30 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1xzk h ILE 137 CO 0.00 0.52 0.11 -0.09 0.00 0.00 0.00 178.15 178.69 1xzk h ARG 138 N 0.25 0.00 -0.11 2.37 2.43 -1.25 -0.14 114.38 117.93 1xzk h ARG 138 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1xzk h ARG 138 Cb 1.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1xzk h ARG 138 CO 0.10 0.00 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.82 1xzk h ASP 139 N 0.00 0.21 0.61 -3.80 5.19 -1.24 -2.69 116.42 114.69 1xzk h ASP 139 Ca 0.06 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1xzk h ASP 139 Cb 0.28 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1xzk h ASP 139 CO -0.00 0.51 0.00 0.29 -3.12 0.00 0.00 179.24 176.92 1xzk n LYS 140 N -4.13 0.16 -2.73 3.56 5.02 -0.06 -4.61 118.16 115.37 1xzk n LYS 140 Ca -0.01 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 1xzk n LYS 140 Cb 0.39 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1xzk n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xzk s ILE 141 N -2.79 4.19 0.48 -0.18 1.01 -1.02 -1.34 121.20 121.56 1xzk s ILE 141 Ca 0.16 -0.58 0.17 0.00 0.00 0.00 0.00 60.65 60.40 1xzk s ILE 141 Cb 0.15 -4.85 0.23 0.00 0.01 0.00 0.00 42.46 38.00 1xzk s ILE 141 CO 0.38 -1.68 2.07 0.00 0.00 0.00 0.00 174.94 175.71 1xzk h ALA 142 N 9.55 1.78 -2.16 9.38 0.00 -1.12 -3.46 119.26 133.23 1xzk h ALA 142 Ca -0.06 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xzk h ALA 142 Cb 1.04 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 1xzk h ALA 142 CO 1.25 0.13 0.42 0.20 0.00 0.00 0.00 179.25 181.25 1xzk s GLY 143 N -4.14 -0.45 -0.05 0.00 0.00 -1.26 -4.80 107.32 96.61 1xzk s GLY 143 Ca -0.04 1.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.88 1xzk s GLY 143 CO 0.67 0.57 0.12 -1.59 0.00 0.00 0.00 173.10 172.87 1xzk s THR 144 N -2.44 -0.02 -0.07 0.90 2.01 -0.20 -2.10 115.64 113.72 1xzk s THR 144 Ca 0.00 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1xzk s THR 144 Cb -0.01 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1xzk s THR 144 CO -0.04 0.04 -0.17 0.68 -0.69 0.00 0.00 174.62 174.44 1xzk s VAL 145 N 0.59 2.81 -0.03 3.82 -7.23 -0.70 -1.19 120.40 118.47 1xzk s VAL 145 Ca -0.04 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 1xzk s VAL 145 Cb -0.06 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 1xzk s VAL 145 CO -0.03 0.57 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.43 1xzk s LEU 146 N -0.33 1.88 -0.05 1.32 1.43 0.03 -2.26 118.68 120.70 1xzk s LEU 146 Ca 0.03 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1xzk s LEU 146 Cb -0.13 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 1xzk s LEU 146 CO 0.02 0.12 -0.25 -0.36 0.23 0.00 0.00 176.35 176.12 1xzk s PHE 147 N 0.06 2.43 -1.40 0.29 0.40 -0.59 -0.05 117.98 119.11 1xzk s PHE 147 Ca -0.03 -0.68 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1xzk s PHE 147 Cb -0.10 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1xzk s PHE 147 CO 0.01 -0.19 0.66 0.41 0.70 0.00 0.00 175.22 176.81 1xzk n GLY 148 N 2.87 -0.31 3.58 4.36 0.00 -0.12 -1.27 105.19 114.30 1xzk n GLY 148 Ca -0.17 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1xzk n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xzk s TYR 149 N -3.68 1.12 0.46 1.61 5.04 -1.26 -3.10 117.35 117.54 1xzk s TYR 149 Ca 0.16 0.91 0.27 0.00 -2.44 0.00 0.00 57.07 55.96 1xzk s TYR 149 Cb -0.08 -3.80 1.51 0.00 0.35 0.00 0.00 41.96 39.94 1xzk s TYR 149 CO 0.85 -3.55 2.11 1.79 -1.34 0.00 0.00 175.55 175.41 1xzk h THR 150 N 7.35 0.60 -0.52 4.34 1.35 -1.73 -1.19 112.91 123.11 1xzk h THR 150 Ca -0.35 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 1xzk h THR 150 Cb 1.25 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.90 1xzk h THR 150 CO 1.03 0.09 0.06 0.29 -0.25 0.00 0.00 175.52 176.74 1xzk n LYS 151 N -3.74 4.01 0.13 4.72 4.76 -1.26 -4.70 118.16 122.08 1xzk n LYS 151 Ca -0.02 -3.07 -0.15 0.00 -2.87 0.00 0.00 58.31 52.20 1xzk n LYS 151 Cb 0.20 -2.13 -0.08 0.00 -1.84 0.00 0.00 35.03 31.18 1xzk n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1xzk h ASN 152 N 3.00 -1.33 0.01 4.39 -0.00 -1.44 0.25 115.58 120.47 1xzk h ASN 152 Ca 0.07 0.14 -0.00 0.00 -0.00 0.00 0.00 56.30 56.51 1xzk h ASN 152 Cb 1.91 0.49 0.00 0.00 -0.00 0.00 0.00 38.32 40.72 1xzk h ASN 152 CO 0.47 -0.52 -0.01 0.25 -0.00 0.00 0.00 177.43 177.62 1xzk h LEU 153 N -0.71 -0.01 -0.73 0.34 5.85 -1.83 0.22 115.31 118.44 1xzk h LEU 153 Ca 0.01 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xzk h LEU 153 Cb 0.72 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1xzk h LEU 153 CO -0.23 0.06 0.44 1.56 -0.34 0.00 0.00 178.44 179.93 1xzk h GLN 154 N -0.09 0.80 -0.64 1.25 7.50 -1.85 -1.82 115.11 120.26 1xzk h GLN 154 Ca -0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1xzk h GLN 154 Cb 0.08 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.43 1xzk h GLN 154 CO 0.00 0.53 0.00 0.09 -1.50 0.00 0.00 178.83 177.95 1xzk n ASN 155 N -4.70 3.49 -3.07 1.46 3.02 0.07 -4.91 115.26 110.62 1xzk n ASN 155 Ca 0.09 -2.38 -0.20 0.00 -0.03 0.00 0.00 54.58 52.06 1xzk n ASN 155 Cb 0.14 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1xzk n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xzk n ARG 156 N 0.57 -3.32 -1.02 3.52 5.12 -0.68 -1.90 116.66 118.95 1xzk n ARG 156 Ca 0.17 0.57 -0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1xzk n ARG 156 Cb 0.69 -5.27 -0.00 0.00 -1.16 0.00 0.00 32.46 26.72 1xzk n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xzk n GLY 157 N -1.13 0.40 2.07 -0.13 0.00 0.72 -5.02 105.19 102.11 1xzk n GLY 157 Ca -0.06 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1xzk n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xzk n ARG 158 N -2.97 0.37 -4.21 1.61 1.85 -0.80 -4.88 116.66 107.63 1xzk n ARG 158 Ca -0.00 -1.89 -0.34 0.00 -1.00 0.00 0.00 57.85 54.62 1xzk n ARG 158 Cb 0.02 1.70 -0.13 0.00 -1.05 0.00 0.00 32.46 33.00 1xzk n ARG 158 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1xzk s ILE 159 N -2.74 3.76 0.24 8.89 1.01 -1.26 -4.80 121.20 126.30 1xzk s ILE 159 Ca 0.21 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 1xzk s ILE 159 Cb 0.00 -2.68 -0.13 0.00 0.01 0.00 0.00 42.46 39.67 1xzk s ILE 159 CO 0.15 0.46 1.54 -2.65 0.00 0.00 0.00 174.94 174.44 1xzk n PRO 160 N 4.04 2.38 -1.00 2.79 -0.02 -1.26 -2.22 135.00 139.72 1xzk n PRO 160 Ca -0.17 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1xzk n PRO 160 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1xzk n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xzk n ASN 161 N 2.60 -4.11 -4.18 2.55 3.02 -1.26 -3.91 115.26 109.97 1xzk n ASN 161 Ca 0.12 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.41 1xzk n ASN 161 Cb 0.33 -1.69 -0.16 0.00 -0.61 0.00 0.00 39.78 37.66 1xzk n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xzk s TYR 162 N -1.63 1.73 0.26 3.10 5.04 -0.94 -4.99 117.35 119.93 1xzk s TYR 162 Ca 0.00 -0.38 -0.31 0.00 -2.44 0.00 0.00 57.07 53.95 1xzk s TYR 162 Cb 0.00 -1.13 -0.12 0.00 0.35 0.00 0.00 41.96 41.06 1xzk s TYR 162 CO 0.00 -0.07 1.59 -2.30 -1.34 0.00 0.00 175.55 173.43 1xzk n PRO 163 N 2.75 2.59 -0.27 4.97 -0.02 -1.26 -4.60 135.00 139.15 1xzk n PRO 163 Ca -0.16 0.92 -0.05 0.00 -2.02 0.00 0.00 63.50 62.20 1xzk n PRO 163 Cb 0.53 -2.70 0.06 0.00 -0.02 0.00 0.00 33.50 31.37 1xzk n PRO 163 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xzk h ALA 164 N 5.15 0.96 0.00 3.55 0.00 -1.92 -1.65 119.26 125.35 1xzk h ALA 164 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xzk h ALA 164 Cb 1.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xzk h ALA 164 CO 0.82 0.42 0.02 -0.40 0.00 0.00 0.00 179.25 180.12 1xzk n ASP 165 N -4.51 0.50 -0.25 0.00 5.75 -1.26 -0.85 116.55 115.94 1xzk n ASP 165 Ca 0.07 0.73 0.11 0.00 -0.01 0.00 0.00 54.79 55.69 1xzk n ASP 165 Cb 0.05 -0.78 -0.03 0.00 -1.03 0.00 0.00 41.12 39.32 1xzk n ASP 165 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xzk n ARG 166 N -2.19 0.61 -4.41 0.11 1.74 -0.63 -4.94 116.66 106.95 1xzk n ARG 166 Ca -0.01 -0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 56.23 1xzk n ARG 166 Cb 0.05 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.89 1xzk n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xzk s THR 167 N -2.73 4.02 -0.13 0.55 2.01 -0.03 -1.03 115.64 118.30 1xzk s THR 167 Ca 0.14 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 1xzk s THR 167 Cb 0.17 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1xzk s THR 167 CO 0.71 0.54 -0.10 -0.75 -0.69 0.00 0.00 174.62 174.33 1xzk s LYS 168 N -0.13 1.78 -0.19 4.92 2.20 -0.33 -4.96 119.74 123.03 1xzk s LYS 168 Ca 0.03 -0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 1xzk s LYS 168 Cb -0.13 -1.77 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 1xzk s LYS 168 CO 0.02 -0.26 0.04 0.08 -0.36 0.00 0.00 175.35 174.87 1xzk s VAL 169 N 1.63 4.45 -0.34 4.02 1.01 -1.26 -0.79 120.40 129.13 1xzk s VAL 169 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1xzk s VAL 169 Cb -0.13 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1xzk s VAL 169 CO -0.09 0.44 0.11 -0.36 0.00 0.00 0.00 175.10 175.20 1xzk s PHE 170 N 0.68 3.23 -0.19 5.22 0.08 0.92 -4.96 117.98 122.96 1xzk s PHE 170 Ca 0.02 -1.29 -0.02 0.00 0.12 0.00 0.00 56.93 55.76 1xzk s PHE 170 Cb -0.14 -2.29 0.06 0.00 -0.57 0.00 0.00 43.02 40.08 1xzk s PHE 170 CO 0.02 -0.69 0.02 0.00 -0.10 0.00 0.00 175.22 174.47 1xzk s ASN 172 N 1.80 5.80 0.09 0.00 0.01 -1.26 -4.96 114.94 116.43 1xzk s ASN 172 Ca -0.01 1.92 -0.31 0.00 -0.71 0.00 0.00 52.86 53.75 1xzk s ASN 172 Cb -0.17 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.86 1xzk s ASN 172 CO -0.08 -1.15 1.60 -0.89 -1.51 0.00 0.00 177.10 175.07 1xzk s THR 173 N -2.23 2.99 0.00 1.60 2.01 -1.26 -1.48 115.64 117.27 1xzk s THR 173 Ca 0.66 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.20 1xzk s THR 173 Cb -0.18 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1xzk s THR 173 CO 0.32 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1xzk n GLY 174 N 3.88 0.66 3.52 4.40 0.00 -1.26 -4.85 105.19 111.54 1xzk n GLY 174 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1xzk n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xzk s ASP 175 N -2.73 6.30 0.52 1.61 -1.08 -0.55 -4.65 116.67 116.09 1xzk s ASP 175 Ca 0.00 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 51.82 1xzk s ASP 175 Cb 0.00 -2.46 1.43 0.00 -1.46 0.00 0.00 42.92 40.43 1xzk s ASP 175 CO 0.00 -1.37 2.11 -0.07 0.52 0.00 0.00 175.17 176.36 1xzk h LEU 176 N 11.39 0.00 -1.05 -1.34 3.38 -1.88 -2.82 115.31 123.00 1xzk h LEU 176 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xzk h LEU 176 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xzk h LEU 176 CO 1.14 0.09 0.00 -0.37 0.09 0.00 0.00 178.44 179.39 1xzk h VAL 177 N 0.00 0.00 0.00 1.22 -1.51 -1.67 -1.27 116.25 113.01 1xzk h VAL 177 Ca -0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1xzk h VAL 177 Cb 0.21 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1xzk h VAL 177 CO 0.01 0.00 -0.45 0.00 -1.23 0.00 0.00 177.57 175.90 1xzk n THR 179 N -1.96 2.54 -0.11 0.00 -2.24 -0.49 -3.36 114.28 108.66 1xzk n THR 179 Ca 0.04 -2.25 0.00 0.00 -2.27 0.00 0.00 64.05 59.58 1xzk n THR 179 Cb 0.41 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1xzk n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xzk n GLY 180 N -0.80 1.24 3.57 3.38 0.00 -1.22 -4.98 105.19 106.39 1xzk n GLY 180 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1xzk n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xzk s SER 181 N -2.95 4.39 -1.21 1.61 1.04 -1.15 -5.04 113.70 110.39 1xzk s SER 181 Ca 0.00 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 1xzk s SER 181 Cb 0.00 -0.85 0.21 0.00 0.10 0.00 0.00 66.02 65.48 1xzk s SER 181 CO 0.00 0.19 1.65 0.18 0.98 0.00 0.00 173.24 176.24 1xzk n LEU 182 N 0.80 6.27 -3.96 2.42 4.77 -1.26 -3.27 117.00 122.77 1xzk n LEU 182 Ca -0.14 -4.78 -0.24 0.00 -0.03 0.00 0.00 56.01 50.83 1xzk n LEU 182 Cb 0.52 -1.45 -0.17 0.00 -2.33 0.00 0.00 43.42 39.99 1xzk n LEU 182 CO 0.33 1.34 -0.44 -0.63 -1.33 0.00 0.00 177.39 176.65 1xzk s ILE 183 N -0.29 0.94 -0.37 -0.08 1.01 -1.26 -5.06 121.20 116.09 1xzk s ILE 183 Ca 0.37 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1xzk s ILE 183 Cb 0.05 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1xzk s ILE 183 CO 0.02 0.32 0.25 -0.69 0.00 0.00 0.00 174.94 174.85 1xzk s VAL 184 N 0.99 5.12 0.37 2.92 1.01 -1.26 -3.94 120.40 125.60 1xzk s VAL 184 Ca -0.09 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1xzk s VAL 184 Cb -0.15 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1xzk s VAL 184 CO 0.00 -0.15 0.16 0.00 0.00 0.00 0.00 175.10 175.11 1xzk s ALA 185 N 1.67 3.54 0.36 5.51 0.00 -1.26 -5.04 121.76 126.54 1xzk s ALA 185 Ca 0.05 -1.94 0.13 0.00 0.00 0.00 0.00 51.96 50.20 1xzk s ALA 185 Cb -0.18 -0.60 0.95 0.00 0.00 0.00 0.00 23.12 23.28 1xzk s ALA 185 CO 0.09 -0.05 1.78 0.00 0.00 0.00 0.00 175.76 177.59 1xzk h ALA 186 N 1.50 1.98 0.00 0.00 0.00 -1.98 -1.23 119.26 119.53 1xzk h ALA 186 Ca -0.43 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xzk h ALA 186 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xzk h ALA 186 CO 0.65 -0.36 0.00 -1.35 0.00 0.00 0.00 179.25 178.20 1xzk h PRO 187 N 0.55 0.00 0.00 0.00 0.11 -1.89 0.47 132.00 131.24 1xzk h PRO 187 Ca 0.57 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.64 1xzk h PRO 187 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xzk h PRO 187 CO -0.32 0.00 -0.18 1.25 -0.21 0.00 0.00 178.00 178.54 1xzk h HIS 188 N 0.00 0.00 -0.65 0.65 2.76 -1.52 -2.99 115.15 113.40 1xzk h HIS 188 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xzk h HIS 188 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1xzk h HIS 188 CO 0.00 0.18 0.00 1.28 -1.30 0.00 0.00 177.93 178.09 1xzk n LEU 189 N -3.26 4.71 -2.46 0.26 4.32 0.15 -4.55 117.00 116.17 1xzk n LEU 189 Ca 0.01 -2.38 -0.29 0.00 -0.02 0.00 0.00 56.01 53.34 1xzk n LEU 189 Cb 0.46 -0.58 0.01 0.00 -1.62 0.00 0.00 43.42 41.69 1xzk n LEU 189 CO 0.33 0.80 0.41 0.00 -1.22 0.00 0.00 177.39 177.71 1xzk n ALA 190 N 1.14 5.30 0.79 -1.18 0.00 -1.13 -4.71 120.51 120.71 1xzk n ALA 190 Ca 0.26 -4.18 0.10 0.00 0.00 0.00 0.00 53.44 49.62 1xzk n ALA 190 Cb 0.88 -0.74 0.09 0.00 0.00 0.00 0.00 19.45 19.68 1xzk n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xzk n TYR 191 N -0.54 0.04 -0.20 0.00 4.01 -1.26 -4.62 117.16 114.58 1xzk n TYR 191 Ca 0.43 -0.02 0.01 0.00 -0.16 0.00 0.00 57.90 58.16 1xzk n TYR 191 Cb 0.66 -0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.80 1xzk n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1xzk h GLY 192 N 3.96 0.73 1.01 2.72 0.00 -1.96 -1.07 103.07 108.45 1xzk h GLY 192 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1xzk h GLY 192 CO 0.00 -0.17 0.65 -2.55 0.00 0.00 0.00 176.54 174.46 1xzk h PRO 193 N 0.17 1.26 -0.39 4.80 0.11 -1.99 -0.54 132.00 135.43 1xzk h PRO 193 Ca 0.33 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.29 1xzk h PRO 193 Cb 0.52 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1xzk h PRO 193 CO -0.48 0.83 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.68 1xzk h ASP 194 N 1.30 0.70 -0.10 -2.05 3.32 -1.68 -1.42 116.42 116.49 1xzk h ASP 194 Ca 0.37 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1xzk h ASP 194 Cb -0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1xzk h ASP 194 CO -0.09 0.86 -0.08 0.00 -1.72 0.00 0.00 179.24 178.21 1xzk h ALA 195 N 0.87 1.42 0.00 3.45 0.00 -0.95 -0.99 119.26 123.06 1xzk h ALA 195 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1xzk h ALA 195 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xzk h ALA 195 CO 0.03 0.40 -0.56 0.00 0.00 0.00 0.00 179.25 179.11 1xzk h ARG 196 N 0.36 0.00 0.00 0.00 3.08 -0.90 -3.20 114.38 113.72 1xzk h ARG 196 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xzk h ARG 196 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1xzk h ARG 196 CO 0.02 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 179.83 1xzk n GLY 197 N 1.24 0.33 0.38 0.04 0.00 -0.55 -4.89 105.19 101.75 1xzk n GLY 197 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1xzk n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xzk h PRO 198 N 0.00 0.35 0.63 1.61 0.13 -1.76 -2.44 132.00 130.53 1xzk h PRO 198 Ca 0.00 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1xzk h PRO 198 Cb 0.00 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.06 1xzk h PRO 198 CO 0.00 0.23 -0.30 0.00 -0.23 0.00 0.00 178.00 177.70 1xzk h ALA 199 N 1.65 -0.85 -0.00 -0.56 0.00 -1.48 -1.93 119.26 116.08 1xzk h ALA 199 Ca 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1xzk h ALA 199 Cb 0.93 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1xzk h ALA 199 CO -0.11 -0.85 -0.23 -1.00 0.00 0.00 0.00 179.25 177.06 1xzk h PRO 200 N -1.11 0.00 0.24 0.00 0.13 -1.77 -2.17 132.00 127.33 1xzk h PRO 200 Ca -0.09 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1xzk h PRO 200 Cb 0.69 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1xzk h PRO 200 CO 0.14 0.23 -0.14 1.49 -0.23 0.00 0.00 178.00 179.50 1xzk h GLU 201 N 0.00 -0.35 -0.45 0.86 4.81 -1.45 0.73 114.58 118.74 1xzk h GLU 201 Ca -0.00 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1xzk h GLU 201 Cb 0.41 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1xzk h GLU 201 CO 0.03 -0.23 0.22 0.35 -0.73 0.00 0.00 179.01 178.65 1xzk h PHE 202 N -0.36 0.40 -0.20 0.92 3.57 -0.88 -1.44 116.94 118.95 1xzk h PHE 202 Ca -0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1xzk h PHE 202 Cb 0.29 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1xzk h PHE 202 CO -0.08 0.20 0.10 -0.07 -2.23 0.00 0.00 178.31 176.23 1xzk h LEU 203 N 0.44 0.15 -0.54 0.59 3.38 -1.08 -1.42 115.31 116.82 1xzk h LEU 203 Ca 0.20 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1xzk h LEU 203 Cb 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1xzk h LEU 203 CO -0.14 0.12 0.31 0.40 0.09 0.00 0.00 178.44 179.22 1xzk h ILE 204 N 0.21 1.03 -0.44 1.22 2.04 -0.61 -0.96 117.51 120.01 1xzk h ILE 204 Ca 0.08 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1xzk h ILE 204 Cb 0.02 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1xzk h ILE 204 CO -0.06 0.11 0.23 -0.08 0.00 0.00 0.00 178.15 178.35 1xzk h GLU 205 N 0.62 0.44 -0.39 2.37 4.81 -1.04 0.72 114.58 122.11 1xzk h GLU 205 Ca 0.22 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1xzk h GLU 205 Cb 0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xzk h GLU 205 CO -0.11 0.29 -0.22 0.87 -0.73 0.00 0.00 179.01 179.11 1xzk h LYS 206 N 0.45 0.78 -0.52 1.92 1.79 -0.71 -1.31 116.57 118.97 1xzk h LYS 206 Ca 0.19 -0.31 -0.10 0.00 -2.18 0.00 0.00 60.65 58.25 1xzk h LYS 206 Cb 0.08 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1xzk h LYS 206 CO -0.12 0.93 -0.05 0.28 -1.08 0.00 0.00 179.45 179.41 1xzk h VAL 207 N 0.68 1.27 -0.43 0.50 2.07 -0.85 -2.75 116.25 116.73 1xzk h VAL 207 Ca 0.09 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1xzk h VAL 207 Cb 0.73 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1xzk h VAL 207 CO 0.06 0.41 0.08 -0.09 0.02 0.00 0.00 177.57 178.05 1xzk h ARG 208 N 0.82 0.65 -0.27 1.57 9.65 -0.68 -0.10 114.38 126.03 1xzk h ARG 208 Ca 0.14 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 1xzk h ARG 208 Cb 0.59 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1xzk h ARG 208 CO 0.04 0.62 -0.09 0.00 2.80 0.00 0.00 179.97 183.33 1xzk h ALA 209 N 1.46 1.34 0.00 2.80 0.00 -0.97 0.85 119.26 124.74 1xzk h ALA 209 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xzk h ALA 209 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xzk h ALA 209 CO 0.00 0.45 -0.89 1.33 0.00 0.00 0.00 179.25 180.14 1xzk n VAL 210 N -4.24 0.14 -0.03 0.00 0.24 -0.83 -4.56 118.33 109.05 1xzk n VAL 210 Ca 0.01 -0.18 -0.05 0.00 -2.04 0.00 0.00 64.34 62.08 1xzk n VAL 210 Cb 0.29 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.88 1xzk n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xzk n ARG 211 N -1.85 0.15 0.00 7.34 1.74 -0.11 -5.10 116.66 118.82 1xzk n ARG 211 Ca 0.03 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1xzk n ARG 211 Cb 0.41 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1xzk n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xzk n GLY 212 N 3.05 1.58 0.00 -0.13 0.00 0.29 -5.05 105.19 104.94 1xzk n GLY 212 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1xzk n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06