#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cuw n THR 18 N 0.00 0.51 -3.83 5.15 -2.24 -1.26 -4.77 114.28 107.84 1cuw n THR 18 Ca 0.00 -0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 60.96 1cuw n THR 18 Cb 0.00 0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.39 1cuw n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cuw s THR 19 N -1.49 0.90 -0.11 4.28 2.01 -1.26 -0.75 115.64 119.22 1cuw s THR 19 Ca 0.29 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1cuw s THR 19 Cb 0.15 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1cuw s THR 19 CO 0.21 -0.01 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.81 1cuw s ARG 20 N 1.71 2.61 -0.53 4.92 1.81 -1.26 -4.97 118.95 123.24 1cuw s ARG 20 Ca -0.00 -0.71 0.04 0.00 -1.72 0.00 0.00 55.73 53.33 1cuw s ARG 20 Cb -0.16 -2.10 0.16 0.00 -0.45 0.00 0.00 34.95 32.40 1cuw s ARG 20 CO -0.07 0.02 0.37 -0.51 -0.68 0.00 0.00 175.30 174.43 1cuw s ASP 21 N 0.74 3.25 -0.07 0.23 1.01 -1.26 -2.54 116.67 118.04 1cuw s ASP 21 Ca -0.11 -3.25 0.21 0.00 0.71 0.00 0.00 52.55 50.11 1cuw s ASP 21 Cb -0.16 -1.03 -0.31 0.00 1.01 0.00 0.00 42.92 42.43 1cuw s ASP 21 CO 0.01 -0.16 0.37 0.47 0.21 0.00 0.00 175.17 176.08 1cuw n ASP 22 N 2.70 0.13 -0.06 0.27 8.00 -0.98 -4.20 116.55 122.41 1cuw n ASP 22 Ca 0.21 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.65 1cuw n ASP 22 Cb 0.40 1.74 -0.04 0.00 -0.02 0.00 0.00 41.12 43.20 1cuw n ASP 22 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1cuw h LEU 23 N 0.00 0.00 -0.55 0.64 5.85 -1.92 -2.03 115.31 117.30 1cuw h LEU 23 Ca -0.12 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1cuw h LEU 23 Cb 1.26 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 1cuw h LEU 23 CO 0.01 0.73 -0.40 0.40 -0.34 0.00 0.00 178.44 178.84 1cuw h ILE 24 N -1.00 0.12 -0.01 4.05 2.04 -1.97 0.29 117.51 121.04 1cuw h ILE 24 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1cuw h ILE 24 Cb 0.42 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1cuw h ILE 24 CO -0.01 0.00 -0.09 0.59 0.00 0.00 0.00 178.15 178.63 1cuw n ASN 25 N -5.42 0.61 -4.67 1.72 3.02 -1.26 -4.95 115.26 104.32 1cuw n ASN 25 Ca 0.02 -0.79 -0.47 0.00 -0.03 0.00 0.00 54.58 53.31 1cuw n ASN 25 Cb 0.35 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1cuw n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cuw n GLY 26 N 1.24 1.15 3.62 7.41 0.00 0.10 -4.96 105.19 113.76 1cuw n GLY 26 Ca 0.16 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 1cuw n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cuw s ASN 27 N 1.68 6.79 0.43 1.61 2.47 -1.26 -4.93 114.94 121.72 1cuw s ASN 27 Ca 0.83 0.83 0.14 0.00 0.42 0.00 0.00 52.86 55.08 1cuw s ASN 27 Cb -0.71 -2.47 1.02 0.00 -1.45 0.00 0.00 41.25 37.65 1cuw s ASN 27 CO 0.42 -0.73 1.95 -1.28 -3.72 0.00 0.00 177.10 173.74 1cuw h SER 28 N 8.10 0.39 0.00 -4.21 0.87 -1.93 0.16 113.55 116.94 1cuw h SER 28 Ca -0.23 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1cuw h SER 28 Cb 1.08 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1cuw h SER 28 CO 0.95 0.23 0.00 0.00 -0.53 0.00 0.00 176.83 177.48 1cuw n ALA 29 N -2.52 2.22 -2.70 6.23 0.00 -1.26 -3.15 120.51 119.32 1cuw n ALA 29 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1cuw n ALA 29 Cb 0.43 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.81 1cuw n ALA 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cuw n SER 30 N -0.69 -0.12 -4.77 0.00 3.41 0.04 -5.13 113.62 106.35 1cuw n SER 30 Ca 0.06 -2.66 -0.41 0.00 -0.26 0.00 0.00 58.87 55.61 1cuw n SER 30 Cb 0.03 0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1cuw n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cuw s ALA 32 N -1.15 2.98 -0.46 0.00 0.00 -1.26 -4.96 121.76 116.90 1cuw s ALA 32 Ca 0.54 0.11 0.24 0.00 0.00 0.00 0.00 51.96 52.85 1cuw s ALA 32 Cb -0.45 -3.13 0.29 0.00 0.00 0.00 0.00 23.12 19.84 1cuw s ALA 32 CO 0.60 -0.61 1.38 -0.44 0.00 0.00 0.00 175.76 176.69 1cuw h ASP 33 N 0.21 0.00 -4.28 0.00 5.19 -1.71 -3.42 116.42 112.41 1cuw h ASP 33 Ca -0.45 -0.05 -0.26 0.00 -0.62 0.00 0.00 57.03 55.65 1cuw h ASP 33 Cb 1.20 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.45 1cuw h ASP 33 CO 0.60 0.03 -0.73 -0.69 -3.12 0.00 0.00 179.24 175.33 1cuw s VAL 34 N -3.23 0.27 -0.06 -1.35 1.01 -1.05 -1.75 120.40 114.23 1cuw s VAL 34 Ca 0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1cuw s VAL 34 Cb 0.10 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1cuw s VAL 34 CO 0.71 -0.16 -0.01 -0.63 0.00 0.00 0.00 175.10 175.02 1cuw s ILE 35 N -0.65 0.35 -0.32 2.22 1.01 -0.64 -1.41 121.20 121.75 1cuw s ILE 35 Ca -0.05 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1cuw s ILE 35 Cb -0.05 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1cuw s ILE 35 CO -0.00 0.23 0.14 0.12 0.00 0.00 0.00 174.94 175.42 1cuw s PHE 36 N 1.57 3.18 -0.26 3.97 5.36 -0.08 -1.27 117.98 130.45 1cuw s PHE 36 Ca -0.01 -0.78 -0.07 0.00 -0.96 0.00 0.00 56.93 55.11 1cuw s PHE 36 Cb -0.13 -2.34 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1cuw s PHE 36 CO -0.03 -0.53 0.07 0.42 -1.46 0.00 0.00 175.22 173.68 1cuw s ILE 37 N 1.56 4.17 0.08 3.12 1.01 -0.44 -0.25 121.20 130.46 1cuw s ILE 37 Ca 0.03 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1cuw s ILE 37 Cb -0.18 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1cuw s ILE 37 CO 0.05 0.28 -0.21 -0.47 0.00 0.00 0.00 174.94 174.59 1cuw s TYR 38 N 1.58 1.83 -0.13 3.97 6.14 -0.28 -2.09 117.35 128.37 1cuw s TYR 38 Ca 0.06 -0.40 0.01 0.00 0.64 0.00 0.00 57.07 57.37 1cuw s TYR 38 Cb -0.16 -1.03 0.02 0.00 0.42 0.00 0.00 41.96 41.22 1cuw s TYR 38 CO 0.03 0.18 -0.14 0.00 0.64 0.00 0.00 175.55 176.26 1cuw s ALA 39 N -1.04 1.74 1.07 3.97 0.00 -0.60 -1.25 121.76 125.65 1cuw s ALA 39 Ca 0.07 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 1cuw s ALA 39 Cb -0.10 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 22.15 1cuw s ALA 39 CO 0.04 -0.30 0.38 2.89 0.00 0.00 0.00 175.76 178.77 1cuw n ARG 40 N 4.62 -1.55 -4.10 0.00 1.85 -1.26 -1.59 116.66 114.63 1cuw n ARG 40 Ca -0.17 -0.61 -0.24 0.00 -1.00 0.00 0.00 57.85 55.83 1cuw n ARG 40 Cb 0.50 -0.54 -0.07 0.00 -1.05 0.00 0.00 32.46 31.30 1cuw n ARG 40 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1cuw s GLY 41 N -3.29 2.29 0.08 2.89 0.00 -1.21 -2.05 107.32 106.04 1cuw s GLY 41 Ca 0.24 -2.08 -0.36 0.00 0.00 0.00 0.00 44.72 42.53 1cuw s GLY 41 CO 0.18 -1.89 0.96 1.44 0.00 0.00 0.00 173.10 173.79 1cuw n SER 42 N -1.24 -0.04 0.00 1.64 7.64 -1.26 -1.48 113.62 118.88 1cuw n SER 42 Ca -0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1cuw n SER 42 Cb 0.64 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1cuw n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1cuw n THR 43 N 1.17 0.00 -1.86 0.44 -1.04 0.07 -4.98 114.28 108.07 1cuw n THR 43 Ca 0.19 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.80 1cuw n THR 43 Cb 0.15 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.68 1cuw n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1cuw s GLU 44 N 0.00 3.70 0.55 -2.82 2.02 -0.55 -5.00 118.70 116.60 1cuw s GLU 44 Ca 0.00 2.33 -0.16 0.00 0.02 0.00 0.00 54.97 57.16 1cuw s GLU 44 Cb 0.00 -2.64 -0.06 0.00 0.10 0.00 0.00 34.13 31.53 1cuw s GLU 44 CO 0.00 -0.77 1.02 0.95 0.02 0.00 0.00 175.26 176.48 1cuw s THR 45 N -1.23 4.18 0.00 3.63 -4.23 -1.26 -4.86 115.64 111.87 1cuw s THR 45 Ca 0.61 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 1cuw s THR 45 Cb -0.42 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1cuw s THR 45 CO 0.53 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1cuw n GLY 46 N -1.24 0.74 0.00 3.99 0.00 -1.26 -2.29 105.19 105.12 1cuw n GLY 46 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1cuw n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cuw n ASN 47 N -1.62 1.90 0.00 1.61 2.04 -0.06 -4.71 115.26 114.43 1cuw n ASN 47 Ca 0.00 -1.91 0.00 0.00 -0.44 0.00 0.00 54.58 52.23 1cuw n ASN 47 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1cuw n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1cuw n LEU 48 N -0.46 0.00 0.00 -4.53 4.77 0.07 -3.20 117.00 113.66 1cuw n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cuw n LEU 48 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1cuw n LEU 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1cuw n GLY 49 N 2.68 0.12 0.07 -0.72 0.00 -0.97 -2.34 105.19 104.03 1cuw n GLY 49 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1cuw n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cuw h THR 50 N 0.00 1.34 0.11 2.61 1.35 -1.96 -3.39 112.91 112.97 1cuw h THR 50 Ca 0.00 -3.09 -0.37 0.00 -0.55 0.00 0.00 66.41 62.40 1cuw h THR 50 Cb 0.00 2.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 1cuw h THR 50 CO 0.00 0.77 -2.04 0.18 -0.25 0.00 0.00 175.52 174.17 1cuw n LEU 51 N -3.22 2.62 -0.37 3.87 4.77 -1.26 -4.55 117.00 118.86 1cuw n LEU 51 Ca -0.06 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1cuw n LEU 51 Cb 0.97 -1.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1cuw n LEU 51 CO 0.46 0.85 0.58 1.23 -1.33 0.00 0.00 177.39 179.18 1cuw h GLY 52 N 1.29 -0.04 1.14 -0.72 0.00 -1.65 -0.30 103.07 102.79 1cuw h GLY 52 Ca -0.44 0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.50 1cuw h GLY 52 CO 0.07 -0.18 0.42 -2.55 0.00 0.00 0.00 176.54 174.30 1cuw h PRO 53 N -0.02 0.59 -0.33 4.80 0.11 -1.80 -2.62 132.00 132.74 1cuw h PRO 53 Ca 0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1cuw h PRO 53 Cb 0.58 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1cuw h PRO 53 CO -0.96 0.39 0.21 0.77 -0.21 0.00 0.00 178.00 178.21 1cuw h SER 54 N 0.61 0.38 -0.41 -2.05 0.02 -1.29 -2.13 113.55 108.68 1cuw h SER 54 Ca 0.27 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1cuw h SER 54 Cb 0.29 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1cuw h SER 54 CO -0.08 0.29 -0.00 0.40 -1.14 0.00 0.00 176.83 176.29 1cuw h ILE 55 N 0.44 1.26 -0.47 3.27 2.04 -1.47 -3.21 117.51 119.38 1cuw h ILE 55 Ca 0.12 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1cuw h ILE 55 Cb -0.04 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1cuw h ILE 55 CO -0.03 0.34 0.18 0.00 0.00 0.00 0.00 178.15 178.65 1cuw h ALA 56 N 0.89 0.58 -0.72 1.87 0.00 -1.24 -1.59 119.26 119.04 1cuw h ALA 56 Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1cuw h ALA 56 Cb 0.48 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1cuw h ALA 56 CO 0.02 -0.20 0.48 0.77 0.00 0.00 0.00 179.25 180.31 1cuw h SER 57 N 0.37 0.68 -0.41 0.00 0.02 -1.39 -1.40 113.55 111.42 1cuw h SER 57 Ca 0.22 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 1cuw h SER 57 Cb 0.21 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1cuw h SER 57 CO -0.21 0.44 -0.34 0.78 -1.14 0.00 0.00 176.83 176.36 1cuw h ASN 58 N 0.78 1.01 -0.24 3.07 2.35 -1.33 -2.41 115.58 118.80 1cuw h ASN 58 Ca 0.31 -0.44 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 1cuw h ASN 58 Cb 0.23 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1cuw h ASN 58 CO -0.10 1.24 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.63 1cuw h LEU 59 N 0.79 0.71 -0.95 1.61 3.38 -0.41 -2.26 115.31 118.18 1cuw h LEU 59 Ca 0.07 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1cuw h LEU 59 Cb 0.94 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1cuw h LEU 59 CO 0.09 0.92 -0.49 -0.33 0.09 0.00 0.00 178.44 178.72 1cuw h GLU 60 N 0.62 0.08 -0.05 1.13 5.08 -1.21 -1.36 114.58 118.88 1cuw h GLU 60 Ca 0.09 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1cuw h GLU 60 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 1cuw h GLU 60 CO 0.06 0.56 -0.38 0.77 -1.00 0.00 0.00 179.01 179.01 1cuw h SER 61 N 0.07 0.42 -0.53 1.42 0.02 -1.21 0.58 113.55 114.32 1cuw h SER 61 Ca 0.00 -0.69 -0.10 0.00 -0.84 0.00 0.00 61.79 60.17 1cuw h SER 61 Cb 0.89 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1cuw h SER 61 CO 0.07 1.04 -0.03 0.00 -1.14 0.00 0.00 176.83 176.77 1cuw h ALA 62 N 0.39 0.88 0.00 3.77 0.00 -1.39 -3.35 119.26 119.56 1cuw h ALA 62 Ca -0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.28 1cuw h ALA 62 Cb 1.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1cuw h ALA 62 CO 0.08 0.65 -2.08 1.19 0.00 0.00 0.00 179.25 179.09 1cuw n PHE 63 N -4.17 0.00 0.00 0.00 3.72 -0.52 -5.11 117.46 111.38 1cuw n PHE 63 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1cuw n PHE 63 Cb 0.35 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 1cuw n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cuw n GLY 64 N 2.23 2.91 0.22 1.37 0.00 0.20 -4.21 105.19 107.92 1cuw n GLY 64 Ca -0.29 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 43.90 1cuw n GLY 64 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cuw h LYS 65 N 0.00 0.27 0.00 1.61 3.11 -1.92 0.16 116.57 119.80 1cuw h LYS 65 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1cuw h LYS 65 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 1cuw h LYS 65 CO 0.00 0.18 0.00 -0.25 -2.81 0.00 0.00 179.45 176.57 1cuw n ASP 66 N -5.10 0.00 0.02 4.20 9.92 -1.26 -3.60 116.55 120.73 1cuw n ASP 66 Ca 0.08 -0.47 -0.04 0.00 -0.53 0.00 0.00 54.79 53.83 1cuw n ASP 66 Cb 0.30 -0.15 -0.10 0.00 -0.64 0.00 0.00 41.12 40.52 1cuw n ASP 66 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1cuw h GLY 67 N 4.47 0.00 -4.54 0.44 0.00 -0.85 -3.42 103.07 99.18 1cuw h GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1cuw h GLY 67 CO 0.00 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.34 1cuw s VAL 68 N -2.76 0.63 -0.16 4.60 0.11 -1.19 -2.28 120.40 119.35 1cuw s VAL 68 Ca -0.02 -1.20 -0.01 0.00 -2.93 0.00 0.00 61.98 57.81 1cuw s VAL 68 Cb 0.08 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1cuw s VAL 68 CO 0.81 -0.42 -0.10 0.26 -3.33 0.00 0.00 175.10 172.32 1cuw s TRP 69 N -1.61 2.87 -0.22 1.54 0.51 -0.50 -4.94 118.94 116.58 1cuw s TRP 69 Ca -0.07 -0.75 -0.09 0.00 -2.12 0.00 0.00 56.10 53.07 1cuw s TRP 69 Cb -0.08 -1.93 -0.04 0.00 -0.81 0.00 0.00 33.47 30.60 1cuw s TRP 69 CO 0.00 -0.33 0.11 0.42 -0.51 0.00 0.00 176.95 176.64 1cuw s ILE 70 N 0.73 4.94 -0.06 2.03 -1.09 -1.26 -0.90 121.20 125.59 1cuw s ILE 70 Ca -0.05 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1cuw s ILE 70 Cb -0.15 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 1cuw s ILE 70 CO 0.02 0.38 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.46 1cuw s GLN 71 N 0.99 1.10 0.43 2.79 2.00 0.66 -2.31 119.66 125.32 1cuw s GLN 71 Ca 0.06 -0.17 0.05 0.00 -2.00 0.00 0.00 55.36 53.30 1cuw s GLN 71 Cb -0.14 -1.08 0.01 0.00 0.80 0.00 0.00 33.01 32.60 1cuw s GLN 71 CO 0.03 -0.11 0.60 0.20 -0.50 0.00 0.00 175.29 175.52 1cuw s GLY 72 N 1.09 1.81 -0.55 2.59 0.00 -1.05 -1.12 107.32 110.09 1cuw s GLY 72 Ca -0.08 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.04 1cuw s GLY 72 CO -0.01 -1.31 0.44 0.14 0.00 0.00 0.00 173.10 172.37 1cuw s VAL 73 N -2.43 4.56 0.00 1.40 1.01 -0.38 -4.81 120.40 119.75 1cuw s VAL 73 Ca 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1cuw s VAL 73 Cb -0.10 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1cuw s VAL 73 CO 0.34 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1cuw n GLY 74 N 4.72 0.70 7.00 4.51 0.00 -1.26 -4.74 105.19 116.12 1cuw n GLY 74 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cuw n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cuw n GLY 75 N 5.00 2.22 0.13 -0.02 0.00 -1.26 -0.49 105.19 110.76 1cuw n GLY 75 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.56 1cuw n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cuw h ALA 76 N -0.43 0.85 -1.61 4.61 0.00 -1.94 -3.43 119.26 117.32 1cuw h ALA 76 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1cuw h ALA 76 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1cuw h ALA 76 CO 0.00 0.00 1.13 -0.47 0.00 0.00 0.00 179.25 179.91 1cuw s TYR 77 N -3.18 2.21 -0.53 0.00 5.04 0.35 -4.61 117.35 116.63 1cuw s TYR 77 Ca 0.07 0.51 0.04 0.00 -2.44 0.00 0.00 57.07 55.25 1cuw s TYR 77 Cb 0.10 -4.35 0.39 0.00 0.35 0.00 0.00 41.96 38.46 1cuw s TYR 77 CO 0.67 -2.06 1.21 2.89 -1.34 0.00 0.00 175.55 176.91 1cuw n ARG 78 N 8.67 3.38 -0.10 4.97 1.85 -1.26 -4.69 116.66 129.49 1cuw n ARG 78 Ca 0.14 -4.47 0.00 0.00 -1.00 0.00 0.00 57.85 52.52 1cuw n ARG 78 Cb 0.49 -2.26 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 1cuw n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1cuw n ALA 79 N -0.43 -0.05 -2.42 2.89 0.00 -1.26 -4.85 120.51 114.39 1cuw n ALA 79 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 1cuw n ALA 79 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1cuw n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cuw s THR 80 N -0.06 4.93 0.02 0.00 2.01 -1.26 -0.75 115.64 120.53 1cuw s THR 80 Ca 0.00 0.59 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 1cuw s THR 80 Cb 0.00 -3.67 -0.17 0.00 0.01 0.00 0.00 72.50 68.68 1cuw s THR 80 CO 0.00 0.11 1.30 -0.07 -0.69 0.00 0.00 174.62 175.27 1cuw h LEU 81 N 3.11 -0.42 -2.28 4.42 4.07 -1.96 -3.26 115.31 119.00 1cuw h LEU 81 Ca -0.48 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.38 1cuw h LEU 81 Cb 1.18 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 1cuw h LEU 81 CO 0.68 -0.09 0.23 0.00 -1.08 0.00 0.00 178.44 178.18 1cuw h ALA 82 N -0.27 1.48 0.00 1.53 0.00 -2.00 -1.62 119.26 118.37 1cuw h ALA 82 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cuw h ALA 82 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cuw h ALA 82 CO 0.08 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 1cuw n ASP 83 N -3.28 0.00 0.22 0.00 8.00 -1.23 -2.32 116.55 117.95 1cuw n ASP 83 Ca -0.00 -0.03 0.10 0.00 0.71 0.00 0.00 54.79 55.57 1cuw n ASP 83 Cb 0.32 -0.29 0.44 0.00 -0.02 0.00 0.00 41.12 41.56 1cuw n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1cuw h ASN 84 N 0.00 0.00 0.13 -2.24 2.35 -1.47 -2.84 115.58 111.51 1cuw h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cuw h ASN 84 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1cuw h ASN 84 CO 0.00 0.21 -0.05 0.49 -1.65 0.00 0.00 177.43 176.44 1cuw n PHE 85 N -3.34 0.00 -2.26 1.19 3.72 -0.98 -4.39 117.46 111.40 1cuw n PHE 85 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1cuw n PHE 85 Cb 0.44 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1cuw n PHE 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1cuw s LEU 86 N -2.19 3.61 0.20 4.37 1.43 -1.11 -4.92 118.68 120.07 1cuw s LEU 86 Ca 0.37 1.76 -0.08 0.00 -1.03 0.00 0.00 54.13 55.15 1cuw s LEU 86 Cb 0.21 -4.53 0.30 0.00 0.03 0.00 0.00 46.19 42.19 1cuw s LEU 86 CO 0.40 -0.90 1.16 -2.65 0.23 0.00 0.00 176.35 174.59 1cuw n PRO 87 N -1.66 -0.10 -1.03 1.29 -0.02 -1.26 -0.01 135.00 132.21 1cuw n PRO 87 Ca 0.08 1.16 -0.07 0.00 -2.02 0.00 0.00 63.50 62.65 1cuw n PRO 87 Cb 0.53 -1.73 0.30 0.00 -0.02 0.00 0.00 33.50 32.59 1cuw n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1cuw n ARG 88 N -5.18 3.63 -1.34 -0.52 1.74 -1.26 -4.89 116.66 108.83 1cuw n ARG 88 Ca 0.11 -3.10 -0.12 0.00 -0.77 0.00 0.00 57.85 53.97 1cuw n ARG 88 Cb 0.35 -2.21 -0.05 0.00 -1.02 0.00 0.00 32.46 29.53 1cuw n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cuw n GLY 89 N -0.23 1.24 3.64 -0.13 0.00 0.99 -4.78 105.19 105.93 1cuw n GLY 89 Ca 0.42 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 1cuw n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cuw s THR 90 N -2.30 0.00 0.57 2.61 -1.32 -1.09 -4.55 115.64 109.56 1cuw s THR 90 Ca 0.00 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.03 1cuw s THR 90 Cb 0.00 -1.90 -0.05 0.00 -1.51 0.00 0.00 72.50 69.05 1cuw s THR 90 CO 0.00 0.00 1.03 -0.94 -2.21 0.00 0.00 174.62 172.50 1cuw s SER 91 N -2.90 6.04 0.16 8.08 1.04 -1.26 -4.74 113.70 120.13 1cuw s SER 91 Ca 0.13 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 1cuw s SER 91 Cb 0.03 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.68 1cuw s SER 91 CO -0.03 -0.99 1.69 0.28 0.98 0.00 0.00 173.24 175.17 1cuw h SER 92 N 0.52 0.83 -0.18 7.02 0.02 -2.01 -3.04 113.55 116.71 1cuw h SER 92 Ca -0.47 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 60.31 1cuw h SER 92 Cb 1.21 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1cuw h SER 92 CO 0.59 0.82 -0.10 0.00 -1.14 0.00 0.00 176.83 177.01 1cuw h ALA 93 N 1.03 0.06 -0.87 3.77 0.00 -1.95 -2.73 119.26 118.57 1cuw h ALA 93 Ca 0.18 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1cuw h ALA 93 Cb 0.30 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1cuw h ALA 93 CO -0.00 -0.53 0.55 0.00 0.00 0.00 0.00 179.25 179.27 1cuw h ALA 94 N 1.08 1.19 -0.56 0.00 0.00 -1.79 -2.40 119.26 116.78 1cuw h ALA 94 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1cuw h ALA 94 Cb 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1cuw h ALA 94 CO -0.24 0.31 0.32 0.82 0.00 0.00 0.00 179.25 180.47 1cuw h ILE 95 N 1.01 1.01 -0.38 0.00 2.04 -1.38 -1.60 117.51 118.22 1cuw h ILE 95 Ca 0.37 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 1cuw h ILE 95 Cb 0.14 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1cuw h ILE 95 CO -0.16 0.11 0.02 0.03 0.00 0.00 0.00 178.15 178.15 1cuw h ARG 96 N 0.62 0.58 0.76 2.37 -0.00 -1.33 -0.49 114.38 116.89 1cuw h ARG 96 Ca 0.24 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.98 59.56 1cuw h ARG 96 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1cuw h ARG 96 CO -0.13 0.59 -0.42 1.49 0.00 0.00 0.00 179.97 181.50 1cuw h GLU 97 N 0.56 -1.05 -0.83 0.04 4.57 -0.96 0.32 114.58 117.22 1cuw h GLU 97 Ca 0.12 0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1cuw h GLU 97 Cb 0.32 0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 1cuw h GLU 97 CO 0.01 -0.70 0.53 1.98 -1.18 0.00 0.00 179.01 179.65 1cuw h MET 98 N -1.09 0.98 -0.83 1.92 4.05 -1.29 -1.32 114.93 117.35 1cuw h MET 98 Ca -0.10 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1cuw h MET 98 Cb 0.86 -0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 1cuw h MET 98 CO 0.14 0.65 0.52 -0.07 0.23 0.00 0.00 176.91 178.38 1cuw h LEU 99 N 1.01 0.83 -1.14 3.39 3.38 -0.91 -2.10 115.31 119.78 1cuw h LEU 99 Ca 0.34 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1cuw h LEU 99 Cb 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1cuw h LEU 99 CO -0.13 0.55 0.52 1.23 0.09 0.00 0.00 178.44 180.70 1cuw h GLY 100 N 0.98 1.18 1.11 0.83 0.00 0.78 -2.53 103.07 105.42 1cuw h GLY 100 Ca 0.35 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1cuw h GLY 100 CO -0.15 0.45 0.09 1.41 0.00 0.00 0.00 176.54 178.35 1cuw h LEU 101 N 1.13 1.04 -0.39 3.11 3.38 -0.88 -2.03 115.31 120.68 1cuw h LEU 101 Ca 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cuw h LEU 101 Cb -0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1cuw h LEU 101 CO -0.06 1.04 0.25 -0.26 0.09 0.00 0.00 178.44 179.49 1cuw h PHE 102 N 1.01 0.50 -0.79 1.13 0.04 -1.22 -1.24 116.94 116.38 1cuw h PHE 102 Ca 0.20 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 1cuw h PHE 102 Cb 0.45 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1cuw h PHE 102 CO 0.03 0.33 0.41 1.96 -0.60 0.00 0.00 178.31 180.45 1cuw h GLN 103 N 0.52 1.11 -0.33 1.51 4.20 -1.37 -2.04 115.11 118.71 1cuw h GLN 103 Ca 0.14 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1cuw h GLN 103 Cb -0.03 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1cuw h GLN 103 CO -0.03 0.84 0.17 0.37 -0.67 0.00 0.00 178.83 179.51 1cuw h GLN 104 N 1.10 0.47 -0.40 1.46 4.15 -1.05 -1.80 115.11 119.03 1cuw h GLN 104 Ca 0.27 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.64 1cuw h GLN 104 Cb 0.07 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1cuw h GLN 104 CO -0.04 0.41 0.24 0.00 -1.93 0.00 0.00 178.83 177.52 1cuw h ALA 105 N 1.03 0.50 -0.07 3.38 0.00 -0.92 -0.68 119.26 122.50 1cuw h ALA 105 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cuw h ALA 105 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1cuw h ALA 105 CO -0.02 -0.08 -0.04 -0.97 0.00 0.00 0.00 179.25 178.15 1cuw h ASN 106 N 0.50 0.09 0.08 0.00 -1.24 -1.24 -1.32 115.58 112.45 1cuw h ASN 106 Ca 0.15 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1cuw h ASN 106 Cb -0.02 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1cuw h ASN 106 CO -0.06 0.15 -0.04 0.74 -1.29 0.00 0.00 177.43 176.93 1cuw h THR 107 N 0.10 0.00 -0.58 -3.57 2.02 -0.44 -3.06 112.91 107.37 1cuw h THR 107 Ca 0.02 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.07 1cuw h THR 107 Cb 0.14 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.48 1cuw h THR 107 CO 0.01 0.00 0.21 0.11 0.37 0.00 0.00 175.52 176.21 1cuw h LYS 108 N -0.34 0.37 -2.90 6.66 1.57 -1.18 -3.35 116.57 117.40 1cuw h LYS 108 Ca -0.01 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 58.14 1cuw h LYS 108 Cb 0.08 -0.08 -0.40 0.00 0.08 0.00 0.00 32.23 31.91 1cuw h LYS 108 CO 0.02 0.25 -0.75 0.00 -0.57 0.00 0.00 179.45 178.39 1cuw n PRO 110 N 3.27 0.10 -0.04 0.00 -0.04 -1.16 -2.78 135.00 134.36 1cuw n PRO 110 Ca 0.13 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 1cuw n PRO 110 Cb 0.36 -1.68 0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1cuw n PRO 110 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1cuw n ASP 111 N -1.87 2.81 -4.79 3.54 8.00 -1.26 -4.97 116.55 118.01 1cuw n ASP 111 Ca 0.03 -1.87 -0.38 0.00 0.71 0.00 0.00 54.79 53.29 1cuw n ASP 111 Cb 0.23 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1cuw n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cuw s ALA 112 N -1.63 3.40 0.14 2.24 0.00 -1.12 -4.99 121.76 119.81 1cuw s ALA 112 Ca 0.26 0.30 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 1cuw s ALA 112 Cb 0.18 -2.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 1cuw s ALA 112 CO 0.26 0.29 0.77 0.99 0.00 0.00 0.00 175.76 178.07 1cuw s THR 113 N -1.36 4.44 0.03 0.00 2.01 -0.72 -4.94 115.64 115.10 1cuw s THR 113 Ca 0.40 1.67 0.02 0.00 0.31 0.00 0.00 61.69 64.10 1cuw s THR 113 Cb -0.20 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1cuw s THR 113 CO 0.24 0.50 0.03 -0.76 -0.69 0.00 0.00 174.62 173.94 1cuw s LEU 114 N -0.99 3.65 0.03 4.42 1.43 -0.55 -1.63 118.68 125.04 1cuw s LEU 114 Ca 0.36 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1cuw s LEU 114 Cb -0.23 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1cuw s LEU 114 CO 0.25 0.24 0.03 0.27 0.23 0.00 0.00 176.35 177.38 1cuw s ILE 115 N -1.21 0.14 0.11 -0.59 -4.36 -0.40 0.03 121.20 114.92 1cuw s ILE 115 Ca 0.23 -1.13 -0.09 0.00 -0.26 0.00 0.00 60.65 59.40 1cuw s ILE 115 Cb -0.12 -0.76 -0.00 0.00 1.25 0.00 0.00 42.46 42.83 1cuw s ILE 115 CO 0.15 -0.62 0.22 0.00 0.24 0.00 0.00 174.94 174.92 1cuw s ALA 116 N -2.37 -0.20 0.18 2.27 0.00 -0.83 -1.33 121.76 119.48 1cuw s ALA 116 Ca -0.07 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 1cuw s ALA 116 Cb -0.03 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.72 1cuw s ALA 116 CO -0.04 -0.55 0.54 0.20 0.00 0.00 0.00 175.76 175.92 1cuw s GLY 117 N -2.88 -0.31 -0.02 0.00 0.00 -0.89 -1.67 107.32 101.55 1cuw s GLY 117 Ca 0.08 0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 1cuw s GLY 117 CO -0.08 -0.11 0.78 -0.32 0.00 0.00 0.00 173.10 173.36 1cuw s GLY 118 N -2.82 -0.49 -0.07 0.20 0.00 -0.93 -1.55 107.32 101.65 1cuw s GLY 118 Ca 0.05 1.23 0.03 0.00 0.00 0.00 0.00 44.72 46.03 1cuw s GLY 118 CO -0.07 0.67 -0.15 -0.47 0.00 0.00 0.00 173.10 173.08 1cuw s TYR 119 N -2.14 1.68 0.00 1.90 5.04 -0.62 -1.51 117.35 121.70 1cuw s TYR 119 Ca -0.03 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 1cuw s TYR 119 Cb -0.01 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 41.12 1cuw s TYR 119 CO -0.01 -0.28 0.00 0.45 -1.34 0.00 0.00 175.55 174.37 1cuw n SER 120 N 3.66 0.00 0.15 4.32 2.88 -0.70 -0.70 113.62 123.24 1cuw n SER 120 Ca -0.21 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.37 1cuw n SER 120 Cb 0.52 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.45 1cuw n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1cuw h GLN 121 N 0.00 0.19 0.00 -1.46 4.15 -1.88 0.69 115.11 116.80 1cuw h GLN 121 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1cuw h GLN 121 Cb 0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1cuw h GLN 121 CO 0.00 0.26 -0.19 0.78 -1.93 0.00 0.00 178.83 177.75 1cuw h GLY 122 N 0.51 0.00 0.76 2.39 0.00 -0.31 0.34 103.07 106.76 1cuw h GLY 122 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1cuw h GLY 122 CO 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.39 1cuw h ALA 123 N 1.81 0.23 -0.65 3.60 0.00 -0.90 0.13 119.26 123.49 1cuw h ALA 123 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1cuw h ALA 123 Cb 0.65 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1cuw h ALA 123 CO 0.02 0.12 0.33 0.00 0.00 0.00 0.00 179.25 179.73 1cuw h ALA 124 N 0.62 0.84 -0.16 0.00 0.00 -0.90 -2.08 119.26 117.57 1cuw h ALA 124 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1cuw h ALA 124 Cb 0.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1cuw h ALA 124 CO 0.04 0.38 0.07 1.25 0.00 0.00 0.00 179.25 180.99 1cuw h LEU 125 N 0.89 0.10 -0.73 0.00 5.85 -0.82 -0.57 115.31 120.04 1cuw h LEU 125 Ca 0.23 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1cuw h LEU 125 Cb 0.08 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1cuw h LEU 125 CO -0.03 0.08 0.47 0.00 -0.34 0.00 0.00 178.44 178.62 1cuw h ALA 126 N 1.09 0.95 0.14 1.25 0.00 -0.77 0.11 119.26 122.02 1cuw h ALA 126 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cuw h ALA 126 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1cuw h ALA 126 CO -0.05 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 1cuw h ALA 127 N 1.30 -0.19 -0.26 0.00 0.00 -0.98 -1.97 119.26 117.16 1cuw h ALA 127 Ca 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cuw h ALA 127 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cuw h ALA 127 CO -0.09 -0.55 0.16 0.00 0.00 0.00 0.00 179.25 178.76 1cuw h ALA 128 N 0.56 0.33 0.24 0.00 0.00 -0.86 -2.08 119.26 117.46 1cuw h ALA 128 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1cuw h ALA 128 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1cuw h ALA 128 CO 0.03 -0.16 -0.12 0.77 0.00 0.00 0.00 179.25 179.78 1cuw h SER 129 N 0.33 -0.27 0.04 0.00 0.02 -0.96 -2.18 113.55 110.53 1cuw h SER 129 Ca 0.09 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1cuw h SER 129 Cb 0.02 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cuw h SER 129 CO -0.02 -0.12 -0.03 0.40 -1.14 0.00 0.00 176.83 175.92 1cuw h ILE 130 N -0.41 0.90 -0.41 3.27 2.04 -1.38 -1.24 117.51 120.29 1cuw h ILE 130 Ca -0.03 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1cuw h ILE 130 Cb 0.31 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1cuw h ILE 130 CO 0.05 0.03 -0.25 -0.08 0.00 0.00 0.00 178.15 177.90 1cuw h GLU 131 N 0.00 0.84 -0.01 2.37 4.81 -1.01 -2.96 114.58 118.61 1cuw h GLU 131 Ca -0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1cuw h GLU 131 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1cuw h GLU 131 CO 0.00 0.99 -0.08 -0.25 -0.73 0.00 0.00 179.01 178.95 1cuw n ASP 132 N -4.10 1.15 -4.78 1.04 8.00 -0.79 -4.93 116.55 112.14 1cuw n ASP 132 Ca -0.00 -1.21 -0.36 0.00 0.71 0.00 0.00 54.79 53.93 1cuw n ASP 132 Cb 0.46 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1cuw n ASP 132 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1cuw s LEU 133 N -2.18 3.99 0.15 0.64 0.20 -0.54 -4.97 118.68 115.97 1cuw s LEU 133 Ca 0.34 2.07 -0.31 0.00 0.69 0.00 0.00 54.13 56.92 1cuw s LEU 133 Cb 0.21 -4.35 -0.11 0.00 -0.43 0.00 0.00 46.19 41.51 1cuw s LEU 133 CO 0.40 -0.73 1.76 -0.62 -0.29 0.00 0.00 176.35 176.87 1cuw s ASP 134 N -1.67 6.44 0.44 3.68 2.15 -1.26 -4.84 116.67 121.60 1cuw s ASP 134 Ca 0.63 2.76 0.20 0.00 0.43 0.00 0.00 52.55 56.57 1cuw s ASP 134 Cb -0.22 -2.58 1.16 0.00 -0.30 0.00 0.00 42.92 40.99 1cuw s ASP 134 CO 0.26 -0.97 1.87 0.77 -0.17 0.00 0.00 175.17 176.93 1cuw h SER 135 N 7.88 0.32 -0.03 -0.34 4.64 -1.95 -1.02 113.55 123.05 1cuw h SER 135 Ca -0.45 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 1cuw h SER 135 Cb 1.21 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1cuw h SER 135 CO 0.95 0.13 -0.19 0.00 -0.87 0.00 0.00 176.83 176.84 1cuw h ALA 136 N 1.61 1.25 0.22 5.18 0.00 -2.01 -2.45 119.26 123.06 1cuw h ALA 136 Ca 0.45 -0.29 -0.34 0.00 0.00 0.00 0.00 54.91 54.73 1cuw h ALA 136 Cb 1.24 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.94 1cuw h ALA 136 CO -0.14 0.49 -1.55 0.82 0.00 0.00 0.00 179.25 178.87 1cuw h ILE 137 N 0.36 1.19 -0.40 0.00 2.04 -1.60 -3.32 117.51 115.79 1cuw h ILE 137 Ca 0.06 -2.68 0.11 0.00 1.00 0.00 0.00 64.86 63.35 1cuw h ILE 137 Cb 0.55 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1cuw h ILE 137 CO 0.04 0.83 0.28 -0.09 0.00 0.00 0.00 178.15 179.21 1cuw h ARG 138 N 0.13 0.03 0.00 2.37 2.43 -1.15 0.78 114.38 118.97 1cuw h ARG 138 Ca -0.27 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 1cuw h ARG 138 Cb 2.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.67 1cuw h ARG 138 CO 0.24 0.02 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.06 1cuw h ASP 139 N 0.03 0.00 0.92 -3.80 3.32 -1.54 -2.91 116.42 112.44 1cuw h ASP 139 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1cuw h ASP 139 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1cuw h ASP 139 CO -0.01 0.22 0.00 0.11 -1.72 0.00 0.00 179.24 177.85 1cuw h LYS 140 N 0.00 0.00 -6.61 3.56 1.79 -1.00 -3.42 116.57 110.89 1cuw h LYS 140 Ca -0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 1cuw h LYS 140 Cb 0.58 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 1cuw h LYS 140 CO 0.03 0.00 1.00 0.42 -1.08 0.00 0.00 179.45 179.81 1cuw s ILE 141 N -3.59 4.04 0.31 1.86 1.01 -1.10 -1.49 121.20 122.24 1cuw s ILE 141 Ca 0.02 1.03 0.07 0.00 0.00 0.00 0.00 60.65 61.76 1cuw s ILE 141 Cb 0.09 -4.50 0.05 0.00 0.01 0.00 0.00 42.46 38.11 1cuw s ILE 141 CO 0.50 -1.02 1.73 0.00 0.00 0.00 0.00 174.94 176.15 1cuw h ALA 142 N 9.89 1.16 -2.01 9.38 0.00 -0.66 -3.47 119.26 133.55 1cuw h ALA 142 Ca -0.25 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.37 1cuw h ALA 142 Cb 1.08 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 1cuw h ALA 142 CO 1.13 0.56 0.49 0.20 0.00 0.00 0.00 179.25 181.63 1cuw s GLY 143 N -4.19 -0.41 -0.01 0.00 0.00 -1.26 -4.79 107.32 96.67 1cuw s GLY 143 Ca -0.05 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.07 1cuw s GLY 143 CO 0.77 0.62 -0.02 -1.59 0.00 0.00 0.00 173.10 172.88 1cuw s THR 144 N -2.29 0.21 -0.07 0.90 2.01 -0.12 -1.97 115.64 114.31 1cuw s THR 144 Ca 0.02 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.99 1cuw s THR 144 Cb -0.01 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 1cuw s THR 144 CO -0.04 0.08 -0.20 0.68 -0.69 0.00 0.00 174.62 174.45 1cuw s VAL 145 N 0.22 1.71 -0.05 3.82 -7.23 -0.67 -1.70 120.40 116.49 1cuw s VAL 145 Ca -0.02 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 1cuw s VAL 145 Cb -0.04 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.41 1cuw s VAL 145 CO -0.01 0.48 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.33 1cuw s LEU 146 N 0.21 1.91 -0.16 1.32 1.43 -0.23 -2.20 118.68 120.97 1cuw s LEU 146 Ca -0.11 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1cuw s LEU 146 Cb -0.15 -1.05 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 1cuw s LEU 146 CO 0.05 0.15 -0.14 -0.36 0.23 0.00 0.00 176.35 176.27 1cuw s PHE 147 N 0.14 2.79 -1.29 0.29 0.08 -0.57 -0.27 117.98 119.15 1cuw s PHE 147 Ca -0.07 -0.99 -0.02 0.00 0.12 0.00 0.00 56.93 55.97 1cuw s PHE 147 Cb -0.13 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1cuw s PHE 147 CO 0.03 -0.45 0.89 0.41 -0.10 0.00 0.00 175.22 176.00 1cuw n GLY 148 N 4.04 -0.36 3.59 4.36 0.00 0.18 -1.71 105.19 115.28 1cuw n GLY 148 Ca -0.19 0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 1cuw n GLY 148 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1cuw n TYR 149 N -4.32 2.02 0.34 1.61 9.36 -1.26 -3.57 117.16 121.33 1cuw n TYR 149 Ca -0.24 -0.04 0.15 0.00 3.32 0.00 0.00 57.90 61.09 1cuw n TYR 149 Cb 0.65 -2.68 0.54 0.00 -0.63 0.00 0.00 39.34 37.23 1cuw n TYR 149 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1cuw h THR 150 N 6.62 0.00 -0.34 2.97 1.35 -1.79 -2.99 112.91 118.73 1cuw h THR 150 Ca -0.40 -0.47 -0.12 0.00 -0.55 0.00 0.00 66.41 64.87 1cuw h THR 150 Cb 1.27 1.38 -0.07 0.00 -1.73 0.00 0.00 68.15 69.00 1cuw h THR 150 CO 0.97 0.00 -0.01 0.29 -0.25 0.00 0.00 175.52 176.52 1cuw n LYS 151 N -2.74 2.27 0.19 4.72 4.76 -1.26 -4.78 118.16 121.33 1cuw n LYS 151 Ca 0.02 -3.03 -0.14 0.00 -2.87 0.00 0.00 58.31 52.29 1cuw n LYS 151 Cb 0.32 -1.84 -0.07 0.00 -1.84 0.00 0.00 35.03 31.60 1cuw n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1cuw h ASN 152 N 1.29 -0.61 0.55 4.39 -0.00 -1.76 0.40 115.58 119.84 1cuw h ASN 152 Ca 0.15 0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.47 1cuw h ASN 152 Cb 1.62 0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 40.13 1cuw h ASN 152 CO 0.35 -0.36 -0.34 0.25 -0.00 0.00 0.00 177.43 177.33 1cuw h LEU 153 N -0.54 -0.87 -0.59 0.34 5.85 -1.83 0.41 115.31 118.07 1cuw h LEU 153 Ca -0.02 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1cuw h LEU 153 Cb 0.48 0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 1cuw h LEU 153 CO -0.01 -0.52 -0.19 1.56 -0.34 0.00 0.00 178.44 178.93 1cuw h GLN 154 N -0.84 -0.04 -0.49 1.25 7.50 -1.89 0.17 115.11 120.77 1cuw h GLN 154 Ca -0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.08 1cuw h GLN 154 Cb 0.67 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.21 1cuw h GLN 154 CO 0.07 -0.03 0.00 0.09 -1.50 0.00 0.00 178.83 177.46 1cuw n ASN 155 N -5.43 1.84 -2.98 1.46 3.02 0.14 -4.92 115.26 108.39 1cuw n ASN 155 Ca 0.06 -2.12 -0.21 0.00 -0.03 0.00 0.00 54.58 52.28 1cuw n ASN 155 Cb 0.33 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.19 1cuw n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cuw n ARG 156 N 0.23 -3.60 -1.04 3.52 5.12 0.59 -1.90 116.66 119.57 1cuw n ARG 156 Ca 0.09 0.71 -0.01 0.00 -1.93 0.00 0.00 57.85 56.70 1cuw n ARG 156 Cb 0.35 -5.45 -0.01 0.00 -1.16 0.00 0.00 32.46 26.19 1cuw n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cuw n GLY 157 N -1.23 0.48 3.61 -0.13 0.00 0.13 -5.00 105.19 103.05 1cuw n GLY 157 Ca -0.10 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1cuw n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cuw s ARG 158 N -1.02 2.05 -0.18 1.61 1.81 -0.80 -4.87 118.95 117.56 1cuw s ARG 158 Ca 0.00 -2.28 -0.01 0.00 -1.72 0.00 0.00 55.73 51.72 1cuw s ARG 158 Cb 0.00 -0.91 0.00 0.00 -0.45 0.00 0.00 34.95 33.59 1cuw s ARG 158 CO 0.00 -0.47 -0.14 0.42 -0.68 0.00 0.00 175.30 174.44 1cuw s ILE 159 N -3.08 2.70 0.13 1.52 1.01 -1.26 -4.82 121.20 117.39 1cuw s ILE 159 Ca 0.16 -0.74 -0.35 0.00 0.00 0.00 0.00 60.65 59.72 1cuw s ILE 159 Cb 0.02 -2.17 -0.15 0.00 0.01 0.00 0.00 42.46 40.16 1cuw s ILE 159 CO 0.10 0.50 1.40 -2.65 0.00 0.00 0.00 174.94 174.29 1cuw n PRO 160 N 4.39 1.53 -1.04 2.79 -0.02 -1.26 -1.55 135.00 139.84 1cuw n PRO 160 Ca -0.19 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1cuw n PRO 160 Cb 0.51 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1cuw n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cuw n ASN 161 N 2.73 -4.36 -4.32 2.55 3.02 -1.26 -4.25 115.26 109.37 1cuw n ASN 161 Ca 0.17 0.04 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 1cuw n ASN 161 Cb 0.24 -1.99 -0.16 0.00 -0.61 0.00 0.00 39.78 37.26 1cuw n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1cuw s TYR 162 N -1.66 2.33 0.59 3.10 5.04 -0.59 -5.03 117.35 121.13 1cuw s TYR 162 Ca 0.00 -0.43 -0.19 0.00 -2.44 0.00 0.00 57.07 54.01 1cuw s TYR 162 Cb 0.00 -1.49 -0.04 0.00 0.35 0.00 0.00 41.96 40.79 1cuw s TYR 162 CO 0.00 -0.02 1.20 -1.25 -1.34 0.00 0.00 175.55 174.14 1cuw s PRO 163 N -0.69 3.00 0.04 4.97 0.04 -1.26 -4.61 135.00 136.49 1cuw s PRO 163 Ca 0.10 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 1cuw s PRO 163 Cb -0.10 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 1cuw s PRO 163 CO -0.01 -1.17 1.50 0.00 0.04 0.00 0.00 177.00 177.36 1cuw h ALA 164 N 0.88 0.04 0.00 8.56 0.00 -1.96 -3.07 119.26 123.72 1cuw h ALA 164 Ca -0.50 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1cuw h ALA 164 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cuw h ALA 164 CO 0.55 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1cuw n ASP 165 N -4.93 0.15 0.00 0.00 5.75 -1.26 -1.69 116.55 114.57 1cuw n ASP 165 Ca -0.07 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1cuw n ASP 165 Cb 0.15 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1cuw n ASP 165 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1cuw n ARG 166 N -0.13 2.24 -4.22 0.11 1.74 -1.16 -5.05 116.66 110.19 1cuw n ARG 166 Ca 0.00 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 1cuw n ARG 166 Cb 0.04 -0.34 -0.08 0.00 -1.02 0.00 0.00 32.46 31.05 1cuw n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cuw s THR 167 N -0.34 4.38 -0.24 0.55 2.01 -0.68 -0.95 115.64 120.37 1cuw s THR 167 Ca 0.00 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1cuw s THR 167 Cb 0.00 -2.96 0.12 0.00 0.01 0.00 0.00 72.50 69.67 1cuw s THR 167 CO 0.00 0.38 0.31 -0.75 -0.69 0.00 0.00 174.62 173.88 1cuw s LYS 168 N -1.57 0.30 -0.08 4.92 2.20 -0.69 -4.97 119.74 119.84 1cuw s LYS 168 Ca 0.20 0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 56.02 1cuw s LYS 168 Cb -0.12 -0.75 -0.04 0.00 -1.51 0.00 0.00 37.83 35.42 1cuw s LYS 168 CO 0.11 -0.75 0.16 0.08 -0.36 0.00 0.00 175.35 174.59 1cuw s VAL 169 N 2.44 5.48 -0.25 4.02 1.01 -1.26 -1.07 120.40 130.77 1cuw s VAL 169 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1cuw s VAL 169 Cb -0.15 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1cuw s VAL 169 CO -0.19 0.52 -0.11 -0.36 0.00 0.00 0.00 175.10 174.96 1cuw s PHE 170 N -1.13 3.15 -0.33 5.22 0.40 0.63 -4.95 117.98 120.97 1cuw s PHE 170 Ca 0.19 -2.06 0.00 0.00 -0.60 0.00 0.00 56.93 54.46 1cuw s PHE 170 Cb -0.12 -1.96 0.11 0.00 0.51 0.00 0.00 43.02 41.55 1cuw s PHE 170 CO 0.09 -0.84 0.12 0.00 0.70 0.00 0.00 175.22 175.29 1cuw n ASN 172 N 4.59 -0.74 -4.76 0.00 3.02 -1.26 -4.94 115.26 111.17 1cuw n ASN 172 Ca 0.00 0.47 -0.40 0.00 -0.03 0.00 0.00 54.58 54.62 1cuw n ASN 172 Cb 0.41 -1.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.22 1cuw n ASN 172 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1cuw s THR 173 N -2.24 3.21 0.00 3.41 2.01 -1.26 -2.90 115.64 117.87 1cuw s THR 173 Ca 0.65 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.81 1cuw s THR 173 Cb -0.27 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1cuw s THR 173 CO 0.60 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1cuw n GLY 174 N 0.93 2.28 3.55 4.40 0.00 -1.26 -4.82 105.19 110.27 1cuw n GLY 174 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1cuw n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cuw s ASP 175 N -2.01 6.07 0.58 1.61 -1.08 -1.14 -4.80 116.67 115.89 1cuw s ASP 175 Ca 0.00 -0.47 0.38 0.00 -0.52 0.00 0.00 52.55 51.94 1cuw s ASP 175 Cb 0.00 -2.56 1.81 0.00 -1.46 0.00 0.00 42.92 40.72 1cuw s ASP 175 CO 0.00 -1.89 2.13 -0.07 0.52 0.00 0.00 175.17 175.86 1cuw h LEU 176 N 13.52 0.00 -1.74 -1.34 3.38 -1.91 -2.57 115.31 124.66 1cuw h LEU 176 Ca -0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1cuw h LEU 176 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1cuw h LEU 176 CO 1.29 0.00 -0.15 -0.37 0.09 0.00 0.00 178.44 179.30 1cuw h VAL 177 N 0.00 0.60 0.00 1.22 -1.51 -1.71 0.12 116.25 114.97 1cuw h VAL 177 Ca 0.00 -0.67 -0.03 0.00 -1.23 0.00 0.00 66.70 64.77 1cuw h VAL 177 Cb 0.26 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1cuw h VAL 177 CO 0.00 0.15 -0.15 0.00 -1.23 0.00 0.00 177.57 176.34 1cuw h THR 179 N 0.00 0.43 0.00 0.00 2.02 -1.07 -3.14 112.91 111.15 1cuw h THR 179 Ca -0.00 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1cuw h THR 179 Cb 1.10 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1cuw h THR 179 CO 0.02 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.77 1cuw n GLY 180 N 1.16 1.57 3.73 2.16 0.00 -0.88 -4.73 105.19 108.19 1cuw n GLY 180 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1cuw n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cuw s SER 181 N -1.89 4.05 -0.28 1.61 1.04 -1.06 -5.03 113.70 112.14 1cuw s SER 181 Ca 0.00 -1.59 0.09 0.00 0.48 0.00 0.00 55.95 54.93 1cuw s SER 181 Cb 0.00 0.31 0.49 0.00 0.10 0.00 0.00 66.02 66.92 1cuw s SER 181 CO 0.00 -0.76 1.41 0.18 0.98 0.00 0.00 173.24 175.05 1cuw n LEU 182 N -1.19 3.90 -4.66 2.42 4.77 -1.26 -3.83 117.00 117.16 1cuw n LEU 182 Ca -0.16 -3.86 -0.41 0.00 -0.03 0.00 0.00 56.01 51.55 1cuw n LEU 182 Cb 0.67 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1cuw n LEU 182 CO 0.41 1.34 0.50 -0.63 -1.33 0.00 0.00 177.39 177.68 1cuw s ILE 183 N -3.32 4.94 -0.64 -0.08 1.01 -1.26 -5.01 121.20 116.83 1cuw s ILE 183 Ca 0.44 1.41 -0.15 0.00 0.00 0.00 0.00 60.65 62.34 1cuw s ILE 183 Cb 0.40 -4.04 0.16 0.00 0.01 0.00 0.00 42.46 38.99 1cuw s ILE 183 CO -0.02 0.05 0.59 -0.63 0.00 0.00 0.00 174.94 174.93 1cuw s ILE 184 N 2.18 5.33 0.66 2.92 1.01 -1.26 -4.08 121.20 127.95 1cuw s ILE 184 Ca 0.33 -1.87 0.05 0.00 0.00 0.00 0.00 60.65 59.16 1cuw s ILE 184 Cb -0.16 -4.37 0.11 0.00 0.01 0.00 0.00 42.46 38.05 1cuw s ILE 184 CO 0.10 -0.93 0.90 -0.76 0.00 0.00 0.00 174.94 174.26 1cuw s LEU 185 N 1.06 3.01 0.25 2.97 1.43 -1.26 -5.02 118.68 121.11 1cuw s LEU 185 Ca 0.09 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1cuw s LEU 185 Cb -0.23 -1.67 0.39 0.00 0.03 0.00 0.00 46.19 44.71 1cuw s LEU 185 CO -0.01 -1.64 1.82 0.00 0.23 0.00 0.00 176.35 176.75 1cuw h ALA 186 N -0.19 1.21 -0.24 4.21 0.00 -1.97 -2.77 119.26 119.51 1cuw h ALA 186 Ca -0.32 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1cuw h ALA 186 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1cuw h ALA 186 CO 0.39 0.16 0.31 -1.35 0.00 0.00 0.00 179.25 178.77 1cuw h PRO 187 N 0.87 0.00 -0.12 0.00 0.11 -1.87 -2.09 132.00 128.88 1cuw h PRO 187 Ca 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 1cuw h PRO 187 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1cuw h PRO 187 CO -0.23 0.00 0.04 1.25 -0.21 0.00 0.00 178.00 178.85 1cuw h HIS 188 N 0.00 0.16 -0.43 0.65 2.76 -1.85 -1.66 115.15 114.79 1cuw h HIS 188 Ca 0.12 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1cuw h HIS 188 Cb 0.73 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1cuw h HIS 188 CO 0.00 0.14 0.00 1.19 -1.30 0.00 0.00 177.93 177.96 1cuw n PHE 189 N -4.47 0.71 -2.67 5.26 3.72 -0.79 -4.55 117.46 114.67 1cuw n PHE 189 Ca -0.01 -0.32 -0.34 0.00 -0.05 0.00 0.00 57.45 56.73 1cuw n PHE 189 Cb 0.12 -0.06 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1cuw n PHE 189 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cuw n ALA 190 N 0.74 5.46 0.07 4.37 0.00 -0.62 -4.67 120.51 125.86 1cuw n ALA 190 Ca 0.15 -4.57 0.04 0.00 0.00 0.00 0.00 53.44 49.06 1cuw n ALA 190 Cb 0.45 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.56 1cuw n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cuw n TYR 191 N -0.23 0.19 -0.09 0.00 4.01 -1.26 -4.75 117.16 115.03 1cuw n TYR 191 Ca 0.40 -0.29 -0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1cuw n TYR 191 Cb 0.35 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1cuw n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cuw h GLY 192 N 1.50 0.12 0.46 2.72 0.00 -1.98 -1.66 103.07 104.23 1cuw h GLY 192 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.59 1cuw h GLY 192 CO 0.00 -0.17 0.00 -2.55 0.00 0.00 0.00 176.54 173.82 1cuw h PRO 193 N -0.09 0.10 -0.61 4.80 0.11 -1.99 -1.87 132.00 132.45 1cuw h PRO 193 Ca 0.17 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.31 1cuw h PRO 193 Cb 0.36 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 1cuw h PRO 193 CO -0.40 0.07 0.36 -0.44 -0.21 0.00 0.00 178.00 177.37 1cuw h ASP 194 N 0.10 0.57 -0.03 -2.05 3.32 -1.77 -2.73 116.42 113.84 1cuw h ASP 194 Ca 0.17 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1cuw h ASP 194 Cb 0.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1cuw h ASP 194 CO -0.28 0.40 -0.22 0.00 -1.72 0.00 0.00 179.24 177.42 1cuw h ALA 195 N 1.28 1.21 0.00 3.45 0.00 -0.90 -0.92 119.26 123.37 1cuw h ALA 195 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cuw h ALA 195 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1cuw h ALA 195 CO -0.12 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1cuw h ARG 196 N 0.37 0.00 0.00 0.00 3.08 -1.06 -3.35 114.38 113.43 1cuw h ARG 196 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1cuw h ARG 196 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1cuw h ARG 196 CO 0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1cuw n GLY 197 N 0.81 0.07 0.40 0.04 0.00 -1.07 -4.90 105.19 100.54 1cuw n GLY 197 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.25 1cuw n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cuw h PRO 198 N 0.00 0.42 0.26 1.61 0.13 -1.75 -2.52 132.00 130.16 1cuw h PRO 198 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1cuw h PRO 198 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1cuw h PRO 198 CO 0.00 0.28 -0.13 0.00 -0.23 0.00 0.00 178.00 177.93 1cuw h ALA 199 N 1.61 -0.99 -0.30 -0.56 0.00 -1.43 -2.29 119.26 115.31 1cuw h ALA 199 Ca 0.50 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1cuw h ALA 199 Cb 1.21 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1cuw h ALA 199 CO -0.21 -0.97 0.20 -1.00 0.00 0.00 0.00 179.25 177.27 1cuw h PRO 200 N -0.38 0.20 -0.61 0.00 0.13 -1.74 -2.39 132.00 127.21 1cuw h PRO 200 Ca -0.04 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 1cuw h PRO 200 Cb 0.27 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.33 1cuw h PRO 200 CO 0.06 0.13 0.13 1.49 -0.23 0.00 0.00 178.00 179.58 1cuw h GLU 201 N 0.20 0.99 -0.56 0.86 4.81 -1.47 -0.33 114.58 119.09 1cuw h GLU 201 Ca 0.13 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 1cuw h GLU 201 Cb 0.26 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1cuw h GLU 201 CO -0.02 0.91 -0.08 0.35 -0.73 0.00 0.00 179.01 179.44 1cuw h PHE 202 N 0.90 1.15 -0.03 0.92 3.57 -0.90 -1.65 116.94 120.91 1cuw h PHE 202 Ca 0.19 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1cuw h PHE 202 Cb 0.38 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1cuw h PHE 202 CO 0.03 1.05 0.01 -0.07 -2.23 0.00 0.00 178.31 177.09 1cuw h LEU 203 N 0.93 0.04 -1.01 0.59 3.38 -1.21 -1.66 115.31 116.37 1cuw h LEU 203 Ca 0.15 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1cuw h LEU 203 Cb 0.65 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1cuw h LEU 203 CO 0.04 0.27 0.66 0.40 0.09 0.00 0.00 178.44 179.90 1cuw h ILE 204 N -0.19 1.18 -0.61 1.22 2.04 -1.03 -1.44 117.51 118.68 1cuw h ILE 204 Ca 0.01 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1cuw h ILE 204 Cb 0.25 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1cuw h ILE 204 CO 0.00 0.23 0.19 -0.08 0.00 0.00 0.00 178.15 178.49 1cuw h GLU 205 N 1.28 0.91 -0.52 2.37 4.81 -1.12 -2.84 114.58 119.48 1cuw h GLU 205 Ca 0.40 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1cuw h GLU 205 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1cuw h GLU 205 CO -0.13 0.79 -0.01 0.87 -0.73 0.00 0.00 179.01 179.80 1cuw h LYS 206 N 0.89 0.93 -0.81 1.92 1.79 -0.32 -2.87 116.57 118.09 1cuw h LYS 206 Ca 0.20 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1cuw h LYS 206 Cb 0.26 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1cuw h LYS 206 CO -0.01 0.95 0.36 0.28 -1.08 0.00 0.00 179.45 179.96 1cuw h VAL 207 N 0.80 1.26 0.00 0.50 2.07 -1.08 -2.99 116.25 116.80 1cuw h VAL 207 Ca 0.15 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 1cuw h VAL 207 Cb 0.54 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1cuw h VAL 207 CO 0.03 0.32 -0.63 0.03 0.02 0.00 0.00 177.57 177.34 1cuw h ARG 208 N 1.15 0.00 -0.04 1.57 3.08 -1.50 -2.82 114.38 115.83 1cuw h ARG 208 Ca 0.27 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.15 1cuw h ARG 208 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1cuw h ARG 208 CO -0.03 0.63 -0.73 0.00 -1.07 0.00 0.00 179.97 178.77 1cuw h ALA 209 N 1.37 0.69 0.00 0.04 0.00 -1.42 -2.55 119.26 117.39 1cuw h ALA 209 Ca -0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 1cuw h ALA 209 Cb 1.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1cuw h ALA 209 CO 0.08 0.81 -0.94 -0.39 0.00 0.00 0.00 179.25 178.82 1cuw h VAL 210 N 0.15 0.42 0.00 0.00 -1.51 -1.55 -3.42 116.25 110.34 1cuw h VAL 210 Ca -0.02 -1.71 0.00 0.00 -1.23 0.00 0.00 66.70 63.74 1cuw h VAL 210 Cb 1.29 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.45 1cuw h VAL 210 CO 0.11 0.24 -0.13 0.54 -1.23 0.00 0.00 177.57 177.10 1cuw n ARG 211 N -2.94 0.08 0.00 5.19 1.74 -1.06 -5.09 116.66 114.57 1cuw n ARG 211 Ca -0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1cuw n ARG 211 Cb 0.71 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 1cuw n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cuw n GLY 212 N 1.55 -1.51 3.95 -0.13 0.00 -0.96 -5.10 105.19 102.99 1cuw n GLY 212 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1cuw n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06