#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cwo s LYS 3 N 0.00 -1.04 0.00 1.61 -2.85 -1.25 -4.82 119.74 111.39 3cwo s LYS 3 Ca 0.00 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 55.66 3cwo s LYS 3 Cb 0.00 -1.55 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 3cwo s LYS 3 CO 0.00 -3.77 0.00 -2.13 0.10 0.00 0.00 175.35 169.55 3cwo n ARG 4 N -4.93 0.00 -4.90 1.78 0.63 -0.84 -2.96 116.66 105.43 3cwo n ARG 4 Ca 0.04 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.64 3cwo n ARG 4 Cb 0.55 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.31 3cwo n ARG 4 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3cwo s VAL 5 N 0.00 2.63 -0.36 5.15 1.01 -0.77 -1.52 120.40 126.55 3cwo s VAL 5 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 3cwo s VAL 5 Cb 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.34 3cwo s VAL 5 CO 0.00 0.54 0.15 -0.76 0.00 0.00 0.00 175.10 175.02 3cwo s LEU 6 N 0.41 4.51 -0.20 3.92 1.43 0.34 -1.05 118.68 128.05 3cwo s LEU 6 Ca -0.13 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.63 3cwo s LEU 6 Cb -0.17 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3cwo s LEU 6 CO 0.06 -0.36 0.66 -0.63 0.23 0.00 0.00 176.35 176.31 3cwo s ILE 7 N 1.45 5.00 -0.17 -0.59 -1.09 0.39 -1.68 121.20 124.50 3cwo s ILE 7 Ca -0.00 1.25 -0.06 0.00 -2.23 0.00 0.00 60.65 59.61 3cwo s ILE 7 Cb -0.20 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 3cwo s ILE 7 CO 0.04 0.09 0.01 -0.69 -1.23 0.00 0.00 174.94 173.17 3cwo s VAL 8 N 1.98 4.35 -0.25 2.92 1.01 -0.77 0.14 120.40 129.78 3cwo s VAL 8 Ca 0.30 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 3cwo s VAL 8 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3cwo s VAL 8 CO 0.10 0.47 0.03 -0.62 0.00 0.00 0.00 175.10 175.09 3cwo s ASP 9 N 0.38 4.79 -0.80 3.32 -1.08 -1.21 -4.69 116.67 117.38 3cwo s ASP 9 Ca -0.00 -0.47 -0.06 0.00 -0.52 0.00 0.00 52.55 51.49 3cwo s ASP 9 Cb -0.13 -1.83 0.20 0.00 -1.46 0.00 0.00 42.92 39.70 3cwo s ASP 9 CO 0.02 -0.09 0.69 1.51 0.52 0.00 0.00 175.17 177.82 3cwo s ASP 10 N 1.51 6.05 -0.08 -0.34 1.47 -1.26 -2.42 116.67 121.60 3cwo s ASP 10 Ca 0.05 -3.13 -0.03 0.00 1.18 0.00 0.00 52.55 50.61 3cwo s ASP 10 Cb -0.16 -2.00 0.04 0.00 -0.34 0.00 0.00 42.92 40.47 3cwo s ASP 10 CO 0.00 -0.36 0.06 0.00 0.68 0.00 0.00 175.17 175.56 3cwo s ALA 11 N -0.49 0.33 0.00 2.11 0.00 -0.17 -4.93 121.76 118.61 3cwo s ALA 11 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3cwo s ALA 11 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3cwo s ALA 11 CO -0.08 -0.66 0.00 -2.37 0.00 0.00 0.00 175.76 172.65 3cwo n THR 12 N 5.28 0.00 -2.00 0.00 5.66 -1.24 -4.39 114.28 117.60 3cwo n THR 12 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3cwo n THR 12 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 3cwo n THR 12 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3cwo n ASN 13 N -1.38 0.00 -3.51 1.09 5.03 -1.26 -4.43 115.26 110.80 3cwo n ASN 13 Ca 0.00 -1.00 -0.13 0.00 0.87 0.00 0.00 54.58 54.33 3cwo n ASN 13 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 3cwo n ASN 13 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3cwo n GLY 14 N 0.00 2.61 5.00 7.41 0.00 -1.26 -4.88 105.19 114.07 3cwo n GLY 14 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3cwo n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cwo n ARG 15 N -1.33 0.00 -0.15 1.61 5.12 -1.26 -4.51 116.66 116.15 3cwo n ARG 15 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3cwo n ARG 15 Cb 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 3cwo n ARG 15 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3cwo n GLU 16 N 0.00 0.53 0.00 5.56 1.02 -1.26 -3.95 120.64 122.54 3cwo n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3cwo n GLU 16 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3cwo n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cwo n ALA 17 N 1.28 2.05 0.29 0.62 0.00 -1.26 -4.14 120.51 119.35 3cwo n ALA 17 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.55 3cwo n ALA 17 Cb 0.27 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.45 3cwo n ALA 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cwo h VAL 18 N 0.00 0.00 0.03 0.00 2.07 -1.92 1.36 116.25 117.79 3cwo h VAL 18 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3cwo h VAL 18 Cb 0.00 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3cwo h VAL 18 CO 0.00 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.77 3cwo h GLU 19 N 0.00 0.05 -0.03 1.57 5.08 -1.85 -3.36 114.58 116.04 3cwo h GLU 19 Ca 0.00 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3cwo h GLU 19 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3cwo h GLU 19 CO 0.00 1.04 -0.50 0.87 -1.00 0.00 0.00 179.01 179.43 3cwo h LYS 20 N -0.87 0.08 0.47 2.33 1.57 -0.22 -3.17 116.57 116.77 3cwo h LYS 20 Ca -0.12 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3cwo h LYS 20 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3cwo h LYS 20 CO -0.03 0.56 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.27 3cwo h TYR 21 N 0.07 -0.59 -0.51 -1.35 3.20 0.13 0.24 116.97 118.16 3cwo h TYR 21 Ca -0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 3cwo h TYR 21 Cb 0.90 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 3cwo h TYR 21 CO 0.01 -0.31 -0.06 -0.22 -1.64 0.00 0.00 178.16 175.94 3cwo h LYS 22 N -0.77 0.94 0.00 1.82 3.64 -1.71 0.20 116.57 120.69 3cwo h LYS 22 Ca -0.07 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3cwo h LYS 22 Cb 0.55 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3cwo h LYS 22 CO 0.11 0.99 0.00 -0.85 -2.27 0.00 0.00 179.45 177.42 3cwo n GLU 23 N -4.25 0.08 0.00 1.90 0.28 -1.19 -3.47 120.64 113.99 3cwo n GLU 23 Ca 0.01 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 3cwo n GLU 23 Cb 0.36 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.60 3cwo n GLU 23 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3cwo n LEU 24 N -1.78 0.59 -3.58 -1.84 4.77 0.07 -5.06 117.00 110.17 3cwo n LEU 24 Ca 0.04 -0.71 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 3cwo n LEU 24 Cb 0.25 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3cwo n LEU 24 CO 0.20 0.15 -0.08 1.17 -1.33 0.00 0.00 177.39 177.50 3cwo n LYS 25 N -0.24 -0.68 -2.91 3.23 4.81 0.68 -4.90 118.16 118.15 3cwo n LYS 25 Ca 0.00 -0.09 -0.22 0.00 -0.87 0.00 0.00 58.31 57.13 3cwo n LYS 25 Cb 0.03 -0.57 0.02 0.00 0.02 0.00 0.00 35.03 34.53 3cwo n LYS 25 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3cwo s PRO 26 N -5.04 2.91 -0.09 1.64 0.04 -1.26 -4.95 135.00 128.26 3cwo s PRO 26 Ca 0.13 -0.63 -0.10 0.00 0.04 0.00 0.00 61.00 60.44 3cwo s PRO 26 Cb -0.07 -2.56 -0.28 0.00 0.04 0.00 0.00 34.50 31.63 3cwo s PRO 26 CO 0.38 -0.38 0.51 -0.44 0.04 0.00 0.00 177.00 177.12 3cwo h ASP 27 N 0.34 0.49 -4.10 6.66 5.19 -1.62 -3.43 116.42 119.95 3cwo h ASP 27 Ca -0.45 -0.93 -0.46 0.00 -0.62 0.00 0.00 57.03 54.58 3cwo h ASP 27 Cb 1.27 -0.16 0.12 0.00 0.18 0.00 0.00 39.33 40.74 3cwo h ASP 27 CO 0.55 1.79 0.37 -0.63 -3.12 0.00 0.00 179.24 178.21 3cwo s ILE 28 N -2.55 2.04 0.36 0.35 -1.09 -0.85 -4.11 121.20 115.36 3cwo s ILE 28 Ca -0.20 -0.07 0.08 0.00 -2.23 0.00 0.00 60.65 58.23 3cwo s ILE 28 Cb 0.06 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 3cwo s ILE 28 CO 0.80 0.00 0.15 0.68 -1.23 0.00 0.00 174.94 175.34 3cwo s VAL 29 N -3.64 2.78 -0.09 2.92 -7.23 -0.81 -4.61 120.40 109.72 3cwo s VAL 29 Ca 0.67 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 3cwo s VAL 29 Cb -0.08 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 3cwo s VAL 29 CO 0.50 -0.13 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.25 3cwo s THR 30 N -2.48 4.14 -0.19 5.32 2.01 0.46 -0.14 115.64 124.76 3cwo s THR 30 Ca 0.39 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 3cwo s THR 30 Cb -0.01 -2.74 0.06 0.00 0.01 0.00 0.00 72.50 69.82 3cwo s THR 30 CO 0.22 0.59 0.01 -0.32 -0.69 0.00 0.00 174.62 174.44 3cwo s MET 31 N -0.73 0.89 -0.08 4.92 1.75 -0.72 -3.76 119.30 121.55 3cwo s MET 31 Ca 0.11 -0.48 -0.30 0.00 -1.25 0.00 0.00 55.69 53.78 3cwo s MET 31 Cb -0.11 -2.08 -0.02 0.00 2.84 0.00 0.00 34.83 35.45 3cwo s MET 31 CO 0.02 -0.58 1.13 0.34 -0.65 0.00 0.00 175.02 175.28 3cwo s ASP 32 N 1.77 7.11 0.00 1.11 2.15 -0.98 -2.26 116.67 125.57 3cwo s ASP 32 Ca -0.01 1.70 0.05 0.00 0.43 0.00 0.00 52.55 54.72 3cwo s ASP 32 Cb -0.17 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3cwo s ASP 32 CO -0.07 -0.55 0.34 2.30 -0.17 0.00 0.00 175.17 177.02 3cwo n ILE 33 N 4.66 0.00 -1.50 4.11 -6.64 -1.26 -4.73 119.36 114.00 3cwo n ILE 33 Ca 0.10 -0.42 -0.40 0.00 -1.77 0.00 0.00 62.75 60.27 3cwo n ILE 33 Cb 0.47 1.03 0.02 0.00 -1.44 0.00 0.00 39.64 39.72 3cwo n ILE 33 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 3cwo n THR 34 N -0.72 2.16 -1.79 7.28 5.66 -1.26 -4.65 114.28 120.96 3cwo n THR 34 Ca 0.02 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 3cwo n THR 34 Cb 0.09 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 3cwo n THR 34 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 3cwo n MET 35 N 0.21 -3.26 -1.07 1.09 0.00 -1.26 -4.64 117.12 108.19 3cwo n MET 35 Ca 0.11 2.34 -0.42 0.00 -0.00 0.00 0.00 57.70 59.73 3cwo n MET 35 Cb 0.43 -2.77 -0.08 0.00 0.00 0.00 0.00 33.22 30.80 3cwo n MET 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3cwo n PRO 36 N 0.79 1.08 0.00 2.12 -0.04 -1.26 -4.13 135.00 133.55 3cwo n PRO 36 Ca 0.00 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 3cwo n PRO 36 Cb 0.00 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 3cwo n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3cwo n GLU 37 N 7.40 0.00 -3.83 0.54 1.02 -1.26 -5.11 120.64 119.39 3cwo n GLU 37 Ca 0.48 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.26 3cwo n GLU 37 Cb 0.42 -0.17 -0.07 0.00 -0.02 0.00 0.00 31.44 31.59 3cwo n GLU 37 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3cwo s MET 38 N -1.71 3.82 0.00 3.49 1.00 -1.26 -4.96 119.30 119.68 3cwo s MET 38 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 55.69 55.49 3cwo s MET 38 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 34.83 31.54 3cwo s MET 38 CO 0.00 0.51 0.36 0.27 0.00 0.00 0.00 175.02 176.17 3cwo n ASN 39 N 2.83 0.00 0.10 3.03 0.23 -1.26 -4.57 115.26 115.61 3cwo n ASN 39 Ca -0.18 -1.14 -0.04 0.00 -0.53 0.00 0.00 54.58 52.69 3cwo n ASN 39 Cb 0.53 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 3cwo n ASN 39 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3cwo h GLY 40 N 5.21 -0.51 1.29 4.83 0.00 -1.88 -2.03 103.07 109.98 3cwo h GLY 40 Ca 0.00 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.60 3cwo h GLY 40 CO 0.36 -0.18 0.35 0.16 0.00 0.00 0.00 176.54 177.23 3cwo h ILE 41 N -0.27 1.00 0.00 2.60 3.07 -1.90 -1.79 117.51 120.21 3cwo h ILE 41 Ca -0.02 -0.17 -0.10 0.00 1.55 0.00 0.00 64.86 66.12 3cwo h ILE 41 Cb 0.22 0.46 -0.01 0.00 -0.27 0.00 0.00 36.82 37.21 3cwo h ILE 41 CO 0.03 0.09 -0.48 0.44 -1.05 0.00 0.00 178.15 177.18 3cwo h ASP 42 N 0.50 0.00 0.30 2.16 3.32 -1.91 -3.08 116.42 117.70 3cwo h ASP 42 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3cwo h ASP 42 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3cwo h ASP 42 CO -0.06 0.48 -0.14 0.00 -1.72 0.00 0.00 179.24 177.79 3cwo h ALA 43 N 1.52 -0.40 -0.50 3.45 0.00 -0.56 -3.28 119.26 119.50 3cwo h ALA 43 Ca -0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3cwo h ALA 43 Cb 0.90 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 3cwo h ALA 43 CO 0.06 -0.58 -0.16 0.82 0.00 0.00 0.00 179.25 179.40 3cwo h ILE 44 N -0.69 0.44 -0.66 0.00 2.04 -1.48 -2.21 117.51 114.96 3cwo h ILE 44 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.94 3cwo h ILE 44 Cb 0.48 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 3cwo h ILE 44 CO 0.07 0.00 0.20 0.50 0.00 0.00 0.00 178.15 178.91 3cwo h LYS 45 N -0.04 0.32 -0.99 2.37 3.64 -1.62 0.20 116.57 120.46 3cwo h LYS 45 Ca 0.24 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3cwo h LYS 45 Cb 0.40 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 3cwo h LYS 45 CO -0.53 0.21 0.65 0.93 -2.27 0.00 0.00 179.45 178.44 3cwo h GLU 46 N 0.33 1.23 0.32 1.90 5.08 -1.46 -0.99 114.58 120.99 3cwo h GLU 46 Ca 0.36 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3cwo h GLU 46 Cb 0.53 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3cwo h GLU 46 CO -0.41 0.82 -0.15 0.82 -1.00 0.00 0.00 179.01 179.09 3cwo h ILE 47 N 1.27 0.53 0.00 3.13 1.08 -0.94 0.13 117.51 122.72 3cwo h ILE 47 Ca 0.39 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3cwo h ILE 47 Cb -0.03 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3cwo h ILE 47 CO -0.11 0.12 0.22 0.23 -0.69 0.00 0.00 178.15 177.91 3cwo n MET 48 N -5.09 0.00 -0.09 2.37 2.81 0.55 0.95 117.12 118.62 3cwo n MET 48 Ca -0.08 0.28 -0.09 0.00 -1.81 0.00 0.00 57.70 55.99 3cwo n MET 48 Cb 0.26 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 3cwo n MET 48 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3cwo n LYS 49 N -1.27 0.52 0.25 0.03 4.81 -0.40 -3.44 118.16 118.66 3cwo n LYS 49 Ca 0.00 0.29 0.17 0.00 -0.87 0.00 0.00 58.31 57.90 3cwo n LYS 49 Cb 0.22 -1.50 0.85 0.00 0.02 0.00 0.00 35.03 34.62 3cwo n LYS 49 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 3cwo h ILE 50 N -1.00 0.00 -1.57 3.15 3.07 0.15 -3.28 117.51 118.03 3cwo h ILE 50 Ca -0.05 -0.10 -0.22 0.00 1.55 0.00 0.00 64.86 66.04 3cwo h ILE 50 Cb 0.93 0.90 -0.26 0.00 -0.27 0.00 0.00 36.82 38.11 3cwo h ILE 50 CO -0.03 0.00 -0.57 -0.62 -1.05 0.00 0.00 178.15 175.89 3cwo s ASP 51 N -4.75 0.06 0.64 2.16 2.15 0.27 -5.04 116.67 112.16 3cwo s ASP 51 Ca -0.02 -0.96 0.27 0.00 0.43 0.00 0.00 52.55 52.27 3cwo s ASP 51 Cb 0.10 1.17 1.48 0.00 -0.30 0.00 0.00 42.92 45.37 3cwo s ASP 51 CO 0.36 -0.26 1.82 1.55 -0.17 0.00 0.00 175.17 178.47 3cwo h PRO 52 N 7.37 0.00 0.00 4.34 0.13 -1.62 -3.35 132.00 138.87 3cwo h PRO 52 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3cwo h PRO 52 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3cwo h PRO 52 CO 0.19 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.25 3cwo n ASN 53 N -2.80 0.00 0.00 1.44 2.85 -1.26 -4.94 115.26 110.56 3cwo n ASN 53 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 3cwo n ASN 53 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 3cwo n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3cwo n ALA 54 N -3.00 0.00 -3.66 5.20 0.00 -1.26 -4.99 120.51 112.80 3cwo n ALA 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3cwo n ALA 54 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3cwo n ALA 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3cwo s LYS 55 N 4.25 2.24 -0.12 0.00 2.20 -1.26 -4.95 119.74 122.11 3cwo s LYS 55 Ca 0.00 -1.52 -0.06 0.00 -0.36 0.00 0.00 55.97 54.03 3cwo s LYS 55 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 3cwo s LYS 55 CO 0.00 -0.84 0.09 0.42 -0.36 0.00 0.00 175.35 174.66 3cwo s ILE 56 N 1.21 5.10 -0.22 5.43 1.01 -1.26 -1.93 121.20 130.54 3cwo s ILE 56 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.74 3cwo s ILE 56 Cb -0.21 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.08 3cwo s ILE 56 CO -0.02 0.59 -0.13 -0.63 0.00 0.00 0.00 174.94 174.75 3cwo s ILE 57 N -0.80 2.30 0.17 2.92 1.01 0.80 -3.68 121.20 123.92 3cwo s ILE 57 Ca 0.13 -1.20 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 3cwo s ILE 57 Cb -0.12 -2.15 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 3cwo s ILE 57 CO 0.03 0.26 0.63 -0.69 0.00 0.00 0.00 174.94 175.17 3cwo s VAL 58 N 1.23 4.71 -1.13 2.92 1.01 0.46 -1.76 120.40 127.83 3cwo s VAL 58 Ca -0.01 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 3cwo s VAL 58 Cb -0.16 -3.82 0.26 0.00 0.00 0.00 0.00 36.38 32.66 3cwo s VAL 58 CO -0.08 0.29 1.24 0.00 0.00 0.00 0.00 175.10 176.54 3cwo s SER 60 N 1.10 6.80 0.00 0.00 1.04 -1.23 -4.47 113.70 116.94 3cwo s SER 60 Ca 0.33 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.74 3cwo s SER 60 Cb -0.06 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3cwo s SER 60 CO -0.04 -0.37 0.00 0.00 0.98 0.00 0.00 173.24 173.81 3cwo n ALA 61 N 5.33 0.00 -2.92 5.32 0.00 -1.26 -4.65 120.51 122.32 3cwo n ALA 61 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 3cwo n ALA 61 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 3cwo n ALA 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3cwo s MET 62 N -1.19 0.35 0.00 0.00 1.75 -1.26 -4.87 119.30 114.08 3cwo s MET 62 Ca 0.00 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.78 3cwo s MET 62 Cb 0.00 0.08 0.00 0.00 2.84 0.00 0.00 34.83 37.75 3cwo s MET 62 CO 0.00 -0.04 0.00 0.41 -0.65 0.00 0.00 175.02 174.74 3cwo n GLY 63 N 1.50 1.02 2.28 2.11 0.00 -1.26 -4.72 105.19 106.13 3cwo n GLY 63 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3cwo n GLY 63 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cwo n GLN 64 N -0.46 3.19 0.07 1.61 -0.06 -1.26 -4.34 117.38 116.14 3cwo n GLN 64 Ca 0.00 -2.12 -0.09 0.00 -2.00 0.00 0.00 57.00 52.78 3cwo n GLN 64 Cb 0.00 -2.44 0.01 0.00 -4.06 0.00 0.00 30.24 23.76 3cwo n GLN 64 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 3cwo h GLN 65 N 4.04 0.30 -0.68 3.69 4.20 -1.98 -3.17 115.11 121.51 3cwo h GLN 65 Ca 0.57 -0.28 0.16 0.00 0.06 0.00 0.00 58.65 59.15 3cwo h GLN 65 Cb 0.71 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 28.43 3cwo h GLN 65 CO 1.14 0.96 -0.10 0.00 -0.67 0.00 0.00 178.83 180.16 3cwo n ALA 66 N -2.49 0.23 -0.02 3.87 0.00 -1.26 -0.07 120.51 120.77 3cwo n ALA 66 Ca -0.04 0.74 -0.16 0.00 0.00 0.00 0.00 53.44 53.98 3cwo n ALA 66 Cb 0.76 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 3cwo n ALA 66 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3cwo h MET 67 N 0.00 0.44 -0.55 0.00 2.86 -1.92 -3.22 114.93 112.53 3cwo h MET 67 Ca 0.36 -0.37 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 3cwo h MET 67 Cb 0.63 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.30 3cwo h MET 67 CO -0.67 1.01 0.14 0.28 1.06 0.00 0.00 176.91 178.73 3cwo h VAL 68 N -0.02 0.72 0.05 -2.22 2.07 -0.52 0.11 116.25 116.45 3cwo h VAL 68 Ca -0.03 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3cwo h VAL 68 Cb 1.10 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3cwo h VAL 68 CO 0.09 0.05 -0.25 0.40 0.02 0.00 0.00 177.57 177.89 3cwo h ILE 69 N 0.29 0.44 -0.85 4.57 2.04 -1.19 -0.47 117.51 122.33 3cwo h ILE 69 Ca 0.28 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.22 3cwo h ILE 69 Cb 0.37 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3cwo h ILE 69 CO -0.33 0.00 0.56 -0.33 0.00 0.00 0.00 178.15 178.04 3cwo h GLU 70 N -0.41 0.85 -0.83 2.37 4.39 -1.37 -1.26 114.58 118.32 3cwo h GLU 70 Ca 0.05 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3cwo h GLU 70 Cb 0.47 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3cwo h GLU 70 CO -0.19 0.56 0.40 0.00 -1.16 0.00 0.00 179.01 178.62 3cwo h ALA 71 N 1.56 1.13 -0.18 3.43 0.00 0.09 -2.77 119.26 122.52 3cwo h ALA 71 Ca 0.38 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3cwo h ALA 71 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3cwo h ALA 71 CO -0.15 0.65 -0.50 0.82 0.00 0.00 0.00 179.25 180.07 3cwo h ILE 72 N 1.18 1.32 -0.57 0.00 2.04 0.03 -1.68 117.51 119.84 3cwo h ILE 72 Ca 0.28 -1.73 0.11 0.00 1.00 0.00 0.00 64.86 64.53 3cwo h ILE 72 Cb 0.12 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3cwo h ILE 72 CO -0.04 0.53 0.39 0.11 0.00 0.00 0.00 178.15 179.14 3cwo h LYS 73 N 0.38 0.30 0.00 2.37 1.57 -1.20 -0.41 116.57 119.59 3cwo h LYS 73 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cwo h LYS 73 Cb 1.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3cwo h LYS 73 CO 0.09 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 3cwo h ALA 74 N 1.72 1.00 0.00 3.86 0.00 -1.03 -3.46 119.26 121.34 3cwo h ALA 74 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3cwo h ALA 74 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cwo h ALA 74 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3cwo n GLY 75 N 0.70 1.09 3.69 0.00 0.00 -0.16 -4.75 105.19 105.76 3cwo n GLY 75 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3cwo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwo s ALA 76 N -1.62 3.63 -0.15 4.61 0.00 -1.18 -4.90 121.76 122.13 3cwo s ALA 76 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.07 3cwo s ALA 76 Cb 0.00 -3.64 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 3cwo s ALA 76 CO 0.00 -0.99 0.24 1.63 0.00 0.00 0.00 175.76 176.64 3cwo n LYS 77 N 5.43 1.86 -4.16 0.00 5.02 -1.26 -4.64 118.16 120.40 3cwo n LYS 77 Ca 0.14 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 3cwo n LYS 77 Cb 0.42 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.26 3cwo n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cwo s ASP 78 N -2.48 1.08 -0.06 4.39 1.11 -1.24 -4.79 116.67 114.68 3cwo s ASP 78 Ca -0.01 -1.00 -0.19 0.00 0.18 0.00 0.00 52.55 51.53 3cwo s ASP 78 Cb 0.06 0.10 0.04 0.00 1.07 0.00 0.00 42.92 44.19 3cwo s ASP 78 CO 0.34 -0.47 0.44 -0.36 1.18 0.00 0.00 175.17 176.29 3cwo s PHE 79 N -3.61 -0.38 0.08 4.23 0.08 -0.47 -0.41 117.98 117.50 3cwo s PHE 79 Ca 0.11 0.71 0.08 0.00 0.12 0.00 0.00 56.93 57.95 3cwo s PHE 79 Cb 0.05 0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.66 3cwo s PHE 79 CO -0.05 -0.41 -0.17 0.96 -0.10 0.00 0.00 175.22 175.44 3cwo s ILE 80 N -0.94 2.89 0.01 0.64 -4.36 -0.84 -1.05 121.20 117.54 3cwo s ILE 80 Ca -0.10 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 3cwo s ILE 80 Cb -0.03 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 3cwo s ILE 80 CO 0.05 0.21 -0.02 0.68 0.24 0.00 0.00 174.94 176.10 3cwo s VAL 81 N -1.05 0.13 0.00 8.37 -7.23 -0.17 -3.52 120.40 116.93 3cwo s VAL 81 Ca 0.17 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3cwo s VAL 81 Cb -0.11 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.67 3cwo s VAL 81 CO 0.08 -0.11 0.00 -3.20 -0.31 0.00 0.00 175.10 171.56 3cwo n ASN 82 N 2.64 0.00 -0.11 4.85 2.85 -1.26 -0.68 115.26 123.55 3cwo n ASN 82 Ca -0.15 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.23 3cwo n ASN 82 Cb 0.58 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.60 3cwo n ASN 82 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3cwo h THR 83 N 0.00 1.10 0.00 -0.44 2.02 -1.93 -2.84 112.91 110.83 3cwo h THR 83 Ca 0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3cwo h THR 83 Cb 0.00 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3cwo h THR 83 CO 0.00 0.10 -0.09 0.00 0.37 0.00 0.00 175.52 175.90 3cwo h ALA 84 N 1.13 1.15 0.03 6.16 0.00 -1.93 0.28 119.26 126.08 3cwo h ALA 84 Ca 0.13 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3cwo h ALA 84 Cb -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3cwo h ALA 84 CO -0.03 0.11 -1.05 0.00 0.00 0.00 0.00 179.25 178.28 3cwo h ALA 85 N 1.91 0.21 -0.37 0.00 0.00 -1.72 -1.85 119.26 117.44 3cwo h ALA 85 Ca -0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 3cwo h ALA 85 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3cwo h ALA 85 CO 0.01 0.77 -0.11 0.28 0.00 0.00 0.00 179.25 180.20 3cwo h VAL 86 N 0.27 1.28 -0.69 0.00 2.07 -0.91 0.17 116.25 118.43 3cwo h VAL 86 Ca -0.12 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.21 3cwo h VAL 86 Cb 1.71 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3cwo h VAL 86 CO 0.19 0.40 0.45 -0.33 0.02 0.00 0.00 177.57 178.30 3cwo h GLU 87 N 0.54 0.89 -2.26 1.57 3.07 -1.15 -3.39 114.58 113.85 3cwo h GLU 87 Ca 0.09 -0.05 -0.53 0.00 -0.50 0.00 0.00 59.36 58.37 3cwo h GLU 87 Cb 0.63 -0.20 -0.36 0.00 -0.84 0.00 0.00 28.75 27.99 3cwo h GLU 87 CO 0.04 0.59 -0.88 1.21 -1.40 0.00 0.00 179.01 178.57 3cwo s ASN 88 N -5.81 1.52 0.46 1.42 2.47 -0.69 -5.00 114.94 109.30 3cwo s ASN 88 Ca -0.13 -2.60 0.29 0.00 0.42 0.00 0.00 52.86 50.84 3cwo s ASN 88 Cb 0.14 -0.13 1.37 0.00 -1.45 0.00 0.00 41.25 41.18 3cwo s ASN 88 CO 0.77 -0.20 1.71 -0.65 -3.72 0.00 0.00 177.10 175.01 3cwo h PRO 89 N 6.06 0.16 -0.08 0.43 0.11 -0.87 -0.72 132.00 137.09 3cwo h PRO 89 Ca 0.18 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.30 3cwo h PRO 89 Cb 0.96 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3cwo h PRO 89 CO 0.30 0.11 0.06 0.77 -0.21 0.00 0.00 178.00 179.03 3cwo h SER 90 N 0.17 0.00 -0.48 -2.05 0.02 -1.93 -2.71 113.55 106.57 3cwo h SER 90 Ca 0.69 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.78 3cwo h SER 90 Cb 2.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.75 3cwo h SER 90 CO -0.25 0.00 0.43 0.25 -1.14 0.00 0.00 176.83 176.12 3cwo h LEU 91 N 0.00 0.00 0.45 5.07 5.85 -1.45 0.11 115.31 125.34 3cwo h LEU 91 Ca 0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3cwo h LEU 91 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3cwo h LEU 91 CO -0.00 0.00 -0.22 0.40 -0.34 0.00 0.00 178.44 178.28 3cwo h ILE 92 N 0.00 0.02 -1.00 4.05 2.04 -1.70 -2.48 117.51 118.45 3cwo h ILE 92 Ca 0.23 -0.56 0.27 0.00 1.00 0.00 0.00 64.86 65.80 3cwo h ILE 92 Cb 1.09 0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 37.07 3cwo h ILE 92 CO -0.00 0.01 0.58 0.74 0.00 0.00 0.00 178.15 179.47 3cwo h THR 93 N -1.16 0.44 0.47 -0.27 2.02 -1.00 0.35 112.91 113.77 3cwo h THR 93 Ca -0.06 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3cwo h THR 93 Cb 0.48 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3cwo h THR 93 CO 0.10 0.09 -0.28 -0.61 0.37 0.00 0.00 175.52 175.19 3cwo h GLN 94 N 0.48 -0.69 0.09 6.66 -0.00 -0.79 -0.55 115.11 120.31 3cwo h GLN 94 Ca 0.68 0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 59.37 3cwo h GLN 94 Cb 1.40 0.16 0.00 0.00 0.00 0.00 0.00 27.48 29.03 3cwo h GLN 94 CO -0.53 -0.46 -0.05 0.82 0.00 0.00 0.00 178.83 178.62 3cwo h ILE 95 N -0.71 1.03 -0.23 2.39 2.04 -0.79 -2.94 117.51 118.31 3cwo h ILE 95 Ca -0.05 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.40 3cwo h ILE 95 Cb 0.58 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3cwo h ILE 95 CO 0.06 0.11 0.22 0.00 0.00 0.00 0.00 178.15 178.54 3cwo h ALA 96 N 0.54 1.94 0.02 1.87 0.00 -0.27 0.35 119.26 123.70 3cwo h ALA 96 Ca -0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3cwo h ALA 96 Cb 0.29 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.11 3cwo h ALA 96 CO 0.02 -0.33 -1.04 1.96 0.00 0.00 0.00 179.25 179.86 3cwo h GLN 97 N 0.00 0.58 0.02 0.00 4.20 -0.95 0.13 115.11 119.08 3cwo h GLN 97 Ca 0.11 -0.65 -0.00 0.00 0.06 0.00 0.00 58.65 58.17 3cwo h GLN 97 Cb 0.54 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3cwo h GLN 97 CO -0.00 1.25 -0.01 1.15 -0.67 0.00 0.00 178.83 180.56 3cwo h THR 98 N 0.31 1.45 -0.10 -0.54 2.02 -0.57 -3.38 112.91 112.11 3cwo h THR 98 Ca -0.12 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3cwo h THR 98 Cb 1.69 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 3cwo h THR 98 CO 0.19 0.38 0.00 0.49 0.37 0.00 0.00 175.52 176.96 3cwo n PHE 99 N -4.79 0.12 0.00 3.16 3.72 0.93 -5.10 117.46 115.50 3cwo n PHE 99 Ca -0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3cwo n PHE 99 Cb 0.32 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3cwo n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cwo n GLY 100 N 0.68 -1.24 0.28 1.37 0.00 0.44 -4.16 105.19 102.55 3cwo n GLY 100 Ca 0.08 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3cwo n GLY 100 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cwo h SER 101 N 0.00 0.49 -0.75 1.61 0.02 -1.77 -2.42 113.55 110.73 3cwo h SER 101 Ca 0.00 -0.08 0.15 0.00 -0.84 0.00 0.00 61.79 61.02 3cwo h SER 101 Cb 0.00 -0.13 -0.14 0.00 0.14 0.00 0.00 62.40 62.27 3cwo h SER 101 CO 0.00 0.54 -0.16 1.56 -1.14 0.00 0.00 176.83 177.63 3cwo h GLN 102 N 0.51 0.01 0.00 3.45 1.08 -1.86 -2.46 115.11 115.85 3cwo h GLN 102 Ca 0.11 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3cwo h GLN 102 Cb 0.28 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3cwo h GLN 102 CO 0.01 0.01 0.00 0.00 -0.95 0.00 0.00 178.83 177.89 3cwo n ALA 103 N -3.21 1.48 -3.47 3.87 0.00 -0.91 -4.67 120.51 113.61 3cwo n ALA 103 Ca 0.11 0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 3cwo n ALA 103 Cb 0.40 -1.22 -0.16 0.00 0.00 0.00 0.00 19.45 18.46 3cwo n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cwo s VAL 104 N -3.10 2.21 -0.15 0.00 0.11 -0.96 -1.37 120.40 117.14 3cwo s VAL 104 Ca 0.04 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.14 3cwo s VAL 104 Cb 0.07 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 3cwo s VAL 104 CO 0.23 0.55 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.75 3cwo s VAL 105 N 0.65 3.20 -0.32 2.04 1.01 -0.22 -0.03 120.40 126.73 3cwo s VAL 105 Ca -0.10 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 3cwo s VAL 105 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3cwo s VAL 105 CO 0.02 0.51 0.21 -0.69 0.00 0.00 0.00 175.10 175.14 3cwo s VAL 106 N 0.54 5.11 0.05 2.92 1.01 -0.71 -1.00 120.40 128.31 3cwo s VAL 106 Ca -0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3cwo s VAL 106 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3cwo s VAL 106 CO 0.04 0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.28 3cwo s ALA 107 N 1.70 3.28 -0.14 5.51 0.00 0.14 -1.12 121.76 131.14 3cwo s ALA 107 Ca 0.06 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.74 3cwo s ALA 107 Cb -0.17 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3cwo s ALA 107 CO 0.09 -0.30 -0.20 0.42 0.00 0.00 0.00 175.76 175.77 3cwo s ILE 108 N 0.86 1.89 -0.31 0.00 1.01 -0.94 -4.46 121.20 119.25 3cwo s ILE 108 Ca 0.54 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3cwo s ILE 108 Cb -0.26 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3cwo s ILE 108 CO 0.29 0.52 0.20 -1.81 0.00 0.00 0.00 174.94 174.14 3cwo s ASP 109 N 0.94 5.95 0.15 3.58 1.01 -1.26 -0.80 116.67 126.23 3cwo s ASP 109 Ca -0.05 -0.26 0.07 0.00 0.71 0.00 0.00 52.55 53.02 3cwo s ASP 109 Cb -0.15 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 3cwo s ASP 109 CO -0.03 -0.15 -0.16 0.00 0.21 0.00 0.00 175.17 175.03 3cwo s ALA 110 N 1.72 1.79 -0.22 5.23 0.00 -0.76 -1.24 121.76 128.27 3cwo s ALA 110 Ca 0.06 -1.41 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 3cwo s ALA 110 Cb -0.17 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.88 3cwo s ALA 110 CO 0.10 0.17 0.56 0.21 0.00 0.00 0.00 175.76 176.81 3cwo s LYS 111 N -2.77 0.63 -0.15 0.00 2.20 -0.94 -0.39 119.74 118.31 3cwo s LYS 111 Ca 0.13 0.86 -0.21 0.00 -0.36 0.00 0.00 55.97 56.39 3cwo s LYS 111 Cb -0.05 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 3cwo s LYS 111 CO 0.05 -0.10 0.62 -0.98 -0.36 0.00 0.00 175.35 174.57 3cwo s ARG 112 N 0.68 4.28 -0.17 4.03 1.70 -1.26 -1.02 118.95 127.20 3cwo s ARG 112 Ca -0.03 0.64 -0.00 0.00 -0.47 0.00 0.00 55.73 55.87 3cwo s ARG 112 Cb -0.05 -3.52 0.04 0.00 -0.57 0.00 0.00 34.95 30.85 3cwo s ARG 112 CO -0.05 -0.10 -0.05 0.08 -1.08 0.00 0.00 175.30 174.10 3cwo s VAL 113 N 1.43 1.11 -1.16 4.99 1.01 0.09 -4.76 120.40 123.12 3cwo s VAL 113 Ca 0.30 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3cwo s VAL 113 Cb -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3cwo s VAL 113 CO 0.12 0.12 1.00 0.47 0.00 0.00 0.00 175.10 176.81 3cwo n ASP 114 N 4.87 -5.04 -1.76 3.32 9.92 -1.26 -2.80 116.55 123.80 3cwo n ASP 114 Ca -0.12 -0.49 -0.14 0.00 -0.53 0.00 0.00 54.79 53.52 3cwo n ASP 114 Cb 0.48 -4.47 0.01 0.00 -0.64 0.00 0.00 41.12 36.49 3cwo n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cwo n GLY 115 N -1.67 -0.13 2.74 0.44 0.00 -1.26 -5.02 105.19 100.29 3cwo n GLY 115 Ca -0.05 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 3cwo n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cwo s GLU 116 N -4.97 -0.02 -0.03 1.61 0.41 -1.12 -5.12 118.70 109.46 3cwo s GLU 116 Ca 0.10 0.42 -0.30 0.00 -0.41 0.00 0.00 54.97 54.78 3cwo s GLU 116 Cb -0.04 -0.53 -0.07 0.00 -1.78 0.00 0.00 34.13 31.71 3cwo s GLU 116 CO 0.12 -0.36 1.82 -0.06 -0.49 0.00 0.00 175.26 176.30 3cwo s PHE 117 N 2.22 1.63 0.09 1.61 0.08 -1.26 -0.73 117.98 121.62 3cwo s PHE 117 Ca 0.04 -0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.10 3cwo s PHE 117 Cb -0.12 -4.07 -0.03 0.00 -0.57 0.00 0.00 43.02 38.22 3cwo s PHE 117 CO -0.05 -4.59 -0.19 1.41 -0.10 0.00 0.00 175.22 171.71 3cwo s MET 118 N 4.39 1.02 0.21 0.44 1.75 -0.18 -1.01 119.30 125.90 3cwo s MET 118 Ca 0.81 -1.08 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 3cwo s MET 118 Cb -0.37 -1.19 -0.08 0.00 2.84 0.00 0.00 34.83 36.03 3cwo s MET 118 CO 0.35 0.27 0.60 0.08 -0.65 0.00 0.00 175.02 175.68 3cwo s VAL 119 N -1.19 4.81 -0.01 10.11 1.01 -0.27 -2.21 120.40 132.64 3cwo s VAL 119 Ca 0.03 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.86 3cwo s VAL 119 Cb -0.10 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 3cwo s VAL 119 CO 0.03 0.09 -0.07 -0.36 0.00 0.00 0.00 175.10 174.79 3cwo s PHE 120 N -1.65 0.70 0.26 5.22 0.40 -0.38 -1.95 117.98 120.59 3cwo s PHE 120 Ca 0.44 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 3cwo s PHE 120 Cb -0.13 -0.48 -0.00 0.00 0.51 0.00 0.00 43.02 42.91 3cwo s PHE 120 CO 0.20 -0.04 0.00 0.25 0.70 0.00 0.00 175.22 176.33 3cwo n THR 121 N 3.08 0.00 -3.53 0.64 -2.24 -0.49 -4.28 114.28 107.47 3cwo n THR 121 Ca -0.15 -1.25 -0.22 0.00 -2.27 0.00 0.00 64.05 60.15 3cwo n THR 121 Cb 0.56 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3cwo n THR 121 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3cwo n TYR 122 N -0.65 -2.11 -3.49 4.78 4.01 -1.26 0.12 117.16 118.56 3cwo n TYR 122 Ca -0.11 0.74 -0.21 0.00 -0.16 0.00 0.00 57.90 58.16 3cwo n TYR 122 Cb 0.34 -4.09 0.08 0.00 -0.31 0.00 0.00 39.34 35.35 3cwo n TYR 122 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3cwo n SER 123 N -3.00 -5.48 -2.15 7.72 7.64 -1.26 -3.84 113.62 113.25 3cwo n SER 123 Ca -0.17 -0.51 -0.09 0.00 1.01 0.00 0.00 58.87 59.11 3cwo n SER 123 Cb 0.63 -4.71 0.04 0.00 -1.01 0.00 0.00 64.21 59.17 3cwo n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cwo n GLY 124 N -1.79 0.09 0.00 0.23 0.00 -0.68 -4.98 105.19 98.07 3cwo n GLY 124 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3cwo n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cwo n LYS 125 N -2.59 1.19 -2.85 1.61 5.02 0.32 -4.81 118.16 116.05 3cwo n LYS 125 Ca -0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 3cwo n LYS 125 Cb 0.57 -0.69 -0.04 0.00 -0.02 0.00 0.00 35.03 34.85 3cwo n LYS 125 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3cwo s LYS 126 N -1.38 4.13 -0.48 1.97 2.20 -0.87 -4.86 119.74 120.44 3cwo s LYS 126 Ca 0.00 0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 56.25 3cwo s LYS 126 Cb 0.00 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 3cwo s LYS 126 CO 0.00 -0.61 1.49 1.21 -0.36 0.00 0.00 175.35 177.08 3cwo s ASN 127 N 1.43 6.11 0.59 1.43 3.84 -1.26 -1.39 114.94 125.69 3cwo s ASN 127 Ca 0.36 0.61 0.37 0.00 0.21 0.00 0.00 52.86 54.41 3cwo s ASN 127 Cb -0.15 -2.54 1.78 0.00 -0.55 0.00 0.00 41.25 39.79 3cwo s ASN 127 CO 0.09 -1.66 2.14 0.71 -2.79 0.00 0.00 177.10 175.60 3cwo h THR 128 N 6.50 0.06 -1.32 -5.21 1.35 -1.77 -3.46 112.91 109.06 3cwo h THR 128 Ca -0.28 -0.33 -0.20 0.00 -0.55 0.00 0.00 66.41 65.05 3cwo h THR 128 Cb 1.11 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 3cwo h THR 128 CO 1.13 0.01 -0.25 0.61 -0.25 0.00 0.00 175.52 176.77 3cwo n GLY 129 N -0.44 0.11 3.20 5.82 0.00 -1.26 -5.02 105.19 107.60 3cwo n GLY 129 Ca -0.01 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3cwo n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cwo s ILE 130 N -2.49 2.52 0.20 -0.61 1.01 -1.26 -5.03 121.20 115.54 3cwo s ILE 130 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 3cwo s ILE 130 Cb 0.00 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.29 3cwo s ILE 130 CO 0.00 0.51 1.55 -0.76 0.00 0.00 0.00 174.94 176.23 3cwo s LEU 131 N 1.18 4.37 0.15 2.97 1.43 -1.26 -1.11 118.68 126.40 3cwo s LEU 131 Ca 0.02 2.68 -0.23 0.00 -1.03 0.00 0.00 54.13 55.57 3cwo s LEU 131 Cb -0.14 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3cwo s LEU 131 CO -0.07 -0.81 1.63 0.25 0.23 0.00 0.00 176.35 177.58 3cwo h LEU 132 N 6.13 -0.78 -0.96 1.79 5.85 -1.38 0.44 115.31 126.42 3cwo h LEU 132 Ca -0.44 0.14 0.35 0.00 0.84 0.00 0.00 57.88 58.77 3cwo h LEU 132 Cb 1.21 0.36 -0.17 0.00 0.37 0.00 0.00 40.66 42.43 3cwo h LEU 132 CO 0.87 -0.28 0.34 -1.14 -0.34 0.00 0.00 178.44 177.89 3cwo n ARG 133 N -5.38 -0.06 0.17 1.25 0.63 -1.26 -1.48 116.66 110.52 3cwo n ARG 133 Ca -0.01 1.36 -0.11 0.00 -0.92 0.00 0.00 57.85 58.16 3cwo n ARG 133 Cb 0.29 -2.34 -0.07 0.00 0.45 0.00 0.00 32.46 30.80 3cwo n ARG 133 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3cwo h ASP 134 N 0.00 -0.40 -0.77 6.15 3.32 -1.29 -3.25 116.42 120.18 3cwo h ASP 134 Ca 0.73 -0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.75 3cwo h ASP 134 Cb 1.81 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 41.39 3cwo h ASP 134 CO -0.79 0.04 0.38 -0.25 -1.72 0.00 0.00 179.24 176.89 3cwo h TRP 135 N -0.97 0.67 -0.17 4.55 -0.00 -1.06 -1.68 115.95 117.29 3cwo h TRP 135 Ca -0.05 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.92 3cwo h TRP 135 Cb 0.52 -0.18 -0.07 0.00 -0.00 0.00 0.00 29.16 29.43 3cwo h TRP 135 CO 0.03 0.20 -0.37 0.28 -0.00 0.00 0.00 178.44 178.58 3cwo h VAL 136 N 0.60 0.21 0.17 2.65 2.07 -1.35 0.46 116.25 121.06 3cwo h VAL 136 Ca 0.39 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.91 3cwo h VAL 136 Cb 0.48 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3cwo h VAL 136 CO -0.31 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 177.73 3cwo h VAL 137 N -0.42 0.71 -0.32 2.57 2.07 -1.49 -2.39 116.25 116.97 3cwo h VAL 137 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 3cwo h VAL 137 Cb 0.59 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 3cwo h VAL 137 CO -0.40 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 176.85 3cwo h GLU 138 N -0.31 -0.22 -0.87 1.57 4.57 -0.91 -1.03 114.58 117.38 3cwo h GLU 138 Ca -0.01 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3cwo h GLU 138 Cb 0.28 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.84 3cwo h GLU 138 CO -0.01 -0.15 0.51 0.28 -1.18 0.00 0.00 179.01 178.47 3cwo h VAL 139 N -0.23 0.91 0.36 0.32 2.07 0.13 0.11 116.25 119.91 3cwo h VAL 139 Ca 0.16 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3cwo h VAL 139 Cb 0.48 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3cwo h VAL 139 CO -0.45 0.15 -0.17 -0.08 0.02 0.00 0.00 177.57 177.04 3cwo h GLU 140 N 0.84 -0.46 -0.55 1.57 4.81 -0.84 -2.50 114.58 117.46 3cwo h GLU 140 Ca 0.42 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.82 3cwo h GLU 140 Cb 0.39 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3cwo h GLU 140 CO -0.25 -0.18 0.38 -0.22 -0.73 0.00 0.00 179.01 178.01 3cwo h LYS 141 N -0.71 0.11 0.00 1.92 3.64 -0.61 0.17 116.57 121.08 3cwo h LYS 141 Ca -0.05 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3cwo h LYS 141 Cb 0.49 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3cwo h LYS 141 CO 0.08 0.07 -0.32 0.00 -2.27 0.00 0.00 179.45 177.01 3cwo h ARG 142 N 0.11 0.00 0.00 1.90 2.47 -0.67 -3.47 114.38 114.72 3cwo h ARG 142 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 3cwo h ARG 142 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3cwo h ARG 142 CO -0.03 0.32 0.00 0.41 0.56 0.00 0.00 179.97 181.23 3cwo n GLY 143 N 0.24 1.80 3.67 0.04 0.00 0.60 -2.77 105.19 108.77 3cwo n GLY 143 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3cwo n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwo s ALA 144 N -2.00 0.99 -0.18 4.61 0.00 -0.97 -4.44 121.76 119.78 3cwo s ALA 144 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 3cwo s ALA 144 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3cwo s ALA 144 CO 0.00 -2.80 -0.25 0.41 0.00 0.00 0.00 175.76 173.12 3cwo n GLY 145 N -0.84 -0.34 3.08 0.00 0.00 0.96 -4.77 105.19 103.29 3cwo n GLY 145 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3cwo n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cwo s GLU 146 N -2.43 0.54 -0.16 1.61 2.02 -1.20 -4.11 118.70 114.97 3cwo s GLU 146 Ca -0.26 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 3cwo s GLU 146 Cb 0.09 0.20 -0.01 0.00 0.10 0.00 0.00 34.13 34.51 3cwo s GLU 146 CO 0.34 -0.12 -0.12 0.42 0.02 0.00 0.00 175.26 175.80 3cwo s ILE 147 N -2.66 2.96 -1.00 -1.63 1.01 -0.50 -1.74 121.20 117.64 3cwo s ILE 147 Ca -0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3cwo s ILE 147 Cb -0.01 -2.27 0.32 0.00 0.01 0.00 0.00 42.46 40.51 3cwo s ILE 147 CO -0.05 0.50 1.63 -0.11 0.00 0.00 0.00 174.94 176.91 3cwo n LEU 148 N 3.98 6.78 -4.52 2.97 -0.00 -0.28 -0.78 117.00 125.15 3cwo n LEU 148 Ca -0.19 -5.36 -0.42 0.00 -0.00 0.00 0.00 56.01 50.04 3cwo n LEU 148 Cb 0.52 -1.14 -0.06 0.00 -0.00 0.00 0.00 43.42 42.74 3cwo n LEU 148 CO 0.29 1.97 1.96 -0.11 -0.00 0.00 0.00 177.39 181.51 3cwo n LEU 149 N 0.36 2.15 -4.51 -1.96 7.94 -1.04 -2.22 117.00 117.73 3cwo n LEU 149 Ca 0.39 -0.03 -0.35 0.00 -1.11 0.00 0.00 56.01 54.91 3cwo n LEU 149 Cb 0.29 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.73 3cwo n LEU 149 CO 0.57 -1.06 -0.29 -0.89 -1.11 0.00 0.00 177.39 174.60 3cwo s THR 150 N 9.73 4.34 -0.14 1.96 2.01 0.02 -0.96 115.64 132.60 3cwo s THR 150 Ca 1.07 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 62.65 3cwo s THR 150 Cb -0.54 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 3cwo s THR 150 CO 0.37 0.41 0.79 -0.55 -0.69 0.00 0.00 174.62 174.95 3cwo s SER 151 N 0.95 6.95 0.08 3.53 0.15 -0.68 -1.83 113.70 122.84 3cwo s SER 151 Ca 0.03 1.17 -0.04 0.00 0.70 0.00 0.00 55.95 57.80 3cwo s SER 151 Cb -0.14 -2.44 -0.28 0.00 -1.71 0.00 0.00 66.02 61.45 3cwo s SER 151 CO 0.02 -0.31 1.15 0.40 1.20 0.00 0.00 173.24 175.70 3cwo h ILE 152 N 5.07 1.50 0.00 6.45 2.04 -1.07 -1.57 117.51 129.94 3cwo h ILE 152 Ca -0.33 -3.05 0.00 0.00 1.00 0.00 0.00 64.86 62.48 3cwo h ILE 152 Cb 1.15 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 3cwo h ILE 152 CO 0.81 0.89 0.00 0.47 0.00 0.00 0.00 178.15 180.32 3cwo n ASP 153 N -3.54 0.00 0.00 1.72 8.00 -1.26 -2.60 116.55 118.87 3cwo n ASP 153 Ca -0.08 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.00 3cwo n ASP 153 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 3cwo n ASP 153 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cwo n ARG 154 N -0.97 3.77 -1.66 -1.24 5.12 -1.20 -4.96 116.66 115.51 3cwo n ARG 154 Ca 0.09 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.58 3cwo n ARG 154 Cb 0.04 -0.56 -0.03 0.00 -1.16 0.00 0.00 32.46 30.75 3cwo n ARG 154 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3cwo s ASP 155 N -0.55 5.72 0.00 0.55 2.15 -0.59 -0.80 116.67 123.14 3cwo s ASP 155 Ca 0.00 2.01 0.00 0.00 0.43 0.00 0.00 52.55 54.99 3cwo s ASP 155 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3cwo s ASP 155 CO 0.00 -1.73 0.00 0.61 -0.17 0.00 0.00 175.17 173.88 3cwo n GLY 156 N 5.45 0.44 0.14 2.66 0.00 -1.16 -4.93 105.19 107.79 3cwo n GLY 156 Ca 0.27 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.48 3cwo n GLY 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cwo n THR 157 N -2.91 0.00 -3.84 2.61 -1.04 0.02 -4.93 114.28 104.19 3cwo n THR 157 Ca 0.00 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 3cwo n THR 157 Cb 0.00 0.33 -0.05 0.00 -1.82 0.00 0.00 70.33 68.80 3cwo n THR 157 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3cwo n LYS 158 N -1.02 -1.78 -0.05 -2.82 0.00 -1.26 -4.77 118.16 106.46 3cwo n LYS 158 Ca 0.09 0.15 0.01 0.00 -0.00 0.00 0.00 58.31 58.57 3cwo n LYS 158 Cb 0.34 -4.74 0.02 0.00 -0.00 0.00 0.00 35.03 30.65 3cwo n LYS 158 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3cwo n SER 159 N -2.19 1.24 0.00 -5.58 2.88 -1.14 -4.32 113.62 104.52 3cwo n SER 159 Ca 0.07 -1.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.78 3cwo n SER 159 Cb 0.48 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3cwo n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cwo n GLY 160 N -0.42 3.13 3.77 0.46 0.00 0.15 -4.94 105.19 107.34 3cwo n GLY 160 Ca 0.02 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3cwo n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cwo s TYR 161 N -2.27 2.59 -1.44 1.61 2.02 -1.25 -3.69 117.35 114.93 3cwo s TYR 161 Ca 0.00 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 3cwo s TYR 161 Cb 0.00 -3.06 -0.05 0.00 -0.40 0.00 0.00 41.96 38.46 3cwo s TYR 161 CO 0.00 -1.78 2.55 -3.47 -1.57 0.00 0.00 175.55 171.28 3cwo n ASP 162 N -3.38 6.23 -0.03 2.29 -0.08 -1.26 -4.70 116.55 115.62 3cwo n ASP 162 Ca 0.09 -2.65 0.24 0.00 -1.51 0.00 0.00 54.79 50.97 3cwo n ASP 162 Cb 0.53 -1.52 0.69 0.00 2.34 0.00 0.00 41.12 43.16 3cwo n ASP 162 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3cwo h THR 163 N 3.50 0.32 -0.01 5.18 1.35 -1.92 0.22 112.91 121.54 3cwo h THR 163 Ca 0.70 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.55 3cwo h THR 163 Cb 0.42 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3cwo h THR 163 CO 1.80 0.00 -0.01 -0.08 -0.25 0.00 0.00 175.52 176.98 3cwo h GLU 164 N 0.00 0.02 -0.92 4.72 4.81 -1.99 -2.80 114.58 118.42 3cwo h GLU 164 Ca 0.30 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 3cwo h GLU 164 Cb 1.59 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.92 3cwo h GLU 164 CO -0.00 0.58 0.61 1.98 -0.73 0.00 0.00 179.01 181.45 3cwo h MET 165 N -0.53 1.20 0.72 1.92 4.05 -1.02 -2.20 114.93 119.07 3cwo h MET 165 Ca 0.00 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 3cwo h MET 165 Cb 0.58 -0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3cwo h MET 165 CO 0.00 0.79 -0.41 0.82 0.23 0.00 0.00 176.91 178.34 3cwo h ILE 166 N 1.24 0.16 -1.14 1.77 2.04 -1.30 -1.85 117.51 118.42 3cwo h ILE 166 Ca 0.34 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.52 3cwo h ILE 166 Cb -0.14 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 36.01 3cwo h ILE 166 CO -0.07 0.00 0.76 0.03 0.00 0.00 0.00 178.15 178.87 3cwo h ARG 167 N -1.06 0.23 -0.13 2.37 3.08 -1.29 0.64 114.38 118.22 3cwo h ARG 167 Ca -0.09 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3cwo h ARG 167 Cb 0.84 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3cwo h ARG 167 CO 0.11 0.15 -0.03 0.35 -1.07 0.00 0.00 179.97 179.48 3cwo h PHE 168 N 0.24 0.29 -0.14 3.04 3.57 -1.07 -3.28 116.94 119.59 3cwo h PHE 168 Ca 0.63 -0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.95 3cwo h PHE 168 Cb 1.92 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.60 3cwo h PHE 168 CO -0.00 0.54 -0.40 0.28 -2.23 0.00 0.00 178.31 176.50 3cwo h VAL 169 N -0.05 1.36 -0.74 1.41 2.07 0.11 -3.39 116.25 117.02 3cwo h VAL 169 Ca 0.03 -1.69 0.07 0.00 0.82 0.00 0.00 66.70 65.94 3cwo h VAL 169 Cb 0.45 2.05 -0.09 0.00 -1.52 0.00 0.00 31.29 32.18 3cwo h VAL 169 CO 0.01 0.51 -0.43 -1.14 0.02 0.00 0.00 177.57 176.54 3cwo n ARG 170 N -4.29 -0.32 0.08 1.57 3.00 0.19 -0.38 116.66 116.52 3cwo n ARG 170 Ca -0.07 1.12 0.13 0.00 -0.00 0.00 0.00 57.85 59.03 3cwo n ARG 170 Cb 0.54 -1.65 0.46 0.00 0.00 0.00 0.00 32.46 31.81 3cwo n ARG 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3cwo n PRO 171 N -4.94 0.18 0.00 -0.14 -0.04 -1.26 -2.75 135.00 126.05 3cwo n PRO 171 Ca 0.02 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 3cwo n PRO 171 Cb 0.20 -1.73 0.60 0.00 -0.04 0.00 0.00 33.50 32.53 3cwo n PRO 171 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3cwo n LEU 172 N -2.05 0.00 -3.74 1.53 4.77 0.49 -4.89 117.00 113.11 3cwo n LEU 172 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 3cwo n LEU 172 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3cwo n LEU 172 CO 0.27 0.00 0.38 0.28 -1.33 0.00 0.00 177.39 176.99 3cwo s THR 173 N -2.00 0.01 -0.21 -5.08 -1.32 -1.11 -4.60 115.64 101.34 3cwo s THR 173 Ca 0.30 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 3cwo s THR 173 Cb 0.14 -1.69 -0.01 0.00 -1.51 0.00 0.00 72.50 69.43 3cwo s THR 173 CO 0.23 -0.03 0.27 0.35 -2.21 0.00 0.00 174.62 173.23 3cwo n THR 174 N -0.40 0.00 -2.44 5.08 -2.24 -1.26 -4.94 114.28 108.07 3cwo n THR 174 Ca -0.08 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 3cwo n THR 174 Cb 0.61 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 3cwo n THR 174 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3cwo s LEU 175 N -1.52 3.79 0.54 3.22 1.43 -1.26 -5.00 118.68 119.88 3cwo s LEU 175 Ca 0.02 1.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.87 3cwo s LEU 175 Cb 0.02 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 3cwo s LEU 175 CO 0.09 -0.90 1.13 -0.81 0.23 0.00 0.00 176.35 176.09 3cwo n PRO 176 N -1.14 1.33 -3.84 1.29 -0.04 -1.26 -4.88 135.00 126.47 3cwo n PRO 176 Ca 0.10 0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 63.75 3cwo n PRO 176 Cb 0.52 -2.30 -0.16 0.00 -0.04 0.00 0.00 33.50 31.52 3cwo n PRO 176 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3cwo s ILE 177 N -1.37 1.18 -0.03 0.52 1.01 -1.26 -1.41 121.20 119.84 3cwo s ILE 177 Ca 0.71 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 3cwo s ILE 177 Cb -0.45 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3cwo s ILE 177 CO 0.50 -0.36 0.95 -0.63 0.00 0.00 0.00 174.94 175.40 3cwo s ILE 178 N 1.51 4.87 -0.15 2.92 1.01 0.04 -0.61 121.20 130.80 3cwo s ILE 178 Ca 0.02 1.98 -0.06 0.00 0.00 0.00 0.00 60.65 62.60 3cwo s ILE 178 Cb -0.18 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 3cwo s ILE 178 CO -0.13 0.14 0.05 0.00 0.00 0.00 0.00 174.94 175.00 3cwo s ALA 179 N 1.21 3.42 0.03 9.38 0.00 0.13 -2.51 121.76 133.42 3cwo s ALA 179 Ca 0.49 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3cwo s ALA 179 Cb -0.20 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3cwo s ALA 179 CO 0.25 0.36 -0.07 0.45 0.00 0.00 0.00 175.76 176.74 3cwo s SER 180 N -0.17 0.83 0.00 0.00 0.15 -0.14 -1.99 113.70 112.39 3cwo s SER 180 Ca 0.07 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3cwo s SER 180 Cb -0.12 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 3cwo s SER 180 CO 0.01 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3cwo n GLY 181 N 2.01 -0.14 2.76 9.45 0.00 -1.26 -1.69 105.19 116.31 3cwo n GLY 181 Ca -0.19 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3cwo n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cwo n GLY 182 N 0.00 5.74 3.57 -0.02 0.00 -1.20 -2.97 105.19 110.32 3cwo n GLY 182 Ca 0.00 -2.59 -0.45 0.00 0.00 0.00 0.00 46.02 42.97 3cwo n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwo n ALA 183 N -0.45 1.50 -0.01 4.61 0.00 -1.26 0.32 120.51 125.23 3cwo n ALA 183 Ca 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 3cwo n ALA 183 Cb 0.37 -2.77 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 3cwo n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cwo n GLY 184 N 5.73 -0.08 3.32 0.00 0.00 -1.26 -4.42 105.19 108.49 3cwo n GLY 184 Ca 0.31 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 3cwo n GLY 184 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cwo s LYS 185 N -2.09 1.12 0.24 1.61 -2.85 -1.26 -4.92 119.74 111.58 3cwo s LYS 185 Ca -0.06 -1.17 -0.08 0.00 -1.00 0.00 0.00 55.97 53.66 3cwo s LYS 185 Cb 0.02 0.37 0.39 0.00 -2.06 0.00 0.00 37.83 36.55 3cwo s LYS 185 CO 0.07 -0.40 1.64 0.52 0.10 0.00 0.00 175.35 177.28 3cwo h MET 186 N 2.58 0.10 -0.95 1.78 2.86 -2.00 0.27 114.93 119.57 3cwo h MET 186 Ca -0.32 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.49 3cwo h MET 186 Cb 1.22 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.78 3cwo h MET 186 CO 0.49 0.07 0.60 1.49 1.06 0.00 0.00 176.91 180.63 3cwo h GLU 187 N 0.10 0.64 0.00 1.72 4.81 -2.01 -2.46 114.58 117.38 3cwo h GLU 187 Ca 0.39 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3cwo h GLU 187 Cb 0.66 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3cwo h GLU 187 CO -0.63 0.42 -0.02 0.45 -0.73 0.00 0.00 179.01 178.50 3cwo h HIS 188 N 0.66 0.00 -0.12 0.92 3.86 -0.86 -2.33 115.15 117.29 3cwo h HIS 188 Ca 0.51 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.50 3cwo h HIS 188 Cb 0.92 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.39 3cwo h HIS 188 CO -0.00 0.02 -0.79 0.74 0.86 0.00 0.00 177.93 178.75 3cwo h PHE 189 N 0.00 0.93 0.17 2.45 -1.00 -1.51 -2.84 116.94 115.14 3cwo h PHE 189 Ca -0.00 -0.42 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3cwo h PHE 189 Cb 0.05 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 3cwo h PHE 189 CO 0.00 1.24 -0.16 1.25 -1.61 0.00 0.00 178.31 179.03 3cwo h LEU 190 N 0.46 -0.42 -0.99 1.54 5.85 -1.52 -1.89 115.31 118.33 3cwo h LEU 190 Ca -0.05 0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.87 3cwo h LEU 190 Cb 1.41 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.49 3cwo h LEU 190 CO 0.16 -0.24 0.61 -0.33 -0.34 0.00 0.00 178.44 178.29 3cwo h GLU 191 N -0.36 0.82 -0.03 1.25 5.08 -1.53 0.34 114.58 120.15 3cwo h GLU 191 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3cwo h GLU 191 Cb 0.33 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3cwo h GLU 191 CO -0.04 0.54 0.01 0.00 -1.00 0.00 0.00 179.01 178.52 3cwo h ALA 192 N 1.60 0.03 -0.70 3.43 0.00 -1.28 -0.07 119.26 122.28 3cwo h ALA 192 Ca 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3cwo h ALA 192 Cb 0.73 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3cwo h ALA 192 CO -0.34 -0.36 0.43 0.74 0.00 0.00 0.00 179.25 179.72 3cwo h PHE 193 N -0.16 0.91 -0.42 0.00 0.04 -0.31 -2.22 116.94 114.78 3cwo h PHE 193 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3cwo h PHE 193 Cb 0.21 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3cwo h PHE 193 CO -0.01 0.61 0.27 -0.07 -0.60 0.00 0.00 178.31 178.52 3cwo h LEU 194 N 0.95 0.49 -0.84 1.54 3.38 -0.19 -2.31 115.31 118.32 3cwo h LEU 194 Ca 0.25 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3cwo h LEU 194 Cb -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3cwo h LEU 194 CO -0.05 0.36 -0.19 0.00 0.09 0.00 0.00 178.44 178.65 3cwo h ALA 195 N 1.73 1.02 0.00 1.53 0.00 -0.40 -3.47 119.26 119.67 3cwo h ALA 195 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cwo h ALA 195 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3cwo h ALA 195 CO -0.03 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.21 3cwo n GLY 196 N -0.38 0.98 3.60 0.00 0.00 -0.87 -4.34 105.19 104.19 3cwo n GLY 196 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 3cwo n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwo n ALA 197 N 0.00 -1.74 0.92 4.61 0.00 -1.04 -4.82 120.51 118.45 3cwo n ALA 197 Ca 0.00 0.52 0.13 0.00 0.00 0.00 0.00 53.44 54.08 3cwo n ALA 197 Cb 0.00 -1.98 0.34 0.00 0.00 0.00 0.00 19.45 17.81 3cwo n ALA 197 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cwo n ASP 198 N 2.87 0.41 -3.54 0.00 8.00 0.22 -4.37 116.55 120.13 3cwo n ASP 198 Ca 0.22 0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.58 3cwo n ASP 198 Cb 0.11 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3cwo n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cwo s ALA 199 N -3.03 -1.78 -0.04 2.24 0.00 -1.02 -4.23 121.76 113.90 3cwo s ALA 199 Ca 0.11 1.46 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3cwo s ALA 199 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3cwo s ALA 199 CO 0.65 -0.36 -0.21 0.00 0.00 0.00 0.00 175.76 175.85 3cwo s ALA 200 N -0.89 1.77 0.03 0.00 0.00 -0.57 0.19 121.76 122.28 3cwo s ALA 200 Ca -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3cwo s ALA 200 Cb -0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3cwo s ALA 200 CO 0.08 0.37 -0.09 -1.17 0.00 0.00 0.00 175.76 174.95 3cwo s LEU 201 N -0.21 3.06 -0.24 0.00 2.96 -0.84 0.13 118.68 123.54 3cwo s LEU 201 Ca 0.01 -0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.42 3cwo s LEU 201 Cb -0.11 -1.78 0.10 0.00 0.50 0.00 0.00 46.19 44.90 3cwo s LEU 201 CO 0.01 0.26 0.91 0.00 -1.32 0.00 0.00 176.35 176.22 3cwo s ALA 202 N -1.03 -1.90 0.11 5.97 0.00 -0.68 -4.70 121.76 119.53 3cwo s ALA 202 Ca 0.18 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.96 3cwo s ALA 202 Cb -0.11 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3cwo s ALA 202 CO 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.56 3cwo n ALA 203 N 2.00 3.00 -0.25 0.00 0.00 -1.26 -1.84 120.51 122.15 3cwo n ALA 203 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3cwo n ALA 203 Cb 0.56 0.24 0.12 0.00 0.00 0.00 0.00 19.45 20.37 3cwo n ALA 203 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3cwo h SER 204 N 0.00 0.57 -0.33 0.00 0.02 -1.95 -2.15 113.55 109.71 3cwo h SER 204 Ca 0.00 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3cwo h SER 204 Cb 0.20 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3cwo h SER 204 CO 0.00 0.35 0.09 -0.37 -1.14 0.00 0.00 176.83 175.75 3cwo h VAL 205 N 0.70 1.19 0.02 2.27 -1.51 -1.90 -2.15 116.25 114.87 3cwo h VAL 205 Ca 0.33 -0.69 -0.21 0.00 -1.23 0.00 0.00 66.70 64.90 3cwo h VAL 205 Cb 0.26 0.79 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 3cwo h VAL 205 CO -0.21 0.25 -1.11 -0.26 -1.23 0.00 0.00 177.57 175.00 3cwo h PHE 206 N 0.60 0.08 -0.85 5.19 -1.00 -1.73 0.21 116.94 119.44 3cwo h PHE 206 Ca 0.14 -0.06 0.13 0.00 2.81 0.00 0.00 57.97 60.98 3cwo h PHE 206 Cb 0.25 -0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.67 3cwo h PHE 206 CO 0.01 1.44 -0.35 0.72 -1.61 0.00 0.00 178.31 178.51 3cwo n HIS 207 N -4.34 -0.02 0.08 -0.55 8.25 -0.83 -0.25 115.22 117.55 3cwo n HIS 207 Ca -0.28 1.05 0.10 0.00 -0.26 0.00 0.00 57.72 58.33 3cwo n HIS 207 Cb 0.70 -0.79 0.27 0.00 1.12 0.00 0.00 29.99 31.28 3cwo n HIS 207 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3cwo n PHE 208 N -5.23 0.81 -3.49 4.41 3.72 -0.81 -4.95 117.46 111.92 3cwo n PHE 208 Ca 0.08 -0.40 -0.26 0.00 -0.05 0.00 0.00 57.45 56.82 3cwo n PHE 208 Cb 0.33 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 3cwo n PHE 208 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3cwo n ARG 209 N 1.26 -4.65 -0.23 -1.08 1.74 0.65 -4.84 116.66 109.51 3cwo n ARG 209 Ca 0.20 0.63 -0.04 0.00 -0.77 0.00 0.00 57.85 57.87 3cwo n ARG 209 Cb 0.51 -5.45 0.13 0.00 -1.02 0.00 0.00 32.46 26.63 3cwo n ARG 209 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3cwo h GLU 210 N -1.52 1.05 -5.26 5.56 5.08 -0.87 -3.45 114.58 115.16 3cwo h GLU 210 Ca -0.51 -0.18 -0.48 0.00 -1.00 0.00 0.00 59.36 57.19 3cwo h GLU 210 Cb 1.34 -0.18 -0.29 0.00 0.50 0.00 0.00 28.75 30.12 3cwo h GLU 210 CO 0.59 0.85 -0.81 0.42 -1.00 0.00 0.00 179.01 179.06 3cwo s ILE 211 N -5.48 1.10 -0.21 3.13 1.01 -0.82 -5.04 121.20 114.88 3cwo s ILE 211 Ca -0.11 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3cwo s ILE 211 Cb 0.16 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3cwo s ILE 211 CO 0.82 0.31 0.38 -0.62 0.00 0.00 0.00 174.94 175.83 3cwo s ASP 212 N -0.31 6.39 0.19 3.58 -1.08 -1.26 -4.45 116.67 119.73 3cwo s ASP 212 Ca 0.05 0.46 -0.10 0.00 -0.52 0.00 0.00 52.55 52.44 3cwo s ASP 212 Cb -0.05 -2.22 0.12 0.00 -1.46 0.00 0.00 42.92 39.31 3cwo s ASP 212 CO -0.00 -0.08 1.79 0.58 0.52 0.00 0.00 175.17 177.98 3cwo h VAL 213 N 5.07 1.23 -0.01 1.11 2.07 -1.98 0.18 116.25 123.91 3cwo h VAL 213 Ca -0.36 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.57 3cwo h VAL 213 Cb 1.16 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3cwo h VAL 213 CO 0.71 0.26 -0.10 0.03 0.02 0.00 0.00 177.57 178.49 3cwo h ARG 214 N 0.97 -0.16 -0.95 1.57 -0.00 -2.00 -2.16 114.38 111.65 3cwo h ARG 214 Ca 0.24 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.77 3cwo h ARG 214 Cb 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 30.04 3cwo h ARG 214 CO -0.03 -0.11 0.62 0.93 0.00 0.00 0.00 179.97 181.38 3cwo h GLU 215 N -0.17 1.15 -0.57 0.04 5.08 -1.77 -2.08 114.58 116.26 3cwo h GLU 215 Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3cwo h GLU 215 Cb 0.22 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3cwo h GLU 215 CO -0.11 0.76 0.10 1.25 -1.00 0.00 0.00 179.01 180.00 3cwo h LEU 216 N 1.18 0.87 -0.28 1.33 5.85 -0.45 0.15 115.31 123.97 3cwo h LEU 216 Ca 0.39 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3cwo h LEU 216 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3cwo h LEU 216 CO -0.13 0.88 0.15 0.50 -0.34 0.00 0.00 178.44 179.50 3cwo h LYS 217 N 0.87 0.39 -0.18 1.25 3.64 -0.92 -2.14 116.57 119.48 3cwo h LYS 217 Ca 0.18 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 3cwo h LYS 217 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3cwo h LYS 217 CO 0.01 0.34 -0.49 0.93 -2.27 0.00 0.00 179.45 177.98 3cwo h GLU 218 N 0.33 0.48 0.33 1.90 4.39 -1.04 0.34 114.58 121.31 3cwo h GLU 218 Ca 0.10 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 3cwo h GLU 218 Cb 0.07 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3cwo h GLU 218 CO -0.02 0.86 -0.18 -0.92 -1.16 0.00 0.00 179.01 177.60 3cwo h TYR 219 N 0.38 -0.46 -0.56 4.33 3.20 -0.61 0.89 116.97 124.13 3cwo h TYR 219 Ca 0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3cwo h TYR 219 Cb 0.99 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 3cwo h TYR 219 CO 0.03 -0.28 0.16 -0.07 -1.64 0.00 0.00 178.16 176.37 3cwo h LEU 220 N -0.47 0.78 -0.68 2.82 3.38 -1.28 -2.44 115.31 117.41 3cwo h LEU 220 Ca -0.04 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3cwo h LEU 220 Cb 0.37 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3cwo h LEU 220 CO 0.06 0.75 0.44 0.50 0.09 0.00 0.00 178.44 180.28 3cwo h LYS 221 N 0.82 0.85 0.00 1.13 3.64 -0.67 -2.07 116.57 120.28 3cwo h LYS 221 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3cwo h LYS 221 Cb 0.26 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3cwo h LYS 221 CO -0.01 0.57 0.00 1.17 -2.27 0.00 0.00 179.45 178.91 3cwo n LYS 222 N -4.64 0.25 -0.02 1.90 4.81 0.28 -1.34 118.16 119.40 3cwo n LYS 222 Ca 0.07 0.12 0.03 0.00 -0.87 0.00 0.00 58.31 57.65 3cwo n LYS 222 Cb 0.05 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.63 3cwo n LYS 222 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3cwo n HIS 223 N -1.21 0.04 -1.49 5.64 8.25 -0.88 -5.01 115.22 120.55 3cwo n HIS 223 Ca 0.07 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3cwo n HIS 223 Cb 0.09 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3cwo n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cwo n GLY 224 N 0.23 0.64 3.89 -1.41 0.00 -0.45 -5.07 105.19 103.03 3cwo n GLY 224 Ca 0.03 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3cwo n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cwo s VAL 225 N -2.00 5.17 -0.03 1.61 1.01 -0.83 -5.03 120.40 120.30 3cwo s VAL 225 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 3cwo s VAL 225 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3cwo s VAL 225 CO 0.00 0.10 0.86 0.20 0.00 0.00 0.00 175.10 176.26 3cwo s ASN 226 N -2.29 7.21 -0.29 3.32 -0.87 -1.26 -4.52 114.94 116.23 3cwo s ASN 226 Ca 0.39 1.46 -0.22 0.00 -1.57 0.00 0.00 52.86 52.92 3cwo s ASN 226 Cb -0.12 -2.50 0.17 0.00 -0.02 0.00 0.00 41.25 38.78 3cwo s ASN 226 CO 0.23 -0.19 1.27 0.68 -2.57 0.00 0.00 177.10 176.51 3cwo s VAL 227 N 0.89 0.00 0.00 1.60 -7.23 -1.16 -3.81 120.40 110.70 3cwo s VAL 227 Ca 0.46 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 3cwo s VAL 227 Cb -0.20 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.74 3cwo s VAL 227 CO 0.24 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.57 3cwo n ARG 228 N 2.27 0.00 -4.32 4.82 5.12 -1.26 -4.96 116.66 118.33 3cwo n ARG 228 Ca -0.13 0.45 -0.19 0.00 -1.93 0.00 0.00 57.85 56.05 3cwo n ARG 228 Cb 0.57 -1.33 -0.13 0.00 -1.16 0.00 0.00 32.46 30.40 3cwo n ARG 228 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 3cwo s LEU 229 N -0.88 2.14 0.18 0.55 0.05 -1.26 -1.85 118.68 117.62 3cwo s LEU 229 Ca 0.00 -0.39 0.04 0.00 0.05 0.00 0.00 54.13 53.84 3cwo s LEU 229 Cb 0.00 -0.51 -0.05 0.00 -2.05 0.00 0.00 46.19 43.58 3cwo s LEU 229 CO 0.00 0.03 -0.07 -1.61 -0.55 0.00 0.00 176.35 174.15 3cwo s GLU 230 N -0.93 1.19 -0.29 1.48 2.02 -0.21 -4.94 118.70 117.01 3cwo s GLU 230 Ca 0.01 -1.55 -0.09 0.00 0.02 0.00 0.00 54.97 53.36 3cwo s GLU 230 Cb -0.07 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.47 3cwo s GLU 230 CO 0.01 0.02 0.12 0.20 0.02 0.00 0.00 175.26 175.63 3cwo s GLY 231 N -3.24 1.83 0.72 -1.39 0.00 -1.26 -0.46 107.32 103.51 3cwo s GLY 231 Ca 0.22 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 3cwo s GLY 231 CO 0.04 0.65 1.03 -2.27 0.00 0.00 0.00 173.10 172.55 3cwo s LEU 232 N 1.60 2.80 -0.29 0.66 1.98 0.12 -1.52 118.68 124.03 3cwo s LEU 232 Ca 0.05 0.45 -0.19 0.00 -2.89 0.00 0.00 54.13 51.54 3cwo s LEU 232 Cb -0.17 -3.07 0.13 0.00 0.66 0.00 0.00 46.19 43.75 3cwo s LEU 232 CO 0.05 -1.65 0.97 -0.22 -1.89 0.00 0.00 176.35 173.61 3cwo s LEU 233 N -5.28 -0.53 -0.11 -0.68 2.96 -1.26 -3.32 118.68 110.46 3cwo s LEU 233 Ca 0.61 0.90 -0.23 0.00 -0.22 0.00 0.00 54.13 55.19 3cwo s LEU 233 Cb -0.10 1.85 0.05 0.00 0.50 0.00 0.00 46.19 48.49 3cwo s LEU 233 CO 0.45 -0.15 0.56 -1.61 -1.32 0.00 0.00 176.35 174.29 3cwo s GLU 234 N 0.99 0.82 0.23 1.98 2.02 -1.02 -0.40 118.70 123.31 3cwo s GLU 234 Ca -0.05 0.40 0.09 0.00 0.02 0.00 0.00 54.97 55.43 3cwo s GLU 234 Cb -0.04 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.53 3cwo s GLU 234 CO -0.12 -0.19 -0.03 -1.01 0.02 0.00 0.00 175.26 173.92 3cwo s HIS 235 N -0.58 2.70 0.00 1.61 3.76 -1.25 -1.00 115.29 120.54 3cwo s HIS 235 Ca -0.07 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3cwo s HIS 235 Cb -0.03 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.41 3cwo s HIS 235 CO 0.05 0.57 0.00 0.72 -0.85 0.00 0.00 174.74 175.23 3cwo n HIS 236 N -0.50 0.00 1.30 1.40 8.25 -1.26 -2.33 115.22 122.07 3cwo n HIS 236 Ca -0.08 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.48 3cwo n HIS 236 Cb 0.57 0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.30 3cwo n HIS 236 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59