#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n73 h ASN 3 N 0.00 1.12 0.60 3.42 2.35 -1.94 -2.39 115.58 118.74 3n73 h ASN 3 Ca 0.00 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3n73 h ASN 3 Cb 0.00 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 3n73 h ASN 3 CO 0.00 0.92 -0.13 -0.29 -1.65 0.00 0.00 177.43 176.28 3n73 h ILE 4 N 1.24 0.44 -0.94 2.81 2.10 -1.97 -3.22 117.51 117.98 3n73 h ILE 4 Ca 0.31 -0.67 0.05 0.00 1.08 0.00 0.00 64.86 65.63 3n73 h ILE 4 Cb 0.06 1.47 -0.06 0.00 -1.09 0.00 0.00 36.82 37.20 3n73 h ILE 4 CO -0.05 0.12 0.60 -0.61 -1.08 0.00 0.00 178.15 177.14 3n73 h GLN 5 N 0.00 1.09 0.00 2.19 5.75 -1.84 0.85 115.11 123.16 3n73 h GLN 5 Ca -0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3n73 h GLN 5 Cb 0.46 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.76 3n73 h GLN 5 CO 0.02 0.72 0.00 0.36 -2.65 0.00 0.00 178.83 177.28 3n73 n LYS 6 N -4.53 0.15 0.02 1.69 2.85 -1.22 -2.51 118.16 114.61 3n73 n LYS 6 Ca 0.13 0.17 0.13 0.00 -1.05 0.00 0.00 58.31 57.69 3n73 n LYS 6 Cb 0.14 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.37 3n73 n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3n73 n ARG 7 N -1.24 0.09 -3.01 -1.58 5.12 0.29 -4.72 116.66 111.62 3n73 n ARG 7 Ca 0.05 0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 3n73 n ARG 7 Cb 0.06 -1.57 -0.06 0.00 -1.16 0.00 0.00 32.46 29.74 3n73 n ARG 7 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3n73 s PHE 8 N -3.05 3.13 -0.05 -1.55 0.08 -1.05 -3.70 117.98 111.79 3n73 s PHE 8 Ca 0.11 0.48 -0.34 0.00 0.12 0.00 0.00 56.93 57.30 3n73 s PHE 8 Cb 0.16 -3.31 -0.12 0.00 -0.57 0.00 0.00 43.02 39.18 3n73 s PHE 8 CO 0.65 -0.70 1.82 0.98 -0.10 0.00 0.00 175.22 177.87 3n73 n TYR 9 N 6.29 2.30 -2.91 0.36 9.36 0.34 -1.56 117.16 131.34 3n73 n TYR 9 Ca 0.02 0.06 -0.15 0.00 3.32 0.00 0.00 57.90 61.15 3n73 n TYR 9 Cb 0.48 -2.63 -0.01 0.00 -0.63 0.00 0.00 39.34 36.55 3n73 n TYR 9 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n73 n LYS 10 N 6.00 -2.77 -1.05 2.98 5.02 -1.26 -0.67 118.16 126.41 3n73 n LYS 10 Ca 0.22 0.41 -0.02 0.00 -2.02 0.00 0.00 58.31 56.89 3n73 n LYS 10 Cb 0.29 -5.03 -0.01 0.00 -0.02 0.00 0.00 35.03 30.26 3n73 n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n73 n GLY 11 N -0.90 0.47 0.79 0.72 0.00 -0.60 -4.89 105.19 100.79 3n73 n GLY 11 Ca -0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 3n73 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n73 n ARG 12 N -1.79 0.13 -3.90 1.61 5.12 0.16 -4.60 116.66 113.38 3n73 n ARG 12 Ca -0.02 0.06 -0.26 0.00 -1.93 0.00 0.00 57.85 55.70 3n73 n ARG 12 Cb 0.21 -0.73 -0.17 0.00 -1.16 0.00 0.00 32.46 30.60 3n73 n ARG 12 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3n73 s VAL 13 N -2.12 0.98 -0.15 1.55 1.01 -1.17 -1.29 120.40 119.21 3n73 s VAL 13 Ca -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3n73 s VAL 13 Cb 0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3n73 s VAL 13 CO 0.11 0.36 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 3n73 s ALA 14 N 1.71 2.82 0.42 5.51 0.00 -0.88 -0.50 121.76 130.84 3n73 s ALA 14 Ca 0.05 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.90 3n73 s ALA 14 Cb -0.13 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.50 3n73 s ALA 14 CO -0.08 0.19 1.14 -0.51 0.00 0.00 0.00 175.76 176.51 3n73 s LEU 15 N 0.42 4.12 -0.23 0.00 1.43 -0.93 -3.43 118.68 120.06 3n73 s LEU 15 Ca -0.07 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 3n73 s LEU 15 Cb -0.15 -4.13 0.06 0.00 0.03 0.00 0.00 46.19 41.99 3n73 s LEU 15 CO 0.04 -0.72 -0.07 0.21 0.23 0.00 0.00 176.35 176.04 3n73 s ASN 16 N -1.31 3.81 0.18 2.29 3.84 -0.55 -1.26 114.94 121.95 3n73 s ASN 16 Ca 0.59 -1.14 0.06 0.00 0.21 0.00 0.00 52.86 52.58 3n73 s ASN 16 Cb -0.28 -1.22 -0.05 0.00 -0.55 0.00 0.00 41.25 39.15 3n73 s ASN 16 CO 0.35 -0.21 -0.11 0.68 -2.79 0.00 0.00 177.10 175.02 3n73 s VAL 17 N 1.37 1.38 0.33 -5.21 -7.23 -1.13 -1.67 120.40 108.24 3n73 s VAL 17 Ca -0.05 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 57.87 3n73 s VAL 17 Cb -0.18 -1.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 3n73 s VAL 17 CO -0.06 -0.65 0.71 -0.76 -0.31 0.00 0.00 175.10 174.03 3n73 s LEU 18 N -3.24 4.02 -0.04 1.32 1.43 -1.26 -0.53 118.68 120.38 3n73 s LEU 18 Ca 0.20 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.51 3n73 s LEU 18 Cb 0.02 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 3n73 s LEU 18 CO 0.04 -0.23 -0.15 0.00 0.23 0.00 0.00 176.35 176.23 3n73 s ALA 19 N -2.06 2.63 0.05 4.21 0.00 -0.69 -4.51 121.76 121.39 3n73 s ALA 19 Ca 0.52 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3n73 s ALA 19 Cb -0.10 -0.93 -0.25 0.00 0.00 0.00 0.00 23.12 21.84 3n73 s ALA 19 CO 0.22 0.56 1.02 -0.97 0.00 0.00 0.00 175.76 176.58 3n73 h ASN 20 N 5.31 0.25 -5.12 0.00 -1.24 -1.88 -3.45 115.58 109.45 3n73 h ASN 20 Ca -0.46 -0.31 0.04 0.00 0.71 0.00 0.00 56.30 56.28 3n73 h ASN 20 Cb 1.15 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 3n73 h ASN 20 CO 0.50 1.25 0.37 0.54 -1.29 0.00 0.00 177.43 178.80 3n73 s ASN 21 N -6.84 -0.01 0.18 1.15 2.20 -1.26 -5.02 114.94 105.34 3n73 s ASN 21 Ca -0.05 -0.97 -0.05 0.00 -0.94 0.00 0.00 52.86 50.85 3n73 s ASN 21 Cb 0.08 0.74 0.09 0.00 -2.00 0.00 0.00 41.25 40.16 3n73 s ASN 21 CO 0.85 -1.46 1.51 0.40 -2.94 0.00 0.00 177.10 175.45 3n73 h ILE 22 N 2.00 1.30 -0.96 0.54 2.04 -1.96 -0.83 117.51 119.64 3n73 h ILE 22 Ca -0.30 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3n73 h ILE 22 Cb 1.24 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 3n73 h ILE 22 CO 0.38 0.54 0.60 -0.33 0.00 0.00 0.00 178.15 179.35 3n73 h GLU 23 N 0.51 1.28 -0.50 2.37 4.39 -1.99 -0.67 114.58 119.97 3n73 h GLU 23 Ca 0.02 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 3n73 h GLU 23 Cb 1.04 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3n73 h GLU 23 CO 0.10 0.88 -0.05 -0.97 -1.16 0.00 0.00 179.01 177.81 3n73 h ASN 24 N 1.31 0.92 -0.56 1.42 -0.00 -1.71 -1.41 115.58 115.56 3n73 h ASN 24 Ca 0.35 -0.33 0.02 0.00 -0.00 0.00 0.00 56.30 56.34 3n73 h ASN 24 Cb -0.10 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 37.94 3n73 h ASN 24 CO -0.07 1.03 0.35 0.00 -0.00 0.00 0.00 177.43 178.74 3n73 h ALA 25 N 0.92 0.72 -0.25 1.57 0.00 -0.85 0.14 119.26 121.51 3n73 h ALA 25 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3n73 h ALA 25 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3n73 h ALA 25 CO 0.04 0.09 0.11 0.87 0.00 0.00 0.00 179.25 180.35 3n73 h LYS 26 N 0.70 0.37 -0.84 0.00 1.57 -0.92 -1.36 116.57 116.08 3n73 h LYS 26 Ca 0.22 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3n73 h LYS 26 Cb -0.01 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3n73 h LYS 26 CO -0.08 0.39 0.41 -0.44 -0.57 0.00 0.00 179.45 179.16 3n73 h ASP 27 N 0.26 1.09 -0.11 0.86 3.32 -0.94 -0.60 116.42 120.29 3n73 h ASP 27 Ca 0.08 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3n73 h ASP 27 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3n73 h ASP 27 CO -0.01 0.91 0.05 0.40 -1.72 0.00 0.00 179.24 178.88 3n73 h ILE 28 N 1.19 1.12 -0.80 0.35 2.04 -0.68 -0.56 117.51 120.16 3n73 h ILE 28 Ca 0.29 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3n73 h ILE 28 Cb 0.11 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3n73 h ILE 28 CO -0.04 0.11 0.51 0.15 0.00 0.00 0.00 178.15 178.88 3n73 h PHE 29 N 0.06 0.96 -0.28 1.37 3.57 -0.93 -0.27 116.94 121.41 3n73 h PHE 29 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3n73 h PHE 29 Cb 0.13 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3n73 h PHE 29 CO -0.03 0.56 0.08 1.49 -2.23 0.00 0.00 178.31 178.18 3n73 h GLU 30 N 1.01 0.44 -0.24 1.11 4.81 -1.03 -1.21 114.58 119.48 3n73 h GLU 30 Ca 0.32 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3n73 h GLU 30 Cb -0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3n73 h GLU 30 CO -0.11 0.52 -0.01 0.00 -0.73 0.00 0.00 179.01 178.67 3n73 h ALA 31 N 0.91 1.54 -0.16 2.92 0.00 -0.43 -2.28 119.26 121.75 3n73 h ALA 31 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3n73 h ALA 31 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3n73 h ALA 31 CO -0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3n73 n ALA 32 N -2.49 2.52 -3.20 0.00 0.00 -0.17 -4.45 120.51 112.72 3n73 n ALA 32 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 3n73 n ALA 32 Cb 0.21 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.57 3n73 n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3n73 n GLU 33 N 0.26 -3.69 -0.45 0.00 1.02 -0.86 -0.96 120.64 115.96 3n73 n GLU 33 Ca 0.16 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 3n73 n GLU 33 Cb 0.31 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 3n73 n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n73 n GLY 34 N -1.23 1.54 2.55 0.62 0.00 -0.48 -4.93 105.19 103.26 3n73 n GLY 34 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3n73 n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3n73 n TYR 35 N -2.00 2.65 -3.58 1.61 4.01 -0.14 -4.53 117.16 115.18 3n73 n TYR 35 Ca 0.00 -2.75 -0.14 0.00 -0.16 0.00 0.00 57.90 54.85 3n73 n TYR 35 Cb 0.00 -1.68 -0.06 0.00 -0.31 0.00 0.00 39.34 37.29 3n73 n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3n73 s VAL 36 N -1.85 0.00 0.01 -0.72 0.11 -1.24 -2.18 120.40 114.53 3n73 s VAL 36 Ca 0.49 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.60 3n73 s VAL 36 Cb 0.18 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 3n73 s VAL 36 CO -0.09 0.00 -0.16 0.68 -3.33 0.00 0.00 175.10 172.19 3n73 s VAL 37 N -0.47 2.90 -0.19 2.04 -7.23 -0.39 -4.92 120.40 112.15 3n73 s VAL 37 Ca -0.04 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3n73 s VAL 37 Cb -0.02 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3n73 s VAL 37 CO 0.03 0.41 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.42 3n73 s VAL 38 N -0.87 2.76 -0.03 1.32 1.01 -0.58 -2.83 120.40 121.18 3n73 s VAL 38 Ca 0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3n73 s VAL 38 Cb -0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3n73 s VAL 38 CO 0.04 0.48 1.00 -0.83 0.00 0.00 0.00 175.10 175.80 3n73 s GLY 39 N 1.29 2.71 -0.12 4.51 0.00 0.31 -0.69 107.32 115.33 3n73 s GLY 39 Ca 0.04 0.51 0.03 0.00 0.00 0.00 0.00 44.72 45.29 3n73 s GLY 39 CO -0.06 1.78 -0.21 0.14 0.00 0.00 0.00 173.10 174.75 3n73 s VAL 40 N 1.33 1.92 -0.14 1.40 1.01 -0.73 -1.70 120.40 123.49 3n73 s VAL 40 Ca 0.51 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3n73 s VAL 40 Cb -0.21 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3n73 s VAL 40 CO 0.25 0.53 0.35 -0.76 0.00 0.00 0.00 175.10 175.46 3n73 s LEU 41 N 0.65 4.27 0.34 3.92 1.43 -1.26 -1.05 118.68 126.98 3n73 s LEU 41 Ca -0.12 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3n73 s LEU 41 Cb -0.16 -2.47 0.61 0.00 0.03 0.00 0.00 46.19 44.20 3n73 s LEU 41 CO 0.03 0.09 1.98 0.77 0.23 0.00 0.00 176.35 179.44 3n73 h SER 42 N 6.57 0.72 -0.07 2.29 4.64 -1.37 -2.26 113.55 124.07 3n73 h SER 42 Ca -0.42 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 3n73 h SER 42 Cb 1.17 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3n73 h SER 42 CO 0.75 0.55 0.08 0.50 -0.87 0.00 0.00 176.83 177.84 3n73 h LYS 43 N 0.83 0.00 0.00 4.77 3.64 -1.78 -1.96 116.57 122.07 3n73 h LYS 43 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3n73 h LYS 43 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3n73 h LYS 43 CO -0.04 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.89 3n73 n ASP 44 N -3.78 0.00 -4.07 4.20 8.00 -0.85 -4.76 116.55 115.29 3n73 n ASP 44 Ca -0.01 -0.67 -0.22 0.00 0.71 0.00 0.00 54.79 54.59 3n73 n ASP 44 Cb 0.18 -0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 3n73 n ASP 44 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n73 s TYR 45 N -2.07 1.23 0.34 1.24 2.02 -0.74 -5.05 117.35 114.33 3n73 s TYR 45 Ca 0.35 -0.29 0.23 0.00 -0.37 0.00 0.00 57.07 56.99 3n73 s TYR 45 Cb 0.16 -0.83 1.17 0.00 -0.40 0.00 0.00 41.96 42.07 3n73 s TYR 45 CO 0.29 -0.08 1.96 -1.00 -1.57 0.00 0.00 175.55 175.15 3n73 h PRO 46 N 6.11 0.00 -4.58 -1.71 0.14 -1.85 -3.46 132.00 126.64 3n73 h PRO 46 Ca -0.33 0.00 -0.22 0.00 0.14 0.00 0.00 66.00 65.59 3n73 h PRO 46 Cb 1.17 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.16 3n73 h PRO 46 CO 0.49 0.20 -0.67 0.95 0.14 0.00 0.00 178.00 179.11 3n73 s THR 47 N -4.08 0.45 0.19 1.56 -4.23 -1.26 -5.05 115.64 103.22 3n73 s THR 47 Ca -0.02 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 3n73 s THR 47 Cb 0.13 -1.93 0.10 0.00 1.34 0.00 0.00 72.50 72.14 3n73 s THR 47 CO 0.63 -0.62 1.86 0.58 -0.54 0.00 0.00 174.62 176.52 3n73 h VAL 48 N 2.86 1.16 -0.32 2.29 2.07 -1.94 -2.22 116.25 120.15 3n73 h VAL 48 Ca -0.36 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3n73 h VAL 48 Cb 1.19 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3n73 h VAL 48 CO 0.62 0.15 0.20 -0.08 0.02 0.00 0.00 177.57 178.49 3n73 h GLU 49 N 0.85 0.40 -0.86 1.57 4.81 -1.99 -0.60 114.58 118.76 3n73 h GLU 49 Ca 0.23 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3n73 h GLU 49 Cb -0.10 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 3n73 h GLU 49 CO -0.05 0.27 0.43 0.93 -0.73 0.00 0.00 179.01 179.86 3n73 h GLU 50 N 0.42 1.23 -0.04 1.92 5.08 -1.95 -1.22 114.58 120.02 3n73 h GLU 50 Ca 0.12 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3n73 h GLU 50 Cb -0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 3n73 h GLU 50 CO -0.03 0.93 0.02 0.00 -1.00 0.00 0.00 179.01 178.93 3n73 h ALA 51 N 1.23 0.05 -0.09 3.43 0.00 -0.99 -1.77 119.26 121.13 3n73 h ALA 51 Ca 0.30 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3n73 h ALA 51 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3n73 h ALA 51 CO -0.04 -0.40 -0.11 0.28 0.00 0.00 0.00 179.25 178.98 3n73 h VAL 52 N -0.03 0.69 -0.48 0.00 2.07 -0.92 -2.71 116.25 114.87 3n73 h VAL 52 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3n73 h VAL 52 Cb 0.09 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3n73 h VAL 52 CO -0.00 0.00 0.09 0.74 0.02 0.00 0.00 177.57 178.42 3n73 h THR 53 N -0.15 0.73 0.00 2.57 2.02 -1.15 -0.90 112.91 116.03 3n73 h THR 53 Ca 0.07 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3n73 h THR 53 Cb 0.25 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3n73 h THR 53 CO -0.17 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.76 3n73 n ALA 54 N -2.52 1.32 0.00 6.16 0.00 -0.67 -2.01 120.51 122.79 3n73 n ALA 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3n73 n ALA 54 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3n73 n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3n73 n LYS 56 N 0.51 0.00 -0.02 0.00 5.02 -0.34 -0.84 118.16 122.49 3n73 n LYS 56 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3n73 n LYS 56 Cb 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.09 3n73 n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n73 h ALA 57 N 0.00 0.65 -0.11 7.82 0.00 -1.65 -0.52 119.26 125.44 3n73 h ALA 57 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3n73 h ALA 57 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3n73 h ALA 57 CO 0.00 0.69 0.01 1.88 0.00 0.00 0.00 179.25 181.82 3n73 h TYR 58 N 0.49 0.21 -0.99 0.00 0.05 -1.27 -3.27 116.97 112.19 3n73 h TYR 58 Ca 0.01 -0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.86 3n73 h TYR 58 Cb 1.10 -0.06 -0.08 0.00 1.01 0.00 0.00 36.73 38.71 3n73 h TYR 58 CO 0.05 0.41 0.63 0.78 -1.05 0.00 0.00 178.16 178.99 3n73 h GLY 59 N -0.06 1.55 -0.00 3.88 0.00 -1.77 -2.65 103.07 104.02 3n73 h GLY 59 Ca 0.03 -0.44 0.22 0.00 0.00 0.00 0.00 47.33 47.15 3n73 h GLY 59 CO 0.00 0.23 0.62 1.70 0.00 0.00 0.00 176.54 179.09 3n73 h LYS 60 N 1.05 0.60 0.00 4.80 3.64 -1.14 0.83 116.57 126.35 3n73 h LYS 60 Ca 0.46 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3n73 h LYS 60 Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3n73 h LYS 60 CO -0.22 0.40 -0.58 0.93 -2.27 0.00 0.00 179.45 177.71 3n73 h GLU 61 N 0.62 0.00 -0.84 1.90 4.39 -1.61 -3.38 114.58 115.65 3n73 h GLU 61 Ca 0.60 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.88 3n73 h GLU 61 Cb 1.13 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.37 3n73 h GLU 61 CO -0.39 0.11 -0.98 0.44 -1.16 0.00 0.00 179.01 177.03 3n73 n ILE 62 N -2.95 1.79 -3.19 3.13 -5.35 -0.82 -4.95 119.36 107.01 3n73 n ILE 62 Ca 0.01 -3.70 -0.22 0.00 -0.27 0.00 0.00 62.75 58.57 3n73 n ILE 62 Cb 0.60 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.49 3n73 n ILE 62 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3n73 n GLU 63 N -0.50 -3.70 -2.35 6.28 1.02 -1.12 -1.07 120.64 119.21 3n73 n GLU 63 Ca 0.24 0.60 -0.17 0.00 -0.02 0.00 0.00 57.16 57.82 3n73 n GLU 63 Cb 0.83 -5.34 -0.01 0.00 -0.02 0.00 0.00 31.44 26.89 3n73 n GLU 63 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3n73 n ASP 64 N -2.31 -4.87 -2.61 1.62 8.00 0.23 -4.86 116.55 111.74 3n73 n ASP 64 Ca -0.05 0.11 -0.25 0.00 0.71 0.00 0.00 54.79 55.31 3n73 n ASP 64 Cb 0.57 -4.11 -0.09 0.00 -0.02 0.00 0.00 41.12 37.46 3n73 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n73 n ALA 65 N -1.90 6.78 -2.80 2.24 0.00 -0.23 -2.59 120.51 122.01 3n73 n ALA 65 Ca -0.19 -2.75 -0.36 0.00 0.00 0.00 0.00 53.44 50.14 3n73 n ALA 65 Cb 0.64 -2.64 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 3n73 n ALA 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n73 s VAL 66 N 0.59 5.07 -0.30 0.00 1.01 -1.26 -1.53 120.40 123.97 3n73 s VAL 66 Ca 0.65 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 3n73 s VAL 66 Cb 0.28 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3n73 s VAL 66 CO -0.06 0.55 0.17 -0.55 0.00 0.00 0.00 175.10 175.21 3n73 s SER 67 N -0.43 5.72 -0.29 3.32 0.15 0.13 -1.14 113.70 121.16 3n73 s SER 67 Ca 0.11 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.12 3n73 s SER 67 Cb -0.12 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3n73 s SER 67 CO 0.02 -0.15 1.23 -0.63 1.20 0.00 0.00 173.24 174.91 3n73 s ILE 68 N 1.67 4.26 0.12 6.45 1.01 0.36 -1.77 121.20 133.30 3n73 s ILE 68 Ca 0.06 1.44 -0.05 0.00 0.00 0.00 0.00 60.65 62.10 3n73 s ILE 68 Cb -0.17 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 3n73 s ILE 68 CO 0.08 -0.44 0.36 -0.83 0.00 0.00 0.00 174.94 174.11 3n73 s GLY 69 N 2.37 2.24 -0.09 6.18 0.00 -0.21 -1.41 107.32 116.41 3n73 s GLY 69 Ca 0.53 -0.57 -0.19 0.00 0.00 0.00 0.00 44.72 44.49 3n73 s GLY 69 CO 0.20 -0.47 0.67 1.41 0.00 0.00 0.00 173.10 174.91 3n73 h LEU 70 N 3.02 -0.08 0.00 0.66 3.38 -1.88 -1.18 115.31 119.22 3n73 h LEU 70 Ca -0.46 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.02 3n73 h LEU 70 Cb 1.17 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3n73 h LEU 70 CO 0.72 0.60 0.00 0.61 0.09 0.00 0.00 178.44 180.46 3n73 n GLY 71 N 1.15 0.99 3.94 0.83 0.00 -1.26 -3.38 105.19 107.45 3n73 n GLY 71 Ca -0.07 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 3n73 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n73 n ALA 72 N 0.00 -1.57 -1.70 4.61 0.00 -1.26 -2.12 120.51 118.47 3n73 n ALA 72 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3n73 n ALA 72 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 19.45 16.18 3n73 n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n73 n GLY 73 N -1.67 1.64 3.62 0.00 0.00 -1.26 -4.95 105.19 102.58 3n73 n GLY 73 Ca -0.09 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3n73 n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n73 s ASP 74 N -2.69 6.12 0.39 1.61 3.68 -0.90 -4.88 116.67 120.00 3n73 s ASP 74 Ca 0.00 1.76 0.28 0.00 2.13 0.00 0.00 52.55 56.72 3n73 s ASP 74 Cb 0.00 -2.53 1.07 0.00 -1.45 0.00 0.00 42.92 40.01 3n73 s ASP 74 CO 0.00 -1.45 1.82 -0.55 0.13 0.00 0.00 175.17 175.12 3n73 h ASN 75 N 11.95 0.00 0.25 -0.34 7.08 -1.91 -1.68 115.58 130.93 3n73 h ASN 75 Ca -0.37 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.82 3n73 h ASN 75 Cb 1.18 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.42 3n73 h ASN 75 CO 0.99 0.00 -0.13 0.03 -2.08 0.00 0.00 177.43 176.24 3n73 h ARG 76 N 0.00 0.00 -0.00 4.14 3.08 -1.95 -2.04 114.38 117.60 3n73 h ARG 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3n73 h ARG 76 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3n73 h ARG 76 CO 0.00 0.13 -0.01 1.04 -1.07 0.00 0.00 179.97 180.06 3n73 n GLN 77 N -3.93 1.06 -0.05 0.04 1.13 -0.63 -4.29 117.38 110.71 3n73 n GLN 77 Ca -0.02 -0.22 -0.11 0.00 -1.94 0.00 0.00 57.00 54.71 3n73 n GLN 77 Cb 0.22 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 3n73 n GLN 77 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3n73 h ALA 78 N 3.99 0.22 -0.73 -1.58 0.00 -1.52 -1.45 119.26 118.20 3n73 h ALA 78 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3n73 h ALA 78 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3n73 h ALA 78 CO 0.00 -0.14 0.43 0.00 0.00 0.00 0.00 179.25 179.54 3n73 h ALA 79 N 0.86 1.39 -0.29 0.00 0.00 -1.80 -1.82 119.26 117.61 3n73 h ALA 79 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3n73 h ALA 79 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3n73 h ALA 79 CO -0.00 0.52 0.12 0.28 0.00 0.00 0.00 179.25 180.17 3n73 h VAL 80 N 1.00 1.17 -0.70 0.00 2.07 -1.71 -2.47 116.25 115.61 3n73 h VAL 80 Ca 0.26 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3n73 h VAL 80 Cb -0.03 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3n73 h VAL 80 CO -0.05 0.17 0.35 0.58 0.02 0.00 0.00 177.57 178.64 3n73 h VAL 81 N 0.32 1.23 -0.83 2.57 2.07 -1.13 -0.99 116.25 119.49 3n73 h VAL 81 Ca 0.10 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.06 3n73 h VAL 81 Cb 0.16 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 3n73 h VAL 81 CO -0.01 0.26 0.54 0.00 0.02 0.00 0.00 177.57 178.38 3n73 h ALA 82 N 1.17 1.61 -0.04 1.67 0.00 -1.18 -2.09 119.26 120.40 3n73 h ALA 82 Ca 0.24 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3n73 h ALA 82 Cb 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3n73 h ALA 82 CO -0.03 0.26 -0.74 1.49 0.00 0.00 0.00 179.25 180.23 3n73 h GLU 83 N 0.89 0.58 -0.94 0.00 4.57 -1.06 -3.17 114.58 115.45 3n73 h GLU 83 Ca 0.36 -0.56 0.15 0.00 -1.18 0.00 0.00 59.36 58.12 3n73 h GLU 83 Cb 0.25 0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 28.90 3n73 h GLU 83 CO -0.13 1.18 0.60 0.82 -1.18 0.00 0.00 179.01 180.30 3n73 h ILE 84 N 0.18 0.83 -0.15 2.32 2.04 -0.72 -1.48 117.51 120.52 3n73 h ILE 84 Ca -0.08 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3n73 h ILE 84 Cb 1.41 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3n73 h ILE 84 CO 0.15 0.14 0.16 0.00 0.00 0.00 0.00 178.15 178.60 3n73 h ALA 85 N 1.59 1.78 0.00 1.87 0.00 -1.36 0.21 119.26 123.36 3n73 h ALA 85 Ca 0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 3n73 h ALA 85 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3n73 h ALA 85 CO -0.25 -0.24 -0.17 0.87 0.00 0.00 0.00 179.25 179.46 3n73 h LYS 86 N 0.00 0.00 0.00 0.00 1.57 -1.35 -3.33 116.57 113.46 3n73 h LYS 86 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3n73 h LYS 86 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3n73 h LYS 86 CO -0.00 0.17 -0.79 0.72 -0.57 0.00 0.00 179.45 178.98 3n73 n HIS 87 N -3.81 0.00 -3.53 -1.35 8.25 0.46 -4.96 115.22 110.28 3n73 n HIS 87 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 3n73 n HIS 87 Cb 0.27 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 3n73 n HIS 87 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3n73 s TYR 88 N -1.84 -1.08 -0.28 4.41 5.04 0.45 -5.04 117.35 119.00 3n73 s TYR 88 Ca -0.00 1.68 0.20 0.00 -2.44 0.00 0.00 57.07 56.50 3n73 s TYR 88 Cb 0.01 0.44 0.14 0.00 0.35 0.00 0.00 41.96 42.91 3n73 s TYR 88 CO 0.07 -0.63 1.38 -1.00 -1.34 0.00 0.00 175.55 174.03 3n73 h PRO 89 N 8.10 0.00 0.00 4.97 0.13 -1.83 -3.35 132.00 140.02 3n73 h PRO 89 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3n73 h PRO 89 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3n73 h PRO 89 CO 0.16 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 3n73 n GLY 90 N 1.19 0.91 0.00 1.56 0.00 -1.26 -4.21 105.19 103.38 3n73 n GLY 90 Ca 0.01 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.42 3n73 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3n73 n SER 91 N -3.44 2.49 -3.72 1.61 7.64 -0.29 -4.86 113.62 113.05 3n73 n SER 91 Ca 0.00 -0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.61 3n73 n SER 91 Cb 0.00 1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 64.40 3n73 n SER 91 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3n73 s HIS 92 N -2.41 -0.51 -0.06 1.43 5.65 -0.84 -3.08 115.29 115.46 3n73 s HIS 92 Ca -0.02 1.20 0.00 0.00 0.25 0.00 0.00 55.06 56.49 3n73 s HIS 92 Cb 0.06 0.20 0.02 0.00 -1.18 0.00 0.00 32.58 31.68 3n73 s HIS 92 CO 0.35 -0.26 -0.03 0.42 -0.65 0.00 0.00 174.74 174.56 3n73 s ILE 93 N 0.57 0.54 -0.11 0.89 1.01 0.10 -0.49 121.20 123.72 3n73 s ILE 93 Ca -0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 3n73 s ILE 93 Cb -0.05 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 3n73 s ILE 93 CO -0.03 0.26 0.79 0.20 0.00 0.00 0.00 174.94 176.15 3n73 s ASN 94 N 1.38 7.01 0.05 3.58 0.01 -0.50 -1.21 114.94 125.26 3n73 s ASN 94 Ca -0.04 1.23 -0.10 0.00 -0.71 0.00 0.00 52.86 53.24 3n73 s ASN 94 Cb -0.13 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3n73 s ASN 94 CO -0.03 -0.26 0.21 -1.58 -1.51 0.00 0.00 177.10 173.93 3n73 s GLN 95 N 1.45 0.73 0.30 -0.60 2.00 -1.19 -4.49 119.66 117.86 3n73 s GLN 95 Ca 0.39 -0.67 -0.16 0.00 -2.00 0.00 0.00 55.36 52.93 3n73 s GLN 95 Cb -0.18 0.30 -0.09 0.00 0.80 0.00 0.00 33.01 33.85 3n73 s GLN 95 CO 0.17 -0.22 0.73 0.14 -0.50 0.00 0.00 175.29 175.61 3n73 s VAL 96 N -2.77 4.67 0.24 1.34 -7.23 -1.26 -1.02 120.40 114.37 3n73 s VAL 96 Ca -0.04 0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 60.99 3n73 s VAL 96 Cb -0.00 -3.65 0.30 0.00 0.56 0.00 0.00 36.38 33.59 3n73 s VAL 96 CO -0.05 -0.12 1.57 0.15 -0.31 0.00 0.00 175.10 176.35 3n73 h PHE 97 N 2.45 -0.71 -0.00 2.82 3.57 -1.82 -1.33 116.94 121.92 3n73 h PHE 97 Ca -0.48 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3n73 h PHE 97 Cb 1.18 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.36 3n73 h PHE 97 CO 0.62 -0.39 -0.00 -0.35 -2.23 0.00 0.00 178.31 175.96 3n73 n PRO 98 N -5.52 0.56 -0.13 6.41 -0.04 -1.26 -2.72 135.00 132.30 3n73 n PRO 98 Ca 0.11 -0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 3n73 n PRO 98 Cb 0.42 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 3n73 n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3n73 n SER 99 N -1.21 3.11 -0.22 3.54 7.64 -0.51 -4.59 113.62 121.38 3n73 n SER 99 Ca 0.16 -1.92 -0.05 0.00 1.01 0.00 0.00 58.87 58.07 3n73 n SER 99 Cb 0.22 -0.17 0.05 0.00 -1.01 0.00 0.00 64.21 63.30 3n73 n SER 99 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3n73 h VAL 100 N 3.97 1.15 -0.37 0.44 2.07 -1.37 -2.59 116.25 119.56 3n73 h VAL 100 Ca 0.00 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3n73 h VAL 100 Cb 0.89 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3n73 h VAL 100 CO 0.00 0.16 0.13 1.23 0.02 0.00 0.00 177.57 179.11 3n73 h GLY 101 N 0.85 0.60 1.06 2.17 0.00 -1.81 -1.28 103.07 104.67 3n73 h GLY 101 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3n73 h GLY 101 CO -0.06 0.32 0.53 0.00 0.00 0.00 0.00 176.54 177.34 3n73 h ALA 102 N 0.98 1.23 -0.29 3.60 0.00 -1.85 -1.61 119.26 121.32 3n73 h ALA 102 Ca 0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3n73 h ALA 102 Cb 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3n73 h ALA 102 CO -0.01 0.65 -0.44 1.15 0.00 0.00 0.00 179.25 180.60 3n73 h THR 103 N 1.25 1.29 -0.14 0.00 2.02 -1.05 -0.59 112.91 115.69 3n73 h THR 103 Ca 0.32 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3n73 h THR 103 Cb -0.03 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3n73 h THR 103 CO -0.06 0.53 0.03 -0.09 0.37 0.00 0.00 175.52 176.30 3n73 h ARG 104 N 0.57 0.23 -0.30 6.66 9.65 -1.12 -1.85 114.38 128.21 3n73 h ARG 104 Ca 0.03 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 3n73 h ARG 104 Cb 1.03 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.54 3n73 h ARG 104 CO 0.10 0.39 0.01 0.00 2.80 0.00 0.00 179.97 183.28 3n73 h ALA 105 N 0.83 0.28 0.00 2.80 0.00 -1.24 -2.16 119.26 119.78 3n73 h ALA 105 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3n73 h ALA 105 Cb 0.27 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n73 h ALA 105 CO 0.00 -0.40 -0.02 -0.91 0.00 0.00 0.00 179.25 177.93 3n73 h ASN 106 N 0.11 0.00 -0.01 0.00 2.35 -0.84 -1.04 115.58 116.15 3n73 h ASN 106 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3n73 h ASN 106 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3n73 h ASN 106 CO -0.23 0.02 0.09 -0.07 -1.65 0.00 0.00 177.43 175.59 3n73 h LEU 107 N 0.00 0.00 1.66 1.61 3.38 -0.65 -3.30 115.31 118.01 3n73 h LEU 107 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3n73 h LEU 107 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3n73 h LEU 107 CO 0.00 0.00 -0.52 0.61 0.09 0.00 0.00 178.44 178.63 3n73 n GLY 108 N -1.14 -0.51 0.97 0.83 0.00 -0.39 -1.86 105.19 103.09 3n73 n GLY 108 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3n73 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n73 n GLY 109 N -1.18 0.67 3.77 -0.02 0.00 -1.26 -5.06 105.19 102.11 3n73 n GLY 109 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3n73 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n73 s LYS 110 N -0.68 4.38 -0.00 1.61 1.02 -0.78 -4.97 119.74 120.33 3n73 s LYS 110 Ca 0.00 1.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.42 3n73 s LYS 110 Cb 0.00 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 3n73 s LYS 110 CO 0.00 -0.00 1.33 0.34 -0.92 0.00 0.00 175.35 176.10 3n73 s ASP 111 N -1.13 6.92 0.26 2.83 2.15 -1.26 -4.92 116.67 121.52 3n73 s ASP 111 Ca 0.51 2.04 -0.18 0.00 0.43 0.00 0.00 52.55 55.35 3n73 s ASP 111 Cb -0.29 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.78 3n73 s ASP 111 CO 0.37 -0.66 0.62 -0.55 -0.17 0.00 0.00 175.17 174.78 3n73 s SER 112 N 1.67 -0.22 -0.19 -0.34 0.15 -1.26 -4.90 113.70 108.61 3n73 s SER 112 Ca 0.61 -0.67 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 3n73 s SER 112 Cb -0.30 0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 3n73 s SER 112 CO 0.26 -1.25 -0.05 0.86 1.20 0.00 0.00 173.24 174.26 3n73 s TRP 113 N -3.94 2.96 -0.17 3.44 -0.11 -1.18 -5.01 118.94 114.93 3n73 s TRP 113 Ca 0.14 -0.69 0.00 0.00 1.22 0.00 0.00 56.10 56.78 3n73 s TRP 113 Cb -0.04 -2.03 0.01 0.00 -1.50 0.00 0.00 33.47 29.91 3n73 s TRP 113 CO 0.06 -0.34 -0.16 0.42 -4.62 0.00 0.00 176.95 172.30 3n73 s ILE 114 N 1.01 2.47 0.58 5.86 1.01 -1.26 0.01 121.20 130.88 3n73 s ILE 114 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3n73 s ILE 114 Cb -0.15 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3n73 s ILE 114 CO 0.00 0.51 0.87 0.54 0.00 0.00 0.00 174.94 176.87 3n73 s ASN 115 N 1.09 5.54 -0.17 3.58 2.20 -0.35 -0.62 114.94 126.22 3n73 s ASN 115 Ca -0.00 0.59 -0.00 0.00 -0.94 0.00 0.00 52.86 52.51 3n73 s ASN 115 Cb -0.14 -1.59 0.04 0.00 -2.00 0.00 0.00 41.25 37.56 3n73 s ASN 115 CO -0.05 -1.06 -0.07 -0.55 -2.94 0.00 0.00 177.10 172.42 3n73 s SER 116 N -4.32 2.97 -0.10 3.54 0.15 -0.47 -3.17 113.70 112.29 3n73 s SER 116 Ca 0.54 -0.71 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 3n73 s SER 116 Cb -0.10 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 3n73 s SER 116 CO 0.44 -0.16 1.51 -0.22 1.20 0.00 0.00 173.24 176.00 3n73 s LEU 117 N 1.56 4.25 0.09 3.45 0.20 -0.19 -0.71 118.68 127.33 3n73 s LEU 117 Ca 0.01 2.00 0.05 0.00 0.69 0.00 0.00 54.13 56.88 3n73 s LEU 117 Cb -0.15 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 3n73 s LEU 117 CO -0.08 -0.88 -0.13 0.68 -0.29 0.00 0.00 176.35 175.65 3n73 s VAL 118 N 3.90 1.13 0.19 1.68 -7.23 -0.13 -3.41 120.40 116.53 3n73 s VAL 118 Ca 0.66 -1.52 0.11 0.00 -1.81 0.00 0.00 61.98 59.42 3n73 s VAL 118 Cb -0.29 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 3n73 s VAL 118 CO 0.24 -0.37 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.00 3n73 s SER 119 N -2.14 3.21 0.85 4.85 0.01 -0.74 -1.97 113.70 117.78 3n73 s SER 119 Ca 0.03 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 3n73 s SER 119 Cb -0.07 -0.23 0.09 0.00 0.21 0.00 0.00 66.02 66.03 3n73 s SER 119 CO 0.02 0.07 1.09 -2.65 0.41 0.00 0.00 173.24 172.17 3n73 n PRO 120 N 0.20 -0.06 0.00 12.44 -0.02 -1.26 -1.17 135.00 145.13 3n73 n PRO 120 Ca -0.12 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3n73 n PRO 120 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3n73 n PRO 120 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3n73 n THR 121 N -3.58 0.00 -0.78 3.45 -2.24 -1.26 -4.60 114.28 105.27 3n73 n THR 121 Ca 0.12 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3n73 n THR 121 Cb 0.51 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3n73 n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n73 n GLY 122 N 0.32 0.81 2.88 3.38 0.00 -1.26 -5.01 105.19 106.30 3n73 n GLY 122 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3n73 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n73 s LYS 123 N -0.22 1.28 0.06 1.61 2.20 -1.26 -5.09 119.74 118.32 3n73 s LYS 123 Ca 0.00 -1.00 -0.31 0.00 -0.36 0.00 0.00 55.97 54.31 3n73 s LYS 123 Cb 0.00 -2.46 -0.08 0.00 -1.51 0.00 0.00 37.83 33.77 3n73 s LYS 123 CO 0.00 -0.71 1.71 0.08 -0.36 0.00 0.00 175.35 176.07 3n73 s VAL 124 N 1.46 3.01 0.00 4.02 1.01 -1.26 -1.82 120.40 126.82 3n73 s VAL 124 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3n73 s VAL 124 Cb -0.18 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3n73 s VAL 124 CO -0.10 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.60 3n73 n GLY 125 N 4.09 0.41 3.07 4.51 0.00 -1.26 -5.08 105.19 110.94 3n73 n GLY 125 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3n73 n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n73 s TYR 126 N -2.00 1.23 0.11 1.61 1.51 -0.76 -1.93 117.35 117.13 3n73 s TYR 126 Ca 0.00 -0.28 0.10 0.00 -1.01 0.00 0.00 57.07 55.88 3n73 s TYR 126 Cb 0.00 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 3n73 s TYR 126 CO 0.00 -0.07 -0.25 0.14 -1.11 0.00 0.00 175.55 174.26 3n73 s VAL 127 N -0.08 2.06 -0.34 0.71 -7.23 -0.09 -4.24 120.40 111.18 3n73 s VAL 127 Ca 0.01 -1.65 -0.22 0.00 -1.81 0.00 0.00 61.98 58.32 3n73 s VAL 127 Cb -0.08 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.04 3n73 s VAL 127 CO 0.00 0.07 0.69 0.21 -0.31 0.00 0.00 175.10 175.77 3n73 s ASN 128 N -1.92 6.50 0.00 4.85 2.47 -0.32 -1.41 114.94 125.12 3n73 s ASN 128 Ca 0.11 0.32 0.24 0.00 0.42 0.00 0.00 52.86 53.95 3n73 s ASN 128 Cb -0.10 -2.36 0.31 0.00 -1.45 0.00 0.00 41.25 37.66 3n73 s ASN 128 CO 0.05 -0.61 1.29 2.30 -3.72 0.00 0.00 177.10 176.41 3n73 n ILE 129 N 5.60 0.00 -1.20 -5.21 -5.35 -0.77 -1.79 119.36 110.64 3n73 n ILE 129 Ca 0.01 -0.20 -0.35 0.00 -0.27 0.00 0.00 62.75 61.93 3n73 n ILE 129 Cb 0.48 0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 39.25 3n73 n ILE 129 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3n73 n SER 130 N -0.29 6.25 -0.63 7.28 7.64 -1.26 -4.56 113.62 128.06 3n73 n SER 130 Ca 0.10 -2.56 0.06 0.00 1.01 0.00 0.00 58.87 57.48 3n73 n SER 130 Cb 0.42 -1.40 0.14 0.00 -1.01 0.00 0.00 64.21 62.36 3n73 n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3n73 n THR 131 N 4.25 0.90 -2.39 0.44 -2.24 -1.26 -2.53 114.28 111.45 3n73 n THR 131 Ca 0.62 -0.95 -0.25 0.00 -2.27 0.00 0.00 64.05 61.20 3n73 n THR 131 Cb 0.25 0.58 0.13 0.00 -2.10 0.00 0.00 70.33 69.18 3n73 n THR 131 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3n73 s GLY 132 N -0.99 1.76 0.09 3.38 0.00 -1.26 -4.73 107.32 105.56 3n73 s GLY 132 Ca 0.22 -1.54 -0.19 0.00 0.00 0.00 0.00 44.72 43.22 3n73 s GLY 132 CO 0.16 -0.93 1.54 -0.56 0.00 0.00 0.00 173.10 173.31 3n73 h PRO 133 N -0.82 0.41 -0.18 2.90 0.13 -1.94 0.21 132.00 132.71 3n73 h PRO 133 Ca -0.39 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 3n73 h PRO 133 Cb 1.26 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3n73 h PRO 133 CO 0.41 0.56 -0.34 0.82 -0.23 0.00 0.00 178.00 179.22 3n73 h ILE 134 N 0.20 1.34 -0.54 -3.56 2.04 -1.97 -3.07 117.51 111.95 3n73 h ILE 134 Ca 0.07 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.28 3n73 h ILE 134 Cb 0.36 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3n73 h ILE 134 CO 0.01 0.48 0.04 0.77 0.00 0.00 0.00 178.15 179.45 3n73 h SER 135 N 0.21 0.90 0.55 1.72 4.64 -1.84 -2.54 113.55 117.19 3n73 h SER 135 Ca 0.01 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3n73 h SER 135 Cb 0.93 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3n73 h SER 135 CO 0.08 0.97 0.00 0.00 -0.87 0.00 0.00 176.83 177.00 3n73 h ALA 136 N 0.97 1.00 -0.02 5.18 0.00 -0.28 -2.54 119.26 123.57 3n73 h ALA 136 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3n73 h ALA 136 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3n73 h ALA 136 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 3n73 n ALA 137 N -2.09 2.87 -1.59 0.00 0.00 -0.97 -4.94 120.51 113.80 3n73 n ALA 137 Ca -0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 3n73 n ALA 137 Cb 0.20 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.69 3n73 n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3n73 s GLY 138 N -2.23 1.64 0.05 0.00 0.00 -0.96 -5.00 107.32 100.82 3n73 s GLY 138 Ca 0.29 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 3n73 s GLY 138 CO 0.42 0.25 1.47 0.83 0.00 0.00 0.00 173.10 176.07 3n73 h GLU 139 N -0.94 0.19 -6.19 2.90 4.39 -1.92 -3.43 114.58 109.59 3n73 h GLU 139 Ca -0.46 -0.06 -0.58 0.00 0.34 0.00 0.00 59.36 58.60 3n73 h GLU 139 Cb 1.25 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 3n73 h GLU 139 CO 0.59 0.45 -0.56 -1.21 -1.16 0.00 0.00 179.01 177.12 3n73 s GLU 140 N -4.93 2.93 0.17 2.33 2.02 -1.26 -5.13 118.70 114.82 3n73 s GLU 140 Ca -0.14 -0.84 0.06 0.00 0.02 0.00 0.00 54.97 54.06 3n73 s GLU 140 Cb 0.05 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 3n73 s GLU 140 CO 0.70 0.49 0.10 0.15 0.02 0.00 0.00 175.26 176.72 3n73 s LYS 141 N -3.05 2.75 -0.45 1.61 -0.14 -1.26 -5.02 119.74 114.17 3n73 s LYS 141 Ca 0.31 -0.95 -0.29 0.00 -1.36 0.00 0.00 55.97 53.68 3n73 s LYS 141 Cb -0.10 -2.55 0.02 0.00 -1.68 0.00 0.00 37.83 33.52 3n73 s LYS 141 CO 0.24 0.47 1.27 0.00 -0.76 0.00 0.00 175.35 176.56 3n73 s ALA 142 N -1.76 3.10 -0.24 5.17 0.00 -1.26 -5.00 121.76 121.77 3n73 s ALA 142 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.94 3n73 s ALA 142 Cb -0.10 -3.92 0.04 0.00 0.00 0.00 0.00 23.12 19.14 3n73 s ALA 142 CO 0.22 -2.33 -0.11 0.42 0.00 0.00 0.00 175.76 173.96 3n73 s ILE 143 N 4.91 2.43 0.07 0.00 1.01 -1.26 -1.85 121.20 126.51 3n73 s ILE 143 Ca 0.54 -1.24 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3n73 s ILE 143 Cb -0.10 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3n73 s ILE 143 CO 0.32 0.19 -0.06 0.68 0.00 0.00 0.00 174.94 176.07 3n73 s VAL 144 N 1.23 0.54 0.34 2.92 -7.23 -0.50 -4.88 120.40 112.82 3n73 s VAL 144 Ca -0.02 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 3n73 s VAL 144 Cb -0.17 -1.34 -0.11 0.00 0.56 0.00 0.00 36.38 35.32 3n73 s VAL 144 CO -0.07 -0.77 1.46 -2.84 -0.31 0.00 0.00 175.10 172.58 3n73 s PRO 145 N -3.24 4.17 0.25 4.82 0.02 -1.26 -0.92 135.00 138.85 3n73 s PRO 145 Ca 0.05 2.48 -0.04 0.00 0.02 0.00 0.00 61.00 63.51 3n73 s PRO 145 Cb 0.02 -3.01 0.51 0.00 0.02 0.00 0.00 34.50 32.04 3n73 s PRO 145 CO -0.04 -0.47 1.67 0.82 -0.33 0.00 0.00 177.00 178.64 3n73 h ILE 146 N 3.10 0.45 -0.12 2.83 2.04 -1.74 -0.05 117.51 124.02 3n73 h ILE 146 Ca -0.49 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 3n73 h ILE 146 Cb 1.23 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3n73 h ILE 146 CO 0.68 0.04 -0.17 0.11 0.00 0.00 0.00 178.15 178.81 3n73 h LYS 147 N 0.24 0.19 -0.01 2.37 1.57 -1.89 -1.07 116.57 117.97 3n73 h LYS 147 Ca 0.44 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 59.06 3n73 h LYS 147 Cb 0.79 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3n73 h LYS 147 CO -0.56 0.37 -0.55 1.79 -0.57 0.00 0.00 179.45 179.92 3n73 h THR 148 N 0.18 1.40 -0.17 -0.16 1.35 -1.37 -1.99 112.91 112.15 3n73 h THR 148 Ca 0.04 -1.90 -0.09 0.00 -0.55 0.00 0.00 66.41 63.91 3n73 h THR 148 Cb 0.41 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3n73 h THR 148 CO 0.03 0.54 -0.23 0.00 -0.25 0.00 0.00 175.52 175.61 3n73 h ALA 149 N 1.42 0.25 -0.66 6.62 0.00 -1.00 -2.36 119.26 123.54 3n73 h ALA 149 Ca -0.00 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3n73 h ALA 149 Cb 0.99 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3n73 h ALA 149 CO 0.07 0.21 0.28 0.82 0.00 0.00 0.00 179.25 180.64 3n73 h ILE 150 N 0.09 0.79 -0.59 0.00 2.04 -1.11 -0.02 117.51 118.71 3n73 h ILE 150 Ca 0.02 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3n73 h ILE 150 Cb 0.80 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3n73 h ILE 150 CO 0.05 0.09 0.20 0.00 0.00 0.00 0.00 178.15 178.49 3n73 h ALA 151 N 1.44 0.77 -0.50 1.87 0.00 -1.29 -1.10 119.26 120.43 3n73 h ALA 151 Ca 0.33 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3n73 h ALA 151 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3n73 h ALA 151 CO -0.30 0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 179.19 3n73 h LEU 152 N 0.82 0.96 -0.50 0.00 3.38 -0.96 -1.52 115.31 117.49 3n73 h LEU 152 Ca 0.19 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3n73 h LEU 152 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3n73 h LEU 152 CO -0.01 1.09 0.29 0.58 0.09 0.00 0.00 178.44 180.48 3n73 h VAL 153 N 0.82 1.03 -0.72 1.22 2.07 -0.71 -2.54 116.25 117.42 3n73 h VAL 153 Ca 0.13 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3n73 h VAL 153 Cb 0.66 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3n73 h VAL 153 CO 0.05 0.10 0.46 0.03 0.02 0.00 0.00 177.57 178.23 3n73 h ARG 154 N 0.57 0.96 -1.98 1.57 3.08 -0.99 -0.59 114.38 117.00 3n73 h ARG 154 Ca 0.21 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3n73 h ARG 154 Cb 0.05 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3n73 h ARG 154 CO -0.11 0.66 0.00 -0.25 -1.07 0.00 0.00 179.97 179.20 3n73 n ASP 155 N -4.56 0.40 -0.45 7.04 8.00 -0.59 -4.36 116.55 122.02 3n73 n ASP 155 Ca 0.06 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3n73 n ASP 155 Cb 0.04 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 3n73 n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n73 n GLY 157 N 1.67 0.48 3.89 0.44 0.00 -0.83 -5.04 105.19 105.81 3n73 n GLY 157 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3n73 n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n73 s GLY 158 N -1.02 1.55 -0.01 -0.02 0.00 -0.29 -4.74 107.32 102.79 3n73 s GLY 158 Ca 0.01 -0.36 0.11 0.00 0.00 0.00 0.00 44.72 44.48 3n73 s GLY 158 CO 0.00 -0.16 0.35 0.70 0.00 0.00 0.00 173.10 173.99 3n73 n ASN 159 N -2.43 1.42 -3.59 1.64 4.13 0.21 -4.42 115.26 112.22 3n73 n ASN 159 Ca 0.02 -0.40 -0.09 0.00 1.68 0.00 0.00 54.58 55.79 3n73 n ASN 159 Cb 0.55 1.23 -0.02 0.00 -1.54 0.00 0.00 39.78 40.00 3n73 n ASN 159 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3n73 s SER 160 N -2.59 -0.39 -0.22 6.41 1.04 -1.24 -3.73 113.70 112.97 3n73 s SER 160 Ca 0.00 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 3n73 s SER 160 Cb 0.08 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 3n73 s SER 160 CO 0.45 -0.98 0.36 -0.76 0.98 0.00 0.00 173.24 173.29 3n73 s LEU 161 N -2.76 4.12 -0.42 2.42 1.43 -0.80 -1.37 118.68 121.28 3n73 s LEU 161 Ca 0.06 0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 53.33 3n73 s LEU 161 Cb -0.02 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.78 3n73 s LEU 161 CO -0.05 -0.09 0.80 -0.75 0.23 0.00 0.00 176.35 176.49 3n73 s LYS 162 N 1.48 3.54 -0.43 1.70 2.20 0.11 -0.57 119.74 127.77 3n73 s LYS 162 Ca 0.17 0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.67 3n73 s LYS 162 Cb -0.15 -3.89 0.03 0.00 -1.51 0.00 0.00 37.83 32.31 3n73 s LYS 162 CO 0.08 -1.04 0.43 -0.47 -0.36 0.00 0.00 175.35 173.99 3n73 s TYR 163 N 3.28 3.17 -0.22 4.03 5.04 -0.82 -0.95 117.35 130.89 3n73 s TYR 163 Ca 0.31 -0.44 -0.23 0.00 -2.44 0.00 0.00 57.07 54.27 3n73 s TYR 163 Cb -0.12 -2.92 0.06 0.00 0.35 0.00 0.00 41.96 39.33 3n73 s TYR 163 CO 0.21 -0.72 0.63 0.12 -1.34 0.00 0.00 175.55 174.46 3n73 s PHE 164 N 2.09 -0.68 0.06 4.97 5.36 -0.83 -1.84 117.98 127.10 3n73 s PHE 164 Ca 0.11 1.63 -0.00 0.00 -0.96 0.00 0.00 56.93 57.71 3n73 s PHE 164 Cb -0.18 0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.76 3n73 s PHE 164 CO 0.13 -0.36 0.08 -0.35 -1.46 0.00 0.00 175.22 173.25 3n73 n PRO 165 N 2.55 0.50 0.00 10.12 -0.04 -1.26 -3.86 135.00 143.00 3n73 n PRO 165 Ca -0.14 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 3n73 n PRO 165 Cb 0.56 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 3n73 n PRO 165 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3n73 n LYS 167 N -1.15 0.00 0.00 0.54 4.76 -0.97 -4.73 118.16 116.61 3n73 n LYS 167 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3n73 n LYS 167 Cb 0.04 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 3n73 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3n73 n GLY 168 N 0.00 3.58 1.25 0.72 0.00 -0.32 -2.00 105.19 108.42 3n73 n GLY 168 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3n73 n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n73 n LEU 169 N 0.00 3.66 0.06 0.99 4.77 -1.26 -4.53 117.00 120.69 3n73 n LEU 169 Ca 0.00 -1.77 0.16 0.00 -0.03 0.00 0.00 56.01 54.37 3n73 n LEU 169 Cb 0.00 -0.41 0.65 0.00 -2.33 0.00 0.00 43.42 41.33 3n73 n LEU 169 CO 0.00 0.89 1.15 0.00 -1.33 0.00 0.00 177.39 178.10 3n73 h ALA 170 N 4.34 2.30 -1.35 -1.18 0.00 -1.82 -2.29 119.26 119.25 3n73 h ALA 170 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 3n73 h ALA 170 Cb 0.94 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.34 3n73 h ALA 170 CO 0.00 -0.41 -0.56 0.72 0.00 0.00 0.00 179.25 179.00 3n73 n HIS 171 N -4.43 3.28 -0.18 0.00 8.25 -1.26 -4.88 115.22 115.99 3n73 n HIS 171 Ca 0.06 -2.92 -0.06 0.00 -0.26 0.00 0.00 57.72 54.55 3n73 n HIS 171 Cb 0.43 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.34 3n73 n HIS 171 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3n73 h GLU 172 N 2.55 0.65 -0.74 -0.41 4.81 -1.73 -0.98 114.58 118.73 3n73 h GLU 172 Ca 0.34 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 3n73 h GLU 172 Cb 0.93 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3n73 h GLU 172 CO 0.90 0.43 0.21 0.93 -0.73 0.00 0.00 179.01 180.75 3n73 h GLU 173 N 0.66 1.16 -0.51 1.92 5.08 -1.89 0.19 114.58 121.19 3n73 h GLU 173 Ca 0.21 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3n73 h GLU 173 Cb -0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3n73 h GLU 173 CO -0.08 1.00 0.01 0.93 -1.00 0.00 0.00 179.01 179.88 3n73 h GLU 174 N 1.11 0.90 -0.64 2.33 5.08 -1.87 -2.60 114.58 118.89 3n73 h GLU 174 Ca 0.24 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3n73 h GLU 174 Cb 0.33 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3n73 h GLU 174 CO -0.00 0.92 0.15 -0.92 -1.00 0.00 0.00 179.01 178.16 3n73 h TYR 175 N 0.77 1.06 -0.66 4.33 3.20 -0.58 -1.68 116.97 123.40 3n73 h TYR 175 Ca 0.15 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3n73 h TYR 175 Cb 0.50 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 3n73 h TYR 175 CO 0.04 0.87 0.40 0.00 -1.64 0.00 0.00 178.16 177.83 3n73 h ARG 176 N 0.97 0.74 -0.25 1.82 3.08 -0.52 -0.91 114.38 119.31 3n73 h ARG 176 Ca 0.21 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 3n73 h ARG 176 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3n73 h ARG 176 CO 0.00 0.49 -0.38 0.00 -1.07 0.00 0.00 179.97 179.01 3n73 h ALA 177 N 1.31 0.87 -0.42 0.04 0.00 -1.04 -1.96 119.26 118.05 3n73 h ALA 177 Ca 0.28 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3n73 h ALA 177 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3n73 h ALA 177 CO -0.13 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.26 3n73 h VAL 178 N 0.48 1.16 -0.53 0.00 2.07 -0.87 -1.08 116.25 117.48 3n73 h VAL 178 Ca 0.05 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3n73 h VAL 178 Cb 0.87 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3n73 h VAL 178 CO 0.07 0.17 0.31 0.00 0.02 0.00 0.00 177.57 178.15 3n73 h ALA 179 N 1.07 0.68 0.29 1.67 0.00 -1.07 -0.04 119.26 121.86 3n73 h ALA 179 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3n73 h ALA 179 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3n73 h ALA 179 CO -0.02 0.01 -0.21 -0.22 0.00 0.00 0.00 179.25 178.81 3n73 h LYS 180 N 0.62 -0.48 -0.63 0.00 3.64 -1.15 -1.05 116.57 117.52 3n73 h LYS 180 Ca 0.22 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3n73 h LYS 180 Cb 0.04 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3n73 h LYS 180 CO -0.11 -0.32 0.33 0.00 -2.27 0.00 0.00 179.45 177.09 3n73 h ALA 181 N 0.18 0.84 0.16 5.00 0.00 -1.07 -1.43 119.26 122.94 3n73 h ALA 181 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n73 h ALA 181 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3n73 h ALA 181 CO 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.16 3n73 h ALA 183 N 0.63 0.93 -0.13 0.00 0.00 -0.95 -0.28 119.26 119.46 3n73 h ALA 183 Ca -0.02 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3n73 h ALA 183 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3n73 h ALA 183 CO 0.04 -0.10 -0.34 0.93 0.00 0.00 0.00 179.25 179.77 3n73 h GLU 184 N 0.53 0.27 -0.12 0.00 5.08 -1.09 -2.84 114.58 116.41 3n73 h GLU 184 Ca 0.34 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3n73 h GLU 184 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3n73 h GLU 184 CO -0.29 0.58 0.00 0.39 -1.00 0.00 0.00 179.01 178.69 3n73 n GLU 185 N -4.08 1.77 -2.81 2.33 -0.58 -0.42 -4.94 120.64 111.91 3n73 n GLU 185 Ca -0.01 -1.15 -0.14 0.00 -0.42 0.00 0.00 57.16 55.44 3n73 n GLU 185 Cb 0.43 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 29.89 3n73 n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3n73 n GLY 186 N 1.18 -0.07 3.39 0.62 0.00 -0.27 -5.02 105.19 105.02 3n73 n GLY 186 Ca 0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3n73 n GLY 186 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n73 s PHE 187 N -2.98 2.31 0.46 1.61 5.36 -0.32 -5.02 117.98 119.41 3n73 s PHE 187 Ca 0.22 -0.38 -0.12 0.00 -0.96 0.00 0.00 56.93 55.70 3n73 s PHE 187 Cb -0.10 -1.24 -0.06 0.00 -0.34 0.00 0.00 43.02 41.28 3n73 s PHE 187 CO 0.27 0.35 0.85 0.00 -1.46 0.00 0.00 175.22 175.23 3n73 s ALA 188 N -1.10 3.26 -0.01 11.12 0.00 -1.24 -4.30 121.76 129.49 3n73 s ALA 188 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3n73 s ALA 188 Cb -0.10 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.20 3n73 s ALA 188 CO 0.06 -0.16 -0.01 -1.17 0.00 0.00 0.00 175.76 174.48 3n73 s LEU 189 N -4.11 1.73 -0.51 0.00 2.96 -0.88 -1.91 118.68 115.96 3n73 s LEU 189 Ca 0.53 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3n73 s LEU 189 Cb -0.10 -0.10 0.15 0.00 0.50 0.00 0.00 46.19 46.63 3n73 s LEU 189 CO 0.35 -0.02 0.31 -1.61 -1.32 0.00 0.00 176.35 174.06 3n73 s GLU 190 N 0.30 1.63 0.32 1.98 2.02 0.27 -1.24 118.70 123.97 3n73 s GLU 190 Ca -0.03 -2.43 -0.29 0.00 0.02 0.00 0.00 54.97 52.25 3n73 s GLU 190 Cb -0.05 -2.64 -0.10 0.00 0.10 0.00 0.00 34.13 31.44 3n73 s GLU 190 CO -0.01 -1.21 1.33 -1.25 0.02 0.00 0.00 175.26 174.14 3n73 s PRO 191 N -0.20 4.34 -0.15 0.39 0.04 -1.24 -1.94 135.00 136.24 3n73 s PRO 191 Ca 0.21 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 3n73 s PRO 191 Cb -0.17 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.34 3n73 s PRO 191 CO -0.06 -0.23 0.40 0.99 0.04 0.00 0.00 177.00 178.14 3n73 s THR 192 N -0.98 0.00 0.00 1.26 2.01 -0.77 -1.82 115.64 115.35 3n73 s THR 192 Ca 0.50 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.49 3n73 s THR 192 Cb -0.40 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.54 3n73 s THR 192 CO 0.52 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 3n73 n GLY 193 N 2.79 1.87 2.21 4.40 0.00 -1.26 -4.25 105.19 110.95 3n73 n GLY 193 Ca -0.13 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 3n73 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n73 n GLY 194 N 1.62 0.82 3.69 -0.02 0.00 -1.26 -1.18 105.19 108.86 3n73 n GLY 194 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 3n73 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n73 s ILE 195 N -2.31 5.06 0.37 -0.61 1.01 -1.26 -3.47 121.20 119.99 3n73 s ILE 195 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 60.65 61.89 3n73 s ILE 195 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 3n73 s ILE 195 CO 0.00 0.19 0.15 -0.90 0.00 0.00 0.00 174.94 174.38 3n73 n ASP 196 N 4.44 1.01 0.30 3.58 5.68 -1.26 -4.56 116.55 125.73 3n73 n ASP 196 Ca -0.03 -3.01 0.18 0.00 -0.50 0.00 0.00 54.79 51.43 3n73 n ASP 196 Cb 0.51 1.02 0.91 0.00 -1.14 0.00 0.00 41.12 42.41 3n73 n ASP 196 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3n73 h LYS 197 N 0.00 0.00 0.00 0.11 1.57 -1.96 -1.41 116.57 114.88 3n73 h LYS 197 Ca -0.29 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 3n73 h LYS 197 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3n73 h LYS 197 CO 0.45 0.04 -0.99 0.93 -0.57 0.00 0.00 179.45 179.31 3n73 h GLU 198 N 0.00 0.00 -0.01 3.15 3.07 -1.99 -3.36 114.58 115.44 3n73 h GLU 198 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3n73 h GLU 198 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3n73 h GLU 198 CO 0.01 0.04 -0.00 0.27 -1.40 0.00 0.00 179.01 177.93 3n73 n ASN 199 N -2.74 1.69 -0.06 1.42 0.23 -1.14 -4.74 115.26 109.92 3n73 n ASN 199 Ca -0.01 -1.35 -0.10 0.00 -0.53 0.00 0.00 54.58 52.60 3n73 n ASN 199 Cb 0.59 0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.27 3n73 n ASN 199 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3n73 h PHE 200 N 1.64 0.30 -0.58 -2.53 3.57 -1.40 -1.78 116.94 116.16 3n73 h PHE 200 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3n73 h PHE 200 Cb 0.35 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3n73 h PHE 200 CO 0.00 0.22 0.26 1.49 -2.23 0.00 0.00 178.31 178.05 3n73 h GLU 201 N 0.29 0.85 -0.36 1.11 4.81 -1.85 -2.40 114.58 117.03 3n73 h GLU 201 Ca 0.08 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3n73 h GLU 201 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3n73 h GLU 201 CO -0.02 0.71 0.14 1.15 -0.73 0.00 0.00 179.01 180.26 3n73 h THR 202 N 0.79 1.19 -0.41 0.32 2.02 -1.86 0.73 112.91 115.70 3n73 h THR 202 Ca 0.20 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3n73 h THR 202 Cb 0.15 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3n73 h THR 202 CO -0.02 0.21 0.21 0.40 0.37 0.00 0.00 175.52 176.68 3n73 h ILE 203 N 0.43 1.17 -0.27 3.11 2.04 -1.17 0.63 117.51 123.45 3n73 h ILE 203 Ca 0.12 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3n73 h ILE 203 Cb 0.19 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3n73 h ILE 203 CO -0.01 0.18 -0.04 0.58 0.00 0.00 0.00 178.15 178.86 3n73 h VAL 204 N 0.53 1.27 -0.88 1.67 2.07 -1.41 -3.16 116.25 116.34 3n73 h VAL 204 Ca 0.14 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3n73 h VAL 204 Cb 0.10 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 3n73 h VAL 204 CO -0.02 0.32 0.54 -0.09 0.02 0.00 0.00 177.57 178.35 3n73 h ARG 205 N 0.26 0.94 -0.63 1.57 2.43 -0.52 -1.21 114.38 117.22 3n73 h ARG 205 Ca 0.07 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3n73 h ARG 205 Cb 0.49 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 3n73 h ARG 205 CO 0.02 0.62 0.27 0.82 -1.51 0.00 0.00 179.97 180.19 3n73 h ILE 206 N 0.97 0.81 -0.10 1.20 2.04 -0.85 0.14 117.51 121.73 3n73 h ILE 206 Ca 0.39 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3n73 h ILE 206 Cb 0.23 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3n73 h ILE 206 CO -0.19 0.09 0.02 0.00 0.00 0.00 0.00 178.15 178.07 3n73 h ALA 207 N 1.41 0.13 -0.44 1.87 0.00 -1.36 -1.12 119.26 119.76 3n73 h ALA 207 Ca 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3n73 h ALA 207 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3n73 h ALA 207 CO -0.28 -0.23 0.27 -0.07 0.00 0.00 0.00 179.25 178.93 3n73 h LEU 208 N -0.05 0.53 -1.33 0.00 3.38 -0.82 -1.07 115.31 115.95 3n73 h LEU 208 Ca 0.03 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3n73 h LEU 208 Cb 0.25 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3n73 h LEU 208 CO 0.00 0.42 0.47 -0.33 0.09 0.00 0.00 178.44 179.10 3n73 h GLU 209 N 0.58 0.84 0.00 1.13 5.08 -0.60 0.13 114.58 121.75 3n73 h GLU 209 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3n73 h GLU 209 Cb -0.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3n73 h GLU 209 CO -0.03 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 3n73 h ALA 210 N 1.58 1.00 -1.18 3.43 0.00 -0.96 -3.47 119.26 119.66 3n73 h ALA 210 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3n73 h ALA 210 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3n73 h ALA 210 CO -0.08 0.00 -0.09 -1.71 0.00 0.00 0.00 179.25 177.37 3n73 n ASN 211 N -2.58 -2.25 -4.71 0.00 5.15 0.47 -4.74 115.26 106.59 3n73 n ASN 211 Ca 0.01 -0.05 -0.42 0.00 -0.60 0.00 0.00 54.58 53.52 3n73 n ASN 211 Cb 0.22 -1.14 -0.03 0.00 -0.53 0.00 0.00 39.78 38.30 3n73 n ASN 211 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3n73 s VAL 212 N -2.68 3.79 -0.08 3.44 1.01 -0.44 -4.63 120.40 120.81 3n73 s VAL 212 Ca 0.05 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 3n73 s VAL 212 Cb -0.02 -3.81 -0.17 0.00 0.00 0.00 0.00 36.38 32.38 3n73 s VAL 212 CO 0.06 0.08 0.79 -0.08 0.00 0.00 0.00 175.10 175.95 3n73 h GLU 213 N 6.99 -0.11 -5.09 2.72 4.81 -1.88 -3.42 114.58 118.60 3n73 h GLU 213 Ca -0.41 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.18 3n73 h GLU 213 Cb 1.20 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 30.36 3n73 h GLU 213 CO 0.84 0.43 -0.69 1.03 -0.73 0.00 0.00 179.01 179.89 3n73 s ARG 214 N -2.98 3.52 -0.07 1.92 0.52 -1.26 -4.28 118.95 116.31 3n73 s ARG 214 Ca -0.13 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 3n73 s ARG 214 Cb -0.00 -3.02 0.01 0.00 0.52 0.00 0.00 34.95 32.45 3n73 s ARG 214 CO 0.50 -0.04 -0.17 0.08 0.02 0.00 0.00 175.30 175.69 3n73 s VAL 215 N 1.11 1.48 -0.42 3.52 1.01 -0.41 -2.06 120.40 124.62 3n73 s VAL 215 Ca 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3n73 s VAL 215 Cb -0.15 -1.31 0.12 0.00 0.00 0.00 0.00 36.38 35.05 3n73 s VAL 215 CO 0.01 0.43 0.17 -0.63 0.00 0.00 0.00 175.10 175.08 3n73 s ILE 216 N 0.45 2.08 0.16 2.22 1.01 -0.37 -2.08 121.20 124.67 3n73 s ILE 216 Ca -0.14 -2.65 -0.30 0.00 0.00 0.00 0.00 60.65 57.56 3n73 s ILE 216 Cb -0.16 -2.49 -0.07 0.00 0.01 0.00 0.00 42.46 39.75 3n73 s ILE 216 CO 0.05 -0.74 1.06 -2.16 0.00 0.00 0.00 174.94 173.15 3n73 s PRO 217 N 0.42 4.63 -0.21 2.79 0.04 -1.22 -3.62 135.00 137.83 3n73 s PRO 217 Ca 0.14 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 3n73 s PRO 217 Cb -0.23 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 3n73 s PRO 217 CO -0.05 0.12 0.12 -1.01 0.04 0.00 0.00 177.00 176.21 3n73 s HIS 218 N -0.19 3.32 -0.21 0.56 3.76 -0.75 -1.48 115.29 120.29 3n73 s HIS 218 Ca 0.49 0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.58 3n73 s HIS 218 Cb -0.28 -2.17 0.06 0.00 1.11 0.00 0.00 32.58 31.30 3n73 s HIS 218 CO 0.33 0.16 0.00 0.08 -0.85 0.00 0.00 174.74 174.47 3n73 s VAL 219 N 0.61 0.93 0.00 -0.90 1.01 -0.67 -4.51 120.40 116.87 3n73 s VAL 219 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3n73 s VAL 219 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3n73 s VAL 219 CO 0.01 -0.19 0.00 -1.22 0.00 0.00 0.00 175.10 173.70 3n73 n TYR 220 N 4.89 0.00 0.27 5.22 4.01 -1.26 -4.27 117.16 126.01 3n73 n TYR 220 Ca -0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.78 3n73 n TYR 220 Cb 0.46 0.00 0.74 0.00 -0.31 0.00 0.00 39.34 40.23 3n73 n TYR 220 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3n73 h SER 221 N 0.00 0.00 -0.02 7.72 4.64 -1.95 -1.79 113.55 122.16 3n73 h SER 221 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n73 h SER 221 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3n73 h SER 221 CO 0.00 0.11 0.06 0.77 -0.87 0.00 0.00 176.83 176.90 3n73 h SER 222 N 0.00 0.00 -0.08 4.97 4.64 -1.92 -2.05 113.55 119.11 3n73 h SER 222 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n73 h SER 222 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3n73 h SER 222 CO 0.01 0.00 -0.00 2.30 -0.87 0.00 0.00 176.83 178.27 3n73 n ILE 223 N -3.22 2.02 -3.83 0.95 -5.35 -0.67 -4.83 119.36 104.42 3n73 n ILE 223 Ca -0.02 -2.16 -0.35 0.00 -0.27 0.00 0.00 62.75 59.94 3n73 n ILE 223 Cb 0.14 -0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 37.69 3n73 n ILE 223 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3n73 s ILE 224 N -2.87 5.02 -0.44 7.28 1.01 -0.77 -0.45 121.20 129.97 3n73 s ILE 224 Ca 0.35 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 3n73 s ILE 224 Cb 0.30 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.50 3n73 s ILE 224 CO 0.05 0.41 1.18 -0.62 0.00 0.00 0.00 174.94 175.96 3n73 s ASP 225 N 0.69 6.62 0.46 3.58 2.15 0.05 -4.92 116.67 125.31 3n73 s ASP 225 Ca 0.05 0.62 0.24 0.00 0.43 0.00 0.00 52.55 53.90 3n73 s ASP 225 Cb -0.13 -2.55 1.05 0.00 -0.30 0.00 0.00 42.92 40.99 3n73 s ASP 225 CO 0.01 -1.23 1.89 0.11 -0.17 0.00 0.00 175.17 175.78 3n73 h LYS 226 N 9.33 0.00 -0.91 4.34 1.57 -1.93 0.41 116.57 129.38 3n73 h LYS 226 Ca -0.24 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3n73 h LYS 226 Cb 1.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 3n73 h LYS 226 CO 1.11 0.21 0.57 1.49 -0.57 0.00 0.00 179.45 182.26 3n73 h GLU 227 N 0.00 1.01 0.00 3.15 4.81 -1.96 -3.26 114.58 118.32 3n73 h GLU 227 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3n73 h GLU 227 Cb 0.64 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3n73 h GLU 227 CO 0.03 0.67 -1.24 0.25 -0.73 0.00 0.00 179.01 177.98 3n73 n THR 228 N -4.58 0.00 -0.30 0.32 -2.24 -1.09 -4.99 114.28 101.39 3n73 n THR 228 Ca 0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3n73 n THR 228 Cb 0.19 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3n73 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n73 n GLY 229 N 1.88 2.38 3.74 3.38 0.00 0.14 -5.03 105.19 111.69 3n73 n GLY 229 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3n73 n GLY 229 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n73 s ASN 230 N -3.69 7.20 0.22 1.61 0.01 -1.22 -4.57 114.94 114.49 3n73 s ASN 230 Ca 0.00 2.15 -0.32 0.00 -0.71 0.00 0.00 52.86 53.98 3n73 s ASN 230 Cb 0.00 -2.61 -0.13 0.00 0.41 0.00 0.00 41.25 38.92 3n73 s ASN 230 CO 0.00 -0.28 1.53 0.41 -1.51 0.00 0.00 177.10 177.25 3n73 n THR 231 N 2.38 0.54 -2.51 1.60 -1.04 -1.26 -0.77 114.28 113.22 3n73 n THR 231 Ca 0.03 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 3n73 n THR 231 Cb 0.46 -1.63 -0.02 0.00 -1.82 0.00 0.00 70.33 67.31 3n73 n THR 231 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3n73 s LYS 232 N 0.19 4.32 0.15 -2.82 1.02 0.40 -4.87 119.74 118.13 3n73 s LYS 232 Ca 0.72 1.59 -0.14 0.00 0.02 0.00 0.00 55.97 58.16 3n73 s LYS 232 Cb -0.62 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.09 3n73 s LYS 232 CO 0.44 -0.52 1.68 0.28 -0.92 0.00 0.00 175.35 176.31 3n73 h VAL 233 N 5.20 1.22 -0.39 3.17 2.07 -1.91 -1.87 116.25 123.74 3n73 h VAL 233 Ca -0.30 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3n73 h VAL 233 Cb 1.13 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3n73 h VAL 233 CO 0.91 0.26 0.21 1.05 0.02 0.00 0.00 177.57 180.02 3n73 h GLU 234 N 0.63 0.52 -0.20 1.57 9.09 -1.99 -0.60 114.58 123.61 3n73 h GLU 234 Ca 0.16 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.47 3n73 h GLU 234 Cb 0.24 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 3n73 h GLU 234 CO -0.01 0.39 -0.04 -0.44 0.05 0.00 0.00 179.01 178.96 3n73 h ASP 235 N 0.53 0.39 -1.01 3.06 5.19 -1.84 -0.78 116.42 121.96 3n73 h ASP 235 Ca 0.14 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.21 3n73 h ASP 235 Cb 0.02 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.37 3n73 h ASP 235 CO -0.02 0.66 0.66 0.58 -3.12 0.00 0.00 179.24 178.00 3n73 h VAL 236 N 0.11 1.21 -0.14 -1.35 2.07 -0.85 0.13 116.25 117.42 3n73 h VAL 236 Ca 0.05 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3n73 h VAL 236 Cb 0.49 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3n73 h VAL 236 CO 0.02 0.24 0.09 0.03 0.02 0.00 0.00 177.57 177.97 3n73 h ARG 237 N 1.31 0.19 -0.81 1.57 3.08 -0.98 -1.61 114.38 117.14 3n73 h ARG 237 Ca 0.39 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.44 3n73 h ARG 237 Cb -0.06 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3n73 h ARG 237 CO -0.11 0.14 0.53 1.49 -1.07 0.00 0.00 179.97 180.95 3n73 h GLU 238 N 0.18 1.03 -0.73 0.04 4.81 -0.53 -1.46 114.58 117.93 3n73 h GLU 238 Ca 0.05 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3n73 h GLU 238 Cb -0.01 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 3n73 h GLU 238 CO -0.01 0.68 0.33 -0.07 -0.73 0.00 0.00 179.01 179.21 3n73 h LEU 239 N 1.06 0.97 -0.84 1.64 3.38 -0.55 -1.89 115.31 119.08 3n73 h LEU 239 Ca 0.30 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3n73 h LEU 239 Cb -0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 3n73 h LEU 239 CO -0.08 0.85 0.38 0.25 0.09 0.00 0.00 178.44 179.92 3n73 h LEU 240 N 1.03 1.12 -0.93 1.67 5.85 -1.02 0.25 115.31 123.27 3n73 h LEU 240 Ca 0.25 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3n73 h LEU 240 Cb 0.15 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3n73 h LEU 240 CO -0.03 0.96 0.37 0.00 -0.34 0.00 0.00 178.44 179.40 3n73 h ALA 241 N 1.20 1.16 -0.50 1.25 0.00 -0.86 0.34 119.26 121.86 3n73 h ALA 241 Ca 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3n73 h ALA 241 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3n73 h ALA 241 CO -0.03 0.63 -0.10 0.28 0.00 0.00 0.00 179.25 180.03 3n73 h VAL 242 N 1.12 1.26 -0.42 0.00 2.07 -0.81 -1.23 116.25 118.24 3n73 h VAL 242 Ca 0.27 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 3n73 h VAL 242 Cb 0.13 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3n73 h VAL 242 CO -0.03 0.42 0.12 0.58 0.02 0.00 0.00 177.57 178.68 3n73 h VAL 243 N 0.82 1.22 -0.05 2.57 2.07 -0.10 -2.08 116.25 120.70 3n73 h VAL 243 Ca 0.13 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3n73 h VAL 243 Cb 0.62 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3n73 h VAL 243 CO 0.04 0.27 0.01 0.11 0.02 0.00 0.00 177.57 178.02 3n73 h LYS 244 N 0.54 0.09 -0.89 1.57 1.57 -0.76 -0.11 116.57 118.58 3n73 h LYS 244 Ca 0.13 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 3n73 h LYS 244 Cb 0.28 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3n73 h LYS 244 CO -0.00 0.30 0.57 -0.22 -0.57 0.00 0.00 179.45 179.53 3n73 h LYS 245 N -0.15 0.80 0.16 3.15 1.63 -1.11 -0.09 116.57 120.97 3n73 h LYS 245 Ca 0.02 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3n73 h LYS 245 Cb 0.26 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3n73 h LYS 245 CO 0.00 0.53 -0.08 1.25 -3.45 0.00 0.00 179.45 177.70 3n73 h LEU 246 N 0.82 -0.18 -1.60 5.20 5.85 -1.11 -3.33 115.31 120.96 3n73 h LEU 246 Ca 0.42 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3n73 h LEU 246 Cb 0.51 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3n73 h LEU 246 CO -0.19 0.39 -0.15 0.58 -0.34 0.00 0.00 178.44 178.73 3n73 h VAL 247 N -0.94 1.14 0.00 1.05 2.07 -0.87 -2.40 116.25 116.29 3n73 h VAL 247 Ca -0.02 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3n73 h VAL 247 Cb 0.48 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3n73 h VAL 247 CO 0.04 0.18 0.00 0.47 0.02 0.00 0.00 177.57 178.28 3n73 n ASP 248 N -4.33 0.51 0.05 0.57 8.00 -0.06 -1.32 116.55 119.98 3n73 n ASP 248 Ca -0.02 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.28 3n73 n ASP 248 Cb 0.24 -0.76 0.42 0.00 -0.02 0.00 0.00 41.12 41.00 3n73 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n73 n GLN 249 N -2.10 0.14 -0.16 -1.24 6.02 -0.90 -3.89 117.38 115.25 3n73 n GLN 249 Ca 0.01 0.09 0.10 0.00 -0.01 0.00 0.00 57.00 57.19 3n73 n GLN 249 Cb 0.15 -1.64 0.18 0.00 1.02 0.00 0.00 30.24 29.95 3n73 n GLN 249 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3n73 n TYR 250 N -1.87 0.42 0.00 1.08 4.01 -0.43 -5.16 117.16 115.20 3n73 n TYR 250 Ca 0.06 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3n73 n TYR 250 Cb 0.39 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3n73 n TYR 250 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40