#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i41 s ASP 9 N 0.00 4.82 0.22 1.09 1.47 -1.26 -4.90 116.67 118.11 3i41 s ASP 9 Ca 0.00 1.77 0.11 0.00 1.18 0.00 0.00 52.55 55.60 3i41 s ASP 9 Cb 0.00 -2.51 -0.05 0.00 -0.34 0.00 0.00 42.92 40.02 3i41 s ASP 9 CO 0.00 -1.82 -0.20 -0.76 0.68 0.00 0.00 175.17 173.07 3i41 s LEU 10 N -5.74 2.51 -0.21 2.11 1.43 -1.26 -5.11 118.68 112.40 3i41 s LEU 10 Ca 0.60 -0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3i41 s LEU 10 Cb -0.16 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3i41 s LEU 10 CO 0.55 0.02 0.06 -0.54 0.23 0.00 0.00 176.35 176.67 3i41 s LYS 11 N -3.13 3.80 0.21 1.70 1.02 -1.26 -4.40 119.74 117.67 3i41 s LYS 11 Ca 0.23 -0.42 0.08 0.00 0.02 0.00 0.00 55.97 55.88 3i41 s LYS 11 Cb -0.05 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 3i41 s LYS 11 CO 0.11 0.04 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.93 3i41 s LEU 12 N 0.99 2.55 0.03 3.17 1.02 0.41 -0.56 118.68 126.29 3i41 s LEU 12 Ca 0.04 -1.02 0.06 0.00 0.02 0.00 0.00 54.13 53.23 3i41 s LEU 12 Cb -0.14 -0.67 -0.02 0.00 0.02 0.00 0.00 46.19 45.38 3i41 s LEU 12 CO 0.03 -0.18 -0.19 -0.69 0.02 0.00 0.00 176.35 175.34 3i41 s VAL 13 N -2.98 1.50 -0.06 -1.59 1.01 -0.60 -0.20 120.40 117.48 3i41 s VAL 13 Ca 0.23 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3i41 s VAL 13 Cb -0.01 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3i41 s VAL 13 CO 0.07 0.18 -0.21 -0.55 0.00 0.00 0.00 175.10 174.59 3i41 s SER 14 N -1.06 2.70 -0.09 3.32 0.15 -0.34 -0.70 113.70 117.68 3i41 s SER 14 Ca 0.06 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 3i41 s SER 14 Cb -0.08 -0.87 0.05 0.00 -1.71 0.00 0.00 66.02 63.40 3i41 s SER 14 CO 0.01 0.19 0.19 -2.28 1.20 0.00 0.00 173.24 172.54 3i41 s HIS 15 N 0.05 -0.24 -0.51 3.44 2.46 0.15 -0.94 115.29 119.70 3i41 s HIS 15 Ca -0.07 0.64 -0.29 0.00 0.47 0.00 0.00 55.06 55.81 3i41 s HIS 15 Cb -0.14 -0.10 0.03 0.00 -0.13 0.00 0.00 32.58 32.24 3i41 s HIS 15 CO 0.04 -0.23 1.22 1.21 -2.47 0.00 0.00 174.74 174.51 3i41 s ASN 16 N 1.63 6.48 0.00 9.88 3.84 -1.26 -1.08 114.94 134.43 3i41 s ASN 16 Ca -0.05 0.37 0.27 0.00 0.21 0.00 0.00 52.86 53.66 3i41 s ASN 16 Cb -0.11 -2.55 0.95 0.00 -0.55 0.00 0.00 41.25 38.98 3i41 s ASN 16 CO -0.07 -1.40 1.69 1.33 -2.79 0.00 0.00 177.10 175.86 3i41 n VAL 17 N 6.82 0.00 -3.66 -5.21 0.24 0.17 -4.32 118.33 112.37 3i41 n VAL 17 Ca 0.11 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.88 3i41 n VAL 17 Cb 0.49 0.55 0.04 0.00 -1.47 0.00 0.00 33.84 33.45 3i41 n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i41 n TYR 18 N 0.13 -1.94 -3.01 6.34 9.36 -1.26 -4.67 117.16 122.11 3i41 n TYR 18 Ca 0.18 0.56 -0.39 0.00 3.32 0.00 0.00 57.90 61.57 3i41 n TYR 18 Cb 0.37 -3.63 -0.01 0.00 -0.63 0.00 0.00 39.34 35.44 3i41 n TYR 18 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3i41 n MET 19 N -4.11 4.23 -0.97 2.98 2.81 0.41 -4.93 117.12 117.52 3i41 n MET 19 Ca -0.13 -4.62 -0.33 0.00 -1.81 0.00 0.00 57.70 50.81 3i41 n MET 19 Cb 0.61 -2.44 0.14 0.00 -0.71 0.00 0.00 33.22 30.82 3i41 n MET 19 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3i41 n LEU 20 N 0.86 4.00 -4.60 4.03 4.77 -1.26 -0.79 117.00 124.00 3i41 n LEU 20 Ca 0.31 0.53 -0.55 0.00 -0.03 0.00 0.00 56.01 56.28 3i41 n LEU 20 Cb 0.34 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 39.87 3i41 n LEU 20 CO 0.60 -1.88 0.93 -0.24 -1.33 0.00 0.00 177.39 175.48 3i41 n SER 21 N -3.51 1.48 0.00 -1.43 2.88 -1.26 -4.19 113.62 107.59 3i41 n SER 21 Ca 0.13 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.93 3i41 n SER 21 Cb 0.51 -1.13 0.67 0.00 -0.75 0.00 0.00 64.21 63.52 3i41 n SER 21 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3i41 n THR 22 N 2.75 0.07 -0.08 2.46 -2.24 -1.26 -0.55 114.28 115.44 3i41 n THR 22 Ca 0.20 0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.85 3i41 n THR 22 Cb 0.15 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 67.72 3i41 n THR 22 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3i41 h VAL 23 N 0.00 1.53 -0.36 2.28 2.07 -1.95 -3.03 116.25 116.79 3i41 h VAL 23 Ca 0.00 -2.26 -0.15 0.00 0.82 0.00 0.00 66.70 65.12 3i41 h VAL 23 Cb 0.35 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 3i41 h VAL 23 CO 0.00 0.52 -0.37 -0.07 0.02 0.00 0.00 177.57 177.67 3i41 h LEU 24 N -1.00 0.90 -6.23 2.57 4.07 -1.94 -3.37 115.31 110.31 3i41 h LEU 24 Ca -0.08 -0.40 -0.58 0.00 0.08 0.00 0.00 57.88 56.90 3i41 h LEU 24 Cb 1.03 -0.25 -0.40 0.00 1.08 0.00 0.00 40.66 42.11 3i41 h LEU 24 CO -0.05 1.17 -0.88 -1.22 -1.08 0.00 0.00 178.44 176.38 3i41 n TYR 25 N -4.06 1.12 0.25 1.13 4.01 0.29 -4.98 117.16 114.92 3i41 n TYR 25 Ca -0.02 -3.78 0.13 0.00 -0.16 0.00 0.00 57.90 54.08 3i41 n TYR 25 Cb 0.53 -0.34 0.65 0.00 -0.31 0.00 0.00 39.34 39.87 3i41 n TYR 25 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3i41 h PRO 26 N 4.45 0.00 -0.69 -0.72 0.11 -1.71 -3.24 132.00 130.21 3i41 h PRO 26 Ca 0.15 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.79 3i41 h PRO 26 Cb 0.81 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.49 3i41 h PRO 26 CO 0.59 0.00 -0.90 0.09 -0.21 0.00 0.00 178.00 177.57 3i41 n ASN 27 N -2.41 4.03 -1.42 -2.05 3.02 -1.26 -4.72 115.26 110.46 3i41 n ASN 27 Ca -0.01 -3.30 0.08 0.00 -0.03 0.00 0.00 54.58 51.33 3i41 n ASN 27 Cb 0.10 -0.38 0.33 0.00 -0.61 0.00 0.00 39.78 39.22 3i41 n ASN 27 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3i41 n TRP 28 N -0.67 1.42 -2.19 3.10 5.03 -1.22 -4.93 117.44 117.97 3i41 n TRP 28 Ca 0.34 -0.70 -0.16 0.00 3.03 0.00 0.00 57.50 60.02 3i41 n TRP 28 Cb 0.92 -0.31 -0.02 0.00 -1.03 0.00 0.00 31.31 30.87 3i41 n TRP 28 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3i41 n GLY 29 N 0.54 -0.04 0.27 6.99 0.00 -1.26 -4.93 105.19 106.75 3i41 n GLY 29 Ca 0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3i41 n GLY 29 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i41 h GLN 30 N 0.00 -0.29 -0.51 1.61 7.50 -1.91 0.12 115.11 121.62 3i41 h GLN 30 Ca -0.37 0.02 -0.06 0.00 0.50 0.00 0.00 58.65 58.74 3i41 h GLN 30 Cb 1.25 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.82 3i41 h GLN 30 CO 0.45 -0.19 0.08 1.88 -1.50 0.00 0.00 178.83 179.54 3i41 h TYR 31 N -0.30 0.90 -0.76 2.96 0.05 -1.91 -0.03 116.97 117.88 3i41 h TYR 31 Ca 0.10 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3i41 h TYR 31 Cb 0.45 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 3i41 h TYR 31 CO -0.33 0.82 0.46 0.87 -1.05 0.00 0.00 178.16 178.93 3i41 h LYS 32 N 0.73 0.83 -0.02 4.88 1.57 -1.81 -2.65 116.57 120.10 3i41 h LYS 32 Ca 0.16 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3i41 h LYS 32 Cb 0.40 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3i41 h LYS 32 CO 0.01 0.55 -0.72 0.00 -0.57 0.00 0.00 179.45 178.72 3i41 h ARG 33 N 0.85 0.11 -0.90 3.15 3.08 -0.38 -1.30 114.38 118.99 3i41 h ARG 33 Ca 0.33 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.31 3i41 h ARG 33 Cb 0.14 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 3i41 h ARG 33 CO -0.16 0.78 0.59 0.00 -1.07 0.00 0.00 179.97 180.11 3i41 h ALA 34 N 1.19 1.41 -0.16 0.04 0.00 -0.67 0.46 119.26 121.53 3i41 h ALA 34 Ca -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3i41 h ALA 34 Cb 1.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i41 h ALA 34 CO 0.10 0.52 -0.23 -0.44 0.00 0.00 0.00 179.25 179.20 3i41 h ASP 35 N 1.15 0.47 -0.68 0.00 3.32 -1.20 -2.23 116.42 117.24 3i41 h ASP 35 Ca 0.35 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3i41 h ASP 35 Cb -0.03 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3i41 h ASP 35 CO -0.10 0.90 0.22 -0.07 -1.72 0.00 0.00 179.24 178.47 3i41 h LEU 36 N 0.05 0.99 -0.47 1.55 3.38 -0.81 -1.20 115.31 118.80 3i41 h LEU 36 Ca 0.02 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3i41 h LEU 36 Cb 0.79 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3i41 h LEU 36 CO 0.05 0.93 0.29 0.40 0.09 0.00 0.00 178.44 180.20 3i41 h ILE 37 N 1.00 1.06 0.00 1.22 2.04 -0.14 -1.80 117.51 120.88 3i41 h ILE 37 Ca 0.22 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3i41 h ILE 37 Cb 0.29 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3i41 h ILE 37 CO -0.01 0.10 -0.03 1.23 0.00 0.00 0.00 178.15 179.44 3i41 h GLY 38 N 0.57 0.00 0.32 5.37 0.00 -0.79 -1.93 103.07 106.61 3i41 h GLY 38 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3i41 h GLY 38 CO -0.08 0.00 -0.29 -1.06 0.00 0.00 0.00 176.54 175.11 3i41 n GLN 39 N -4.26 0.74 -1.22 4.80 6.02 -0.51 -4.92 117.38 118.03 3i41 n GLN 39 Ca -0.03 -0.44 -0.30 0.00 -0.01 0.00 0.00 57.00 56.22 3i41 n GLN 39 Cb 0.12 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.01 3i41 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i41 s SER 40 N -2.56 3.78 -0.00 1.08 1.04 -0.73 -5.00 113.70 111.32 3i41 s SER 40 Ca 0.23 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 58.19 3i41 s SER 40 Cb 0.19 -2.27 -0.29 0.00 0.10 0.00 0.00 66.02 63.75 3i41 s SER 40 CO 0.54 -2.46 0.84 0.28 0.98 0.00 0.00 173.24 173.42 3i41 h SER 41 N -1.42 0.47 0.05 7.02 0.02 -1.92 -3.38 113.55 114.37 3i41 h SER 41 Ca -0.48 -0.63 -0.01 0.00 -0.84 0.00 0.00 61.79 59.83 3i41 h SER 41 Cb 1.27 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3i41 h SER 41 CO 0.54 1.53 -0.05 0.10 -1.14 0.00 0.00 176.83 177.81 3i41 h TYR 42 N 0.08 0.00 0.00 3.45 -0.00 -1.94 -0.85 116.97 117.71 3i41 h TYR 42 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 3i41 h TYR 42 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.77 3i41 h TYR 42 CO 0.07 0.05 0.00 0.44 -0.00 0.00 0.00 178.16 178.72 3i41 n ILE 43 N -4.44 0.57 -3.03 -0.90 -6.64 -1.26 -4.85 119.36 98.82 3i41 n ILE 43 Ca -0.03 -0.22 -0.24 0.00 -1.77 0.00 0.00 62.75 60.49 3i41 n ILE 43 Cb 0.13 -0.62 0.00 0.00 -1.44 0.00 0.00 39.64 37.71 3i41 n ILE 43 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 3i41 s LYS 44 N -3.11 3.29 -1.31 6.28 1.02 -0.33 -4.46 119.74 121.13 3i41 s LYS 44 Ca 0.10 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.81 3i41 s LYS 44 Cb 0.13 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 3i41 s LYS 44 CO 0.58 -0.14 0.00 0.09 -0.92 0.00 0.00 175.35 174.96 3i41 n ASN 45 N -2.04 -4.43 -4.90 2.83 3.02 -1.26 -5.01 115.26 103.47 3i41 n ASN 45 Ca -0.01 0.17 -0.25 0.00 -0.03 0.00 0.00 54.58 54.46 3i41 n ASN 45 Cb 0.57 -3.35 -0.01 0.00 -0.61 0.00 0.00 39.78 36.38 3i41 n ASN 45 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i41 s ASN 46 N -2.63 4.71 -0.17 6.41 0.01 -1.26 -5.01 114.94 117.00 3i41 s ASN 46 Ca 0.00 -1.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.02 3i41 s ASN 46 Cb 0.00 0.25 -0.22 0.00 0.41 0.00 0.00 41.25 41.68 3i41 s ASN 46 CO 0.00 -1.05 0.16 0.47 -1.51 0.00 0.00 177.10 175.17 3i41 n ASP 47 N -1.76 1.75 -3.81 -1.22 8.00 0.27 -4.78 116.55 114.99 3i41 n ASP 47 Ca 0.01 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 3i41 n ASP 47 Cb 0.64 -0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 3i41 n ASP 47 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i41 s VAL 48 N -2.54 0.00 -0.05 2.53 1.01 -1.10 -1.10 120.40 119.14 3i41 s VAL 48 Ca -0.24 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3i41 s VAL 48 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.21 3i41 s VAL 48 CO 0.72 -0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.98 3i41 s VAL 49 N 0.07 1.28 -0.18 2.92 1.01 -0.31 -1.55 120.40 123.64 3i41 s VAL 49 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3i41 s VAL 49 Cb -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3i41 s VAL 49 CO 0.00 0.38 0.01 -0.63 0.00 0.00 0.00 175.10 174.86 3i41 s ILE 50 N 0.32 4.22 -0.00 2.22 1.01 0.13 -1.13 121.20 127.97 3i41 s ILE 50 Ca -0.09 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3i41 s ILE 50 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3i41 s ILE 50 CO 0.03 0.45 -0.01 -0.36 0.00 0.00 0.00 174.94 175.06 3i41 s PHE 51 N 0.61 3.05 0.15 3.97 0.08 -0.46 -0.68 117.98 124.70 3i41 s PHE 51 Ca 0.00 0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.19 3i41 s PHE 51 Cb -0.14 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3i41 s PHE 51 CO 0.02 0.45 -0.16 -0.80 -0.10 0.00 0.00 175.22 174.63 3i41 s ASN 52 N -1.53 2.31 -1.50 1.36 0.01 -0.24 -2.26 114.94 113.09 3i41 s ASN 52 Ca 0.19 -0.86 -0.06 0.00 -0.71 0.00 0.00 52.86 51.42 3i41 s ASN 52 Cb -0.11 -0.11 0.01 0.00 0.41 0.00 0.00 41.25 41.45 3i41 s ASN 52 CO 0.10 -0.11 0.75 -0.62 -1.51 0.00 0.00 177.10 175.71 3i41 n GLU 53 N 0.33 -5.55 -2.53 -0.60 1.02 -0.77 -0.66 120.64 111.88 3i41 n GLU 53 Ca -0.14 0.85 -0.43 0.00 -0.02 0.00 0.00 57.16 57.42 3i41 n GLU 53 Cb 0.57 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.24 3i41 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i41 n ALA 54 N -3.94 4.80 -0.11 0.62 0.00 -0.13 -0.45 120.51 121.31 3i41 n ALA 54 Ca -0.07 -4.26 -0.25 0.00 0.00 0.00 0.00 53.44 48.86 3i41 n ALA 54 Cb 0.60 -3.04 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 3i41 n ALA 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i41 n PHE 55 N 4.68 0.45 -2.07 0.00 3.72 -0.74 -4.36 117.46 119.14 3i41 n PHE 55 Ca 0.39 0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 57.53 3i41 n PHE 55 Cb 0.39 -1.05 -0.03 0.00 -0.94 0.00 0.00 39.48 37.85 3i41 n PHE 55 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i41 s ASP 56 N -7.12 6.72 0.14 4.37 2.15 0.03 -4.73 116.67 118.23 3i41 s ASP 56 Ca -0.34 2.20 -0.18 0.00 0.43 0.00 0.00 52.55 54.67 3i41 s ASP 56 Cb 0.10 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.16 3i41 s ASP 56 CO 0.57 -0.86 1.78 0.78 -0.17 0.00 0.00 175.17 177.27 3i41 h ASN 57 N 8.87 0.28 -0.13 -0.34 2.35 -1.91 -0.30 115.58 124.40 3i41 h ASN 57 Ca -0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 3i41 h ASN 57 Cb 1.17 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 3i41 h ASN 57 CO 0.94 0.21 -0.03 1.23 -1.65 0.00 0.00 177.43 178.12 3i41 h GLY 58 N 0.35 0.28 1.35 2.83 0.00 -1.99 -0.10 103.07 105.80 3i41 h GLY 58 Ca 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3i41 h GLY 58 CO -0.05 0.21 -0.04 0.00 0.00 0.00 0.00 176.54 176.65 3i41 h ALA 59 N 0.70 1.06 -0.12 3.60 0.00 -1.92 -1.00 119.26 121.58 3i41 h ALA 59 Ca 0.03 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3i41 h ALA 59 Cb 0.45 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i41 h ALA 59 CO 0.01 0.58 -0.57 0.77 0.00 0.00 0.00 179.25 180.05 3i41 h SER 60 N 0.72 0.71 -0.37 0.00 0.02 -1.00 -1.22 113.55 112.41 3i41 h SER 60 Ca 0.13 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3i41 h SER 60 Cb 0.50 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3i41 h SER 60 CO 0.03 1.23 0.18 0.44 -1.14 0.00 0.00 176.83 177.56 3i41 h ASP 61 N 0.23 0.52 -0.20 3.07 3.32 -0.86 0.01 116.42 122.52 3i41 h ASP 61 Ca -0.04 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3i41 h ASP 61 Cb 1.21 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3i41 h ASP 61 CO 0.12 0.47 -0.16 0.11 -1.72 0.00 0.00 179.24 178.05 3i41 h LYS 62 N 0.58 0.46 -0.43 3.56 6.56 -0.98 -0.33 116.57 126.01 3i41 h LYS 62 Ca 0.15 -0.23 0.09 0.00 -1.06 0.00 0.00 60.65 59.59 3i41 h LYS 62 Cb 0.10 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.67 3i41 h LYS 62 CO -0.02 0.79 -0.14 1.25 -2.06 0.00 0.00 179.45 179.28 3i41 h LEU 63 N 0.14 -0.49 -0.80 2.94 5.85 -0.93 0.13 115.31 122.15 3i41 h LEU 63 Ca 0.04 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3i41 h LEU 63 Cb 0.69 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3i41 h LEU 63 CO 0.04 -0.17 0.33 -0.07 -0.34 0.00 0.00 178.44 178.23 3i41 h LEU 64 N -0.04 1.11 -1.27 2.25 3.38 -0.82 -1.42 115.31 118.49 3i41 h LEU 64 Ca 0.21 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3i41 h LEU 64 Cb 0.35 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i41 h LEU 64 CO -0.46 0.97 -0.28 0.77 0.09 0.00 0.00 178.44 179.53 3i41 h SER 65 N 1.17 0.13 0.86 -0.43 4.64 -0.58 -2.45 113.55 116.89 3i41 h SER 65 Ca 0.27 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3i41 h SER 65 Cb 0.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3i41 h SER 65 CO -0.02 0.42 0.00 0.78 -0.87 0.00 0.00 176.83 177.14 3i41 h ASN 66 N 0.12 0.00 -0.20 4.97 2.35 0.37 -2.67 115.58 120.51 3i41 h ASN 66 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i41 h ASN 66 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3i41 h ASN 66 CO 0.04 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.15 3i41 n VAL 67 N -2.98 0.82 0.09 2.81 0.24 -1.07 -4.72 118.33 113.52 3i41 n VAL 67 Ca 0.00 -0.91 -0.03 0.00 -2.04 0.00 0.00 64.34 61.36 3i41 n VAL 67 Cb 0.27 0.62 0.18 0.00 -1.47 0.00 0.00 33.84 33.44 3i41 n VAL 67 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3i41 h LYS 68 N 1.45 0.25 -0.42 7.34 3.64 -1.08 0.96 116.57 128.71 3i41 h LYS 68 Ca 0.00 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3i41 h LYS 68 Cb 0.60 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3i41 h LYS 68 CO 0.00 0.68 0.25 -0.22 -2.27 0.00 0.00 179.45 177.89 3i41 h LYS 69 N 0.20 0.49 0.06 1.90 3.64 -1.84 -2.17 116.57 118.85 3i41 h LYS 69 Ca 0.01 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 3i41 h LYS 69 Cb 0.93 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 3i41 h LYS 69 CO 0.08 0.32 -1.32 1.49 -2.27 0.00 0.00 179.45 177.75 3i41 h GLU 70 N 0.50 0.12 -2.85 1.90 4.81 -1.87 -3.39 114.58 113.80 3i41 h GLU 70 Ca 0.17 -0.20 -0.61 0.00 -0.13 0.00 0.00 59.36 58.58 3i41 h GLU 70 Cb 0.01 0.08 -0.42 0.00 0.63 0.00 0.00 28.75 29.05 3i41 h GLU 70 CO -0.08 0.98 -0.60 0.66 -0.73 0.00 0.00 179.01 179.25 3i41 n TYR 71 N -3.36 3.16 0.39 0.92 4.01 0.32 -4.33 117.16 118.26 3i41 n TYR 71 Ca -0.09 -4.24 0.14 0.00 -0.16 0.00 0.00 57.90 53.55 3i41 n TYR 71 Cb 1.00 -0.58 0.51 0.00 -0.31 0.00 0.00 39.34 39.97 3i41 n TYR 71 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3i41 h PRO 72 N 5.11 0.00 -4.69 -0.72 0.11 -1.19 -3.39 132.00 127.23 3i41 h PRO 72 Ca 0.16 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.59 3i41 h PRO 72 Cb 0.74 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.63 3i41 h PRO 72 CO 0.73 0.00 -0.52 0.71 -0.21 0.00 0.00 178.00 178.71 3i41 s TYR 73 N -3.37 3.21 0.02 0.65 2.02 -0.95 -4.99 117.35 113.94 3i41 s TYR 73 Ca 0.05 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 3i41 s TYR 73 Cb 0.09 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 3i41 s TYR 73 CO 0.48 -0.50 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.22 3i41 s GLN 74 N 1.62 0.61 0.47 -0.62 -0.21 -1.26 -0.56 119.66 119.72 3i41 s GLN 74 Ca 0.04 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 54.81 3i41 s GLN 74 Cb -0.18 -0.52 -0.04 0.00 1.00 0.00 0.00 33.01 33.27 3i41 s GLN 74 CO 0.07 0.12 0.76 0.95 -2.12 0.00 0.00 175.29 175.08 3i41 s THR 75 N -0.79 4.93 1.23 -0.19 -4.23 0.12 -5.01 115.64 111.69 3i41 s THR 75 Ca -0.03 0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.48 3i41 s THR 75 Cb -0.07 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.21 3i41 s THR 75 CO 0.00 -0.82 1.01 -2.84 -0.54 0.00 0.00 174.62 171.43 3i41 s PRO 76 N -4.69 -1.45 -0.07 3.99 0.02 -1.26 -4.62 135.00 126.92 3i41 s PRO 76 Ca 0.47 0.56 -0.24 0.00 0.02 0.00 0.00 61.00 61.81 3i41 s PRO 76 Cb -0.10 -1.51 -0.03 0.00 0.02 0.00 0.00 34.50 32.87 3i41 s PRO 76 CO 0.44 -4.00 0.74 0.08 -0.33 0.00 0.00 177.00 173.92 3i41 s VAL 77 N -2.48 5.01 -0.29 3.83 1.01 -1.26 -4.61 120.40 121.62 3i41 s VAL 77 Ca 0.68 1.51 -0.41 0.00 0.00 0.00 0.00 61.98 63.77 3i41 s VAL 77 Cb -0.21 -4.07 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 3i41 s VAL 77 CO 0.62 0.22 1.29 -0.11 0.00 0.00 0.00 175.10 177.12 3i41 n LEU 78 N 3.96 0.69 0.00 3.92 7.94 0.48 -2.41 117.00 131.58 3i41 n LEU 78 Ca -0.00 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3i41 n LEU 78 Cb 0.51 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.63 3i41 n LEU 78 CO 0.48 -1.16 0.00 0.61 -1.11 0.00 0.00 177.39 176.21 3i41 n GLY 79 N 2.82 0.81 0.08 -3.96 0.00 -1.26 -0.19 105.19 103.48 3i41 n GLY 79 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 3i41 n GLY 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i41 h ARG 80 N 3.61 0.07 -3.14 1.61 2.43 -1.85 -3.43 114.38 113.67 3i41 h ARG 80 Ca 0.00 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3i41 h ARG 80 Cb 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3i41 h ARG 80 CO 0.00 0.79 0.21 -1.54 -1.51 0.00 0.00 179.97 177.92 3i41 s SER 81 N -6.07 0.08 0.00 -3.80 1.04 -1.26 -5.03 113.70 98.66 3i41 s SER 81 Ca -0.17 -1.12 0.27 0.00 0.48 0.00 0.00 55.95 55.41 3i41 s SER 81 Cb 0.00 0.81 0.82 0.00 0.10 0.00 0.00 66.02 67.75 3i41 s SER 81 CO 0.70 -1.60 1.61 0.00 0.98 0.00 0.00 173.24 174.94 3i41 n GLN 82 N -0.52 0.54 -2.55 4.02 6.02 -1.26 -4.90 117.38 118.72 3i41 n GLN 82 Ca -0.07 -0.28 -0.38 0.00 -0.01 0.00 0.00 57.00 56.26 3i41 n GLN 82 Cb 0.60 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.32 3i41 n GLN 82 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3i41 s SER 83 N -2.65 7.10 0.00 1.08 0.01 -1.26 -3.79 113.70 114.18 3i41 s SER 83 Ca 0.21 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.58 3i41 s SER 83 Cb 0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.81 3i41 s SER 83 CO 0.56 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.57 3i41 n GLY 84 N 0.82 0.75 3.50 3.44 0.00 -1.26 -4.91 105.19 107.54 3i41 n GLY 84 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3i41 n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i41 s TRP 85 N -2.73 2.66 0.24 1.61 0.52 -1.25 -4.73 118.94 115.26 3i41 s TRP 85 Ca 0.00 -0.19 0.09 0.00 0.02 0.00 0.00 56.10 56.02 3i41 s TRP 85 Cb 0.00 -1.50 0.24 0.00 -1.15 0.00 0.00 33.47 31.07 3i41 s TRP 85 CO 0.00 0.30 1.55 -0.44 0.02 0.00 0.00 176.95 178.38 3i41 h ASP 86 N 4.44 0.03 -4.18 2.95 3.32 -1.19 -3.45 116.42 118.34 3i41 h ASP 86 Ca -0.48 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3i41 h ASP 86 Cb 1.16 -0.01 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 3i41 h ASP 86 CO 0.50 0.71 -0.06 -0.75 -1.72 0.00 0.00 179.24 177.92 3i41 s LYS 87 N -3.46 0.70 -0.12 3.56 2.20 -1.22 -5.04 119.74 116.35 3i41 s LYS 87 Ca -0.01 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 3i41 s LYS 87 Cb 0.12 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.77 3i41 s LYS 87 CO 0.78 -0.12 -0.15 0.99 -0.36 0.00 0.00 175.35 176.49 3i41 s THR 88 N -0.06 2.85 0.15 3.43 2.01 -1.26 -1.59 115.64 121.17 3i41 s THR 88 Ca -0.03 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3i41 s THR 88 Cb -0.03 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3i41 s THR 88 CO 0.02 0.53 0.14 -1.84 -0.69 0.00 0.00 174.62 172.78 3i41 n GLU 89 N 3.53 0.20 0.00 4.92 0.28 0.07 -4.99 120.64 124.65 3i41 n GLU 89 Ca -0.18 -1.53 0.00 0.00 -0.16 0.00 0.00 57.16 55.29 3i41 n GLU 89 Cb 0.53 1.27 0.00 0.00 1.43 0.00 0.00 31.44 34.67 3i41 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i41 n GLY 90 N -0.29 -1.27 2.30 -1.84 0.00 -1.26 -1.71 105.19 101.13 3i41 n GLY 90 Ca 0.03 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 3i41 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i41 n SER 91 N -0.51 7.55 -4.67 1.61 7.64 0.72 -4.74 113.62 121.22 3i41 n SER 91 Ca 0.00 -2.76 -0.42 0.00 1.01 0.00 0.00 58.87 56.70 3i41 n SER 91 Cb 0.00 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 61.73 3i41 n SER 91 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3i41 s TYR 92 N 0.67 2.14 -0.04 1.43 5.04 -1.26 -4.88 117.35 120.45 3i41 s TYR 92 Ca 0.64 0.27 0.06 0.00 -2.44 0.00 0.00 57.07 55.59 3i41 s TYR 92 Cb 0.24 -3.91 -0.02 0.00 0.35 0.00 0.00 41.96 38.62 3i41 s TYR 92 CO -0.07 -3.75 -0.20 0.45 -1.34 0.00 0.00 175.55 170.64 3i41 s SER 93 N 3.04 3.56 0.25 4.32 0.15 -1.26 -5.00 113.70 118.75 3i41 s SER 93 Ca 0.73 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.30 3i41 s SER 93 Cb -0.34 -0.63 0.59 0.00 -1.71 0.00 0.00 66.02 63.93 3i41 s SER 93 CO 0.30 0.33 1.63 0.28 1.20 0.00 0.00 173.24 176.98 3i41 h SER 94 N 5.45 0.00 -0.01 5.45 0.02 -1.95 -3.38 113.55 119.13 3i41 h SER 94 Ca -0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3i41 h SER 94 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3i41 h SER 94 CO 0.49 0.02 -0.68 0.35 -1.14 0.00 0.00 176.83 175.87 3i41 n THR 95 N -2.44 0.00 -2.17 -2.27 -2.24 -1.26 -4.96 114.28 98.94 3i41 n THR 95 Ca 0.05 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3i41 n THR 95 Cb 0.46 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 3i41 n THR 95 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i41 s VAL 96 N -2.66 4.36 -0.11 2.28 -7.23 -1.26 -4.98 120.40 110.79 3i41 s VAL 96 Ca 0.14 1.04 0.16 0.00 -1.81 0.00 0.00 61.98 61.51 3i41 s VAL 96 Cb 0.17 -3.64 0.08 0.00 0.56 0.00 0.00 36.38 33.55 3i41 s VAL 96 CO 0.68 -0.74 1.50 0.00 -0.31 0.00 0.00 175.10 176.23 3i41 h ALA 97 N 0.48 0.73 -4.05 1.32 0.00 -1.93 -3.46 119.26 112.34 3i41 h ALA 97 Ca -0.46 -0.43 -0.48 0.00 0.00 0.00 0.00 54.91 53.54 3i41 h ALA 97 Cb 1.20 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 3i41 h ALA 97 CO 0.60 0.59 -0.81 -2.00 0.00 0.00 0.00 179.25 177.63 3i41 s GLU 98 N -3.07 1.11 1.04 0.00 2.56 -1.20 -5.09 118.70 114.05 3i41 s GLU 98 Ca 0.03 -0.63 -0.18 0.00 0.00 0.00 0.00 54.97 54.19 3i41 s GLU 98 Cb 0.08 -1.10 0.24 0.00 2.00 0.00 0.00 34.13 35.35 3i41 s GLU 98 CO 0.73 0.29 1.31 0.16 -0.56 0.00 0.00 175.26 177.19 3i41 s ASP 99 N -0.68 2.39 0.18 -1.70 1.47 -1.26 -2.81 116.67 114.26 3i41 s ASP 99 Ca 0.04 0.22 0.25 0.00 1.18 0.00 0.00 52.55 54.25 3i41 s ASP 99 Cb -0.07 -0.20 0.66 0.00 -0.34 0.00 0.00 42.92 42.97 3i41 s ASP 99 CO 0.00 -3.18 1.62 0.61 0.68 0.00 0.00 175.17 174.90 3i41 n GLY 100 N -3.32 -1.60 2.38 2.12 0.00 0.74 -4.21 105.19 101.30 3i41 n GLY 100 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i41 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i41 n GLY 101 N 1.32 0.68 3.73 -0.02 0.00 -1.24 -4.60 105.19 105.06 3i41 n GLY 101 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3i41 n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i41 s VAL 102 N -2.72 5.10 0.04 1.61 1.01 -1.26 -0.95 120.40 123.23 3i41 s VAL 102 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3i41 s VAL 102 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 3i41 s VAL 102 CO 0.00 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.75 3i41 s ALA 103 N -0.14 -0.18 -0.04 5.51 0.00 -0.96 -0.39 121.76 125.56 3i41 s ALA 103 Ca 0.09 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.63 3i41 s ALA 103 Cb -0.12 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3i41 s ALA 103 CO 0.01 -0.35 -0.18 0.42 0.00 0.00 0.00 175.76 175.66 3i41 s ILE 104 N -2.69 1.45 0.16 0.00 1.01 -1.26 -1.36 121.20 118.51 3i41 s ILE 104 Ca -0.04 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 59.96 3i41 s ILE 104 Cb -0.01 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3i41 s ILE 104 CO -0.05 0.42 -0.20 0.68 0.00 0.00 0.00 174.94 175.79 3i41 s VAL 105 N -0.04 1.90 -0.02 2.92 -7.23 -0.28 -0.70 120.40 116.94 3i41 s VAL 105 Ca -0.02 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3i41 s VAL 105 Cb -0.11 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 35.01 3i41 s VAL 105 CO 0.02 -0.22 0.24 -0.55 -0.31 0.00 0.00 175.10 174.28 3i41 s SER 106 N -2.50 -0.13 0.42 4.85 0.15 0.28 -1.16 113.70 115.61 3i41 s SER 106 Ca 0.15 0.06 0.22 0.00 0.70 0.00 0.00 55.95 57.08 3i41 s SER 106 Cb -0.07 0.32 0.31 0.00 -1.71 0.00 0.00 66.02 64.86 3i41 s SER 106 CO 0.07 -0.36 1.58 0.50 1.20 0.00 0.00 173.24 176.23 3i41 h LYS 107 N 4.35 0.00 -6.49 5.44 3.64 -1.31 -2.49 116.57 119.71 3i41 h LYS 107 Ca -0.29 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.41 3i41 h LYS 107 Cb 1.19 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.83 3i41 h LYS 107 CO 0.39 0.05 -0.75 0.71 -2.27 0.00 0.00 179.45 177.58 3i41 s TYR 108 N -3.19 2.72 0.21 1.91 2.02 -1.26 -4.80 117.35 114.96 3i41 s TYR 108 Ca 0.07 -0.16 -0.32 0.00 -0.37 0.00 0.00 57.07 56.29 3i41 s TYR 108 Cb 0.05 -1.49 -0.14 0.00 -0.40 0.00 0.00 41.96 39.98 3i41 s TYR 108 CO 0.68 0.36 1.32 -2.30 -1.57 0.00 0.00 175.55 174.04 3i41 n PRO 109 N 1.20 1.69 -3.23 -1.71 -0.02 -1.26 -4.74 135.00 126.93 3i41 n PRO 109 Ca -0.15 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3i41 n PRO 109 Cb 0.52 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 3i41 n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i41 s ILE 110 N -0.06 5.04 -0.18 4.25 1.01 -1.26 -1.81 121.20 128.19 3i41 s ILE 110 Ca 0.71 0.72 0.19 0.00 0.00 0.00 0.00 60.65 62.26 3i41 s ILE 110 Cb -0.73 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 3i41 s ILE 110 CO 0.50 -0.02 1.00 0.50 0.00 0.00 0.00 174.94 176.92 3i41 h LYS 111 N 8.17 0.00 -2.15 2.79 3.11 -1.02 -3.47 116.57 124.00 3i41 h LYS 111 Ca -0.28 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.50 3i41 h LYS 111 Cb 1.13 0.00 -0.22 0.00 -1.00 0.00 0.00 32.23 32.15 3i41 h LYS 111 CO 0.74 0.19 0.06 -2.00 -2.81 0.00 0.00 179.45 175.63 3i41 s GLU 112 N -3.10 0.77 -0.11 1.90 2.12 -1.21 -4.97 118.70 114.11 3i41 s GLU 112 Ca -0.01 0.91 -0.05 0.00 0.36 0.00 0.00 54.97 56.17 3i41 s GLU 112 Cb 0.09 0.38 0.05 0.00 0.26 0.00 0.00 34.13 34.90 3i41 s GLU 112 CO 0.79 -0.09 0.25 -1.59 -0.54 0.00 0.00 175.26 174.07 3i41 s LYS 113 N 0.33 0.21 -0.02 4.30 -2.85 -1.26 -1.87 119.74 118.58 3i41 s LYS 113 Ca -0.00 0.53 0.02 0.00 -1.00 0.00 0.00 55.97 55.52 3i41 s LYS 113 Cb -0.05 -0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 3i41 s LYS 113 CO 0.01 -0.16 -0.06 0.42 0.10 0.00 0.00 175.35 175.66 3i41 s ILE 114 N 1.27 0.52 -0.02 3.79 1.01 -0.49 -0.56 121.20 126.73 3i41 s ILE 114 Ca -0.09 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3i41 s ILE 114 Cb -0.10 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 3i41 s ILE 114 CO -0.09 0.17 -0.12 0.00 0.00 0.00 0.00 174.94 174.90 3i41 s GLN 115 N 0.13 2.46 -0.14 2.79 -2.07 -0.62 -0.46 119.66 121.75 3i41 s GLN 115 Ca -0.01 -0.74 -0.02 0.00 -1.82 0.00 0.00 55.36 52.77 3i41 s GLN 115 Cb -0.06 -2.40 0.04 0.00 -1.09 0.00 0.00 33.01 29.50 3i41 s GLN 115 CO -0.00 0.61 0.00 -1.58 -1.32 0.00 0.00 175.29 173.00 3i41 s HIS 116 N -0.86 1.04 -0.16 9.60 2.46 -0.30 -0.75 115.29 126.31 3i41 s HIS 116 Ca 0.14 -0.64 -0.23 0.00 0.47 0.00 0.00 55.06 54.80 3i41 s HIS 116 Cb -0.11 -1.01 -0.02 0.00 -0.13 0.00 0.00 32.58 31.31 3i41 s HIS 116 CO 0.04 -0.50 0.72 0.08 -2.47 0.00 0.00 174.74 172.61 3i41 s VAL 117 N 1.85 4.97 0.24 0.89 1.01 -0.69 -0.67 120.40 128.00 3i41 s VAL 117 Ca 0.02 1.41 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 3i41 s VAL 117 Cb -0.15 -4.04 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 3i41 s VAL 117 CO -0.07 0.10 1.38 0.49 0.00 0.00 0.00 175.10 177.01 3i41 n PHE 118 N 4.88 2.09 0.08 5.22 3.72 0.27 -0.20 117.46 133.52 3i41 n PHE 118 Ca 0.01 0.46 -0.10 0.00 -0.05 0.00 0.00 57.45 57.76 3i41 n PHE 118 Cb 0.50 -2.44 -0.05 0.00 -0.94 0.00 0.00 39.48 36.54 3i41 n PHE 118 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3i41 h LYS 119 N 4.10 0.21 -6.23 -1.08 1.57 -1.94 -3.38 116.57 109.83 3i41 h LYS 119 Ca -0.45 -0.27 -0.57 0.00 -1.87 0.00 0.00 60.65 57.49 3i41 h LYS 119 Cb 1.28 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 3i41 h LYS 119 CO 0.75 1.03 -0.06 -1.12 -0.57 0.00 0.00 179.45 179.49 3i41 s SER 120 N -6.97 7.00 0.00 0.86 0.01 -1.26 -4.98 113.70 108.37 3i41 s SER 120 Ca -0.03 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.44 3i41 s SER 120 Cb 0.09 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3i41 s SER 120 CO 0.84 0.25 0.00 0.61 0.41 0.00 0.00 173.24 175.35 3i41 n GLY 121 N 1.57 -0.99 0.00 3.44 0.00 -1.26 -4.92 105.19 103.03 3i41 n GLY 121 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3i41 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i41 n GLY 123 N 4.79 -1.29 0.00 0.00 0.00 -1.26 -3.16 105.19 104.27 3i41 n GLY 123 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.56 3i41 n GLY 123 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i41 n PHE 124 N 0.00 0.00 1.32 1.61 3.72 -1.26 -4.64 117.46 118.20 3i41 n PHE 124 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 3i41 n PHE 124 Cb 0.00 -0.25 0.53 0.00 -0.94 0.00 0.00 39.48 38.83 3i41 n PHE 124 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3i41 n ASP 125 N -1.87 0.56 -0.36 4.37 8.00 -1.26 -3.42 116.55 122.57 3i41 n ASP 125 Ca -0.02 -0.55 0.09 0.00 0.71 0.00 0.00 54.79 55.02 3i41 n ASP 125 Cb 0.28 -0.03 0.26 0.00 -0.02 0.00 0.00 41.12 41.61 3i41 n ASP 125 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3i41 h ASN 126 N 0.62 0.89 -0.62 -2.24 7.08 -1.81 -2.47 115.58 117.03 3i41 h ASN 126 Ca 0.00 0.06 -0.39 0.00 -3.08 0.00 0.00 56.30 52.89 3i41 h ASN 126 Cb 0.41 -0.12 -0.19 0.00 -2.08 0.00 0.00 38.32 36.35 3i41 h ASN 126 CO 0.00 0.44 0.50 -0.67 -2.08 0.00 0.00 177.43 175.62 3i41 n ASP 127 N -4.65 5.59 -3.83 6.14 2.03 -1.22 -4.81 116.55 115.81 3i41 n ASP 127 Ca 0.20 -3.17 -0.15 0.00 0.52 0.00 0.00 54.79 52.18 3i41 n ASP 127 Cb 0.41 -0.92 -0.15 0.00 -0.72 0.00 0.00 41.12 39.74 3i41 n ASP 127 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i41 s SER 128 N -0.41 0.24 0.00 1.67 0.15 -0.93 -3.24 113.70 111.19 3i41 s SER 128 Ca 0.39 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 57.03 3i41 s SER 128 Cb 0.31 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 3i41 s SER 128 CO 0.02 -0.07 1.40 0.59 1.20 0.00 0.00 173.24 176.38 3i41 n ASN 129 N 3.82 3.56 -4.64 5.45 3.02 -1.12 -4.92 115.26 120.42 3i41 n ASN 129 Ca -0.23 -1.95 -0.39 0.00 -0.03 0.00 0.00 54.58 51.98 3i41 n ASN 129 Cb 0.53 -0.76 0.04 0.00 -0.61 0.00 0.00 39.78 38.98 3i41 n ASN 129 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i41 n LYS 130 N 1.72 1.20 0.00 3.52 5.02 -1.26 -3.50 118.16 124.87 3i41 n LYS 130 Ca 0.02 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3i41 n LYS 130 Cb 0.35 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 3i41 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i41 n GLY 131 N 1.13 -0.57 3.11 0.72 0.00 -1.26 -0.56 105.19 107.76 3i41 n GLY 131 Ca 0.12 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 3i41 n GLY 131 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i41 s PHE 132 N -4.00 0.68 -0.08 1.61 -0.71 0.16 -3.28 117.98 112.35 3i41 s PHE 132 Ca 0.00 -0.88 0.04 0.00 -1.04 0.00 0.00 56.93 55.06 3i41 s PHE 132 Cb 0.00 -0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.38 3i41 s PHE 132 CO 0.00 -0.22 -0.22 0.08 -1.34 0.00 0.00 175.22 173.52 3i41 s VAL 133 N -3.22 1.86 -0.11 -2.49 1.01 0.10 -1.15 120.40 116.40 3i41 s VAL 133 Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3i41 s VAL 133 Cb 0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3i41 s VAL 133 CO -0.05 0.52 -0.03 -0.47 0.00 0.00 0.00 175.10 175.06 3i41 s TYR 134 N 0.29 3.05 0.02 5.22 5.04 0.39 -0.73 117.35 130.63 3i41 s TYR 134 Ca -0.15 -0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.47 3i41 s TYR 134 Cb -0.16 -1.84 -0.01 0.00 0.35 0.00 0.00 41.96 40.29 3i41 s TYR 134 CO 0.07 0.24 -0.07 0.95 -1.34 0.00 0.00 175.55 175.40 3i41 s THR 135 N -0.38 0.50 -0.13 4.34 -4.23 -0.11 -1.39 115.64 114.24 3i41 s THR 135 Ca 0.06 -0.67 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3i41 s THR 135 Cb -0.12 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 3i41 s THR 135 CO 0.02 -0.13 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.09 3i41 s LYS 136 N -0.88 3.38 0.04 3.99 2.20 -0.78 -1.16 119.74 126.54 3i41 s LYS 136 Ca -0.04 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 54.97 3i41 s LYS 136 Cb -0.06 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 3i41 s LYS 136 CO 0.00 0.23 -0.19 0.42 -0.36 0.00 0.00 175.35 175.45 3i41 s ILE 137 N 0.31 1.56 -0.27 5.43 1.01 0.55 -0.31 121.20 129.49 3i41 s ILE 137 Ca -0.10 -1.16 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 3i41 s ILE 137 Cb -0.16 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 3i41 s ILE 137 CO 0.05 0.17 0.06 -0.70 0.00 0.00 0.00 174.94 174.52 3i41 s GLU 138 N -1.16 3.29 -0.11 2.79 2.12 -0.75 -1.27 118.70 123.61 3i41 s GLU 138 Ca 0.06 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.69 3i41 s GLU 138 Cb -0.09 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.01 3i41 s GLU 138 CO 0.02 -0.34 -0.15 0.21 -0.54 0.00 0.00 175.26 174.46 3i41 s LYS 139 N 1.53 2.21 -1.48 4.30 2.20 0.06 -4.05 119.74 124.50 3i41 s LYS 139 Ca 0.04 -0.55 -0.12 0.00 -0.36 0.00 0.00 55.97 54.97 3i41 s LYS 139 Cb -0.16 -1.90 0.06 0.00 -1.51 0.00 0.00 37.83 34.33 3i41 s LYS 139 CO 0.02 -0.08 1.05 0.09 -0.36 0.00 0.00 175.35 176.07 3i41 n ASN 140 N 4.26 -5.35 0.00 1.43 5.03 -1.26 -2.02 115.26 117.35 3i41 n ASN 140 Ca -0.19 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 54.56 3i41 n ASN 140 Cb 0.51 -4.24 0.00 0.00 -1.02 0.00 0.00 39.78 35.03 3i41 n ASN 140 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i41 n GLY 141 N -1.80 1.44 3.68 7.41 0.00 -1.26 -4.98 105.19 109.68 3i41 n GLY 141 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3i41 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i41 s LYS 142 N -0.13 2.16 0.11 1.61 1.02 -0.86 -5.10 119.74 118.55 3i41 s LYS 142 Ca 0.00 -1.78 0.05 0.00 0.02 0.00 0.00 55.97 54.26 3i41 s LYS 142 Cb 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3i41 s LYS 142 CO 0.00 0.04 0.02 -0.80 -0.92 0.00 0.00 175.35 173.69 3i41 s ASN 143 N -3.79 5.09 0.04 2.83 0.02 -1.26 -0.76 114.94 117.10 3i41 s ASN 143 Ca 0.37 -0.18 -0.11 0.00 -1.02 0.00 0.00 52.86 51.92 3i41 s ASN 143 Cb 0.02 -1.23 0.01 0.00 0.02 0.00 0.00 41.25 40.07 3i41 s ASN 143 CO 0.21 0.15 0.24 0.54 0.02 0.00 0.00 177.10 178.26 3i41 s VAL 144 N -1.41 0.10 -0.02 1.60 0.11 -0.39 -4.53 120.40 115.85 3i41 s VAL 144 Ca 0.27 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 3i41 s VAL 144 Cb -0.11 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3i41 s VAL 144 CO 0.19 -0.44 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.36 3i41 s HIS 145 N -2.50 1.46 -0.07 1.54 0.09 -0.60 -0.33 115.29 114.88 3i41 s HIS 145 Ca -0.05 -0.30 -0.00 0.00 -0.00 0.00 0.00 55.06 54.70 3i41 s HIS 145 Cb -0.01 -0.95 0.02 0.00 -0.00 0.00 0.00 32.58 31.64 3i41 s HIS 145 CO -0.03 -0.05 -0.04 0.08 -0.00 0.00 0.00 174.74 174.70 3i41 s VAL 146 N -0.29 0.64 -0.15 -0.90 1.01 -0.31 -0.64 120.40 119.77 3i41 s VAL 146 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3i41 s VAL 146 Cb -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3i41 s VAL 146 CO -0.00 0.28 -0.09 -0.63 0.00 0.00 0.00 175.10 174.67 3i41 s ILE 147 N 1.51 3.41 0.07 2.22 1.01 0.29 -0.93 121.20 128.77 3i41 s ILE 147 Ca -0.01 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.19 3i41 s ILE 147 Cb -0.13 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3i41 s ILE 147 CO -0.04 0.50 -0.18 -0.83 0.00 0.00 0.00 174.94 174.40 3i41 s GLY 148 N 0.44 1.62 0.24 6.18 0.00 0.09 -0.94 107.32 114.95 3i41 s GLY 148 Ca -0.07 -1.25 -0.16 0.00 0.00 0.00 0.00 44.72 43.25 3i41 s GLY 148 CO 0.04 -1.17 0.54 -1.08 0.00 0.00 0.00 173.10 171.43 3i41 s THR 149 N -1.01 0.01 -0.24 0.90 -1.32 -0.22 -0.72 115.64 113.03 3i41 s THR 149 Ca 0.16 -1.17 -0.05 0.00 -1.21 0.00 0.00 61.69 59.42 3i41 s THR 149 Cb -0.11 -2.01 0.13 0.00 -1.51 0.00 0.00 72.50 69.00 3i41 s THR 149 CO 0.07 -0.04 0.46 -2.28 -2.21 0.00 0.00 174.62 170.63 3i41 s HIS 150 N -3.96 -1.01 0.50 9.09 2.46 -1.21 -2.90 115.29 118.26 3i41 s HIS 150 Ca 0.17 1.42 0.08 0.00 0.47 0.00 0.00 55.06 57.19 3i41 s HIS 150 Cb -0.02 0.31 0.05 0.00 -0.13 0.00 0.00 32.58 32.79 3i41 s HIS 150 CO 0.06 -0.65 0.69 0.95 -2.47 0.00 0.00 174.74 173.31 3i41 s THR 151 N 2.67 2.59 -0.19 0.89 -4.23 -0.86 -4.23 115.64 112.27 3i41 s THR 151 Ca 0.07 -0.96 -0.41 0.00 -1.18 0.00 0.00 61.69 59.20 3i41 s THR 151 Cb -0.14 -2.63 -0.18 0.00 1.34 0.00 0.00 72.50 70.90 3i41 s THR 151 CO -0.16 0.00 1.50 1.67 -0.54 0.00 0.00 174.62 177.09 3i41 n GLN 152 N -2.08 0.70 -1.36 3.99 -0.06 -1.26 -4.81 117.38 112.50 3i41 n GLN 152 Ca 0.11 0.26 -0.30 0.00 -2.00 0.00 0.00 57.00 55.07 3i41 n GLN 152 Cb 0.60 -1.86 0.10 0.00 -4.06 0.00 0.00 30.24 25.02 3i41 n GLN 152 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3i41 s SER 153 N 2.07 4.33 -0.75 1.69 1.04 -1.26 -4.82 113.70 116.01 3i41 s SER 153 Ca 0.95 1.56 -0.26 0.00 0.48 0.00 0.00 55.95 58.69 3i41 s SER 153 Cb -1.17 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 62.61 3i41 s SER 153 CO 0.63 -2.10 1.98 -1.61 0.98 0.00 0.00 173.24 173.12 3i41 s GLU 154 N -5.00 2.48 -0.07 4.02 8.01 -1.26 -4.89 118.70 121.98 3i41 s GLU 154 Ca 0.61 0.26 -0.19 0.00 0.01 0.00 0.00 54.97 55.66 3i41 s GLU 154 Cb -0.16 -4.73 -0.05 0.00 -4.31 0.00 0.00 34.13 24.88 3i41 s GLU 154 CO 0.56 -3.19 0.52 0.34 0.01 0.00 0.00 175.26 173.50 3i41 s ASP 155 N 8.58 6.81 0.00 -0.19 -1.08 -1.26 -4.96 116.67 124.56 3i41 s ASP 155 Ca 0.73 0.96 0.30 0.00 -0.52 0.00 0.00 52.55 54.01 3i41 s ASP 155 Cb -0.10 -2.32 1.37 0.00 -1.46 0.00 0.00 42.92 40.41 3i41 s ASP 155 CO 0.11 0.05 1.98 -1.20 0.52 0.00 0.00 175.17 176.62 3i41 n SER 156 N 3.23 0.06 -0.12 -0.34 7.64 -1.26 -3.96 113.62 118.87 3i41 n SER 156 Ca -0.07 0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.58 3i41 n SER 156 Cb 0.51 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 3i41 n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i41 n ARG 157 N -1.33 0.50 -1.73 1.43 5.12 -1.26 -4.94 116.66 114.46 3i41 n ARG 157 Ca 0.12 0.22 -0.39 0.00 -1.93 0.00 0.00 57.85 55.87 3i41 n ARG 157 Cb 0.28 -1.35 0.04 0.00 -1.16 0.00 0.00 32.46 30.27 3i41 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i41 n GLY 159 N 0.80 -1.60 0.00 0.00 0.00 -1.26 -4.73 105.19 98.40 3i41 n GLY 159 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3i41 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i41 n ALA 160 N -2.60 -0.41 0.00 4.61 0.00 -1.26 -2.70 120.51 118.15 3i41 n ALA 160 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i41 n ALA 160 Cb 0.12 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3i41 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i41 n GLY 161 N -0.96 1.76 0.21 0.00 0.00 -1.26 -4.51 105.19 100.44 3i41 n GLY 161 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 3i41 n GLY 161 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i41 h HIS 162 N 0.00 0.78 -0.53 1.61 -0.00 -1.82 -2.40 115.15 112.79 3i41 h HIS 162 Ca 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3i41 h HIS 162 Cb 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 3i41 h HIS 162 CO 0.00 1.08 0.32 0.38 -0.00 0.00 0.00 177.93 179.71 3i41 h ASP 163 N 0.44 0.63 -0.41 2.45 -0.00 -1.77 0.26 116.42 118.01 3i41 h ASP 163 Ca -0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 56.96 3i41 h ASP 163 Cb 1.22 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 40.37 3i41 h ASP 163 CO 0.12 0.50 0.25 -0.09 -0.00 0.00 0.00 179.24 180.02 3i41 h ARG 164 N 0.71 0.56 -0.44 4.15 2.43 -1.82 0.40 114.38 120.37 3i41 h ARG 164 Ca 0.19 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3i41 h ARG 164 Cb -0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3i41 h ARG 164 CO -0.04 0.42 -0.06 0.87 -1.51 0.00 0.00 179.97 179.65 3i41 h LYS 165 N 0.54 0.76 0.44 0.20 1.57 -0.90 -1.50 116.57 117.68 3i41 h LYS 165 Ca 0.15 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3i41 h LYS 165 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3i41 h LYS 165 CO -0.03 0.81 -0.22 0.82 -0.57 0.00 0.00 179.45 180.26 3i41 h ILE 166 N 0.70 0.55 -0.50 1.86 2.04 -0.15 -2.31 117.51 119.70 3i41 h ILE 166 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 3i41 h ILE 166 Cb 0.52 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 3i41 h ILE 166 CO 0.03 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.29 3i41 h ARG 167 N -0.60 0.21 -0.39 2.37 3.08 -0.77 -1.24 114.38 117.04 3i41 h ARG 167 Ca -0.06 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.06 3i41 h ARG 167 Cb 0.47 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3i41 h ARG 167 CO 0.09 0.14 -0.16 0.00 -1.07 0.00 0.00 179.97 178.97 3i41 h ALA 168 N 1.40 0.15 -0.26 0.04 0.00 -1.16 0.11 119.26 119.53 3i41 h ALA 168 Ca 0.25 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 3i41 h ALA 168 Cb 0.35 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3i41 h ALA 168 CO -0.34 -0.53 -0.17 0.93 0.00 0.00 0.00 179.25 179.14 3i41 h GLU 169 N -0.09 0.45 -0.43 0.00 4.39 -0.92 -1.06 114.58 116.92 3i41 h GLU 169 Ca 0.19 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3i41 h GLU 169 Cb 0.38 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3i41 h GLU 169 CO -0.45 0.61 -0.31 1.96 -1.16 0.00 0.00 179.01 179.67 3i41 h GLN 170 N 0.41 0.96 -0.38 2.33 4.20 -0.63 -1.05 115.11 120.95 3i41 h GLN 170 Ca 0.07 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.23 3i41 h GLN 170 Cb 0.54 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3i41 h GLN 170 CO 0.04 1.13 -0.12 0.52 -0.67 0.00 0.00 178.83 179.72 3i41 h MET 171 N 0.80 0.67 -0.10 1.46 2.86 -0.54 -2.45 114.93 117.64 3i41 h MET 171 Ca 0.08 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3i41 h MET 171 Cb 0.90 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3i41 h MET 171 CO 0.08 0.77 -0.18 0.87 1.06 0.00 0.00 176.91 179.51 3i41 h LYS 172 N 0.61 0.16 -0.88 1.72 1.57 -0.92 -1.39 116.57 117.45 3i41 h LYS 172 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3i41 h LYS 172 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 3i41 h LYS 172 CO 0.04 0.35 0.51 0.93 -0.57 0.00 0.00 179.45 180.70 3i41 h GLU 173 N 0.15 1.21 -0.02 3.15 5.08 -0.73 0.17 114.58 123.60 3i41 h GLU 173 Ca 0.03 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3i41 h GLU 173 Cb 0.42 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i41 h GLU 173 CO 0.03 0.86 -0.02 0.82 -1.00 0.00 0.00 179.01 179.70 3i41 h ILE 174 N 1.22 1.40 -0.10 3.13 2.04 -1.14 -1.49 117.51 122.58 3i41 h ILE 174 Ca 0.31 -1.22 -0.12 0.00 1.00 0.00 0.00 64.86 64.84 3i41 h ILE 174 Cb -0.02 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3i41 h ILE 174 CO -0.06 0.32 -0.45 0.77 0.00 0.00 0.00 178.15 178.73 3i41 h SER 175 N -0.46 0.26 -0.36 1.72 4.64 -1.13 -1.08 113.55 117.15 3i41 h SER 175 Ca 0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3i41 h SER 175 Cb 0.53 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3i41 h SER 175 CO 0.00 0.68 0.15 0.44 -0.87 0.00 0.00 176.83 177.24 3i41 h ASP 176 N 0.20 0.49 -0.65 4.97 5.19 -0.66 -1.41 116.42 124.56 3i41 h ASP 176 Ca 0.01 -0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3i41 h ASP 176 Cb 0.88 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.21 3i41 h ASP 176 CO 0.07 0.51 0.33 0.15 -3.12 0.00 0.00 179.24 177.18 3i41 h PHE 177 N 0.43 0.60 -0.09 4.55 3.57 -0.75 -0.18 116.94 125.08 3i41 h PHE 177 Ca 0.12 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 3i41 h PHE 177 Cb 0.17 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3i41 h PHE 177 CO -0.01 0.25 0.05 0.28 -2.23 0.00 0.00 178.31 176.66 3i41 h VAL 178 N 0.60 1.08 -0.11 1.41 2.07 -0.95 -1.33 116.25 119.03 3i41 h VAL 178 Ca 0.30 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3i41 h VAL 178 Cb 0.25 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3i41 h VAL 178 CO -0.22 0.07 -0.00 0.11 0.02 0.00 0.00 177.57 177.55 3i41 h LYS 179 N 0.05 0.03 0.00 1.57 1.57 -1.02 -2.72 116.57 116.04 3i41 h LYS 179 Ca 0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3i41 h LYS 179 Cb 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3i41 h LYS 179 CO -0.00 0.02 -0.02 1.57 -0.57 0.00 0.00 179.45 180.45 3i41 h LYS 180 N 0.03 0.00 0.00 3.15 2.10 -0.88 -2.17 116.57 118.81 3i41 h LYS 180 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3i41 h LYS 180 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3i41 h LYS 180 CO -0.08 0.02 0.00 -0.22 -2.00 0.00 0.00 179.45 177.17 3i41 h LYS 181 N 0.00 0.00 -6.15 0.07 1.63 -0.91 -3.47 116.57 107.74 3i41 h LYS 181 Ca -0.00 0.00 -0.43 0.00 -0.85 0.00 0.00 60.65 59.37 3i41 h LYS 181 Cb 0.39 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.06 3i41 h LYS 181 CO 0.00 0.00 -0.84 -1.71 -3.45 0.00 0.00 179.45 173.45 3i41 n ASN 182 N -2.87 -1.03 -4.72 4.20 5.15 -0.82 -4.93 115.26 110.24 3i41 n ASN 182 Ca 0.03 -0.85 -0.42 0.00 -0.60 0.00 0.00 54.58 52.74 3i41 n ASN 182 Cb 0.39 -3.91 -0.03 0.00 -0.53 0.00 0.00 39.78 35.70 3i41 n ASN 182 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i41 s ILE 183 N -3.71 3.87 0.34 -1.44 1.01 -1.26 -4.96 121.20 115.05 3i41 s ILE 183 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 60.65 61.80 3i41 s ILE 183 Cb -0.00 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 3i41 s ILE 183 CO 0.82 0.17 1.53 -2.16 0.00 0.00 0.00 174.94 175.30 3i41 s PRO 184 N 0.49 4.11 0.00 2.79 0.04 -1.26 -4.86 135.00 136.31 3i41 s PRO 184 Ca 0.56 2.58 0.16 0.00 0.04 0.00 0.00 61.00 64.34 3i41 s PRO 184 Cb -0.30 -2.99 0.84 0.00 0.04 0.00 0.00 34.50 32.09 3i41 s PRO 184 CO 0.32 -0.58 1.45 0.36 0.04 0.00 0.00 177.00 178.60 3i41 n LYS 185 N 1.16 0.28 -0.26 4.56 2.85 -1.26 -1.80 118.16 123.68 3i41 n LYS 185 Ca 0.04 0.11 0.04 0.00 -1.05 0.00 0.00 58.31 57.46 3i41 n LYS 185 Cb 0.38 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.42 3i41 n LYS 185 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3i41 n ASP 186 N -1.24 2.32 -4.14 -5.58 5.75 -1.26 -0.43 116.55 111.97 3i41 n ASP 186 Ca 0.08 -2.17 -0.24 0.00 -0.01 0.00 0.00 54.79 52.45 3i41 n ASP 186 Cb 0.12 -0.37 -0.15 0.00 -1.03 0.00 0.00 41.12 39.68 3i41 n ASP 186 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3i41 s GLU 187 N -1.65 1.44 0.27 0.11 2.02 -0.74 -4.76 118.70 115.38 3i41 s GLU 187 Ca 0.23 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.36 3i41 s GLU 187 Cb 0.14 -1.35 -0.09 0.00 0.10 0.00 0.00 34.13 32.93 3i41 s GLU 187 CO 0.12 0.33 0.91 0.99 0.02 0.00 0.00 175.26 177.63 3i41 s THR 188 N -0.27 4.20 -0.27 3.63 2.01 -1.26 -3.68 115.64 119.99 3i41 s THR 188 Ca 0.04 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.94 3i41 s THR 188 Cb -0.08 -4.13 0.07 0.00 0.01 0.00 0.00 72.50 68.37 3i41 s THR 188 CO 0.00 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.51 3i41 s VAL 189 N -1.40 1.95 0.22 3.82 1.01 -1.26 -1.55 120.40 123.19 3i41 s VAL 189 Ca 0.45 -1.67 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 3i41 s VAL 189 Cb -0.22 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 3i41 s VAL 189 CO 0.27 -0.21 0.72 -0.31 0.00 0.00 0.00 175.10 175.57 3i41 s TYR 190 N 1.16 3.65 -0.08 5.22 2.02 0.19 -0.79 117.35 128.72 3i41 s TYR 190 Ca -0.03 1.38 -0.02 0.00 -0.37 0.00 0.00 57.07 58.04 3i41 s TYR 190 Cb -0.19 -2.61 0.03 0.00 -0.40 0.00 0.00 41.96 38.78 3i41 s TYR 190 CO -0.07 0.34 0.02 0.42 -1.57 0.00 0.00 175.55 174.69 3i41 s ILE 191 N -1.52 0.28 0.11 2.71 1.01 0.12 -0.55 121.20 123.37 3i41 s ILE 191 Ca 0.43 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 61.07 3i41 s ILE 191 Cb -0.17 -0.50 0.02 0.00 0.01 0.00 0.00 42.46 41.83 3i41 s ILE 191 CO 0.21 0.20 0.34 -0.83 0.00 0.00 0.00 174.94 174.86 3i41 s GLY 192 N 2.01 -0.17 0.00 6.18 0.00 -0.12 -0.59 107.32 114.63 3i41 s GLY 192 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.56 3i41 s GLY 192 CO -0.05 -0.44 0.00 0.61 0.00 0.00 0.00 173.10 173.22 3i41 n GLY 193 N -0.17 0.66 3.47 0.20 0.00 -0.10 -1.06 105.19 108.19 3i41 n GLY 193 Ca -0.16 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 3i41 n GLY 193 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i41 s ASP 194 N -4.00 6.22 0.00 1.61 -1.08 -1.14 -1.49 116.67 116.78 3i41 s ASP 194 Ca 0.00 -0.80 0.24 0.00 -0.52 0.00 0.00 52.55 51.47 3i41 s ASP 194 Cb 0.00 -2.42 0.30 0.00 -1.46 0.00 0.00 42.92 39.33 3i41 s ASP 194 CO 0.00 -1.38 1.27 0.18 0.52 0.00 0.00 175.17 175.76 3i41 n LEU 195 N 7.64 0.90 -2.49 -1.34 4.77 -0.38 -2.04 117.00 124.06 3i41 n LEU 195 Ca -0.02 -0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 3i41 n LEU 195 Cb 0.46 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3i41 n LEU 195 CO 0.64 0.20 -0.19 0.59 -1.33 0.00 0.00 177.39 177.30 3i41 n ASN 196 N -1.18 -4.79 -4.27 -1.43 3.02 -1.06 -4.70 115.26 100.86 3i41 n ASN 196 Ca 0.07 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.35 3i41 n ASN 196 Cb 0.35 -4.02 -0.15 0.00 -0.61 0.00 0.00 39.78 35.35 3i41 n ASN 196 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i41 s VAL 197 N -2.82 2.68 0.10 2.41 1.01 -1.26 -4.78 120.40 117.73 3i41 s VAL 197 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3i41 s VAL 197 Cb -0.02 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 3i41 s VAL 197 CO 0.04 0.51 1.00 0.21 0.00 0.00 0.00 175.10 176.87 3i41 s ASN 198 N 0.82 7.42 0.60 3.32 2.47 -1.26 -4.35 114.94 123.96 3i41 s ASN 198 Ca -0.05 1.83 -0.19 0.00 0.42 0.00 0.00 52.86 54.87 3i41 s ASN 198 Cb -0.15 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 3i41 s ASN 198 CO -0.00 -0.15 1.14 1.17 -3.72 0.00 0.00 177.10 175.54 3i41 n LYS 199 N 2.97 1.11 -1.08 0.43 4.81 -1.02 -3.32 118.16 122.05 3i41 n LYS 199 Ca 0.03 0.43 -0.03 0.00 -0.87 0.00 0.00 58.31 57.87 3i41 n LYS 199 Cb 0.49 -2.35 -0.01 0.00 0.02 0.00 0.00 35.03 33.18 3i41 n LYS 199 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i41 n GLY 200 N 1.08 0.58 3.75 3.14 0.00 -1.26 -4.91 105.19 107.57 3i41 n GLY 200 Ca 0.14 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3i41 n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i41 s THR 201 N -1.95 3.93 0.42 2.61 -4.23 -1.21 -5.02 115.64 110.19 3i41 s THR 201 Ca 0.00 -1.63 0.16 0.00 -1.18 0.00 0.00 61.69 59.04 3i41 s THR 201 Cb 0.00 -3.14 0.37 0.00 1.34 0.00 0.00 72.50 71.06 3i41 s THR 201 CO 0.00 -0.35 1.89 -0.65 -0.54 0.00 0.00 174.62 174.97 3i41 h PRO 202 N 1.65 0.41 0.00 3.99 0.11 -1.96 -2.05 132.00 134.15 3i41 h PRO 202 Ca -0.46 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3i41 h PRO 202 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3i41 h PRO 202 CO 0.61 0.27 -0.33 1.49 -0.21 0.00 0.00 178.00 179.82 3i41 h GLU 203 N 0.42 0.00 -0.41 1.05 4.81 -1.95 -2.98 114.58 115.51 3i41 h GLU 203 Ca 0.41 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.69 3i41 h GLU 203 Cb 0.98 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 3i41 h GLU 203 CO -0.14 0.33 0.16 0.35 -0.73 0.00 0.00 179.01 178.98 3i41 h PHE 204 N 0.00 0.28 -0.75 0.92 3.57 -1.56 -0.14 116.94 119.26 3i41 h PHE 204 Ca -0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3i41 h PHE 204 Cb 0.61 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 3i41 h PHE 204 CO 0.00 0.12 0.46 0.87 -2.23 0.00 0.00 178.31 177.52 3i41 h LYS 205 N 0.33 0.83 -0.81 1.11 6.56 -1.61 -1.89 116.57 121.09 3i41 h LYS 205 Ca 0.19 -0.05 0.06 0.00 -1.06 0.00 0.00 60.65 59.79 3i41 h LYS 205 Cb 0.16 -0.19 -0.06 0.00 -0.57 0.00 0.00 32.23 31.57 3i41 h LYS 205 CO -0.18 0.55 0.49 -0.44 -2.06 0.00 0.00 179.45 177.81 3i41 h ASP 206 N 0.86 0.76 -0.31 0.86 3.32 -1.29 -2.58 116.42 118.04 3i41 h ASP 206 Ca 0.32 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3i41 h ASP 206 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3i41 h ASP 206 CO -0.15 0.49 0.18 -0.03 -1.72 0.00 0.00 179.24 178.00 3i41 h MET 207 N 0.90 0.42 -0.84 3.56 1.85 -0.28 0.19 114.93 120.74 3i41 h MET 207 Ca 0.36 -0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.46 3i41 h MET 207 Cb 0.19 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.07 3i41 h MET 207 CO -0.18 0.34 0.52 -0.07 -0.40 0.00 0.00 176.91 177.12 3i41 h LEU 208 N 0.39 0.83 -0.05 3.39 3.38 -1.25 0.13 115.31 122.13 3i41 h LEU 208 Ca 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3i41 h LEU 208 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3i41 h LEU 208 CO -0.02 0.54 -0.04 0.11 0.09 0.00 0.00 178.44 179.13 3i41 h LYS 209 N 0.97 0.11 -0.47 1.13 6.56 -1.05 -1.22 116.57 122.60 3i41 h LYS 209 Ca 0.36 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.84 3i41 h LYS 209 Cb 0.13 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 3i41 h LYS 209 CO -0.16 0.53 0.06 -0.91 -2.06 0.00 0.00 179.45 176.92 3i41 h ASN 210 N -0.31 0.69 1.22 0.86 2.35 -0.34 -2.46 115.58 117.60 3i41 h ASN 210 Ca 0.01 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3i41 h ASN 210 Cb 0.51 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3i41 h ASN 210 CO 0.01 0.72 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.10 3i41 h LEU 211 N 0.70 0.00 -1.64 1.61 3.38 -0.84 -3.36 115.31 115.16 3i41 h LEU 211 Ca 0.15 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.76 3i41 h LEU 211 Cb 0.34 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.22 3i41 h LEU 211 CO 0.01 0.05 -0.59 -3.20 0.09 0.00 0.00 178.44 174.80 3i41 n ASN 212 N -2.30 -2.38 -4.28 -0.43 5.15 -0.55 -4.70 115.26 105.78 3i41 n ASN 212 Ca 0.04 -0.47 -0.22 0.00 -0.60 0.00 0.00 54.58 53.33 3i41 n ASN 212 Cb 0.45 -4.06 -0.12 0.00 -0.53 0.00 0.00 39.78 35.52 3i41 n ASN 212 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i41 s VAL 213 N -3.27 1.61 0.38 3.44 -7.23 -0.68 -0.35 120.40 114.30 3i41 s VAL 213 Ca 0.05 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 3i41 s VAL 213 Cb -0.02 -1.58 -0.08 0.00 0.56 0.00 0.00 36.38 35.25 3i41 s VAL 213 CO 0.56 -0.22 0.80 0.20 -0.31 0.00 0.00 175.10 176.14 3i41 s ASN 214 N -2.21 6.70 1.01 4.85 0.02 -1.22 -4.70 114.94 119.39 3i41 s ASN 214 Ca 0.09 1.33 -0.12 0.00 -1.02 0.00 0.00 52.86 53.13 3i41 s ASN 214 Cb -0.08 -2.40 0.20 0.00 0.02 0.00 0.00 41.25 38.99 3i41 s ASN 214 CO 0.04 -0.33 1.09 -0.62 0.02 0.00 0.00 177.10 177.31 3i41 s ASP 215 N -2.61 2.47 0.39 -1.22 -1.08 -1.26 -4.63 116.67 108.73 3i41 s ASP 215 Ca 0.55 1.19 0.04 0.00 -0.52 0.00 0.00 52.55 53.81 3i41 s ASP 215 Cb -0.10 -1.86 -0.04 0.00 -1.46 0.00 0.00 42.92 39.45 3i41 s ASP 215 CO 0.22 -3.23 0.08 0.68 0.52 0.00 0.00 175.17 173.45 3i41 s VAL 216 N -2.94 0.98 0.31 1.11 -7.23 -1.26 -5.03 120.40 106.34 3i41 s VAL 216 Ca 0.66 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 3i41 s VAL 216 Cb -0.19 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 3i41 s VAL 216 CO 0.58 0.00 0.70 -0.76 -0.31 0.00 0.00 175.10 175.31 3i41 s LEU 217 N -3.60 4.08 0.07 1.32 1.43 -0.82 -4.94 118.68 116.21 3i41 s LEU 217 Ca 0.27 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 3i41 s LEU 217 Cb 0.05 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3i41 s LEU 217 CO 0.14 -0.19 -0.20 -0.31 0.23 0.00 0.00 176.35 176.02 3i41 s TYR 218 N -1.96 2.51 0.18 0.29 2.02 -1.26 -0.48 117.35 118.64 3i41 s TYR 218 Ca 0.53 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 3i41 s TYR 218 Cb -0.10 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 3i41 s TYR 218 CO 0.18 0.28 0.13 0.00 -1.57 0.00 0.00 175.55 174.58 3i41 s ALA 219 N -0.98 0.90 0.00 3.71 0.00 0.10 -4.93 121.76 120.57 3i41 s ALA 219 Ca 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3i41 s ALA 219 Cb -0.10 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3i41 s ALA 219 CO 0.06 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3i41 n GLY 220 N -0.21 2.36 3.74 0.00 0.00 -1.26 -0.85 105.19 108.97 3i41 n GLY 220 Ca -0.01 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3i41 n GLY 220 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i41 s HIS 221 N 0.00 2.27 -1.69 1.61 5.65 -0.97 -4.79 115.29 117.37 3i41 s HIS 221 Ca 0.00 1.52 0.13 0.00 0.25 0.00 0.00 55.06 56.96 3i41 s HIS 221 Cb 0.00 -3.54 0.43 0.00 -1.18 0.00 0.00 32.58 28.30 3i41 s HIS 221 CO 0.00 -2.45 1.33 0.27 -0.65 0.00 0.00 174.74 173.24 3i41 n ASN 222 N -1.82 2.81 -3.68 9.88 6.94 -1.26 -4.42 115.26 123.71 3i41 n ASN 222 Ca 0.14 -2.12 -0.14 0.00 -0.02 0.00 0.00 54.58 52.44 3i41 n ASN 222 Cb 0.49 -0.38 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 3i41 n ASN 222 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3i41 s SER 223 N -0.89 -0.31 -0.04 0.53 1.04 -1.26 -4.64 113.70 108.14 3i41 s SER 223 Ca 0.32 0.14 0.13 0.00 0.48 0.00 0.00 55.95 57.02 3i41 s SER 223 Cb 0.18 0.40 -0.20 0.00 0.10 0.00 0.00 66.02 66.50 3i41 s SER 223 CO 0.19 -0.58 0.25 0.35 0.98 0.00 0.00 173.24 174.44 3i41 n THR 224 N 0.85 0.14 -3.98 2.02 -2.24 0.48 -4.83 114.28 106.72 3i41 n THR 224 Ca -0.20 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 3i41 n THR 224 Cb 0.58 0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 3i41 n THR 224 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i41 s TRP 225 N -2.83 2.86 -0.35 4.78 -0.00 -0.64 -0.10 118.94 122.66 3i41 s TRP 225 Ca -0.05 -2.15 -0.01 0.00 -0.00 0.00 0.00 56.10 53.89 3i41 s TRP 225 Cb 0.08 -1.94 0.13 0.00 -0.00 0.00 0.00 33.47 31.74 3i41 s TRP 225 CO 0.55 -0.85 0.19 0.34 -0.00 0.00 0.00 176.95 177.19 3i41 s ASP 226 N 1.23 3.25 0.37 5.86 2.15 -1.26 -1.18 116.67 127.08 3i41 s ASP 226 Ca -0.03 -2.03 0.26 0.00 0.43 0.00 0.00 52.55 51.19 3i41 s ASP 226 Cb -0.19 -0.51 1.29 0.00 -0.30 0.00 0.00 42.92 43.21 3i41 s ASP 226 CO -0.08 -0.34 1.80 -0.65 -0.17 0.00 0.00 175.17 175.73 3i41 h PRO 227 N 7.33 0.00 0.00 4.34 0.11 -1.81 0.48 132.00 142.45 3i41 h PRO 227 Ca -0.02 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 3i41 h PRO 227 Cb 0.97 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3i41 h PRO 227 CO 0.34 0.00 -0.83 1.96 -0.21 0.00 0.00 178.00 179.26 3i41 h GLN 228 N 0.00 0.02 0.00 1.05 4.20 -1.89 -3.34 115.11 115.15 3i41 h GLN 228 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3i41 h GLN 228 Cb 0.15 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3i41 h GLN 228 CO 0.00 0.84 -0.07 -1.13 -0.67 0.00 0.00 178.83 177.79 3i41 n SER 229 N -3.57 0.37 -4.59 1.46 3.41 -0.95 -5.02 113.62 104.73 3i41 n SER 229 Ca -0.01 -0.28 -0.37 0.00 -0.26 0.00 0.00 58.87 57.95 3i41 n SER 229 Cb 0.79 0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 65.27 3i41 n SER 229 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i41 s ASN 230 N -0.71 5.80 0.33 4.04 3.84 0.12 -4.99 114.94 123.37 3i41 s ASN 230 Ca 0.00 0.00 0.08 0.00 0.21 0.00 0.00 52.86 53.15 3i41 s ASN 230 Cb 0.00 -2.05 0.59 0.00 -0.55 0.00 0.00 41.25 39.24 3i41 s ASN 230 CO 0.00 0.03 1.78 0.77 -2.79 0.00 0.00 177.10 176.89 3i41 h SER 231 N 7.79 0.22 0.03 -4.21 4.64 -1.90 0.39 113.55 120.51 3i41 h SER 231 Ca -0.37 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 3i41 h SER 231 Cb 1.18 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3i41 h SER 231 CO 0.62 0.53 -0.53 0.40 -0.87 0.00 0.00 176.83 176.97 3i41 h ILE 232 N 0.19 1.50 -0.81 0.95 2.04 -1.94 -2.92 117.51 116.52 3i41 h ILE 232 Ca 0.03 -2.17 -0.02 0.00 1.00 0.00 0.00 64.86 63.70 3i41 h ILE 232 Cb 0.65 2.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.52 3i41 h ILE 232 CO 0.05 0.61 0.44 0.00 0.00 0.00 0.00 178.15 179.25 3i41 h ALA 233 N 0.23 1.03 -0.42 1.87 0.00 -1.73 -2.65 119.26 117.59 3i41 h ALA 233 Ca -0.08 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3i41 h ALA 233 Cb 1.30 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3i41 h ALA 233 CO 0.10 0.55 -0.09 -0.22 0.00 0.00 0.00 179.25 179.58 3i41 h LYS 234 N 1.12 0.01 0.35 0.00 3.64 -0.29 -1.88 116.57 119.52 3i41 h LYS 234 Ca 0.28 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3i41 h LYS 234 Cb 0.04 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3i41 h LYS 234 CO -0.04 0.01 -0.27 -0.92 -2.27 0.00 0.00 179.45 175.95 3i41 h TYR 235 N 0.01 -0.72 -0.70 1.91 3.20 -1.30 -2.16 116.97 117.20 3i41 h TYR 235 Ca 0.20 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3i41 h TYR 235 Cb 0.31 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 3i41 h TYR 235 CO -0.36 -0.41 0.25 -0.91 -1.64 0.00 0.00 178.16 175.10 3i41 h ASN 236 N -0.63 0.97 -1.85 -2.11 2.35 -1.21 -3.37 115.58 109.73 3i41 h ASN 236 Ca -0.03 -0.16 -0.45 0.00 -0.55 0.00 0.00 56.30 55.12 3i41 h ASN 236 Cb 0.55 -0.25 -0.31 0.00 0.05 0.00 0.00 38.32 38.35 3i41 h ASN 236 CO -0.01 0.89 -0.83 -1.22 -1.65 0.00 0.00 177.43 174.61 3i41 n TYR 237 N -4.28 -1.81 -0.24 1.19 4.01 -0.73 -5.02 117.16 110.27 3i41 n TYR 237 Ca 0.06 -2.71 0.10 0.00 -0.16 0.00 0.00 57.90 55.18 3i41 n TYR 237 Cb 0.20 0.61 0.36 0.00 -0.31 0.00 0.00 39.34 40.20 3i41 n TYR 237 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3i41 h PRO 238 N 5.25 0.72 -0.77 -0.72 0.11 -1.56 -0.80 132.00 134.22 3i41 h PRO 238 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3i41 h PRO 238 Cb 0.97 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3i41 h PRO 238 CO 0.27 0.47 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 3i41 n ASN 239 N -4.53 3.21 -4.75 -2.05 2.04 -1.26 -4.85 115.26 103.08 3i41 n ASN 239 Ca 0.15 -2.42 -0.41 0.00 -0.44 0.00 0.00 54.58 51.46 3i41 n ASN 239 Cb 0.37 -0.57 -0.04 0.00 -2.53 0.00 0.00 39.78 37.02 3i41 n ASN 239 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3i41 s GLY 240 N -0.41 2.85 -0.21 4.83 0.00 -0.31 -5.00 107.32 109.07 3i41 s GLY 240 Ca 0.26 0.97 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 3i41 s GLY 240 CO 0.08 1.74 1.29 1.25 0.00 0.00 0.00 173.10 177.46 3i41 s LYS 241 N -0.86 4.12 0.43 2.90 2.36 -1.26 -4.60 119.74 122.83 3i41 s LYS 241 Ca 0.49 1.54 -0.25 0.00 -2.55 0.00 0.00 55.97 55.20 3i41 s LYS 241 Cb -0.33 -3.81 -0.09 0.00 -1.05 0.00 0.00 37.83 32.54 3i41 s LYS 241 CO 0.40 -0.86 1.32 -2.30 1.55 0.00 0.00 175.35 175.46 3i41 n PRO 242 N 6.87 2.03 -4.24 4.03 -0.02 -1.26 -4.87 135.00 137.54 3i41 n PRO 242 Ca 0.14 0.72 -0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3i41 n PRO 242 Cb 0.45 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 3i41 n PRO 242 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i41 s GLU 243 N -2.27 1.16 -0.30 -0.52 2.02 -0.33 -5.01 118.70 113.46 3i41 s GLU 243 Ca 0.61 -1.58 0.03 0.00 0.02 0.00 0.00 54.97 54.05 3i41 s GLU 243 Cb -0.49 -0.16 0.08 0.00 0.10 0.00 0.00 34.13 33.66 3i41 s GLU 243 CO 0.58 -0.21 -0.03 -1.58 0.02 0.00 0.00 175.26 174.04 3i41 s HIS 244 N -3.77 3.49 0.00 1.61 5.65 -1.26 -0.39 115.29 120.63 3i41 s HIS 244 Ca 0.28 -2.61 0.00 0.00 0.25 0.00 0.00 55.06 52.98 3i41 s HIS 244 Cb 0.07 -2.39 0.00 0.00 -1.18 0.00 0.00 32.58 29.08 3i41 s HIS 244 CO 0.07 -0.91 0.00 1.28 -0.65 0.00 0.00 174.74 174.53 3i41 n LEU 245 N 4.36 0.00 -4.54 8.88 4.77 -1.26 -2.44 117.00 126.77 3i41 n LEU 245 Ca -0.06 -0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.40 3i41 n LEU 245 Cb 0.42 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3i41 n LEU 245 CO 0.22 0.00 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.08 3i41 s ASP 246 N -1.24 4.55 0.09 -1.43 1.11 -1.26 -1.25 116.67 117.23 3i41 s ASP 246 Ca 0.00 -0.08 -0.12 0.00 0.18 0.00 0.00 52.55 52.53 3i41 s ASP 246 Cb 0.00 -1.28 0.01 0.00 1.07 0.00 0.00 42.92 42.72 3i41 s ASP 246 CO 0.00 0.31 0.27 -0.31 1.18 0.00 0.00 175.17 176.62 3i41 s TYR 247 N -0.50 -0.00 -0.11 4.23 2.02 -0.56 -4.96 117.35 117.48 3i41 s TYR 247 Ca 0.07 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3i41 s TYR 247 Cb -0.12 0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.54 3i41 s TYR 247 CO 0.02 -0.58 -0.01 0.42 -1.57 0.00 0.00 175.55 173.84 3i41 s ILE 248 N -3.53 0.54 0.50 2.71 1.01 -1.26 -0.92 121.20 120.24 3i41 s ILE 248 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3i41 s ILE 248 Cb 0.03 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3i41 s ILE 248 CO -0.10 0.17 0.14 -0.36 0.00 0.00 0.00 174.94 174.80 3i41 s PHE 249 N 1.89 1.94 0.06 3.97 0.08 0.25 -4.85 117.98 121.33 3i41 s PHE 249 Ca 0.04 -0.85 0.04 0.00 0.12 0.00 0.00 56.93 56.27 3i41 s PHE 249 Cb -0.13 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3i41 s PHE 249 CO -0.06 0.04 -0.12 0.95 -0.10 0.00 0.00 175.22 175.92 3i41 s THR 250 N -2.80 0.91 0.19 0.64 -4.23 -1.26 -0.71 115.64 108.38 3i41 s THR 250 Ca 0.21 -1.24 -0.32 0.00 -1.18 0.00 0.00 61.69 59.16 3i41 s THR 250 Cb 0.01 -0.92 -0.12 0.00 1.34 0.00 0.00 72.50 72.82 3i41 s THR 250 CO 0.12 -0.29 1.72 -0.67 -0.54 0.00 0.00 174.62 174.96 3i41 n ASP 251 N 1.33 3.86 0.00 3.99 2.03 0.03 -3.45 116.55 124.33 3i41 n ASP 251 Ca -0.22 1.05 0.09 0.00 0.52 0.00 0.00 54.79 56.24 3i41 n ASP 251 Cb 0.54 -1.55 0.41 0.00 -0.72 0.00 0.00 41.12 39.81 3i41 n ASP 251 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3i41 n LYS 252 N 4.12 0.07 -0.19 -0.67 2.85 0.52 -2.79 118.16 122.07 3i41 n LYS 252 Ca 0.16 0.17 0.11 0.00 -1.05 0.00 0.00 58.31 57.70 3i41 n LYS 252 Cb 0.34 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.43 3i41 n LYS 252 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i41 n ASP 253 N -1.44 3.38 -4.52 -5.58 8.00 -1.26 -4.97 116.55 110.17 3i41 n ASP 253 Ca 0.06 -1.96 -0.25 0.00 0.71 0.00 0.00 54.79 53.35 3i41 n ASP 253 Cb 0.20 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 3i41 n ASP 253 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i41 s HIS 254 N -1.37 2.27 -0.08 1.24 3.76 -1.12 -4.76 115.29 115.23 3i41 s HIS 254 Ca 0.37 -0.59 -0.40 0.00 -0.15 0.00 0.00 55.06 54.29 3i41 s HIS 254 Cb 0.21 -1.34 -0.19 0.00 1.11 0.00 0.00 32.58 32.38 3i41 s HIS 254 CO 0.30 0.47 1.28 1.17 -0.85 0.00 0.00 174.74 177.11 3i41 n LYS 255 N -0.75 0.41 -3.30 1.40 4.81 0.43 -4.89 118.16 116.28 3i41 n LYS 255 Ca -0.05 0.15 -0.33 0.00 -0.87 0.00 0.00 58.31 57.21 3i41 n LYS 255 Cb 0.64 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 3i41 n LYS 255 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3i41 s GLN 256 N 0.91 3.95 1.02 1.64 -1.52 -1.26 -4.15 119.66 120.25 3i41 s GLN 256 Ca 0.92 0.49 -0.11 0.00 -1.95 0.00 0.00 55.36 54.71 3i41 s GLN 256 Cb -1.20 -2.69 0.20 0.00 -0.22 0.00 0.00 33.01 29.10 3i41 s GLN 256 CO 0.59 0.33 1.09 -2.14 -0.25 0.00 0.00 175.29 174.90 3i41 s PRO 257 N -2.54 0.19 0.16 2.91 0.02 -1.26 -4.93 135.00 129.54 3i41 s PRO 257 Ca 0.46 1.14 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 3i41 s PRO 257 Cb -0.12 -1.66 0.05 0.00 0.02 0.00 0.00 34.50 32.78 3i41 s PRO 257 CO 0.20 -3.07 1.61 -0.22 -0.33 0.00 0.00 177.00 175.19 3i41 h LYS 258 N -2.16 -0.25 -0.85 5.54 3.64 -1.97 -3.39 116.57 117.13 3i41 h LYS 258 Ca -0.52 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3i41 h LYS 258 Cb 1.30 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.99 3i41 h LYS 258 CO 0.47 -0.16 -0.38 -1.14 -2.27 0.00 0.00 179.45 175.97 3i41 s GLN 259 N -6.04 0.69 0.08 1.90 2.00 -1.26 -5.11 119.66 111.91 3i41 s GLN 259 Ca -0.15 -0.20 -0.31 0.00 -2.00 0.00 0.00 55.36 52.70 3i41 s GLN 259 Cb 0.13 0.09 -0.07 0.00 0.80 0.00 0.00 33.01 33.96 3i41 s GLN 259 CO 0.68 -1.00 1.30 -1.17 -0.50 0.00 0.00 175.29 174.60 3i41 s LEU 260 N 1.90 4.36 0.00 3.68 2.96 -1.26 -4.28 118.68 126.04 3i41 s LEU 260 Ca 0.16 2.16 0.04 0.00 -0.22 0.00 0.00 54.13 56.26 3i41 s LEU 260 Cb -0.03 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3i41 s LEU 260 CO -0.09 -0.58 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.57 3i41 s VAL 261 N 1.23 3.38 -0.21 1.68 1.01 0.22 -1.95 120.40 125.76 3i41 s VAL 261 Ca 0.62 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3i41 s VAL 261 Cb -0.33 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3i41 s VAL 261 CO 0.29 0.41 -0.05 0.20 0.00 0.00 0.00 175.10 175.96 3i41 s ASN 262 N -1.31 4.29 -0.20 3.32 -0.87 0.36 -2.73 114.94 117.79 3i41 s ASN 262 Ca 0.16 -0.38 -0.06 0.00 -1.57 0.00 0.00 52.86 51.01 3i41 s ASN 262 Cb -0.11 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.25 39.36 3i41 s ASN 262 CO 0.06 -0.00 0.03 -0.70 -2.57 0.00 0.00 177.10 173.92 3i41 s GLU 263 N 1.36 3.72 -0.30 -0.60 2.12 0.13 -0.72 118.70 124.41 3i41 s GLU 263 Ca 0.04 -0.47 -0.23 0.00 0.36 0.00 0.00 54.97 54.68 3i41 s GLU 263 Cb -0.14 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 3i41 s GLU 263 CO -0.03 0.04 0.74 0.08 -0.54 0.00 0.00 175.26 175.56 3i41 s VAL 264 N 0.95 4.84 -0.09 3.70 1.01 -0.03 -0.72 120.40 130.07 3i41 s VAL 264 Ca 0.02 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 3i41 s VAL 264 Cb -0.14 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3i41 s VAL 264 CO 0.02 -0.19 0.48 -0.69 0.00 0.00 0.00 175.10 174.72 3i41 s VAL 265 N 2.84 5.13 -0.23 2.92 1.01 -0.77 -2.28 120.40 129.02 3i41 s VAL 265 Ca 0.30 0.97 0.12 0.00 0.00 0.00 0.00 61.98 63.38 3i41 s VAL 265 Cb -0.14 -3.82 0.46 0.00 0.00 0.00 0.00 36.38 32.88 3i41 s VAL 265 CO 0.12 0.37 1.35 0.35 0.00 0.00 0.00 175.10 177.29 3i41 n THR 266 N 3.29 2.33 -1.73 3.92 -2.24 -1.26 -3.95 114.28 114.64 3i41 n THR 266 Ca -0.08 -2.64 -0.42 0.00 -2.27 0.00 0.00 64.05 58.64 3i41 n THR 266 Cb 0.52 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 3i41 n THR 266 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i41 n GLU 267 N -1.07 2.34 -4.51 -0.78 2.13 -1.26 -5.01 120.64 112.48 3i41 n GLU 267 Ca 0.25 0.82 -0.25 0.00 0.66 0.00 0.00 57.16 58.65 3i41 n GLU 267 Cb 0.87 -2.46 -0.14 0.00 0.27 0.00 0.00 31.44 29.98 3i41 n GLU 267 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i41 s LYS 268 N -1.86 1.27 0.78 5.31 1.02 -1.26 -4.77 119.74 120.22 3i41 s LYS 268 Ca 0.55 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 3i41 s LYS 268 Cb -0.54 -1.42 0.06 0.00 -0.52 0.00 0.00 37.83 35.41 3i41 s LYS 268 CO 0.62 0.35 1.12 -1.25 -0.92 0.00 0.00 175.35 175.27 3i41 s PRO 269 N -1.41 2.27 0.51 -1.68 0.04 -1.25 -5.02 135.00 128.46 3i41 s PRO 269 Ca 0.07 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.30 3i41 s PRO 269 Cb -0.09 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3i41 s PRO 269 CO 0.03 -1.44 1.01 0.36 0.04 0.00 0.00 177.00 176.99 3i41 n LYS 270 N -3.27 1.18 -1.62 4.56 2.85 -1.26 -4.72 118.16 115.88 3i41 n LYS 270 Ca 0.07 0.44 -0.43 0.00 -1.05 0.00 0.00 58.31 57.34 3i41 n LYS 270 Cb 0.58 -2.14 -0.00 0.00 -0.65 0.00 0.00 35.03 32.82 3i41 n LYS 270 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3i41 n PRO 271 N -0.43 1.52 -4.03 -1.58 -0.02 -1.26 -4.84 135.00 124.36 3i41 n PRO 271 Ca 0.11 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3i41 n PRO 271 Cb 0.43 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3i41 n PRO 271 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i41 s TRP 272 N -1.16 0.45 0.26 6.00 1.48 -0.32 -4.98 118.94 120.67 3i41 s TRP 272 Ca 0.60 -0.64 0.11 0.00 -1.06 0.00 0.00 56.10 55.10 3i41 s TRP 272 Cb -0.61 -0.30 -0.05 0.00 -1.16 0.00 0.00 33.47 31.35 3i41 s TRP 272 CO 0.59 -0.20 -0.19 0.16 -4.06 0.00 0.00 176.95 173.26 3i41 s ASP 273 N -1.86 3.36 -0.11 -2.66 1.47 -1.26 -0.98 116.67 114.63 3i41 s ASP 273 Ca -0.09 -1.02 0.01 0.00 1.18 0.00 0.00 52.55 52.63 3i41 s ASP 273 Cb -0.06 -0.26 0.02 0.00 -0.34 0.00 0.00 42.92 42.28 3i41 s ASP 273 CO -0.03 -0.00 -0.11 0.54 0.68 0.00 0.00 175.17 176.25 3i41 s VAL 274 N -2.59 1.24 -0.55 2.11 0.11 -0.52 -4.96 120.40 115.23 3i41 s VAL 274 Ca 0.28 -0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 3i41 s VAL 274 Cb -0.04 -1.19 0.14 0.00 -1.53 0.00 0.00 36.38 33.76 3i41 s VAL 274 CO 0.13 0.40 0.44 -0.31 -3.33 0.00 0.00 175.10 172.43 3i41 s TYR 275 N 1.30 3.45 -0.29 1.54 1.51 -1.26 -2.09 117.35 121.50 3i41 s TYR 275 Ca -0.02 -1.89 0.02 0.00 -1.01 0.00 0.00 57.07 54.18 3i41 s TYR 275 Cb -0.14 -3.56 0.20 0.00 -0.11 0.00 0.00 41.96 38.34 3i41 s TYR 275 CO -0.05 -0.98 0.66 0.00 -1.11 0.00 0.00 175.55 174.07 3i41 s ALA 276 N 1.06 -2.60 0.00 3.71 0.00 -0.82 -5.05 121.76 118.06 3i41 s ALA 276 Ca 0.08 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3i41 s ALA 276 Cb -0.24 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.37 3i41 s ALA 276 CO -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 175.76 173.97 3i41 n ALA 277 N 5.39 0.00 -0.84 0.00 0.00 -1.26 -2.14 120.51 121.66 3i41 n ALA 277 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i41 n ALA 277 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i41 n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i41 n ALA 278 N 0.00 0.00 -1.79 0.00 0.00 -1.26 -5.07 120.51 112.39 3i41 n ALA 278 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3i41 n ALA 278 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i41 n ALA 278 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i41 s TYR 279 N 0.00 3.28 -0.15 0.00 2.02 -0.91 -5.06 117.35 116.54 3i41 s TYR 279 Ca 0.00 1.65 -0.05 0.00 -0.37 0.00 0.00 57.07 58.29 3i41 s TYR 279 Cb 0.00 -3.08 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 3i41 s TYR 279 CO 0.00 -0.52 0.04 -0.47 -1.57 0.00 0.00 175.55 173.03 3i41 s TYR 280 N -1.73 3.23 0.02 2.71 5.04 -1.26 -1.94 117.35 123.41 3i41 s TYR 280 Ca 0.58 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 3i41 s TYR 280 Cb -0.20 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.12 3i41 s TYR 280 CO 0.25 0.26 -0.04 0.71 -1.34 0.00 0.00 175.55 175.39 3i41 s TYR 281 N -0.08 0.34 -0.00 4.97 2.02 -0.89 -5.04 117.35 118.67 3i41 s TYR 281 Ca 0.06 -0.54 0.07 0.00 -0.37 0.00 0.00 57.07 56.28 3i41 s TYR 281 Cb -0.12 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3i41 s TYR 281 CO 0.01 -0.17 -0.20 0.08 -1.57 0.00 0.00 175.55 173.70 3i41 s VAL 282 N -1.50 2.58 0.16 0.71 1.01 -1.26 -1.44 120.40 120.66 3i41 s VAL 282 Ca -0.14 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.82 3i41 s VAL 282 Cb -0.10 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3i41 s VAL 282 CO -0.01 0.49 -0.05 -0.31 0.00 0.00 0.00 175.10 175.22 3i41 s TYR 283 N -0.76 1.26 -0.30 5.22 2.02 -0.15 -4.98 117.35 119.65 3i41 s TYR 283 Ca 0.12 -0.88 0.19 0.00 -0.37 0.00 0.00 57.07 56.14 3i41 s TYR 283 Cb -0.10 -0.69 0.47 0.00 -0.40 0.00 0.00 41.96 41.24 3i41 s TYR 283 CO 0.02 -0.05 1.08 0.27 -1.57 0.00 0.00 175.55 175.30 3i41 n ASN 284 N -0.23 1.10 -4.25 2.29 6.94 -1.26 -1.17 115.26 118.67 3i41 n ASN 284 Ca -0.08 -2.36 -0.14 0.00 -0.02 0.00 0.00 54.58 51.97 3i41 n ASN 284 Cb 0.62 -0.33 -0.10 0.00 -2.36 0.00 0.00 39.78 37.61 3i41 n ASN 284 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3i41 s ASP 285 N -3.17 1.80 0.32 0.53 1.11 -1.26 -3.95 116.67 112.04 3i41 s ASP 285 Ca 0.26 -1.01 0.17 0.00 0.18 0.00 0.00 52.55 52.15 3i41 s ASP 285 Cb 0.39 -0.01 0.28 0.00 1.07 0.00 0.00 42.92 44.66 3i41 s ASP 285 CO -0.01 -0.33 1.54 -0.26 1.18 0.00 0.00 175.17 177.29 3i41 h PHE 286 N 2.80 0.00 -2.18 4.23 0.04 -1.90 -3.46 116.94 116.46 3i41 h PHE 286 Ca -0.37 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.61 3i41 h PHE 286 Cb 1.19 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.26 3i41 h PHE 286 CO 0.65 0.44 0.56 0.45 -0.60 0.00 0.00 178.31 179.80 3i41 s SER 287 N -6.41 -0.14 0.00 2.17 0.15 -1.26 -4.85 113.70 103.35 3i41 s SER 287 Ca 0.03 -0.38 0.29 0.00 0.70 0.00 0.00 55.95 56.59 3i41 s SER 287 Cb 0.08 0.43 1.21 0.00 -1.71 0.00 0.00 66.02 66.03 3i41 s SER 287 CO 0.72 -0.80 1.91 -0.90 1.20 0.00 0.00 173.24 175.37 3i41 n ASP 288 N -0.53 0.03 -4.78 5.45 5.75 -1.26 -4.74 116.55 116.47 3i41 n ASP 288 Ca -0.06 0.42 -0.27 0.00 -0.01 0.00 0.00 54.79 54.87 3i41 n ASP 288 Cb 0.61 -0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 3i41 n ASP 288 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3i41 s HIS 289 N -2.98 3.13 0.13 2.11 3.76 -1.26 -4.31 115.29 115.87 3i41 s HIS 289 Ca 0.15 -0.00 -0.14 0.00 -0.15 0.00 0.00 55.06 54.91 3i41 s HIS 289 Cb 0.19 -1.53 -0.07 0.00 1.11 0.00 0.00 32.58 32.28 3i41 s HIS 289 CO 0.54 0.52 0.53 0.71 -0.85 0.00 0.00 174.74 176.19 3i41 s TYR 290 N -1.65 3.63 0.77 1.40 2.02 0.86 -4.87 117.35 119.51 3i41 s TYR 290 Ca 0.30 1.06 -0.11 0.00 -0.37 0.00 0.00 57.07 57.95 3i41 s TYR 290 Cb -0.11 -2.36 0.06 0.00 -0.40 0.00 0.00 41.96 39.15 3i41 s TYR 290 CO 0.23 0.46 1.08 -1.25 -1.57 0.00 0.00 175.55 174.50 3i41 s PRO 291 N -1.84 2.28 0.03 -1.71 0.04 -1.25 -4.80 135.00 127.74 3i41 s PRO 291 Ca 0.36 0.94 0.09 0.00 0.04 0.00 0.00 61.00 62.42 3i41 s PRO 291 Cb -0.15 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3i41 s PRO 291 CO 0.19 -1.56 -0.26 0.96 0.04 0.00 0.00 177.00 176.37 3i41 s ILE 292 N -3.01 2.16 -0.13 0.56 -4.36 -0.12 -1.85 121.20 114.46 3i41 s ILE 292 Ca 0.60 -1.29 -0.03 0.00 -0.26 0.00 0.00 60.65 59.68 3i41 s ILE 292 Cb -0.16 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 3i41 s ILE 292 CO 0.55 0.43 -0.04 -0.75 0.24 0.00 0.00 174.94 175.37 3i41 s LYS 293 N -1.06 3.44 0.02 0.37 2.20 0.10 -1.20 119.74 123.61 3i41 s LYS 293 Ca 0.11 -0.51 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 3i41 s LYS 293 Cb -0.10 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 3i41 s LYS 293 CO 0.01 0.36 -0.25 0.00 -0.36 0.00 0.00 175.35 175.12 3i41 s ALA 294 N 0.02 2.07 0.01 3.13 0.00 0.72 0.21 121.76 127.92 3i41 s ALA 294 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 3i41 s ALA 294 Cb -0.13 -0.47 0.11 0.00 0.00 0.00 0.00 23.12 22.62 3i41 s ALA 294 CO 0.03 0.49 1.24 1.52 0.00 0.00 0.00 175.76 179.04 3i41 s TYR 295 N -0.69 -0.04 -0.07 0.00 1.13 -1.11 -0.45 117.35 116.12 3i41 s TYR 295 Ca 0.10 -0.11 0.03 0.00 -1.41 0.00 0.00 57.07 55.68 3i41 s TYR 295 Cb -0.09 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 3i41 s TYR 295 CO 0.01 -0.37 -0.14 -1.12 -2.51 0.00 0.00 175.55 171.41 3i41 s SER 296 N -3.11 3.98 0.00 -0.18 0.01 -1.26 -0.61 113.70 112.53 3i41 s SER 296 Ca 0.16 -0.24 0.28 0.00 1.31 0.00 0.00 55.95 57.46 3i41 s SER 296 Cb 0.03 -1.05 1.11 0.00 0.21 0.00 0.00 66.02 66.32 3i41 s SER 296 CO -0.02 0.29 1.78 0.29 0.41 0.00 0.00 173.24 175.99