#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hig h LYS 29 N 0.00 0.15 -1.00 2.89 1.57 -2.01 -3.21 116.57 114.96 3hig h LYS 29 Ca 0.00 -0.06 0.29 0.00 -1.87 0.00 0.00 60.65 59.01 3hig h LYS 29 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3hig h LYS 29 CO 0.00 0.48 0.87 0.00 -0.57 0.00 0.00 179.45 180.22 3hig h ALA 30 N 1.53 2.87 -0.65 3.86 0.00 -1.97 -1.63 119.26 123.26 3hig h ALA 30 Ca 0.02 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.08 3hig h ALA 30 Cb 0.66 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hig h ALA 30 CO 0.05 -1.38 0.53 0.78 0.00 0.00 0.00 179.25 179.23 3hig h GLY 31 N 0.00 0.00 1.60 0.00 0.00 -1.93 -0.12 103.07 102.62 3hig h GLY 31 Ca 0.47 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.85 3hig h GLY 31 CO -0.00 0.00 0.15 -0.24 0.00 0.00 0.00 176.54 176.45 3hig h VAL 32 N 0.00 0.61 -0.02 4.60 3.04 -1.57 -1.91 116.25 121.00 3hig h VAL 32 Ca 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 3hig h VAL 32 Cb 1.37 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3hig h VAL 32 CO -0.00 0.00 -0.25 0.49 -1.01 0.00 0.00 177.57 176.80 3hig n PHE 33 N -4.02 0.00 -2.83 3.17 3.72 -0.06 -4.81 117.46 112.62 3hig n PHE 33 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 3hig n PHE 33 Cb 0.28 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 3hig n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hig s SER 34 N -2.30 6.98 0.87 4.37 1.04 -0.72 -4.58 113.70 119.36 3hig s SER 34 Ca 0.25 1.69 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 3hig s SER 34 Cb 0.19 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.89 3hig s SER 34 CO 0.46 -0.32 1.10 -1.81 0.98 0.00 0.00 173.24 173.65 3hig s ASP 35 N -2.12 3.54 0.29 7.02 1.01 -1.26 -4.91 116.67 120.24 3hig s ASP 35 Ca 0.60 1.76 -0.29 0.00 0.71 0.00 0.00 52.55 55.33 3hig s ASP 35 Cb -0.10 -2.39 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 3hig s ASP 35 CO 0.14 -2.63 1.37 -0.76 0.21 0.00 0.00 175.17 173.50 3hig s LEU 36 N -6.27 4.40 0.95 1.23 1.43 -1.26 -5.02 118.68 114.15 3hig s LEU 36 Ca 0.64 2.67 -0.12 0.00 -1.03 0.00 0.00 54.13 56.29 3hig s LEU 36 Cb -0.19 -3.64 0.16 0.00 0.03 0.00 0.00 46.19 42.56 3hig s LEU 36 CO 0.57 -0.62 1.11 -0.94 0.23 0.00 0.00 176.35 176.70 3hig s SER 37 N -0.03 3.06 0.24 2.29 1.04 -1.26 -4.75 113.70 114.29 3hig s SER 37 Ca 0.54 1.09 -0.05 0.00 0.48 0.00 0.00 55.95 58.01 3hig s SER 37 Cb -0.41 -1.72 0.40 0.00 0.10 0.00 0.00 66.02 64.40 3hig s SER 37 CO 0.48 -2.85 1.76 -1.13 0.98 0.00 0.00 173.24 172.48 3hig h ASN 38 N -1.70 0.42 -0.39 7.02 -1.24 -1.95 -1.48 115.58 116.25 3hig h ASN 38 Ca -0.53 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 56.55 3hig h ASN 38 Cb 1.33 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.38 3hig h ASN 38 CO 0.60 0.21 0.18 1.56 -1.29 0.00 0.00 177.43 178.68 3hig h GLN 39 N 0.56 0.57 -0.65 6.67 1.08 -1.98 -2.11 115.11 119.25 3hig h GLN 39 Ca 0.39 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 3hig h GLN 39 Cb 0.49 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3hig h GLN 39 CO -0.32 0.52 0.18 0.93 -0.95 0.00 0.00 178.83 179.18 3hig h GLU 40 N 0.49 1.01 -0.47 1.46 5.08 -1.85 -1.54 114.58 118.75 3hig h GLU 40 Ca 0.13 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3hig h GLU 40 Cb 0.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3hig h GLU 40 CO -0.01 0.88 0.06 -0.07 -1.00 0.00 0.00 179.01 178.87 3hig h LEU 41 N 0.97 0.77 -1.09 1.33 3.38 -1.04 -1.41 115.31 118.21 3hig h LEU 41 Ca 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hig h LEU 41 Cb 0.31 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3hig h LEU 41 CO -0.00 0.84 0.43 0.11 0.09 0.00 0.00 178.44 179.91 3hig h LYS 42 N 0.66 1.06 -0.54 1.13 1.57 -1.29 -1.06 116.57 118.10 3hig h LYS 42 Ca 0.14 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3hig h LYS 42 Cb 0.41 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3hig h LYS 42 CO 0.01 0.77 -0.02 0.00 -0.57 0.00 0.00 179.45 179.64 3hig h ALA 43 N 1.40 0.73 -0.34 3.86 0.00 -0.89 0.22 119.26 124.25 3hig h ALA 43 Ca 0.27 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3hig h ALA 43 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hig h ALA 43 CO -0.05 0.57 -0.23 0.28 0.00 0.00 0.00 179.25 179.83 3hig h VAL 44 N 0.85 1.29 -0.25 0.00 2.07 -1.04 -2.20 116.25 116.97 3hig h VAL 44 Ca 0.15 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3hig h VAL 44 Cb 0.56 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3hig h VAL 44 CO 0.03 0.45 0.10 -0.74 0.02 0.00 0.00 177.57 177.43 3hig h HIS 45 N 0.54 0.38 -0.31 1.57 6.17 -1.04 -1.85 115.15 120.62 3hig h HIS 45 Ca 0.07 -0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.15 3hig h HIS 45 Cb 0.79 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 3hig h HIS 45 CO 0.06 0.40 0.11 1.03 0.71 0.00 0.00 177.93 180.24 3hig h SER 46 N 0.25 0.11 -0.08 3.26 0.87 -0.57 -1.00 113.55 116.40 3hig h SER 46 Ca 0.08 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3hig h SER 46 Cb 0.19 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 3hig h SER 46 CO -0.01 0.10 -0.08 0.15 -0.53 0.00 0.00 176.83 176.46 3hig h PHE 47 N 0.24 -0.21 -0.73 2.24 3.57 -1.23 -0.21 116.94 120.61 3hig h PHE 47 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3hig h PHE 47 Cb 0.11 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3hig h PHE 47 CO -0.14 -0.13 0.36 -0.07 -2.23 0.00 0.00 178.31 176.10 3hig h LEU 48 N -0.11 0.94 -1.63 0.59 3.38 -1.20 -2.37 115.31 114.92 3hig h LEU 48 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hig h LEU 48 Cb 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hig h LEU 48 CO -0.15 0.80 -0.09 -0.50 0.09 0.00 0.00 178.44 178.59 3hig h TRP 49 N 1.01 0.00 0.00 1.13 4.06 -0.71 -1.95 115.95 119.48 3hig h TRP 49 Ca 0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.20 3hig h TRP 49 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3hig h TRP 49 CO 0.01 0.09 0.00 -1.13 -3.56 0.00 0.00 178.44 173.85 3hig n SER 50 N -3.30 0.00 -4.38 -3.49 3.41 -0.13 -4.51 113.62 101.22 3hig n SER 50 Ca -0.00 -0.01 -0.45 0.00 -0.26 0.00 0.00 58.87 58.15 3hig n SER 50 Cb 0.30 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3hig n SER 50 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hig s LYS 51 N -2.61 3.37 0.53 4.33 1.02 -0.74 -4.91 119.74 120.73 3hig s LYS 51 Ca 0.22 -1.78 0.24 0.00 0.02 0.00 0.00 55.97 54.67 3hig s LYS 51 Cb 0.16 -4.51 1.47 0.00 -0.52 0.00 0.00 37.83 34.43 3hig s LYS 51 CO 0.37 -1.54 2.13 1.57 -0.92 0.00 0.00 175.35 176.96 3hig h LYS 52 N 8.68 0.00 0.00 1.68 5.09 -1.86 -1.50 116.57 128.66 3hig h LYS 52 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 3hig h LYS 52 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.38 3hig h LYS 52 CO 1.00 0.08 0.00 -0.85 -2.09 0.00 0.00 179.45 177.59 3hig n GLU 53 N -3.96 0.06 0.17 0.07 0.00 -1.26 -2.25 120.64 113.47 3hig n GLU 53 Ca -0.02 0.22 0.13 0.00 0.00 0.00 0.00 57.16 57.49 3hig n GLU 53 Cb 0.17 -1.60 0.39 0.00 0.00 0.00 0.00 31.44 30.40 3hig n GLU 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hig h LEU 54 N 0.00 0.00 -0.91 -1.84 3.38 -1.62 -3.47 115.31 110.85 3hig h LEU 54 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3hig h LEU 54 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3hig h LEU 54 CO 0.00 0.00 -0.74 0.54 0.09 0.00 0.00 178.44 178.33 3hig n ARG 55 N -2.66 -5.75 -2.15 1.13 1.74 -0.96 -4.74 116.66 103.28 3hig n ARG 55 Ca 0.04 0.62 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 3hig n ARG 55 Cb 0.41 -5.53 -0.02 0.00 -1.02 0.00 0.00 32.46 26.29 3hig n ARG 55 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hig s LEU 56 N -7.28 4.43 0.19 0.55 1.43 -1.26 -4.24 118.68 112.51 3hig s LEU 56 Ca 0.66 2.62 0.06 0.00 -1.03 0.00 0.00 54.13 56.43 3hig s LEU 56 Cb -0.32 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 3hig s LEU 56 CO 0.81 -0.52 -0.09 -1.10 0.23 0.00 0.00 176.35 175.68 3hig s GLN 57 N -1.41 1.24 0.54 1.70 -0.21 0.41 -4.99 119.66 116.94 3hig s GLN 57 Ca 0.51 -1.57 -0.21 0.00 0.02 0.00 0.00 55.36 54.11 3hig s GLN 57 Cb -0.39 -0.83 -0.05 0.00 1.00 0.00 0.00 33.01 32.74 3hig s GLN 57 CO 0.49 0.07 1.20 -2.14 -2.12 0.00 0.00 175.29 172.80 3hig s PRO 58 N -3.73 3.31 0.38 2.91 0.02 -1.26 -4.41 135.00 132.21 3hig s PRO 58 Ca 0.22 1.83 0.17 0.00 0.02 0.00 0.00 61.00 63.24 3hig s PRO 58 Cb 0.02 -2.13 1.08 0.00 0.02 0.00 0.00 34.50 33.49 3hig s PRO 58 CO 0.05 -0.94 1.75 0.66 -0.33 0.00 0.00 177.00 178.19 3hig h SER 59 N 1.38 0.48 0.74 2.53 4.64 -1.88 -1.75 113.55 119.68 3hig h SER 59 Ca -0.50 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3hig h SER 59 Cb 1.28 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3hig h SER 59 CO 0.57 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 3hig n SER 60 N -4.69 0.02 -4.75 4.97 3.41 -1.26 -4.51 113.62 106.82 3hig n SER 60 Ca 0.26 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.96 3hig n SER 60 Cb 0.88 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3hig n SER 60 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hig s THR 61 N -3.01 2.49 -0.88 6.66 2.01 -0.66 -4.89 115.64 117.36 3hig s THR 61 Ca 0.10 0.41 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 3hig s THR 61 Cb 0.14 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3hig s THR 61 CO 0.39 0.06 2.80 0.35 -0.69 0.00 0.00 174.62 177.53 3hig n THR 62 N 2.33 4.13 -3.72 -0.82 -2.24 -1.26 -4.81 114.28 107.89 3hig n THR 62 Ca 0.07 -3.18 -0.14 0.00 -2.27 0.00 0.00 64.05 58.53 3hig n THR 62 Cb 0.39 -1.99 -0.09 0.00 -2.10 0.00 0.00 70.33 66.55 3hig n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hig s THR 63 N -0.66 0.04 -0.74 4.28 -1.32 -1.26 -5.02 115.64 110.96 3hig s THR 63 Ca 0.60 -0.30 0.26 0.00 -1.21 0.00 0.00 61.69 61.04 3hig s THR 63 Cb 0.27 -0.66 0.19 0.00 -1.51 0.00 0.00 72.50 70.79 3hig s THR 63 CO -0.12 -0.16 1.63 0.23 -2.21 0.00 0.00 174.62 173.99 3hig n MET 64 N 1.57 0.23 -2.18 7.08 0.00 -1.26 -4.39 117.12 118.17 3hig n MET 64 Ca -0.19 0.14 -0.41 0.00 0.00 0.00 0.00 57.70 57.24 3hig n MET 64 Cb 0.56 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 32.06 3hig n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hig n ALA 65 N -1.76 6.41 -2.87 3.04 0.00 -1.24 -4.55 120.51 119.55 3hig n ALA 65 Ca 0.05 -4.23 -0.10 0.00 0.00 0.00 0.00 53.44 49.16 3hig n ALA 65 Cb 0.42 -2.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.08 3hig n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3hig s LYS 66 N -1.43 0.63 -0.11 0.00 -2.85 -1.25 -4.38 119.74 110.35 3hig s LYS 66 Ca 0.49 -0.62 -0.15 0.00 -1.00 0.00 0.00 55.97 54.69 3hig s LYS 66 Cb 0.17 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 3hig s LYS 66 CO -0.07 -0.17 0.36 -0.80 0.10 0.00 0.00 175.35 174.77 3hig s ASN 67 N -1.98 6.59 -0.09 0.03 0.01 -1.26 -1.34 114.94 116.91 3hig s ASN 67 Ca -0.07 0.70 -0.16 0.00 -0.71 0.00 0.00 52.86 52.63 3hig s ASN 67 Cb -0.02 -2.22 0.04 0.00 0.41 0.00 0.00 41.25 39.45 3hig s ASN 67 CO -0.03 0.14 0.39 0.42 -1.51 0.00 0.00 177.10 176.51 3hig s THR 68 N 0.05 0.02 -0.36 1.60 -4.23 -0.47 -0.45 115.64 111.80 3hig s THR 68 Ca 0.21 -0.19 -0.27 0.00 -1.18 0.00 0.00 61.69 60.25 3hig s THR 68 Cb -0.14 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.09 3hig s THR 68 CO 0.08 -0.11 1.01 -0.69 -0.54 0.00 0.00 174.62 174.37 3hig s VAL 69 N -0.53 4.51 -0.08 2.29 1.01 -1.26 -0.93 120.40 125.40 3hig s VAL 69 Ca -0.06 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.24 3hig s VAL 69 Cb -0.04 -4.40 -0.29 0.00 0.00 0.00 0.00 36.38 31.66 3hig s VAL 69 CO 0.03 -0.58 0.54 0.15 0.00 0.00 0.00 175.10 175.24 3hig h PHE 70 N 8.43 0.60 -3.11 5.22 3.57 -1.02 -3.45 116.94 127.17 3hig h PHE 70 Ca -0.22 -0.44 -0.18 0.00 3.53 0.00 0.00 57.97 60.66 3hig h PHE 70 Cb 1.07 -0.02 -0.28 0.00 2.79 0.00 0.00 35.95 39.51 3hig h PHE 70 CO 0.85 1.71 -0.47 -1.17 -2.23 0.00 0.00 178.31 177.00 3hig s LEU 71 N -7.16 0.79 -0.08 0.59 2.96 -1.20 -0.25 118.68 114.33 3hig s LEU 71 Ca -0.18 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3hig s LEU 71 Cb 0.06 0.75 0.02 0.00 0.50 0.00 0.00 46.19 47.51 3hig s LEU 71 CO 0.82 -0.12 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.98 3hig s ILE 72 N 0.67 1.15 0.18 6.68 1.01 -0.91 -1.11 121.20 128.88 3hig s ILE 72 Ca -0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3hig s ILE 72 Cb -0.06 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 3hig s ILE 72 CO -0.04 0.37 0.35 -1.83 0.00 0.00 0.00 174.94 173.79 3hig s GLU 73 N 1.00 1.26 0.25 2.79 -1.05 -0.73 -4.21 118.70 118.02 3hig s GLU 73 Ca -0.08 -1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 53.29 3hig s GLU 73 Cb -0.15 0.41 -0.09 0.00 -0.44 0.00 0.00 34.13 33.86 3hig s GLU 73 CO -0.00 -0.49 1.31 1.41 0.95 0.00 0.00 175.26 178.44 3hig s MET 74 N -3.97 4.39 -0.40 -4.83 -2.45 -1.26 0.14 119.30 110.92 3hig s MET 74 Ca 0.17 2.12 -0.10 0.00 -1.25 0.00 0.00 55.69 56.63 3hig s MET 74 Cb 0.02 -3.14 0.05 0.00 1.25 0.00 0.00 34.83 33.01 3hig s MET 74 CO 0.01 -0.21 0.24 -1.17 1.05 0.00 0.00 175.02 174.94 3hig s LEU 75 N -0.80 4.95 0.28 4.11 2.96 -0.76 -4.64 118.68 124.78 3hig s LEU 75 Ca 0.53 -1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.89 3hig s LEU 75 Cb -0.38 -2.01 -0.11 0.00 0.50 0.00 0.00 46.19 44.19 3hig s LEU 75 CO 0.44 -0.47 1.60 -0.22 -1.32 0.00 0.00 176.35 176.38 3hig s LEU 76 N 1.49 4.35 1.04 -0.68 2.96 -1.26 -4.36 118.68 122.22 3hig s LEU 76 Ca 0.02 2.93 -0.13 0.00 -0.22 0.00 0.00 54.13 56.73 3hig s LEU 76 Cb -0.21 -3.63 0.21 0.00 0.50 0.00 0.00 46.19 43.06 3hig s LEU 76 CO 0.04 -0.91 1.08 -2.16 -1.32 0.00 0.00 176.35 173.08 3hig s PRO 77 N -0.34 0.08 0.40 0.98 0.04 -1.26 -4.97 135.00 129.94 3hig s PRO 77 Ca 0.64 0.57 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 3hig s PRO 77 Cb -0.48 -1.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3hig s PRO 77 CO 0.46 -2.98 1.32 0.15 0.04 0.00 0.00 177.00 175.99 3hig s LYS 78 N -4.85 3.97 0.26 4.56 1.02 -1.26 -4.85 119.74 118.59 3hig s LYS 78 Ca 0.66 2.21 -0.03 0.00 0.02 0.00 0.00 55.97 58.83 3hig s LYS 78 Cb -0.20 -2.77 0.42 0.00 -0.52 0.00 0.00 37.83 34.75 3hig s LYS 78 CO 0.59 -0.51 1.86 -0.22 -0.92 0.00 0.00 175.35 176.15 3hig h LYS 79 N 2.70 1.02 -0.52 1.68 3.64 -1.99 -1.67 116.57 121.43 3hig h LYS 79 Ca -0.50 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 58.92 3hig h LYS 79 Cb 1.25 -0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.75 3hig h LYS 79 CO 0.63 0.68 -0.01 -0.92 -2.27 0.00 0.00 179.45 177.55 3hig h TYR 80 N 1.05 -0.05 -0.11 1.91 3.20 -2.00 0.66 116.97 121.63 3hig h TYR 80 Ca 0.43 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 62.16 3hig h TYR 80 Cb 0.25 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 3hig h TYR 80 CO -0.02 -0.13 -0.67 0.45 -1.64 0.00 0.00 178.16 176.15 3hig h HIS 81 N 0.11 0.60 -0.33 -3.82 3.86 -1.74 -2.65 115.15 111.18 3hig h HIS 81 Ca 0.26 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3hig h HIS 81 Cb 0.40 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3hig h HIS 81 CO -0.33 0.99 0.06 0.28 0.86 0.00 0.00 177.93 179.80 3hig h VAL 82 N 0.32 1.23 -0.12 2.45 2.07 -0.62 -1.95 116.25 119.64 3hig h VAL 82 Ca -0.02 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3hig h VAL 82 Cb 1.23 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3hig h VAL 82 CO 0.12 0.26 -0.49 -0.07 0.02 0.00 0.00 177.57 177.41 3hig h LEU 83 N 0.37 0.33 -0.83 2.57 3.38 -0.91 -0.15 115.31 120.08 3hig h LEU 83 Ca 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hig h LEU 83 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3hig h LEU 83 CO 0.00 0.77 0.27 0.03 0.09 0.00 0.00 178.44 179.60 3hig h ARG 84 N 0.24 1.13 -0.10 1.13 3.08 -1.42 0.40 114.38 118.86 3hig h ARG 84 Ca 0.01 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3hig h ARG 84 Cb 0.96 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3hig h ARG 84 CO 0.08 0.94 0.03 0.35 -1.07 0.00 0.00 179.97 180.30 3hig h PHE 85 N 1.10 0.16 -0.03 3.04 3.57 -0.91 -1.12 116.94 122.75 3hig h PHE 85 Ca 0.25 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.52 3hig h PHE 85 Cb 0.25 -0.05 0.02 0.00 2.79 0.00 0.00 35.95 38.96 3hig h PHE 85 CO 0.02 0.32 -0.79 -0.07 -2.23 0.00 0.00 178.31 175.56 3hig h LEU 86 N -0.04 0.76 0.00 0.59 3.38 -0.88 -3.30 115.31 115.81 3hig h LEU 86 Ca 0.03 -0.72 -0.15 0.00 0.09 0.00 0.00 57.88 57.13 3hig h LEU 86 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3hig h LEU 86 CO -0.00 1.37 -1.99 0.47 0.09 0.00 0.00 178.44 178.38 3hig n ASP 87 N -4.04 0.83 -0.06 -0.43 8.00 0.14 -4.62 116.55 116.38 3hig n ASP 87 Ca -0.10 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.45 3hig n ASP 87 Cb 0.76 1.39 0.07 0.00 -0.02 0.00 0.00 41.12 43.32 3hig n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hig n LYS 88 N -2.37 1.82 -2.11 -1.24 5.02 -0.48 -5.01 118.16 113.80 3hig n LYS 88 Ca -0.15 -1.97 -0.19 0.00 -2.02 0.00 0.00 58.31 53.98 3hig n LYS 88 Cb 0.75 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 3hig n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hig n GLY 89 N -0.92 0.28 1.07 0.72 0.00 -0.95 -4.92 105.19 100.46 3hig n GLY 89 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3hig n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hig n GLU 90 N -2.69 0.14 -2.26 1.61 1.02 -0.85 -4.98 120.64 112.62 3hig n GLU 90 Ca -0.21 -0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 55.85 3hig n GLU 90 Cb 0.65 -0.25 -0.02 0.00 -0.02 0.00 0.00 31.44 31.79 3hig n GLU 90 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3hig s ARG 91 N -3.38 4.20 0.12 3.49 1.70 -1.26 -4.54 118.95 119.29 3hig s ARG 91 Ca 0.19 1.94 -0.35 0.00 -0.47 0.00 0.00 55.73 57.04 3hig s ARG 91 Cb -0.01 -2.85 -0.16 0.00 -0.57 0.00 0.00 34.95 31.36 3hig s ARG 91 CO 0.13 -0.22 1.30 1.58 -1.08 0.00 0.00 175.30 177.01 3hig n HIS 92 N 0.41 1.51 -0.88 5.89 -0.00 -1.26 -4.52 115.22 116.38 3hig n HIS 92 Ca 0.02 0.62 -0.31 0.00 0.46 0.00 0.00 57.72 58.52 3hig n HIS 92 Cb 0.45 -2.33 0.14 0.00 -0.12 0.00 0.00 29.99 28.13 3hig n HIS 92 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3hig s PRO 93 N 0.23 1.37 0.22 1.57 0.02 -1.26 -4.95 135.00 132.20 3hig s PRO 93 Ca 0.80 1.49 -0.31 0.00 0.02 0.00 0.00 61.00 63.01 3hig s PRO 93 Cb -0.90 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 31.74 3hig s PRO 93 CO 0.48 -2.36 1.63 0.08 -0.33 0.00 0.00 177.00 176.49 3hig s VAL 94 N -2.64 2.26 -0.16 3.83 1.01 -1.26 -5.00 120.40 118.44 3hig s VAL 94 Ca 0.66 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 3hig s VAL 94 Cb -0.22 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3hig s VAL 94 CO 0.56 0.02 0.42 -0.60 0.00 0.00 0.00 175.10 175.50 3hig s ARG 95 N 0.66 4.27 0.21 2.72 3.52 -1.26 -4.75 118.95 124.32 3hig s ARG 95 Ca 0.70 0.30 0.03 0.00 -0.13 0.00 0.00 55.73 56.62 3hig s ARG 95 Cb -0.47 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 3hig s ARG 95 CO 0.36 0.10 0.01 -1.21 -0.81 0.00 0.00 175.30 173.75 3hig s GLU 96 N 0.85 1.25 0.08 5.12 2.02 -1.26 -1.25 118.70 125.51 3hig s GLU 96 Ca 0.22 -1.62 0.06 0.00 0.02 0.00 0.00 54.97 53.64 3hig s GLU 96 Cb -0.14 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 3hig s GLU 96 CO 0.08 -0.13 -0.09 0.00 0.02 0.00 0.00 175.26 175.15 3hig s ALA 97 N -3.55 2.98 -0.13 5.21 0.00 0.15 -1.83 121.76 124.60 3hig s ALA 97 Ca 0.27 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 3hig s ALA 97 Cb 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3hig s ALA 97 CO 0.07 0.64 0.57 0.50 0.00 0.00 0.00 175.76 177.54 3hig s ARG 98 N -2.02 4.33 -0.10 0.00 3.52 0.12 -0.01 118.95 124.78 3hig s ARG 98 Ca 0.21 0.59 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 3hig s ARG 98 Cb -0.11 -3.48 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3hig s ARG 98 CO 0.13 0.03 -0.14 0.00 -0.81 0.00 0.00 175.30 174.50 3hig s ALA 99 N 1.02 1.62 -0.26 6.12 0.00 -0.12 -1.77 121.76 128.37 3hig s ALA 99 Ca 0.29 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 3hig s ALA 99 Cb -0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3hig s ALA 99 CO 0.12 -0.08 0.11 0.08 0.00 0.00 0.00 175.76 175.99 3hig s VAL 100 N 1.01 4.63 -0.13 0.00 1.01 -0.27 -0.42 120.40 126.24 3hig s VAL 100 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3hig s VAL 100 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3hig s VAL 100 CO -0.02 0.29 -0.12 -0.63 0.00 0.00 0.00 175.10 174.62 3hig s ILE 101 N 1.66 3.13 -0.40 2.22 1.01 -0.44 -0.29 121.20 128.08 3hig s ILE 101 Ca 0.06 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 3hig s ILE 101 Cb -0.16 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3hig s ILE 101 CO 0.06 0.52 0.67 -0.36 0.00 0.00 0.00 174.94 175.83 3hig s PHE 102 N 0.37 3.10 -1.03 3.97 0.40 -0.11 -1.85 117.98 122.83 3hig s PHE 102 Ca -0.10 0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.32 3hig s PHE 102 Cb -0.16 -3.30 0.23 0.00 0.51 0.00 0.00 43.02 40.30 3hig s PHE 102 CO 0.05 -0.76 1.06 -0.06 0.70 0.00 0.00 175.22 176.21 3hig s PHE 103 N 2.86 3.88 -0.92 0.36 0.40 0.48 -1.37 117.98 123.66 3hig s PHE 103 Ca 0.25 -2.26 0.22 0.00 -0.60 0.00 0.00 56.93 54.54 3hig s PHE 103 Cb -0.14 -3.96 -0.02 0.00 0.51 0.00 0.00 43.02 39.41 3hig s PHE 103 CO 0.17 -1.09 1.03 0.41 0.70 0.00 0.00 175.22 176.44 3hig n GLY 104 N 3.59 -1.08 2.65 4.36 0.00 -0.45 -1.73 105.19 112.53 3hig n GLY 104 Ca 0.23 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3hig n GLY 104 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hig n ASP 105 N -1.58 7.46 -3.67 1.61 2.03 -1.23 -3.96 116.55 117.22 3hig n ASP 105 Ca 0.04 -3.56 -0.10 0.00 0.52 0.00 0.00 54.79 51.69 3hig n ASP 105 Cb 0.35 -1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 39.53 3hig n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hig s GLN 106 N -3.35 1.42 0.25 -0.67 -2.07 -1.26 -4.91 119.66 109.07 3hig s GLN 106 Ca 0.47 -0.78 -0.05 0.00 -1.82 0.00 0.00 55.36 53.18 3hig s GLN 106 Cb 0.26 0.55 0.33 0.00 -1.09 0.00 0.00 33.01 33.07 3hig s GLN 106 CO -0.20 -0.61 1.88 1.05 -1.32 0.00 0.00 175.29 176.09 3hig h GLU 107 N 2.12 1.11 -3.30 9.60 4.11 -1.95 -3.32 114.58 122.95 3hig h GLU 107 Ca -0.29 -0.07 -0.64 0.00 0.07 0.00 0.00 59.36 58.44 3hig h GLU 107 Cb 1.27 -0.25 -0.41 0.00 0.50 0.00 0.00 28.75 29.87 3hig h GLU 107 CO 0.35 0.73 -0.57 -1.01 0.07 0.00 0.00 179.01 178.59 3hig s HIS 108 N -6.07 3.35 0.47 2.06 3.76 -1.26 -5.09 115.29 112.51 3hig s HIS 108 Ca -0.13 -3.19 -0.24 0.00 -0.15 0.00 0.00 55.06 51.35 3hig s HIS 108 Cb 0.19 -2.84 -0.07 0.00 1.11 0.00 0.00 32.58 30.97 3hig s HIS 108 CO 0.81 -0.69 1.41 -2.14 -0.85 0.00 0.00 174.74 173.28 3hig s PRO 109 N -0.69 3.55 0.28 8.40 0.02 -1.25 -5.02 135.00 140.29 3hig s PRO 109 Ca 0.20 2.36 -0.07 0.00 0.02 0.00 0.00 61.00 63.51 3hig s PRO 109 Cb -0.18 -2.55 -0.01 0.00 0.02 0.00 0.00 34.50 31.78 3hig s PRO 109 CO -0.06 -0.91 0.43 0.54 -0.33 0.00 0.00 177.00 176.67 3hig s ASN 110 N -0.63 0.35 -0.12 2.53 2.20 -0.71 -4.39 114.94 114.18 3hig s ASN 110 Ca 0.64 -1.23 -0.01 0.00 -0.94 0.00 0.00 52.86 51.32 3hig s ASN 110 Cb -0.43 0.59 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 3hig s ASN 110 CO 0.54 -1.17 -0.09 -0.69 -2.94 0.00 0.00 177.10 172.74 3hig s VAL 111 N -3.61 3.41 0.01 3.54 1.01 -1.26 -0.39 120.40 123.11 3hig s VAL 111 Ca 0.28 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3hig s VAL 111 Cb 0.00 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3hig s VAL 111 CO 0.14 0.53 -0.12 -0.89 0.00 0.00 0.00 175.10 174.77 3hig s THR 112 N 0.06 0.94 -0.04 3.92 2.01 -0.77 -4.99 115.64 116.76 3hig s THR 112 Ca -0.03 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3hig s THR 112 Cb -0.14 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 3hig s THR 112 CO 0.04 0.11 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.46 3hig s GLU 113 N -0.67 2.83 0.06 4.92 2.02 -1.26 -1.33 118.70 125.26 3hig s GLU 113 Ca 0.02 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.55 3hig s GLU 113 Cb -0.06 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 3hig s GLU 113 CO 0.00 0.66 -0.20 -0.06 0.02 0.00 0.00 175.26 175.68 3hig s PHE 114 N -0.97 1.72 -0.31 1.61 0.40 0.44 0.21 117.98 121.09 3hig s PHE 114 Ca 0.16 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.88 3hig s PHE 114 Cb -0.11 -1.00 -0.00 0.00 0.51 0.00 0.00 43.02 42.41 3hig s PHE 114 CO 0.06 0.11 0.76 0.00 0.70 0.00 0.00 175.22 176.84 3hig s ALA 115 N -0.89 3.53 -0.17 5.36 0.00 0.19 -0.95 121.76 128.83 3hig s ALA 115 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 3hig s ALA 115 Cb -0.09 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3hig s ALA 115 CO 0.02 -1.19 -0.06 0.08 0.00 0.00 0.00 175.76 174.62 3hig s VAL 116 N 2.89 3.58 0.06 0.00 1.01 0.98 -0.69 120.40 128.23 3hig s VAL 116 Ca 0.31 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3hig s VAL 116 Cb -0.14 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.70 3hig s VAL 116 CO 0.12 0.48 0.47 0.61 0.00 0.00 0.00 175.10 176.78 3hig n GLY 117 N 3.92 0.90 3.87 4.51 0.00 -1.10 0.34 105.19 117.62 3hig n GLY 117 Ca -0.18 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3hig n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hig s PRO 118 N -2.02 0.68 -0.08 1.61 0.04 -1.26 0.48 135.00 134.45 3hig s PRO 118 Ca 0.10 -0.21 0.02 0.00 0.04 0.00 0.00 61.00 60.96 3hig s PRO 118 Cb -0.01 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.71 3hig s PRO 118 CO 0.02 -2.42 -0.15 -0.51 0.04 0.00 0.00 177.00 173.97 3hig s LEU 119 N -5.98 1.75 0.87 -3.56 1.43 -0.38 -1.68 118.68 111.13 3hig s LEU 119 Ca 0.71 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 3hig s LEU 119 Cb -0.07 -1.02 0.11 0.00 0.03 0.00 0.00 46.19 45.25 3hig s LEU 119 CO 0.53 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 176.10 3hig s PRO 120 N 0.68 1.48 -0.17 1.29 0.04 -1.26 -4.52 135.00 132.54 3hig s PRO 120 Ca -0.13 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 3hig s PRO 120 Cb -0.16 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 3hig s PRO 120 CO 0.04 -2.07 0.15 0.41 0.04 0.00 0.00 177.00 175.57 3hig n GLY 121 N -1.43 0.21 3.77 0.56 0.00 -1.24 -4.99 105.19 102.07 3hig n GLY 121 Ca 0.07 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3hig n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hig s PRO 122 N -3.17 4.00 0.00 1.61 0.04 -0.68 -4.11 135.00 132.70 3hig s PRO 122 Ca 0.05 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.25 3hig s PRO 122 Cb -0.01 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3hig s PRO 122 CO 0.13 -0.47 0.15 0.00 0.04 0.00 0.00 177.00 176.86 3hig s TYR 124 N 0.00 1.65 -0.32 0.00 -0.85 -0.37 -5.01 117.35 112.45 3hig s TYR 124 Ca 0.00 -0.88 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 3hig s TYR 124 Cb 0.00 -0.96 0.15 0.00 0.38 0.00 0.00 41.96 41.53 3hig s TYR 124 CO 0.00 0.02 0.37 1.41 -1.52 0.00 0.00 175.55 175.83 3hig s MET 125 N -3.84 0.48 -0.21 -3.49 1.75 -1.26 -2.72 119.30 110.02 3hig s MET 125 Ca 0.29 -0.34 -0.06 0.00 -1.25 0.00 0.00 55.69 54.33 3hig s MET 125 Cb 0.05 -0.56 -0.03 0.00 2.84 0.00 0.00 34.83 37.13 3hig s MET 125 CO 0.10 -1.10 0.02 1.03 -0.65 0.00 0.00 175.02 174.42 3hig s ARG 126 N 2.06 3.69 0.42 4.11 0.52 0.13 -4.91 118.95 124.96 3hig s ARG 126 Ca 0.12 -0.48 -0.26 0.00 -0.52 0.00 0.00 55.73 54.59 3hig s ARG 126 Cb -0.14 -3.15 -0.09 0.00 0.52 0.00 0.00 34.95 32.10 3hig s ARG 126 CO -0.21 0.02 1.33 0.00 0.02 0.00 0.00 175.30 176.47 3hig s ALA 127 N 1.00 3.25 0.11 2.13 0.00 -1.26 0.57 121.76 127.56 3hig s ALA 127 Ca 0.02 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.35 3hig s ALA 127 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3hig s ALA 127 CO 0.02 -0.92 -0.12 -0.51 0.00 0.00 0.00 175.76 174.23 3hig s LEU 128 N -2.51 2.94 -0.71 0.00 1.43 0.13 -4.82 118.68 115.15 3hig s LEU 128 Ca 0.58 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 3hig s LEU 128 Cb -0.39 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3hig s LEU 128 CO 0.51 0.17 0.63 -1.54 0.23 0.00 0.00 176.35 176.35 3hig n SER 129 N 0.70 -5.58 -4.76 2.29 3.41 -1.26 -4.57 113.62 103.85 3hig n SER 129 Ca -0.14 -0.57 -0.36 0.00 -0.26 0.00 0.00 58.87 57.54 3hig n SER 129 Cb 0.52 -2.38 0.02 0.00 -0.26 0.00 0.00 64.21 62.12 3hig n SER 129 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3hig s PRO 130 N -3.97 3.17 -0.53 4.33 0.04 -1.26 -4.98 135.00 131.80 3hig s PRO 130 Ca 0.10 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.95 3hig s PRO 130 Cb -0.01 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.68 3hig s PRO 130 CO 0.87 -1.03 0.37 1.03 0.04 0.00 0.00 177.00 178.27 3hig s ARG 131 N -3.25 1.57 0.22 4.56 0.52 -1.26 -5.11 118.95 116.21 3hig s ARG 131 Ca 0.75 -2.53 -0.31 0.00 -0.52 0.00 0.00 55.73 53.11 3hig s ARG 131 Cb -0.28 -2.39 -0.11 0.00 0.52 0.00 0.00 34.95 32.68 3hig s ARG 131 CO 0.32 -1.29 1.63 -2.14 0.02 0.00 0.00 175.30 173.84 3hig s PRO 132 N -0.41 4.15 0.00 3.54 0.02 -1.26 -1.93 135.00 139.12 3hig s PRO 132 Ca 0.26 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3hig s PRO 132 Cb -0.07 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3hig s PRO 132 CO -0.13 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 3hig n GLY 133 N 3.33 2.38 3.69 0.52 0.00 -1.26 -5.03 105.19 108.81 3hig n GLY 133 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3hig n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hig s TYR 134 N -2.25 3.50 -0.95 1.61 6.14 -0.81 -4.95 117.35 119.63 3hig s TYR 134 Ca 0.00 1.26 0.08 0.00 0.64 0.00 0.00 57.07 59.06 3hig s TYR 134 Cb 0.00 -2.92 0.11 0.00 0.42 0.00 0.00 41.96 39.57 3hig s TYR 134 CO 0.00 -0.09 0.89 1.04 0.64 0.00 0.00 175.55 178.03 3hig n GLN 135 N 4.54 0.94 -0.49 4.97 6.02 -1.26 -4.67 117.38 127.43 3hig n GLN 135 Ca 0.02 -1.26 0.08 0.00 -0.01 0.00 0.00 57.00 55.83 3hig n GLN 135 Cb 0.50 -1.17 0.27 0.00 1.02 0.00 0.00 30.24 30.86 3hig n GLN 135 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hig n SER 136 N 0.42 4.02 -0.24 1.08 7.64 -1.26 -4.70 113.62 120.58 3hig n SER 136 Ca 0.06 -3.03 0.05 0.00 1.01 0.00 0.00 58.87 56.96 3hig n SER 136 Cb 0.26 -0.56 0.17 0.00 -1.01 0.00 0.00 64.21 63.07 3hig n SER 136 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3hig h SER 137 N 1.97 -0.07 -0.15 6.43 0.87 -1.91 -1.25 113.55 119.44 3hig h SER 137 Ca 0.01 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3hig h SER 137 Cb 1.50 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.68 3hig h SER 137 CO 0.25 -0.07 -0.15 -0.25 -0.53 0.00 0.00 176.83 176.08 3hig h TRP 138 N 0.23 0.45 -0.05 2.24 2.91 -1.84 -2.65 115.95 117.23 3hig h TRP 138 Ca 0.40 -0.13 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 3hig h TRP 138 Cb 0.69 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.24 3hig h TRP 138 CO -0.29 0.76 -0.00 0.00 -1.03 0.00 0.00 178.44 177.87 3hig h ALA 139 N 0.62 1.91 0.00 2.65 0.00 -1.76 -2.57 119.26 120.10 3hig h ALA 139 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hig h ALA 139 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hig h ALA 139 CO 0.04 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 3hig n SER 140 N -4.49 0.52 -4.79 0.00 3.41 -0.51 -4.71 113.62 103.05 3hig n SER 140 Ca -0.02 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.83 3hig n SER 140 Cb 0.12 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 3hig n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hig s ARG 141 N -3.17 3.83 0.85 4.33 1.70 -0.97 -4.29 118.95 121.22 3hig s ARG 141 Ca 0.07 1.47 -0.13 0.00 -0.47 0.00 0.00 55.73 56.67 3hig s ARG 141 Cb 0.11 -2.22 0.04 0.00 -0.57 0.00 0.00 34.95 32.31 3hig s ARG 141 CO 0.44 -0.43 0.75 -2.30 -1.08 0.00 0.00 175.30 172.68 3hig n PRO 142 N -0.74 -0.03 -1.64 3.89 -0.02 -1.26 -4.89 135.00 130.31 3hig n PRO 142 Ca 0.08 0.05 -0.31 0.00 -2.02 0.00 0.00 63.50 61.31 3hig n PRO 142 Cb 0.51 -2.08 0.04 0.00 -0.02 0.00 0.00 33.50 31.95 3hig n PRO 142 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3hig s ILE 143 N -2.23 4.18 0.13 4.25 2.07 -1.26 -5.09 121.20 123.25 3hig s ILE 143 Ca 0.65 0.71 -0.00 0.00 -1.41 0.00 0.00 60.65 60.59 3hig s ILE 143 Cb -0.27 -3.51 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 3hig s ILE 143 CO 0.59 -0.92 0.03 -0.94 -1.91 0.00 0.00 174.94 171.79 3hig s SER 144 N -3.88 0.59 0.25 4.50 1.04 -1.26 -5.04 113.70 109.90 3hig s SER 144 Ca 0.57 -1.17 -0.03 0.00 0.48 0.00 0.00 55.95 55.80 3hig s SER 144 Cb -0.13 0.23 0.45 0.00 0.10 0.00 0.00 66.02 66.67 3hig s SER 144 CO 0.55 -0.67 1.79 0.74 0.98 0.00 0.00 173.24 176.63 3hig h THR 145 N 2.85 0.85 -0.34 2.02 2.02 -1.92 -1.74 112.91 116.65 3hig h THR 145 Ca -0.35 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 3hig h THR 145 Cb 1.19 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3hig h THR 145 CO 0.61 0.13 -0.08 0.00 0.37 0.00 0.00 175.52 176.56 3hig h ALA 146 N 1.49 1.23 -0.44 6.16 0.00 -1.89 -0.97 119.26 124.84 3hig h ALA 146 Ca 0.42 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3hig h ALA 146 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hig h ALA 146 CO -0.29 0.50 -0.19 1.49 0.00 0.00 0.00 179.25 180.76 3hig h GLU 147 N 0.53 0.91 -0.45 0.00 4.81 -1.72 -2.38 114.58 116.28 3hig h GLU 147 Ca 0.10 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3hig h GLU 147 Cb 0.46 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3hig h GLU 147 CO 0.02 1.04 0.25 1.88 -0.73 0.00 0.00 179.01 181.47 3hig h TYR 148 N 0.75 0.62 -0.86 0.92 0.05 -0.91 0.76 116.97 118.29 3hig h TYR 148 Ca 0.10 -0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.98 3hig h TYR 148 Cb 0.76 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 38.24 3hig h TYR 148 CO 0.05 0.47 0.56 0.00 -1.05 0.00 0.00 178.16 178.19 3hig h ALA 149 N 1.09 1.74 0.03 3.88 0.00 -1.09 -0.23 119.26 124.68 3hig h ALA 149 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 3hig h ALA 149 Cb 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hig h ALA 149 CO -0.03 0.07 -1.03 -0.07 0.00 0.00 0.00 179.25 178.19 3hig h LEU 150 N 0.78 0.59 -0.82 0.00 3.38 -0.87 -2.69 115.31 115.68 3hig h LEU 150 Ca 0.41 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hig h LEU 150 Cb 0.52 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3hig h LEU 150 CO -0.18 1.32 0.42 -0.07 0.09 0.00 0.00 178.44 180.02 3hig h LEU 151 N 0.23 1.05 -0.63 1.67 3.38 -0.29 -1.48 115.31 119.23 3hig h LEU 151 Ca -0.10 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3hig h LEU 151 Cb 1.68 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 3hig h LEU 151 CO 0.18 0.87 0.42 1.88 0.09 0.00 0.00 178.44 181.88 3hig h TYR 152 N 1.15 0.80 -0.57 1.13 0.05 -0.98 -0.04 116.97 118.51 3hig h TYR 152 Ca 0.28 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.11 3hig h TYR 152 Cb 0.07 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 3hig h TYR 152 CO 0.01 0.50 0.35 1.25 -1.05 0.00 0.00 178.16 179.22 3hig h HIS 153 N 0.86 0.66 -0.55 4.88 2.76 -1.11 0.14 115.15 122.79 3hig h HIS 153 Ca 0.23 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3hig h HIS 153 Cb -0.10 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 3hig h HIS 153 CO -0.03 0.38 0.34 1.15 -1.30 0.00 0.00 177.93 178.47 3hig h THR 154 N 0.70 1.16 -0.55 6.26 2.02 -0.67 -0.93 112.91 120.89 3hig h THR 154 Ca 0.23 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 3hig h THR 154 Cb 0.01 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3hig h THR 154 CO -0.09 0.16 -0.10 -0.07 0.37 0.00 0.00 175.52 175.78 3hig h LEU 155 N 0.74 1.04 -0.45 2.58 3.38 -0.49 0.11 115.31 122.22 3hig h LEU 155 Ca 0.20 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hig h LEU 155 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3hig h LEU 155 CO -0.04 1.15 0.25 1.56 0.09 0.00 0.00 178.44 181.45 3hig h GLN 156 N 0.92 0.62 0.02 1.13 4.20 -0.46 -0.18 115.11 121.37 3hig h GLN 156 Ca 0.14 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hig h GLN 156 Cb 0.68 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3hig h GLN 156 CO 0.05 0.48 -0.01 0.93 -0.67 0.00 0.00 178.83 179.61 3hig h GLU 157 N 0.59 -0.03 -0.14 1.46 4.39 -1.08 -3.25 114.58 116.52 3hig h GLU 157 Ca 0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3hig h GLU 157 Cb 0.04 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hig h GLU 157 CO -0.03 0.48 -0.12 0.00 -1.16 0.00 0.00 179.01 178.18 3hig h ALA 158 N 0.39 1.54 -0.20 3.43 0.00 -0.64 -2.74 119.26 121.04 3hig h ALA 158 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hig h ALA 158 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hig h ALA 158 CO 0.01 0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.83 3hig n THR 159 N -4.29 0.26 -0.35 0.00 -2.24 -0.09 -4.44 114.28 103.12 3hig n THR 159 Ca -0.01 -0.36 0.13 0.00 -2.27 0.00 0.00 64.05 61.53 3hig n THR 159 Cb 0.26 0.34 0.32 0.00 -2.10 0.00 0.00 70.33 69.15 3hig n THR 159 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hig h LYS 160 N 2.15 0.75 0.00 -0.78 1.57 -1.52 0.18 116.57 118.92 3hig h LYS 160 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hig h LYS 160 Cb 0.47 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3hig h LYS 160 CO 0.00 0.49 -0.02 -1.35 -0.57 0.00 0.00 179.45 178.01 3hig h PRO 161 N 0.77 0.00 -0.36 3.15 0.11 -1.85 -2.23 132.00 131.59 3hig h PRO 161 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3hig h PRO 161 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3hig h PRO 161 CO -0.36 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.72 3hig n LEU 162 N -3.25 2.00 -0.04 2.35 4.77 0.63 -4.55 117.00 118.92 3hig n LEU 162 Ca -0.02 -0.99 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 3hig n LEU 162 Cb 0.14 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3hig n LEU 162 CO 0.24 0.49 0.90 -0.74 -1.33 0.00 0.00 177.39 176.95 3hig h HIS 163 N 2.23 0.10 -0.51 -1.77 2.76 -1.42 0.22 115.15 116.77 3hig h HIS 163 Ca 0.00 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 3hig h HIS 163 Cb 0.51 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3hig h HIS 163 CO 0.24 0.05 -0.09 1.96 -1.30 0.00 0.00 177.93 178.78 3hig h GLN 164 N 0.15 0.97 -0.64 5.26 7.50 -1.85 -1.88 115.11 124.62 3hig h GLN 164 Ca 0.09 -0.35 0.09 0.00 0.50 0.00 0.00 58.65 58.97 3hig h GLN 164 Cb 0.07 -0.06 -0.07 0.00 0.05 0.00 0.00 27.48 27.46 3hig h GLN 164 CO -0.10 1.02 0.28 0.35 -1.50 0.00 0.00 178.83 178.88 3hig h PHE 165 N 0.83 0.50 -0.03 2.96 3.57 -1.75 0.01 116.94 123.03 3hig h PHE 165 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3hig h PHE 165 Cb 0.65 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 3hig h PHE 165 CO 0.05 0.16 0.02 0.74 -2.23 0.00 0.00 178.31 177.04 3hig h PHE 166 N 0.49 0.04 -0.21 0.41 0.04 -0.32 -0.96 116.94 116.44 3hig h PHE 166 Ca 0.32 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.08 3hig h PHE 166 Cb 0.35 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3hig h PHE 166 CO -0.14 0.12 0.13 -0.07 -0.60 0.00 0.00 178.31 177.75 3hig h LEU 167 N -0.05 0.25 -0.60 1.54 3.38 -1.08 0.57 115.31 119.32 3hig h LEU 167 Ca 0.01 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3hig h LEU 167 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hig h LEU 167 CO -0.00 0.22 -0.25 0.78 0.09 0.00 0.00 178.44 179.27 3hig h ASN 168 N 0.25 0.87 0.68 -0.43 4.21 -0.88 0.24 115.58 120.52 3hig h ASN 168 Ca 0.07 -0.33 -0.26 0.00 1.21 0.00 0.00 56.30 56.99 3hig h ASN 168 Cb 0.02 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.94 3hig h ASN 168 CO -0.01 1.07 -1.40 0.71 -1.29 0.00 0.00 177.43 176.51 3hig h THR 169 N 0.72 1.25 0.00 2.81 1.35 -1.08 -3.42 112.91 114.54 3hig h THR 169 Ca 0.09 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 3hig h THR 169 Cb 0.79 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3hig h THR 169 CO 0.07 0.75 -0.73 0.35 -0.25 0.00 0.00 175.52 175.71 3hig n THR 170 N -3.25 0.00 -0.90 6.82 -2.24 0.16 -0.43 114.28 114.45 3hig n THR 170 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3hig n THR 170 Cb 1.01 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3hig n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hig n GLY 171 N 1.91 0.55 3.56 3.38 0.00 0.07 -4.90 105.19 109.76 3hig n GLY 171 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3hig n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hig s PHE 172 N -2.51 2.40 0.23 1.61 0.40 -1.25 -4.91 117.98 113.94 3hig s PHE 172 Ca 0.00 -0.60 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 3hig s PHE 172 Cb 0.00 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 42.06 3hig s PHE 172 CO 0.00 0.49 0.52 -1.13 0.70 0.00 0.00 175.22 175.80 3hig n SER 173 N -0.84 -1.40 -0.47 1.36 3.41 -0.95 -3.60 113.62 111.13 3hig n SER 173 Ca -0.05 -1.94 0.12 0.00 -0.26 0.00 0.00 58.87 56.74 3hig n SER 173 Cb 0.65 2.32 0.11 0.00 -0.26 0.00 0.00 64.21 67.04 3hig n SER 173 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hig n PHE 174 N -0.36 0.00 -4.55 7.33 3.72 -1.26 -1.30 117.46 121.04 3hig n PHE 174 Ca -0.05 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.09 3hig n PHE 174 Cb 0.37 -0.03 -0.17 0.00 -0.94 0.00 0.00 39.48 38.72 3hig n PHE 174 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3hig s GLN 175 N -2.43 1.83 -1.47 -1.08 -0.21 -1.26 -4.71 119.66 110.32 3hig s GLN 175 Ca 0.21 -0.44 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 3hig s GLN 175 Cb 0.19 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.69 3hig s GLN 175 CO 0.53 0.00 0.39 -0.25 -2.12 0.00 0.00 175.29 173.84 3hig n ASP 176 N 3.93 -0.46 -0.10 5.90 8.00 -1.26 -4.88 116.55 127.69 3hig n ASP 176 Ca -0.21 -1.06 -0.11 0.00 0.71 0.00 0.00 54.79 54.12 3hig n ASP 176 Cb 0.52 -2.73 -0.15 0.00 -0.02 0.00 0.00 41.12 38.73 3hig n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hig n HIS 178 N -2.83 0.00 1.22 0.00 8.25 -1.26 -0.69 115.22 119.91 3hig n HIS 178 Ca -0.34 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.21 3hig n HIS 178 Cb 1.13 0.00 0.30 0.00 1.12 0.00 0.00 29.99 32.55 3hig n HIS 178 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3hig n ASP 179 N 10.77 1.51 -3.07 0.41 5.75 -1.26 -4.31 116.55 126.35 3hig n ASP 179 Ca 0.00 -1.79 -0.21 0.00 -0.01 0.00 0.00 54.79 52.78 3hig n ASP 179 Cb 0.00 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3hig n ASP 179 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hig n ARG 180 N 0.25 1.85 -4.02 0.11 1.74 0.13 -4.98 116.66 111.74 3hig n ARG 180 Ca 0.14 -3.94 -0.36 0.00 -0.77 0.00 0.00 57.85 52.92 3hig n ARG 180 Cb 0.28 -1.90 -0.07 0.00 -1.02 0.00 0.00 32.46 29.75 3hig n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hig s LEU 182 N -0.94 3.71 0.30 0.00 1.43 -0.42 -0.93 118.68 121.83 3hig s LEU 182 Ca 0.14 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 3hig s LEU 182 Cb -0.12 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 3hig s LEU 182 CO 0.03 -0.98 0.12 0.00 0.23 0.00 0.00 176.35 175.76 3hig s ALA 183 N -2.11 2.01 0.04 4.21 0.00 0.76 -4.76 121.76 121.92 3hig s ALA 183 Ca 0.67 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.90 3hig s ALA 183 Cb -0.17 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3hig s ALA 183 CO 0.27 -0.45 -0.12 -0.59 0.00 0.00 0.00 175.76 174.87 3hig s PHE 184 N -3.59 1.00 -0.24 0.00 -0.71 -1.26 -0.13 117.98 113.04 3hig s PHE 184 Ca 0.35 -0.39 -0.06 0.00 -1.04 0.00 0.00 56.93 55.79 3hig s PHE 184 Cb 0.06 -0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 3hig s PHE 184 CO 0.16 0.00 0.03 0.99 -1.34 0.00 0.00 175.22 175.06 3hig s THR 185 N -1.03 3.94 0.50 -4.49 2.01 -0.22 -4.92 115.64 111.42 3hig s THR 185 Ca -0.02 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 3hig s THR 185 Cb -0.08 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 3hig s THR 185 CO 0.01 0.36 0.86 1.51 -0.69 0.00 0.00 174.62 176.67 3hig s ASP 186 N 1.56 6.37 0.08 3.53 -4.77 -1.26 -0.45 116.67 121.72 3hig s ASP 186 Ca 0.06 1.18 0.09 0.00 -3.30 0.00 0.00 52.55 50.58 3hig s ASP 186 Cb -0.15 -2.35 -0.03 0.00 -1.09 0.00 0.00 42.92 39.30 3hig s ASP 186 CO 0.01 -0.60 -0.24 -0.69 0.70 0.00 0.00 175.17 174.35 3hig s VAL 187 N -2.73 2.00 0.06 2.11 1.01 -0.88 -4.95 120.40 117.03 3hig s VAL 187 Ca 0.52 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3hig s VAL 187 Cb -0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3hig s VAL 187 CO 0.42 0.18 -0.07 0.00 0.00 0.00 0.00 175.10 175.63 3hig s ALA 188 N -0.93 0.72 0.94 5.51 0.00 -1.26 -4.46 121.76 122.27 3hig s ALA 188 Ca 0.11 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3hig s ALA 188 Cb -0.10 0.09 0.16 0.00 0.00 0.00 0.00 23.12 23.27 3hig s ALA 188 CO 0.03 -0.11 1.17 -1.25 0.00 0.00 0.00 175.76 175.60 3hig s PRO 189 N -2.48 0.90 -0.70 0.00 0.04 -1.25 -1.41 135.00 130.09 3hig s PRO 189 Ca -0.01 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.18 3hig s PRO 189 Cb -0.04 -1.83 0.28 0.00 0.04 0.00 0.00 34.50 32.95 3hig s PRO 189 CO -0.02 -2.33 0.92 0.54 0.04 0.00 0.00 177.00 176.16 3hig n ARG 190 N -3.82 3.04 0.00 4.56 1.74 -1.26 -4.87 116.66 116.05 3hig n ARG 190 Ca 0.09 -4.70 0.00 0.00 -0.77 0.00 0.00 57.85 52.47 3hig n ARG 190 Cb 0.60 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3hig n ARG 190 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hig n GLY 191 N 0.64 0.90 0.00 -0.13 0.00 -0.89 -0.55 105.19 105.16 3hig n GLY 191 Ca 0.30 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3hig n GLY 191 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hig n VAL 192 N 7.25 0.00 -3.46 1.61 0.24 -1.26 -5.04 118.33 117.68 3hig n VAL 192 Ca 0.00 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 3hig n VAL 192 Cb 0.00 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 3hig n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hig s ALA 193 N -0.33 -1.54 0.13 2.33 0.00 -1.26 -5.09 121.76 115.99 3hig s ALA 193 Ca 0.00 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.15 3hig s ALA 193 Cb 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 23.12 23.75 3hig s ALA 193 CO 0.00 -0.71 1.65 0.45 0.00 0.00 0.00 175.76 177.16 3hig n SER 194 N -0.20 3.31 0.00 0.00 2.88 -1.26 -2.35 113.62 116.00 3hig n SER 194 Ca -0.17 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 3hig n SER 194 Cb 0.64 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 3hig n SER 194 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hig n GLY 195 N 3.67 1.86 3.83 0.46 0.00 -1.26 -5.00 105.19 108.75 3hig n GLY 195 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hig n GLY 195 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hig s GLN 196 N -0.77 4.15 -0.42 1.61 -0.21 -0.99 -4.76 119.66 118.27 3hig s GLN 196 Ca 0.00 0.96 0.07 0.00 0.02 0.00 0.00 55.36 56.41 3hig s GLN 196 Cb 0.00 -2.29 0.22 0.00 1.00 0.00 0.00 33.01 31.95 3hig s GLN 196 CO 0.00 0.05 0.48 -2.13 -2.12 0.00 0.00 175.29 171.56 3hig n ARG 197 N -0.51 0.70 -3.93 2.91 0.63 -1.18 -4.75 116.66 110.53 3hig n ARG 197 Ca 0.06 -3.34 -0.30 0.00 -0.92 0.00 0.00 57.85 53.35 3hig n ARG 197 Cb 0.54 -1.45 -0.15 0.00 0.45 0.00 0.00 32.46 31.84 3hig n ARG 197 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hig s ARG 198 N -0.89 1.51 -0.14 -0.14 0.52 0.29 -1.14 118.95 118.96 3hig s ARG 198 Ca 0.34 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.48 3hig s ARG 198 Cb 0.12 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.99 3hig s ARG 198 CO -0.13 -0.66 -0.11 -1.12 0.02 0.00 0.00 175.30 173.29 3hig s SER 199 N 1.38 4.13 0.06 0.23 0.01 -0.08 -2.10 113.70 117.33 3hig s SER 199 Ca -0.03 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 3hig s SER 199 Cb -0.19 -1.64 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 3hig s SER 199 CO -0.08 0.15 1.06 0.26 0.41 0.00 0.00 173.24 175.03 3hig s TRP 200 N 0.46 3.61 -0.12 2.43 0.52 -1.26 -1.16 118.94 123.42 3hig s TRP 200 Ca -0.08 1.59 0.03 0.00 0.02 0.00 0.00 56.10 57.65 3hig s TRP 200 Cb -0.15 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 3hig s TRP 200 CO 0.04 -0.42 -0.22 -0.51 0.02 0.00 0.00 176.95 175.86 3hig s LEU 201 N 0.67 2.17 -0.29 2.99 1.43 0.62 -2.07 118.68 124.21 3hig s LEU 201 Ca 0.53 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.88 3hig s LEU 201 Cb -0.25 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3hig s LEU 201 CO 0.30 0.12 0.56 -0.63 0.23 0.00 0.00 176.35 176.93 3hig s ILE 202 N 0.57 5.01 0.05 -0.59 1.01 0.40 -1.25 121.20 126.39 3hig s ILE 202 Ca -0.13 0.80 -0.27 0.00 0.00 0.00 0.00 60.65 61.06 3hig s ILE 202 Cb -0.17 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 3hig s ILE 202 CO 0.04 -0.05 0.84 -0.63 0.00 0.00 0.00 174.94 175.13 3hig s ILE 203 N 2.45 4.69 0.10 2.92 -1.09 -0.73 -1.06 121.20 128.48 3hig s ILE 203 Ca 0.23 1.79 0.03 0.00 -2.23 0.00 0.00 60.65 60.46 3hig s ILE 203 Cb -0.15 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 3hig s ILE 203 CO 0.11 0.33 -0.08 -1.10 -1.23 0.00 0.00 174.94 172.96 3hig s GLN 204 N 0.09 0.86 -0.11 2.79 -0.21 0.82 -1.34 119.66 122.56 3hig s GLN 204 Ca 0.42 -1.29 -0.26 0.00 0.02 0.00 0.00 55.36 54.25 3hig s GLN 204 Cb -0.21 -0.36 -0.02 0.00 1.00 0.00 0.00 33.01 33.42 3hig s GLN 204 CO 0.25 0.02 0.84 1.03 -2.12 0.00 0.00 175.29 175.31 3hig s ARG 205 N -3.47 4.39 -1.15 2.91 0.52 -0.48 -0.17 118.95 121.51 3hig s ARG 205 Ca 0.10 1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 56.21 3hig s ARG 205 Cb 0.02 -3.52 0.10 0.00 0.52 0.00 0.00 34.95 32.07 3hig s ARG 205 CO -0.02 -0.18 1.50 -0.47 0.02 0.00 0.00 175.30 176.14 3hig s TYR 206 N 1.59 2.94 0.42 -0.53 5.04 -0.11 -4.63 117.35 122.08 3hig s TYR 206 Ca 0.41 -1.50 0.01 0.00 -2.44 0.00 0.00 57.07 53.55 3hig s TYR 206 Cb -0.18 -4.57 -0.00 0.00 0.35 0.00 0.00 41.96 37.56 3hig s TYR 206 CO 0.17 -1.70 0.04 1.33 -1.34 0.00 0.00 175.55 174.05 3hig n VAL 207 N 5.97 0.00 -1.67 3.14 0.24 -1.26 -4.61 118.33 120.13 3hig n VAL 207 Ca 0.38 -2.11 -0.48 0.00 -2.04 0.00 0.00 64.34 60.09 3hig n VAL 207 Cb 0.47 0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 33.31 3hig n VAL 207 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3hig n GLU 208 N -1.03 2.08 -3.28 7.34 2.13 -1.26 -1.43 120.64 125.19 3hig n GLU 208 Ca -0.15 0.76 -0.17 0.00 0.66 0.00 0.00 57.16 58.26 3hig n GLU 208 Cb 0.56 -2.55 0.07 0.00 0.27 0.00 0.00 31.44 29.78 3hig n GLU 208 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hig n GLY 209 N 3.89 -0.23 0.35 8.31 0.00 -1.26 -4.57 105.19 111.68 3hig n GLY 209 Ca 0.20 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.42 3hig n GLY 209 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3hig h TYR 210 N -1.90 0.00 -0.81 1.61 -0.00 -1.50 -2.28 116.97 112.09 3hig h TYR 210 Ca -0.46 0.00 0.20 0.00 0.00 0.00 0.00 58.73 58.47 3hig h TYR 210 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.97 3hig h TYR 210 CO 0.38 0.00 0.56 0.74 -0.00 0.00 0.00 178.16 179.84 3hig h PHE 211 N 0.00 0.26 -0.53 0.10 -1.00 -1.88 -1.60 116.94 112.29 3hig h PHE 211 Ca 0.04 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3hig h PHE 211 Cb 0.69 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.17 3hig h PHE 211 CO 0.00 0.08 0.00 1.28 -1.61 0.00 0.00 178.31 178.06 3hig n LEU 212 N -4.41 4.68 -2.68 1.54 4.77 -0.86 -4.53 117.00 115.52 3hig n LEU 212 Ca 0.17 -2.37 -0.24 0.00 -0.03 0.00 0.00 56.01 53.53 3hig n LEU 212 Cb 0.74 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3hig n LEU 212 CO 0.35 0.64 0.11 1.41 -1.33 0.00 0.00 177.39 178.57 3hig n HIS 213 N 0.73 3.09 -2.15 -1.77 8.25 -0.60 -4.91 115.22 117.85 3hig n HIS 213 Ca 0.23 -3.38 -0.38 0.00 -0.26 0.00 0.00 57.72 53.94 3hig n HIS 213 Cb 0.94 -0.26 -0.00 0.00 1.12 0.00 0.00 29.99 31.79 3hig n HIS 213 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hig s PRO 214 N -3.39 3.72 0.07 -0.41 0.04 -1.26 -1.38 135.00 132.39 3hig s PRO 214 Ca 0.45 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.63 3hig s PRO 214 Cb 0.37 -2.46 0.10 0.00 0.04 0.00 0.00 34.50 32.55 3hig s PRO 214 CO -0.14 -0.62 1.07 0.25 0.04 0.00 0.00 177.00 177.60 3hig n THR 215 N -0.43 0.24 0.00 1.26 -2.24 -0.45 -4.86 114.28 107.80 3hig n THR 215 Ca 0.07 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3hig n THR 215 Cb 0.47 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3hig n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hig n GLY 216 N 1.34 0.50 3.81 3.38 0.00 -1.26 -4.96 105.19 108.00 3hig n GLY 216 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3hig n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hig s LEU 217 N 0.00 4.28 0.02 0.99 2.96 -1.26 -1.32 118.68 124.34 3hig s LEU 217 Ca 0.00 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 3hig s LEU 217 Cb 0.00 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 3hig s LEU 217 CO 0.00 0.31 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.62 3hig s GLU 218 N -0.45 0.81 -0.04 1.98 2.02 0.14 -1.77 118.70 121.39 3hig s GLU 218 Ca 0.12 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 54.59 3hig s GLU 218 Cb -0.12 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.34 3hig s GLU 218 CO 0.02 0.20 -0.12 -0.51 0.02 0.00 0.00 175.26 174.87 3hig s LEU 219 N -0.72 1.77 -0.30 1.80 1.43 -0.38 -0.84 118.68 121.43 3hig s LEU 219 Ca 0.01 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 3hig s LEU 219 Cb -0.06 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 3hig s LEU 219 CO 0.00 0.08 0.34 -0.22 0.23 0.00 0.00 176.35 176.79 3hig s LEU 220 N 0.28 4.22 -0.17 1.79 2.96 -0.53 -0.27 118.68 126.96 3hig s LEU 220 Ca -0.06 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3hig s LEU 220 Cb -0.11 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 3hig s LEU 220 CO 0.02 -0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.04 3hig s VAL 221 N 2.01 3.37 -0.41 1.68 1.01 -0.31 -0.57 120.40 127.19 3hig s VAL 221 Ca 0.12 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3hig s VAL 221 Cb -0.16 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3hig s VAL 221 CO 0.11 0.48 0.87 -0.62 0.00 0.00 0.00 175.10 175.94 3hig s ASP 222 N 0.76 6.55 -0.24 3.32 -1.08 0.11 -0.91 116.67 125.18 3hig s ASP 222 Ca -0.03 0.27 0.12 0.00 -0.52 0.00 0.00 52.55 52.39 3hig s ASP 222 Cb -0.15 -2.43 0.45 0.00 -1.46 0.00 0.00 42.92 39.34 3hig s ASP 222 CO 0.02 -0.90 1.18 0.00 0.52 0.00 0.00 175.17 175.99 3hig n HIS 223 N 6.81 1.55 -0.10 -5.34 1.44 -0.29 -2.67 115.22 116.63 3hig n HIS 223 Ca 0.05 -1.87 -0.13 0.00 -2.01 0.00 0.00 57.72 53.76 3hig n HIS 223 Cb 0.48 -0.28 -0.01 0.00 0.12 0.00 0.00 29.99 30.30 3hig n HIS 223 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3hig h GLY 224 N 1.84 0.97 -3.29 -1.39 0.00 -1.91 -3.46 103.07 95.83 3hig h GLY 224 Ca 0.14 -1.03 -0.54 0.00 0.00 0.00 0.00 47.33 45.91 3hig h GLY 224 CO 0.41 0.93 0.66 -0.45 0.00 0.00 0.00 176.54 178.08 3hig s SER 225 N -6.87 5.90 0.00 0.19 0.15 -1.26 -4.91 113.70 106.90 3hig s SER 225 Ca -0.11 2.80 0.18 0.00 0.70 0.00 0.00 55.95 59.53 3hig s SER 225 Cb 0.11 -2.64 0.83 0.00 -1.71 0.00 0.00 66.02 62.61 3hig s SER 225 CO 0.88 -1.15 1.57 0.35 1.20 0.00 0.00 173.24 176.09 3hig n THR 226 N -0.26 0.64 -3.47 6.45 -2.24 -1.26 -4.39 114.28 109.74 3hig n THR 226 Ca 0.06 0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.57 3hig n THR 226 Cb 0.43 -0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 3hig n THR 226 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hig s ASP 227 N -2.83 5.92 0.64 3.42 -1.08 -1.26 -3.59 116.67 117.90 3hig s ASP 227 Ca 0.12 -1.53 0.40 0.00 -0.52 0.00 0.00 52.55 51.02 3hig s ASP 227 Cb 0.12 -2.10 2.23 0.00 -1.46 0.00 0.00 42.92 41.71 3hig s ASP 227 CO 0.31 -0.65 2.33 0.00 0.52 0.00 0.00 175.17 177.68 3hig h ALA 228 N 8.62 1.16 -0.28 3.66 0.00 -1.98 0.19 119.26 130.63 3hig h ALA 228 Ca -0.26 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3hig h ALA 228 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hig h ALA 228 CO 0.86 0.00 0.24 0.78 0.00 0.00 0.00 179.25 181.13 3hig h GLY 229 N 0.06 0.00 0.86 0.00 0.00 -1.95 -1.94 103.07 100.11 3hig h GLY 229 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hig h GLY 229 CO 0.00 0.00 -0.11 1.42 0.00 0.00 0.00 176.54 177.85 3hig n HIS 230 N -4.09 0.00 -2.34 5.60 8.25 0.06 -4.95 115.22 117.75 3hig n HIS 230 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 3hig n HIS 230 Cb 0.39 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3hig n HIS 230 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hig s TRP 231 N -2.47 3.32 0.02 4.41 0.51 -0.73 -4.99 118.94 119.00 3hig s TRP 231 Ca 0.29 1.59 0.01 0.00 -2.12 0.00 0.00 56.10 55.86 3hig s TRP 231 Cb 0.20 -3.41 -0.01 0.00 -0.81 0.00 0.00 33.47 29.44 3hig s TRP 231 CO 0.47 -1.07 -0.04 0.00 -0.51 0.00 0.00 176.95 175.80 3hig s ALA 232 N -1.23 0.26 -0.27 0.98 0.00 -1.09 -4.98 121.76 115.43 3hig s ALA 232 Ca 0.49 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 3hig s ALA 232 Cb -0.33 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3hig s ALA 232 CO 0.43 -0.04 1.40 0.08 0.00 0.00 0.00 175.76 177.64 3hig s VAL 233 N -0.87 4.00 -1.27 0.00 1.01 -1.26 -0.71 120.40 121.30 3hig s VAL 233 Ca -0.08 1.13 0.19 0.00 0.00 0.00 0.00 61.98 63.22 3hig s VAL 233 Cb -0.06 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 3hig s VAL 233 CO -0.00 -0.41 0.88 -1.84 0.00 0.00 0.00 175.10 173.73 3hig n GLU 234 N 7.42 1.04 -3.56 2.72 0.28 0.27 -4.93 120.64 123.87 3hig n GLU 234 Ca 0.16 -0.38 -0.13 0.00 -0.16 0.00 0.00 57.16 56.65 3hig n GLU 234 Cb 0.46 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.88 3hig n GLU 234 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3hig s GLN 235 N -2.56 0.73 -0.01 3.44 2.00 -1.23 -4.84 119.66 117.19 3hig s GLN 235 Ca 0.11 0.21 0.02 0.00 -2.00 0.00 0.00 55.36 53.70 3hig s GLN 235 Cb 0.15 0.35 0.00 0.00 0.80 0.00 0.00 33.01 34.31 3hig s GLN 235 CO 0.66 -0.22 -0.05 0.08 -0.50 0.00 0.00 175.29 175.26 3hig s VAL 236 N -1.05 0.48 -0.07 1.34 1.01 -1.26 -1.45 120.40 119.40 3hig s VAL 236 Ca -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3hig s VAL 236 Cb -0.01 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3hig s VAL 236 CO 0.04 0.16 -0.16 0.86 0.00 0.00 0.00 175.10 176.00 3hig s TRP 237 N 0.15 1.80 -0.04 5.22 -0.00 -0.02 -0.67 118.94 125.38 3hig s TRP 237 Ca -0.02 -0.69 -0.01 0.00 -0.00 0.00 0.00 56.10 55.39 3hig s TRP 237 Cb -0.06 -1.27 0.03 0.00 -0.00 0.00 0.00 33.47 32.17 3hig s TRP 237 CO -0.00 -0.31 0.02 -0.47 -0.00 0.00 0.00 176.95 176.19 3hig s TYR 238 N 0.53 0.31 -1.48 5.86 5.04 -0.05 -0.69 117.35 126.87 3hig s TYR 238 Ca -0.15 0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 3hig s TYR 238 Cb -0.16 -0.51 0.00 0.00 0.35 0.00 0.00 41.96 41.64 3hig s TYR 238 CO 0.05 -0.19 0.17 -1.71 -1.34 0.00 0.00 175.55 172.53 3hig n ASN 239 N 4.72 0.14 0.00 4.32 5.15 -0.44 -1.78 115.26 127.38 3hig n ASN 239 Ca -0.15 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.62 3hig n ASN 239 Cb 0.50 -2.00 0.00 0.00 -0.53 0.00 0.00 39.78 37.75 3hig n ASN 239 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hig n GLY 240 N -2.38 0.82 3.23 8.20 0.00 -1.26 -4.99 105.19 108.81 3hig n GLY 240 Ca -0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3hig n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hig s LYS 241 N -0.60 1.19 0.13 1.61 -0.14 -0.73 -5.15 119.74 116.05 3hig s LYS 241 Ca 0.00 -0.96 -0.18 0.00 -1.36 0.00 0.00 55.97 53.48 3hig s LYS 241 Cb 0.00 -1.31 -0.07 0.00 -1.68 0.00 0.00 37.83 34.77 3hig s LYS 241 CO 0.00 0.32 0.59 -0.06 -0.76 0.00 0.00 175.35 175.44 3hig s PHE 242 N -0.93 3.71 0.00 3.18 0.08 -1.26 -0.87 117.98 121.89 3hig s PHE 242 Ca 0.05 1.22 0.00 0.00 0.12 0.00 0.00 56.93 58.32 3hig s PHE 242 Cb -0.09 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 3hig s PHE 242 CO 0.02 0.49 0.29 0.66 -0.10 0.00 0.00 175.22 176.58 3hig n TYR 243 N 1.21 0.00 0.00 0.36 4.01 0.16 -4.98 117.16 117.92 3hig n TYR 243 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3hig n TYR 243 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3hig n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hig n GLY 244 N 0.02 1.65 3.49 2.72 0.00 -1.26 -4.31 105.19 107.50 3hig n GLY 244 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3hig n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hig s SER 245 N 0.00 -0.19 0.33 1.61 1.04 -1.26 -3.96 113.70 111.27 3hig s SER 245 Ca 0.00 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.86 3hig s SER 245 Cb 0.00 0.55 0.56 0.00 0.10 0.00 0.00 66.02 67.23 3hig s SER 245 CO 0.00 -1.02 1.99 -0.65 0.98 0.00 0.00 173.24 174.54 3hig h PRO 246 N 2.27 0.93 -0.65 4.02 0.11 -1.87 -2.00 132.00 134.82 3hig h PRO 246 Ca -0.29 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3hig h PRO 246 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3hig h PRO 246 CO 0.40 0.62 0.36 0.93 -0.21 0.00 0.00 178.00 180.09 3hig h GLU 247 N 0.96 0.90 -0.40 1.05 3.07 -1.94 -1.01 114.58 117.21 3hig h GLU 247 Ca 0.26 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 3hig h GLU 247 Cb -0.10 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 3hig h GLU 247 CO -0.06 0.67 -0.17 1.49 -1.40 0.00 0.00 179.01 179.54 3hig h GLU 248 N 0.88 0.82 -0.69 2.33 4.81 -1.67 -1.38 114.58 119.68 3hig h GLU 248 Ca 0.23 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3hig h GLU 248 Cb 0.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3hig h GLU 248 CO -0.04 0.98 0.40 1.25 -0.73 0.00 0.00 179.01 180.87 3hig h LEU 249 N 0.63 0.85 -0.28 1.64 5.85 -1.27 -1.78 115.31 120.95 3hig h LEU 249 Ca 0.09 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3hig h LEU 249 Cb 0.72 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3hig h LEU 249 CO 0.05 0.68 0.10 0.00 -0.34 0.00 0.00 178.44 178.94 3hig h ALA 250 N 1.20 0.32 -0.30 1.25 0.00 -0.97 -0.70 119.26 120.05 3hig h ALA 250 Ca 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hig h ALA 250 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hig h ALA 250 CO -0.04 -0.30 0.07 0.07 0.00 0.00 0.00 179.25 179.05 3hig h ARG 251 N 0.23 0.49 -0.57 0.00 -0.00 -1.10 -0.53 114.38 112.91 3hig h ARG 251 Ca 0.12 -0.12 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 3hig h ARG 251 Cb 0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 29.96 3hig h ARG 251 CO -0.12 0.57 0.24 0.87 -0.00 0.00 0.00 179.97 181.53 3hig h LYS 252 N 0.33 0.81 0.24 0.08 1.57 -1.25 0.18 116.57 118.54 3hig h LYS 252 Ca 0.10 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3hig h LYS 252 Cb 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hig h LYS 252 CO 0.00 0.65 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.50 3hig h TYR 253 N 0.81 -0.30 -0.96 -1.35 3.20 -0.84 0.35 116.97 117.87 3hig h TYR 253 Ca 0.20 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 3hig h TYR 253 Cb 0.13 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.43 3hig h TYR 253 CO 0.01 -0.13 0.61 0.00 -1.64 0.00 0.00 178.16 177.01 3hig h ALA 254 N 0.33 1.53 -0.02 1.82 0.00 -0.46 -1.00 119.26 121.46 3hig h ALA 254 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hig h ALA 254 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hig h ALA 254 CO 0.06 0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 3hig n ASP 255 N -4.54 0.34 -0.16 0.00 8.00 0.58 -4.89 116.55 115.88 3hig n ASP 255 Ca 0.16 -1.34 -0.02 0.00 0.71 0.00 0.00 54.79 54.30 3hig n ASP 255 Cb 0.28 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 3hig n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hig n GLY 256 N 0.93 0.44 1.56 0.44 0.00 -0.38 -4.95 105.19 103.22 3hig n GLY 256 Ca 0.18 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3hig n GLY 256 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hig n GLU 257 N -2.32 2.16 -4.49 1.61 1.02 0.12 -4.95 120.64 113.79 3hig n GLU 257 Ca -0.02 -3.11 -0.23 0.00 -0.02 0.00 0.00 57.16 53.79 3hig n GLU 257 Cb 0.22 -1.96 -0.16 0.00 -0.02 0.00 0.00 31.44 29.51 3hig n GLU 257 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hig s VAL 258 N -3.23 0.97 -0.57 2.62 1.01 -1.25 -4.83 120.40 115.12 3hig s VAL 258 Ca 0.49 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 3hig s VAL 258 Cb 0.43 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.95 3hig s VAL 258 CO 0.05 0.31 1.29 -0.62 0.00 0.00 0.00 175.10 176.12 3hig s ASP 259 N 0.46 6.32 -0.14 3.32 2.15 -1.26 -4.99 116.67 122.53 3hig s ASP 259 Ca -0.09 0.20 -0.10 0.00 0.43 0.00 0.00 52.55 52.99 3hig s ASP 259 Cb -0.13 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.90 3hig s ASP 259 CO 0.02 -1.57 0.19 -0.69 -0.17 0.00 0.00 175.17 172.94 3hig s VAL 260 N 5.40 5.40 -0.33 1.11 1.01 -1.26 -4.87 120.40 126.86 3hig s VAL 260 Ca 0.47 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 3hig s VAL 260 Cb -0.09 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3hig s VAL 260 CO 0.25 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.31 3hig s VAL 261 N -0.37 4.11 -0.16 2.92 1.01 -1.26 -5.07 120.40 121.58 3hig s VAL 261 Ca 0.14 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 3hig s VAL 261 Cb -0.12 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3hig s VAL 261 CO 0.03 -0.08 0.81 -0.69 0.00 0.00 0.00 175.10 175.16 3hig s VAL 262 N 1.49 4.91 0.00 2.92 1.01 -1.26 -4.83 120.40 124.64 3hig s VAL 262 Ca 0.01 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3hig s VAL 262 Cb -0.18 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3hig s VAL 262 CO 0.04 0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.38 3hig n LEU 263 N 5.04 0.00 -3.63 3.92 4.77 0.43 -5.04 117.00 122.49 3hig n LEU 263 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 3hig n LEU 263 Cb 0.49 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.42 3hig n LEU 263 CO 0.48 0.00 -0.34 -0.70 -1.33 0.00 0.00 177.39 175.50 3hig s GLU 278 N 0.39 0.24 0.79 3.23 2.12 -1.26 -4.88 118.70 119.32 3hig s GLU 278 Ca 0.00 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 54.96 3hig s GLU 278 Cb 0.00 -1.82 0.07 0.00 0.26 0.00 0.00 34.13 32.64 3hig s GLU 278 CO 0.00 -0.72 1.15 -1.25 -0.54 0.00 0.00 175.26 173.90 3hig s PRO 279 N 2.05 1.92 0.75 4.30 0.04 -1.26 -4.97 135.00 137.83 3hig s PRO 279 Ca 0.02 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 3hig s PRO 279 Cb -0.16 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.59 3hig s PRO 279 CO -0.13 -1.95 1.22 -2.30 0.04 0.00 0.00 177.00 173.88 3hig n PRO 280 N -3.32 0.51 -1.72 0.56 -0.02 -1.26 -4.97 135.00 124.78 3hig n PRO 280 Ca 0.12 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3hig n PRO 280 Cb 0.52 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3hig n PRO 280 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hig n LEU 281 N -2.74 4.46 0.27 2.45 7.94 -1.26 -4.91 117.00 123.20 3hig n LEU 281 Ca 0.14 1.11 0.14 0.00 -1.11 0.00 0.00 56.01 56.30 3hig n LEU 281 Cb 0.50 -1.54 0.85 0.00 0.53 0.00 0.00 43.42 43.75 3hig n LEU 281 CO 0.48 -0.46 1.12 2.19 -1.11 0.00 0.00 177.39 179.61 3hig h PHE 282 N 2.16 0.00 -0.02 1.96 -5.15 -1.95 -1.25 116.94 112.68 3hig h PHE 282 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 3hig h PHE 282 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 3hig h PHE 282 CO 0.48 0.00 0.00 -1.13 -2.00 0.00 0.00 178.31 175.66 3hig n SER 283 N -3.98 0.57 -4.89 -0.68 3.41 -1.26 -4.01 113.62 102.78 3hig n SER 283 Ca -0.02 -1.26 -0.30 0.00 -0.26 0.00 0.00 58.87 57.03 3hig n SER 283 Cb 0.13 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 3hig n SER 283 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hig s SER 284 N -1.90 6.52 0.00 4.04 0.15 -0.48 -4.23 113.70 117.80 3hig s SER 284 Ca 0.41 0.82 0.29 0.00 0.70 0.00 0.00 55.95 58.17 3hig s SER 284 Cb 0.20 -2.19 1.33 0.00 -1.71 0.00 0.00 66.02 63.65 3hig s SER 284 CO 0.33 -0.16 1.93 1.41 1.20 0.00 0.00 173.24 177.94 3hig n HIS 285 N -0.65 0.00 -1.72 3.44 8.25 -1.26 -4.67 115.22 118.62 3hig n HIS 285 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3hig n HIS 285 Cb 0.53 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 3hig n HIS 285 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hig n LYS 286 N -1.10 2.48 -1.75 -0.41 5.02 -1.26 -4.91 118.16 116.23 3hig n LYS 286 Ca 0.14 0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 56.90 3hig n LYS 286 Cb 0.26 -2.63 -0.01 0.00 -0.02 0.00 0.00 35.03 32.63 3hig n LYS 286 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hig n PRO 287 N 2.30 2.66 -3.98 1.97 -0.02 -1.26 -4.91 135.00 131.76 3hig n PRO 287 Ca 0.10 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.43 3hig n PRO 287 Cb 0.35 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 31.06 3hig n PRO 287 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3hig s ARG 288 N -0.97 1.29 0.00 -0.52 3.03 -1.26 -4.88 118.95 115.64 3hig s ARG 288 Ca 0.61 -1.22 0.00 0.00 2.03 0.00 0.00 55.73 57.15 3hig s ARG 288 Cb -0.50 0.40 0.00 0.00 -1.03 0.00 0.00 34.95 33.83 3hig s ARG 288 CO 0.53 -0.49 0.00 0.41 -1.13 0.00 0.00 175.30 174.62 3hig n GLY 289 N -0.28 -1.61 2.93 3.88 0.00 -1.26 -4.99 105.19 103.85 3hig n GLY 289 Ca -0.05 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.23 3hig n GLY 289 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hig s ASP 290 N -4.25 1.01 0.60 1.61 1.01 -1.26 -5.14 116.67 110.25 3hig s ASP 290 Ca 0.00 -0.15 -0.17 0.00 0.71 0.00 0.00 52.55 52.95 3hig s ASP 290 Cb 0.00 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 3hig s ASP 290 CO 0.00 -0.02 1.09 -0.36 0.21 0.00 0.00 175.17 176.10 3hig s PHE 291 N 0.69 2.76 0.45 4.23 0.08 -1.26 -4.94 117.98 119.99 3hig s PHE 291 Ca -0.10 1.54 0.14 0.00 0.12 0.00 0.00 56.93 58.63 3hig s PHE 291 Cb -0.13 -3.15 1.02 0.00 -0.57 0.00 0.00 43.02 40.19 3hig s PHE 291 CO 0.01 -1.43 2.01 -1.35 -0.10 0.00 0.00 175.22 174.35 3hig h PRO 292 N 0.55 0.03 -3.23 0.24 0.11 -2.06 -3.29 132.00 124.35 3hig h PRO 292 Ca -0.48 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 3hig h PRO 292 Cb 1.24 -0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.93 3hig h PRO 292 CO 0.56 0.18 -0.57 -1.12 -0.21 0.00 0.00 178.00 176.84 3hig s SER 293 N -7.00 4.68 0.38 -2.05 0.01 -1.26 -5.11 113.70 103.35 3hig s SER 293 Ca -0.04 -3.48 -0.26 0.00 1.31 0.00 0.00 55.95 53.47 3hig s SER 293 Cb 0.16 -1.66 -0.12 0.00 0.21 0.00 0.00 66.02 64.62 3hig s SER 293 CO 0.70 -0.16 1.11 -2.65 0.41 0.00 0.00 173.24 172.65 3hig n PRO 294 N 2.49 1.61 -4.12 12.44 -0.02 -1.24 -5.00 135.00 141.15 3hig n PRO 294 Ca 0.13 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 3hig n PRO 294 Cb 0.34 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 3hig n PRO 294 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hig s ILE 295 N -1.18 3.53 -0.71 4.25 1.01 -1.26 -4.99 121.20 121.85 3hig s ILE 295 Ca 0.60 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.86 3hig s ILE 295 Cb -0.58 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.37 3hig s ILE 295 CO 0.59 0.44 0.75 1.41 0.00 0.00 0.00 174.94 178.13 3hig n HIS 296 N 4.36 0.03 -4.41 3.97 8.25 -1.26 -5.03 115.22 121.13 3hig n HIS 296 Ca -0.18 -0.06 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 3hig n HIS 296 Cb 0.51 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 3hig n HIS 296 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hig s VAL 297 N -0.56 1.67 0.51 1.59 -7.23 -1.26 -5.13 120.40 109.99 3hig s VAL 297 Ca 0.08 -2.15 -0.20 0.00 -1.81 0.00 0.00 61.98 57.89 3hig s VAL 297 Cb 0.05 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 3hig s VAL 297 CO 0.08 -0.37 1.11 -0.44 -0.31 0.00 0.00 175.10 175.17 3hig s SER 298 N -3.41 5.99 0.83 4.85 0.01 -1.26 -5.06 113.70 115.65 3hig s SER 298 Ca 0.28 2.12 -0.06 0.00 1.31 0.00 0.00 55.95 59.60 3hig s SER 298 Cb 0.03 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.82 3hig s SER 298 CO 0.11 -1.03 0.89 0.61 0.41 0.00 0.00 173.24 174.23 3hig n GLY 299 N 0.10 -0.36 3.74 3.44 0.00 -1.26 -5.04 105.19 105.81 3hig n GLY 299 Ca 0.10 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 3hig n GLY 299 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hig s PRO 300 N -4.85 2.52 0.07 1.61 0.05 -1.26 -5.04 135.00 128.11 3hig s PRO 300 Ca 0.54 1.66 0.01 0.00 0.05 0.00 0.00 61.00 63.27 3hig s PRO 300 Cb -0.02 -1.89 -0.04 0.00 0.05 0.00 0.00 34.50 32.60 3hig s PRO 300 CO 0.37 -1.52 -0.06 -0.98 0.05 0.00 0.00 177.00 174.86 3hig s ARG 301 N -3.83 0.71 0.34 4.56 1.70 -1.26 -5.15 118.95 116.02 3hig s ARG 301 Ca 0.73 -1.15 -0.26 0.00 -0.47 0.00 0.00 55.73 54.58 3hig s ARG 301 Cb -0.27 -0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 33.86 3hig s ARG 301 CO 0.41 -0.01 1.03 -0.51 -1.08 0.00 0.00 175.30 175.14 3hig s LEU 302 N -2.59 4.31 0.10 -1.89 1.02 -1.26 -5.07 118.68 113.30 3hig s LEU 302 Ca 0.05 2.04 0.08 0.00 0.02 0.00 0.00 54.13 56.32 3hig s LEU 302 Cb 0.01 -3.98 -0.03 0.00 0.02 0.00 0.00 46.19 42.21 3hig s LEU 302 CO -0.04 -0.27 -0.21 0.68 0.02 0.00 0.00 176.35 176.53 3hig s VAL 303 N -1.50 1.74 -0.40 -1.59 -7.23 -1.26 -4.71 120.40 105.44 3hig s VAL 303 Ca 0.52 -1.54 0.09 0.00 -1.81 0.00 0.00 61.98 59.24 3hig s VAL 303 Cb -0.24 -1.57 0.29 0.00 0.56 0.00 0.00 36.38 35.42 3hig s VAL 303 CO 0.30 -0.04 0.63 1.67 -0.31 0.00 0.00 175.10 177.34 3hig n GLN 304 N 1.10 0.98 0.28 4.82 7.27 -1.26 -4.97 117.38 125.61 3hig n GLN 304 Ca -0.19 -3.41 0.14 0.00 0.07 0.00 0.00 57.00 53.61 3hig n GLN 304 Cb 0.53 -1.49 0.86 0.00 2.41 0.00 0.00 30.24 32.56 3hig n GLN 304 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 3hig h PRO 305 N 3.59 0.00 -0.71 3.69 0.13 -1.92 -2.48 132.00 134.31 3hig h PRO 305 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3hig h PRO 305 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3hig h PRO 305 CO 0.51 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.00 3hig n HIS 306 N -3.98 1.25 -0.16 1.56 8.25 -1.26 -5.03 115.22 115.86 3hig n HIS 306 Ca -0.03 -0.55 0.02 0.00 -0.26 0.00 0.00 57.72 56.90 3hig n HIS 306 Cb 0.11 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 3hig n HIS 306 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hig n GLY 307 N 1.43 -1.85 3.71 -1.41 0.00 -0.94 -4.89 105.19 101.24 3hig n GLY 307 Ca 0.26 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 3hig n GLY 307 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hig n PRO 308 N -2.37 1.68 -0.11 1.61 -0.02 -1.26 -4.93 135.00 129.60 3hig n PRO 308 Ca -0.00 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3hig n PRO 308 Cb 0.07 -2.44 0.16 0.00 -0.02 0.00 0.00 33.50 31.27 3hig n PRO 308 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hig n ARG 309 N -0.58 2.29 -4.13 -0.52 1.74 -1.26 -4.90 116.66 109.30 3hig n ARG 309 Ca 0.09 -2.07 -0.25 0.00 -0.77 0.00 0.00 57.85 54.86 3hig n ARG 309 Cb 0.43 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 3hig n ARG 309 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hig s PHE 310 N -1.58 3.05 -0.17 -1.55 -0.12 -1.26 -4.59 117.98 111.76 3hig s PHE 310 Ca 0.32 -0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 57.08 3hig s PHE 310 Cb 0.20 -1.44 -0.03 0.00 -0.63 0.00 0.00 43.02 41.13 3hig s PHE 310 CO 0.29 0.53 -0.00 -0.98 -0.05 0.00 0.00 175.22 175.00 3hig s ARG 311 N -3.30 3.74 -0.18 1.99 1.04 0.80 -4.95 118.95 118.10 3hig s ARG 311 Ca 0.31 -0.47 0.00 0.00 -1.04 0.00 0.00 55.73 54.53 3hig s ARG 311 Cb -0.09 -3.03 0.01 0.00 -2.04 0.00 0.00 34.95 29.80 3hig s ARG 311 CO 0.23 0.20 -0.17 -1.17 -0.04 0.00 0.00 175.30 174.34 3hig s LEU 312 N 0.50 2.28 -0.23 -1.89 2.96 -1.26 -0.67 118.68 120.37 3hig s LEU 312 Ca -0.01 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3hig s LEU 312 Cb -0.14 -1.52 0.07 0.00 0.50 0.00 0.00 46.19 45.10 3hig s LEU 312 CO 0.02 0.01 0.02 -1.61 -1.32 0.00 0.00 176.35 173.48 3hig s GLU 313 N 1.24 0.92 7.81 1.98 8.01 -0.41 -4.98 118.70 133.26 3hig s GLU 313 Ca 0.03 -0.70 0.00 0.00 0.01 0.00 0.00 54.97 54.31 3hig s GLU 313 Cb -0.14 -2.22 0.00 0.00 -4.31 0.00 0.00 34.13 27.46 3hig s GLU 313 CO -0.09 -0.70 0.00 0.41 0.01 0.00 0.00 175.26 174.89 3hig n GLY 314 N 4.91 3.64 1.40 -1.39 0.00 -1.26 -0.82 105.19 111.67 3hig n GLY 314 Ca -0.08 0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.97 3hig n GLY 314 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hig n ASN 315 N 9.24 4.09 -4.57 1.61 6.94 -1.26 -4.97 115.26 126.33 3hig n ASN 315 Ca 0.00 -3.23 -0.34 0.00 -0.02 0.00 0.00 54.58 50.99 3hig n ASN 315 Cb 0.00 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.67 3hig n ASN 315 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hig s ALA 316 N -2.97 3.21 -0.07 -2.53 0.00 -0.00 -2.06 121.76 117.33 3hig s ALA 316 Ca 0.48 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3hig s ALA 316 Cb 0.39 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3hig s ALA 316 CO 0.09 0.21 -0.19 0.08 0.00 0.00 0.00 175.76 175.95 3hig s VAL 317 N 0.33 2.62 -0.04 0.00 1.01 0.76 -1.29 120.40 123.79 3hig s VAL 317 Ca -0.00 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3hig s VAL 317 Cb -0.13 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3hig s VAL 317 CO 0.02 0.57 -0.24 -0.76 0.00 0.00 0.00 175.10 174.69 3hig s LEU 318 N -0.25 2.04 -0.28 3.92 1.43 0.16 -1.90 118.68 123.81 3hig s LEU 318 Ca 0.00 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3hig s LEU 318 Cb -0.13 -1.27 0.17 0.00 0.03 0.00 0.00 46.19 44.99 3hig s LEU 318 CO 0.03 0.25 0.51 -0.47 0.23 0.00 0.00 176.35 176.90 3hig s TYR 319 N -0.27 -1.28 0.00 0.29 5.04 -0.53 -0.14 117.35 120.45 3hig s TYR 319 Ca 0.01 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 3hig s TYR 319 Cb -0.12 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.54 3hig s TYR 319 CO 0.02 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.83 3hig n GLY 320 N 5.40 3.51 0.01 8.97 0.00 -1.26 -0.03 105.19 121.79 3hig n GLY 320 Ca -0.02 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.37 3hig n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hig n GLY 321 N 0.00 -1.51 3.80 -0.02 0.00 -1.26 -4.90 105.19 101.29 3hig n GLY 321 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3hig n GLY 321 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hig s TRP 322 N -3.01 3.80 -0.01 1.61 0.52 0.96 -0.71 118.94 122.10 3hig s TRP 322 Ca 0.14 1.31 0.01 0.00 0.02 0.00 0.00 56.10 57.57 3hig s TRP 322 Cb 0.18 -2.55 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 3hig s TRP 322 CO 0.53 0.53 -0.03 -1.54 0.02 0.00 0.00 176.95 176.47 3hig s SER 323 N -0.93 0.44 0.17 2.95 1.04 -0.56 -1.46 113.70 115.36 3hig s SER 323 Ca 0.30 -0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.44 3hig s SER 323 Cb -0.20 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 65.86 3hig s SER 323 CO 0.20 -0.00 0.75 0.72 0.98 0.00 0.00 173.24 175.88 3hig s PHE 324 N 0.29 -0.32 0.25 5.02 -0.12 -0.80 -0.43 117.98 121.88 3hig s PHE 324 Ca -0.03 0.02 0.11 0.00 -0.05 0.00 0.00 56.93 56.98 3hig s PHE 324 Cb -0.06 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 3hig s PHE 324 CO -0.01 -0.93 -0.16 0.00 -0.05 0.00 0.00 175.22 174.08 3hig s ALA 325 N -3.62 2.81 0.07 1.99 0.00 -0.49 -0.17 121.76 122.35 3hig s ALA 325 Ca 0.07 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.27 3hig s ALA 325 Cb -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 3hig s ALA 325 CO -0.03 0.32 -0.05 -0.59 0.00 0.00 0.00 175.76 175.41 3hig s PHE 326 N -2.27 0.70 0.09 0.00 -0.12 -0.88 -0.46 117.98 115.05 3hig s PHE 326 Ca 0.28 -0.94 -0.11 0.00 -0.05 0.00 0.00 56.93 56.11 3hig s PHE 326 Cb -0.06 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.89 3hig s PHE 326 CO 0.15 -0.24 0.25 -0.98 -0.05 0.00 0.00 175.22 174.35 3hig s ARG 327 N -3.66 0.87 -0.43 1.99 1.70 -0.44 -4.69 118.95 114.29 3hig s ARG 327 Ca 0.08 -0.81 -0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3hig s ARG 327 Cb 0.05 0.37 0.12 0.00 -0.57 0.00 0.00 34.95 34.91 3hig s ARG 327 CO -0.06 -0.29 0.20 -1.17 -1.08 0.00 0.00 175.30 172.89 3hig s LEU 328 N -2.67 5.02 -0.23 -1.89 2.96 -1.26 -1.08 118.68 119.52 3hig s LEU 328 Ca 0.02 -2.29 -0.29 0.00 -0.22 0.00 0.00 54.13 51.35 3hig s LEU 328 Cb 0.03 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3hig s LEU 328 CO -0.10 -0.44 1.14 -0.60 -1.32 0.00 0.00 176.35 175.04 3hig s ARG 329 N 0.75 4.19 0.34 1.98 3.52 -0.80 -4.91 118.95 124.02 3hig s ARG 329 Ca 0.11 1.41 0.07 0.00 -0.13 0.00 0.00 55.73 57.19 3hig s ARG 329 Cb -0.22 -3.72 0.76 0.00 -1.56 0.00 0.00 34.95 30.22 3hig s ARG 329 CO -0.05 -0.74 1.87 0.77 -0.81 0.00 0.00 175.30 176.34 3hig h SER 330 N 7.97 0.71 0.02 -2.12 0.02 -1.87 0.38 113.55 118.66 3hig h SER 330 Ca -0.22 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3hig h SER 330 Cb 1.08 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3hig h SER 330 CO 0.99 0.37 -0.01 0.77 -1.14 0.00 0.00 176.83 177.81 3hig h SER 331 N 0.75 -0.02 -0.00 3.07 4.64 -1.90 -1.16 113.55 118.93 3hig h SER 331 Ca 0.45 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3hig h SER 331 Cb 0.65 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3hig h SER 331 CO -0.21 0.64 -0.01 -1.54 -0.87 0.00 0.00 176.83 174.83 3hig n SER 332 N -4.79 0.46 0.00 4.97 3.41 -1.00 -2.08 113.62 114.59 3hig n SER 332 Ca -0.09 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 3hig n SER 332 Cb 0.32 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 3hig n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hig n GLY 333 N 0.58 -1.85 3.75 5.00 0.00 0.13 -4.46 105.19 108.35 3hig n GLY 333 Ca 0.00 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3hig n GLY 333 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hig s LEU 334 N 0.00 4.45 0.01 0.99 2.96 -1.26 -1.90 118.68 123.92 3hig s LEU 334 Ca 0.00 2.44 0.03 0.00 -0.22 0.00 0.00 54.13 56.38 3hig s LEU 334 Cb 0.00 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 3hig s LEU 334 CO 0.00 -0.44 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.39 3hig s GLN 335 N -0.83 0.73 -0.02 1.98 -0.21 -0.25 -2.32 119.66 118.74 3hig s GLN 335 Ca 0.52 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 55.46 3hig s GLN 335 Cb -0.36 -0.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.93 3hig s GLN 335 CO 0.43 0.18 -0.11 0.14 -2.12 0.00 0.00 175.29 173.80 3hig s VAL 336 N -0.51 3.32 0.03 1.09 -7.23 -0.25 -1.32 120.40 115.53 3hig s VAL 336 Ca 0.01 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3hig s VAL 336 Cb -0.05 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 3hig s VAL 336 CO 0.00 0.49 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.47 3hig s LEU 337 N -1.07 2.24 -1.27 1.32 1.43 0.40 -0.46 118.68 121.26 3hig s LEU 337 Ca 0.14 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3hig s LEU 337 Cb -0.11 -0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.08 3hig s LEU 337 CO 0.04 -0.24 1.03 -3.20 0.23 0.00 0.00 176.35 174.21 3hig n ASN 338 N 1.60 -3.36 -4.68 2.29 5.15 0.12 -1.40 115.26 114.98 3hig n ASN 338 Ca -0.23 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 52.71 3hig n ASN 338 Cb 0.55 -4.97 -0.02 0.00 -0.53 0.00 0.00 39.78 34.80 3hig n ASN 338 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hig s VAL 339 N -3.37 4.53 0.07 3.44 1.01 0.92 -4.43 120.40 122.57 3hig s VAL 339 Ca 0.20 1.83 0.09 0.00 0.00 0.00 0.00 61.98 64.10 3hig s VAL 339 Cb -0.09 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3hig s VAL 339 CO 0.74 -0.05 -0.24 -1.00 0.00 0.00 0.00 175.10 174.55 3hig s HIS 340 N 2.51 2.39 -0.08 5.22 3.76 0.43 -0.35 115.29 129.18 3hig s HIS 340 Ca 0.51 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 3hig s HIS 340 Cb -0.20 -1.37 0.02 0.00 1.11 0.00 0.00 32.58 32.14 3hig s HIS 340 CO 0.16 0.22 -0.07 0.12 -0.85 0.00 0.00 174.74 174.33 3hig s PHE 341 N -0.91 1.18 -0.88 1.40 5.36 -0.38 -1.49 117.98 122.25 3hig s PHE 341 Ca 0.13 -0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 55.60 3hig s PHE 341 Cb -0.10 -0.98 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 3hig s PHE 341 CO 0.04 -0.34 0.45 0.41 -1.46 0.00 0.00 175.22 174.33 3hig n GLY 342 N 4.42 0.01 3.03 13.12 0.00 0.11 -2.58 105.19 123.30 3hig n GLY 342 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3hig n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hig n GLY 343 N -1.26 0.39 3.43 -0.02 0.00 -1.26 -5.00 105.19 101.47 3hig n GLY 343 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3hig n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hig s GLU 344 N -0.72 2.77 0.28 1.61 2.02 -1.07 -5.06 118.70 118.53 3hig s GLU 344 Ca 0.00 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 3hig s GLU 344 Cb 0.00 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.69 3hig s GLU 344 CO 0.00 0.49 1.24 0.50 0.02 0.00 0.00 175.26 177.51 3hig s ARG 345 N -0.37 4.45 -0.01 1.61 3.52 -1.26 -1.25 118.95 125.64 3hig s ARG 345 Ca 0.04 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.69 3hig s ARG 345 Cb -0.12 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 3hig s ARG 345 CO 0.02 -0.08 -0.01 0.44 -0.81 0.00 0.00 175.30 174.86 3hig n ILE 346 N 1.39 0.07 -3.77 4.11 -5.35 0.52 -0.45 119.36 115.88 3hig n ILE 346 Ca 0.01 -0.03 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 3hig n ILE 346 Cb 0.43 -0.68 -0.14 0.00 -1.74 0.00 0.00 39.64 37.51 3hig n ILE 346 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hig s ALA 347 N -2.02 -0.23 0.12 -1.28 0.00 -1.13 -0.87 121.76 116.34 3hig s ALA 347 Ca -0.01 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 3hig s ALA 347 Cb 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 23.12 22.64 3hig s ALA 347 CO 0.03 -0.12 1.27 -0.92 0.00 0.00 0.00 175.76 176.02 3hig h TYR 348 N 6.88 0.62 -2.53 0.00 3.20 -0.79 0.26 116.97 124.62 3hig h TYR 348 Ca -0.38 -0.36 -0.09 0.00 3.14 0.00 0.00 58.73 61.04 3hig h TYR 348 Cb 1.16 -0.06 -0.25 0.00 1.54 0.00 0.00 36.73 39.11 3hig h TYR 348 CO 0.43 1.19 -0.23 -2.00 -1.64 0.00 0.00 178.16 175.91 3hig s GLU 349 N -3.16 0.46 -0.18 1.82 2.12 -1.10 -0.71 118.70 117.95 3hig s GLU 349 Ca -0.06 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.12 3hig s GLU 349 Cb 0.08 0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.56 3hig s GLU 349 CO 0.87 -0.14 -0.07 0.08 -0.54 0.00 0.00 175.26 175.45 3hig s VAL 350 N 1.28 1.37 -0.03 3.70 1.01 0.39 0.48 120.40 128.60 3hig s VAL 350 Ca -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3hig s VAL 350 Cb -0.07 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3hig s VAL 350 CO -0.12 0.14 0.08 -0.94 0.00 0.00 0.00 175.10 174.26 3hig s SER 351 N 1.52 -0.08 0.20 3.32 1.04 -0.28 -1.09 113.70 118.33 3hig s SER 351 Ca -0.00 0.14 -0.31 0.00 0.48 0.00 0.00 55.95 56.26 3hig s SER 351 Cb -0.16 0.17 -0.10 0.00 0.10 0.00 0.00 66.02 66.03 3hig s SER 351 CO -0.08 -0.05 1.54 -0.69 0.98 0.00 0.00 173.24 174.94 3hig s VAL 352 N -0.03 2.58 -0.10 5.02 1.01 -0.98 -0.66 120.40 127.25 3hig s VAL 352 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3hig s VAL 352 Cb -0.01 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 3hig s VAL 352 CO 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 175.10 175.10 3hig n GLN 353 N 3.38 1.05 -3.53 2.72 1.13 0.24 -4.59 117.38 117.78 3hig n GLN 353 Ca 0.11 0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 55.12 3hig n GLN 353 Cb 0.39 -1.21 -0.03 0.00 0.11 0.00 0.00 30.24 29.50 3hig n GLN 353 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3hig s GLU 354 N -2.20 0.75 -0.08 -1.09 2.56 -1.16 -4.51 118.70 112.98 3hig s GLU 354 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.97 54.73 3hig s GLU 354 Cb 0.03 0.35 0.04 0.00 2.00 0.00 0.00 34.13 36.56 3hig s GLU 354 CO 0.27 -0.30 0.15 0.00 -0.56 0.00 0.00 175.26 174.82 3hig s ALA 355 N -2.29 -0.15 0.07 6.30 0.00 -1.26 -1.21 121.76 123.22 3hig s ALA 355 Ca 0.02 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.59 3hig s ALA 355 Cb -0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3hig s ALA 355 CO -0.04 -0.50 -0.16 0.14 0.00 0.00 0.00 175.76 175.20 3hig s VAL 356 N 2.12 1.29 -0.16 0.00 -7.23 0.83 -0.96 120.40 116.29 3hig s VAL 356 Ca 0.01 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 3hig s VAL 356 Cb -0.12 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.66 3hig s VAL 356 CO -0.06 -0.11 -0.05 0.00 -0.31 0.00 0.00 175.10 174.58 3hig s ALA 357 N -1.12 1.43 -0.24 1.32 0.00 -0.20 -1.09 121.76 121.86 3hig s ALA 357 Ca 0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3hig s ALA 357 Cb -0.09 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3hig s ALA 357 CO 0.02 -0.78 0.01 -0.51 0.00 0.00 0.00 175.76 174.51 3hig s LEU 358 N 1.66 3.19 0.23 0.00 1.43 -0.27 -1.47 118.68 123.45 3hig s LEU 358 Ca 0.01 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3hig s LEU 358 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3hig s LEU 358 CO -0.08 -0.04 0.16 -0.31 0.23 0.00 0.00 176.35 176.32 3hig s TYR 359 N 1.54 3.08 0.24 0.29 2.02 -0.60 -1.59 117.35 122.34 3hig s TYR 359 Ca 0.06 -0.10 0.10 0.00 -0.37 0.00 0.00 57.07 56.76 3hig s TYR 359 Cb -0.15 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 3hig s TYR 359 CO -0.00 0.53 -0.18 0.20 -1.57 0.00 0.00 175.55 174.53 3hig s GLY 360 N -3.65 1.68 0.02 0.71 0.00 -0.89 -4.76 107.32 100.42 3hig s GLY 360 Ca 0.32 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 42.98 3hig s GLY 360 CO 0.24 -1.87 1.03 -0.32 0.00 0.00 0.00 173.10 172.19 3hig s GLY 361 N -3.40 -0.35 0.30 0.20 0.00 -1.25 -4.20 107.32 98.61 3hig s GLY 361 Ca 0.26 0.76 0.22 0.00 0.00 0.00 0.00 44.72 45.97 3hig s GLY 361 CO 0.11 0.22 1.27 1.12 0.00 0.00 0.00 173.10 175.82 3hig h HIS 362 N 2.00 0.00 -2.60 1.90 2.07 -1.87 -3.37 115.15 113.28 3hig h HIS 362 Ca -0.22 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.75 3hig h HIS 362 Cb 1.22 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.17 3hig h HIS 362 CO 0.31 0.02 -0.47 0.95 -3.07 0.00 0.00 177.93 175.67 3hig s THR 363 N -3.29 5.32 0.25 6.12 -4.23 -1.26 -4.96 115.64 113.59 3hig s THR 363 Ca 0.02 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3hig s THR 363 Cb 0.08 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.42 3hig s THR 363 CO 0.74 -0.06 1.80 -0.65 -0.54 0.00 0.00 174.62 175.91 3hig h PRO 364 N 2.26 0.72 -0.30 3.99 0.10 -1.99 0.12 132.00 136.90 3hig h PRO 364 Ca -0.48 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 65.58 3hig h PRO 364 Cb 1.19 -0.16 -0.01 0.00 0.10 0.00 0.00 31.00 32.11 3hig h PRO 364 CO 0.69 0.48 0.19 0.00 0.10 0.00 0.00 178.00 179.46 3hig h ALA 365 N 1.48 0.38 -0.51 -0.75 0.00 -1.95 -1.65 119.26 116.27 3hig h ALA 365 Ca 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3hig h ALA 365 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hig h ALA 365 CO -0.28 -0.12 0.24 0.78 0.00 0.00 0.00 179.25 179.87 3hig h GLY 366 N 0.39 0.79 2.00 0.00 0.00 -1.73 -2.32 103.07 102.20 3hig h GLY 366 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hig h GLY 366 CO -0.02 0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.89 3hig h MET 367 N 0.67 0.00 0.00 4.80 -0.00 -0.85 -3.04 114.93 116.51 3hig h MET 367 Ca 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.81 3hig h MET 367 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 3hig h MET 367 CO -0.02 0.00 -0.46 0.37 -0.00 0.00 0.00 176.91 176.80 3hig h GLN 368 N 0.00 0.00 -6.37 -0.10 5.75 -0.76 -3.46 115.11 110.17 3hig h GLN 368 Ca 0.00 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.93 3hig h GLN 368 Cb 0.61 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 3hig h GLN 368 CO 0.00 0.23 0.90 0.99 -2.65 0.00 0.00 178.83 178.30 3hig s THR 369 N -3.10 4.35 -0.33 2.39 2.01 -1.03 -3.95 115.64 115.98 3hig s THR 369 Ca 0.04 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.55 3hig s THR 369 Cb 0.07 -4.36 0.11 0.00 0.01 0.00 0.00 72.50 68.34 3hig s THR 369 CO 0.73 -0.55 0.15 -0.54 -0.69 0.00 0.00 174.62 173.73 3hig s LYS 370 N 3.92 0.58 -0.05 4.92 1.02 -0.50 -1.56 119.74 128.07 3hig s LYS 370 Ca 0.49 -1.08 -0.24 0.00 0.02 0.00 0.00 55.97 55.16 3hig s LYS 370 Cb -0.13 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 3hig s LYS 370 CO 0.20 -1.08 0.72 0.71 -0.92 0.00 0.00 175.35 174.98 3hig s TYR 371 N 1.47 3.60 -0.26 3.18 2.02 -0.54 -3.86 117.35 122.95 3hig s TYR 371 Ca 0.13 1.29 0.03 0.00 -0.37 0.00 0.00 57.07 58.14 3hig s TYR 371 Cb -0.19 -2.82 0.06 0.00 -0.40 0.00 0.00 41.96 38.62 3hig s TYR 371 CO -0.19 0.11 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.31 3hig s LEU 372 N 0.70 3.39 0.46 -1.29 1.02 -1.26 -1.04 118.68 120.66 3hig s LEU 372 Ca 0.38 -1.44 0.26 0.00 0.02 0.00 0.00 54.13 53.36 3hig s LEU 372 Cb -0.18 -1.47 0.95 0.00 0.02 0.00 0.00 46.19 45.51 3hig s LEU 372 CO 0.19 -0.22 1.83 0.44 0.02 0.00 0.00 176.35 178.61 3hig h ASP 373 N 7.80 0.00 0.31 2.29 3.32 -1.45 -2.20 116.42 126.49 3hig h ASP 373 Ca -0.17 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3hig h ASP 373 Cb 1.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 3hig h ASP 373 CO 0.46 0.16 -0.15 0.58 -1.72 0.00 0.00 179.24 178.57 3hig h VAL 374 N 0.00 0.75 0.00 -1.35 2.07 -1.83 -0.63 116.25 115.26 3hig h VAL 374 Ca -0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hig h VAL 374 Cb 0.74 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3hig h VAL 374 CO 0.02 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.37 3hig n GLY 375 N -0.77 -0.53 0.10 2.17 0.00 -0.83 -2.82 105.19 102.51 3hig n GLY 375 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.94 3hig n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hig n TRP 376 N -0.95 0.00 -2.42 1.61 7.02 -0.26 -4.65 117.44 117.79 3hig n TRP 376 Ca 0.11 -0.55 -0.06 0.00 -1.02 0.00 0.00 57.50 55.98 3hig n TRP 376 Cb 0.05 -0.08 0.03 0.00 -2.42 0.00 0.00 31.31 28.89 3hig n TRP 376 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hig n GLY 377 N -0.72 -0.36 0.34 6.99 0.00 -1.13 -4.88 105.19 105.43 3hig n GLY 377 Ca 0.06 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3hig n GLY 377 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hig h LEU 378 N -0.37 0.75 -0.38 0.99 5.85 -1.28 -0.25 115.31 120.63 3hig h LEU 378 Ca -0.24 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3hig h LEU 378 Cb 1.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3hig h LEU 378 CO 0.22 0.32 -0.05 0.61 -0.34 0.00 0.00 178.44 179.20 3hig n GLY 379 N -1.33 -0.69 0.00 3.75 0.00 -0.73 -3.83 105.19 102.35 3hig n GLY 379 Ca 0.20 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.02 3hig n GLY 379 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hig n SER 380 N -0.64 0.95 -2.34 1.61 7.64 -0.11 -4.41 113.62 116.32 3hig n SER 380 Ca 0.18 -0.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.77 3hig n SER 380 Cb 0.25 1.02 0.06 0.00 -1.01 0.00 0.00 64.21 64.53 3hig n SER 380 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3hig n VAL 381 N -1.50 3.31 -2.54 0.44 0.24 -1.16 -4.85 118.33 112.26 3hig n VAL 381 Ca 0.04 -3.51 -0.43 0.00 -2.04 0.00 0.00 64.34 58.40 3hig n VAL 381 Cb 0.33 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 3hig n VAL 381 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hig n THR 382 N -0.80 4.22 -1.95 3.34 -2.24 -1.26 -2.09 114.28 113.50 3hig n THR 382 Ca 0.56 -4.41 -0.28 0.00 -2.27 0.00 0.00 64.05 57.65 3hig n THR 382 Cb 0.68 -2.42 0.09 0.00 -2.10 0.00 0.00 70.33 66.58 3hig n THR 382 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hig s HIS 383 N 1.29 2.93 0.11 4.78 3.76 -1.26 -4.45 115.29 122.45 3hig s HIS 383 Ca 0.42 0.69 -0.31 0.00 -0.15 0.00 0.00 55.06 55.71 3hig s HIS 383 Cb 0.05 -3.45 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 3hig s HIS 383 CO 0.00 -1.72 1.78 -2.00 -0.85 0.00 0.00 174.74 171.95 3hig s GLU 384 N -5.52 4.15 0.04 1.40 2.12 -1.26 -4.68 118.70 114.96 3hig s GLU 384 Ca 0.62 2.52 -0.30 0.00 0.36 0.00 0.00 54.97 58.16 3hig s GLU 384 Cb -0.11 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3hig s GLU 384 CO 0.48 -0.81 1.08 -0.51 -0.54 0.00 0.00 175.26 174.96 3hig s LEU 385 N 2.71 4.38 -0.34 2.70 1.43 -0.48 -5.00 118.68 124.08 3hig s LEU 385 Ca 0.79 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 55.51 3hig s LEU 385 Cb -0.44 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.20 3hig s LEU 385 CO 0.35 -0.34 0.72 0.00 0.23 0.00 0.00 176.35 177.31 3hig s ALA 386 N 0.92 3.48 0.18 4.21 0.00 -1.26 -4.92 121.76 124.36 3hig s ALA 386 Ca 0.55 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 3hig s ALA 386 Cb -0.25 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3hig s ALA 386 CO 0.29 -1.32 1.56 -2.14 0.00 0.00 0.00 175.76 174.15 3hig s PRO 387 N 2.89 4.22 0.00 0.00 0.02 -1.26 -0.89 135.00 139.97 3hig s PRO 387 Ca 0.29 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3hig s PRO 387 Cb -0.14 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3hig s PRO 387 CO 0.15 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3hig n GLY 388 N 3.51 3.23 0.82 0.52 0.00 0.10 -4.81 105.19 108.56 3hig n GLY 388 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 3hig n GLY 388 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hig n ILE 389 N -2.00 1.24 0.08 -0.61 5.41 -0.82 -4.76 119.36 117.90 3hig n ILE 389 Ca 0.00 0.32 -0.19 0.00 1.00 0.00 0.00 62.75 63.88 3hig n ILE 389 Cb 0.00 -1.76 -0.11 0.00 -0.71 0.00 0.00 39.64 37.07 3hig n ILE 389 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hig h ASP 390 N -0.24 0.73 -4.48 4.38 3.32 -1.33 -3.46 116.42 115.35 3hig h ASP 390 Ca -0.01 -0.66 -0.25 0.00 0.02 0.00 0.00 57.03 56.13 3hig h ASP 390 Cb 0.30 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 39.47 3hig h ASP 390 CO -0.01 1.47 -0.69 0.00 -1.72 0.00 0.00 179.24 178.29 3hig s PRO 392 N -3.83 1.35 0.53 0.00 0.02 -1.26 0.02 135.00 131.83 3hig s PRO 392 Ca 0.15 1.60 0.29 0.00 0.02 0.00 0.00 61.00 63.06 3hig s PRO 392 Cb 0.05 -1.76 1.50 0.00 0.02 0.00 0.00 34.50 34.31 3hig s PRO 392 CO -0.02 -2.40 2.08 0.93 -0.33 0.00 0.00 177.00 177.26 3hig h GLU 393 N -1.44 0.00 -0.00 5.54 3.07 -1.87 -0.82 114.58 119.06 3hig h GLU 393 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3hig h GLU 393 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3hig h GLU 393 CO 0.44 0.10 -0.02 0.25 -1.40 0.00 0.00 179.01 178.39 3hig n THR 394 N -3.54 0.00 -1.94 1.13 -2.24 -1.26 -4.68 114.28 101.74 3hig n THR 394 Ca -0.02 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 3hig n THR 394 Cb 0.24 -0.24 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3hig n THR 394 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hig s ALA 395 N -2.12 2.61 -0.34 6.98 0.00 -0.31 -4.95 121.76 123.63 3hig s ALA 395 Ca 0.41 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.68 3hig s ALA 395 Cb 0.21 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3hig s ALA 395 CO 0.39 -1.02 0.69 0.99 0.00 0.00 0.00 175.76 176.81 3hig s THR 396 N -2.30 4.86 -0.15 0.00 2.01 -0.47 -4.95 115.64 114.63 3hig s THR 396 Ca 0.66 0.81 -0.08 0.00 0.31 0.00 0.00 61.69 63.39 3hig s THR 396 Cb -0.19 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 3hig s THR 396 CO 0.37 -0.28 0.14 -0.36 -0.69 0.00 0.00 174.62 173.80 3hig s PHE 397 N 2.80 3.52 -0.05 4.92 0.40 -1.26 -0.80 117.98 127.51 3hig s PHE 397 Ca 0.27 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 57.11 3hig s PHE 397 Cb -0.14 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 3hig s PHE 397 CO 0.14 0.54 -0.20 -0.51 0.70 0.00 0.00 175.22 175.89 3hig s LEU 398 N -0.43 2.36 0.45 -0.37 1.02 0.71 -4.87 118.68 117.56 3hig s LEU 398 Ca 0.12 -0.36 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 3hig s LEU 398 Cb -0.12 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 3hig s LEU 398 CO 0.02 0.30 0.73 -1.81 0.02 0.00 0.00 176.35 175.61 3hig s ASP 399 N -0.50 6.17 0.24 2.29 1.01 -1.26 -0.43 116.67 124.19 3hig s ASP 399 Ca 0.06 0.73 -0.04 0.00 0.71 0.00 0.00 52.55 54.02 3hig s ASP 399 Cb -0.11 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 3hig s ASP 399 CO 0.01 -0.56 0.28 0.28 0.21 0.00 0.00 175.17 175.39 3hig s THR 400 N -2.64 0.00 -0.04 -1.27 -1.32 -0.53 -4.83 115.64 105.00 3hig s THR 400 Ca 0.46 -1.78 0.06 0.00 -1.21 0.00 0.00 61.69 59.22 3hig s THR 400 Cb -0.10 -2.43 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 3hig s THR 400 CO 0.42 0.00 -0.24 -0.36 -2.21 0.00 0.00 174.62 172.23 3hig s PHE 401 N -3.92 2.43 0.04 9.09 0.40 -1.26 -0.23 117.98 124.53 3hig s PHE 401 Ca 0.33 -0.55 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 3hig s PHE 401 Cb 0.03 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 3hig s PHE 401 CO 0.14 -0.10 -0.20 -1.01 0.70 0.00 0.00 175.22 174.75 3hig s HIS 402 N -0.39 1.72 -0.42 0.36 3.76 -0.66 -4.94 115.29 114.72 3hig s HIS 402 Ca 0.03 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 3hig s HIS 402 Cb -0.12 -1.03 0.11 0.00 1.11 0.00 0.00 32.58 32.65 3hig s HIS 402 CO 0.02 0.07 0.15 -0.47 -0.85 0.00 0.00 174.74 173.65 3hig s TYR 403 N -0.77 3.31 -0.16 1.40 5.04 -1.26 -0.83 117.35 124.09 3hig s TYR 403 Ca 0.07 -2.97 -0.04 0.00 -2.44 0.00 0.00 57.07 51.68 3hig s TYR 403 Cb -0.08 -2.76 0.07 0.00 0.35 0.00 0.00 41.96 39.54 3hig s TYR 403 CO 0.01 -0.85 0.19 -0.47 -1.34 0.00 0.00 175.55 173.10 3hig s TYR 404 N 0.42 -0.21 -1.37 4.97 5.04 -1.26 -2.13 117.35 122.81 3hig s TYR 404 Ca 0.14 0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 55.07 3hig s TYR 404 Cb -0.22 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 41.75 3hig s TYR 404 CO -0.05 -0.48 0.45 -3.47 -1.34 0.00 0.00 175.55 170.66 3hig n ASP 405 N 5.32 -1.06 -4.16 4.32 2.03 0.66 -4.99 116.55 118.68 3hig n ASP 405 Ca -0.05 -1.04 -0.10 0.00 0.52 0.00 0.00 54.79 54.12 3hig n ASP 405 Cb 0.50 -2.96 -0.10 0.00 -0.72 0.00 0.00 41.12 37.83 3hig n ASP 405 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hig s ALA 406 N -3.90 0.89 -0.04 -1.67 0.00 -1.26 -4.86 121.76 110.92 3hig s ALA 406 Ca 0.09 -1.35 0.12 0.00 0.00 0.00 0.00 51.96 50.81 3hig s ALA 406 Cb -0.03 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 3hig s ALA 406 CO 0.89 -0.30 1.37 -0.44 0.00 0.00 0.00 175.76 177.29 3hig h ASP 407 N 2.98 0.00 -5.26 0.00 3.32 -1.95 -3.40 116.42 112.11 3hig h ASP 407 Ca -0.35 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 3hig h ASP 407 Cb 1.17 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 3hig h ASP 407 CO 0.64 0.71 -0.31 -1.81 -1.72 0.00 0.00 179.24 176.76 3hig s ASP 408 N -6.56 0.03 0.37 6.45 1.01 -1.26 -4.92 116.67 111.79 3hig s ASP 408 Ca 0.03 -0.85 -0.28 0.00 0.71 0.00 0.00 52.55 52.15 3hig s ASP 408 Cb 0.09 0.44 -0.11 0.00 1.01 0.00 0.00 42.92 44.34 3hig s ASP 408 CO 0.78 -0.89 1.49 -2.84 0.21 0.00 0.00 175.17 173.92 3hig s PRO 409 N -3.96 4.12 -0.14 8.23 0.02 -1.26 -4.85 135.00 137.16 3hig s PRO 409 Ca 0.17 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3hig s PRO 409 Cb 0.03 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 3hig s PRO 409 CO -0.00 -0.54 -0.14 0.08 -0.33 0.00 0.00 177.00 176.07 3hig s VAL 410 N -1.02 2.90 -0.11 3.83 1.01 -0.01 -3.92 120.40 123.09 3hig s VAL 410 Ca 0.54 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3hig s VAL 410 Cb -0.46 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3hig s VAL 410 CO 0.62 0.52 1.06 -2.28 0.00 0.00 0.00 175.10 175.02 3hig s HIS 411 N 0.48 3.41 -0.35 5.22 2.46 0.20 -1.65 115.29 125.06 3hig s HIS 411 Ca -0.10 1.49 -0.03 0.00 0.47 0.00 0.00 55.06 56.88 3hig s HIS 411 Cb -0.16 -3.25 0.07 0.00 -0.13 0.00 0.00 32.58 29.11 3hig s HIS 411 CO 0.05 -0.52 0.09 0.71 -2.47 0.00 0.00 174.74 172.60 3hig s TYR 412 N 2.22 3.38 0.29 3.88 1.51 0.68 -2.85 117.35 126.46 3hig s TYR 412 Ca 0.50 -1.98 -0.29 0.00 -1.01 0.00 0.00 57.07 54.28 3hig s TYR 412 Cb -0.19 -2.55 -0.10 0.00 -0.11 0.00 0.00 41.96 39.01 3hig s TYR 412 CO 0.17 -0.85 1.12 -1.25 -1.11 0.00 0.00 175.55 173.63 3hig s PRO 413 N 1.24 4.61 -1.38 -1.71 0.04 -1.26 -1.45 135.00 135.09 3hig s PRO 413 Ca 0.00 1.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 3hig s PRO 413 Cb -0.21 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 3hig s PRO 413 CO -0.01 0.17 0.49 0.54 0.04 0.00 0.00 177.00 178.22 3hig n ARG 414 N 1.13 -3.67 0.07 4.56 1.74 -1.21 -4.05 116.66 115.23 3hig n ARG 414 Ca -0.01 0.46 -0.07 0.00 -0.77 0.00 0.00 57.85 57.46 3hig n ARG 414 Cb 0.44 -4.68 0.07 0.00 -1.02 0.00 0.00 32.46 27.27 3hig n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hig h ALA 415 N 0.84 0.72 -2.23 7.54 0.00 -0.85 -1.26 119.26 124.02 3hig h ALA 415 Ca -0.63 -0.59 -0.36 0.00 0.00 0.00 0.00 54.91 53.33 3hig h ALA 415 Cb 1.37 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 3hig h ALA 415 CO 0.61 0.77 -0.64 -0.51 0.00 0.00 0.00 179.25 179.47 3hig s LEU 416 N -7.87 2.05 0.06 0.00 1.02 -0.90 -4.29 118.68 108.75 3hig s LEU 416 Ca -0.04 -1.26 -0.07 0.00 0.02 0.00 0.00 54.13 52.77 3hig s LEU 416 Cb 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 46.19 46.14 3hig s LEU 416 CO 0.82 -0.58 0.15 0.00 0.02 0.00 0.00 176.35 176.75 3hig s LEU 418 N -2.57 0.63 -0.03 0.00 2.96 0.02 -1.23 118.68 118.46 3hig s LEU 418 Ca 0.01 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 3hig s LEU 418 Cb 0.03 -0.12 0.05 0.00 0.50 0.00 0.00 46.19 46.65 3hig s LEU 418 CO -0.08 -0.19 0.52 0.72 -1.32 0.00 0.00 176.35 176.00 3hig s PHE 419 N 1.61 -0.45 -0.07 5.38 -0.12 -0.32 -1.36 117.98 122.65 3hig s PHE 419 Ca -0.02 0.72 -0.06 0.00 -0.05 0.00 0.00 56.93 57.52 3hig s PHE 419 Cb -0.13 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3hig s PHE 419 CO -0.03 -0.53 0.17 -2.00 -0.05 0.00 0.00 175.22 172.79 3hig s GLU 420 N -1.37 3.47 -0.04 1.99 2.12 -1.26 -0.00 118.70 123.60 3hig s GLU 420 Ca -0.11 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 3hig s GLU 420 Cb -0.02 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.24 3hig s GLU 420 CO 0.07 0.73 0.11 1.41 -0.54 0.00 0.00 175.26 177.04 3hig s MET 421 N -1.41 0.11 0.23 4.30 -2.45 -0.07 -4.98 119.30 115.04 3hig s MET 421 Ca 0.21 0.19 -0.30 0.00 -1.25 0.00 0.00 55.69 54.53 3hig s MET 421 Cb -0.12 0.00 -0.10 0.00 1.25 0.00 0.00 34.83 35.86 3hig s MET 421 CO 0.10 -0.05 1.39 -2.14 1.05 0.00 0.00 175.02 175.37 3hig s PRO 422 N 0.31 4.32 0.19 4.11 0.02 -1.26 -1.10 135.00 141.59 3hig s PRO 422 Ca -0.02 2.21 0.26 0.00 0.02 0.00 0.00 61.00 63.46 3hig s PRO 422 Cb -0.03 -3.14 0.69 0.00 0.02 0.00 0.00 34.50 32.04 3hig s PRO 422 CO -0.01 -0.35 1.67 0.25 -0.33 0.00 0.00 177.00 178.23 3hig n THR 423 N 2.37 0.55 -0.82 0.99 -2.24 -1.02 -4.92 114.28 109.20 3hig n THR 423 Ca 0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3hig n THR 423 Cb 0.41 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3hig n THR 423 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hig n GLY 424 N 1.31 1.13 3.01 3.38 0.00 -1.26 -5.01 105.19 107.75 3hig n GLY 424 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3hig n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hig s VAL 425 N -3.73 0.79 0.56 1.61 0.11 -1.26 -5.02 120.40 113.46 3hig s VAL 425 Ca 0.00 -0.38 -0.21 0.00 -2.93 0.00 0.00 61.98 58.46 3hig s VAL 425 Cb 0.00 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3hig s VAL 425 CO 0.00 0.24 1.29 -2.16 -3.33 0.00 0.00 175.10 171.14 3hig s PRO 426 N 0.06 3.11 0.22 1.54 0.04 -1.26 -3.24 135.00 135.47 3hig s PRO 426 Ca -0.01 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 3hig s PRO 426 Cb -0.07 -2.16 0.20 0.00 0.04 0.00 0.00 34.50 32.51 3hig s PRO 426 CO 0.00 -1.16 1.69 1.25 0.04 0.00 0.00 177.00 178.83 3hig h LEU 427 N 1.30 0.90 -7.26 -3.56 6.46 -0.99 -3.44 115.31 108.73 3hig h LEU 427 Ca -0.51 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 56.93 3hig h LEU 427 Cb 1.30 -0.24 -0.18 0.00 -0.73 0.00 0.00 40.66 40.81 3hig h LEU 427 CO 0.57 0.97 -0.02 0.00 -0.62 0.00 0.00 178.44 179.34 3hig s ARG 428 N -4.97 0.94 -0.01 1.25 1.70 -1.24 -5.01 118.95 111.60 3hig s ARG 428 Ca -0.10 -0.15 -0.28 0.00 -0.47 0.00 0.00 55.73 54.72 3hig s ARG 428 Cb 0.14 0.43 0.07 0.00 -0.57 0.00 0.00 34.95 35.02 3hig s ARG 428 CO 0.84 -0.31 0.63 -0.98 -1.08 0.00 0.00 175.30 174.39 3hig s ARG 429 N -1.97 1.06 -0.16 3.89 1.04 -1.26 -0.77 118.95 120.78 3hig s ARG 429 Ca -0.08 0.10 -0.10 0.00 -1.04 0.00 0.00 55.73 54.60 3hig s ARG 429 Cb -0.01 0.49 0.05 0.00 -2.04 0.00 0.00 34.95 33.44 3hig s ARG 429 CO 0.02 -0.35 0.40 -1.58 -0.04 0.00 0.00 175.30 173.75 3hig s HIS 430 N -1.62 -0.55 -0.41 5.89 2.46 0.15 -4.99 115.29 116.22 3hig s HIS 430 Ca -0.09 1.21 -0.14 0.00 0.47 0.00 0.00 55.06 56.51 3hig s HIS 430 Cb -0.01 0.23 0.03 0.00 -0.13 0.00 0.00 32.58 32.70 3hig s HIS 430 CO 0.06 -0.30 0.30 0.12 -2.47 0.00 0.00 174.74 172.44 3hig s PHE 431 N 1.08 3.25 -0.97 3.88 2.19 -1.26 -1.54 117.98 124.61 3hig s PHE 431 Ca -0.07 -0.75 -0.15 0.00 0.33 0.00 0.00 56.93 56.28 3hig s PHE 431 Cb -0.07 -2.67 0.18 0.00 -1.31 0.00 0.00 43.02 39.15 3hig s PHE 431 CO -0.09 -0.64 1.08 1.21 1.83 0.00 0.00 175.22 178.61 3hig s ASN 432 N 1.82 6.82 0.53 6.13 3.84 -0.46 -5.02 114.94 128.60 3hig s ASN 432 Ca 0.04 -2.57 -0.21 0.00 0.21 0.00 0.00 52.86 50.33 3hig s ASN 432 Cb -0.20 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.12 3hig s ASN 432 CO 0.09 -0.78 1.25 -0.55 -2.79 0.00 0.00 177.10 174.31 3hig s SER 433 N 2.82 5.53 0.00 -4.21 0.15 -1.26 -0.17 113.70 116.56 3hig s SER 433 Ca 0.30 2.51 0.22 0.00 0.70 0.00 0.00 55.95 59.68 3hig s SER 433 Cb -0.06 -2.61 0.69 0.00 -1.71 0.00 0.00 66.02 62.32 3hig s SER 433 CO -0.07 -1.37 1.53 -0.46 1.20 0.00 0.00 173.24 174.06 3hig n ASN 434 N -1.02 2.04 -1.84 5.45 0.23 -0.55 -4.61 115.26 114.95 3hig n ASN 434 Ca 0.10 -1.75 -0.15 0.00 -0.53 0.00 0.00 54.58 52.25 3hig n ASN 434 Cb 0.47 -0.11 -0.04 0.00 -2.08 0.00 0.00 39.78 38.02 3hig n ASN 434 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3hig n PHE 435 N 0.57 -0.67 -2.52 -2.53 3.01 -1.26 -4.80 117.46 109.26 3hig n PHE 435 Ca 0.17 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.62 3hig n PHE 435 Cb 0.40 -2.98 0.05 0.00 -0.01 0.00 0.00 39.48 36.94 3hig n PHE 435 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hig n LYS 436 N -2.36 1.29 -0.77 -1.08 5.02 -1.26 -4.96 118.16 114.04 3hig n LYS 436 Ca -0.17 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 3hig n LYS 436 Cb 0.56 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 3hig n LYS 436 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hig n GLY 437 N -0.26 0.68 0.00 0.72 0.00 -1.26 -5.00 105.19 100.08 3hig n GLY 437 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3hig n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hig n GLY 438 N -2.58 5.01 3.13 -0.02 0.00 -1.26 -5.06 105.19 104.41 3hig n GLY 438 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 3hig n GLY 438 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hig s PHE 439 N -0.91 0.22 -0.11 1.61 -0.00 -1.26 -1.48 117.98 116.04 3hig s PHE 439 Ca 0.00 -0.57 -0.06 0.00 -0.00 0.00 0.00 56.93 56.30 3hig s PHE 439 Cb 0.00 -0.15 -0.26 0.00 -0.00 0.00 0.00 43.02 42.60 3hig s PHE 439 CO 0.00 -0.40 0.40 -0.91 -0.00 0.00 0.00 175.22 174.32 3hig h ASN 440 N 3.45 0.41 -4.82 1.98 2.35 -0.81 -3.44 115.58 114.70 3hig h ASN 440 Ca -0.33 -0.90 0.17 0.00 -0.55 0.00 0.00 56.30 54.68 3hig h ASN 440 Cb 1.18 -0.13 -0.14 0.00 0.05 0.00 0.00 38.32 39.28 3hig h ASN 440 CO 0.53 1.81 0.57 0.72 -1.65 0.00 0.00 177.43 179.41 3hig s PHE 441 N -2.56 -0.24 -0.08 1.19 -0.71 -1.23 -4.33 117.98 110.02 3hig s PHE 441 Ca -0.21 0.08 0.04 0.00 -1.04 0.00 0.00 56.93 55.80 3hig s PHE 441 Cb 0.07 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.42 3hig s PHE 441 CO 0.78 -0.53 -0.21 -0.47 -1.34 0.00 0.00 175.22 173.45 3hig s TYR 442 N -2.98 2.57 -0.03 3.49 5.04 -0.68 -1.36 117.35 123.41 3hig s TYR 442 Ca 0.08 -0.76 0.05 0.00 -2.44 0.00 0.00 57.07 54.00 3hig s TYR 442 Cb -0.01 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.61 3hig s TYR 442 CO -0.05 -0.24 -0.18 0.00 -1.34 0.00 0.00 175.55 173.73 3hig s ALA 443 N 0.05 1.55 0.02 3.97 0.00 -0.59 -0.39 121.76 126.37 3hig s ALA 443 Ca -0.09 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 3hig s ALA 443 Cb -0.15 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.54 3hig s ALA 443 CO 0.05 0.33 0.39 0.20 0.00 0.00 0.00 175.76 176.73 3hig s GLY 444 N -0.19 -0.24 -0.19 0.00 0.00 -0.42 -0.68 107.32 105.60 3hig s GLY 444 Ca 0.01 0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 3hig s GLY 444 CO 0.01 0.11 -0.05 -2.27 0.00 0.00 0.00 173.10 170.90 3hig s LEU 445 N -1.74 1.93 0.29 0.66 2.96 0.05 -1.25 118.68 121.59 3hig s LEU 445 Ca -0.08 -0.86 -0.28 0.00 -0.22 0.00 0.00 54.13 52.69 3hig s LEU 445 Cb -0.02 -1.00 -0.14 0.00 0.50 0.00 0.00 46.19 45.53 3hig s LEU 445 CO 0.01 -0.21 1.00 1.17 -1.32 0.00 0.00 176.35 177.00 3hig n LYS 446 N 4.81 1.32 -2.84 1.98 4.81 -1.26 -0.53 118.16 126.45 3hig n LYS 446 Ca -0.12 0.46 -0.41 0.00 -0.87 0.00 0.00 58.31 57.37 3hig n LYS 446 Cb 0.46 -1.82 -0.04 0.00 0.02 0.00 0.00 35.03 33.65 3hig n LYS 446 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3hig s GLY 447 N -0.57 2.62 0.04 3.14 0.00 -1.20 -4.26 107.32 107.09 3hig s GLY 447 Ca 0.59 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3hig s GLY 447 CO 0.60 1.55 -0.05 1.20 0.00 0.00 0.00 173.10 176.40 3hig s GLN 448 N 1.24 0.45 0.04 2.90 -1.52 -1.26 -2.43 119.66 119.09 3hig s GLN 448 Ca 0.45 -0.79 0.01 0.00 -1.95 0.00 0.00 55.36 53.08 3hig s GLN 448 Cb -0.19 -0.03 -0.03 0.00 -0.22 0.00 0.00 33.01 32.55 3hig s GLN 448 CO 0.21 -0.02 -0.05 0.54 -0.25 0.00 0.00 175.29 175.72 3hig s VAL 449 N -1.90 0.32 -0.17 1.09 0.11 -0.25 -4.32 120.40 115.28 3hig s VAL 449 Ca -0.09 -1.26 -0.08 0.00 -2.93 0.00 0.00 61.98 57.61 3hig s VAL 449 Cb -0.07 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 3hig s VAL 449 CO -0.02 -0.61 0.12 -0.22 -3.33 0.00 0.00 175.10 171.03 3hig s LEU 450 N -1.98 4.17 -0.14 2.54 2.96 -0.33 -0.89 118.68 125.01 3hig s LEU 450 Ca -0.06 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 3hig s LEU 450 Cb -0.05 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.60 3hig s LEU 450 CO -0.03 0.25 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.37 3hig s VAL 451 N -0.07 1.91 -0.23 1.68 1.01 0.99 -0.20 120.40 125.49 3hig s VAL 451 Ca 0.09 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3hig s VAL 451 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3hig s VAL 451 CO 0.00 0.52 0.09 -0.22 0.00 0.00 0.00 175.10 175.49 3hig s LEU 452 N 1.01 3.66 0.02 3.92 2.96 0.40 -1.17 118.68 129.48 3hig s LEU 452 Ca -0.03 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3hig s LEU 452 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3hig s LEU 452 CO -0.05 0.03 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.35 3hig s ARG 453 N 1.23 0.47 0.33 1.98 3.52 -0.37 -0.96 118.95 125.15 3hig s ARG 453 Ca 0.05 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 3hig s ARG 453 Cb -0.14 -0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 3hig s ARG 453 CO 0.04 0.08 0.29 -0.08 -0.81 0.00 0.00 175.30 174.82 3hig s THR 454 N -0.71 0.00 0.26 4.11 -1.32 -0.36 -1.59 115.64 116.03 3hig s THR 454 Ca -0.04 -1.98 0.03 0.00 -1.21 0.00 0.00 61.69 58.50 3hig s THR 454 Cb -0.06 -2.51 -0.05 0.00 -1.51 0.00 0.00 72.50 68.37 3hig s THR 454 CO 0.00 0.00 0.02 0.42 -2.21 0.00 0.00 174.62 172.85 3hig s THR 455 N -3.44 1.01 -0.03 5.08 -4.23 -1.26 -0.33 115.64 112.44 3hig s THR 455 Ca 0.40 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3hig s THR 455 Cb 0.02 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3hig s THR 455 CO 0.27 -0.21 0.05 -0.94 -0.54 0.00 0.00 174.62 173.26 3hig s SER 456 N -3.35 0.86 -0.51 3.99 1.04 0.94 -4.06 113.70 112.61 3hig s SER 456 Ca 0.32 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.83 3hig s SER 456 Cb 0.07 -0.12 0.13 0.00 0.10 0.00 0.00 66.02 66.20 3hig s SER 456 CO 0.11 -0.22 0.27 -0.89 0.98 0.00 0.00 173.24 173.50 3hig s THR 457 N 1.88 2.91 0.12 2.02 2.01 -0.89 -1.00 115.64 122.70 3hig s THR 457 Ca 0.01 -2.98 -0.14 0.00 0.31 0.00 0.00 61.69 58.89 3hig s THR 457 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 3hig s THR 457 CO -0.03 -0.78 1.52 0.58 -0.69 0.00 0.00 174.62 175.22 3hig h VAL 458 N 5.66 1.28 0.00 3.82 2.07 -1.94 -3.46 116.25 123.67 3hig h VAL 458 Ca -0.06 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3hig h VAL 458 Cb 0.94 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3hig h VAL 458 CO 0.67 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.65 3hig n TYR 459 N -4.36 0.00 0.20 1.57 4.19 -1.26 -5.12 117.16 112.37 3hig n TYR 459 Ca -0.02 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.23 3hig n TYR 459 Cb 0.35 0.00 0.18 0.00 0.49 0.00 0.00 39.34 40.37 3hig n TYR 459 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 3hig n ASN 460 N -0.37 3.07 -3.37 2.98 6.94 -1.26 -4.99 115.26 118.26 3hig n ASN 460 Ca 0.00 -2.39 0.02 0.00 -0.02 0.00 0.00 54.58 52.19 3hig n ASN 460 Cb 0.00 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 36.84 3hig n ASN 460 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3hig s ASP 462 N -0.42 -1.12 -0.16 0.53 1.11 0.06 -0.52 116.67 116.15 3hig s ASP 462 Ca 0.25 1.08 -0.11 0.00 0.18 0.00 0.00 52.55 53.96 3hig s ASP 462 Cb 0.19 2.10 -0.05 0.00 1.07 0.00 0.00 42.92 46.22 3hig s ASP 462 CO 0.08 -0.21 0.19 -0.31 1.18 0.00 0.00 175.17 176.10 3hig s TYR 463 N 2.84 3.49 -0.27 4.23 2.02 -0.17 -0.70 117.35 128.79 3hig s TYR 463 Ca 0.06 0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 57.18 3hig s TYR 463 Cb -0.12 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 3hig s TYR 463 CO -0.19 0.40 0.06 0.42 -1.57 0.00 0.00 175.55 174.68 3hig s ILE 464 N -0.03 4.07 -0.24 2.71 1.01 -0.26 -0.04 121.20 128.42 3hig s ILE 464 Ca 0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 3hig s ILE 464 Cb -0.12 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3hig s ILE 464 CO 0.02 0.23 0.07 0.26 0.00 0.00 0.00 174.94 175.52 3hig s TRP 465 N 1.55 3.10 -0.04 3.97 0.52 0.56 -1.14 118.94 127.45 3hig s TRP 465 Ca 0.05 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.86 3hig s TRP 465 Cb -0.16 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 3hig s TRP 465 CO 0.02 -0.31 -0.23 -0.51 0.02 0.00 0.00 176.95 175.94 3hig s ASP 466 N 1.50 2.79 -0.10 2.95 1.01 0.25 -1.22 116.67 123.85 3hig s ASP 466 Ca 0.06 -0.45 0.03 0.00 0.71 0.00 0.00 52.55 52.90 3hig s ASP 466 Cb -0.15 -0.59 -0.01 0.00 1.01 0.00 0.00 42.92 43.19 3hig s ASP 466 CO 0.04 0.25 -0.21 -0.36 0.21 0.00 0.00 175.17 175.09 3hig s PHE 467 N -0.28 2.61 -0.05 4.23 0.40 -0.13 -0.90 117.98 123.86 3hig s PHE 467 Ca 0.01 -0.88 0.03 0.00 -0.60 0.00 0.00 56.93 55.50 3hig s PHE 467 Cb -0.11 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.69 3hig s PHE 467 CO 0.02 -0.32 -0.14 0.42 0.70 0.00 0.00 175.22 175.90 3hig s ILE 468 N 0.25 1.19 -0.16 0.64 1.01 -0.24 -0.45 121.20 123.43 3hig s ILE 468 Ca -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3hig s ILE 468 Cb -0.17 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.28 3hig s ILE 468 CO 0.07 0.36 -0.13 -0.36 0.00 0.00 0.00 174.94 174.88 3hig s PHE 469 N 0.33 2.22 0.26 3.97 0.40 0.72 -0.81 117.98 125.05 3hig s PHE 469 Ca -0.08 -1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 54.90 3hig s PHE 469 Cb -0.13 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 3hig s PHE 469 CO 0.03 -0.69 0.50 0.71 0.70 0.00 0.00 175.22 176.46 3hig s TYR 470 N 1.47 3.48 -0.81 0.36 1.51 0.15 -1.19 117.35 122.32 3hig s TYR 470 Ca 0.03 0.54 0.17 0.00 -1.01 0.00 0.00 57.07 56.81 3hig s TYR 470 Cb -0.14 -2.02 0.73 0.00 -0.11 0.00 0.00 41.96 40.42 3hig s TYR 470 CO -0.10 0.25 1.53 -2.30 -1.11 0.00 0.00 175.55 173.82 3hig n PRO 471 N -0.82 0.07 -0.61 -1.71 -0.02 -1.26 -2.51 135.00 128.15 3hig n PRO 471 Ca -0.03 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 3hig n PRO 471 Cb 0.54 -1.64 0.34 0.00 -0.02 0.00 0.00 33.50 32.72 3hig n PRO 471 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hig n ASN 472 N -1.77 4.59 0.00 2.55 6.94 -1.26 -4.10 115.26 122.22 3hig n ASN 472 Ca 0.03 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 3hig n ASN 472 Cb 0.18 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 3hig n ASN 472 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hig n GLY 473 N 1.05 0.76 3.71 4.83 0.00 -1.04 -4.60 105.19 109.90 3hig n GLY 473 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3hig n GLY 473 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hig s VAL 474 N -2.24 5.07 0.12 1.61 1.01 -1.26 -4.32 120.40 120.40 3hig s VAL 474 Ca 0.00 1.29 0.11 0.00 0.00 0.00 0.00 61.98 63.37 3hig s VAL 474 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3hig s VAL 474 CO 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 175.10 175.07 3hig s MET 475 N 1.01 1.40 0.02 2.72 0.23 -0.85 -0.67 119.30 123.15 3hig s MET 475 Ca 0.33 -1.32 0.05 0.00 -1.03 0.00 0.00 55.69 53.72 3hig s MET 475 Cb -0.17 -1.86 -0.02 0.00 -1.53 0.00 0.00 34.83 31.25 3hig s MET 475 CO 0.15 0.44 -0.16 -2.00 -2.03 0.00 0.00 175.02 171.42 3hig s GLU 476 N -2.00 1.12 -0.08 3.16 2.12 0.01 -0.49 118.70 122.53 3hig s GLU 476 Ca 0.13 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 3hig s GLU 476 Cb -0.10 -1.13 -0.03 0.00 0.26 0.00 0.00 34.13 33.13 3hig s GLU 476 CO 0.06 0.29 -0.04 0.00 -0.54 0.00 0.00 175.26 175.03 3hig s ALA 477 N -0.64 3.10 -0.04 6.30 0.00 0.07 -1.08 121.76 129.47 3hig s ALA 477 Ca 0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 3hig s ALA 477 Cb -0.07 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3hig s ALA 477 CO 0.01 0.55 0.20 0.21 0.00 0.00 0.00 175.76 176.72 3hig s LYS 478 N -0.73 0.38 -0.07 0.00 2.20 -0.08 -1.68 119.74 119.75 3hig s LYS 478 Ca 0.11 -0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 3hig s LYS 478 Cb -0.11 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.39 3hig s LYS 478 CO 0.02 -0.08 -0.13 1.41 -0.36 0.00 0.00 175.35 176.21 3hig s MET 479 N -0.59 1.76 -0.09 4.03 -2.45 -0.38 -0.58 119.30 121.00 3hig s MET 479 Ca -0.07 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 3hig s MET 479 Cb -0.04 -1.45 -0.02 0.00 1.25 0.00 0.00 34.83 34.56 3hig s MET 479 CO 0.01 0.04 -0.10 -1.01 1.05 0.00 0.00 175.02 175.01 3hig s HIS 480 N 0.62 2.84 -0.16 4.11 0.09 -0.30 -1.96 115.29 120.53 3hig s HIS 480 Ca -0.14 -0.24 -0.11 0.00 -0.00 0.00 0.00 55.06 54.56 3hig s HIS 480 Cb -0.16 -1.75 -0.05 0.00 -0.00 0.00 0.00 32.58 30.62 3hig s HIS 480 CO 0.04 0.10 0.21 0.00 -0.00 0.00 0.00 174.74 175.09 3hig s ALA 481 N -0.33 3.69 0.00 -1.40 0.00 -0.88 -1.11 121.76 121.73 3hig s ALA 481 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3hig s ALA 481 Cb -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.77 3hig s ALA 481 CO 0.02 0.23 0.00 -2.37 0.00 0.00 0.00 175.76 173.65 3hig n THR 482 N 3.17 0.00 -2.69 0.00 5.66 0.13 -3.98 114.28 116.56 3hig n THR 482 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 3hig n THR 482 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 3hig n THR 482 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hig n GLY 483 N 0.00 -1.47 3.85 1.09 0.00 -1.22 -0.76 105.19 106.68 3hig n GLY 483 Ca 0.00 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 3hig n GLY 483 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hig s TYR 484 N 0.00 3.69 0.68 1.61 1.51 0.32 -0.72 117.35 124.43 3hig s TYR 484 Ca 0.00 0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 56.78 3hig s TYR 484 Cb 0.00 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.67 3hig s TYR 484 CO 0.00 0.66 1.11 0.14 -1.11 0.00 0.00 175.55 176.35 3hig s VAL 485 N -1.09 3.26 -0.32 0.71 -7.23 -1.26 -4.72 120.40 109.76 3hig s VAL 485 Ca 0.22 0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 3hig s VAL 485 Cb -0.15 -3.07 0.02 0.00 0.56 0.00 0.00 36.38 33.73 3hig s VAL 485 CO 0.11 -0.39 1.09 -2.28 -0.31 0.00 0.00 175.10 173.32 3hig s HIS 486 N -2.43 3.13 0.10 2.82 2.46 -1.26 -4.84 115.29 115.26 3hig s HIS 486 Ca 0.66 1.18 0.04 0.00 0.47 0.00 0.00 55.06 57.41 3hig s HIS 486 Cb -0.20 -3.70 -0.04 0.00 -0.13 0.00 0.00 32.58 28.52 3hig s HIS 486 CO 0.44 -0.82 -0.11 0.00 -2.47 0.00 0.00 174.74 171.77 3hig s ALA 487 N 3.68 1.21 0.33 1.58 0.00 -1.26 -3.82 121.76 123.49 3hig s ALA 487 Ca 0.46 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3hig s ALA 487 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3hig s ALA 487 CO 0.16 0.02 0.14 0.95 0.00 0.00 0.00 175.76 177.02 3hig s THR 488 N -2.25 0.50 0.22 0.00 -4.23 -0.65 -4.89 115.64 104.34 3hig s THR 488 Ca 0.06 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 3hig s THR 488 Cb -0.04 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.20 3hig s THR 488 CO 0.01 0.00 1.16 0.12 -0.54 0.00 0.00 174.62 175.37 3hig s PHE 489 N -3.47 3.48 0.02 3.99 5.36 -1.26 -0.76 117.98 125.34 3hig s PHE 489 Ca 0.33 1.54 -0.30 0.00 -0.96 0.00 0.00 56.93 57.54 3hig s PHE 489 Cb 0.05 -3.37 -0.06 0.00 -0.34 0.00 0.00 43.02 39.30 3hig s PHE 489 CO 0.17 -0.93 1.36 -0.47 -1.46 0.00 0.00 175.22 173.89 3hig s TYR 490 N -0.51 3.00 0.11 10.12 6.14 -0.07 -4.62 117.35 131.53 3hig s TYR 490 Ca 0.49 0.92 0.03 0.00 0.64 0.00 0.00 57.07 59.14 3hig s TYR 490 Cb -0.32 -3.63 -0.04 0.00 0.42 0.00 0.00 41.96 38.39 3hig s TYR 490 CO 0.39 -2.24 -0.08 0.95 0.64 0.00 0.00 175.55 175.21 3hig s THR 491 N 2.03 0.83 0.35 4.34 -4.23 -1.26 -4.90 115.64 112.79 3hig s THR 491 Ca 0.63 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 59.30 3hig s THR 491 Cb -0.32 -1.71 0.33 0.00 1.34 0.00 0.00 72.50 72.15 3hig s THR 491 CO 0.27 -0.82 1.81 -0.65 -0.54 0.00 0.00 174.62 174.68 3hig h PRO 492 N 2.95 0.61 0.00 3.99 0.11 -2.02 -0.60 132.00 137.04 3hig h PRO 492 Ca -0.36 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hig h PRO 492 Cb 1.17 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hig h PRO 492 CO 0.64 0.40 -0.01 0.93 -0.21 0.00 0.00 178.00 179.75 3hig h GLU 493 N 0.62 0.00 0.00 1.05 3.07 -2.00 -2.07 114.58 115.26 3hig h GLU 493 Ca 0.54 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.39 3hig h GLU 493 Cb 1.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3hig h GLU 493 CO -0.30 0.01 -0.06 0.78 -1.40 0.00 0.00 179.01 178.05 3hig h GLY 494 N 0.19 0.00 2.00 -3.84 0.00 -1.48 -3.03 103.07 96.91 3hig h GLY 494 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hig h GLY 494 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3hig h LEU 495 N 0.00 0.00 -0.23 3.11 3.38 -1.52 0.13 115.31 120.19 3hig h LEU 495 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hig h LEU 495 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hig h LEU 495 CO 0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.08 3hig n ARG 496 N -2.46 0.10 -0.29 1.13 1.74 -1.15 -3.90 116.66 111.84 3hig n ARG 496 Ca 0.01 0.26 0.05 0.00 -0.77 0.00 0.00 57.85 57.40 3hig n ARG 496 Cb 0.23 -1.67 0.07 0.00 -1.02 0.00 0.00 32.46 30.07 3hig n ARG 496 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hig n HIS 497 N -1.86 0.00 -3.57 -1.55 8.25 0.44 -5.03 115.22 111.91 3hig n HIS 497 Ca 0.04 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 3hig n HIS 497 Cb 0.26 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3hig n HIS 497 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hig n GLY 498 N -0.74 -1.43 3.12 -1.41 0.00 -1.02 0.16 105.19 103.86 3hig n GLY 498 Ca 0.08 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 3hig n GLY 498 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hig s THR 499 N -2.94 1.28 -0.03 2.61 2.01 -0.59 -4.42 115.64 113.56 3hig s THR 499 Ca 0.00 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 3hig s THR 499 Cb 0.00 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 3hig s THR 499 CO 0.00 0.37 1.33 -0.60 -0.69 0.00 0.00 174.62 175.03 3hig s ARG 500 N -0.07 4.30 -0.01 4.92 3.52 -1.26 -0.22 118.95 130.13 3hig s ARG 500 Ca -0.00 1.86 0.10 0.00 -0.13 0.00 0.00 55.73 57.55 3hig s ARG 500 Cb -0.09 -3.59 -0.14 0.00 -1.56 0.00 0.00 34.95 29.57 3hig s ARG 500 CO 0.01 -0.55 0.27 1.28 -0.81 0.00 0.00 175.30 175.50 3hig n LEU 501 N 5.43 0.13 0.00 -0.88 4.77 -0.05 -4.78 117.00 121.63 3hig n LEU 501 Ca 0.13 -0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 3hig n LEU 501 Cb 0.44 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3hig n LEU 501 CO 0.57 0.03 0.57 1.57 -1.33 0.00 0.00 177.39 178.81 3hig n HIS 502 N -1.66 -1.36 -0.19 -1.77 -0.00 -1.21 -4.90 115.22 104.13 3hig n HIS 502 Ca -0.01 -1.06 -0.03 0.00 0.46 0.00 0.00 57.72 57.08 3hig n HIS 502 Cb 0.22 0.52 0.07 0.00 -0.12 0.00 0.00 29.99 30.68 3hig n HIS 502 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 3hig h THR 503 N 1.75 0.93 -0.15 3.57 2.02 -1.99 -2.90 112.91 116.13 3hig h THR 503 Ca -0.22 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3hig h THR 503 Cb 0.91 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3hig h THR 503 CO 0.29 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.68 3hig n HIS 504 N -4.88 0.53 -4.49 3.16 8.25 -1.26 -4.84 115.22 111.70 3hig n HIS 504 Ca 0.06 -0.91 -0.26 0.00 -0.26 0.00 0.00 57.72 56.35 3hig n HIS 504 Cb 0.16 -0.24 -0.17 0.00 1.12 0.00 0.00 29.99 30.87 3hig n HIS 504 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hig s LEU 505 N -2.76 1.61 -0.15 2.41 2.96 -1.10 -0.89 118.68 120.77 3hig s LEU 505 Ca 0.37 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hig s LEU 505 Cb 0.30 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 46.08 3hig s LEU 505 CO 0.06 0.01 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.38 3hig s ILE 506 N 0.86 3.33 -0.42 6.68 -1.09 0.06 -0.87 121.20 129.75 3hig s ILE 506 Ca -0.10 -0.56 -0.24 0.00 -2.23 0.00 0.00 60.65 57.52 3hig s ILE 506 Cb -0.15 -2.43 0.02 0.00 -1.58 0.00 0.00 42.46 38.32 3hig s ILE 506 CO 0.01 0.51 0.81 -0.83 -1.23 0.00 0.00 174.94 174.21 3hig s GLY 507 N 0.45 1.60 0.28 6.18 0.00 0.70 -1.64 107.32 114.89 3hig s GLY 507 Ca -0.07 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.52 3hig s GLY 507 CO 0.04 1.82 1.23 -1.31 0.00 0.00 0.00 173.10 174.88 3hig s ASN 508 N 2.05 6.99 0.44 1.64 -0.87 -1.25 -1.54 114.94 122.40 3hig s ASN 508 Ca 0.32 2.46 -0.26 0.00 -1.57 0.00 0.00 52.86 53.81 3hig s ASN 508 Cb -0.12 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.25 38.39 3hig s ASN 508 CO 0.21 -0.38 1.42 -0.51 -2.57 0.00 0.00 177.10 175.27 3hig s ILE 509 N -0.87 2.12 0.11 0.60 2.07 0.12 -4.57 121.20 120.79 3hig s ILE 509 Ca 0.49 0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.58 3hig s ILE 509 Cb -0.36 -3.06 0.07 0.00 0.13 0.00 0.00 42.46 39.24 3hig s ILE 509 CO 0.45 0.02 0.77 -1.38 -1.91 0.00 0.00 174.94 172.88 3hig s HIS 510 N -1.20 -0.37 -0.10 3.50 -3.43 -0.98 -2.10 115.29 110.61 3hig s HIS 510 Ca 0.60 0.15 0.02 0.00 -0.80 0.00 0.00 55.06 55.03 3hig s HIS 510 Cb -0.43 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.28 3hig s HIS 510 CO 0.56 -0.79 -0.18 0.99 -2.00 0.00 0.00 174.74 173.33 3hig s THR 511 N -3.48 2.64 -0.06 -5.38 2.01 -0.62 -0.12 115.64 110.63 3hig s THR 511 Ca 0.05 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 3hig s THR 511 Cb -0.02 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 3hig s THR 511 CO -0.07 0.55 0.53 -1.00 -0.69 0.00 0.00 174.62 173.94 3hig s HIS 512 N 0.11 3.60 -0.01 4.92 3.76 -0.46 -1.12 115.29 126.09 3hig s HIS 512 Ca -0.09 1.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.89 3hig s HIS 512 Cb -0.15 -2.57 -0.00 0.00 1.11 0.00 0.00 32.58 30.96 3hig s HIS 512 CO 0.05 0.27 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.63 3hig s LEU 513 N 0.20 1.99 -0.02 0.89 1.43 -0.25 -1.42 118.68 121.50 3hig s LEU 513 Ca 0.29 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3hig s LEU 513 Cb -0.17 -0.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 3hig s LEU 513 CO 0.14 0.09 -0.13 -0.69 0.23 0.00 0.00 176.35 175.99 3hig s VAL 514 N -0.14 1.03 -0.09 -1.59 1.01 0.24 -0.12 120.40 120.73 3hig s VAL 514 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hig s VAL 514 Cb -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3hig s VAL 514 CO -0.00 0.30 -0.13 -2.28 0.00 0.00 0.00 175.10 172.99 3hig s HIS 515 N -0.08 2.78 0.03 5.22 2.46 -0.35 -1.65 115.29 123.70 3hig s HIS 515 Ca 0.01 -0.39 0.08 0.00 0.47 0.00 0.00 55.06 55.23 3hig s HIS 515 Cb -0.07 -1.75 -0.03 0.00 -0.13 0.00 0.00 32.58 30.59 3hig s HIS 515 CO 0.00 -0.01 -0.21 0.71 -2.47 0.00 0.00 174.74 172.76 3hig s TYR 516 N -0.17 2.47 -0.23 3.88 1.51 0.07 -0.59 117.35 124.29 3hig s TYR 516 Ca -0.00 -0.32 -0.10 0.00 -1.01 0.00 0.00 57.07 55.64 3hig s TYR 516 Cb -0.13 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 3hig s TYR 516 CO 0.03 0.18 0.14 0.50 -1.11 0.00 0.00 175.55 175.29 3hig s ARG 517 N -1.25 4.07 -0.47 -0.62 3.52 0.17 -1.59 118.95 122.78 3hig s ARG 517 Ca 0.13 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 3hig s ARG 517 Cb -0.10 -3.47 0.13 0.00 -1.56 0.00 0.00 34.95 29.94 3hig s ARG 517 CO 0.03 0.12 0.22 0.08 -0.81 0.00 0.00 175.30 174.95 3hig s VAL 518 N 0.87 2.14 -1.22 7.11 1.01 0.19 -1.13 120.40 129.36 3hig s VAL 518 Ca 0.07 -2.92 -0.13 0.00 0.00 0.00 0.00 61.98 59.00 3hig s VAL 518 Cb -0.13 -2.50 0.18 0.00 0.00 0.00 0.00 36.38 33.93 3hig s VAL 518 CO 0.03 -0.80 1.49 -0.67 0.00 0.00 0.00 175.10 175.14 3hig n ASP 519 N 3.43 5.23 -4.74 3.32 2.03 0.18 -0.87 116.55 125.12 3hig n ASP 519 Ca 0.06 -3.00 -0.41 0.00 0.52 0.00 0.00 54.79 51.95 3hig n ASP 519 Cb 0.34 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 3hig n ASP 519 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hig s LEU 520 N 1.21 4.43 -0.61 -2.67 1.43 -1.26 -0.08 118.68 121.14 3hig s LEU 520 Ca 0.42 2.39 0.05 0.00 -1.03 0.00 0.00 54.13 55.96 3hig s LEU 520 Cb -0.01 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.77 3hig s LEU 520 CO 0.00 -0.48 0.47 0.47 0.23 0.00 0.00 176.35 177.04 3hig n ASP 521 N 2.37 1.99 -4.60 2.29 8.00 -0.05 -4.61 116.55 121.94 3hig n ASP 521 Ca 0.05 -2.98 -0.43 0.00 0.71 0.00 0.00 54.79 52.14 3hig n ASP 521 Cb 0.43 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 3hig n ASP 521 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hig s VAL 522 N -1.11 3.57 -1.89 2.53 1.01 -1.21 -2.65 120.40 120.66 3hig s VAL 522 Ca 0.29 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3hig s VAL 522 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3hig s VAL 522 CO -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 175.10 174.45 3hig n ALA 523 N 9.92 -0.42 0.00 5.51 0.00 0.40 -4.57 120.51 131.35 3hig n ALA 523 Ca 0.21 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3hig n ALA 523 Cb 0.47 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3hig n ALA 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hig n GLY 524 N -0.57 4.00 0.25 0.00 0.00 -1.08 -4.90 105.19 102.89 3hig n GLY 524 Ca -0.20 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 3hig n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hig h THR 525 N 0.92 1.27 -3.65 2.61 1.03 -1.84 -3.40 112.91 109.84 3hig h THR 525 Ca 0.00 -1.32 -0.66 0.00 -0.01 0.00 0.00 66.41 64.42 3hig h THR 525 Cb 0.00 1.28 -0.16 0.00 -1.07 0.00 0.00 68.15 68.19 3hig h THR 525 CO 0.00 0.43 -0.22 -0.54 -0.01 0.00 0.00 175.52 175.19 3hig s LYS 526 N -4.55 3.61 0.25 0.00 1.02 -1.26 -3.64 119.74 115.17 3hig s LYS 526 Ca -0.08 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.62 3hig s LYS 526 Cb 0.13 -3.80 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 3hig s LYS 526 CO 0.82 -0.54 0.02 -0.80 -0.92 0.00 0.00 175.35 173.92 3hig s ASN 527 N 1.73 1.80 0.28 2.83 0.02 0.11 -4.56 114.94 117.15 3hig s ASN 527 Ca 0.14 -1.26 0.05 0.00 -1.02 0.00 0.00 52.86 50.77 3hig s ASN 527 Cb -0.16 0.02 -0.06 0.00 0.02 0.00 0.00 41.25 41.07 3hig s ASN 527 CO 0.12 -0.56 -0.03 -0.44 0.02 0.00 0.00 177.10 176.22 3hig s SER 528 N -3.33 2.54 -0.11 -1.22 0.01 -0.47 -1.21 113.70 109.92 3hig s SER 528 Ca 0.31 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.37 3hig s SER 528 Cb 0.06 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.17 3hig s SER 528 CO 0.10 -0.42 -0.24 0.12 0.41 0.00 0.00 173.24 173.21 3hig s PHE 529 N -3.13 2.57 0.09 2.43 5.36 -1.26 -0.72 117.98 123.32 3hig s PHE 529 Ca 0.31 -1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 55.18 3hig s PHE 529 Cb 0.05 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.97 3hig s PHE 529 CO 0.12 -0.44 0.00 1.14 -1.46 0.00 0.00 175.22 174.58 3hig s GLN 530 N 0.40 0.76 0.10 10.12 -2.07 -0.21 -3.13 119.66 125.63 3hig s GLN 530 Ca -0.17 -1.32 0.05 0.00 -1.82 0.00 0.00 55.36 52.09 3hig s GLN 530 Cb -0.18 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 31.89 3hig s GLN 530 CO 0.08 -0.16 -0.13 0.95 -1.32 0.00 0.00 175.29 174.70 3hig s THR 531 N -3.95 1.18 0.01 3.63 -4.23 -0.78 -0.34 115.64 111.17 3hig s THR 531 Ca 0.15 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 3hig s THR 531 Cb 0.08 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3hig s THR 531 CO -0.05 -0.37 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.68 3hig s LEU 532 N -2.19 2.10 0.10 4.79 1.43 -0.97 -0.73 118.68 123.21 3hig s LEU 532 Ca 0.04 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3hig s LEU 532 Cb -0.06 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 3hig s LEU 532 CO 0.02 0.24 -0.08 -1.10 0.23 0.00 0.00 176.35 175.66 3hig s GLN 533 N -0.85 0.84 -0.03 1.70 1.11 -0.26 -3.20 119.66 118.96 3hig s GLN 533 Ca 0.09 -1.24 -0.16 0.00 0.01 0.00 0.00 55.36 54.06 3hig s GLN 533 Cb -0.09 -0.35 -0.05 0.00 -1.01 0.00 0.00 33.01 31.50 3hig s GLN 533 CO 0.00 0.03 0.43 1.41 0.01 0.00 0.00 175.29 177.17 3hig s MET 534 N -3.31 4.05 0.00 2.91 1.75 -1.26 -0.90 119.30 122.54 3hig s MET 534 Ca 0.09 0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.96 3hig s MET 534 Cb 0.01 -3.28 -0.01 0.00 2.84 0.00 0.00 34.83 34.39 3hig s MET 534 CO -0.02 0.54 -0.05 0.21 -0.65 0.00 0.00 175.02 175.05 3hig s LYS 535 N -0.60 0.41 0.35 4.11 2.20 -0.59 -4.94 119.74 120.68 3hig s LYS 535 Ca 0.24 -0.26 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 3hig s LYS 535 Cb -0.16 -0.36 -0.10 0.00 -1.51 0.00 0.00 37.83 35.70 3hig s LYS 535 CO 0.12 0.09 0.89 -0.51 -0.36 0.00 0.00 175.35 175.58 3hig s LEU 536 N -0.34 4.14 0.27 5.43 1.43 -1.26 -0.11 118.68 128.24 3hig s LEU 536 Ca -0.00 1.64 0.11 0.00 -1.03 0.00 0.00 54.13 54.85 3hig s LEU 536 Cb -0.03 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 3hig s LEU 536 CO -0.00 -0.19 -0.14 -1.83 0.23 0.00 0.00 176.35 174.41 3hig s GLU 537 N -2.64 1.86 -0.29 1.70 -1.05 -0.00 -4.88 118.70 113.40 3hig s GLU 537 Ca 0.55 -1.64 -0.00 0.00 -0.15 0.00 0.00 54.97 53.72 3hig s GLU 537 Cb -0.13 -1.90 0.09 0.00 -0.44 0.00 0.00 34.13 31.75 3hig s GLU 537 CO 0.18 0.35 0.06 1.21 0.95 0.00 0.00 175.26 178.01 3hig s ASN 538 N -3.50 3.99 0.36 0.83 3.84 -1.26 -1.66 114.94 117.54 3hig s ASN 538 Ca 0.30 -1.55 0.08 0.00 0.21 0.00 0.00 52.86 51.89 3hig s ASN 538 Cb -0.06 -1.00 -0.07 0.00 -0.55 0.00 0.00 41.25 39.58 3hig s ASN 538 CO 0.16 -0.37 -0.04 0.27 -2.79 0.00 0.00 177.10 174.33 3hig s ILE 539 N 1.50 2.00 0.18 -5.21 -4.36 0.25 -4.97 121.20 110.61 3hig s ILE 539 Ca 0.06 -2.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.05 3hig s ILE 539 Cb -0.18 -2.77 -0.09 0.00 1.25 0.00 0.00 42.46 40.68 3hig s ILE 539 CO -0.18 -0.12 1.33 -0.89 0.24 0.00 0.00 174.94 175.32 3hig s THR 540 N -2.75 3.21 -0.19 8.37 2.01 -1.26 -0.49 115.64 124.54 3hig s THR 540 Ca 0.33 0.97 -0.28 0.00 0.31 0.00 0.00 61.69 63.01 3hig s THR 540 Cb 0.06 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 3hig s THR 540 CO 0.16 0.13 2.06 0.21 -0.69 0.00 0.00 174.62 176.49 3hig s ASN 541 N 0.49 5.77 0.28 3.53 3.84 -0.04 -4.58 114.94 124.22 3hig s ASN 541 Ca 0.58 1.90 0.22 0.00 0.21 0.00 0.00 52.86 55.78 3hig s ASN 541 Cb -0.37 -2.52 1.05 0.00 -0.55 0.00 0.00 41.25 38.87 3hig s ASN 541 CO 0.37 -1.71 1.67 -0.81 -2.79 0.00 0.00 177.10 173.83 3hig n PRO 542 N 8.41 0.16 -0.02 0.43 -0.04 -1.26 -2.00 135.00 140.68 3hig n PRO 542 Ca 0.26 0.52 0.04 0.00 -0.04 0.00 0.00 63.50 64.28 3hig n PRO 542 Cb 0.45 -1.90 0.05 0.00 -0.04 0.00 0.00 33.50 32.05 3hig n PRO 542 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hig n TRP 543 N -2.23 0.06 -3.06 0.54 4.27 -1.26 -4.79 117.44 110.96 3hig n TRP 543 Ca 0.00 -0.09 -0.14 0.00 -3.89 0.00 0.00 57.50 53.38 3hig n TRP 543 Cb 0.13 -0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.04 3hig n TRP 543 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3hig s SER 544 N -0.71 -0.12 0.60 -0.67 0.15 -0.85 -5.05 113.70 107.04 3hig s SER 544 Ca 0.10 -2.27 0.40 0.00 0.70 0.00 0.00 55.95 54.88 3hig s SER 544 Cb 0.07 0.85 2.01 0.00 -1.71 0.00 0.00 66.02 67.24 3hig s SER 544 CO 0.10 -0.11 2.20 -0.65 1.20 0.00 0.00 173.24 175.97 3hig h PRO 545 N 5.41 0.00 0.00 5.44 0.11 -1.84 0.57 132.00 141.68 3hig h PRO 545 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3hig h PRO 545 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hig h PRO 545 CO 0.17 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.50 3hig n ARG 546 N -3.00 0.17 -4.55 1.05 1.74 -1.26 -4.68 116.66 106.13 3hig n ARG 546 Ca -0.02 0.17 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 3hig n ARG 546 Cb 0.14 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 3hig n ARG 546 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hig s HIS 547 N -2.66 2.45 0.12 -1.55 3.76 0.19 -5.04 115.29 112.56 3hig s HIS 547 Ca 0.13 -0.69 0.09 0.00 -0.15 0.00 0.00 55.06 54.43 3hig s HIS 547 Cb 0.10 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 3hig s HIS 547 CO 0.23 0.37 -0.18 1.03 -0.85 0.00 0.00 174.74 175.34 3hig s ARG 548 N -3.77 1.76 -0.22 1.40 1.81 -1.26 -0.86 118.95 117.81 3hig s ARG 548 Ca 0.33 -1.20 -0.04 0.00 -1.72 0.00 0.00 55.73 53.10 3hig s ARG 548 Cb 0.08 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.48 3hig s ARG 548 CO 0.17 0.47 -0.05 0.08 -0.68 0.00 0.00 175.30 175.30 3hig s VAL 549 N -1.17 3.31 -0.31 3.52 1.01 0.36 -4.64 120.40 122.48 3hig s VAL 549 Ca 0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3hig s VAL 549 Cb -0.10 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3hig s VAL 549 CO 0.10 0.42 0.06 -0.69 0.00 0.00 0.00 175.10 174.99 3hig s VAL 550 N 1.47 3.59 0.12 2.92 1.01 -1.26 -0.58 120.40 127.68 3hig s VAL 550 Ca 0.06 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3hig s VAL 550 Cb -0.14 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3hig s VAL 550 CO -0.04 -0.06 0.29 0.00 0.00 0.00 0.00 175.10 175.29 3hig s GLN 551 N 1.39 1.01 0.35 2.72 -2.07 -0.66 -4.95 119.66 117.45 3hig s GLN 551 Ca -0.01 -0.94 -0.29 0.00 -1.82 0.00 0.00 55.36 52.30 3hig s GLN 551 Cb -0.19 0.40 -0.11 0.00 -1.09 0.00 0.00 33.01 32.02 3hig s GLN 551 CO 0.01 -0.37 1.51 -2.30 -1.32 0.00 0.00 175.29 172.83 3hig n PRO 552 N -0.16 2.64 -4.40 9.60 -0.02 -1.26 -0.82 135.00 140.58 3hig n PRO 552 Ca -0.13 0.93 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3hig n PRO 552 Cb 0.63 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3hig n PRO 552 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hig s THR 553 N -0.73 1.46 -0.26 3.45 -4.23 0.85 -4.84 115.64 111.34 3hig s THR 553 Ca 0.57 -2.10 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 3hig s THR 553 Cb -0.49 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3hig s THR 553 CO 0.58 -0.31 0.14 -0.22 -0.54 0.00 0.00 174.62 174.27 3hig s LEU 554 N -3.40 3.84 -0.12 4.79 2.96 -1.26 -1.54 118.68 123.95 3hig s LEU 554 Ca 0.29 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3hig s LEU 554 Cb 0.04 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3hig s LEU 554 CO 0.11 -0.01 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.25 3hig s GLU 555 N 1.52 3.26 -0.09 1.98 2.12 -0.07 -4.97 118.70 122.45 3hig s GLU 555 Ca 0.07 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 3hig s GLU 555 Cb -0.15 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 3hig s GLU 555 CO 0.07 0.20 -0.00 1.14 -0.54 0.00 0.00 175.26 176.13 3hig s GLN 556 N 0.36 3.05 -0.08 4.30 1.03 -1.26 -1.11 119.66 125.95 3hig s GLN 556 Ca -0.14 -0.42 0.04 0.00 0.04 0.00 0.00 55.36 54.88 3hig s GLN 556 Cb -0.17 -2.81 0.00 0.00 0.03 0.00 0.00 33.01 30.07 3hig s GLN 556 CO 0.07 0.66 -0.20 0.99 -2.54 0.00 0.00 175.29 174.27 3hig s THR 557 N -0.76 1.70 0.14 3.63 2.01 0.09 -5.00 115.64 117.45 3hig s THR 557 Ca 0.12 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3hig s THR 557 Cb -0.12 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 3hig s THR 557 CO 0.02 0.48 0.28 -1.10 -0.69 0.00 0.00 174.62 173.61 3hig s GLN 558 N 0.36 3.45 -0.09 4.92 -1.52 -1.26 -1.86 119.66 123.65 3hig s GLN 558 Ca -0.14 -0.53 0.02 0.00 -1.95 0.00 0.00 55.36 52.75 3hig s GLN 558 Cb -0.16 -2.97 0.01 0.00 -0.22 0.00 0.00 33.01 29.68 3hig s GLN 558 CO 0.06 0.53 -0.15 0.71 -0.25 0.00 0.00 175.29 176.19 3hig s TYR 559 N -1.71 1.84 -0.14 0.91 1.51 -1.18 -5.00 117.35 113.58 3hig s TYR 559 Ca 0.35 -0.81 0.16 0.00 -1.01 0.00 0.00 57.07 55.77 3hig s TYR 559 Cb -0.11 -1.33 -0.23 0.00 -0.11 0.00 0.00 41.96 40.17 3hig s TYR 559 CO 0.28 -0.41 0.13 0.43 -1.11 0.00 0.00 175.55 174.87 3hig n SER 560 N 4.05 0.71 -4.14 2.29 7.64 -1.26 -4.48 113.62 118.42 3hig n SER 560 Ca -0.20 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 3hig n SER 560 Cb 0.51 1.12 -0.14 0.00 -1.01 0.00 0.00 64.21 64.69 3hig n SER 560 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3hig s TRP 561 N -2.60 1.35 0.28 1.43 0.52 -1.26 -0.40 118.94 118.26 3hig s TRP 561 Ca -0.08 -0.30 -0.05 0.00 0.02 0.00 0.00 56.10 55.68 3hig s TRP 561 Cb 0.07 -0.83 0.53 0.00 -1.15 0.00 0.00 33.47 32.08 3hig s TRP 561 CO 0.73 0.01 1.57 0.93 0.02 0.00 0.00 176.95 180.21 3hig h GLU 562 N 5.36 0.01 -0.35 4.98 5.08 -1.22 -0.62 114.58 127.81 3hig h GLU 562 Ca -0.37 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3hig h GLU 562 Cb 1.17 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3hig h GLU 562 CO 0.46 0.00 0.17 -0.09 -1.00 0.00 0.00 179.01 178.56 3hig h ARG 563 N 0.01 0.48 -0.03 2.33 9.65 -1.86 -0.80 114.38 124.15 3hig h ARG 563 Ca 0.50 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 59.27 3hig h ARG 563 Cb 0.86 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 3hig h ARG 563 CO -0.96 0.37 -0.27 1.96 2.80 0.00 0.00 179.97 183.88 3hig h GLN 564 N 0.49 0.06 -0.64 0.20 4.20 -1.52 -2.85 115.11 115.04 3hig h GLN 564 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3hig h GLN 564 Cb 0.05 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3hig h GLN 564 CO -0.02 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 3hig n ALA 565 N -2.48 2.70 -3.23 3.87 0.00 -0.34 -4.79 120.51 116.24 3hig n ALA 565 Ca -0.02 -1.25 -0.46 0.00 0.00 0.00 0.00 53.44 51.72 3hig n ALA 565 Cb 0.33 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3hig n ALA 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hig s ALA 566 N -1.46 3.59 -0.26 0.00 0.00 -1.02 -2.94 121.76 119.67 3hig s ALA 566 Ca 0.44 -2.49 -0.18 0.00 0.00 0.00 0.00 51.96 49.73 3hig s ALA 566 Cb 0.25 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3hig s ALA 566 CO 0.26 -2.19 0.54 -0.06 0.00 0.00 0.00 175.76 174.31 3hig s PHE 567 N 1.93 3.27 0.58 0.00 0.40 -0.12 -5.00 117.98 119.03 3hig s PHE 567 Ca 0.08 0.67 -0.07 0.00 -0.60 0.00 0.00 56.93 57.01 3hig s PHE 567 Cb -0.26 -2.74 -0.01 0.00 0.51 0.00 0.00 43.02 40.52 3hig s PHE 567 CO 0.03 -0.29 0.91 1.03 0.70 0.00 0.00 175.22 177.60 3hig s ARG 568 N 2.35 3.17 0.46 0.44 0.52 -1.26 -3.25 118.95 121.37 3hig s ARG 568 Ca 0.22 0.21 0.13 0.00 -0.52 0.00 0.00 55.73 55.77 3hig s ARG 568 Cb -0.16 -2.24 1.04 0.00 0.52 0.00 0.00 34.95 34.11 3hig s ARG 568 CO 0.09 -0.59 2.05 0.74 0.02 0.00 0.00 175.30 177.61 3hig h PHE 569 N -0.15 0.12 -0.39 -0.53 -1.00 -1.93 -1.97 116.94 111.10 3hig h PHE 569 Ca -0.46 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.24 3hig h PHE 569 Cb 1.23 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 3hig h PHE 569 CO 0.53 0.17 -0.11 0.87 -1.61 0.00 0.00 178.31 178.16 3hig h LYS 570 N 0.13 0.68 -6.96 1.51 1.57 -1.94 -3.45 116.57 108.10 3hig h LYS 570 Ca 0.03 -0.21 -0.50 0.00 -1.87 0.00 0.00 60.65 58.10 3hig h LYS 570 Cb 0.15 -0.06 0.04 0.00 0.08 0.00 0.00 32.23 32.44 3hig h LYS 570 CO 0.01 0.77 0.47 0.50 -0.57 0.00 0.00 179.45 180.62 3hig s ARG 571 N -4.79 4.02 -0.02 3.15 3.52 -0.74 -4.98 118.95 119.10 3hig s ARG 571 Ca -0.08 1.72 -0.30 0.00 -0.13 0.00 0.00 55.73 56.93 3hig s ARG 571 Cb 0.14 -2.57 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 3hig s ARG 571 CO 0.80 -0.32 1.48 -1.59 -0.81 0.00 0.00 175.30 174.86 3hig s LYS 572 N -2.45 4.24 -0.17 5.12 0.00 -1.26 -4.82 119.74 120.40 3hig s LYS 572 Ca 0.59 2.03 -0.24 0.00 0.00 0.00 0.00 55.97 58.35 3hig s LYS 572 Cb -0.27 -3.70 -0.02 0.00 0.00 0.00 0.00 37.83 33.84 3hig s LYS 572 CO 0.34 -0.68 0.77 -1.17 0.00 0.00 0.00 175.35 174.62 3hig s LEU 573 N 2.96 4.17 0.77 2.77 2.96 -1.26 -5.04 118.68 126.01 3hig s LEU 573 Ca 0.66 1.08 -0.14 0.00 -0.22 0.00 0.00 54.13 55.52 3hig s LEU 573 Cb -0.32 -3.14 0.06 0.00 0.50 0.00 0.00 46.19 43.30 3hig s LEU 573 CO 0.26 -0.36 1.19 -2.84 -1.32 0.00 0.00 176.35 173.28 3hig s PRO 574 N 2.04 1.94 0.33 0.98 0.02 -1.26 -4.92 135.00 134.13 3hig s PRO 574 Ca 0.36 1.68 0.17 0.00 0.02 0.00 0.00 61.00 63.23 3hig s PRO 574 Cb -0.16 -1.82 0.27 0.00 0.02 0.00 0.00 34.50 32.81 3hig s PRO 574 CO 0.12 -1.97 1.54 0.87 -0.33 0.00 0.00 177.00 177.23 3hig h LYS 575 N -0.64 0.00 -4.86 5.54 1.79 -1.97 -3.40 116.57 113.02 3hig h LYS 575 Ca -0.46 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.33 3hig h LYS 575 Cb 1.29 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.58 3hig h LYS 575 CO 0.48 0.41 -0.77 0.71 -1.08 0.00 0.00 179.45 179.20 3hig s TYR 576 N -3.14 3.21 -0.41 -1.35 1.51 -1.19 -5.01 117.35 110.96 3hig s TYR 576 Ca 0.03 -2.08 -0.09 0.00 -1.01 0.00 0.00 57.07 53.93 3hig s TYR 576 Cb 0.08 -1.99 0.07 0.00 -0.11 0.00 0.00 41.96 40.02 3hig s TYR 576 CO 0.72 -0.84 0.24 -0.51 -1.11 0.00 0.00 175.55 174.05 3hig s LEU 577 N 1.18 5.06 -0.11 -1.29 1.43 -1.26 -2.30 118.68 121.39 3hig s LEU 577 Ca -0.06 -1.46 0.02 0.00 -1.03 0.00 0.00 54.13 51.59 3hig s LEU 577 Cb -0.19 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3hig s LEU 577 CO -0.05 -0.51 -0.17 -0.76 0.23 0.00 0.00 176.35 175.10 3hig s LEU 578 N 1.42 2.52 -0.29 1.79 1.43 0.54 -1.03 118.68 125.07 3hig s LEU 578 Ca 0.03 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3hig s LEU 578 Cb -0.22 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 3hig s LEU 578 CO 0.02 0.18 0.11 -0.36 0.23 0.00 0.00 176.35 176.54 3hig s PHE 579 N 0.22 3.14 0.05 0.29 0.40 0.20 -1.05 117.98 121.23 3hig s PHE 579 Ca -0.11 -0.55 0.09 0.00 -0.60 0.00 0.00 56.93 55.77 3hig s PHE 579 Cb -0.16 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 3hig s PHE 579 CO 0.06 -0.43 -0.25 0.95 0.70 0.00 0.00 175.22 176.26 3hig s THR 580 N 1.60 2.28 0.22 0.64 -4.23 0.11 -1.20 115.64 115.06 3hig s THR 580 Ca 0.05 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 3hig s THR 580 Cb -0.16 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 3hig s THR 580 CO 0.05 0.34 0.37 -0.55 -0.54 0.00 0.00 174.62 174.28 3hig s SER 581 N -1.35 6.34 0.50 3.99 0.15 0.51 -1.36 113.70 122.48 3hig s SER 581 Ca 0.12 0.23 0.28 0.00 0.70 0.00 0.00 55.95 57.28 3hig s SER 581 Cb -0.10 -1.93 1.26 0.00 -1.71 0.00 0.00 66.02 63.54 3hig s SER 581 CO 0.03 -0.05 1.97 -0.65 1.20 0.00 0.00 173.24 175.73 3hig h PRO 582 N 1.62 0.00 -6.96 5.44 0.11 -1.87 -3.37 132.00 126.97 3hig h PRO 582 Ca -0.50 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 3hig h PRO 582 Cb 1.21 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.43 3hig h PRO 582 CO 0.65 0.14 0.75 -0.65 -0.21 0.00 0.00 178.00 178.68 3hig s GLN 583 N -3.88 3.94 0.10 1.05 -0.21 -1.26 -4.88 119.66 114.52 3hig s GLN 583 Ca -0.01 2.52 0.04 0.00 0.02 0.00 0.00 55.36 57.92 3hig s GLN 583 Cb 0.11 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 3hig s GLN 583 CO 0.59 -0.65 0.08 -1.21 -2.12 0.00 0.00 175.29 171.98 3hig s GLU 584 N -2.24 2.83 0.99 2.91 2.02 -1.26 -1.24 118.70 122.70 3hig s GLU 584 Ca 0.56 -0.75 -0.16 0.00 0.02 0.00 0.00 54.97 54.64 3hig s GLU 584 Cb -0.45 -2.68 0.20 0.00 0.10 0.00 0.00 34.13 31.29 3hig s GLU 584 CO 0.61 0.55 1.24 0.54 0.02 0.00 0.00 175.26 178.22 3hig s ASN 585 N -2.51 2.89 0.30 -0.19 2.20 0.28 -4.85 114.94 113.07 3hig s ASN 585 Ca 0.29 0.48 0.22 0.00 -0.94 0.00 0.00 52.86 52.91 3hig s ASN 585 Cb -0.12 -0.67 1.11 0.00 -2.00 0.00 0.00 41.25 39.57 3hig s ASN 585 CO 0.22 -2.89 1.67 -2.65 -2.94 0.00 0.00 177.10 170.51 3hig n PRO 586 N -3.91 0.16 -0.26 3.55 -0.02 -1.26 -1.73 135.00 131.53 3hig n PRO 586 Ca 0.13 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 3hig n PRO 586 Cb 0.60 -1.93 0.27 0.00 -0.02 0.00 0.00 33.50 32.41 3hig n PRO 586 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hig n TRP 587 N -2.25 0.68 -1.01 6.00 7.02 -1.26 -4.94 117.44 121.68 3hig n TRP 587 Ca -0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 3hig n TRP 587 Cb 0.09 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 3hig n TRP 587 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hig n GLY 588 N 1.50 0.39 3.67 6.99 0.00 -0.71 -5.06 105.19 111.97 3hig n GLY 588 Ca 0.20 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 3hig n GLY 588 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hig s HIS 589 N -2.00 3.00 0.21 1.61 3.76 -1.26 -4.88 115.29 115.73 3hig s HIS 589 Ca 0.00 0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 54.61 3hig s HIS 589 Cb 0.00 -1.59 -0.09 0.00 1.11 0.00 0.00 32.58 32.01 3hig s HIS 589 CO 0.00 0.46 1.41 0.15 -0.85 0.00 0.00 174.74 175.91 3hig s LYS 590 N -1.95 4.30 -0.08 1.40 1.02 -1.26 -0.55 119.74 122.62 3hig s LYS 590 Ca 0.23 2.21 -0.30 0.00 0.02 0.00 0.00 55.97 58.13 3hig s LYS 590 Cb -0.12 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3hig s LYS 590 CO 0.14 -0.39 1.40 1.03 -0.92 0.00 0.00 175.35 176.62 3hig s ARG 591 N -0.02 4.24 0.17 1.68 0.52 -0.37 -4.66 118.95 120.50 3hig s ARG 591 Ca 0.60 1.89 -0.06 0.00 -0.52 0.00 0.00 55.73 57.64 3hig s ARG 591 Cb -0.40 -3.76 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 3hig s ARG 591 CO 0.39 -0.69 0.21 -1.54 0.02 0.00 0.00 175.30 173.69 3hig s SER 592 N 2.30 0.12 0.04 0.23 1.04 -0.75 -0.36 113.70 116.32 3hig s SER 592 Ca 0.62 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 56.06 3hig s SER 592 Cb -0.28 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3hig s SER 592 CO 0.22 -0.87 -0.24 -0.31 0.98 0.00 0.00 173.24 173.02 3hig s TYR 593 N -4.03 2.12 -0.10 5.02 1.51 -0.34 -0.42 117.35 121.10 3hig s TYR 593 Ca 0.24 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3hig s TYR 593 Cb 0.05 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3hig s TYR 593 CO 0.04 0.09 -0.01 0.50 -1.11 0.00 0.00 175.55 175.06 3hig s ARG 594 N -1.12 3.17 -0.21 -0.62 3.52 0.97 -0.63 118.95 124.03 3hig s ARG 594 Ca 0.10 -0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 55.17 3hig s ARG 594 Cb -0.09 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 3hig s ARG 594 CO 0.02 0.57 0.09 -1.17 -0.81 0.00 0.00 175.30 174.00 3hig s LEU 595 N -0.52 3.84 -0.16 -0.88 2.96 -0.20 -0.68 118.68 123.04 3hig s LEU 595 Ca 0.09 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3hig s LEU 595 Cb -0.12 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3hig s LEU 595 CO 0.02 0.11 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.51 3hig s GLN 596 N 0.76 1.62 -0.20 1.98 0.74 -0.09 -4.13 119.66 120.33 3hig s GLN 596 Ca 0.05 -0.51 -0.11 0.00 0.05 0.00 0.00 55.36 54.84 3hig s GLN 596 Cb -0.13 -1.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.94 3hig s GLN 596 CO 0.02 -0.38 0.18 0.42 -0.55 0.00 0.00 175.29 174.98 3hig s ILE 597 N 1.60 5.37 -0.40 -2.34 1.01 -1.26 -0.08 121.20 125.09 3hig s ILE 597 Ca 0.02 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.87 3hig s ILE 597 Cb -0.15 -3.52 0.07 0.00 0.01 0.00 0.00 42.46 38.88 3hig s ILE 597 CO -0.08 0.39 0.22 -2.28 0.00 0.00 0.00 174.94 173.19 3hig s HIS 598 N 0.62 3.35 0.00 3.97 2.46 0.69 -4.98 115.29 121.40 3hig s HIS 598 Ca 0.10 -1.63 -0.26 0.00 0.47 0.00 0.00 55.06 53.74 3hig s HIS 598 Cb -0.12 -2.84 0.06 0.00 -0.13 0.00 0.00 32.58 29.54 3hig s HIS 598 CO 0.01 -0.84 0.58 0.45 -2.47 0.00 0.00 174.74 172.47 3hig s SER 599 N 1.93 -0.53 -0.15 9.88 0.15 -1.26 -1.36 113.70 122.35 3hig s SER 599 Ca 0.03 0.41 0.17 0.00 0.70 0.00 0.00 55.95 57.26 3hig s SER 599 Cb -0.22 0.50 0.34 0.00 -1.71 0.00 0.00 66.02 64.93 3hig s SER 599 CO 0.01 -0.66 1.19 0.23 1.20 0.00 0.00 173.24 175.22 3hig n MET 600 N 0.68 1.48 -1.42 5.44 2.81 0.25 -4.94 117.12 121.41 3hig n MET 600 Ca -0.19 -2.74 -0.31 0.00 -1.81 0.00 0.00 57.70 52.65 3hig n MET 600 Cb 0.59 -1.56 0.08 0.00 -0.71 0.00 0.00 33.22 31.62 3hig n MET 600 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hig s ALA 601 N -2.95 2.33 0.33 3.04 0.00 -0.53 -4.43 121.76 119.55 3hig s ALA 601 Ca 0.34 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 3hig s ALA 601 Cb 0.30 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 20.24 3hig s ALA 601 CO 0.02 -1.62 0.57 0.34 0.00 0.00 0.00 175.76 175.07 3hig s ASP 602 N -3.64 0.36 0.02 0.00 -1.08 -1.26 -4.98 116.67 106.09 3hig s ASP 602 Ca 0.60 -1.21 -0.30 0.00 -0.52 0.00 0.00 52.55 51.12 3hig s ASP 602 Cb -0.16 0.70 -0.07 0.00 -1.46 0.00 0.00 42.92 41.93 3hig s ASP 602 CO 0.55 -1.37 1.70 -1.58 0.52 0.00 0.00 175.17 174.99 3hig s GLN 603 N -3.13 4.18 -0.14 4.34 2.00 -1.26 -4.92 119.66 120.73 3hig s GLN 603 Ca 0.23 2.32 -0.14 0.00 -2.00 0.00 0.00 55.36 55.77 3hig s GLN 603 Cb -0.02 -3.81 -0.05 0.00 0.80 0.00 0.00 33.01 29.93 3hig s GLN 603 CO 0.14 -0.80 -0.28 0.28 -0.50 0.00 0.00 175.29 174.13 3hig n VAL 604 N 5.10 1.22 -3.61 1.34 0.31 -1.26 -5.01 118.33 116.42 3hig n VAL 604 Ca 0.17 0.21 -0.31 0.00 -0.01 0.00 0.00 64.34 64.40 3hig n VAL 604 Cb 0.41 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.12 3hig n VAL 604 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hig s LEU 605 N -7.36 4.23 0.11 7.52 1.43 -1.26 -5.04 118.68 118.31 3hig s LEU 605 Ca -0.23 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 53.18 3hig s LEU 605 Cb 0.03 -3.37 -0.08 0.00 0.03 0.00 0.00 46.19 42.80 3hig s LEU 605 CO 0.35 0.00 1.50 -2.84 0.23 0.00 0.00 176.35 175.59 3hig s PRO 606 N -2.82 4.26 0.08 1.29 0.02 -1.26 -4.91 135.00 131.65 3hig s PRO 606 Ca 0.42 2.20 -0.35 0.00 0.02 0.00 0.00 61.00 63.29 3hig s PRO 606 Cb -0.12 -3.31 -0.15 0.00 0.02 0.00 0.00 34.50 30.94 3hig s PRO 606 CO 0.25 -0.56 1.55 -2.30 -0.33 0.00 0.00 177.00 175.61 3hig n PRO 607 N 4.40 1.79 0.00 5.54 -0.02 -1.26 -1.77 135.00 143.68 3hig n PRO 607 Ca 0.13 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3hig n PRO 607 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3hig n PRO 607 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hig n GLY 608 N 3.31 0.53 3.46 -1.23 0.00 -1.26 -5.03 105.19 104.97 3hig n GLY 608 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3hig n GLY 608 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hig s TRP 609 N -2.16 3.06 0.00 1.61 -0.11 -0.73 -4.91 118.94 115.70 3hig s TRP 609 Ca 0.00 -0.43 0.00 0.00 1.22 0.00 0.00 56.10 56.89 3hig s TRP 609 Cb 0.00 -3.46 0.00 0.00 -1.50 0.00 0.00 33.47 28.51 3hig s TRP 609 CO 0.00 -0.98 0.00 1.04 -4.62 0.00 0.00 176.95 172.39 3hig n GLN 610 N 6.17 0.00 0.32 5.86 1.13 -1.26 -1.20 117.38 128.39 3hig n GLN 610 Ca -0.06 0.00 0.21 0.00 -1.94 0.00 0.00 57.00 55.22 3hig n GLN 610 Cb 0.46 0.00 1.07 0.00 0.11 0.00 0.00 30.24 31.88 3hig n GLN 610 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3hig h GLU 611 N 0.00 0.00 -0.36 -1.09 3.07 -1.93 -2.09 114.58 112.19 3hig h GLU 611 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 3hig h GLU 611 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3hig h GLU 611 CO 0.00 0.00 0.38 1.49 -1.40 0.00 0.00 179.01 179.48 3hig h GLU 612 N 0.00 0.00 -0.27 2.33 4.22 -1.44 -0.93 114.58 118.49 3hig h GLU 612 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.52 3hig h GLU 612 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hig h GLU 612 CO 0.00 0.00 0.29 0.37 -2.18 0.00 0.00 179.01 177.49 3hig h GLN 613 N 0.00 0.00 0.00 1.92 5.75 -1.56 -0.04 115.11 121.18 3hig h GLN 613 Ca 0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3hig h GLN 613 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 3hig h GLN 613 CO -0.00 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 3hig h ALA 614 N 1.68 1.00 -0.83 3.38 0.00 -0.94 -3.37 119.26 120.18 3hig h ALA 614 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.64 3hig h ALA 614 Cb 0.70 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.08 3hig h ALA 614 CO -0.00 0.00 -1.01 0.44 0.00 0.00 0.00 179.25 178.68 3hig n ILE 615 N -2.92 1.67 0.24 0.00 -5.35 -0.04 -4.86 119.36 108.10 3hig n ILE 615 Ca 0.04 -3.59 0.10 0.00 -0.27 0.00 0.00 62.75 59.03 3hig n ILE 615 Cb 0.47 0.16 0.61 0.00 -1.74 0.00 0.00 39.64 39.14 3hig n ILE 615 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3hig h THR 616 N 3.65 0.74 -0.20 7.28 1.35 -1.70 -0.94 112.91 123.09 3hig h THR 616 Ca 0.06 -0.75 0.06 0.00 -0.55 0.00 0.00 66.41 65.22 3hig h THR 616 Cb 1.25 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3hig h THR 616 CO 0.51 0.18 0.20 4.11 -0.25 0.00 0.00 175.52 180.27 3hig h TRP 617 N 0.00 0.00 0.00 4.73 5.08 -1.91 -1.76 115.95 122.09 3hig h TRP 617 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hig h TRP 617 Cb 0.45 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.61 3hig h TRP 617 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3hig n ALA 618 N -2.38 2.50 0.35 0.11 0.00 -0.36 -1.73 120.51 119.01 3hig n ALA 618 Ca 0.02 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3hig n ALA 618 Cb 0.33 -1.31 0.36 0.00 0.00 0.00 0.00 19.45 18.83 3hig n ALA 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hig h ARG 619 N 0.00 0.00 -4.26 0.00 3.08 -1.48 -3.43 114.38 108.28 3hig h ARG 619 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3hig h ARG 619 Cb 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.67 3hig h ARG 619 CO 0.00 0.00 -0.79 0.71 -1.07 0.00 0.00 179.97 178.82 3hig s TYR 620 N -3.28 2.05 0.39 3.04 1.51 -0.71 -3.21 117.35 117.14 3hig s TYR 620 Ca 0.07 -1.42 0.08 0.00 -1.01 0.00 0.00 57.07 54.78 3hig s TYR 620 Cb 0.08 -1.46 0.78 0.00 -0.11 0.00 0.00 41.96 41.25 3hig s TYR 620 CO 0.60 -0.70 1.95 -1.00 -1.11 0.00 0.00 175.55 175.29 3hig h PRO 621 N 8.04 0.38 -3.33 -1.71 0.13 -1.80 -3.27 132.00 130.43 3hig h PRO 621 Ca -0.22 -0.06 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 3hig h PRO 621 Cb 1.09 -0.07 -0.29 0.00 0.13 0.00 0.00 31.00 31.86 3hig h PRO 621 CO 0.42 0.40 -0.59 -1.17 -0.23 0.00 0.00 178.00 176.83 3hig s LEU 622 N -9.06 1.08 0.02 1.56 2.96 -1.26 -1.55 118.68 112.43 3hig s LEU 622 Ca -0.07 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3hig s LEU 622 Cb 0.16 0.40 -0.02 0.00 0.50 0.00 0.00 46.19 47.23 3hig s LEU 622 CO 0.74 -0.10 -0.03 0.00 -1.32 0.00 0.00 176.35 175.63 3hig s ALA 623 N 0.67 0.19 -0.12 5.97 0.00 -0.69 -0.94 121.76 126.84 3hig s ALA 623 Ca -0.05 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3hig s ALA 623 Cb -0.07 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3hig s ALA 623 CO -0.03 -0.08 -0.22 0.08 0.00 0.00 0.00 175.76 175.51 3hig s VAL 624 N -1.03 1.99 0.14 0.00 1.01 -1.15 -0.77 120.40 120.59 3hig s VAL 624 Ca -0.10 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.00 3hig s VAL 624 Cb -0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3hig s VAL 624 CO -0.00 0.54 -0.19 0.42 0.00 0.00 0.00 175.10 175.87 3hig s THR 625 N 0.60 1.74 0.15 3.92 -4.23 -0.10 -4.70 115.64 113.03 3hig s THR 625 Ca -0.13 -1.76 -0.31 0.00 -1.18 0.00 0.00 61.69 58.32 3hig s THR 625 Cb -0.17 -1.71 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 3hig s THR 625 CO 0.03 -0.22 1.34 -0.75 -0.54 0.00 0.00 174.62 174.49 3hig s LYS 626 N -2.43 4.36 0.21 3.99 2.20 -1.26 0.56 119.74 127.36 3hig s LYS 626 Ca 0.12 2.05 -0.32 0.00 -0.36 0.00 0.00 55.97 57.45 3hig s LYS 626 Cb -0.07 -3.23 -0.14 0.00 -1.51 0.00 0.00 37.83 32.88 3hig s LYS 626 CO 0.05 -0.35 1.45 0.98 -0.36 0.00 0.00 175.35 177.13 3hig n TYR 627 N 3.36 2.16 -3.79 4.03 4.19 0.87 -4.85 117.16 123.13 3hig n TYR 627 Ca 0.09 0.39 -0.13 0.00 3.31 0.00 0.00 57.90 61.57 3hig n TYR 627 Cb 0.43 -2.48 -0.12 0.00 0.49 0.00 0.00 39.34 37.66 3hig n TYR 627 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3hig s ARG 628 N 0.04 0.22 0.63 2.98 0.52 -1.26 -5.00 118.95 117.08 3hig s ARG 628 Ca 0.72 0.33 0.41 0.00 -0.52 0.00 0.00 55.73 56.67 3hig s ARG 628 Cb -0.67 0.05 2.10 0.00 0.52 0.00 0.00 34.95 36.95 3hig s ARG 628 CO 0.46 -0.06 2.26 0.93 0.02 0.00 0.00 175.30 178.90 3hig h GLU 629 N 6.17 0.00 -0.14 3.54 4.39 -2.02 -0.89 114.58 125.62 3hig h GLU 629 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hig h GLU 629 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3hig h GLU 629 CO 0.38 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.11 3hig n SER 630 N -3.12 1.28 -2.63 1.42 3.41 -1.26 -4.20 113.62 108.52 3hig n SER 630 Ca -0.02 -1.68 -0.11 0.00 -0.26 0.00 0.00 58.87 56.80 3hig n SER 630 Cb 0.14 -0.09 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3hig n SER 630 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hig n GLU 631 N 0.08 1.63 0.14 4.33 1.02 -0.34 -4.88 120.64 122.61 3hig n GLU 631 Ca 0.15 -3.50 0.06 0.00 -0.02 0.00 0.00 57.16 53.85 3hig n GLU 631 Cb 0.26 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.26 3hig n GLU 631 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hig h LEU 632 N 2.88 0.00 -8.29 -4.62 3.38 -1.73 -3.44 115.31 103.48 3hig h LEU 632 Ca -0.03 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.53 3hig h LEU 632 Cb 1.15 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.66 3hig h LEU 632 CO 0.53 0.28 -0.78 0.00 0.09 0.00 0.00 178.44 178.56 3hig n SER 634 N 1.85 0.73 -1.06 0.00 3.41 -1.26 -4.98 113.62 112.30 3hig n SER 634 Ca -0.19 -0.57 -0.01 0.00 -0.26 0.00 0.00 58.87 57.85 3hig n SER 634 Cb 0.55 0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3hig n SER 634 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hig n SER 635 N -1.56 -0.02 -3.58 4.04 2.88 -1.26 -4.60 113.62 109.52 3hig n SER 635 Ca 0.04 -1.06 -0.10 0.00 -1.33 0.00 0.00 58.87 56.43 3hig n SER 635 Cb 0.35 0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.84 3hig n SER 635 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hig s SER 636 N -1.06 -0.43 0.15 -3.46 1.04 -1.26 -4.95 113.70 103.72 3hig s SER 636 Ca 0.01 -0.20 0.12 0.00 0.48 0.00 0.00 55.95 56.36 3hig s SER 636 Cb 0.00 0.61 0.61 0.00 0.10 0.00 0.00 66.02 67.34 3hig s SER 636 CO 0.01 -1.04 1.36 2.30 0.98 0.00 0.00 173.24 176.85 3hig n ILE 637 N -0.39 1.44 0.32 -1.02 -5.35 -1.26 -2.41 119.36 110.69 3hig n ILE 637 Ca -0.12 0.56 0.11 0.00 -0.27 0.00 0.00 62.75 63.04 3hig n ILE 637 Cb 0.63 -1.54 0.02 0.00 -1.74 0.00 0.00 39.64 37.01 3hig n ILE 637 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hig n TYR 638 N -1.87 0.56 -0.17 4.28 4.02 -1.26 -4.28 117.16 118.43 3hig n TYR 638 Ca -0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3hig n TYR 638 Cb 0.04 -0.68 0.25 0.00 -0.02 0.00 0.00 39.34 38.93 3hig n TYR 638 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hig h HIS 639 N 0.00 0.88 -0.51 -0.72 3.86 -1.76 -1.69 115.15 115.21 3hig h HIS 639 Ca 0.00 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3hig h HIS 639 Cb 0.87 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 28.99 3hig h HIS 639 CO 0.00 0.60 0.20 0.37 0.86 0.00 0.00 177.93 179.95 3hig h GLN 640 N 0.92 0.37 0.00 2.45 5.75 -1.79 -2.40 115.11 120.41 3hig h GLN 640 Ca 0.24 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3hig h GLN 640 Cb -0.01 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.46 3hig h GLN 640 CO -0.04 0.25 -1.00 0.09 -2.65 0.00 0.00 178.83 175.47 3hig n ASN 641 N -4.98 0.92 -3.35 -0.69 3.02 -1.11 -4.30 115.26 104.76 3hig n ASN 641 Ca 0.05 -0.93 -0.26 0.00 -0.03 0.00 0.00 54.58 53.42 3hig n ASN 641 Cb 0.19 1.05 -0.08 0.00 -0.61 0.00 0.00 39.78 40.33 3hig n ASN 641 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hig n ASP 642 N -1.51 1.78 0.07 6.41 -0.08 -0.65 -4.50 116.55 118.06 3hig n ASP 642 Ca 0.03 -3.01 0.11 0.00 -1.51 0.00 0.00 54.79 50.42 3hig n ASP 642 Cb 0.33 -0.65 0.45 0.00 2.34 0.00 0.00 41.12 43.58 3hig n ASP 642 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hig n PRO 643 N 1.33 0.13 0.10 -0.67 -0.04 -0.91 -2.91 135.00 132.03 3hig n PRO 643 Ca 0.25 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 3hig n PRO 643 Cb 0.47 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 3hig n PRO 643 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hig h TRP 644 N 0.00 0.55 -2.03 0.54 6.55 -1.86 -2.90 115.95 116.79 3hig h TRP 644 Ca 0.00 -0.38 -0.52 0.00 0.95 0.00 0.00 58.89 58.94 3hig h TRP 644 Cb 0.45 -0.03 -0.40 0.00 -0.86 0.00 0.00 29.16 28.32 3hig h TRP 644 CO 0.00 1.27 -1.10 -3.47 -1.05 0.00 0.00 178.44 174.09 3hig n ASP 645 N -3.59 1.01 -4.87 -3.49 2.03 -1.20 -4.89 116.55 101.55 3hig n ASP 645 Ca -0.09 -2.97 -0.30 0.00 0.52 0.00 0.00 54.79 51.95 3hig n ASP 645 Cb 0.99 -0.62 0.04 0.00 -0.72 0.00 0.00 41.12 40.80 3hig n ASP 645 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hig s PRO 646 N -2.09 3.06 0.03 -0.67 0.04 -1.14 -4.96 135.00 129.27 3hig s PRO 646 Ca 0.39 0.58 0.23 0.00 0.04 0.00 0.00 61.00 62.24 3hig s PRO 646 Cb 0.27 -2.03 0.96 0.00 0.04 0.00 0.00 34.50 33.74 3hig s PRO 646 CO -0.09 -0.92 1.73 -0.35 0.04 0.00 0.00 177.00 177.41 3hig n PRO 647 N -2.95 0.03 -3.77 0.56 -0.04 -1.26 -4.59 135.00 122.97 3hig n PRO 647 Ca 0.07 0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 3hig n PRO 647 Cb 0.56 -1.55 -0.18 0.00 -0.04 0.00 0.00 33.50 32.30 3hig n PRO 647 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hig s VAL 648 N -3.03 0.34 -0.36 0.52 1.01 -1.26 -5.10 120.40 112.52 3hig s VAL 648 Ca 0.11 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 3hig s VAL 648 Cb 0.14 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 36.12 3hig s VAL 648 CO 0.43 0.25 0.10 -0.69 0.00 0.00 0.00 175.10 175.19 3hig s VAL 649 N 1.95 2.91 0.25 2.92 1.01 -1.26 -4.86 120.40 123.32 3hig s VAL 649 Ca 0.04 -1.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.00 3hig s VAL 649 Cb -0.12 -2.95 0.28 0.00 0.00 0.00 0.00 36.38 33.60 3hig s VAL 649 CO -0.05 -0.51 1.63 0.15 0.00 0.00 0.00 175.10 176.33 3hig h PHE 650 N 7.91 -0.03 -1.07 5.22 3.57 -1.87 0.66 116.94 131.32 3hig h PHE 650 Ca -0.13 0.06 0.30 0.00 3.53 0.00 0.00 57.97 61.73 3hig h PHE 650 Cb 1.04 0.14 -0.12 0.00 2.79 0.00 0.00 35.95 39.80 3hig h PHE 650 CO 0.55 -0.24 0.66 1.49 -2.23 0.00 0.00 178.31 178.53 3hig h GLU 651 N 0.11 0.35 0.00 1.11 4.57 -1.96 0.73 114.58 119.50 3hig h GLU 651 Ca 0.42 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.57 3hig h GLU 651 Cb 0.76 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3hig h GLU 651 CO -0.67 0.23 -0.08 1.96 -1.18 0.00 0.00 179.01 179.27 3hig h GLN 652 N 0.37 0.00 -0.05 1.92 4.20 -1.30 -0.90 115.11 119.35 3hig h GLN 652 Ca 0.68 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.40 3hig h GLN 652 Cb 1.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.44 3hig h GLN 652 CO -0.43 0.08 0.06 0.74 -0.67 0.00 0.00 178.83 178.61 3hig h PHE 653 N 0.00 0.00 -0.01 2.96 -1.00 -0.94 -1.52 116.94 116.43 3hig h PHE 653 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hig h PHE 653 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 3hig h PHE 653 CO 0.00 0.00 -0.35 1.28 -1.61 0.00 0.00 178.31 177.63 3hig n LEU 654 N -3.67 1.63 -0.22 1.54 4.77 -0.35 -4.54 117.00 116.17 3hig n LEU 654 Ca -0.02 -0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 55.36 3hig n LEU 654 Cb 0.15 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 3hig n LEU 654 CO 0.26 0.30 1.01 -0.74 -1.33 0.00 0.00 177.39 176.88 3hig h HIS 655 N 2.00 1.07 -0.00 -1.77 2.76 -1.29 -1.61 115.15 116.31 3hig h HIS 655 Ca 0.00 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3hig h HIS 655 Cb 0.65 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3hig h HIS 655 CO 0.00 0.85 -0.05 0.27 -1.30 0.00 0.00 177.93 177.69 3hig n ASN 656 N -4.27 0.18 -3.87 3.26 0.23 -1.26 -4.95 115.26 104.57 3hig n ASN 656 Ca 0.06 -0.28 -0.34 0.00 -0.53 0.00 0.00 54.58 53.48 3hig n ASN 656 Cb 0.21 -0.20 0.01 0.00 -2.08 0.00 0.00 39.78 37.73 3hig n ASN 656 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hig n ASN 657 N -1.18 -4.73 -4.90 0.53 5.15 -0.61 -4.89 115.26 104.63 3hig n ASN 657 Ca 0.14 -1.08 -0.28 0.00 -0.60 0.00 0.00 54.58 52.75 3hig n ASN 657 Cb 0.26 -2.02 0.04 0.00 -0.53 0.00 0.00 39.78 37.53 3hig n ASN 657 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hig s GLU 658 N -6.06 2.94 0.15 1.20 2.02 -1.26 -4.54 118.70 113.15 3hig s GLU 658 Ca 0.27 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.20 3hig s GLU 658 Cb -0.14 -2.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.86 3hig s GLU 658 CO 0.92 -0.83 1.24 1.21 0.02 0.00 0.00 175.26 177.81 3hig s ASN 659 N -4.32 7.03 -0.16 -0.19 3.84 -1.26 -0.83 114.94 119.04 3hig s ASN 659 Ca 0.56 2.22 0.16 0.00 0.21 0.00 0.00 52.86 56.00 3hig s ASN 659 Cb -0.11 -2.60 0.34 0.00 -0.55 0.00 0.00 41.25 38.34 3hig s ASN 659 CO 0.48 -0.45 1.18 2.30 -2.79 0.00 0.00 177.10 177.83 3hig n ILE 660 N 3.02 2.02 -2.93 -5.21 -5.35 0.47 -4.89 119.36 106.48 3hig n ILE 660 Ca 0.06 -2.64 -0.41 0.00 -0.27 0.00 0.00 62.75 59.50 3hig n ILE 660 Cb 0.44 -0.24 -0.04 0.00 -1.74 0.00 0.00 39.64 38.06 3hig n ILE 660 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3hig s GLU 661 N -3.02 4.26 -1.22 6.28 2.02 -1.26 -4.34 118.70 121.43 3hig s GLU 661 Ca 0.34 0.93 -0.08 0.00 0.02 0.00 0.00 54.97 56.18 3hig s GLU 661 Cb 0.32 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 3hig s GLU 661 CO -0.01 -0.34 0.73 -1.71 0.02 0.00 0.00 175.26 173.95 3hig n ASN 662 N 5.32 -3.32 -4.15 -0.19 5.15 -0.90 -4.99 115.26 112.18 3hig n ASN 662 Ca 0.04 -0.90 -0.22 0.00 -0.60 0.00 0.00 54.58 52.89 3hig n ASN 662 Cb 0.49 -3.86 -0.09 0.00 -0.53 0.00 0.00 39.78 35.79 3hig n ASN 662 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hig s GLU 663 N -5.82 1.76 -0.55 1.20 0.41 -0.35 -4.67 118.70 110.68 3hig s GLU 663 Ca 0.24 -2.03 -0.28 0.00 -0.41 0.00 0.00 54.97 52.48 3hig s GLU 663 Cb -0.07 -0.50 0.02 0.00 -1.78 0.00 0.00 34.13 31.80 3hig s GLU 663 CO 0.83 -0.41 1.33 0.34 -0.49 0.00 0.00 175.26 176.87 3hig s ASP 664 N -3.50 6.26 0.10 -0.19 -1.08 -1.24 0.06 116.67 117.07 3hig s ASP 664 Ca 0.30 0.28 -0.00 0.00 -0.52 0.00 0.00 52.55 52.61 3hig s ASP 664 Cb 0.05 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 3hig s ASP 664 CO 0.16 -1.60 0.25 -0.76 0.52 0.00 0.00 175.17 173.74 3hig s LEU 665 N 5.60 4.34 -0.08 -1.34 1.43 -1.26 -0.09 118.68 127.28 3hig s LEU 665 Ca 0.50 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3hig s LEU 665 Cb -0.10 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.14 3hig s LEU 665 CO 0.26 0.12 -0.09 -0.69 0.23 0.00 0.00 176.35 176.18 3hig s VAL 666 N -1.60 1.01 -0.00 -1.59 1.01 0.19 -4.24 120.40 115.19 3hig s VAL 666 Ca 0.36 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3hig s VAL 666 Cb -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 3hig s VAL 666 CO 0.28 0.34 0.41 0.00 0.00 0.00 0.00 175.10 176.14 3hig s ALA 667 N 1.11 3.68 -0.10 5.51 0.00 -0.05 -0.92 121.76 130.99 3hig s ALA 667 Ca -0.07 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3hig s ALA 667 Cb -0.14 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.58 3hig s ALA 667 CO -0.01 0.45 -0.19 -1.58 0.00 0.00 0.00 175.76 174.43 3hig s TRP 668 N -0.98 2.16 -0.11 0.00 0.52 0.05 0.54 118.94 121.13 3hig s TRP 668 Ca 0.24 -0.95 0.02 0.00 0.02 0.00 0.00 56.10 55.43 3hig s TRP 668 Cb -0.17 -1.50 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 3hig s TRP 668 CO 0.13 -0.43 -0.15 0.08 0.02 0.00 0.00 176.95 176.59 3hig s VAL 669 N 0.67 1.51 -0.21 4.03 1.01 -0.62 -1.71 120.40 125.09 3hig s VAL 669 Ca -0.13 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3hig s VAL 669 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3hig s VAL 669 CO 0.03 0.44 0.09 -0.89 0.00 0.00 0.00 175.10 174.77 3hig s THR 670 N 0.96 4.83 0.06 3.92 2.01 -0.60 -0.75 115.64 126.07 3hig s THR 670 Ca -0.07 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 61.97 3hig s THR 670 Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3hig s THR 670 CO -0.01 0.40 -0.14 0.68 -0.69 0.00 0.00 174.62 174.86 3hig s VAL 671 N 0.85 1.09 -0.30 3.82 -7.23 -0.66 -4.61 120.40 113.35 3hig s VAL 671 Ca 0.05 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3hig s VAL 671 Cb -0.13 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.77 3hig s VAL 671 CO 0.02 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 3hig n GLY 672 N 1.43 -1.25 3.54 2.32 0.00 -1.26 -0.59 105.19 109.38 3hig n GLY 672 Ca -0.21 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 3hig n GLY 672 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hig s PHE 673 N -2.95 -0.60 0.07 1.61 -0.12 -0.51 -0.58 117.98 114.90 3hig s PHE 673 Ca 0.00 1.08 -0.30 0.00 -0.05 0.00 0.00 56.93 57.65 3hig s PHE 673 Cb 0.00 0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 3hig s PHE 673 CO 0.00 -0.53 1.16 -1.17 -0.05 0.00 0.00 175.22 174.63 3hig s LEU 674 N -1.04 4.39 -0.29 -1.99 2.96 -1.26 -1.36 118.68 120.10 3hig s LEU 674 Ca -0.08 1.99 0.03 0.00 -0.22 0.00 0.00 54.13 55.85 3hig s LEU 674 Cb -0.01 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.18 3hig s LEU 674 CO 0.07 -0.41 -0.04 -2.28 -1.32 0.00 0.00 176.35 172.38 3hig s HIS 675 N 0.85 3.21 -0.40 5.38 5.65 0.83 -4.97 115.29 125.85 3hig s HIS 675 Ca 0.57 -2.43 -0.16 0.00 0.25 0.00 0.00 55.06 53.28 3hig s HIS 675 Cb -0.29 -2.19 0.01 0.00 -1.18 0.00 0.00 32.58 28.93 3hig s HIS 675 CO 0.30 -0.89 0.40 0.42 -0.65 0.00 0.00 174.74 174.32 3hig s ILE 676 N 1.11 5.13 0.68 0.89 1.01 -1.26 -2.32 121.20 126.44 3hig s ILE 676 Ca -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 3hig s ILE 676 Cb -0.19 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3hig s ILE 676 CO -0.07 -0.31 1.16 -2.84 0.00 0.00 0.00 174.94 172.88 3hig s PRO 677 N 2.05 2.56 0.17 2.79 0.02 -1.26 -5.03 135.00 136.30 3hig s PRO 677 Ca 0.11 1.60 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 3hig s PRO 677 Cb -0.17 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 3hig s PRO 677 CO 0.13 -1.48 0.21 -3.38 -0.33 0.00 0.00 177.00 172.14 3hig s HIS 678 N -2.09 0.72 0.55 6.54 -3.43 -1.26 -4.50 115.29 111.81 3hig s HIS 678 Ca 0.71 -1.05 0.26 0.00 -0.80 0.00 0.00 55.06 54.19 3hig s HIS 678 Cb -0.25 -0.27 1.65 0.00 -1.43 0.00 0.00 32.58 32.27 3hig s HIS 678 CO 0.42 -0.68 2.21 0.66 -2.00 0.00 0.00 174.74 175.34 3hig h SER 679 N 2.62 0.00 0.57 7.38 4.64 -1.91 0.48 113.55 127.33 3hig h SER 679 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3hig h SER 679 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3hig h SER 679 CO 0.51 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.87 3hig n GLU 680 N -3.97 0.01 0.00 4.77 4.71 -1.26 -1.89 120.64 123.01 3hig n GLU 680 Ca -0.03 0.21 0.12 0.00 -0.01 0.00 0.00 57.16 57.45 3hig n GLU 680 Cb 0.11 -1.50 0.63 0.00 -1.01 0.00 0.00 31.44 29.67 3hig n GLU 680 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hig n ASP 681 N -1.49 0.00 -4.70 1.62 8.00 0.16 -4.75 116.55 115.38 3hig n ASP 681 Ca 0.04 -0.28 -0.36 0.00 0.71 0.00 0.00 54.79 54.90 3hig n ASP 681 Cb 0.19 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3hig n ASP 681 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hig s ILE 682 N -2.38 5.36 0.13 0.53 -1.09 -0.79 -1.87 121.20 121.08 3hig s ILE 682 Ca 0.27 0.28 0.13 0.00 -2.23 0.00 0.00 60.65 59.10 3hig s ILE 682 Cb 0.16 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3hig s ILE 682 CO 0.33 0.38 1.53 1.55 -1.23 0.00 0.00 174.94 177.50 3hig h PRO 683 N 7.05 0.00 -5.49 2.79 0.13 -1.83 -3.49 132.00 131.16 3hig h PRO 683 Ca -0.39 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.30 3hig h PRO 683 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.09 3hig h PRO 683 CO 0.72 0.63 -0.78 -0.80 -0.23 0.00 0.00 178.00 177.54 3hig s ASN 684 N -6.63 1.92 0.27 1.44 0.02 -0.78 -4.59 114.94 106.59 3hig s ASN 684 Ca 0.01 -0.70 -0.29 0.00 -1.02 0.00 0.00 52.86 50.85 3hig s ASN 684 Cb 0.11 -0.07 -0.10 0.00 0.02 0.00 0.00 41.25 41.21 3hig s ASN 684 CO 0.75 -0.08 1.31 0.42 0.02 0.00 0.00 177.10 179.52 3hig s THR 685 N -1.58 2.92 0.22 1.60 -4.23 0.10 -4.45 115.64 110.22 3hig s THR 685 Ca 0.03 0.85 0.05 0.00 -1.18 0.00 0.00 61.69 61.44 3hig s THR 685 Cb -0.08 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 3hig s THR 685 CO 0.03 0.17 0.32 0.00 -0.54 0.00 0.00 174.62 174.60 3hig s ALA 686 N -0.59 3.89 0.19 3.99 0.00 -1.26 -3.43 121.76 124.55 3hig s ALA 686 Ca 0.52 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3hig s ALA 686 Cb -0.38 -1.68 0.08 0.00 0.00 0.00 0.00 23.12 21.14 3hig s ALA 686 CO 0.46 0.32 1.44 1.79 0.00 0.00 0.00 175.76 179.77 3hig h THR 687 N 1.34 1.48 -2.53 0.00 1.35 -1.91 -3.41 112.91 109.22 3hig h THR 687 Ca -0.51 -2.47 -0.54 0.00 -0.55 0.00 0.00 66.41 62.34 3hig h THR 687 Cb 1.22 2.35 0.06 0.00 -1.73 0.00 0.00 68.15 70.05 3hig h THR 687 CO 0.63 0.72 0.94 -2.65 -0.25 0.00 0.00 175.52 174.91 3hig n PRO 688 N -3.70 2.58 -0.79 4.72 -0.02 -1.26 -0.18 135.00 136.35 3hig n PRO 688 Ca -0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3hig n PRO 688 Cb 0.75 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3hig n PRO 688 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hig n GLY 689 N 3.80 0.24 2.58 -1.23 0.00 -1.26 -4.88 105.19 104.44 3hig n GLY 689 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hig n GLY 689 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hig n ASN 690 N -0.28 5.89 -4.13 1.61 3.02 0.74 -4.98 115.26 117.13 3hig n ASN 690 Ca 0.00 -3.77 -0.19 0.00 -0.03 0.00 0.00 54.58 50.59 3hig n ASN 690 Cb 0.14 -0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 38.49 3hig n ASN 690 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hig s SER 691 N -2.59 1.55 0.16 6.41 1.04 -1.26 -2.07 113.70 116.94 3hig s SER 691 Ca 0.51 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3hig s SER 691 Cb 0.42 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3hig s SER 691 CO -0.24 -0.01 0.04 0.68 0.98 0.00 0.00 173.24 174.69 3hig s VAL 692 N -0.96 0.41 -4.24 5.02 -7.23 -0.83 -4.92 120.40 107.64 3hig s VAL 692 Ca -0.00 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3hig s VAL 692 Cb -0.08 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3hig s VAL 692 CO 0.01 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 3hig n GLY 693 N -0.20 -0.52 3.34 2.32 0.00 -0.47 -1.24 105.19 108.43 3hig n GLY 693 Ca -0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 3hig n GLY 693 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hig s PHE 694 N -3.46 -0.29 0.09 1.61 -0.12 -0.68 -0.23 117.98 114.89 3hig s PHE 694 Ca 0.00 0.06 0.06 0.00 -0.05 0.00 0.00 56.93 57.01 3hig s PHE 694 Cb 0.00 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3hig s PHE 694 CO 0.00 -0.71 -0.10 -0.51 -0.05 0.00 0.00 175.22 173.85 3hig s LEU 695 N -2.63 3.04 -0.20 -1.99 1.02 0.88 -0.75 118.68 118.06 3hig s LEU 695 Ca 0.01 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.82 3hig s LEU 695 Cb 0.01 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.42 3hig s LEU 695 CO -0.10 0.20 -0.17 -0.76 0.02 0.00 0.00 176.35 175.54 3hig s LEU 696 N -2.05 2.52 -0.05 1.79 1.43 0.36 -0.91 118.68 121.76 3hig s LEU 696 Ca 0.20 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3hig s LEU 696 Cb -0.11 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 3hig s LEU 696 CO 0.12 -0.05 -0.22 -0.13 0.23 0.00 0.00 176.35 176.31 3hig s ARG 697 N 1.25 2.24 0.30 1.70 0.52 0.14 -2.01 118.95 123.09 3hig s ARG 697 Ca 0.02 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 3hig s ARG 697 Cb -0.15 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.31 3hig s ARG 697 CO -0.10 0.31 1.40 -1.25 0.02 0.00 0.00 175.30 175.68 3hig s PRO 698 N -0.05 4.27 -0.29 3.54 0.04 -1.26 -0.02 135.00 141.23 3hig s PRO 698 Ca -0.04 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 3hig s PRO 698 Cb -0.13 -3.07 0.10 0.00 0.04 0.00 0.00 34.50 31.43 3hig s PRO 698 CO 0.03 -0.36 0.11 0.12 0.04 0.00 0.00 177.00 176.94 3hig s PHE 699 N -0.56 1.06 -1.89 0.56 5.36 0.44 -4.75 117.98 118.20 3hig s PHE 699 Ca 0.55 -1.31 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3hig s PHE 699 Cb -0.42 -1.32 0.00 0.00 -0.34 0.00 0.00 43.02 40.94 3hig s PHE 699 CO 0.50 -0.84 0.00 0.09 -1.46 0.00 0.00 175.22 173.51 3hig n ASN 700 N 5.03 -5.45 0.05 6.13 3.02 -1.26 -1.82 115.26 120.97 3hig n ASN 700 Ca -0.04 0.26 -0.21 0.00 -0.03 0.00 0.00 54.58 54.56 3hig n ASN 700 Cb 0.42 -4.58 -0.15 0.00 -0.61 0.00 0.00 39.78 34.87 3hig n ASN 700 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hig h PHE 701 N 0.00 0.58 -2.94 3.10 3.04 -1.84 -3.34 116.94 115.54 3hig h PHE 701 Ca -0.43 -0.42 -0.61 0.00 3.98 0.00 0.00 57.97 60.49 3hig h PHE 701 Cb 1.30 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.71 3hig h PHE 701 CO 0.53 1.45 -0.57 -0.06 -2.02 0.00 0.00 178.31 177.64 3hig s PHE 702 N -2.48 3.21 0.34 0.41 0.40 -1.26 -4.90 117.98 113.72 3hig s PHE 702 Ca -0.15 0.06 0.18 0.00 -0.60 0.00 0.00 56.93 56.41 3hig s PHE 702 Cb 0.03 -1.59 0.93 0.00 0.51 0.00 0.00 43.02 42.89 3hig s PHE 702 CO 0.83 0.52 1.88 -1.35 0.70 0.00 0.00 175.22 177.80 3hig h PRO 703 N 2.87 0.00 -3.84 0.24 0.11 -2.00 -3.45 132.00 125.91 3hig h PRO 703 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 3hig h PRO 703 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3hig h PRO 703 CO 0.66 0.29 -0.07 -1.83 -0.21 0.00 0.00 178.00 176.84 3hig s GLU 704 N -4.10 2.01 -0.34 1.05 -1.05 -1.26 -4.99 118.70 110.02 3hig s GLU 704 Ca -0.02 -1.69 -0.41 0.00 -0.15 0.00 0.00 54.97 52.70 3hig s GLU 704 Cb 0.13 0.49 -0.16 0.00 -0.44 0.00 0.00 34.13 34.16 3hig s GLU 704 CO 0.68 -0.87 1.81 -3.47 0.95 0.00 0.00 175.26 174.36 3hig n ASP 705 N -1.45 2.07 0.15 0.83 2.03 -1.26 -4.84 116.55 114.09 3hig n ASP 705 Ca -0.01 0.99 0.13 0.00 0.52 0.00 0.00 54.79 56.41 3hig n ASP 705 Cb 0.61 -1.10 0.51 0.00 -0.72 0.00 0.00 41.12 40.43 3hig n ASP 705 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hig h PRO 706 N 7.63 0.00 0.00 -0.67 0.13 -1.91 -2.76 132.00 134.42 3hig h PRO 706 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hig h PRO 706 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3hig h PRO 706 CO 0.98 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.62 3hig n SER 707 N -2.35 0.00 0.28 1.44 3.41 -1.26 -3.62 113.62 111.52 3hig n SER 707 Ca 0.02 -0.25 0.16 0.00 -0.26 0.00 0.00 58.87 58.55 3hig n SER 707 Cb 0.25 -0.17 0.81 0.00 -0.26 0.00 0.00 64.21 64.84 3hig n SER 707 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hig h LEU 708 N 0.00 0.00 -2.12 1.04 3.38 -1.85 -0.97 115.31 114.79 3hig h LEU 708 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hig h LEU 708 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hig h LEU 708 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3hig h ALA 709 N 1.94 1.00 -2.78 1.53 0.00 -1.84 -3.45 119.26 115.65 3hig h ALA 709 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3hig h ALA 709 Cb 0.33 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.20 3hig h ALA 709 CO 0.01 0.00 0.83 0.45 0.00 0.00 0.00 179.25 180.54 3hig s SER 710 N -5.37 6.49 0.00 0.00 0.15 -0.37 -4.90 113.70 109.69 3hig s SER 710 Ca -0.02 2.84 0.26 0.00 0.70 0.00 0.00 55.95 59.74 3hig s SER 710 Cb 0.11 -2.63 0.78 0.00 -1.71 0.00 0.00 66.02 62.57 3hig s SER 710 CO 0.47 -0.83 1.59 0.54 1.20 0.00 0.00 173.24 176.22 3hig n ARG 711 N 2.19 1.87 0.25 5.44 5.12 -1.26 -4.09 116.66 126.17 3hig n ARG 711 Ca 0.07 -1.27 0.15 0.00 -1.93 0.00 0.00 57.85 54.88 3hig n ARG 711 Cb 0.39 -1.47 0.49 0.00 -1.16 0.00 0.00 32.46 30.70 3hig n ARG 711 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3hig h ASP 712 N 3.04 0.00 -2.78 0.55 3.32 -1.91 -3.31 116.42 115.33 3hig h ASP 712 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3hig h ASP 712 Cb 0.65 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.30 3hig h ASP 712 CO 0.00 0.00 0.38 0.41 -1.72 0.00 0.00 179.24 178.31 3hig n THR 713 N -3.03 1.70 -4.92 0.35 -1.04 -1.26 -4.72 114.28 101.35 3hig n THR 713 Ca 0.02 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.05 61.33 3hig n THR 713 Cb 0.39 -1.29 -0.17 0.00 -1.82 0.00 0.00 70.33 67.44 3hig n THR 713 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hig s VAL 714 N -0.80 1.60 -0.09 12.58 1.01 -0.38 -4.33 120.40 129.99 3hig s VAL 714 Ca 0.61 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3hig s VAL 714 Cb -0.65 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3hig s VAL 714 CO 0.58 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 175.30 3hig s ILE 715 N 0.31 1.78 -0.23 2.22 1.01 -0.96 -1.30 121.20 124.03 3hig s ILE 715 Ca -0.12 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 3hig s ILE 715 Cb -0.15 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 3hig s ILE 715 CO 0.05 0.50 0.06 -0.69 0.00 0.00 0.00 174.94 174.86 3hig s VAL 716 N 0.47 4.37 -0.02 2.92 1.01 0.48 -0.16 120.40 129.46 3hig s VAL 716 Ca -0.17 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3hig s VAL 716 Cb -0.17 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3hig s VAL 716 CO 0.07 0.38 -0.18 0.26 0.00 0.00 0.00 175.10 175.63 3hig s TRP 717 N 1.25 2.58 0.58 5.22 0.52 -0.29 -1.68 118.94 127.12 3hig s TRP 717 Ca 0.05 -0.25 -0.16 0.00 0.02 0.00 0.00 56.10 55.76 3hig s TRP 717 Cb -0.15 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 3hig s TRP 717 CO 0.03 0.14 1.04 -1.25 0.02 0.00 0.00 176.95 176.94 3hig s PRO 718 N -0.84 3.44 -0.00 4.98 0.04 -1.26 -0.42 135.00 140.94 3hig s PRO 718 Ca 0.12 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.36 3hig s PRO 718 Cb -0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3hig s PRO 718 CO 0.01 -0.70 -0.12 1.03 0.04 0.00 0.00 177.00 177.25 3hig s ARG 719 N -4.05 0.96 -0.05 4.56 1.81 -1.26 -4.75 118.95 116.16 3hig s ARG 719 Ca 0.63 -0.49 -0.34 0.00 -1.72 0.00 0.00 55.73 53.81 3hig s ARG 719 Cb -0.15 -0.93 -0.12 0.00 -0.45 0.00 0.00 34.95 33.30 3hig s ARG 719 CO 0.35 0.25 1.84 -0.25 -0.68 0.00 0.00 175.30 176.81 3hig n ASP 720 N 2.62 3.39 -2.87 0.23 8.00 -1.26 -3.22 116.55 123.45 3hig n ASP 720 Ca -0.15 0.99 -0.15 0.00 0.71 0.00 0.00 54.79 56.20 3hig n ASP 720 Cb 0.56 -1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.27 3hig n ASP 720 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hig n ASN 721 N 6.15 -3.08 -2.62 -2.24 0.23 -1.26 -4.91 115.26 107.53 3hig n ASN 721 Ca 0.22 -0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.14 3hig n ASN 721 Cb 0.29 -2.63 -0.04 0.00 -2.08 0.00 0.00 39.78 35.33 3hig n ASN 721 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hig n GLY 722 N -0.87 2.64 3.78 4.83 0.00 -1.20 -5.16 105.19 109.20 3hig n GLY 722 Ca -0.06 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 3hig n GLY 722 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hig s PRO 723 N -2.78 2.54 0.70 1.61 0.05 -1.26 -4.57 135.00 131.29 3hig s PRO 723 Ca 0.26 1.19 -0.15 0.00 0.05 0.00 0.00 61.00 62.34 3hig s PRO 723 Cb 0.00 -1.93 0.02 0.00 0.05 0.00 0.00 34.50 32.64 3hig s PRO 723 CO 0.18 -1.43 1.19 -0.80 0.05 0.00 0.00 177.00 176.19 3hig s ASN 724 N -3.25 4.48 -0.31 6.66 0.01 -1.26 -4.38 114.94 116.90 3hig s ASN 724 Ca 0.62 2.29 -0.19 0.00 -0.71 0.00 0.00 52.86 54.87 3hig s ASN 724 Cb -0.17 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 3hig s ASN 724 CO 0.52 -2.06 0.58 -0.47 -1.51 0.00 0.00 177.10 174.15 3hig s TYR 725 N -2.01 3.21 -0.57 2.20 5.04 0.44 -4.94 117.35 120.72 3hig s TYR 725 Ca 0.73 0.50 -0.18 0.00 -2.44 0.00 0.00 57.07 55.68 3hig s TYR 725 Cb -0.27 -2.92 0.11 0.00 0.35 0.00 0.00 41.96 39.22 3hig s TYR 725 CO 0.43 -0.45 0.64 0.08 -1.34 0.00 0.00 175.55 174.91 3hig s VAL 726 N 2.50 4.93 -0.19 3.14 1.01 -1.26 -1.13 120.40 129.40 3hig s VAL 726 Ca 0.23 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 3hig s VAL 726 Cb -0.15 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 3hig s VAL 726 CO 0.12 -1.03 0.88 -1.58 0.00 0.00 0.00 175.10 173.49 3hig s GLN 727 N 2.37 4.28 0.20 2.72 0.74 0.78 -4.97 119.66 125.78 3hig s GLN 727 Ca 0.09 1.09 0.06 0.00 0.05 0.00 0.00 55.36 56.65 3hig s GLN 727 Cb -0.25 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.21 3hig s GLN 727 CO 0.06 -0.41 -0.11 1.03 -0.55 0.00 0.00 175.29 175.31 3hig s ARG 728 N 2.45 1.29 0.00 1.67 0.52 -1.26 -2.27 118.95 121.34 3hig s ARG 728 Ca 0.39 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 3hig s ARG 728 Cb -0.16 -0.93 0.00 0.00 0.52 0.00 0.00 34.95 34.37 3hig s ARG 728 CO 0.11 0.11 0.73 0.91 0.02 0.00 0.00 175.30 177.17 3hig n TRP 729 N -0.36 0.00 -3.79 -0.53 8.01 -1.25 -4.98 117.44 114.54 3hig n TRP 729 Ca -0.08 -0.25 -0.13 0.00 -1.31 0.00 0.00 57.50 55.73 3hig n TRP 729 Cb 0.61 -0.03 -0.11 0.00 -2.01 0.00 0.00 31.31 29.77 3hig n TRP 729 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.69 175.18 3hig s ILE 730 N -0.50 0.01 0.55 -0.99 2.07 -1.24 -4.92 121.20 116.16 3hig s ILE 730 Ca 0.00 -0.06 -0.20 0.00 -1.41 0.00 0.00 60.65 58.98 3hig s ILE 730 Cb 0.00 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 42.15 3hig s ILE 730 CO 0.00 -0.03 1.18 -2.84 -1.91 0.00 0.00 174.94 171.34 3hig s PRO 731 N -0.02 3.27 0.26 3.50 0.02 -1.26 -4.95 135.00 135.82 3hig s PRO 731 Ca -0.01 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 62.46 3hig s PRO 731 Cb -0.02 -2.07 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 3hig s PRO 731 CO 0.01 -0.95 1.51 -1.91 -0.33 0.00 0.00 177.00 175.33 3hig n GLU 732 N -1.24 2.36 -4.98 5.54 2.13 -1.26 -5.01 120.64 118.17 3hig n GLU 732 Ca 0.12 0.84 -0.29 0.00 0.66 0.00 0.00 57.16 58.49 3hig n GLU 732 Cb 0.50 -2.56 -0.17 0.00 0.27 0.00 0.00 31.44 29.48 3hig n GLU 732 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3hig s ASP 733 N 0.44 2.54 -0.05 4.31 2.15 -1.26 -5.00 116.67 119.80 3hig s ASP 733 Ca 0.67 -0.44 0.07 0.00 0.43 0.00 0.00 52.55 53.28 3hig s ASP 733 Cb -0.58 -0.98 0.11 0.00 -0.30 0.00 0.00 42.92 41.17 3hig s ASP 733 CO 0.48 0.14 0.99 0.54 -0.17 0.00 0.00 175.17 177.15 3hig n ARG 734 N 3.41 1.51 -1.89 4.34 1.74 -1.26 -5.09 116.66 119.42 3hig n ARG 734 Ca -0.19 -1.69 -0.37 0.00 -0.77 0.00 0.00 57.85 54.82 3hig n ARG 734 Cb 0.52 -1.05 0.04 0.00 -1.02 0.00 0.00 32.46 30.96 3hig n ARG 734 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hig s ASP 735 N -1.56 5.09 0.08 0.55 1.01 -1.26 -5.05 116.67 115.53 3hig s ASP 735 Ca 0.12 2.55 0.06 0.00 0.71 0.00 0.00 52.55 56.00 3hig s ASP 735 Cb 0.10 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 3hig s ASP 735 CO 0.01 -1.67 -0.17 0.00 0.21 0.00 0.00 175.17 173.55 3hig s SER 737 N -1.82 0.18 0.02 0.00 1.04 -1.26 -4.94 113.70 106.92 3hig s SER 737 Ca 0.02 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 3hig s SER 737 Cb -0.10 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 3hig s SER 737 CO 0.03 -0.81 0.36 -0.04 0.98 0.00 0.00 173.24 173.76 3hig s MET 738 N -4.00 3.76 0.80 4.02 -1.94 -1.26 -4.83 119.30 115.85 3hig s MET 738 Ca 0.20 0.20 -0.10 0.00 -1.71 0.00 0.00 55.69 54.28 3hig s MET 738 Cb 0.05 -3.11 0.10 0.00 2.01 0.00 0.00 34.83 33.88 3hig s MET 738 CO 0.01 0.64 1.14 -1.25 -0.01 0.00 0.00 175.02 175.55 3hig s PRO 739 N -1.49 1.78 0.40 2.03 0.04 -1.26 -5.03 135.00 131.47 3hig s PRO 739 Ca 0.27 -0.19 -0.25 0.00 0.04 0.00 0.00 61.00 60.87 3hig s PRO 739 Cb -0.15 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3hig s PRO 739 CO 0.15 -1.62 1.00 -2.30 0.04 0.00 0.00 177.00 174.27 3hig n PRO 740 N -3.24 1.35 -1.30 0.56 -0.02 -1.26 -4.97 135.00 126.13 3hig n PRO 740 Ca 0.10 0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 3hig n PRO 740 Cb 0.60 -2.01 0.10 0.00 -0.02 0.00 0.00 33.50 32.18 3hig n PRO 740 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hig s PRO 741 N -1.93 2.00 0.19 0.52 0.02 -1.26 -4.92 135.00 129.62 3hig s PRO 741 Ca 0.62 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3hig s PRO 741 Cb -0.58 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.02 3hig s PRO 741 CO 0.57 -1.91 1.34 0.12 -0.33 0.00 0.00 177.00 176.80 3hig s PHE 742 N -2.29 3.22 0.04 6.54 5.36 -1.26 -5.03 117.98 124.56 3hig s PHE 742 Ca 0.70 1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 57.80 3hig s PHE 742 Cb -0.25 -3.65 -0.03 0.00 -0.34 0.00 0.00 43.02 38.75 3hig s PHE 742 CO 0.49 -2.09 -0.01 -1.54 -1.46 0.00 0.00 175.22 170.61 3hig s SER 743 N 0.46 0.34 -0.18 6.13 1.04 -1.26 -5.15 113.70 115.07 3hig s SER 743 Ca 0.58 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 3hig s SER 743 Cb -0.37 0.17 0.06 0.00 0.10 0.00 0.00 66.02 65.97 3hig s SER 743 CO 0.38 -0.47 0.44 -0.47 0.98 0.00 0.00 173.24 174.10 3hig s TYR 744 N -2.78 -0.65 -0.18 5.02 5.04 -1.26 -4.65 117.35 117.89 3hig s TYR 744 Ca -0.04 1.38 -0.15 0.00 -2.44 0.00 0.00 57.07 55.82 3hig s TYR 744 Cb -0.00 0.30 -0.06 0.00 0.35 0.00 0.00 41.96 42.55 3hig s TYR 744 CO -0.06 -0.36 -0.27 -1.71 -1.34 0.00 0.00 175.55 171.81 3hig n ASN 745 N 4.22 1.90 0.00 4.32 2.85 -1.26 -5.01 115.26 122.27 3hig n ASN 745 Ca -0.23 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 3hig n ASN 745 Cb 0.56 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.78 3hig n ASN 745 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hig n GLY 746 N 1.49 1.29 3.80 8.20 0.00 -1.26 -5.04 105.19 113.67 3hig n GLY 746 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3hig n GLY 746 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hig s THR 747 N -2.79 4.46 -0.16 2.61 -4.23 -1.26 -5.03 115.64 109.24 3hig s THR 747 Ca 0.00 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 3hig s THR 747 Cb 0.00 -3.30 0.06 0.00 1.34 0.00 0.00 72.50 70.60 3hig s THR 747 CO 0.00 -0.15 0.10 -0.72 -0.54 0.00 0.00 174.62 173.31 3hig s TYR 748 N -1.82 0.13 0.07 3.99 -0.85 -1.26 -4.64 117.35 112.97 3hig s TYR 748 Ca 0.31 -0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.64 3hig s TYR 748 Cb -0.10 -0.64 -0.04 0.00 0.38 0.00 0.00 41.96 41.56 3hig s TYR 748 CO 0.24 -0.50 -0.02 1.03 -1.52 0.00 0.00 175.55 174.78 3hig s ARG 749 N 2.16 0.67 0.69 -3.49 1.81 -1.13 -4.81 118.95 114.85 3hig s ARG 749 Ca 0.03 -1.26 -0.17 0.00 -1.72 0.00 0.00 55.73 52.61 3hig s ARG 749 Cb -0.16 0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.53 3hig s ARG 749 CO -0.09 -0.12 1.27 -2.14 -0.68 0.00 0.00 175.30 173.54 3hig s PRO 750 N -3.93 2.32 0.00 3.54 0.02 -1.25 -0.63 135.00 135.07 3hig s PRO 750 Ca 0.10 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3hig s PRO 750 Cb 0.08 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.77 3hig s PRO 750 CO -0.08 -1.75 0.37 0.28 -0.33 0.00 0.00 177.00 175.49