#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hig h ARG 28 N 0.00 0.27 -0.11 -0.52 3.08 -2.03 -2.97 114.38 112.11 3hig h ARG 28 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3hig h ARG 28 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3hig h ARG 28 CO 0.00 0.18 -0.31 0.87 -1.07 0.00 0.00 179.97 179.64 3hig h LYS 29 N 0.28 0.20 0.00 0.04 1.57 -2.02 -1.94 116.57 114.71 3hig h LYS 29 Ca 0.27 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hig h LYS 29 Cb 0.70 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3hig h LYS 29 CO -0.06 0.50 -0.01 0.00 -0.57 0.00 0.00 179.45 179.31 3hig h ALA 30 N 1.50 1.13 -0.49 3.86 0.00 -1.92 -2.47 119.26 120.88 3hig h ALA 30 Ca 0.02 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3hig h ALA 30 Cb 0.65 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3hig h ALA 30 CO 0.05 0.01 0.47 0.78 0.00 0.00 0.00 179.25 180.56 3hig h GLY 31 N 0.16 0.00 2.00 0.00 0.00 -1.48 -0.57 103.07 103.18 3hig h GLY 31 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hig h GLY 31 CO 0.00 0.00 -0.09 -0.24 0.00 0.00 0.00 176.54 176.21 3hig h VAL 32 N 0.00 0.82 -0.01 4.60 3.04 -1.64 -2.24 116.25 120.82 3hig h VAL 32 Ca 0.23 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3hig h VAL 32 Cb 1.17 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 3hig h VAL 32 CO -0.00 0.08 -0.36 0.49 -1.01 0.00 0.00 177.57 176.77 3hig n PHE 33 N -4.09 0.00 -2.50 3.17 3.72 -0.23 -4.82 117.46 112.72 3hig n PHE 33 Ca -0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 3hig n PHE 33 Cb 0.17 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 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 -2.51 6.78 0.92 4.37 1.04 -0.84 -4.61 113.70 118.84 3hig s SER 34 Ca 0.22 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.65 3hig s SER 34 Cb 0.19 -2.59 0.13 0.00 0.10 0.00 0.00 66.02 63.84 3hig s SER 34 CO 0.55 -0.48 1.06 0.47 0.98 0.00 0.00 173.24 175.82 3hig n ASP 35 N 0.10 0.09 -4.75 7.02 8.00 -1.26 -4.91 116.55 120.85 3hig n ASP 35 Ca 0.04 0.42 -0.41 0.00 0.71 0.00 0.00 54.79 55.55 3hig n ASP 35 Cb 0.49 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.11 3hig n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hig s LEU 36 N -5.90 4.42 0.80 0.64 1.43 -1.26 -5.00 118.68 113.80 3hig s LEU 36 Ca 0.66 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 56.17 3hig s LEU 36 Cb -0.23 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.44 3hig s LEU 36 CO 0.59 -0.55 1.09 -0.94 0.23 0.00 0.00 176.35 176.76 3hig s SER 37 N 0.10 4.37 0.27 2.29 1.04 -1.26 -4.78 113.70 115.72 3hig s SER 37 Ca 0.55 1.62 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 3hig s SER 37 Cb -0.38 -2.35 0.58 0.00 0.10 0.00 0.00 66.02 63.96 3hig s SER 37 CO 0.43 -2.09 1.67 -1.13 0.98 0.00 0.00 173.24 173.10 3hig h ASN 38 N -1.17 0.01 -0.34 7.02 -1.24 -1.95 -0.54 115.58 117.36 3hig h ASN 38 Ca -0.46 0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.71 3hig h ASN 38 Cb 1.25 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.51 3hig h ASN 38 CO 0.54 -0.09 0.18 1.56 -1.29 0.00 0.00 177.43 178.33 3hig h GLN 39 N 0.25 0.49 -0.45 6.67 1.08 -1.98 -1.83 115.11 119.34 3hig h GLN 39 Ca 0.48 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.52 3hig h GLN 39 Cb 0.89 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 3hig h GLN 39 CO -0.58 0.43 -0.10 0.93 -0.95 0.00 0.00 178.83 178.56 3hig h GLU 40 N 0.42 0.81 -0.55 1.46 5.08 -1.73 -1.23 114.58 118.84 3hig h GLU 40 Ca 0.12 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3hig h GLU 40 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hig h GLU 40 CO -0.02 0.88 0.20 -0.07 -1.00 0.00 0.00 179.01 179.00 3hig h LEU 41 N 0.73 0.78 -0.83 1.33 3.38 -0.95 -1.47 115.31 118.27 3hig h LEU 41 Ca 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hig h LEU 41 Cb 0.59 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3hig h LEU 41 CO 0.04 0.76 0.39 0.11 0.09 0.00 0.00 178.44 179.82 3hig h LYS 42 N 0.76 1.21 -0.57 1.13 1.57 -1.03 -1.08 116.57 118.55 3hig h LYS 42 Ca 0.18 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3hig h LYS 42 Cb 0.24 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3hig h LYS 42 CO -0.01 0.94 -0.06 0.00 -0.57 0.00 0.00 179.45 179.75 3hig h ALA 43 N 1.21 0.80 -0.11 3.86 0.00 -0.94 0.11 119.26 124.18 3hig h ALA 43 Ca 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hig h ALA 43 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hig h ALA 43 CO -0.03 0.67 -0.02 0.28 0.00 0.00 0.00 179.25 180.15 3hig h VAL 44 N 0.95 1.28 -0.77 0.00 2.07 -1.08 -1.97 116.25 116.73 3hig h VAL 44 Ca 0.16 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3hig h VAL 44 Cb 0.63 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3hig h VAL 44 CO 0.04 0.26 0.47 -0.74 0.02 0.00 0.00 177.57 177.62 3hig h HIS 45 N -0.10 0.88 -0.36 1.57 6.17 -1.05 -1.68 115.15 120.57 3hig h HIS 45 Ca 0.03 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 3hig h HIS 45 Cb 0.41 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 3hig h HIS 45 CO 0.05 0.47 0.13 1.03 0.71 0.00 0.00 177.93 180.32 3hig h SER 46 N 0.89 0.51 -0.36 3.26 0.87 -0.76 -0.08 113.55 117.89 3hig h SER 46 Ca 0.32 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 3hig h SER 46 Cb 0.09 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 3hig h SER 46 CO -0.14 0.56 0.04 0.15 -0.53 0.00 0.00 176.83 176.90 3hig h PHE 47 N 0.44 0.05 -0.38 2.24 3.57 -0.98 0.67 116.94 122.54 3hig h PHE 47 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3hig h PHE 47 Cb 0.22 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3hig h PHE 47 CO 0.00 -0.03 0.24 -0.07 -2.23 0.00 0.00 178.31 176.23 3hig h LEU 48 N 0.14 0.45 -2.16 0.59 3.38 -1.12 -2.55 115.31 114.05 3hig h LEU 48 Ca 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hig h LEU 48 Cb 0.22 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hig h LEU 48 CO -0.26 0.36 -0.07 -0.50 0.09 0.00 0.00 178.44 178.06 3hig h TRP 49 N 0.51 0.00 0.00 1.13 4.06 -0.32 -2.43 115.95 118.89 3hig h TRP 49 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 3hig h TRP 49 Cb -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3hig h TRP 49 CO -0.04 0.07 0.00 0.66 -3.56 0.00 0.00 178.44 175.56 3hig h SER 50 N 0.00 0.00 -1.55 -3.49 4.64 -0.45 -3.39 113.55 109.31 3hig h SER 50 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3hig h SER 50 Cb 0.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.13 3hig h SER 50 CO 0.01 0.00 1.28 -0.54 -0.87 0.00 0.00 176.83 176.71 3hig s LYS 51 N -3.38 3.60 0.57 4.77 -0.14 -0.92 -4.86 119.74 119.38 3hig s LYS 51 Ca 0.05 -1.36 0.27 0.00 -1.36 0.00 0.00 55.97 53.57 3hig s LYS 51 Cb 0.08 -5.21 1.71 0.00 -1.68 0.00 0.00 37.83 32.73 3hig s LYS 51 CO 0.57 -2.06 2.23 0.87 -0.76 0.00 0.00 175.35 176.20 3hig h LYS 52 N 9.42 0.00 0.00 1.68 6.56 -1.85 -1.82 116.57 130.57 3hig h LYS 52 Ca 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 3hig h LYS 52 Cb 1.01 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.67 3hig h LYS 52 CO 1.32 0.01 -0.03 1.05 -2.06 0.00 0.00 179.45 179.74 3hig h GLU 53 N 0.00 0.00 0.00 3.15 9.09 -1.95 -2.29 114.58 122.58 3hig h GLU 53 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hig h GLU 53 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3hig h GLU 53 CO 0.00 0.03 0.00 -0.07 0.05 0.00 0.00 179.01 179.02 3hig h LEU 54 N 0.00 0.00 -1.53 3.06 3.38 -1.68 -3.47 115.31 115.08 3hig h LEU 54 Ca -0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 3hig h LEU 54 Cb 0.09 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.93 3hig h LEU 54 CO 0.00 0.00 -0.78 0.54 0.09 0.00 0.00 178.44 178.29 3hig n ARG 55 N -2.67 -5.90 -2.75 1.13 1.74 -0.86 -4.78 116.66 102.56 3hig n ARG 55 Ca 0.04 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 3hig n ARG 55 Cb 0.40 -5.52 -0.05 0.00 -1.02 0.00 0.00 32.46 26.27 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 -6.73 4.57 0.32 0.55 1.43 -1.26 -4.22 118.68 113.33 3hig s LEU 56 Ca 0.16 1.86 0.09 0.00 -1.03 0.00 0.00 54.13 55.20 3hig s LEU 56 Cb -0.07 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3hig s LEU 56 CO 0.78 0.05 -0.09 -1.10 0.23 0.00 0.00 176.35 176.21 3hig s GLN 57 N -0.58 1.71 0.51 1.70 -0.21 0.10 -5.00 119.66 117.90 3hig s GLN 57 Ca 0.44 -1.87 -0.21 0.00 0.02 0.00 0.00 55.36 53.74 3hig s GLN 57 Cb -0.25 -1.52 -0.06 0.00 1.00 0.00 0.00 33.01 32.18 3hig s GLN 57 CO 0.31 0.12 1.18 -2.14 -2.12 0.00 0.00 175.29 172.64 3hig s PRO 58 N -3.64 3.46 0.51 2.91 0.02 -1.26 -4.45 135.00 132.55 3hig s PRO 58 Ca 0.31 1.79 0.17 0.00 0.02 0.00 0.00 61.00 63.29 3hig s PRO 58 Cb 0.02 -2.21 1.26 0.00 0.02 0.00 0.00 34.50 33.59 3hig s PRO 58 CO 0.15 -0.80 2.11 0.77 -0.33 0.00 0.00 177.00 178.89 3hig h SER 59 N 1.58 0.05 0.52 2.53 0.02 -1.89 -1.11 113.55 115.25 3hig h SER 59 Ca -0.50 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3hig h SER 59 Cb 1.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3hig h SER 59 CO 0.58 0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.76 3hig n SER 60 N -4.50 0.00 -4.70 3.07 3.41 -1.26 -4.43 113.62 105.20 3hig n SER 60 Ca 0.01 0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 58.47 3hig n SER 60 Cb 0.21 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.80 3.03 -1.35 6.66 2.01 -0.42 -4.86 115.64 117.90 3hig s THR 61 Ca 0.13 0.63 -0.07 0.00 0.31 0.00 0.00 61.69 62.70 3hig s THR 61 Cb 0.13 -3.41 0.11 0.00 0.01 0.00 0.00 72.50 69.34 3hig s THR 61 CO 0.32 0.03 2.34 0.35 -0.69 0.00 0.00 174.62 176.96 3hig n THR 62 N 4.30 4.93 -3.85 -0.82 -2.24 -1.26 -4.76 114.28 110.57 3hig n THR 62 Ca 0.14 -4.13 -0.11 0.00 -2.27 0.00 0.00 64.05 57.67 3hig n THR 62 Cb 0.41 -2.20 -0.10 0.00 -2.10 0.00 0.00 70.33 66.33 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 -0.40 0.07 -0.16 4.28 -1.32 -1.26 -5.01 115.64 111.84 3hig s THR 63 Ca 0.53 -0.59 0.16 0.00 -1.21 0.00 0.00 61.69 60.57 3hig s THR 63 Cb 0.16 -0.43 0.04 0.00 -1.51 0.00 0.00 72.50 70.77 3hig s THR 63 CO -0.07 -0.33 1.36 0.24 -2.21 0.00 0.00 174.62 173.61 3hig h MET 64 N 4.41 0.00 -3.05 7.08 0.00 -1.86 -3.39 114.93 118.12 3hig h MET 64 Ca -0.30 0.00 -0.69 0.00 0.00 0.00 0.00 59.70 58.71 3hig h MET 64 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.78 3hig h MET 64 CO 0.40 0.45 3.42 0.00 0.00 0.00 0.00 176.91 181.18 3hig n ALA 65 N -2.24 7.12 -2.18 6.32 0.00 -1.22 -4.53 120.51 123.77 3hig n ALA 65 Ca 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 53.44 49.66 3hig n ALA 65 Cb 0.74 -3.26 -0.10 0.00 0.00 0.00 0.00 19.45 16.83 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 1.53 0.60 -0.17 0.00 -2.85 -1.25 -4.32 119.74 113.28 3hig s LYS 66 Ca 0.63 -1.16 -0.14 0.00 -1.00 0.00 0.00 55.97 54.31 3hig s LYS 66 Cb 0.17 0.21 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 3hig s LYS 66 CO -0.07 -0.11 0.28 -0.80 0.10 0.00 0.00 175.35 174.75 3hig s ASN 67 N -2.80 6.40 -0.05 0.03 0.01 -1.26 -0.84 114.94 116.44 3hig s ASN 67 Ca 0.05 0.47 -0.16 0.00 -0.71 0.00 0.00 52.86 52.50 3hig s ASN 67 Cb 0.06 -2.18 0.03 0.00 0.41 0.00 0.00 41.25 39.58 3hig s ASN 67 CO -0.09 0.08 0.36 0.42 -1.51 0.00 0.00 177.10 176.36 3hig s THR 68 N 0.58 0.04 -0.35 1.60 -4.23 -0.75 0.03 115.64 112.57 3hig s THR 68 Ca 0.16 -0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 60.11 3hig s THR 68 Cb -0.13 -0.64 0.01 0.00 1.34 0.00 0.00 72.50 73.08 3hig s THR 68 CO 0.04 -0.18 0.78 -0.69 -0.54 0.00 0.00 174.62 174.03 3hig s VAL 69 N -0.98 4.75 -0.07 2.29 1.01 -1.26 -0.42 120.40 125.71 3hig s VAL 69 Ca -0.10 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 3hig s VAL 69 Cb -0.04 -4.19 -0.26 0.00 0.00 0.00 0.00 36.38 31.89 3hig s VAL 69 CO 0.04 -0.39 0.55 0.15 0.00 0.00 0.00 175.10 175.45 3hig h PHE 70 N 8.41 0.35 -3.06 5.22 3.57 -1.03 -3.44 116.94 126.95 3hig h PHE 70 Ca -0.25 -0.25 -0.15 0.00 3.53 0.00 0.00 57.97 60.84 3hig h PHE 70 Cb 1.09 -0.01 -0.25 0.00 2.79 0.00 0.00 35.95 39.57 3hig h PHE 70 CO 0.79 1.49 -0.39 -1.17 -2.23 0.00 0.00 178.31 176.80 3hig s LEU 71 N -6.77 0.93 -0.04 0.59 2.96 -1.18 -0.52 118.68 114.65 3hig s LEU 71 Ca -0.15 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3hig s LEU 71 Cb 0.07 0.97 0.02 0.00 0.50 0.00 0.00 46.19 47.76 3hig s LEU 71 CO 0.80 -0.12 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.06 3hig s ILE 72 N 0.07 0.44 0.15 6.68 1.01 -1.01 -0.66 121.20 127.88 3hig s ILE 72 Ca -0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 3hig s ILE 72 Cb -0.02 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.98 3hig s ILE 72 CO 0.01 0.21 0.43 -1.83 0.00 0.00 0.00 174.94 173.75 3hig s GLU 73 N 1.02 1.18 0.38 2.79 -1.05 -0.70 -4.25 118.70 118.07 3hig s GLU 73 Ca -0.10 -0.82 -0.27 0.00 -0.15 0.00 0.00 54.97 53.63 3hig s GLU 73 Cb -0.14 0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 3hig s GLU 73 CO -0.01 -0.47 1.38 1.41 0.95 0.00 0.00 175.26 178.52 3hig s MET 74 N -3.85 4.09 -0.30 -4.83 -2.45 -1.26 0.66 119.30 111.36 3hig s MET 74 Ca 0.07 2.34 -0.05 0.00 -1.25 0.00 0.00 55.69 56.79 3hig s MET 74 Cb 0.01 -2.90 0.03 0.00 1.25 0.00 0.00 34.83 33.22 3hig s MET 74 CO -0.08 -0.46 0.06 -1.17 1.05 0.00 0.00 175.02 174.42 3hig s LEU 75 N -2.18 3.92 0.27 4.11 2.96 -0.52 -4.59 118.68 122.66 3hig s LEU 75 Ca 0.54 -0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 3hig s LEU 75 Cb -0.42 -1.83 -0.10 0.00 0.50 0.00 0.00 46.19 44.34 3hig s LEU 75 CO 0.56 -0.24 1.38 -0.22 -1.32 0.00 0.00 176.35 176.51 3hig s LEU 76 N 1.42 4.40 0.93 -0.68 2.96 -1.26 -4.28 118.68 122.17 3hig s LEU 76 Ca -0.00 2.65 -0.12 0.00 -0.22 0.00 0.00 54.13 56.44 3hig s LEU 76 Cb -0.18 -3.63 0.15 0.00 0.50 0.00 0.00 46.19 43.02 3hig s LEU 76 CO 0.01 -0.63 1.11 -2.84 -1.32 0.00 0.00 176.35 172.68 3hig s PRO 77 N -0.86 1.00 0.43 0.98 0.02 -1.26 -4.98 135.00 130.33 3hig s PRO 77 Ca 0.55 0.50 -0.26 0.00 0.02 0.00 0.00 61.00 61.81 3hig s PRO 77 Cb -0.41 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 3hig s PRO 77 CO 0.46 -2.34 1.42 0.15 -0.33 0.00 0.00 177.00 176.37 3hig s LYS 78 N -5.09 3.81 0.26 5.54 1.02 -1.26 -4.84 119.74 119.17 3hig s LYS 78 Ca 0.64 2.42 -0.03 0.00 0.02 0.00 0.00 55.97 59.02 3hig s LYS 78 Cb -0.17 -2.73 0.39 0.00 -0.52 0.00 0.00 37.83 34.80 3hig s LYS 78 CO 0.56 -0.72 1.88 -0.22 -0.92 0.00 0.00 175.35 175.92 3hig h LYS 79 N 2.51 1.12 -0.54 1.68 3.64 -1.99 -1.66 116.57 121.33 3hig h LYS 79 Ca -0.51 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 58.90 3hig h LYS 79 Cb 1.26 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.75 3hig h LYS 79 CO 0.62 0.74 0.12 -0.92 -2.27 0.00 0.00 179.45 177.74 3hig h TYR 80 N 1.16 0.19 -0.08 1.91 3.20 -2.00 0.12 116.97 121.47 3hig h TYR 80 Ca 0.42 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 62.10 3hig h TYR 80 Cb 0.16 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.43 3hig h TYR 80 CO -0.01 -0.01 -0.85 0.45 -1.64 0.00 0.00 178.16 176.11 3hig h HIS 81 N 0.26 0.84 -0.33 -3.82 3.86 -1.75 -2.54 115.15 111.67 3hig h HIS 81 Ca 0.28 -0.40 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 3hig h HIS 81 Cb 0.38 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3hig h HIS 81 CO -0.23 1.21 0.12 0.28 0.86 0.00 0.00 177.93 180.17 3hig h VAL 82 N 0.38 1.19 -0.63 2.45 2.07 -0.92 -1.36 116.25 119.44 3hig h VAL 82 Ca -0.07 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3hig h VAL 82 Cb 1.47 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3hig h VAL 82 CO 0.16 0.21 0.14 -0.07 0.02 0.00 0.00 177.57 178.02 3hig h LEU 83 N 0.38 0.94 -1.12 2.57 3.38 -0.77 0.27 115.31 120.96 3hig h LEU 83 Ca 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hig h LEU 83 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hig h LEU 83 CO -0.01 0.92 0.25 0.03 0.09 0.00 0.00 178.44 179.72 3hig h ARG 84 N 0.95 0.87 -0.06 1.13 3.08 -1.32 0.47 114.38 119.49 3hig h ARG 84 Ca 0.20 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3hig h ARG 84 Cb 0.36 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3hig h ARG 84 CO 0.00 0.70 0.01 0.35 -1.07 0.00 0.00 179.97 179.96 3hig h PHE 85 N 0.86 0.12 -0.16 3.04 3.57 -0.56 -1.30 116.94 122.50 3hig h PHE 85 Ca 0.21 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 3hig h PHE 85 Cb 0.15 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3hig h PHE 85 CO 0.01 0.36 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.10 3hig h LEU 86 N -0.15 0.52 0.00 0.59 3.38 -0.20 -3.33 115.31 116.12 3hig h LEU 86 Ca 0.02 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 3hig h LEU 86 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hig h LEU 86 CO 0.00 0.96 -1.61 0.47 0.09 0.00 0.00 178.44 178.35 3hig n ASP 87 N -4.40 2.08 -0.01 -0.43 8.00 0.16 -4.62 116.55 117.33 3hig n ASP 87 Ca -0.06 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.45 3hig n ASP 87 Cb 0.46 1.48 0.01 0.00 -0.02 0.00 0.00 41.12 43.05 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 -2.01 2.75 -0.97 -1.24 4.76 -0.59 -5.00 118.16 115.86 3hig n LYS 88 Ca -0.04 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.83 3hig n LYS 88 Cb 0.40 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 3hig n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hig n GLY 89 N -0.57 0.72 3.69 0.72 0.00 -0.97 -4.95 105.19 103.84 3hig n GLY 89 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3hig n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hig s GLU 90 N -0.14 -0.70 0.62 1.61 0.41 -0.63 -4.95 118.70 114.91 3hig s GLU 90 Ca 0.00 -0.17 -0.17 0.00 -0.41 0.00 0.00 54.97 54.22 3hig s GLU 90 Cb 0.00 -1.67 -0.02 0.00 -1.78 0.00 0.00 34.13 30.66 3hig s GLU 90 CO 0.00 -3.35 1.13 -0.98 -0.49 0.00 0.00 175.26 171.57 3hig s ARG 91 N -5.55 2.98 0.20 1.61 1.70 -1.26 -4.39 118.95 114.24 3hig s ARG 91 Ca 0.72 1.51 -0.32 0.00 -0.47 0.00 0.00 55.73 57.17 3hig s ARG 91 Cb -0.08 -1.96 -0.12 0.00 -0.57 0.00 0.00 34.95 32.22 3hig s ARG 91 CO 0.55 -1.13 1.74 1.58 -1.08 0.00 0.00 175.30 176.97 3hig n HIS 92 N -1.97 2.74 -1.11 5.89 -0.00 -1.26 -4.49 115.22 115.02 3hig n HIS 92 Ca 0.11 0.01 -0.31 0.00 0.46 0.00 0.00 57.72 58.00 3hig n HIS 92 Cb 0.51 -2.68 0.12 0.00 -0.12 0.00 0.00 29.99 27.82 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 1.38 1.70 0.31 1.57 0.02 -1.26 -4.95 135.00 133.77 3hig s PRO 93 Ca 0.76 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 3hig s PRO 93 Cb -0.50 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.08 3hig s PRO 93 CO 0.33 -2.03 1.41 0.08 -0.33 0.00 0.00 177.00 176.45 3hig s VAL 94 N -2.84 2.52 -0.14 3.83 1.01 -1.26 -4.98 120.40 118.54 3hig s VAL 94 Ca 0.63 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 3hig s VAL 94 Cb -0.19 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3hig s VAL 94 CO 0.57 0.10 0.39 -0.60 0.00 0.00 0.00 175.10 175.56 3hig s ARG 95 N -1.29 4.30 0.17 2.72 3.52 -1.26 -4.79 118.95 122.33 3hig s ARG 95 Ca 0.54 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 3hig s ARG 95 Cb -0.42 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 3hig s ARG 95 CO 0.51 0.19 0.02 -1.21 -0.81 0.00 0.00 175.30 174.00 3hig s GLU 96 N 0.56 1.11 0.05 5.12 2.02 -1.26 -0.91 118.70 125.39 3hig s GLU 96 Ca 0.22 -1.54 0.08 0.00 0.02 0.00 0.00 54.97 53.75 3hig s GLU 96 Cb -0.14 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 33.86 3hig s GLU 96 CO 0.07 -0.16 -0.21 0.00 0.02 0.00 0.00 175.26 174.98 3hig s ALA 97 N -3.72 2.47 -0.04 5.21 0.00 0.28 -1.44 121.76 124.52 3hig s ALA 97 Ca 0.25 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 3hig s ALA 97 Cb 0.06 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3hig s ALA 97 CO 0.04 0.56 0.62 0.50 0.00 0.00 0.00 175.76 177.49 3hig s ARG 98 N -1.46 4.37 -0.12 0.00 3.52 0.21 -0.72 118.95 124.75 3hig s ARG 98 Ca 0.14 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 3hig s ARG 98 Cb -0.10 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3hig s ARG 98 CO 0.05 0.23 -0.10 0.00 -0.81 0.00 0.00 175.30 174.66 3hig s ALA 99 N 0.28 1.45 -0.26 6.12 0.00 0.03 -1.72 121.76 127.65 3hig s ALA 99 Ca 0.33 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 3hig s ALA 99 Cb -0.18 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3hig s ALA 99 CO 0.17 -0.35 0.15 0.08 0.00 0.00 0.00 175.76 175.81 3hig s VAL 100 N 1.54 5.04 -0.16 0.00 1.01 0.17 -0.95 120.40 127.05 3hig s VAL 100 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3hig s VAL 100 Cb -0.13 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3hig s VAL 100 CO -0.07 0.29 -0.09 -0.63 0.00 0.00 0.00 175.10 174.59 3hig s ILE 101 N 1.60 3.25 -0.55 2.22 1.01 0.02 -0.30 121.20 128.45 3hig s ILE 101 Ca 0.07 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 3hig s ILE 101 Cb -0.15 -2.41 0.04 0.00 0.01 0.00 0.00 42.46 39.95 3hig s ILE 101 CO 0.08 0.49 0.93 -0.36 0.00 0.00 0.00 174.94 176.08 3hig s PHE 102 N 0.73 2.81 -1.17 3.97 0.40 0.44 -1.54 117.98 123.61 3hig s PHE 102 Ca -0.04 -0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.14 3hig s PHE 102 Cb -0.15 -4.05 0.19 0.00 0.51 0.00 0.00 43.02 39.52 3hig s PHE 102 CO 0.02 -1.33 1.36 -0.06 0.70 0.00 0.00 175.22 175.90 3hig s PHE 103 N 3.89 3.62 -1.27 0.36 0.08 0.82 -1.80 117.98 123.69 3hig s PHE 103 Ca 0.30 -2.20 0.25 0.00 0.12 0.00 0.00 56.93 55.41 3hig s PHE 103 Cb -0.13 -4.23 0.57 0.00 -0.57 0.00 0.00 43.02 38.67 3hig s PHE 103 CO 0.19 -1.32 1.45 0.41 -0.10 0.00 0.00 175.22 175.85 3hig n GLY 104 N 3.93 -1.02 2.72 4.36 0.00 -0.02 -1.71 105.19 113.45 3hig n GLY 104 Ca 0.34 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.20 6.96 -3.57 1.61 2.03 -1.22 -3.78 116.55 117.38 3hig n ASP 105 Ca 0.08 -3.71 -0.07 0.00 0.52 0.00 0.00 54.79 51.60 3hig n ASP 105 Cb 0.34 -1.06 -0.02 0.00 -0.72 0.00 0.00 41.12 39.66 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 -4.17 0.96 0.19 -0.67 -2.07 -1.26 -4.92 119.66 107.72 3hig s GLN 106 Ca 0.42 -0.42 -0.12 0.00 -1.82 0.00 0.00 55.36 53.43 3hig s GLN 106 Cb 0.24 0.40 0.21 0.00 -1.09 0.00 0.00 33.01 32.78 3hig s GLN 106 CO -0.18 -0.43 1.73 1.49 -1.32 0.00 0.00 175.29 176.59 3hig h GLU 107 N 2.00 0.31 -3.49 9.60 4.81 -1.96 -3.30 114.58 122.55 3hig h GLU 107 Ca -0.23 -0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.30 3hig h GLU 107 Cb 1.24 -0.07 -0.37 0.00 0.63 0.00 0.00 28.75 30.18 3hig h GLU 107 CO 0.30 0.21 -0.44 -1.01 -0.73 0.00 0.00 179.01 177.34 3hig s HIS 108 N -6.12 3.34 0.44 0.92 3.76 -1.26 -5.09 115.29 111.29 3hig s HIS 108 Ca -0.13 -2.88 -0.25 0.00 -0.15 0.00 0.00 55.06 51.65 3hig s HIS 108 Cb 0.16 -3.08 -0.09 0.00 1.11 0.00 0.00 32.58 30.68 3hig s HIS 108 CO 0.73 -0.80 1.28 -2.30 -0.85 0.00 0.00 174.74 172.80 3hig n PRO 109 N 3.30 1.89 -4.08 8.40 -0.02 -1.25 -5.03 135.00 138.22 3hig n PRO 109 Ca 0.08 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3hig n PRO 109 Cb 0.36 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 3hig n PRO 109 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hig s ASN 110 N -0.59 0.44 -0.16 2.55 2.20 -0.70 -4.43 114.94 114.25 3hig s ASN 110 Ca 0.63 -1.28 -0.04 0.00 -0.94 0.00 0.00 52.86 51.22 3hig s ASN 110 Cb -0.49 0.58 -0.03 0.00 -2.00 0.00 0.00 41.25 39.31 3hig s ASN 110 CO 0.57 -1.15 -0.02 -0.69 -2.94 0.00 0.00 177.10 172.86 3hig s VAL 111 N -3.61 4.01 0.03 3.54 1.01 -1.26 -0.13 120.40 123.99 3hig s VAL 111 Ca 0.30 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.02 3hig s VAL 111 Cb 0.01 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3hig s VAL 111 CO 0.15 0.49 -0.16 -0.89 0.00 0.00 0.00 175.10 174.68 3hig s THR 112 N 0.40 1.31 0.06 3.92 2.01 -0.59 -4.96 115.64 117.79 3hig s THR 112 Ca -0.03 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.04 3hig s THR 112 Cb -0.14 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 3hig s THR 112 CO 0.03 0.15 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.48 3hig s GLU 113 N -0.95 2.55 0.06 4.92 2.02 -1.26 -0.80 118.70 125.24 3hig s GLU 113 Ca 0.05 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.28 3hig s GLU 113 Cb -0.08 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 3hig s GLU 113 CO 0.01 0.57 -0.11 -0.06 0.02 0.00 0.00 175.26 175.69 3hig s PHE 114 N -1.20 0.96 -0.26 1.61 0.40 -0.12 -1.84 117.98 117.52 3hig s PHE 114 Ca 0.22 -0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 3hig s PHE 114 Cb -0.11 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 3hig s PHE 114 CO 0.14 -0.01 0.31 0.00 0.70 0.00 0.00 175.22 176.35 3hig s ALA 115 N -1.51 3.56 -0.17 5.36 0.00 0.13 -0.79 121.76 128.34 3hig s ALA 115 Ca -0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 3hig s ALA 115 Cb -0.09 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3hig s ALA 115 CO 0.01 -0.51 0.02 0.08 0.00 0.00 0.00 175.76 175.36 3hig s VAL 116 N 1.74 4.44 0.12 0.00 1.01 0.10 -0.89 120.40 126.92 3hig s VAL 116 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 3hig s VAL 116 Cb -0.15 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3hig s VAL 116 CO 0.09 0.48 0.45 0.61 0.00 0.00 0.00 175.10 176.73 3hig n GLY 117 N 3.51 1.13 3.83 4.51 0.00 -1.08 -0.56 105.19 116.54 3hig n GLY 117 Ca -0.17 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.03 1.98 -0.17 1.61 0.04 -1.26 -0.33 135.00 134.85 3hig s PRO 118 Ca 0.10 0.41 0.01 0.00 0.04 0.00 0.00 61.00 61.56 3hig s PRO 118 Cb -0.02 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3hig s PRO 118 CO 0.03 -1.64 -0.20 -0.51 0.04 0.00 0.00 177.00 174.73 3hig s LEU 119 N -5.72 2.18 0.80 -3.56 1.43 -0.09 -1.84 118.68 111.88 3hig s LEU 119 Ca 0.61 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3hig s LEU 119 Cb -0.13 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.67 3hig s LEU 119 CO 0.52 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 176.08 3hig s PRO 120 N 1.13 2.06 0.00 1.29 0.04 -1.26 -4.32 135.00 133.93 3hig s PRO 120 Ca 0.01 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3hig s PRO 120 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3hig s PRO 120 CO -0.08 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.75 3hig n GLY 121 N -2.35 0.78 3.75 0.56 0.00 -1.21 -4.98 105.19 101.75 3hig n GLY 121 Ca 0.07 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.97 4.13 0.00 1.61 0.04 -0.77 -4.04 135.00 133.00 3hig s PRO 122 Ca 0.00 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3hig s PRO 122 Cb 0.00 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3hig s PRO 122 CO 0.00 -0.61 0.20 0.00 0.04 0.00 0.00 177.00 176.63 3hig s TYR 124 N -0.03 0.36 -0.18 0.00 -0.85 -0.48 -5.00 117.35 111.18 3hig s TYR 124 Ca 0.00 -0.78 -0.01 0.00 -0.52 0.00 0.00 57.07 55.76 3hig s TYR 124 Cb 0.00 -0.27 0.05 0.00 0.38 0.00 0.00 41.96 42.12 3hig s TYR 124 CO 0.00 -0.33 -0.02 0.00 -1.52 0.00 0.00 175.55 173.68 3hig s MET 125 N -2.94 1.16 0.11 -3.49 0.23 -1.26 -2.63 119.30 110.49 3hig s MET 125 Ca -0.02 -0.54 0.04 0.00 -1.03 0.00 0.00 55.69 54.14 3hig s MET 125 Cb 0.01 -2.09 -0.04 0.00 -1.53 0.00 0.00 34.83 31.18 3hig s MET 125 CO -0.06 -0.52 0.10 -0.98 -2.03 0.00 0.00 175.02 171.52 3hig s ARG 126 N 1.68 2.88 0.44 3.16 1.70 -0.07 -4.89 118.95 123.86 3hig s ARG 126 Ca -0.01 -0.76 -0.25 0.00 -0.47 0.00 0.00 55.73 54.23 3hig s ARG 126 Cb -0.16 -2.69 -0.08 0.00 -0.57 0.00 0.00 34.95 31.44 3hig s ARG 126 CO -0.07 0.53 1.39 0.00 -1.08 0.00 0.00 175.30 176.07 3hig s ALA 127 N -1.53 3.24 -0.04 7.88 0.00 -1.26 0.20 121.76 130.26 3hig s ALA 127 Ca 0.30 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.67 3hig s ALA 127 Cb -0.11 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.46 3hig s ALA 127 CO 0.22 -1.08 -0.08 -1.17 0.00 0.00 0.00 175.76 173.66 3hig s LEU 128 N -2.64 1.63 -1.46 0.00 2.96 -0.77 -4.58 118.68 113.81 3hig s LEU 128 Ca 0.60 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.28 3hig s LEU 128 Cb -0.42 -0.55 0.03 0.00 0.50 0.00 0.00 46.19 45.75 3hig s LEU 128 CO 0.54 0.02 0.52 -1.20 -1.32 0.00 0.00 176.35 174.91 3hig n SER 129 N 3.59 -1.09 -4.75 3.68 7.64 -1.26 -4.28 113.62 117.15 3hig n SER 129 Ca -0.21 -0.99 -0.37 0.00 1.01 0.00 0.00 58.87 58.31 3hig n SER 129 Cb 0.53 -3.08 0.03 0.00 -1.01 0.00 0.00 64.21 60.68 3hig n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hig s PRO 130 N -6.60 3.13 -0.48 1.43 0.04 -1.26 -4.93 135.00 126.33 3hig s PRO 130 Ca 0.17 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.29 3hig s PRO 130 Cb -0.09 -2.14 0.27 0.00 0.04 0.00 0.00 34.50 32.58 3hig s PRO 130 CO 0.89 -1.13 0.65 -2.13 0.04 0.00 0.00 177.00 175.32 3hig n ARG 131 N -1.20 1.47 -1.94 4.56 0.63 -1.26 -5.11 116.66 113.82 3hig n ARG 131 Ca 0.11 -3.80 -0.40 0.00 -0.92 0.00 0.00 57.85 52.85 3hig n ARG 131 Cb 0.47 -1.66 -0.00 0.00 0.45 0.00 0.00 32.46 31.72 3hig n ARG 131 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hig s PRO 132 N -1.89 4.00 0.00 -0.14 0.04 -1.26 -2.55 135.00 133.21 3hig s PRO 132 Ca 0.38 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3hig s PRO 132 Cb 0.19 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3hig s PRO 132 CO -0.08 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3hig n GLY 133 N 0.61 2.26 3.74 0.56 0.00 -1.26 -5.03 105.19 106.07 3hig n GLY 133 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.28 3.70 -0.83 1.61 6.14 -1.06 -4.98 117.35 119.65 3hig s TYR 134 Ca 0.00 1.40 0.07 0.00 0.64 0.00 0.00 57.07 59.18 3hig s TYR 134 Cb 0.00 -2.79 0.08 0.00 0.42 0.00 0.00 41.96 39.67 3hig s TYR 134 CO 0.00 0.24 0.81 1.04 0.64 0.00 0.00 175.55 178.28 3hig n GLN 135 N 3.00 0.56 -0.76 4.97 6.02 -1.26 -4.62 117.38 125.29 3hig n GLN 135 Ca -0.03 -1.10 0.01 0.00 -0.01 0.00 0.00 57.00 55.87 3hig n GLN 135 Cb 0.51 -1.14 0.28 0.00 1.02 0.00 0.00 30.24 30.90 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 0.35 4.12 0.06 1.08 7.64 -1.26 -4.71 113.62 120.90 3hig n SER 136 Ca 0.05 -3.23 0.01 0.00 1.01 0.00 0.00 58.87 56.71 3hig n SER 136 Cb 0.21 -0.65 0.35 0.00 -1.01 0.00 0.00 64.21 63.12 3hig n SER 136 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hig h SER 137 N 2.13 0.36 -0.17 6.43 4.64 -1.90 -1.08 113.55 123.96 3hig h SER 137 Ca 0.14 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3hig h SER 137 Cb 1.86 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 3hig h SER 137 CO 0.47 0.46 -0.02 -0.25 -0.87 0.00 0.00 176.83 176.61 3hig h TRP 138 N 0.37 0.35 0.00 4.77 2.91 -1.84 -2.34 115.95 120.16 3hig h TRP 138 Ca 0.08 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 3hig h TRP 138 Cb 0.32 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.88 3hig h TRP 138 CO 0.01 0.56 -0.13 0.00 -1.03 0.00 0.00 178.44 177.85 3hig h ALA 139 N 0.74 1.72 0.00 2.65 0.00 -1.76 -2.63 119.26 119.98 3hig h ALA 139 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hig h ALA 139 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hig h ALA 139 CO 0.01 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 3hig n SER 140 N -4.29 0.00 -4.79 0.00 3.41 -0.45 -4.74 113.62 102.76 3hig n SER 140 Ca -0.03 0.48 -0.34 0.00 -0.26 0.00 0.00 58.87 58.73 3hig n SER 140 Cb 0.20 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.98 3.61 0.74 4.33 1.70 -0.99 -4.30 118.95 121.05 3hig s ARG 141 Ca 0.11 1.37 -0.15 0.00 -0.47 0.00 0.00 55.73 56.59 3hig s ARG 141 Cb 0.14 -2.06 0.05 0.00 -0.57 0.00 0.00 34.95 32.50 3hig s ARG 141 CO 0.40 -0.59 1.22 -2.14 -1.08 0.00 0.00 175.30 173.11 3hig s PRO 142 N -3.43 2.05 0.62 3.89 0.02 -1.26 -4.88 135.00 131.99 3hig s PRO 142 Ca 0.67 1.80 -0.15 0.00 0.02 0.00 0.00 61.00 63.35 3hig s PRO 142 Cb -0.17 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3hig s PRO 142 CO 0.25 -1.92 1.06 -1.50 -0.33 0.00 0.00 177.00 174.56 3hig s ILE 143 N -1.95 3.86 0.21 2.83 2.07 -1.26 -5.07 121.20 121.88 3hig s ILE 143 Ca 0.75 0.82 0.04 0.00 -1.41 0.00 0.00 60.65 60.85 3hig s ILE 143 Cb -0.30 -3.38 -0.05 0.00 0.13 0.00 0.00 42.46 38.86 3hig s ILE 143 CO 0.46 -0.58 -0.03 -0.94 -1.91 0.00 0.00 174.94 171.94 3hig s SER 144 N -3.00 1.82 0.24 4.50 1.04 -1.26 -5.03 113.70 112.01 3hig s SER 144 Ca 0.62 -1.16 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 3hig s SER 144 Cb -0.15 0.00 0.42 0.00 0.10 0.00 0.00 66.02 66.39 3hig s SER 144 CO 0.41 -0.46 1.75 0.74 0.98 0.00 0.00 173.24 176.66 3hig h THR 145 N 2.56 0.72 -0.93 2.02 2.02 -1.91 -1.22 112.91 116.17 3hig h THR 145 Ca -0.38 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3hig h THR 145 Cb 1.21 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3hig h THR 145 CO 0.64 0.09 0.61 0.00 0.37 0.00 0.00 175.52 177.23 3hig h ALA 146 N 1.51 1.38 -0.32 6.16 0.00 -1.89 -2.04 119.26 124.04 3hig h ALA 146 Ca 0.39 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 3hig h ALA 146 Cb 0.54 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hig h ALA 146 CO -0.36 0.55 -0.32 1.49 0.00 0.00 0.00 179.25 180.61 3hig h GLU 147 N 1.21 0.71 -0.51 0.00 4.81 -1.64 -2.05 114.58 117.11 3hig h GLU 147 Ca 0.36 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3hig h GLU 147 Cb -0.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3hig h GLU 147 CO -0.09 0.93 0.13 1.88 -0.73 0.00 0.00 179.01 181.13 3hig h TYR 148 N 0.60 0.84 -0.39 0.92 0.05 -0.92 -0.18 116.97 117.89 3hig h TYR 148 Ca 0.07 -0.10 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3hig h TYR 148 Cb 0.84 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.30 3hig h TYR 148 CO 0.04 0.74 0.13 0.00 -1.05 0.00 0.00 178.16 178.03 3hig h ALA 149 N 1.00 0.45 -0.54 3.88 0.00 -1.15 0.10 119.26 123.01 3hig h ALA 149 Ca 0.16 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hig h ALA 149 Cb 0.32 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hig h ALA 149 CO -0.00 -0.26 0.00 -0.07 0.00 0.00 0.00 179.25 178.93 3hig h LEU 150 N 0.29 0.89 -0.96 0.00 3.38 -1.15 -1.81 115.31 115.95 3hig h LEU 150 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hig h LEU 150 Cb 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3hig h LEU 150 CO -0.18 0.95 0.62 -0.07 0.09 0.00 0.00 178.44 179.84 3hig h LEU 151 N 0.85 1.12 -0.93 1.67 3.38 -0.50 -0.94 115.31 119.96 3hig h LEU 151 Ca 0.16 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hig h LEU 151 Cb 0.50 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hig h LEU 151 CO 0.02 0.83 0.60 1.88 0.09 0.00 0.00 178.44 181.87 3hig h TYR 152 N 1.31 1.19 -0.52 1.13 0.05 -0.19 -1.03 116.97 118.92 3hig h TYR 152 Ca 0.35 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.10 3hig h TYR 152 Cb -0.12 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.20 3hig h TYR 152 CO -0.00 0.76 0.14 0.45 -1.05 0.00 0.00 178.16 178.46 3hig h HIS 153 N 1.27 0.86 -0.74 4.88 3.86 -0.76 -1.11 115.15 123.40 3hig h HIS 153 Ca 0.34 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3hig h HIS 153 Cb -0.12 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.07 3hig h HIS 153 CO -0.00 0.75 0.49 1.15 0.86 0.00 0.00 177.93 181.17 3hig h THR 154 N 0.72 1.18 -0.35 2.45 2.02 -0.91 -2.05 112.91 115.97 3hig h THR 154 Ca 0.16 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 3hig h THR 154 Cb 0.31 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3hig h THR 154 CO -0.00 0.18 -0.28 -0.07 0.37 0.00 0.00 175.52 175.72 3hig h LEU 155 N 1.00 0.86 -0.82 2.58 3.38 -0.97 0.98 115.31 122.31 3hig h LEU 155 Ca 0.27 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3hig h LEU 155 Cb -0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.34 3hig h LEU 155 CO -0.06 1.13 0.50 1.56 0.09 0.00 0.00 178.44 181.65 3hig h GLN 156 N 0.60 0.86 0.29 1.13 4.20 -1.08 -0.19 115.11 120.92 3hig h GLN 156 Ca 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3hig h GLN 156 Cb 0.86 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3hig h GLN 156 CO 0.07 0.57 -0.14 0.93 -0.67 0.00 0.00 178.83 179.60 3hig h GLU 157 N 0.89 -0.37 -0.36 1.46 4.39 -1.33 -3.30 114.58 115.96 3hig h GLU 157 Ca 0.37 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.19 3hig h GLU 157 Cb 0.21 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3hig h GLU 157 CO -0.19 -0.16 0.25 0.00 -1.16 0.00 0.00 179.01 177.75 3hig h ALA 158 N -0.94 2.27 -0.63 3.43 0.00 -0.80 -2.08 119.26 120.50 3hig h ALA 158 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hig h ALA 158 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hig h ALA 158 CO 0.06 -0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.20 3hig n THR 159 N -4.44 1.04 -0.25 0.00 -2.24 -0.09 -4.44 114.28 103.86 3hig n THR 159 Ca 0.05 -0.91 0.04 0.00 -2.27 0.00 0.00 64.05 60.97 3hig n THR 159 Cb 0.40 0.35 0.17 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 3.75 0.41 -0.65 -0.78 1.57 -1.45 0.96 116.57 120.39 3hig h LYS 160 Ca 0.00 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 3hig h LYS 160 Cb 0.97 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 3hig h LYS 160 CO 0.05 0.27 0.55 -1.35 -0.57 0.00 0.00 179.45 178.40 3hig h PRO 161 N 0.43 0.00 -0.09 3.15 0.11 -1.84 -1.57 132.00 132.19 3hig h PRO 161 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3hig h PRO 161 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3hig h PRO 161 CO -0.39 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.68 3hig n LEU 162 N -4.00 1.86 -0.14 2.35 4.77 0.33 -4.54 117.00 117.63 3hig n LEU 162 Ca 0.13 -0.69 -0.04 0.00 -0.03 0.00 0.00 56.01 55.38 3hig n LEU 162 Cb 0.80 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.86 3hig n LEU 162 CO 0.33 0.34 0.74 -0.74 -1.33 0.00 0.00 177.39 176.73 3hig h HIS 163 N 2.73 -0.40 -0.33 -1.77 2.76 -1.27 0.43 115.15 117.29 3hig h HIS 163 Ca 0.00 0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 3hig h HIS 163 Cb 0.59 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 3hig h HIS 163 CO 0.05 -0.26 -0.37 1.96 -1.30 0.00 0.00 177.93 178.01 3hig h GLN 164 N -0.07 0.79 -0.58 5.26 1.08 -1.84 -1.10 115.11 118.65 3hig h GLN 164 Ca 0.22 -0.40 0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3hig h GLN 164 Cb 0.41 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 3hig h GLN 164 CO -0.51 1.03 0.12 0.35 -0.95 0.00 0.00 178.83 178.86 3hig h PHE 165 N 0.65 0.19 -0.07 2.96 3.57 -1.50 -0.15 116.94 122.59 3hig h PHE 165 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3hig h PHE 165 Cb 0.93 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 3hig h PHE 165 CO 0.05 -0.02 0.05 0.74 -2.23 0.00 0.00 178.31 176.89 3hig h PHE 166 N 0.25 0.09 -0.60 0.41 0.04 0.71 -0.41 116.94 117.44 3hig h PHE 166 Ca 0.30 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 3hig h PHE 166 Cb 0.43 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 3hig h PHE 166 CO -0.24 0.08 0.29 -0.07 -0.60 0.00 0.00 178.31 177.77 3hig h LEU 167 N 0.08 0.78 -0.30 1.54 3.38 -1.04 0.86 115.31 120.61 3hig h LEU 167 Ca 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3hig h LEU 167 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hig h LEU 167 CO -0.01 0.69 -0.17 0.78 0.09 0.00 0.00 178.44 179.83 3hig h ASN 168 N 0.82 0.67 0.79 -0.43 4.21 -0.86 -2.03 115.58 118.74 3hig h ASN 168 Ca 0.21 -0.42 -0.25 0.00 1.21 0.00 0.00 56.30 57.05 3hig h ASN 168 Cb 0.12 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 3hig h ASN 168 CO -0.03 0.95 -1.24 0.71 -1.29 0.00 0.00 177.43 176.53 3hig h THR 169 N 0.39 1.44 0.00 2.81 1.35 -1.01 -3.42 112.91 114.47 3hig h THR 169 Ca 0.06 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 3hig h THR 169 Cb 0.71 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3hig h THR 169 CO 0.05 0.84 -0.77 0.35 -0.25 0.00 0.00 175.52 175.74 3hig n THR 170 N -3.31 0.00 -0.86 6.82 -2.24 0.27 0.34 114.28 115.30 3hig n THR 170 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hig n THR 170 Cb 0.98 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.92 0.60 3.56 3.38 0.00 -0.76 -4.90 105.19 109.00 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 -2.75 2.37 0.27 1.61 0.40 -1.25 -4.92 117.98 113.70 3hig s PHE 172 Ca 0.00 -0.67 -0.14 0.00 -0.60 0.00 0.00 56.93 55.52 3hig s PHE 172 Cb 0.00 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.97 3hig s PHE 172 CO 0.00 0.41 0.54 -1.54 0.70 0.00 0.00 175.22 175.33 3hig s SER 173 N -3.63 -0.06 -0.14 1.36 1.04 -0.89 -3.69 113.70 107.68 3hig s SER 173 Ca 0.34 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.91 3hig s SER 173 Cb 0.08 0.63 -0.23 0.00 0.10 0.00 0.00 66.02 66.60 3hig s SER 173 CO 0.17 -1.22 0.27 0.49 0.98 0.00 0.00 173.24 173.93 3hig n PHE 174 N -0.42 0.71 -3.76 5.02 3.72 -1.26 -1.14 117.46 120.33 3hig n PHE 174 Ca -0.02 0.19 -0.37 0.00 -0.05 0.00 0.00 57.45 57.20 3hig n PHE 174 Cb 0.61 -1.11 -0.06 0.00 -0.94 0.00 0.00 39.48 37.99 3hig n PHE 174 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3hig s GLN 175 N -2.55 3.59 -1.44 -1.08 -2.07 -1.26 -4.49 119.66 110.36 3hig s GLN 175 Ca -0.18 0.01 -0.11 0.00 -1.82 0.00 0.00 55.36 53.26 3hig s GLN 175 Cb 0.07 -3.17 0.05 0.00 -1.09 0.00 0.00 33.01 28.87 3hig s GLN 175 CO 0.76 0.72 1.08 -0.25 -1.32 0.00 0.00 175.29 176.28 3hig n ASP 176 N 1.70 -5.41 -4.84 12.60 8.00 -1.26 -5.00 116.55 122.34 3hig n ASP 176 Ca -0.16 -0.67 -0.24 0.00 0.71 0.00 0.00 54.79 54.44 3hig n ASP 176 Cb 0.54 -4.45 -0.04 0.00 -0.02 0.00 0.00 41.12 37.14 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 -0.84 -1.57 0.31 0.00 8.25 -1.26 -4.92 115.22 115.19 3hig n HIS 178 Ca -0.08 0.28 0.04 0.00 -0.26 0.00 0.00 57.72 57.69 3hig n HIS 178 Cb 0.56 0.40 0.03 0.00 1.12 0.00 0.00 29.99 32.10 3hig n HIS 178 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hig n ASP 179 N -3.36 1.59 -3.12 0.41 8.00 -1.26 -4.72 116.55 114.09 3hig n ASP 179 Ca 0.00 -1.30 -0.25 0.00 0.71 0.00 0.00 54.79 53.96 3hig n ASP 179 Cb 0.00 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3hig n ASP 179 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hig n ARG 180 N 0.39 2.38 -3.65 -1.24 1.74 -1.26 -4.99 116.66 110.03 3hig n ARG 180 Ca 0.04 -4.36 -0.37 0.00 -0.77 0.00 0.00 57.85 52.39 3hig n ARG 180 Cb 0.18 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.46 29.53 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 -1.27 4.30 0.32 0.00 1.43 -0.29 -0.93 118.68 122.24 3hig s LEU 182 Ca 0.23 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 55.09 3hig s LEU 182 Cb -0.15 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 3hig s LEU 182 CO 0.12 -0.07 0.10 0.00 0.23 0.00 0.00 176.35 176.72 3hig s ALA 183 N -1.65 2.21 0.09 4.21 0.00 -0.09 -4.80 121.76 121.73 3hig s ALA 183 Ca 0.50 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.71 3hig s ALA 183 Cb -0.17 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3hig s ALA 183 CO 0.22 -0.39 -0.14 -0.59 0.00 0.00 0.00 175.76 174.86 3hig s PHE 184 N -3.47 1.28 -0.21 0.00 -0.71 -1.26 -0.43 117.98 113.18 3hig s PHE 184 Ca 0.34 -0.51 -0.05 0.00 -1.04 0.00 0.00 56.93 55.67 3hig s PHE 184 Cb 0.07 -0.70 -0.02 0.00 -1.21 0.00 0.00 43.02 41.16 3hig s PHE 184 CO 0.15 0.08 -0.00 0.99 -1.34 0.00 0.00 175.22 175.10 3hig s THR 185 N -1.70 3.89 0.39 -4.49 2.01 -0.63 -4.95 115.64 110.17 3hig s THR 185 Ca 0.03 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 3hig s THR 185 Cb -0.07 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 3hig s THR 185 CO 0.02 0.42 0.73 1.51 -0.69 0.00 0.00 174.62 176.62 3hig s ASP 186 N 1.10 6.49 0.05 3.53 -4.77 -1.26 -1.66 116.67 120.14 3hig s ASP 186 Ca 0.02 1.04 0.09 0.00 -3.30 0.00 0.00 52.55 50.40 3hig s ASP 186 Cb -0.14 -2.28 -0.03 0.00 -1.09 0.00 0.00 42.92 39.37 3hig s ASP 186 CO 0.01 -0.38 -0.24 -0.69 0.70 0.00 0.00 175.17 174.57 3hig s VAL 187 N -2.35 2.30 0.13 2.11 1.01 -0.93 -4.98 120.40 117.69 3hig s VAL 187 Ca 0.50 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3hig s VAL 187 Cb -0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3hig s VAL 187 CO 0.32 0.35 -0.13 0.00 0.00 0.00 0.00 175.10 175.64 3hig s ALA 188 N -0.84 1.49 0.98 5.51 0.00 -1.26 -4.40 121.76 123.23 3hig s ALA 188 Ca 0.12 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 3hig s ALA 188 Cb -0.10 -0.04 0.18 0.00 0.00 0.00 0.00 23.12 23.15 3hig s ALA 188 CO 0.03 0.04 1.14 -1.25 0.00 0.00 0.00 175.76 175.72 3hig s PRO 189 N -2.98 0.60 -0.76 0.00 0.04 -1.26 -1.18 135.00 129.47 3hig s PRO 189 Ca 0.11 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.40 3hig s PRO 189 Cb -0.03 -1.78 0.28 0.00 0.04 0.00 0.00 34.50 33.00 3hig s PRO 189 CO 0.03 -2.55 1.00 0.54 0.04 0.00 0.00 177.00 176.05 3hig n ARG 190 N -4.00 3.21 0.00 4.56 1.74 -1.26 -4.86 116.66 116.06 3hig n ARG 190 Ca 0.08 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.50 3hig n ARG 190 Cb 0.59 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 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 0.84 0.95 0.00 -0.13 0.00 -0.95 -0.92 105.19 104.98 3hig n GLY 191 Ca 0.30 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 8.46 0.24 -3.47 1.61 0.24 -1.26 -5.04 118.33 119.12 3hig n VAL 192 Ca 0.00 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.34 61.62 3hig n VAL 192 Cb 0.00 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.24 -1.72 0.23 2.33 0.00 -1.26 -5.11 121.76 115.99 3hig s ALA 193 Ca 0.00 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 3hig s ALA 193 Cb 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 23.12 23.48 3hig s ALA 193 CO 0.00 -0.66 1.17 0.45 0.00 0.00 0.00 175.76 176.73 3hig n SER 194 N -0.07 1.67 0.00 0.00 2.88 -1.26 -2.73 113.62 114.10 3hig n SER 194 Ca -0.14 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3hig n SER 194 Cb 0.62 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 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 1.78 0.79 3.88 0.46 0.00 -1.26 -5.05 105.19 105.79 3hig n GLY 195 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.74 3.80 -0.41 1.61 -0.21 -1.11 -4.77 119.66 117.83 3hig s GLN 196 Ca 0.00 0.29 0.06 0.00 0.02 0.00 0.00 55.36 55.73 3hig s GLN 196 Cb 0.00 -2.61 0.22 0.00 1.00 0.00 0.00 33.01 31.62 3hig s GLN 196 CO 0.00 0.27 0.46 -2.13 -2.12 0.00 0.00 175.29 171.77 3hig n ARG 197 N -0.31 0.60 -4.00 2.91 0.63 -1.17 -4.71 116.66 110.61 3hig n ARG 197 Ca 0.01 -3.28 -0.31 0.00 -0.92 0.00 0.00 57.85 53.34 3hig n ARG 197 Cb 0.53 -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 -0.77 1.96 -0.10 -0.14 0.52 -0.09 -1.33 118.95 118.99 3hig s ARG 198 Ca 0.34 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 3hig s ARG 198 Cb 0.12 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 3hig s ARG 198 CO -0.14 -0.54 -0.12 -1.12 0.02 0.00 0.00 175.30 173.40 3hig s SER 199 N 1.30 4.19 0.13 0.23 0.01 -0.25 -2.25 113.70 117.06 3hig s SER 199 Ca -0.06 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 3hig s SER 199 Cb -0.18 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 64.63 3hig s SER 199 CO -0.06 0.24 1.03 0.26 0.41 0.00 0.00 173.24 175.12 3hig s TRP 200 N -0.12 3.71 -0.15 2.43 0.52 -1.26 -1.07 118.94 123.01 3hig s TRP 200 Ca -0.01 1.70 0.02 0.00 0.02 0.00 0.00 56.10 57.84 3hig s TRP 200 Cb -0.14 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 29.04 3hig s TRP 200 CO 0.03 -0.17 -0.21 -0.51 0.02 0.00 0.00 176.95 176.11 3hig s LEU 201 N -0.09 2.08 -0.23 2.99 1.43 0.13 -2.19 118.68 122.79 3hig s LEU 201 Ca 0.48 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 3hig s LEU 201 Cb -0.26 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3hig s LEU 201 CO 0.32 0.06 0.69 -0.63 0.23 0.00 0.00 176.35 177.02 3hig s ILE 202 N 0.94 4.95 0.05 -0.59 1.01 -0.66 -0.96 121.20 125.93 3hig s ILE 202 Ca -0.04 1.29 -0.22 0.00 0.00 0.00 0.00 60.65 61.68 3hig s ILE 202 Cb -0.15 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 3hig s ILE 202 CO -0.04 0.02 0.67 -0.63 0.00 0.00 0.00 174.94 174.96 3hig s ILE 203 N 2.42 4.75 0.10 2.92 -1.09 -0.69 -1.61 121.20 128.01 3hig s ILE 203 Ca 0.30 1.42 0.01 0.00 -2.23 0.00 0.00 60.65 60.15 3hig s ILE 203 Cb -0.16 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3hig s ILE 203 CO 0.09 0.44 -0.02 -1.10 -1.23 0.00 0.00 174.94 173.11 3hig s GLN 204 N -0.44 0.84 -0.22 2.79 -0.21 0.43 -1.16 119.66 121.69 3hig s GLN 204 Ca 0.34 -1.36 -0.21 0.00 0.02 0.00 0.00 55.36 54.15 3hig s GLN 204 Cb -0.20 -0.04 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 3hig s GLN 204 CO 0.21 -0.10 0.66 1.03 -2.12 0.00 0.00 175.29 174.96 3hig s ARG 205 N -3.91 4.17 -1.20 2.91 0.52 -0.40 -0.92 118.95 120.12 3hig s ARG 205 Ca 0.15 0.64 -0.21 0.00 -0.52 0.00 0.00 55.73 55.79 3hig s ARG 205 Cb 0.06 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3hig s ARG 205 CO -0.03 -0.34 1.82 -0.47 0.02 0.00 0.00 175.30 176.30 3hig s TYR 206 N 2.25 2.32 0.47 -0.53 5.04 -0.10 -4.62 117.35 122.17 3hig s TYR 206 Ca 0.29 -0.47 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 3hig s TYR 206 Cb -0.16 -4.36 -0.03 0.00 0.35 0.00 0.00 41.96 37.76 3hig s TYR 206 CO 0.09 -1.53 0.02 0.14 -1.34 0.00 0.00 175.55 172.93 3hig s VAL 207 N 7.78 1.27 -0.25 3.14 -7.23 -1.26 -4.65 120.40 119.20 3hig s VAL 207 Ca 0.61 -2.00 -0.37 0.00 -1.81 0.00 0.00 61.98 58.41 3hig s VAL 207 Cb 0.01 -2.40 -0.14 0.00 0.56 0.00 0.00 36.38 34.41 3hig s VAL 207 CO 0.09 0.00 1.90 1.21 -0.31 0.00 0.00 175.10 177.98 3hig n GLU 208 N -1.12 1.40 -2.81 4.82 2.13 -1.26 -0.77 120.64 123.03 3hig n GLU 208 Ca -0.13 0.49 -0.09 0.00 0.66 0.00 0.00 57.16 58.09 3hig n GLU 208 Cb 0.67 -2.33 0.03 0.00 0.27 0.00 0.00 31.44 30.08 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 4.87 0.28 0.34 8.31 0.00 -1.26 -4.48 105.19 113.25 3hig n GLY 209 Ca 0.29 -0.29 0.18 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.96 0.00 -0.99 1.61 -0.00 -1.21 -2.35 116.97 113.07 3hig h TYR 210 Ca -0.23 0.00 0.26 0.00 0.00 0.00 0.00 58.73 58.76 3hig h TYR 210 Cb 1.14 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.81 3hig h TYR 210 CO 0.19 0.00 0.67 0.74 -0.00 0.00 0.00 178.16 179.76 3hig h PHE 211 N 0.00 0.37 -0.55 0.10 -1.00 -1.88 -1.76 116.94 112.22 3hig h PHE 211 Ca 0.06 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3hig h PHE 211 Cb 0.52 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3hig h PHE 211 CO 0.00 0.06 0.00 1.28 -1.61 0.00 0.00 178.31 178.04 3hig n LEU 212 N -4.44 4.98 -2.90 1.54 4.77 -0.88 -4.55 117.00 115.51 3hig n LEU 212 Ca 0.22 -2.52 -0.25 0.00 -0.03 0.00 0.00 56.01 53.43 3hig n LEU 212 Cb 0.91 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3hig n LEU 212 CO 0.32 0.65 0.08 1.41 -1.33 0.00 0.00 177.39 178.53 3hig n HIS 213 N 0.74 3.23 -2.13 -1.77 8.25 -0.66 -4.93 115.22 117.95 3hig n HIS 213 Ca 0.25 -3.79 -0.36 0.00 -0.26 0.00 0.00 57.72 53.55 3hig n HIS 213 Cb 1.01 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.72 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 -3.30 3.32 0.05 -0.41 0.04 -1.26 -1.28 135.00 132.16 3hig s PRO 214 Ca 0.47 1.80 0.22 0.00 0.04 0.00 0.00 61.00 63.53 3hig s PRO 214 Cb 0.32 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 3hig s PRO 214 CO -0.13 -0.92 0.88 0.25 0.04 0.00 0.00 177.00 177.12 3hig n THR 215 N -1.13 0.18 0.00 1.26 -2.24 -0.31 -4.86 114.28 107.19 3hig n THR 215 Ca 0.11 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3hig n THR 215 Cb 0.49 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.33 0.49 3.79 3.38 0.00 -1.26 -4.96 105.19 107.96 3hig n GLY 216 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.12 0.02 0.99 2.96 -1.26 -1.30 118.68 124.22 3hig s LEU 217 Ca 0.00 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 3hig s LEU 217 Cb 0.00 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3hig s LEU 217 CO 0.00 0.34 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.67 3hig s GLU 218 N -0.63 0.66 -0.02 1.98 2.02 0.77 -1.71 118.70 121.77 3hig s GLU 218 Ca 0.12 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.63 3hig s GLU 218 Cb -0.12 -0.60 -0.00 0.00 0.10 0.00 0.00 34.13 33.51 3hig s GLU 218 CO 0.02 0.15 -0.12 -0.51 0.02 0.00 0.00 175.26 174.82 3hig s LEU 219 N -0.77 1.92 -0.30 1.80 1.43 -0.13 -0.86 118.68 121.77 3hig s LEU 219 Ca -0.01 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3hig s LEU 219 Cb -0.06 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 3hig s LEU 219 CO 0.00 0.13 0.24 -0.22 0.23 0.00 0.00 176.35 176.72 3hig s LEU 220 N -0.06 4.16 -0.16 1.79 2.96 -0.57 0.17 118.68 126.97 3hig s LEU 220 Ca 0.00 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3hig s LEU 220 Cb -0.08 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.44 3hig s LEU 220 CO 0.00 -0.13 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.07 3hig s VAL 221 N 1.81 2.73 -0.47 1.68 1.01 -0.24 -0.44 120.40 126.49 3hig s VAL 221 Ca 0.08 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 3hig s VAL 221 Cb -0.16 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.09 3hig s VAL 221 CO 0.11 0.51 0.85 -0.62 0.00 0.00 0.00 175.10 175.95 3hig s ASP 222 N 0.84 6.43 -0.24 3.32 -1.08 -0.57 -1.09 116.67 124.28 3hig s ASP 222 Ca -0.04 -0.07 0.10 0.00 -0.52 0.00 0.00 52.55 52.01 3hig s ASP 222 Cb -0.15 -2.41 0.44 0.00 -1.46 0.00 0.00 42.92 39.34 3hig s ASP 222 CO -0.00 -1.00 1.20 0.00 0.52 0.00 0.00 175.17 175.89 3hig n HIS 223 N 6.95 1.34 -0.10 -5.34 1.44 -0.44 -2.88 115.22 116.19 3hig n HIS 223 Ca 0.03 -1.83 -0.14 0.00 -2.01 0.00 0.00 57.72 53.77 3hig n HIS 223 Cb 0.48 -0.29 -0.03 0.00 0.12 0.00 0.00 29.99 30.27 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 1.60 1.00 -3.27 -1.39 0.00 -1.90 -3.46 103.07 95.65 3hig h GLY 224 Ca 0.17 -1.10 -0.52 0.00 0.00 0.00 0.00 47.33 45.87 3hig h GLY 224 CO 0.37 0.99 0.59 -0.45 0.00 0.00 0.00 176.54 178.04 3hig s SER 225 N -6.90 6.23 0.00 0.19 0.15 -1.26 -4.90 113.70 107.20 3hig s SER 225 Ca -0.11 2.60 0.21 0.00 0.70 0.00 0.00 55.95 59.35 3hig s SER 225 Cb 0.11 -2.63 1.02 0.00 -1.71 0.00 0.00 66.02 62.81 3hig s SER 225 CO 0.89 -0.90 1.65 0.35 1.20 0.00 0.00 173.24 176.43 3hig n THR 226 N -0.03 0.39 -3.52 6.45 -2.24 -1.26 -4.34 114.28 109.73 3hig n THR 226 Ca 0.05 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.50 3hig n THR 226 Cb 0.44 -0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.60 5.84 0.61 3.42 -1.08 -1.26 -3.40 116.67 118.19 3hig s ASP 227 Ca 0.19 -1.44 0.32 0.00 -0.52 0.00 0.00 52.55 51.10 3hig s ASP 227 Cb 0.14 -2.06 1.86 0.00 -1.46 0.00 0.00 42.92 41.39 3hig s ASP 227 CO 0.32 -0.58 2.19 0.00 0.52 0.00 0.00 175.17 177.62 3hig h ALA 228 N 8.54 1.53 -0.02 3.66 0.00 -1.98 -0.21 119.26 130.78 3hig h ALA 228 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hig h ALA 228 Cb 1.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hig h ALA 228 CO 0.81 -0.14 0.02 0.78 0.00 0.00 0.00 179.25 180.71 3hig h GLY 229 N 0.00 0.00 1.93 0.00 0.00 -1.94 -1.52 103.07 101.54 3hig h GLY 229 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3hig h GLY 229 CO -0.00 0.00 -0.04 1.42 0.00 0.00 0.00 176.54 177.92 3hig n HIS 230 N -3.93 0.21 -2.24 5.60 8.25 -0.09 -4.91 115.22 118.11 3hig n HIS 230 Ca -0.03 0.06 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 3hig n HIS 230 Cb 0.10 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 30.61 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 -3.02 3.00 -0.02 4.41 0.51 -0.57 -5.01 118.94 118.23 3hig s TRP 231 Ca 0.13 1.52 -0.05 0.00 -2.12 0.00 0.00 56.10 55.59 3hig s TRP 231 Cb 0.17 -3.45 0.00 0.00 -0.81 0.00 0.00 33.47 29.39 3hig s TRP 231 CO 0.56 -1.50 0.11 0.00 -0.51 0.00 0.00 176.95 175.61 3hig s ALA 232 N -1.38 -0.26 -0.28 0.98 0.00 -1.14 -5.00 121.76 114.68 3hig s ALA 232 Ca 0.57 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 3hig s ALA 232 Cb -0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 3hig s ALA 232 CO 0.41 -0.12 1.31 0.08 0.00 0.00 0.00 175.76 177.43 3hig s VAL 233 N -0.58 4.15 -1.10 0.00 1.01 -1.26 -1.52 120.40 121.10 3hig s VAL 233 Ca -0.07 1.31 0.20 0.00 0.00 0.00 0.00 61.98 63.42 3hig s VAL 233 Cb -0.04 -4.12 -0.18 0.00 0.00 0.00 0.00 36.38 32.04 3hig s VAL 233 CO 0.00 -0.42 0.88 -1.84 0.00 0.00 0.00 175.10 173.72 3hig n GLU 234 N 7.22 0.57 -3.53 2.72 0.28 0.42 -4.89 120.64 123.43 3hig n GLU 234 Ca 0.15 -0.16 -0.14 0.00 -0.16 0.00 0.00 57.16 56.85 3hig n GLU 234 Cb 0.46 -1.44 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.79 0.90 -0.02 3.44 2.00 -1.22 -4.82 119.66 117.15 3hig s GLN 235 Ca 0.09 0.07 0.01 0.00 -2.00 0.00 0.00 55.36 53.53 3hig s GLN 235 Cb 0.15 0.42 0.01 0.00 0.80 0.00 0.00 33.01 34.39 3hig s GLN 235 CO 0.77 -0.31 -0.03 0.08 -0.50 0.00 0.00 175.29 175.30 3hig s VAL 236 N -1.69 0.35 -0.07 1.34 1.01 -1.26 -1.52 120.40 118.55 3hig s VAL 236 Ca -0.05 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3hig s VAL 236 Cb -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.03 3hig s VAL 236 CO 0.02 0.14 -0.16 0.86 0.00 0.00 0.00 175.10 175.96 3hig s TRP 237 N 0.39 1.83 -0.04 5.22 -0.00 -0.04 -0.72 118.94 125.58 3hig s TRP 237 Ca -0.04 -0.69 -0.02 0.00 -0.00 0.00 0.00 56.10 55.35 3hig s TRP 237 Cb -0.08 -1.28 0.03 0.00 -0.00 0.00 0.00 33.47 32.15 3hig s TRP 237 CO -0.00 -0.31 0.07 -0.47 -0.00 0.00 0.00 176.95 176.24 3hig s TYR 238 N 0.50 -0.00 -1.59 5.86 5.04 -0.41 -0.16 117.35 126.59 3hig s TYR 238 Ca -0.15 0.29 -0.06 0.00 -2.44 0.00 0.00 57.07 54.71 3hig s TYR 238 Cb -0.16 -0.34 0.05 0.00 0.35 0.00 0.00 41.96 41.86 3hig s TYR 238 CO 0.05 -0.17 0.26 -1.71 -1.34 0.00 0.00 175.55 172.65 3hig n ASN 239 N 4.85 -0.17 0.00 4.32 5.15 -0.42 -2.03 115.26 126.97 3hig n ASN 239 Ca -0.13 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.66 3hig n ASN 239 Cb 0.50 -2.03 0.00 0.00 -0.53 0.00 0.00 39.78 37.72 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 -2.10 0.51 3.10 8.20 0.00 -1.26 -5.05 105.19 108.58 3hig n GLY 240 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.96 0.62 0.14 1.61 1.02 -0.86 -5.15 119.74 116.16 3hig s LYS 241 Ca 0.00 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.05 3hig s LYS 241 Cb 0.00 -0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 36.81 3hig s LYS 241 CO 0.00 0.08 0.49 -0.06 -0.92 0.00 0.00 175.35 174.95 3hig s PHE 242 N -1.42 3.56 0.00 3.18 0.08 -1.26 -1.28 117.98 120.84 3hig s PHE 242 Ca -0.07 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.90 3hig s PHE 242 Cb -0.10 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 3hig s PHE 242 CO 0.01 0.43 0.00 0.66 -0.10 0.00 0.00 175.22 176.22 3hig n TYR 243 N 0.63 0.00 0.00 0.36 4.02 0.11 -4.98 117.16 117.30 3hig n TYR 243 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3hig n TYR 243 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 3hig n TYR 243 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hig n GLY 244 N 0.43 2.16 3.11 2.72 0.00 -1.26 -4.49 105.19 107.87 3hig n GLY 244 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 0.38 0.37 1.61 1.04 -1.26 -3.72 113.70 112.12 3hig s SER 245 Ca 0.00 -0.87 0.07 0.00 0.48 0.00 0.00 55.95 55.63 3hig s SER 245 Cb 0.00 0.23 0.78 0.00 0.10 0.00 0.00 66.02 67.12 3hig s SER 245 CO 0.00 -0.60 1.97 -0.65 0.98 0.00 0.00 173.24 174.94 3hig h PRO 246 N 3.19 0.68 -0.46 4.02 0.11 -1.90 -2.64 132.00 135.01 3hig h PRO 246 Ca -0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3hig h PRO 246 Cb 1.16 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3hig h PRO 246 CO 0.61 0.45 0.10 0.93 -0.21 0.00 0.00 178.00 179.88 3hig h GLU 247 N 0.70 0.74 -0.63 1.05 3.07 -1.95 -1.47 114.58 116.10 3hig h GLU 247 Ca 0.29 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3hig h GLU 247 Cb 0.24 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 3hig h GLU 247 CO -0.09 0.74 0.39 1.49 -1.40 0.00 0.00 179.01 180.14 3hig h GLU 248 N 0.61 0.84 -0.70 2.33 4.81 -1.78 0.11 114.58 120.80 3hig h GLU 248 Ca 0.14 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3hig h GLU 248 Cb 0.34 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3hig h GLU 248 CO 0.00 0.59 0.31 1.25 -0.73 0.00 0.00 179.01 180.43 3hig h LEU 249 N 0.85 0.94 -0.53 1.64 5.85 -1.29 -1.20 115.31 121.56 3hig h LEU 249 Ca 0.23 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3hig h LEU 249 Cb -0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3hig h LEU 249 CO -0.04 0.83 0.32 0.00 -0.34 0.00 0.00 178.44 179.21 3hig h ALA 250 N 1.14 0.67 0.73 1.25 0.00 -0.83 0.99 119.26 123.21 3hig h ALA 250 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hig h ALA 250 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hig h ALA 250 CO -0.02 0.16 -0.38 0.07 0.00 0.00 0.00 179.25 179.08 3hig h ARG 251 N 0.71 -0.97 -0.38 0.00 -0.00 -0.76 0.27 114.38 113.25 3hig h ARG 251 Ca 0.19 0.07 0.02 0.00 -0.00 0.00 0.00 59.98 60.25 3hig h ARG 251 Cb -0.02 0.22 -0.02 0.00 -0.00 0.00 0.00 29.97 30.16 3hig h ARG 251 CO -0.04 -0.65 0.25 0.87 -0.00 0.00 0.00 179.97 180.41 3hig h LYS 252 N -1.01 0.45 -0.06 0.08 1.57 -1.12 0.48 116.57 116.95 3hig h LYS 252 Ca -0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3hig h LYS 252 Cb 0.79 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hig h LYS 252 CO 0.14 0.30 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.34 3hig h TYR 253 N 0.46 0.18 -0.62 -1.35 3.20 -0.59 -0.15 116.97 118.11 3hig h TYR 253 Ca 0.15 -0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3hig h TYR 253 Cb 0.03 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.17 3hig h TYR 253 CO -0.00 0.60 0.13 0.00 -1.64 0.00 0.00 178.16 177.24 3hig h ALA 254 N 0.55 0.73 0.00 1.82 0.00 0.89 -1.48 119.26 121.77 3hig h ALA 254 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hig h ALA 254 Cb 0.57 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hig h ALA 254 CO 0.02 -0.31 0.00 -0.25 0.00 0.00 0.00 179.25 178.70 3hig n ASP 255 N -5.14 0.00 -1.18 0.00 8.00 0.15 -4.87 116.55 113.52 3hig n ASP 255 Ca 0.09 -1.65 -0.15 0.00 0.71 0.00 0.00 54.79 53.80 3hig n ASP 255 Cb 0.34 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.33 1.36 1.53 0.44 0.00 -0.56 -4.90 105.19 103.39 3hig n GLY 256 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.56 3.46 -4.52 1.61 1.02 -0.09 -4.91 120.64 114.65 3hig n GLU 257 Ca -0.15 -2.84 -0.33 0.00 -0.02 0.00 0.00 57.16 53.83 3hig n GLU 257 Cb 0.50 -1.80 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.60 2.14 -0.61 2.62 1.01 -1.23 -4.91 120.40 117.82 3hig s VAL 258 Ca 0.51 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 3hig s VAL 258 Cb 0.31 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3hig s VAL 258 CO 0.27 0.54 1.56 1.51 0.00 0.00 0.00 175.10 178.99 3hig s ASP 259 N 0.93 5.82 0.28 3.32 1.47 -1.26 -4.98 116.67 122.25 3hig s ASP 259 Ca -0.04 0.19 0.01 0.00 1.18 0.00 0.00 52.55 53.89 3hig s ASP 259 Cb -0.15 -2.54 -0.03 0.00 -0.34 0.00 0.00 42.92 39.85 3hig s ASP 259 CO -0.04 -1.98 0.46 0.68 0.68 0.00 0.00 175.17 174.97 3hig s VAL 260 N 7.10 5.17 -0.34 2.11 -7.23 -1.26 -4.96 120.40 120.99 3hig s VAL 260 Ca 0.55 -0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 60.10 3hig s VAL 260 Cb -0.11 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 33.06 3hig s VAL 260 CO 0.22 -0.39 0.08 -0.69 -0.31 0.00 0.00 175.10 174.00 3hig s VAL 261 N -2.11 3.35 -0.19 1.32 1.01 -1.26 -5.08 120.40 117.44 3hig s VAL 261 Ca 0.38 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 3hig s VAL 261 Cb -0.10 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 3hig s VAL 261 CO 0.32 -0.26 0.96 -0.69 0.00 0.00 0.00 175.10 175.43 3hig s VAL 262 N 1.29 4.77 0.03 2.92 1.01 -1.26 -4.82 120.40 124.34 3hig s VAL 262 Ca -0.01 1.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 3hig s VAL 262 Cb -0.20 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 3hig s VAL 262 CO -0.00 -0.08 0.48 -0.76 0.00 0.00 0.00 175.10 174.74 3hig s LEU 263 N 2.65 4.50 0.87 3.92 1.43 0.15 -5.03 118.68 127.17 3hig s LEU 263 Ca 0.42 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.51 3hig s LEU 263 Cb -0.16 -2.72 0.12 0.00 0.03 0.00 0.00 46.19 43.45 3hig s LEU 263 CO 0.10 0.30 1.13 -1.83 0.23 0.00 0.00 176.35 176.28 3hig s GLU 264 N -1.11 1.41 -0.03 1.70 4.04 -1.26 -4.70 118.70 118.75 3hig s GLU 264 Ca 0.26 1.43 -0.30 0.00 0.04 0.00 0.00 54.97 56.41 3hig s GLU 264 Cb -0.18 -1.78 -0.04 0.00 0.02 0.00 0.00 34.13 32.15 3hig s GLU 264 CO 0.16 -2.32 1.23 0.34 -1.84 0.00 0.00 175.26 172.82 3hig s ASP 265 N -2.89 7.03 0.06 0.83 2.15 -1.26 -4.94 116.67 117.64 3hig s ASP 265 Ca 0.65 1.89 0.24 0.00 0.43 0.00 0.00 52.55 55.76 3hig s ASP 265 Cb -0.21 -2.56 0.27 0.00 -0.30 0.00 0.00 42.92 40.12 3hig s ASP 265 CO 0.57 -0.58 1.24 -0.81 -0.17 0.00 0.00 175.17 175.42 3hig n PRO 266 N 5.00 0.19 -3.87 4.34 -0.04 -1.26 -5.24 135.00 134.13 3hig n PRO 266 Ca 0.11 0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 3hig n PRO 266 Cb 0.46 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 3hig n PRO 266 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hig s LEU 267 N -3.72 5.02 -0.01 1.53 1.43 -1.26 -4.97 118.68 116.70 3hig s LEU 267 Ca 0.07 -2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 50.86 3hig s LEU 267 Cb 0.15 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3hig s LEU 267 CO 0.75 -0.45 0.63 -0.33 0.23 0.00 0.00 176.35 177.18 3hig h GLU 278 N 7.67 -0.24 -7.09 1.70 4.39 -2.07 -3.55 114.58 115.39 3hig h GLU 278 Ca -0.08 0.02 -0.56 0.00 0.34 0.00 0.00 59.36 59.08 3hig h GLU 278 Cb 1.02 0.05 0.17 0.00 -0.10 0.00 0.00 28.75 29.89 3hig h GLU 278 CO 0.64 -0.16 0.40 -2.30 -1.16 0.00 0.00 179.01 176.43 3hig n PRO 279 N -3.13 0.82 -1.73 2.33 -0.02 -1.26 -4.94 135.00 127.08 3hig n PRO 279 Ca -0.03 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 3hig n PRO 279 Cb 0.10 -2.45 0.06 0.00 -0.02 0.00 0.00 33.50 31.18 3hig n PRO 279 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hig s PRO 280 N -3.48 2.67 0.45 0.52 0.02 -1.26 -4.98 135.00 128.94 3hig s PRO 280 Ca 0.79 1.55 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 3hig s PRO 280 Cb -0.36 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.16 3hig s PRO 280 CO 0.44 -1.38 1.38 -1.17 -0.33 0.00 0.00 177.00 175.94 3hig s LEU 281 N -4.78 4.11 0.54 -5.54 2.96 -1.26 -4.89 118.68 109.82 3hig s LEU 281 Ca 0.70 2.82 0.24 0.00 -0.22 0.00 0.00 54.13 57.68 3hig s LEU 281 Cb -0.24 -3.97 1.43 0.00 0.50 0.00 0.00 46.19 43.90 3hig s LEU 281 CO 0.40 -1.13 2.04 2.19 -1.32 0.00 0.00 176.35 178.53 3hig h PHE 282 N 2.31 0.00 -0.17 5.38 -5.15 -1.94 0.12 116.94 117.48 3hig h PHE 282 Ca -0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.27 3hig h PHE 282 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 3hig h PHE 282 CO 0.50 0.00 0.00 -1.13 -2.00 0.00 0.00 178.31 175.68 3hig n SER 283 N -4.27 1.37 -4.91 -0.68 3.41 -1.26 -4.17 113.62 103.11 3hig n SER 283 Ca 0.06 -1.74 -0.28 0.00 -0.26 0.00 0.00 58.87 56.65 3hig n SER 283 Cb 0.46 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3hig n SER 283 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hig s SER 284 N -1.42 6.41 0.00 4.04 1.04 0.03 -4.24 113.70 119.56 3hig s SER 284 Ca 0.28 0.64 0.28 0.00 0.48 0.00 0.00 55.95 57.63 3hig s SER 284 Cb 0.15 -2.11 1.10 0.00 0.10 0.00 0.00 66.02 65.25 3hig s SER 284 CO 0.22 -0.19 1.78 1.41 0.98 0.00 0.00 173.24 177.44 3hig n HIS 285 N -1.02 0.00 -1.75 5.02 8.25 -1.26 -4.70 115.22 119.76 3hig n HIS 285 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3hig n HIS 285 Cb 0.54 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.88 2.56 -1.74 -0.41 5.02 -1.26 -4.91 118.16 116.55 3hig n LYS 286 Ca 0.14 0.90 -0.38 0.00 -2.02 0.00 0.00 58.31 56.95 3hig n LYS 286 Cb 0.30 -2.63 0.05 0.00 -0.02 0.00 0.00 35.03 32.72 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 1.21 1.65 -3.44 1.97 -0.02 -1.26 -4.93 135.00 130.18 3hig n PRO 287 Ca 0.05 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3hig n PRO 287 Cb 0.37 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 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 -2.92 1.27 0.05 -0.52 3.03 -1.26 -4.88 118.95 113.72 3hig s ARG 288 Ca 0.72 -0.48 0.00 0.00 2.03 0.00 0.00 55.73 58.01 3hig s ARG 288 Cb -0.41 0.58 0.00 0.00 -1.03 0.00 0.00 34.95 34.09 3hig s ARG 288 CO 0.49 -0.56 0.00 0.41 -1.13 0.00 0.00 175.30 174.51 3hig n GLY 289 N -0.38 -1.62 2.86 3.88 0.00 -1.26 -5.02 105.19 103.65 3hig n GLY 289 Ca -0.16 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.70 -0.01 0.54 1.61 1.01 -1.26 -5.14 116.67 109.73 3hig s ASP 290 Ca 0.00 0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.15 3hig s ASP 290 Cb 0.00 0.03 -0.06 0.00 1.01 0.00 0.00 42.92 43.90 3hig s ASP 290 CO 0.00 -0.05 1.06 -0.36 0.21 0.00 0.00 175.17 176.02 3hig s PHE 291 N 0.40 2.96 0.40 4.23 0.08 -1.26 -4.96 117.98 119.83 3hig s PHE 291 Ca -0.03 1.54 0.11 0.00 0.12 0.00 0.00 56.93 58.67 3hig s PHE 291 Cb -0.05 -3.06 0.83 0.00 -0.57 0.00 0.00 43.02 40.17 3hig s PHE 291 CO -0.01 -1.04 1.92 -1.00 -0.10 0.00 0.00 175.22 174.99 3hig h PRO 292 N 1.00 0.15 -4.45 0.24 0.13 -2.07 -3.38 132.00 123.63 3hig h PRO 292 Ca -0.48 -0.04 -0.72 0.00 -0.87 0.00 0.00 66.00 63.89 3hig h PRO 292 Cb 1.22 -0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 3hig h PRO 292 CO 0.58 0.33 -0.44 -1.12 -0.23 0.00 0.00 178.00 177.12 3hig s SER 293 N -6.92 5.80 0.18 1.44 0.01 -1.26 -5.07 113.70 107.88 3hig s SER 293 Ca -0.05 -1.32 -0.32 0.00 1.31 0.00 0.00 55.95 55.58 3hig s SER 293 Cb 0.15 -2.05 -0.11 0.00 0.21 0.00 0.00 66.02 64.23 3hig s SER 293 CO 0.72 -0.52 1.67 -2.84 0.41 0.00 0.00 173.24 172.67 3hig s PRO 294 N 1.52 4.17 -0.39 12.44 0.02 -1.26 -4.99 135.00 146.50 3hig s PRO 294 Ca 0.03 2.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.48 3hig s PRO 294 Cb -0.22 -3.17 0.08 0.00 0.02 0.00 0.00 34.50 31.20 3hig s PRO 294 CO 0.05 -0.70 0.19 0.42 -0.33 0.00 0.00 177.00 176.63 3hig s ILE 295 N 1.36 3.81 -0.61 2.83 1.01 -1.26 -4.97 121.20 123.37 3hig s ILE 295 Ca 0.73 -1.50 0.17 0.00 0.00 0.00 0.00 60.65 60.05 3hig s ILE 295 Cb -0.47 -3.35 -0.21 0.00 0.01 0.00 0.00 42.46 38.45 3hig s ILE 295 CO 0.32 -0.45 0.65 1.41 0.00 0.00 0.00 174.94 176.87 3hig n HIS 296 N 4.80 0.00 -4.24 3.97 8.25 -1.26 -5.01 115.22 121.73 3hig n HIS 296 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 3hig n HIS 296 Cb 0.43 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.80 3.02 0.52 1.59 -7.23 -1.26 -5.11 120.40 109.13 3hig s VAL 297 Ca 0.03 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 3hig s VAL 297 Cb 0.13 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 3hig s VAL 297 CO 0.72 -0.25 1.16 -0.94 -0.31 0.00 0.00 175.10 175.49 3hig s SER 298 N -3.75 5.81 1.09 4.85 1.04 -1.26 -5.04 113.70 116.44 3hig s SER 298 Ca 0.35 2.28 -0.18 0.00 0.48 0.00 0.00 55.95 58.87 3hig s SER 298 Cb -0.03 -2.59 0.26 0.00 0.10 0.00 0.00 66.02 63.75 3hig s SER 298 CO 0.21 -1.16 1.27 -0.83 0.98 0.00 0.00 173.24 173.71 3hig s GLY 299 N -1.55 1.75 0.69 7.32 0.00 -1.26 -5.02 107.32 109.24 3hig s GLY 299 Ca 0.70 -1.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 3hig s GLY 299 CO 0.32 -0.37 1.15 2.56 0.00 0.00 0.00 173.10 176.75 3hig s PRO 300 N -5.81 2.53 0.07 2.90 0.04 -1.26 -5.04 135.00 128.43 3hig s PRO 300 Ca 0.75 1.55 0.01 0.00 0.04 0.00 0.00 61.00 63.36 3hig s PRO 300 Cb -0.04 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3hig s PRO 300 CO 0.55 -1.49 -0.06 1.03 0.04 0.00 0.00 177.00 177.06 3hig s ARG 301 N -3.99 0.68 0.33 4.56 0.52 -1.26 -5.14 118.95 114.65 3hig s ARG 301 Ca 0.70 -1.11 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 3hig s ARG 301 Cb -0.24 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 34.98 3hig s ARG 301 CO 0.43 -0.01 1.16 -0.51 0.02 0.00 0.00 175.30 176.38 3hig s LEU 302 N -2.52 4.40 0.10 2.53 1.02 -1.26 -5.07 118.68 117.88 3hig s LEU 302 Ca 0.03 2.37 0.09 0.00 0.02 0.00 0.00 54.13 56.65 3hig s LEU 302 Cb 0.01 -3.77 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 3hig s LEU 302 CO -0.04 -0.40 -0.23 0.68 0.02 0.00 0.00 176.35 176.39 3hig s VAL 303 N -1.25 1.90 -0.42 -1.59 -7.23 -1.26 -4.76 120.40 105.78 3hig s VAL 303 Ca 0.50 -1.55 0.10 0.00 -1.81 0.00 0.00 61.98 59.22 3hig s VAL 303 Cb -0.33 -1.69 0.32 0.00 0.56 0.00 0.00 36.38 35.24 3hig s VAL 303 CO 0.42 0.05 0.71 1.67 -0.31 0.00 0.00 175.10 177.64 3hig n GLN 304 N 1.19 1.31 0.26 4.82 7.27 -1.26 -4.98 117.38 125.99 3hig n GLN 304 Ca -0.19 -3.62 0.09 0.00 0.07 0.00 0.00 57.00 53.35 3hig n GLN 304 Cb 0.53 -1.68 0.66 0.00 2.41 0.00 0.00 30.24 32.16 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 3.34 0.00 -0.00 3.69 0.13 -1.88 -0.46 132.00 136.81 3hig h PRO 305 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3hig h PRO 305 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3hig h PRO 305 CO 0.55 0.03 -0.11 0.72 -0.23 0.00 0.00 178.00 178.97 3hig n HIS 306 N -4.39 0.00 -0.73 1.56 8.25 -1.26 -4.99 115.22 113.66 3hig n HIS 306 Ca -0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.45 3hig n HIS 306 Cb 0.12 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 1.28 -2.19 3.77 -1.41 0.00 -0.19 -4.90 105.19 101.56 3hig n GLY 307 Ca 0.14 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3hig n GLY 307 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hig s PRO 308 N -0.99 4.04 0.00 1.61 0.02 -1.26 -4.92 135.00 133.50 3hig s PRO 308 Ca 0.00 2.45 0.24 0.00 0.02 0.00 0.00 61.00 63.72 3hig s PRO 308 Cb 0.00 -2.90 0.35 0.00 0.02 0.00 0.00 34.50 31.97 3hig s PRO 308 CO 0.00 -0.54 1.31 0.54 -0.33 0.00 0.00 177.00 177.98 3hig n ARG 309 N 0.34 0.97 -3.46 5.54 1.74 -1.26 -4.88 116.66 115.64 3hig n ARG 309 Ca 0.02 -0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 56.14 3hig n ARG 309 Cb 0.40 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.52 3.49 -0.35 -1.55 -0.12 -1.26 -4.67 117.98 110.99 3hig s PHE 310 Ca 0.21 0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 57.45 3hig s PHE 310 Cb 0.19 -1.93 0.06 0.00 -0.63 0.00 0.00 43.02 40.71 3hig s PHE 310 CO 0.56 0.20 0.12 1.03 -0.05 0.00 0.00 175.22 177.08 3hig s ARG 311 N -3.87 2.46 -0.21 1.99 0.52 0.10 -4.97 118.95 114.97 3hig s ARG 311 Ca 0.40 -1.35 -0.07 0.00 -0.52 0.00 0.00 55.73 54.19 3hig s ARG 311 Cb -0.10 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 3hig s ARG 311 CO 0.33 -0.77 0.05 -1.17 0.02 0.00 0.00 175.30 173.76 3hig s LEU 312 N 1.32 3.52 -0.16 2.53 2.96 -1.26 -1.05 118.68 126.54 3hig s LEU 312 Ca -0.00 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3hig s LEU 312 Cb -0.21 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.65 3hig s LEU 312 CO 0.00 0.07 0.22 -0.70 -1.32 0.00 0.00 176.35 174.62 3hig s GLU 313 N 1.01 0.15 7.95 1.98 2.12 -0.48 -5.02 118.70 126.42 3hig s GLU 313 Ca 0.03 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.78 3hig s GLU 313 Cb -0.14 -0.71 0.00 0.00 0.26 0.00 0.00 34.13 33.54 3hig s GLU 313 CO 0.03 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 3hig n GLY 314 N 5.33 3.95 1.25 -1.50 0.00 -1.26 -1.48 105.19 111.48 3hig n GLY 314 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 7.70 4.09 -4.64 1.61 6.94 -1.26 -4.96 115.26 124.73 3hig n ASN 315 Ca 0.00 -3.15 -0.35 0.00 -0.02 0.00 0.00 54.58 51.06 3hig n ASN 315 Cb 0.00 -0.61 -0.10 0.00 -2.36 0.00 0.00 39.78 36.71 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 -2.91 3.24 -0.04 -2.53 0.00 -0.55 -1.36 121.76 117.60 3hig s ALA 316 Ca 0.46 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.66 3hig s ALA 316 Cb 0.38 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 3hig s ALA 316 CO 0.09 0.49 -0.16 0.08 0.00 0.00 0.00 175.76 176.26 3hig s VAL 317 N -0.55 1.33 -0.09 0.00 1.01 0.48 -1.38 120.40 121.20 3hig s VAL 317 Ca 0.09 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.46 3hig s VAL 317 Cb -0.12 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 3hig s VAL 317 CO 0.02 0.39 -0.24 -0.76 0.00 0.00 0.00 175.10 174.51 3hig s LEU 318 N 0.08 2.07 -0.30 3.92 1.43 -0.21 -1.45 118.68 124.23 3hig s LEU 318 Ca -0.04 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3hig s LEU 318 Cb -0.11 -1.38 0.15 0.00 0.03 0.00 0.00 46.19 44.88 3hig s LEU 318 CO 0.02 0.18 0.37 -0.47 0.23 0.00 0.00 176.35 176.69 3hig s TYR 319 N 0.18 -0.78 0.00 0.29 5.04 -0.81 0.01 117.35 121.28 3hig s TYR 319 Ca -0.14 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 3hig s TYR 319 Cb -0.17 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 41.87 3hig s TYR 319 CO 0.07 -0.97 0.00 0.41 -1.34 0.00 0.00 175.55 173.72 3hig n GLY 320 N 5.21 2.89 0.24 8.97 0.00 -1.26 -0.66 105.19 120.58 3hig n GLY 320 Ca 0.01 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3hig n GLY 320 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hig h GLY 321 N 0.00 0.00 -2.73 -0.02 0.00 -1.94 -3.47 103.07 94.90 3hig h GLY 321 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3hig h GLY 321 CO 0.00 0.00 0.26 -0.98 0.00 0.00 0.00 176.54 175.82 3hig s TRP 322 N -3.73 3.48 -0.10 5.60 0.52 0.16 -1.07 118.94 123.80 3hig s TRP 322 Ca 0.00 1.55 -0.05 0.00 0.02 0.00 0.00 56.10 57.63 3hig s TRP 322 Cb 0.10 -2.78 0.05 0.00 -1.15 0.00 0.00 33.47 29.69 3hig s TRP 322 CO 0.61 0.09 0.22 0.45 0.02 0.00 0.00 176.95 178.34 3hig s SER 323 N -1.96 -0.14 0.22 2.95 0.15 -0.49 -1.93 113.70 112.51 3hig s SER 323 Ca 0.54 0.48 -0.19 0.00 0.70 0.00 0.00 55.95 57.48 3hig s SER 323 Cb -0.13 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3hig s SER 323 CO 0.18 -0.17 0.60 0.72 1.20 0.00 0.00 173.24 175.77 3hig s PHE 324 N 1.38 -0.16 0.23 3.44 -0.12 -0.53 -0.12 117.98 122.11 3hig s PHE 324 Ca -0.08 -0.20 0.12 0.00 -0.05 0.00 0.00 56.93 56.72 3hig s PHE 324 Cb -0.11 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 3hig s PHE 324 CO -0.08 -1.02 -0.22 0.00 -0.05 0.00 0.00 175.22 173.85 3hig s ALA 325 N -3.88 2.60 0.10 1.99 0.00 -0.23 -0.39 121.76 121.95 3hig s ALA 325 Ca 0.10 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.31 3hig s ALA 325 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3hig s ALA 325 CO -0.00 0.35 -0.03 -0.59 0.00 0.00 0.00 175.76 175.49 3hig s PHE 326 N -2.10 0.80 0.11 0.00 -0.12 -0.47 0.04 117.98 116.24 3hig s PHE 326 Ca 0.25 -1.03 -0.13 0.00 -0.05 0.00 0.00 56.93 55.97 3hig s PHE 326 Cb -0.06 -0.49 0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3hig s PHE 326 CO 0.12 -0.30 0.31 -0.98 -0.05 0.00 0.00 175.22 174.33 3hig s ARG 327 N -3.91 0.98 -0.36 1.99 1.70 -0.42 -4.70 118.95 114.23 3hig s ARG 327 Ca 0.14 -0.82 0.02 0.00 -0.47 0.00 0.00 55.73 54.59 3hig s ARG 327 Cb 0.07 0.42 0.10 0.00 -0.57 0.00 0.00 34.95 34.97 3hig s ARG 327 CO -0.04 -0.36 0.09 -1.17 -1.08 0.00 0.00 175.30 172.74 3hig s LEU 328 N -2.83 4.90 -0.12 -1.89 2.96 -1.26 -1.15 118.68 119.28 3hig s LEU 328 Ca 0.04 -2.13 -0.29 0.00 -0.22 0.00 0.00 54.13 51.53 3hig s LEU 328 Cb 0.03 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3hig s LEU 328 CO -0.11 -0.42 1.23 -0.60 -1.32 0.00 0.00 176.35 175.13 3hig s ARG 329 N 0.96 4.28 0.35 1.98 3.52 -0.54 -4.92 118.95 124.57 3hig s ARG 329 Ca 0.10 1.66 0.06 0.00 -0.13 0.00 0.00 55.73 57.42 3hig s ARG 329 Cb -0.20 -3.68 0.72 0.00 -1.56 0.00 0.00 34.95 30.23 3hig s ARG 329 CO -0.07 -0.60 1.91 0.77 -0.81 0.00 0.00 175.30 176.51 3hig h SER 330 N 7.88 0.72 0.27 -2.12 0.02 -1.87 0.13 113.55 118.58 3hig h SER 330 Ca -0.29 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3hig h SER 330 Cb 1.13 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3hig h SER 330 CO 0.93 0.43 -0.13 0.77 -1.14 0.00 0.00 176.83 177.69 3hig h SER 331 N 0.80 -0.31 0.00 3.07 4.64 -1.90 -2.04 113.55 117.80 3hig h SER 331 Ca 0.38 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hig h SER 331 Cb 0.41 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3hig h SER 331 CO -0.15 0.16 -1.26 -1.54 -0.87 0.00 0.00 176.83 173.17 3hig n SER 332 N -5.04 2.33 0.00 4.97 3.41 -1.10 -2.28 113.62 115.91 3hig n SER 332 Ca -0.08 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3hig n SER 332 Cb 0.26 1.36 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 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 1.81 -0.15 3.76 5.00 0.00 0.44 -4.49 105.19 111.55 3hig n GLY 333 Ca -0.01 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 4.52 0.01 0.99 2.96 -1.26 -1.47 118.68 124.43 3hig s LEU 334 Ca 0.00 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.25 3hig s LEU 334 Cb 0.00 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 3hig s LEU 334 CO 0.00 -0.24 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.65 3hig s GLN 335 N -1.30 0.28 -0.04 1.98 -0.21 -0.30 -2.61 119.66 117.46 3hig s GLN 335 Ca 0.46 -0.38 0.04 0.00 0.02 0.00 0.00 55.36 55.51 3hig s GLN 335 Cb -0.33 -0.09 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 3hig s GLN 335 CO 0.42 0.01 -0.15 0.14 -2.12 0.00 0.00 175.29 173.60 3hig s VAL 336 N -0.76 2.99 0.11 1.09 -7.23 -0.43 -1.30 120.40 114.87 3hig s VAL 336 Ca -0.07 -0.78 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 3hig s VAL 336 Cb -0.06 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3hig s VAL 336 CO -0.00 0.57 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.47 3hig s LEU 337 N -0.80 2.40 -1.37 1.32 1.43 0.11 -1.08 118.68 120.69 3hig s LEU 337 Ca 0.12 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3hig s LEU 337 Cb -0.11 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.66 3hig s LEU 337 CO 0.01 -0.19 0.57 -3.20 0.23 0.00 0.00 176.35 173.77 3hig n ASN 338 N 0.57 -0.83 -4.67 2.29 5.15 -0.15 -1.07 115.26 116.56 3hig n ASN 338 Ca -0.16 -0.91 -0.43 0.00 -0.60 0.00 0.00 54.58 52.48 3hig n ASN 338 Cb 0.57 -3.54 -0.02 0.00 -0.53 0.00 0.00 39.78 36.26 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 -3.80 4.65 0.12 3.44 1.01 0.72 -4.34 120.40 122.19 3hig s VAL 339 Ca 0.03 1.97 0.10 0.00 0.00 0.00 0.00 61.98 64.08 3hig s VAL 339 Cb -0.01 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3hig s VAL 339 CO 0.85 -0.13 -0.24 -1.00 0.00 0.00 0.00 175.10 174.58 3hig s HIS 340 N 2.92 2.38 -0.05 5.22 3.76 0.84 -0.64 115.29 129.71 3hig s HIS 340 Ca 0.46 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.04 3hig s HIS 340 Cb -0.17 -1.29 0.02 0.00 1.11 0.00 0.00 32.58 32.25 3hig s HIS 340 CO 0.10 0.33 -0.06 0.12 -0.85 0.00 0.00 174.74 174.39 3hig s PHE 341 N -1.06 0.88 -1.31 1.40 5.36 -0.49 -1.39 117.98 121.37 3hig s PHE 341 Ca 0.15 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 3hig s PHE 341 Cb -0.10 -0.75 0.00 0.00 -0.34 0.00 0.00 43.02 41.83 3hig s PHE 341 CO 0.07 -0.21 0.00 0.41 -1.46 0.00 0.00 175.22 174.02 3hig n GLY 342 N 4.05 0.54 2.20 13.12 0.00 -0.23 -2.45 105.19 122.41 3hig n GLY 342 Ca -0.24 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.14 0.72 3.38 -0.02 0.00 -1.26 -5.05 105.19 101.83 3hig n GLY 343 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.10 2.32 0.28 1.61 2.02 -1.02 -5.07 118.70 118.74 3hig s GLU 344 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 3hig s GLU 344 Cb 0.00 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.94 3hig s GLU 344 CO 0.00 0.57 1.25 0.50 0.02 0.00 0.00 175.26 177.60 3hig s ARG 345 N -0.61 4.44 -0.05 1.61 3.52 -1.26 -1.40 118.95 125.20 3hig s ARG 345 Ca 0.09 2.07 0.02 0.00 -0.13 0.00 0.00 55.73 57.78 3hig s ARG 345 Cb -0.11 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 3hig s ARG 345 CO 0.00 -0.10 -0.02 0.44 -0.81 0.00 0.00 175.30 174.81 3hig n ILE 346 N 1.41 0.33 -3.72 4.11 -5.35 0.18 -0.62 119.36 115.70 3hig n ILE 346 Ca 0.01 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 3hig n ILE 346 Cb 0.43 -0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 37.40 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 -2.12 -0.56 0.16 -1.28 0.00 -1.12 -1.49 121.76 115.36 3hig s ALA 347 Ca -0.05 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3hig s ALA 347 Cb 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3hig s ALA 347 CO 0.17 -0.26 1.42 -0.92 0.00 0.00 0.00 175.76 176.17 3hig h TYR 348 N 7.35 0.80 -2.52 0.00 3.20 -1.17 0.21 116.97 124.84 3hig h TYR 348 Ca -0.37 -0.32 -0.09 0.00 3.14 0.00 0.00 58.73 61.09 3hig h TYR 348 Cb 1.15 -0.13 -0.24 0.00 1.54 0.00 0.00 36.73 39.04 3hig h TYR 348 CO 0.36 1.10 -0.18 -2.00 -1.64 0.00 0.00 178.16 175.80 3hig s GLU 349 N -3.83 0.52 -0.12 1.82 2.12 -1.17 -0.98 118.70 117.07 3hig s GLU 349 Ca -0.08 0.79 -0.00 0.00 0.36 0.00 0.00 54.97 56.04 3hig s GLU 349 Cb 0.10 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.67 3hig s GLU 349 CO 0.86 -0.11 -0.08 0.08 -0.54 0.00 0.00 175.26 175.47 3hig s VAL 350 N 0.85 1.09 -0.00 3.70 1.01 -0.24 -0.01 120.40 126.79 3hig s VAL 350 Ca -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3hig s VAL 350 Cb -0.05 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 3hig s VAL 350 CO -0.07 0.38 0.08 -0.94 0.00 0.00 0.00 175.10 174.55 3hig s SER 351 N 1.68 0.05 0.22 3.32 1.04 -0.00 -1.31 113.70 118.70 3hig s SER 351 Ca 0.05 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.00 3hig s SER 351 Cb -0.13 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.08 3hig s SER 351 CO -0.09 -0.25 1.33 -0.69 0.98 0.00 0.00 173.24 174.52 3hig s VAL 352 N -1.00 3.07 -0.07 5.02 1.01 -1.07 -0.53 120.40 126.83 3hig s VAL 352 Ca -0.11 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3hig s VAL 352 Cb -0.06 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3hig s VAL 352 CO 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.19 3hig n GLN 353 N 2.43 0.53 -3.51 2.72 1.13 0.24 -4.64 117.38 116.28 3hig n GLN 353 Ca 0.06 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 55.02 3hig n GLN 353 Cb 0.42 -1.14 -0.04 0.00 0.11 0.00 0.00 30.24 29.59 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 -2.14 0.95 -0.03 -1.09 2.56 -1.18 -4.47 118.70 113.30 3hig s GLU 354 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.97 54.88 3hig s GLU 354 Cb 0.02 0.44 0.03 0.00 2.00 0.00 0.00 34.13 36.63 3hig s GLU 354 CO 0.17 -0.34 0.05 0.00 -0.56 0.00 0.00 175.26 174.58 3hig s ALA 355 N -1.96 0.20 0.13 6.30 0.00 -1.26 -1.41 121.76 123.75 3hig s ALA 355 Ca -0.04 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.20 3hig s ALA 355 Cb -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3hig s ALA 355 CO 0.01 -0.36 -0.15 0.14 0.00 0.00 0.00 175.76 175.40 3hig s VAL 356 N 1.80 1.39 -0.13 0.00 -7.23 0.14 -1.31 120.40 115.07 3hig s VAL 356 Ca 0.00 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3hig s VAL 356 Cb -0.12 -1.56 0.04 0.00 0.56 0.00 0.00 36.38 35.30 3hig s VAL 356 CO -0.03 -0.39 0.01 0.00 -0.31 0.00 0.00 175.10 174.38 3hig s ALA 357 N -2.08 0.85 -0.24 1.32 0.00 -0.63 -1.04 121.76 119.94 3hig s ALA 357 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 3hig s ALA 357 Cb -0.05 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.14 3hig s ALA 357 CO 0.03 -0.77 -0.04 -0.51 0.00 0.00 0.00 175.76 174.47 3hig s LEU 358 N 1.91 3.13 0.26 0.00 1.43 -0.61 -1.21 118.68 123.60 3hig s LEU 358 Ca 0.02 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3hig s LEU 358 Cb -0.14 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3hig s LEU 358 CO -0.07 -0.10 0.15 -0.31 0.23 0.00 0.00 176.35 176.26 3hig s TYR 359 N 1.39 2.98 0.29 0.29 2.02 -0.64 -1.85 117.35 121.83 3hig s TYR 359 Ca 0.02 -0.16 0.10 0.00 -0.37 0.00 0.00 57.07 56.66 3hig s TYR 359 Cb -0.16 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 3hig s TYR 359 CO -0.04 0.52 -0.14 0.20 -1.57 0.00 0.00 175.55 174.52 3hig s GLY 360 N -3.81 1.89 -0.04 0.71 0.00 -0.89 -4.75 107.32 100.43 3hig s GLY 360 Ca 0.33 -1.91 -0.30 0.00 0.00 0.00 0.00 44.72 42.85 3hig s GLY 360 CO 0.24 -1.94 0.93 -0.32 0.00 0.00 0.00 173.10 172.01 3hig s GLY 361 N -3.50 -0.42 0.16 0.20 0.00 -1.25 -4.31 107.32 98.20 3hig s GLY 361 Ca 0.29 1.21 0.12 0.00 0.00 0.00 0.00 44.72 46.34 3hig s GLY 361 CO 0.14 0.45 1.23 1.12 0.00 0.00 0.00 173.10 176.04 3hig h HIS 362 N 2.08 0.00 -3.20 1.90 2.07 -1.86 -3.37 115.15 112.77 3hig h HIS 362 Ca -0.20 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 56.81 3hig h HIS 362 Cb 1.22 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.20 3hig h HIS 362 CO 0.26 0.73 -0.11 0.95 -3.07 0.00 0.00 177.93 176.69 3hig s THR 363 N -2.84 5.01 0.28 6.12 -4.23 -1.26 -4.95 115.64 113.78 3hig s THR 363 Ca 0.01 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 3hig s THR 363 Cb 0.09 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.36 3hig s THR 363 CO 0.79 -0.43 1.89 1.55 -0.54 0.00 0.00 174.62 177.87 3hig h PRO 364 N 1.34 1.02 -0.35 3.99 0.13 -1.98 0.44 132.00 136.59 3hig h PRO 364 Ca -0.48 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 3hig h PRO 364 Cb 1.20 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3hig h PRO 364 CO 0.65 0.77 0.18 0.00 -0.23 0.00 0.00 178.00 179.38 3hig h ALA 365 N 1.38 0.45 -0.51 -0.56 0.00 -1.95 -1.39 119.26 116.68 3hig h ALA 365 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hig h ALA 365 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hig h ALA 365 CO -0.04 -0.01 0.31 0.78 0.00 0.00 0.00 179.25 180.29 3hig h GLY 366 N 0.44 0.74 2.00 0.00 0.00 -1.75 -2.45 103.07 102.05 3hig h GLY 366 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hig h GLY 366 CO -0.02 0.30 0.00 1.15 0.00 0.00 0.00 176.54 177.97 3hig n MET 367 N -4.68 0.20 0.09 4.80 0.00 0.09 -2.79 117.12 114.82 3hig n MET 367 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 57.70 58.01 3hig n MET 367 Cb 0.06 -1.79 -0.03 0.00 0.00 0.00 0.00 33.22 31.45 3hig n MET 367 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3hig h GLN 368 N 0.00 0.00 -6.31 3.17 5.75 -0.79 -3.46 115.11 113.47 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 0.54 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.05 3hig h GLN 368 CO 0.00 0.48 1.03 0.99 -2.65 0.00 0.00 178.83 178.68 3hig s THR 369 N -2.91 3.95 -0.36 2.39 2.01 -1.04 -4.02 115.64 115.66 3hig s THR 369 Ca 0.01 1.08 -0.00 0.00 0.31 0.00 0.00 61.69 63.09 3hig s THR 369 Cb 0.08 -3.94 0.13 0.00 0.01 0.00 0.00 72.50 68.78 3hig s THR 369 CO 0.78 -0.36 0.20 -0.54 -0.69 0.00 0.00 174.62 174.00 3hig s LYS 370 N 4.32 0.65 -0.02 4.92 1.02 -0.32 -1.62 119.74 128.69 3hig s LYS 370 Ca 0.63 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 3hig s LYS 370 Cb -0.21 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 3hig s LYS 370 CO 0.25 -1.16 0.93 0.71 -0.92 0.00 0.00 175.35 175.16 3hig s TYR 371 N 1.11 3.64 -0.29 3.18 2.02 -0.35 -3.99 117.35 122.67 3hig s TYR 371 Ca 0.16 1.62 0.01 0.00 -0.37 0.00 0.00 57.07 58.49 3hig s TYR 371 Cb -0.22 -3.07 0.07 0.00 -0.40 0.00 0.00 41.96 38.34 3hig s TYR 371 CO -0.06 -0.00 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.38 3hig s LEU 372 N 1.01 3.88 0.44 -1.29 1.02 -1.26 -1.60 118.68 120.88 3hig s LEU 372 Ca 0.49 -1.50 0.24 0.00 0.02 0.00 0.00 54.13 53.39 3hig s LEU 372 Cb -0.20 -1.63 0.91 0.00 0.02 0.00 0.00 46.19 45.28 3hig s LEU 372 CO 0.26 -0.26 1.82 0.44 0.02 0.00 0.00 176.35 178.63 3hig h ASP 373 N 7.84 0.00 0.22 2.29 5.19 -1.60 -2.12 116.42 128.23 3hig h ASP 373 Ca -0.17 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 3hig h ASP 373 Cb 1.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 3hig h ASP 373 CO 0.50 0.22 -0.11 0.58 -3.12 0.00 0.00 179.24 177.32 3hig h VAL 374 N 0.00 0.71 0.00 -1.35 2.07 -1.83 0.04 116.25 115.89 3hig h VAL 374 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hig h VAL 374 Cb 0.76 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hig h VAL 374 CO 0.03 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.33 3hig n GLY 375 N -0.94 -0.60 0.00 2.17 0.00 -0.80 -2.68 105.19 102.34 3hig n GLY 375 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.20 0.00 -1.88 1.61 7.02 -0.01 -4.66 117.44 118.31 3hig n TRP 376 Ca 0.07 -0.41 -0.03 0.00 -1.02 0.00 0.00 57.50 56.11 3hig n TRP 376 Cb 0.08 -0.04 0.01 0.00 -2.42 0.00 0.00 31.31 28.94 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 -0.41 0.47 0.38 6.99 0.00 -1.09 -4.89 105.19 106.65 3hig n GLY 377 Ca 0.00 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.23 0.54 -0.42 0.99 5.85 -1.31 0.14 115.31 120.86 3hig h LEU 378 Ca -0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3hig h LEU 378 Cb 1.07 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3hig h LEU 378 CO 0.09 0.24 -0.01 0.61 -0.34 0.00 0.00 178.44 179.03 3hig n GLY 379 N -1.46 -0.58 0.23 3.75 0.00 -0.82 -3.96 105.19 102.35 3hig n GLY 379 Ca 0.19 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.51 1.27 -2.38 1.61 7.64 0.47 -4.38 113.62 117.33 3hig n SER 380 Ca 0.21 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.63 3hig n SER 380 Cb 0.23 0.63 0.05 0.00 -1.01 0.00 0.00 64.21 64.11 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 -0.50 3.29 -2.48 0.44 0.24 -1.16 -4.86 118.33 113.30 3hig n VAL 381 Ca 0.05 -3.63 -0.43 0.00 -2.04 0.00 0.00 64.34 58.29 3hig n VAL 381 Cb 0.28 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 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 -0.77 4.15 -1.88 3.34 -2.24 -1.25 -1.54 114.28 114.09 3hig n THR 382 Ca 0.55 -4.29 -0.29 0.00 -2.27 0.00 0.00 64.05 57.75 3hig n THR 382 Cb 0.65 -2.42 0.09 0.00 -2.10 0.00 0.00 70.33 66.54 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 1.57 2.97 0.10 4.78 3.76 -1.26 -4.42 115.29 122.78 3hig s HIS 383 Ca 0.43 0.79 -0.31 0.00 -0.15 0.00 0.00 55.06 55.82 3hig s HIS 383 Cb 0.06 -3.45 -0.09 0.00 1.11 0.00 0.00 32.58 30.21 3hig s HIS 383 CO -0.00 -1.75 1.62 -2.00 -0.85 0.00 0.00 174.74 171.77 3hig s GLU 384 N -5.54 4.20 -0.04 1.40 2.12 -1.26 -4.63 118.70 114.96 3hig s GLU 384 Ca 0.62 2.33 -0.29 0.00 0.36 0.00 0.00 54.97 57.99 3hig s GLU 384 Cb -0.11 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3hig s GLU 384 CO 0.50 -0.69 0.96 -0.51 -0.54 0.00 0.00 175.26 174.98 3hig s LEU 385 N 2.20 4.32 -0.35 2.70 1.43 -0.59 -5.02 118.68 123.37 3hig s LEU 385 Ca 0.73 1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 55.18 3hig s LEU 385 Cb -0.41 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.29 3hig s LEU 385 CO 0.32 -0.31 0.70 0.00 0.23 0.00 0.00 176.35 177.29 3hig s ALA 386 N 1.32 3.47 0.22 4.21 0.00 -1.26 -4.92 121.76 124.80 3hig s ALA 386 Ca 0.49 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 3hig s ALA 386 Cb -0.20 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 3hig s ALA 386 CO 0.24 -1.33 1.58 -2.14 0.00 0.00 0.00 175.76 174.11 3hig s PRO 387 N 2.84 4.18 0.00 0.00 0.02 -1.26 -0.90 135.00 139.88 3hig s PRO 387 Ca 0.27 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3hig s PRO 387 Cb -0.14 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3hig s PRO 387 CO 0.15 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 3hig n GLY 388 N 3.10 1.63 1.16 0.52 0.00 0.85 -4.80 105.19 107.65 3hig n GLY 388 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.09 0.08 -0.61 5.41 -0.63 -4.80 119.36 117.90 3hig n ILE 389 Ca 0.00 0.36 -0.21 0.00 1.00 0.00 0.00 62.75 63.91 3hig n ILE 389 Cb 0.00 -1.47 -0.12 0.00 -0.71 0.00 0.00 39.64 37.35 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 0.00 0.82 -3.89 4.38 3.32 -1.34 -3.46 116.42 116.26 3hig h ASP 390 Ca 0.00 -0.74 -0.35 0.00 0.02 0.00 0.00 57.03 55.96 3hig h ASP 390 Cb 0.00 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 39.15 3hig h ASP 390 CO 0.00 1.55 -0.70 0.00 -1.72 0.00 0.00 179.24 178.37 3hig n PRO 392 N -0.28 0.90 0.33 0.00 -0.02 -1.26 -0.10 135.00 134.56 3hig n PRO 392 Ca -0.08 0.35 0.21 0.00 -2.02 0.00 0.00 63.50 61.96 3hig n PRO 392 Cb 0.62 -2.22 1.16 0.00 -0.02 0.00 0.00 33.50 33.04 3hig n PRO 392 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hig h GLU 393 N 0.44 0.00 -0.00 -0.52 3.07 -1.87 -1.18 114.58 114.52 3hig h GLU 393 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3hig h GLU 393 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 3hig h GLU 393 CO 0.51 0.00 -0.06 0.25 -1.40 0.00 0.00 179.01 178.31 3hig n THR 394 N -3.24 0.00 -1.50 1.13 -2.24 -1.26 -4.85 114.28 102.32 3hig n THR 394 Ca -0.03 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 3hig n THR 394 Cb 0.08 -0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.34 2.30 -0.22 6.98 0.00 -0.45 -4.95 121.76 123.08 3hig s ALA 395 Ca 0.34 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 3hig s ALA 395 Cb 0.21 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3hig s ALA 395 CO 0.44 -1.59 0.60 0.99 0.00 0.00 0.00 175.76 176.19 3hig s THR 396 N -2.47 5.03 -0.13 0.00 2.01 0.23 -4.95 115.64 115.36 3hig s THR 396 Ca 0.66 1.10 -0.06 0.00 0.31 0.00 0.00 61.69 63.70 3hig s THR 396 Cb -0.21 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3hig s THR 396 CO 0.47 0.09 0.08 -0.36 -0.69 0.00 0.00 174.62 174.22 3hig s PHE 397 N 2.10 3.38 -0.02 4.92 0.08 -1.26 -0.89 117.98 126.29 3hig s PHE 397 Ca 0.26 0.31 0.06 0.00 0.12 0.00 0.00 56.93 57.68 3hig s PHE 397 Cb -0.16 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 3hig s PHE 397 CO 0.09 0.48 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.99 3hig s LEU 398 N -0.52 2.02 0.43 -0.37 1.43 0.12 -4.91 118.68 116.88 3hig s LEU 398 Ca 0.11 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3hig s LEU 398 Cb -0.12 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 3hig s LEU 398 CO 0.02 0.23 0.72 -1.81 0.23 0.00 0.00 176.35 175.74 3hig s ASP 399 N -0.35 6.30 0.29 2.29 1.01 -1.26 -0.34 116.67 124.61 3hig s ASP 399 Ca 0.05 0.83 -0.03 0.00 0.71 0.00 0.00 52.55 54.11 3hig s ASP 399 Cb -0.09 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 3hig s ASP 399 CO 0.00 -0.48 0.37 0.28 0.21 0.00 0.00 175.17 175.55 3hig s THR 400 N -2.57 0.00 -0.03 -1.27 -1.32 -0.53 -4.85 115.64 105.06 3hig s THR 400 Ca 0.46 -1.72 0.07 0.00 -1.21 0.00 0.00 61.69 59.29 3hig s THR 400 Cb -0.10 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 3hig s THR 400 CO 0.41 0.00 -0.25 -0.36 -2.21 0.00 0.00 174.62 172.21 3hig s PHE 401 N -3.55 2.38 0.05 9.09 0.40 -1.26 -0.57 117.98 124.51 3hig s PHE 401 Ca 0.33 -0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 3hig s PHE 401 Cb 0.02 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 3hig s PHE 401 CO 0.17 -0.08 -0.23 -1.01 0.70 0.00 0.00 175.22 174.77 3hig s HIS 402 N -0.48 2.02 -0.45 0.36 3.76 -0.82 -4.95 115.29 114.73 3hig s HIS 402 Ca 0.06 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3hig s HIS 402 Cb -0.11 -1.20 0.12 0.00 1.11 0.00 0.00 32.58 32.50 3hig s HIS 402 CO 0.00 0.11 0.18 -0.47 -0.85 0.00 0.00 174.74 173.72 3hig s TYR 403 N -0.82 3.46 -0.18 1.40 5.04 -1.26 -1.03 117.35 123.96 3hig s TYR 403 Ca 0.09 -3.04 -0.04 0.00 -2.44 0.00 0.00 57.07 51.64 3hig s TYR 403 Cb -0.09 -2.91 0.08 0.00 0.35 0.00 0.00 41.96 39.38 3hig s TYR 403 CO 0.02 -0.84 0.16 -0.47 -1.34 0.00 0.00 175.55 173.08 3hig s TYR 404 N 0.28 -0.06 -1.18 4.97 5.04 -1.26 -2.42 117.35 122.72 3hig s TYR 404 Ca 0.14 -0.01 -0.13 0.00 -2.44 0.00 0.00 57.07 54.63 3hig s TYR 404 Cb -0.23 -0.51 -0.02 0.00 0.35 0.00 0.00 41.96 41.56 3hig s TYR 404 CO -0.04 -0.55 0.76 -3.47 -1.34 0.00 0.00 175.55 170.91 3hig n ASP 405 N 5.30 -4.25 -3.92 4.32 2.03 0.33 -5.00 116.55 115.37 3hig n ASP 405 Ca -0.06 -0.94 -0.10 0.00 0.52 0.00 0.00 54.79 54.22 3hig n ASP 405 Cb 0.49 -3.74 -0.09 0.00 -0.72 0.00 0.00 41.12 37.06 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 -3.54 -0.11 0.07 -1.67 0.00 -1.26 -4.89 121.76 110.35 3hig s ALA 406 Ca 0.34 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.92 3hig s ALA 406 Cb -0.11 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 3hig s ALA 406 CO 0.84 -0.29 1.35 -0.44 0.00 0.00 0.00 175.76 177.21 3hig h ASP 407 N 3.82 0.00 -5.35 0.00 3.32 -1.94 -3.40 116.42 112.86 3hig h ASP 407 Ca -0.32 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.59 3hig h ASP 407 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 3hig h ASP 407 CO 0.48 0.85 -0.40 -1.81 -1.72 0.00 0.00 179.24 176.63 3hig s ASP 408 N -6.65 0.09 0.28 6.45 1.01 -1.26 -4.94 116.67 111.65 3hig s ASP 408 Ca 0.02 -1.04 -0.30 0.00 0.71 0.00 0.00 52.55 51.93 3hig s ASP 408 Cb 0.10 0.42 -0.12 0.00 1.01 0.00 0.00 42.92 44.33 3hig s ASP 408 CO 0.80 -0.89 1.54 -2.65 0.21 0.00 0.00 175.17 174.18 3hig n PRO 409 N -0.23 2.53 -4.48 8.23 -0.02 -1.26 -4.86 135.00 134.92 3hig n PRO 409 Ca -0.04 0.90 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 3hig n PRO 409 Cb 0.63 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 3hig n PRO 409 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hig s VAL 410 N -0.07 3.88 -0.13 -1.45 1.01 -0.19 -3.81 120.40 119.65 3hig s VAL 410 Ca 0.65 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 3hig s VAL 410 Cb -0.53 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3hig s VAL 410 CO 0.49 0.55 0.60 -2.28 0.00 0.00 0.00 175.10 174.46 3hig s HIS 411 N -0.22 3.49 -0.34 5.22 2.46 -0.09 -1.95 115.29 123.86 3hig s HIS 411 Ca 0.04 1.01 -0.01 0.00 0.47 0.00 0.00 55.06 56.57 3hig s HIS 411 Cb -0.13 -2.71 0.07 0.00 -0.13 0.00 0.00 32.58 29.69 3hig s HIS 411 CO 0.02 0.03 0.06 0.71 -2.47 0.00 0.00 174.74 173.09 3hig s TYR 412 N 1.11 3.43 0.29 3.88 1.51 0.26 -2.53 117.35 125.30 3hig s TYR 412 Ca 0.30 -2.21 -0.29 0.00 -1.01 0.00 0.00 57.07 53.86 3hig s TYR 412 Cb -0.16 -2.54 -0.10 0.00 -0.11 0.00 0.00 41.96 39.05 3hig s TYR 412 CO 0.13 -0.88 1.13 -1.25 -1.11 0.00 0.00 175.55 173.57 3hig s PRO 413 N 1.16 4.56 -1.47 -1.71 0.05 -1.26 -1.46 135.00 134.87 3hig s PRO 413 Ca 0.01 1.86 -0.05 0.00 0.05 0.00 0.00 61.00 62.87 3hig s PRO 413 Cb -0.21 -3.14 0.04 0.00 0.05 0.00 0.00 34.50 31.25 3hig s PRO 413 CO -0.03 0.12 0.55 0.54 0.05 0.00 0.00 177.00 178.23 3hig n ARG 414 N 1.06 -3.54 0.06 4.56 1.74 -1.19 -4.12 116.66 115.23 3hig n ARG 414 Ca -0.01 0.42 -0.04 0.00 -0.77 0.00 0.00 57.85 57.46 3hig n ARG 414 Cb 0.44 -4.76 0.17 0.00 -1.02 0.00 0.00 32.46 27.29 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 0.87 0.98 -2.28 7.54 0.00 -0.80 -1.58 119.26 123.99 3hig h ALA 415 Ca -0.62 -0.44 -0.35 0.00 0.00 0.00 0.00 54.91 53.50 3hig h ALA 415 Cb 1.38 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 3hig h ALA 415 CO 0.66 0.63 -0.72 -0.51 0.00 0.00 0.00 179.25 179.31 3hig s LEU 416 N -8.29 2.52 0.04 0.00 1.02 -0.86 -4.34 118.68 108.78 3hig s LEU 416 Ca -0.05 -1.00 -0.02 0.00 0.02 0.00 0.00 54.13 53.08 3hig s LEU 416 Cb 0.13 -0.42 -0.03 0.00 0.02 0.00 0.00 46.19 45.89 3hig s LEU 416 CO 0.79 -0.29 0.01 0.00 0.02 0.00 0.00 176.35 176.88 3hig s LEU 418 N -2.39 1.26 -0.03 0.00 2.96 -0.07 -1.00 118.68 119.41 3hig s LEU 418 Ca -0.01 -0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.59 3hig s LEU 418 Cb 0.01 -0.23 0.06 0.00 0.50 0.00 0.00 46.19 46.53 3hig s LEU 418 CO -0.07 -0.08 0.58 0.72 -1.32 0.00 0.00 176.35 176.18 3hig s PHE 419 N 0.91 -0.53 -0.15 5.38 -0.12 -0.49 -0.60 117.98 122.38 3hig s PHE 419 Ca -0.09 0.87 -0.11 0.00 -0.05 0.00 0.00 56.93 57.54 3hig s PHE 419 Cb -0.13 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 3hig s PHE 419 CO -0.01 -0.56 0.22 -2.00 -0.05 0.00 0.00 175.22 172.81 3hig s GLU 420 N -1.35 4.01 0.01 1.99 2.12 -1.26 0.02 118.70 124.24 3hig s GLU 420 Ca -0.11 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.21 3hig s GLU 420 Cb -0.01 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 3hig s GLU 420 CO 0.07 0.43 -0.06 0.00 -0.54 0.00 0.00 175.26 175.16 3hig s MET 421 N -0.07 0.48 0.22 4.30 0.23 -0.29 -4.97 119.30 119.20 3hig s MET 421 Ca 0.14 -0.40 -0.30 0.00 -1.03 0.00 0.00 55.69 54.10 3hig s MET 421 Cb -0.12 -0.39 -0.10 0.00 -1.53 0.00 0.00 34.83 32.69 3hig s MET 421 CO 0.03 0.10 1.42 -2.14 -2.03 0.00 0.00 175.02 172.39 3hig s PRO 422 N -0.64 4.30 0.31 3.16 0.02 -1.26 -1.15 135.00 139.73 3hig s PRO 422 Ca -0.02 2.23 0.25 0.00 0.02 0.00 0.00 61.00 63.48 3hig s PRO 422 Cb -0.05 -3.15 0.63 0.00 0.02 0.00 0.00 34.50 31.95 3hig s PRO 422 CO 0.00 -0.40 1.71 1.79 -0.33 0.00 0.00 177.00 179.77 3hig h THR 423 N 3.69 0.00 0.00 0.99 1.35 -1.68 -3.47 112.91 113.79 3hig h THR 423 Ca -0.45 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3hig h THR 423 Cb 1.21 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3hig h THR 423 CO 0.80 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 3hig n GLY 424 N 1.17 1.29 3.04 5.82 0.00 -1.26 -5.02 105.19 110.23 3hig n GLY 424 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.49 1.00 0.63 1.61 0.11 -1.26 -5.04 120.40 113.96 3hig s VAL 425 Ca 0.00 -0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 3hig s VAL 425 Cb 0.00 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3hig s VAL 425 CO 0.00 0.31 1.28 -2.16 -3.33 0.00 0.00 175.10 171.20 3hig s PRO 426 N 0.26 2.70 0.16 1.54 0.04 -1.26 -3.39 135.00 135.05 3hig s PRO 426 Ca -0.05 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 3hig s PRO 426 Cb -0.11 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3hig s PRO 426 CO 0.01 -1.48 1.58 1.25 0.04 0.00 0.00 177.00 178.41 3hig h LEU 427 N 0.71 0.99 -7.31 -3.56 6.46 -1.37 -3.44 115.31 107.79 3hig h LEU 427 Ca -0.51 -0.35 -0.09 0.00 -0.12 0.00 0.00 57.88 56.80 3hig h LEU 427 Cb 1.33 -0.27 -0.20 0.00 -0.73 0.00 0.00 40.66 40.79 3hig h LEU 427 CO 0.54 1.11 -0.09 0.00 -0.62 0.00 0.00 178.44 179.38 3hig s ARG 428 N -4.84 0.82 -0.01 1.25 1.70 -1.25 -5.03 118.95 111.59 3hig s ARG 428 Ca -0.12 0.00 -0.24 0.00 -0.47 0.00 0.00 55.73 54.91 3hig s ARG 428 Cb 0.12 0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.93 3hig s ARG 428 CO 0.86 -0.24 0.53 -0.98 -1.08 0.00 0.00 175.30 174.39 3hig s ARG 429 N -1.24 0.96 -0.17 3.89 1.04 -1.26 -1.58 118.95 120.59 3hig s ARG 429 Ca -0.12 -0.03 -0.11 0.00 -1.04 0.00 0.00 55.73 54.43 3hig s ARG 429 Cb -0.03 0.44 0.05 0.00 -2.04 0.00 0.00 34.95 33.37 3hig s ARG 429 CO 0.06 -0.31 0.42 -1.58 -0.04 0.00 0.00 175.30 173.85 3hig s HIS 430 N -1.68 -0.57 -0.38 5.89 2.46 0.05 -4.99 115.29 116.07 3hig s HIS 430 Ca -0.10 1.26 -0.13 0.00 0.47 0.00 0.00 55.06 56.56 3hig s HIS 430 Cb -0.01 0.24 0.01 0.00 -0.13 0.00 0.00 32.58 32.69 3hig s HIS 430 CO 0.04 -0.31 0.25 0.12 -2.47 0.00 0.00 174.74 172.37 3hig s PHE 431 N 1.07 3.23 -0.88 3.88 2.19 -1.26 -1.29 117.98 124.92 3hig s PHE 431 Ca -0.07 -0.65 -0.17 0.00 0.33 0.00 0.00 56.93 56.38 3hig s PHE 431 Cb -0.07 -2.50 0.17 0.00 -1.31 0.00 0.00 43.02 39.31 3hig s PHE 431 CO -0.09 -0.56 0.95 1.21 1.83 0.00 0.00 175.22 178.56 3hig s ASN 432 N 1.64 6.68 0.50 6.13 3.84 -0.20 -5.02 114.94 128.51 3hig s ASN 432 Ca 0.04 -2.34 -0.22 0.00 0.21 0.00 0.00 52.86 50.56 3hig s ASN 432 Cb -0.19 -2.31 -0.06 0.00 -0.55 0.00 0.00 41.25 38.14 3hig s ASN 432 CO 0.09 -0.84 1.21 -0.55 -2.79 0.00 0.00 177.10 174.22 3hig s SER 433 N 2.95 5.81 0.00 -4.21 0.15 -1.26 0.18 113.70 117.31 3hig s SER 433 Ca 0.25 2.41 0.23 0.00 0.70 0.00 0.00 55.95 59.55 3hig s SER 433 Cb -0.08 -2.61 0.79 0.00 -1.71 0.00 0.00 66.02 62.42 3hig s SER 433 CO -0.09 -1.17 1.58 -0.46 1.20 0.00 0.00 173.24 174.30 3hig n ASN 434 N -0.80 1.77 -1.51 5.45 0.23 -0.47 -4.57 115.26 115.35 3hig n ASN 434 Ca 0.09 -1.68 -0.17 0.00 -0.53 0.00 0.00 54.58 52.30 3hig n ASN 434 Cb 0.48 -0.08 -0.07 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.38 -0.24 -2.43 -2.53 3.01 -1.26 -4.79 117.46 109.60 3hig n PHE 435 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3hig n PHE 435 Cb 0.36 -2.98 0.06 0.00 -0.01 0.00 0.00 39.48 36.91 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 -2.12 1.15 -0.72 -1.08 5.02 -1.26 -4.97 118.16 114.18 3hig n LYS 436 Ca -0.17 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 3hig n LYS 436 Cb 0.55 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.20 0.65 0.00 0.72 0.00 -1.26 -5.01 105.19 100.09 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 -2.68 3.96 3.27 -0.02 0.00 -1.26 -5.08 105.19 103.38 3hig n GLY 438 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.97 0.18 -0.13 1.61 -0.00 -1.26 -1.37 117.98 116.03 3hig s PHE 439 Ca 0.00 -0.58 0.10 0.00 -0.00 0.00 0.00 56.93 56.45 3hig s PHE 439 Cb 0.00 -0.01 -0.23 0.00 -0.00 0.00 0.00 43.02 42.77 3hig s PHE 439 CO 0.00 -0.62 0.31 0.09 -0.00 0.00 0.00 175.22 175.00 3hig n ASN 440 N -0.13 0.93 -3.59 1.98 3.02 0.13 -4.66 115.26 112.93 3hig n ASN 440 Ca -0.13 0.18 -0.05 0.00 -0.03 0.00 0.00 54.58 54.55 3hig n ASN 440 Cb 0.63 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.88 3hig n ASN 440 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hig s PHE 441 N -2.55 -0.17 -0.10 3.10 -0.71 -1.20 -4.33 117.98 112.02 3hig s PHE 441 Ca -0.13 0.17 -0.00 0.00 -1.04 0.00 0.00 56.93 55.93 3hig s PHE 441 Cb 0.07 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 3hig s PHE 441 CO 0.79 -0.23 -0.08 -0.47 -1.34 0.00 0.00 175.22 173.89 3hig s TYR 442 N -2.06 2.90 0.00 3.49 5.04 -0.51 -1.04 117.35 125.18 3hig s TYR 442 Ca 0.07 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.51 3hig s TYR 442 Cb -0.01 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.49 3hig s TYR 442 CO -0.05 0.09 -0.14 0.00 -1.34 0.00 0.00 175.55 174.12 3hig s ALA 443 N -0.23 1.16 -0.03 3.97 0.00 -0.41 -0.34 121.76 125.88 3hig s ALA 443 Ca 0.02 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3hig s ALA 443 Cb -0.13 -0.26 0.08 0.00 0.00 0.00 0.00 23.12 22.81 3hig s ALA 443 CO 0.03 0.26 0.72 0.20 0.00 0.00 0.00 175.76 176.97 3hig s GLY 444 N -0.57 -0.54 -0.19 0.00 0.00 -0.21 -0.77 107.32 105.05 3hig s GLY 444 Ca 0.04 1.26 0.01 0.00 0.00 0.00 0.00 44.72 46.03 3hig s GLY 444 CO 0.00 0.80 -0.13 -2.27 0.00 0.00 0.00 173.10 171.50 3hig s LEU 445 N -1.51 2.19 0.33 0.66 2.96 -0.61 -0.89 118.68 121.79 3hig s LEU 445 Ca -0.07 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 3hig s LEU 445 Cb -0.00 -1.30 -0.11 0.00 0.50 0.00 0.00 46.19 45.28 3hig s LEU 445 CO 0.04 -0.09 1.54 1.17 -1.32 0.00 0.00 176.35 177.69 3hig n LYS 446 N 4.67 2.66 -2.59 1.98 4.81 -1.26 -1.18 118.16 127.25 3hig n LYS 446 Ca -0.17 0.94 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 3hig n LYS 446 Cb 0.48 -2.70 -0.03 0.00 0.02 0.00 0.00 35.03 32.81 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 0.23 2.31 0.06 3.14 0.00 -1.22 -4.47 107.32 107.37 3hig s GLY 447 Ca 0.60 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.84 3hig s GLY 447 CO 0.55 2.02 -0.06 1.20 0.00 0.00 0.00 173.10 176.80 3hig s GLN 448 N 1.94 0.63 -0.04 2.90 -1.52 -1.26 -1.85 119.66 120.46 3hig s GLN 448 Ca 0.52 -1.02 -0.09 0.00 -1.95 0.00 0.00 55.36 52.82 3hig s GLN 448 Cb -0.22 -0.16 0.01 0.00 -0.22 0.00 0.00 33.01 32.43 3hig s GLN 448 CO 0.21 -0.01 0.21 0.54 -0.25 0.00 0.00 175.29 176.00 3hig s VAL 449 N -2.55 0.04 -0.18 1.09 0.11 -0.30 -4.41 120.40 114.20 3hig s VAL 449 Ca -0.00 -0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 58.57 3hig s VAL 449 Cb -0.02 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 3hig s VAL 449 CO -0.03 -0.20 0.22 -0.22 -3.33 0.00 0.00 175.10 171.55 3hig s LEU 450 N -0.75 4.23 -0.16 2.54 2.96 -0.43 -1.13 118.68 125.95 3hig s LEU 450 Ca -0.08 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3hig s LEU 450 Cb -0.05 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.41 3hig s LEU 450 CO 0.02 0.13 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.30 3hig s VAL 451 N 0.42 1.91 -0.26 1.68 1.01 0.10 -0.43 120.40 124.82 3hig s VAL 451 Ca 0.13 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 3hig s VAL 451 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3hig s VAL 451 CO 0.01 0.52 0.12 -0.22 0.00 0.00 0.00 175.10 175.53 3hig s LEU 452 N 1.21 3.72 0.02 3.92 2.96 0.59 -1.40 118.68 129.69 3hig s LEU 452 Ca 0.02 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3hig s LEU 452 Cb -0.14 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3hig s LEU 452 CO -0.09 -0.03 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.20 3hig s ARG 453 N 1.60 0.80 0.31 1.98 3.52 -0.17 -0.66 118.95 126.33 3hig s ARG 453 Ca 0.06 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 3hig s ARG 453 Cb -0.15 -0.76 -0.03 0.00 -1.56 0.00 0.00 34.95 32.45 3hig s ARG 453 CO 0.07 0.20 0.26 -2.37 -0.81 0.00 0.00 175.30 172.65 3hig n THR 454 N 2.32 0.00 -4.31 4.11 5.66 -0.20 -1.38 114.28 120.47 3hig n THR 454 Ca -0.16 -2.30 -0.16 0.00 -3.05 0.00 0.00 64.05 58.37 3hig n THR 454 Cb 0.56 1.15 -0.10 0.00 -1.55 0.00 0.00 70.33 70.38 3hig n THR 454 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hig s THR 455 N -3.28 0.80 -0.04 1.09 -4.23 -1.26 -0.51 115.64 108.21 3hig s THR 455 Ca 0.37 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 3hig s THR 455 Cb 0.02 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.46 3hig s THR 455 CO 0.26 -0.22 0.06 -0.94 -0.54 0.00 0.00 174.62 173.24 3hig s SER 456 N -3.29 1.07 -0.50 3.99 1.04 0.34 -3.95 113.70 112.40 3hig s SER 456 Ca 0.31 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.85 3hig s SER 456 Cb 0.07 -0.14 0.13 0.00 0.10 0.00 0.00 66.02 66.18 3hig s SER 456 CO 0.10 -0.24 0.26 -0.89 0.98 0.00 0.00 173.24 173.45 3hig s THR 457 N 2.09 2.18 0.07 2.02 2.01 -0.59 -0.48 115.64 122.93 3hig s THR 457 Ca 0.04 -3.10 -0.15 0.00 0.31 0.00 0.00 61.69 58.79 3hig s THR 457 Cb -0.12 -2.51 -0.18 0.00 0.01 0.00 0.00 72.50 69.70 3hig s THR 457 CO -0.03 -0.85 1.25 0.58 -0.69 0.00 0.00 174.62 174.88 3hig h VAL 458 N 5.35 1.31 0.00 3.82 2.07 -1.95 -3.46 116.25 123.40 3hig h VAL 458 Ca -0.04 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3hig h VAL 458 Cb 0.90 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3hig h VAL 458 CO 0.62 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.82 3hig n TYR 459 N -4.03 0.00 -0.24 1.57 9.36 -1.26 -5.11 117.16 117.45 3hig n TYR 459 Ca -0.08 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.19 3hig n TYR 459 Cb 0.72 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.71 3hig n TYR 459 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3hig n ASN 460 N -0.56 4.13 -3.35 2.98 6.94 -1.26 -4.99 115.26 119.13 3hig n ASN 460 Ca 0.00 -2.58 0.02 0.00 -0.02 0.00 0.00 54.58 52.00 3hig n ASN 460 Cb 0.00 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 36.80 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 -0.58 -1.27 -0.15 0.53 1.11 0.34 -0.38 116.67 116.28 3hig s ASP 462 Ca 0.37 1.15 -0.12 0.00 0.18 0.00 0.00 52.55 54.14 3hig s ASP 462 Cb 0.28 2.21 -0.05 0.00 1.07 0.00 0.00 42.92 46.43 3hig s ASP 462 CO 0.12 -0.24 0.25 -0.31 1.18 0.00 0.00 175.17 176.17 3hig s TYR 463 N 2.87 3.50 -0.27 4.23 2.02 0.36 -0.87 117.35 129.19 3hig s TYR 463 Ca 0.10 0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 57.29 3hig s TYR 463 Cb -0.14 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 3hig s TYR 463 CO -0.20 0.37 0.10 0.42 -1.57 0.00 0.00 175.55 174.67 3hig s ILE 464 N 0.06 4.40 -0.28 2.71 1.01 0.35 -0.50 121.20 128.95 3hig s ILE 464 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 3hig s ILE 464 Cb -0.13 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 3hig s ILE 464 CO 0.04 0.23 0.08 0.26 0.00 0.00 0.00 174.94 175.55 3hig s TRP 465 N 1.61 3.12 -0.04 3.97 0.52 0.33 -1.12 118.94 127.32 3hig s TRP 465 Ca 0.06 -0.71 0.06 0.00 0.02 0.00 0.00 56.10 55.52 3hig s TRP 465 Cb -0.16 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 29.89 3hig s TRP 465 CO 0.05 -0.48 -0.22 -0.51 0.02 0.00 0.00 176.95 175.81 3hig s ASP 466 N 1.56 3.36 -0.10 2.95 1.01 -0.62 -1.03 116.67 123.81 3hig s ASP 466 Ca 0.04 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 52.94 3hig s ASP 466 Cb -0.16 -0.64 -0.01 0.00 1.01 0.00 0.00 42.92 43.12 3hig s ASP 466 CO 0.03 0.30 -0.19 -0.36 0.21 0.00 0.00 175.17 175.17 3hig s PHE 467 N -0.51 2.65 -0.03 4.23 0.40 0.17 -1.71 117.98 123.18 3hig s PHE 467 Ca 0.07 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 3hig s PHE 467 Cb -0.11 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 3hig s PHE 467 CO 0.01 -0.22 -0.17 0.42 0.70 0.00 0.00 175.22 175.96 3hig s ILE 468 N 0.09 1.39 -0.16 0.64 1.01 0.05 -0.30 121.20 123.92 3hig s ILE 468 Ca -0.09 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 3hig s ILE 468 Cb -0.15 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.18 3hig s ILE 468 CO 0.05 0.40 -0.07 -0.36 0.00 0.00 0.00 174.94 174.96 3hig s PHE 469 N -0.20 1.79 0.18 3.97 0.40 0.42 -0.71 117.98 123.83 3hig s PHE 469 Ca 0.02 -1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 55.20 3hig s PHE 469 Cb -0.09 -1.36 -0.06 0.00 0.51 0.00 0.00 43.02 42.02 3hig s PHE 469 CO 0.01 -0.62 0.43 0.71 0.70 0.00 0.00 175.22 176.45 3hig s TYR 470 N 1.61 3.46 -0.18 0.36 1.51 -0.11 -1.31 117.35 122.69 3hig s TYR 470 Ca 0.02 0.62 0.26 0.00 -1.01 0.00 0.00 57.07 56.95 3hig s TYR 470 Cb -0.15 -2.06 1.25 0.00 -0.11 0.00 0.00 41.96 40.90 3hig s TYR 470 CO -0.08 0.37 1.78 -1.35 -1.11 0.00 0.00 175.55 175.16 3hig h PRO 471 N 2.62 0.00 -0.73 -1.71 0.11 -1.87 -2.82 132.00 127.59 3hig h PRO 471 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3hig h PRO 471 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3hig h PRO 471 CO 0.71 0.00 0.07 0.27 -0.21 0.00 0.00 178.00 178.84 3hig n ASN 472 N -2.40 4.47 0.00 -2.05 6.94 -1.26 -4.11 115.26 116.85 3hig n ASN 472 Ca -0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 54.58 51.77 3hig n ASN 472 Cb 0.12 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 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 0.30 0.76 3.67 4.83 0.00 -1.06 -4.64 105.19 109.05 3hig n GLY 473 Ca 0.25 0.00 -0.40 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 -2.73 5.04 0.08 1.61 1.01 -1.26 -4.32 120.40 119.83 3hig s VAL 474 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.20 3hig s VAL 474 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3hig s VAL 474 CO 0.00 0.15 0.02 -0.32 0.00 0.00 0.00 175.10 174.95 3hig s MET 475 N 1.66 2.66 0.00 2.72 1.75 -0.38 -0.93 119.30 126.79 3hig s MET 475 Ca 0.29 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.97 3hig s MET 475 Cb -0.16 -2.60 -0.01 0.00 2.84 0.00 0.00 34.83 34.90 3hig s MET 475 CO 0.11 0.55 -0.04 -2.00 -0.65 0.00 0.00 175.02 172.99 3hig s GLU 476 N -2.28 0.33 -0.06 4.11 2.12 0.11 -0.52 118.70 122.51 3hig s GLU 476 Ca 0.26 -0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.41 3hig s GLU 476 Cb -0.12 -0.29 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 3hig s GLU 476 CO 0.19 0.08 -0.11 0.00 -0.54 0.00 0.00 175.26 174.87 3hig s ALA 477 N -0.24 2.79 -0.06 6.30 0.00 0.25 -0.77 121.76 130.03 3hig s ALA 477 Ca -0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 3hig s ALA 477 Cb -0.02 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.02 3hig s ALA 477 CO -0.00 0.55 0.18 0.21 0.00 0.00 0.00 175.76 176.69 3hig s LYS 478 N -0.70 0.26 -0.06 0.00 2.20 -0.70 -1.33 119.74 119.41 3hig s LYS 478 Ca 0.11 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.92 3hig s LYS 478 Cb -0.11 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3hig s LYS 478 CO 0.01 -0.04 -0.18 1.41 -0.36 0.00 0.00 175.35 176.19 3hig s MET 479 N -0.12 2.12 -0.11 4.03 -2.45 0.04 -1.58 119.30 121.23 3hig s MET 479 Ca -0.02 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 3hig s MET 479 Cb -0.02 -1.74 -0.02 0.00 1.25 0.00 0.00 34.83 34.29 3hig s MET 479 CO 0.00 0.20 -0.12 -1.01 1.05 0.00 0.00 175.02 175.15 3hig s HIS 480 N 0.22 2.83 -0.21 4.11 0.09 -0.28 -1.94 115.29 120.11 3hig s HIS 480 Ca -0.09 -0.41 -0.11 0.00 -0.00 0.00 0.00 55.06 54.45 3hig s HIS 480 Cb -0.14 -1.79 -0.05 0.00 -0.00 0.00 0.00 32.58 30.60 3hig s HIS 480 CO 0.04 -0.04 0.17 0.00 -0.00 0.00 0.00 174.74 174.91 3hig s ALA 481 N -0.03 3.64 0.00 -1.40 0.00 -1.07 -0.49 121.76 122.41 3hig s ALA 481 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3hig s ALA 481 Cb -0.14 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3hig s ALA 481 CO 0.04 -0.00 0.00 -2.37 0.00 0.00 0.00 175.76 173.42 3hig n THR 482 N 3.86 0.00 -2.53 0.00 5.66 -0.05 -4.05 114.28 117.17 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 -1.55 3.88 1.09 0.00 -1.23 -0.50 105.19 106.88 3hig n GLY 483 Ca 0.00 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 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 3.59 0.64 1.61 1.51 0.49 -1.00 117.35 124.20 3hig s TYR 484 Ca 0.00 0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 56.45 3hig s TYR 484 Cb 0.00 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 3hig s TYR 484 CO 0.00 0.67 1.08 0.14 -1.11 0.00 0.00 175.55 176.33 3hig s VAL 485 N -1.18 3.60 -0.33 0.71 -7.23 -1.26 -4.72 120.40 109.99 3hig s VAL 485 Ca 0.22 0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 60.81 3hig s VAL 485 Cb -0.13 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.58 3hig s VAL 485 CO 0.12 -0.50 1.10 -2.28 -0.31 0.00 0.00 175.10 173.23 3hig s HIS 486 N -2.51 3.08 0.09 2.82 2.46 -1.26 -4.83 115.29 115.13 3hig s HIS 486 Ca 0.64 1.13 0.04 0.00 0.47 0.00 0.00 55.06 57.34 3hig s HIS 486 Cb -0.17 -3.77 -0.03 0.00 -0.13 0.00 0.00 32.58 28.48 3hig s HIS 486 CO 0.42 -0.91 -0.12 0.00 -2.47 0.00 0.00 174.74 171.66 3hig s ALA 487 N 3.78 1.17 0.28 1.58 0.00 -1.26 -3.76 121.76 123.55 3hig s ALA 487 Ca 0.47 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3hig s ALA 487 Cb -0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 3hig s ALA 487 CO 0.17 0.06 0.04 0.95 0.00 0.00 0.00 175.76 176.98 3hig s THR 488 N -1.94 1.05 0.19 0.00 -4.23 -0.40 -4.88 115.64 105.44 3hig s THR 488 Ca 0.03 -2.02 -0.31 0.00 -1.18 0.00 0.00 61.69 58.21 3hig s THR 488 Cb -0.06 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 71.08 3hig s THR 488 CO 0.01 -0.12 1.56 0.12 -0.54 0.00 0.00 174.62 175.65 3hig s PHE 489 N -3.40 3.02 0.06 3.99 5.36 -1.26 -0.75 117.98 125.00 3hig s PHE 489 Ca 0.34 0.68 -0.31 0.00 -0.96 0.00 0.00 56.93 56.68 3hig s PHE 489 Cb 0.07 -3.94 -0.08 0.00 -0.34 0.00 0.00 43.02 38.74 3hig s PHE 489 CO 0.13 -3.38 1.56 -0.47 -1.46 0.00 0.00 175.22 171.59 3hig s TYR 490 N 0.85 2.67 0.13 10.12 6.14 0.10 -4.63 117.35 132.74 3hig s TYR 490 Ca 0.68 0.54 0.03 0.00 0.64 0.00 0.00 57.07 58.95 3hig s TYR 490 Cb -0.44 -3.86 -0.04 0.00 0.42 0.00 0.00 41.96 38.04 3hig s TYR 490 CO 0.35 -3.32 -0.06 0.95 0.64 0.00 0.00 175.55 174.11 3hig s THR 491 N 2.29 0.85 0.34 4.34 -4.23 -1.26 -4.89 115.64 113.09 3hig s THR 491 Ca 0.70 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 3hig s THR 491 Cb -0.38 -1.86 0.33 0.00 1.34 0.00 0.00 72.50 71.94 3hig s THR 491 CO 0.30 -0.73 1.80 -0.65 -0.54 0.00 0.00 174.62 174.81 3hig h PRO 492 N 2.83 0.61 0.00 3.99 0.11 -2.02 -0.18 132.00 137.34 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 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hig h PRO 492 CO 0.64 0.41 -0.01 0.93 -0.21 0.00 0.00 178.00 179.76 3hig h GLU 493 N 0.63 0.00 0.00 1.05 3.07 -2.00 -2.57 114.58 114.77 3hig h GLU 493 Ca 0.55 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.39 3hig h GLU 493 Cb 1.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3hig h GLU 493 CO -0.32 0.01 -0.12 0.78 -1.40 0.00 0.00 179.01 177.96 3hig h GLY 494 N 0.08 0.00 2.00 -3.84 0.00 -1.40 -3.09 103.07 96.82 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 0.00 3.11 3.38 -1.61 0.11 115.31 120.30 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hig h LEU 495 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09 3hig n ARG 496 N -2.40 0.15 -0.27 1.13 1.74 -1.17 -3.99 116.66 111.85 3hig n ARG 496 Ca 0.01 0.05 0.03 0.00 -0.77 0.00 0.00 57.85 57.17 3hig n ARG 496 Cb 0.19 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.42 0.00 -3.64 -1.55 8.25 0.33 -5.04 115.22 112.16 3hig n HIS 497 Ca 0.09 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3hig n HIS 497 Cb 0.27 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.50 -1.17 2.92 -1.41 0.00 -0.97 -0.26 105.19 103.79 3hig n GLY 498 Ca 0.05 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.00 0.52 -0.09 2.61 2.01 -0.75 -4.47 115.64 112.47 3hig s THR 499 Ca 0.00 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3hig s THR 499 Cb 0.00 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3hig s THR 499 CO 0.00 0.20 1.43 -0.60 -0.69 0.00 0.00 174.62 174.96 3hig s ARG 500 N 0.59 4.23 -0.01 4.92 3.52 -1.26 -0.65 118.95 130.27 3hig s ARG 500 Ca -0.08 1.91 0.11 0.00 -0.13 0.00 0.00 55.73 57.55 3hig s ARG 500 Cb -0.11 -3.81 -0.16 0.00 -1.56 0.00 0.00 34.95 29.31 3hig s ARG 500 CO 0.00 -0.73 0.25 1.28 -0.81 0.00 0.00 175.30 175.29 3hig n LEU 501 N 6.53 0.02 0.00 -0.88 4.77 0.00 -4.79 117.00 122.66 3hig n LEU 501 Ca 0.15 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 3hig n LEU 501 Cb 0.44 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3hig n LEU 501 CO 0.59 0.01 0.28 1.57 -1.33 0.00 0.00 177.39 178.50 3hig n HIS 502 N -1.85 -1.66 -0.08 -1.77 -0.00 -1.21 -4.90 115.22 103.76 3hig n HIS 502 Ca -0.02 -1.34 -0.07 0.00 0.46 0.00 0.00 57.72 56.76 3hig n HIS 502 Cb 0.27 0.54 -0.00 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 1.66 0.50 -0.27 3.57 2.02 -2.00 -2.96 112.91 115.43 3hig h THR 503 Ca -0.21 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 3hig h THR 503 Cb 0.81 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 3hig h THR 503 CO 0.27 0.00 -0.04 1.41 0.37 0.00 0.00 175.52 177.53 3hig n HIS 504 N -5.34 0.88 -4.48 3.16 8.25 -1.26 -4.86 115.22 111.57 3hig n HIS 504 Ca 0.00 -1.22 -0.28 0.00 -0.26 0.00 0.00 57.72 55.97 3hig n HIS 504 Cb 0.25 -0.37 -0.17 0.00 1.12 0.00 0.00 29.99 30.82 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 -3.03 1.68 -0.14 2.41 2.96 -1.12 -0.72 118.68 120.73 3hig s LEU 505 Ca 0.42 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3hig s LEU 505 Cb 0.36 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 3hig s LEU 505 CO 0.04 0.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.36 3hig s ILE 506 N 0.94 3.36 -0.49 6.68 -1.09 0.07 -0.82 121.20 129.85 3hig s ILE 506 Ca -0.08 -0.55 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 3hig s ILE 506 Cb -0.15 -2.43 0.04 0.00 -1.58 0.00 0.00 42.46 38.33 3hig s ILE 506 CO -0.00 0.52 0.76 -0.83 -1.23 0.00 0.00 174.94 174.15 3hig s GLY 507 N 0.32 1.61 0.29 6.18 0.00 0.17 -1.27 107.32 114.61 3hig s GLY 507 Ca -0.08 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 3hig s GLY 507 CO 0.05 1.74 1.48 -1.31 0.00 0.00 0.00 173.10 175.05 3hig s ASN 508 N 2.42 6.54 0.46 1.64 -0.87 -1.25 -1.81 114.94 122.07 3hig s ASN 508 Ca 0.25 2.81 -0.25 0.00 -1.57 0.00 0.00 52.86 54.10 3hig s ASN 508 Cb -0.14 -2.64 -0.08 0.00 -0.02 0.00 0.00 41.25 38.37 3hig s ASN 508 CO 0.19 -0.77 1.39 0.00 -2.57 0.00 0.00 177.10 175.33 3hig n ILE 509 N 1.90 2.89 -3.76 0.60 3.06 0.64 -4.60 119.36 120.08 3hig n ILE 509 Ca 0.06 -0.50 -0.05 0.00 -2.50 0.00 0.00 62.75 59.76 3hig n ILE 509 Cb 0.39 -1.77 -0.02 0.00 0.54 0.00 0.00 39.64 38.79 3hig n ILE 509 CO 0.00 0.00 0.00 -1.38 -2.50 0.00 0.00 176.55 172.67 3hig s HIS 510 N -1.21 -0.17 -0.06 9.51 -3.43 -0.94 -2.09 115.29 116.91 3hig s HIS 510 Ca 0.62 -0.17 0.04 0.00 -0.80 0.00 0.00 55.06 54.76 3hig s HIS 510 Cb -0.46 0.65 -0.00 0.00 -1.43 0.00 0.00 32.58 31.35 3hig s HIS 510 CO 0.56 -0.94 -0.19 0.99 -2.00 0.00 0.00 174.74 173.17 3hig s THR 511 N -3.48 1.60 -0.12 -5.38 2.01 -0.77 -0.57 115.64 108.93 3hig s THR 511 Ca 0.11 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.13 3hig s THR 511 Cb -0.03 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3hig s THR 511 CO 0.03 0.46 0.55 -1.00 -0.69 0.00 0.00 174.62 173.96 3hig s HIS 512 N 0.19 3.50 -0.04 4.92 3.76 -0.07 -1.58 115.29 125.96 3hig s HIS 512 Ca -0.09 0.96 0.02 0.00 -0.15 0.00 0.00 55.06 55.81 3hig s HIS 512 Cb -0.14 -2.65 0.01 0.00 1.11 0.00 0.00 32.58 30.91 3hig s HIS 512 CO 0.04 0.08 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.41 3hig s LEU 513 N 0.91 1.65 -0.02 0.89 1.43 -0.21 -1.35 118.68 121.97 3hig s LEU 513 Ca 0.29 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3hig s LEU 513 Cb -0.16 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 3hig s LEU 513 CO 0.12 0.03 -0.20 -0.69 0.23 0.00 0.00 176.35 175.84 3hig s VAL 514 N 0.49 1.61 -0.12 -1.59 1.01 0.88 0.25 120.40 122.93 3hig s VAL 514 Ca -0.09 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3hig s VAL 514 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3hig s VAL 514 CO 0.02 0.46 -0.10 -2.28 0.00 0.00 0.00 175.10 173.19 3hig s HIS 515 N -0.40 2.86 0.00 5.22 2.46 -0.50 -1.37 115.29 123.57 3hig s HIS 515 Ca 0.06 -0.46 0.05 0.00 0.47 0.00 0.00 55.06 55.18 3hig s HIS 515 Cb -0.09 -1.84 -0.03 0.00 -0.13 0.00 0.00 32.58 30.49 3hig s HIS 515 CO -0.00 -0.09 -0.14 0.71 -2.47 0.00 0.00 174.74 172.75 3hig s TYR 516 N 0.16 2.67 -0.19 3.88 1.51 0.30 -0.60 117.35 125.09 3hig s TYR 516 Ca -0.05 -0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 55.73 3hig s TYR 516 Cb -0.15 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.11 3hig s TYR 516 CO 0.04 0.25 0.12 0.50 -1.11 0.00 0.00 175.55 175.35 3hig s ARG 517 N -1.19 4.12 -0.47 -0.62 3.52 0.31 -1.34 118.95 123.28 3hig s ARG 517 Ca 0.14 -0.24 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 3hig s ARG 517 Cb -0.11 -3.37 0.15 0.00 -1.56 0.00 0.00 34.95 30.06 3hig s ARG 517 CO 0.04 0.31 0.29 0.08 -0.81 0.00 0.00 175.30 175.22 3hig s VAL 518 N 0.30 1.35 -1.16 7.11 1.01 0.52 -0.82 120.40 128.71 3hig s VAL 518 Ca 0.07 -2.77 -0.15 0.00 0.00 0.00 0.00 61.98 59.13 3hig s VAL 518 Cb -0.11 -1.93 0.15 0.00 0.00 0.00 0.00 36.38 34.48 3hig s VAL 518 CO -0.01 -0.98 1.41 -0.62 0.00 0.00 0.00 175.10 174.90 3hig s ASP 519 N 0.08 6.96 0.20 3.32 2.15 0.99 -1.06 116.67 129.31 3hig s ASP 519 Ca 0.21 -2.74 -0.30 0.00 0.43 0.00 0.00 52.55 50.16 3hig s ASP 519 Cb -0.16 -2.42 -0.08 0.00 -0.30 0.00 0.00 42.92 39.95 3hig s ASP 519 CO -0.06 -0.86 1.14 -0.76 -0.17 0.00 0.00 175.17 174.46 3hig s LEU 520 N 2.13 4.48 -0.60 -1.34 1.43 -1.26 -0.61 118.68 122.92 3hig s LEU 520 Ca 0.42 2.20 0.05 0.00 -1.03 0.00 0.00 54.13 55.77 3hig s LEU 520 Cb -0.02 -3.61 0.19 0.00 0.03 0.00 0.00 46.19 42.78 3hig s LEU 520 CO -0.01 -0.27 0.52 0.47 0.23 0.00 0.00 176.35 177.28 3hig n ASP 521 N 2.16 2.15 -4.62 2.29 8.00 -0.55 -4.53 116.55 121.45 3hig n ASP 521 Ca 0.03 -3.03 -0.43 0.00 0.71 0.00 0.00 54.79 52.07 3hig n ASP 521 Cb 0.45 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.32 3.73 -1.27 2.53 1.01 -1.23 -1.99 120.40 121.86 3hig s VAL 522 Ca 0.31 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3hig s VAL 522 Cb 0.04 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3hig s VAL 522 CO -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 175.10 174.61 3hig n ALA 523 N 8.60 -0.63 0.00 5.51 0.00 0.21 -4.55 120.51 129.65 3hig n ALA 523 Ca 0.19 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3hig n ALA 523 Cb 0.46 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.72 2.87 0.20 0.00 0.00 -0.84 -4.88 105.19 101.82 3hig n GLY 524 Ca -0.16 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 3hig n GLY 524 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hig h THR 525 N 0.44 1.34 -3.59 2.61 1.35 -1.84 -3.39 112.91 109.83 3hig h THR 525 Ca 0.00 -1.88 -0.63 0.00 -0.55 0.00 0.00 66.41 63.35 3hig h THR 525 Cb 0.00 1.87 -0.13 0.00 -1.73 0.00 0.00 68.15 68.16 3hig h THR 525 CO 0.00 0.58 0.32 -0.54 -0.25 0.00 0.00 175.52 175.62 3hig s LYS 526 N -3.89 3.53 0.31 4.72 -0.14 -1.26 -3.70 119.74 119.31 3hig s LYS 526 Ca -0.06 0.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.59 3hig s LYS 526 Cb 0.11 -3.89 -0.06 0.00 -1.68 0.00 0.00 37.83 32.31 3hig s LYS 526 CO 0.83 -0.99 0.05 -0.80 -0.76 0.00 0.00 175.35 173.68 3hig s ASN 527 N 2.00 2.31 0.31 2.83 0.02 0.34 -4.48 114.94 118.28 3hig s ASN 527 Ca 0.29 -1.36 0.05 0.00 -1.02 0.00 0.00 52.86 50.82 3hig s ASN 527 Cb -0.13 -0.07 -0.06 0.00 0.02 0.00 0.00 41.25 41.01 3hig s ASN 527 CO 0.20 -0.59 0.01 -0.94 0.02 0.00 0.00 177.10 175.80 3hig s SER 528 N -3.47 2.63 -0.06 -1.22 1.04 -0.29 -1.39 113.70 110.93 3hig s SER 528 Ca 0.36 -1.31 0.05 0.00 0.48 0.00 0.00 55.95 55.53 3hig s SER 528 Cb 0.08 -0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 3hig s SER 528 CO 0.15 -0.50 -0.20 0.12 0.98 0.00 0.00 173.24 173.78 3hig s PHE 529 N -3.15 2.08 0.11 5.02 5.36 -1.26 -0.80 117.98 125.34 3hig s PHE 529 Ca 0.34 -0.68 -0.06 0.00 -0.96 0.00 0.00 56.93 55.56 3hig s PHE 529 Cb 0.07 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.34 3hig s PHE 529 CO 0.14 -0.25 0.15 1.14 -1.46 0.00 0.00 175.22 174.94 3hig s GLN 530 N 0.11 0.88 0.11 10.12 -2.07 -0.43 -2.89 119.66 125.49 3hig s GLN 530 Ca -0.08 -1.14 0.07 0.00 -1.82 0.00 0.00 55.36 52.39 3hig s GLN 530 Cb -0.14 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 3hig s GLN 530 CO 0.04 -0.27 -0.17 0.95 -1.32 0.00 0.00 175.29 174.53 3hig s THR 531 N -3.93 1.46 0.00 3.63 -4.23 -0.42 -0.98 115.64 111.17 3hig s THR 531 Ca 0.11 -1.60 0.08 0.00 -1.18 0.00 0.00 61.69 59.11 3hig s THR 531 Cb 0.06 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 3hig s THR 531 CO -0.06 -0.25 -0.25 -0.76 -0.54 0.00 0.00 174.62 172.76 3hig s LEU 532 N -2.16 2.16 0.08 4.79 1.43 -0.87 -0.78 118.68 123.34 3hig s LEU 532 Ca 0.07 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3hig s LEU 532 Cb -0.08 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3hig s LEU 532 CO 0.04 0.30 -0.06 -1.10 0.23 0.00 0.00 176.35 175.76 3hig s GLN 533 N -0.84 0.75 -0.08 1.70 1.11 0.06 -3.19 119.66 119.17 3hig s GLN 533 Ca 0.11 -1.23 -0.18 0.00 0.01 0.00 0.00 55.36 54.07 3hig s GLN 533 Cb -0.10 -0.15 -0.05 0.00 -1.01 0.00 0.00 33.01 31.71 3hig s GLN 533 CO 0.00 -0.02 0.48 1.41 0.01 0.00 0.00 175.29 177.17 3hig s MET 534 N -3.52 4.26 -0.02 2.91 1.75 -1.26 -0.69 119.30 122.73 3hig s MET 534 Ca 0.08 0.48 0.02 0.00 -1.25 0.00 0.00 55.69 55.02 3hig s MET 534 Cb 0.03 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.32 3hig s MET 534 CO -0.05 0.28 -0.07 0.21 -0.65 0.00 0.00 175.02 174.74 3hig s LYS 535 N 0.20 0.80 0.43 4.11 2.20 -0.43 -4.94 119.74 122.11 3hig s LYS 535 Ca 0.26 -0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.41 3hig s LYS 535 Cb -0.16 -0.76 -0.10 0.00 -1.51 0.00 0.00 37.83 35.30 3hig s LYS 535 CO 0.12 0.08 0.99 -0.51 -0.36 0.00 0.00 175.35 175.67 3hig s LEU 536 N 0.23 4.00 0.19 5.43 1.43 -1.26 0.15 118.68 128.85 3hig s LEU 536 Ca -0.03 1.83 0.10 0.00 -1.03 0.00 0.00 54.13 55.00 3hig s LEU 536 Cb -0.08 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 3hig s LEU 536 CO 0.00 -0.46 -0.21 -1.83 0.23 0.00 0.00 176.35 174.08 3hig s GLU 537 N -2.94 1.43 -0.23 1.70 -1.05 0.08 -4.85 118.70 112.83 3hig s GLU 537 Ca 0.61 -1.52 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 3hig s GLU 537 Cb -0.14 -1.58 0.06 0.00 -0.44 0.00 0.00 34.13 32.03 3hig s GLU 537 CO 0.19 0.32 -0.03 1.21 0.95 0.00 0.00 175.26 177.90 3hig s ASN 538 N -2.83 3.74 0.25 0.83 3.84 -1.26 -1.20 114.94 118.32 3hig s ASN 538 Ca 0.20 -1.16 0.06 0.00 0.21 0.00 0.00 52.86 52.17 3hig s ASN 538 Cb -0.06 -1.09 -0.05 0.00 -0.55 0.00 0.00 41.25 39.49 3hig s ASN 538 CO 0.09 -0.25 -0.06 0.27 -2.79 0.00 0.00 177.10 174.36 3hig s ILE 539 N 1.46 1.50 0.29 -5.21 -4.36 -0.10 -4.98 121.20 109.80 3hig s ILE 539 Ca -0.04 -2.11 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 3hig s ILE 539 Cb -0.19 -2.35 -0.11 0.00 1.25 0.00 0.00 42.46 41.07 3hig s ILE 539 CO -0.07 -0.36 1.49 -0.89 0.24 0.00 0.00 174.94 175.35 3hig s THR 540 N -3.11 2.35 -0.16 8.37 2.01 -1.26 -0.23 115.64 123.62 3hig s THR 540 Ca 0.28 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 3hig s THR 540 Cb 0.04 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 3hig s THR 540 CO 0.10 0.05 1.75 0.21 -0.69 0.00 0.00 174.62 176.04 3hig s ASN 541 N 0.27 6.31 0.52 3.53 3.84 -0.19 -4.59 114.94 124.64 3hig s ASN 541 Ca 0.59 1.89 0.27 0.00 0.21 0.00 0.00 52.86 55.83 3hig s ASN 541 Cb -0.45 -2.53 1.43 0.00 -0.55 0.00 0.00 41.25 39.16 3hig s ASN 541 CO 0.49 -1.27 2.06 -0.65 -2.79 0.00 0.00 177.10 174.94 3hig h PRO 542 N 11.08 0.00 -0.01 0.43 0.11 -1.91 -2.66 132.00 139.03 3hig h PRO 542 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hig h PRO 542 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hig h PRO 542 CO 0.98 0.12 -0.22 -2.67 -0.21 0.00 0.00 178.00 176.00 3hig n TRP 543 N -3.62 0.00 -3.16 0.65 4.27 -1.26 -4.75 117.44 109.57 3hig n TRP 543 Ca -0.02 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.41 3hig n TRP 543 Cb 0.25 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 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 -1.60 0.36 0.58 -0.67 0.15 -1.02 -5.05 113.70 106.45 3hig s SER 544 Ca 0.13 -2.54 0.29 0.00 0.70 0.00 0.00 55.95 54.52 3hig s SER 544 Cb 0.12 0.44 1.49 0.00 -1.71 0.00 0.00 66.02 66.36 3hig s SER 544 CO 0.31 -0.13 1.94 -0.65 1.20 0.00 0.00 173.24 175.91 3hig h PRO 545 N 5.45 0.00 0.00 5.44 0.11 -1.83 0.11 132.00 141.28 3hig h PRO 545 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3hig h PRO 545 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hig h PRO 545 CO 0.23 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.56 3hig n ARG 546 N -3.86 0.33 -4.46 1.05 1.74 -1.26 -4.69 116.66 105.51 3hig n ARG 546 Ca 0.08 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.98 3hig n ARG 546 Cb 0.64 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.44 2.50 0.14 -1.55 3.76 0.39 -5.05 115.29 113.04 3hig s HIS 547 Ca 0.20 -0.66 0.08 0.00 -0.15 0.00 0.00 55.06 54.52 3hig s HIS 547 Cb 0.12 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3hig s HIS 547 CO 0.26 0.34 -0.09 1.03 -0.85 0.00 0.00 174.74 175.43 3hig s ARG 548 N -3.79 2.10 -0.21 1.40 1.81 -1.26 -1.02 118.95 117.98 3hig s ARG 548 Ca 0.35 -1.14 -0.02 0.00 -1.72 0.00 0.00 55.73 53.20 3hig s ARG 548 Cb 0.07 -2.24 0.01 0.00 -0.45 0.00 0.00 34.95 32.34 3hig s ARG 548 CO 0.19 0.47 -0.10 0.08 -0.68 0.00 0.00 175.30 175.26 3hig s VAL 549 N -1.46 2.86 -0.31 3.52 1.01 0.69 -4.62 120.40 122.09 3hig s VAL 549 Ca 0.23 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3hig s VAL 549 Cb -0.10 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.00 3hig s VAL 549 CO 0.15 0.42 0.10 -0.69 0.00 0.00 0.00 175.10 175.08 3hig s VAL 550 N 1.39 4.01 0.09 2.92 1.01 -1.26 -0.93 120.40 127.64 3hig s VAL 550 Ca 0.05 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3hig s VAL 550 Cb -0.14 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3hig s VAL 550 CO -0.07 -0.01 0.26 0.00 0.00 0.00 0.00 175.10 175.29 3hig s GLN 551 N 1.49 0.90 0.32 2.72 -2.07 -0.34 -4.95 119.66 117.74 3hig s GLN 551 Ca 0.02 -0.84 -0.29 0.00 -1.82 0.00 0.00 55.36 52.42 3hig s GLN 551 Cb -0.18 0.38 -0.11 0.00 -1.09 0.00 0.00 33.01 32.01 3hig s GLN 551 CO 0.03 -0.31 1.57 -2.14 -1.32 0.00 0.00 175.29 173.12 3hig s PRO 552 N -3.71 4.11 0.29 9.60 0.02 -1.26 -0.74 135.00 143.31 3hig s PRO 552 Ca 0.03 2.59 0.07 0.00 0.02 0.00 0.00 61.00 63.72 3hig s PRO 552 Cb 0.03 -3.00 -0.06 0.00 0.02 0.00 0.00 34.50 31.50 3hig s PRO 552 CO -0.11 -0.61 -0.06 0.95 -0.33 0.00 0.00 177.00 176.84 3hig s THR 553 N -0.38 1.76 -0.29 0.99 -4.23 0.12 -4.84 115.64 108.78 3hig s THR 553 Ca 0.60 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.84 3hig s THR 553 Cb -0.48 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3hig s THR 553 CO 0.53 -0.27 0.26 -0.22 -0.54 0.00 0.00 174.62 174.39 3hig s LEU 554 N -3.48 4.12 -0.11 4.79 2.96 -1.26 -1.32 118.68 124.38 3hig s LEU 554 Ca 0.30 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3hig s LEU 554 Cb 0.04 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3hig s LEU 554 CO 0.13 -0.14 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.24 3hig s GLU 555 N 1.87 3.16 -0.12 1.98 2.12 0.13 -4.96 118.70 122.89 3hig s GLU 555 Ca 0.10 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.85 3hig s GLU 555 Cb -0.16 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 3hig s GLU 555 CO 0.11 0.43 -0.12 1.14 -0.54 0.00 0.00 175.26 176.27 3hig s GLN 556 N -0.18 3.24 -0.11 4.30 1.03 -1.26 -0.76 119.66 125.93 3hig s GLN 556 Ca 0.02 -0.67 0.02 0.00 0.04 0.00 0.00 55.36 54.77 3hig s GLN 556 Cb -0.13 -2.61 -0.01 0.00 0.03 0.00 0.00 33.01 30.29 3hig s GLN 556 CO 0.03 0.30 -0.19 0.99 -2.54 0.00 0.00 175.29 173.88 3hig s THR 557 N 0.13 2.51 0.11 3.63 2.01 0.04 -4.99 115.64 119.07 3hig s THR 557 Ca -0.06 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 3hig s THR 557 Cb -0.15 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3hig s THR 557 CO 0.04 0.55 0.31 -1.10 -0.69 0.00 0.00 174.62 173.73 3hig s GLN 558 N 0.29 3.55 -0.09 4.92 -1.52 -1.26 -1.30 119.66 124.25 3hig s GLN 558 Ca -0.14 -0.22 0.03 0.00 -1.95 0.00 0.00 55.36 53.08 3hig s GLN 558 Cb -0.17 -2.93 0.01 0.00 -0.22 0.00 0.00 33.01 29.70 3hig s GLN 558 CO 0.07 0.53 -0.19 0.71 -0.25 0.00 0.00 175.29 176.16 3hig s TYR 559 N -1.59 2.13 -0.02 0.91 1.51 -1.14 -5.00 117.35 114.15 3hig s TYR 559 Ca 0.38 -0.87 0.12 0.00 -1.01 0.00 0.00 57.07 55.70 3hig s TYR 559 Cb -0.12 -1.47 -0.19 0.00 -0.11 0.00 0.00 41.96 40.06 3hig s TYR 559 CO 0.26 -0.38 0.27 0.43 -1.11 0.00 0.00 175.55 175.02 3hig n SER 560 N 3.69 2.16 -4.05 2.29 7.64 -1.26 -4.56 113.62 119.53 3hig n SER 560 Ca -0.20 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.53 3hig n SER 560 Cb 0.52 1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 65.16 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 -2.86 0.69 0.23 1.43 0.52 -1.26 -0.51 118.94 117.18 3hig s TRP 561 Ca -0.05 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.62 3hig s TRP 561 Cb 0.08 -0.41 0.40 0.00 -1.15 0.00 0.00 33.47 32.38 3hig s TRP 561 CO 0.52 -0.05 1.74 0.93 0.02 0.00 0.00 176.95 180.10 3hig h GLU 562 N 4.85 0.45 -0.23 4.98 5.08 -1.34 -1.69 114.58 126.67 3hig h GLU 562 Ca -0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 3hig h GLU 562 Cb 1.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3hig h GLU 562 CO 0.43 0.30 0.06 -0.09 -1.00 0.00 0.00 179.01 178.70 3hig h ARG 563 N 0.46 0.32 0.00 2.33 9.65 -1.86 -0.42 114.38 124.85 3hig h ARG 563 Ca 0.38 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.18 3hig h ARG 563 Cb 0.53 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3hig h ARG 563 CO -0.36 0.30 -0.18 1.96 2.80 0.00 0.00 179.97 184.49 3hig h GLN 564 N 0.32 0.00 -0.56 0.20 4.20 -1.73 -2.99 115.11 114.56 3hig h GLN 564 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3hig h GLN 564 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3hig h GLN 564 CO -0.00 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 3hig n ALA 565 N -2.37 2.75 -3.04 3.87 0.00 -0.19 -4.81 120.51 116.71 3hig n ALA 565 Ca -0.02 -1.53 -0.45 0.00 0.00 0.00 0.00 53.44 51.44 3hig n ALA 565 Cb 0.27 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.61 3.53 -0.31 0.00 0.00 -1.06 -3.18 121.76 119.12 3hig s ALA 566 Ca 0.44 -2.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.05 3hig s ALA 566 Cb 0.27 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3hig s ALA 566 CO 0.23 -2.00 0.29 -0.06 0.00 0.00 0.00 175.76 174.21 3hig s PHE 567 N 2.02 3.22 0.60 0.00 0.08 -0.06 -5.01 117.98 118.83 3hig s PHE 567 Ca 0.07 0.05 -0.09 0.00 0.12 0.00 0.00 56.93 57.09 3hig s PHE 567 Cb -0.25 -2.52 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 3hig s PHE 567 CO 0.06 -0.30 0.96 1.03 -0.10 0.00 0.00 175.22 176.88 3hig s ARG 568 N 1.88 3.33 0.46 0.44 0.52 -1.26 -3.19 118.95 121.14 3hig s ARG 568 Ca 0.10 0.44 0.17 0.00 -0.52 0.00 0.00 55.73 55.92 3hig s ARG 568 Cb -0.16 -2.17 1.11 0.00 0.52 0.00 0.00 34.95 34.24 3hig s ARG 568 CO 0.11 -0.59 2.01 0.74 0.02 0.00 0.00 175.30 177.59 3hig h PHE 569 N -0.23 0.00 0.00 -0.53 -1.00 -1.91 -1.54 116.94 111.73 3hig h PHE 569 Ca -0.45 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.22 3hig h PHE 569 Cb 1.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.76 3hig h PHE 569 CO 0.58 0.17 -0.53 0.87 -1.61 0.00 0.00 178.31 177.79 3hig h LYS 570 N 0.00 0.00 -6.94 1.51 1.57 -1.93 -3.45 116.57 107.32 3hig h LYS 570 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.28 3hig h LYS 570 Cb 0.32 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.66 3hig h LYS 570 CO 0.02 0.53 0.45 0.50 -0.57 0.00 0.00 179.45 180.39 3hig s ARG 571 N -3.70 4.16 -0.00 3.15 3.52 -0.58 -4.99 118.95 120.51 3hig s ARG 571 Ca -0.01 1.67 -0.30 0.00 -0.13 0.00 0.00 55.73 56.96 3hig s ARG 571 Cb 0.13 -2.65 -0.07 0.00 -1.56 0.00 0.00 34.95 30.79 3hig s ARG 571 CO 0.74 -0.18 1.70 -1.59 -0.81 0.00 0.00 175.30 175.16 3hig s LYS 572 N -2.32 4.18 -0.28 5.12 -2.85 -1.26 -4.81 119.74 117.52 3hig s LYS 572 Ca 0.56 2.30 -0.17 0.00 -1.00 0.00 0.00 55.97 57.66 3hig s LYS 572 Cb -0.26 -3.90 -0.02 0.00 -2.06 0.00 0.00 37.83 31.59 3hig s LYS 572 CO 0.33 -0.83 0.49 -1.17 0.10 0.00 0.00 175.35 174.27 3hig s LEU 573 N 3.67 4.11 0.76 2.77 2.96 -1.26 -5.04 118.68 126.65 3hig s LEU 573 Ca 0.76 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.87 3hig s LEU 573 Cb -0.37 -2.60 0.05 0.00 0.50 0.00 0.00 46.19 43.78 3hig s LEU 573 CO 0.32 -0.31 1.21 -2.65 -1.32 0.00 0.00 176.35 173.60 3hig n PRO 574 N 5.55 0.44 0.20 0.98 -0.02 -1.26 -4.92 135.00 135.98 3hig n PRO 574 Ca -0.05 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.74 3hig n PRO 574 Cb 0.50 -2.45 0.29 0.00 -0.02 0.00 0.00 33.50 31.82 3hig n PRO 574 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hig h LYS 575 N -0.50 0.00 -4.88 -0.52 6.56 -1.97 -3.40 116.57 111.86 3hig h LYS 575 Ca -0.48 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.44 3hig h LYS 575 Cb 1.31 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.61 3hig h LYS 575 CO 0.48 0.23 -0.80 0.71 -2.06 0.00 0.00 179.45 178.01 3hig s TYR 576 N -3.35 3.23 -0.38 -1.35 1.51 -1.19 -5.01 117.35 110.80 3hig s TYR 576 Ca 0.03 -2.23 -0.06 0.00 -1.01 0.00 0.00 57.07 53.80 3hig s TYR 576 Cb 0.08 -1.94 0.07 0.00 -0.11 0.00 0.00 41.96 40.06 3hig s TYR 576 CO 0.67 -0.87 0.17 -0.51 -1.11 0.00 0.00 175.55 173.90 3hig s LEU 577 N 1.13 4.79 -0.09 -1.29 1.43 -1.26 -2.05 118.68 121.35 3hig s LEU 577 Ca -0.07 -1.49 0.01 0.00 -1.03 0.00 0.00 54.13 51.55 3hig s LEU 577 Cb -0.19 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 3hig s LEU 577 CO -0.05 -0.45 -0.11 -0.76 0.23 0.00 0.00 176.35 175.21 3hig s LEU 578 N 1.34 2.88 -0.28 1.79 1.43 -0.15 -0.99 118.68 124.69 3hig s LEU 578 Ca 0.02 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3hig s LEU 578 Cb -0.22 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3hig s LEU 578 CO 0.01 0.28 0.03 -0.36 0.23 0.00 0.00 176.35 176.54 3hig s PHE 579 N -0.34 3.13 0.13 0.29 0.40 -0.16 -1.31 117.98 120.12 3hig s PHE 579 Ca 0.04 -1.20 0.08 0.00 -0.60 0.00 0.00 56.93 55.25 3hig s PHE 579 Cb -0.13 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 3hig s PHE 579 CO 0.02 -0.64 -0.14 0.95 0.70 0.00 0.00 175.22 176.12 3hig s THR 580 N 1.43 3.06 0.11 0.64 -4.23 0.02 -1.03 115.64 115.65 3hig s THR 580 Ca 0.01 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3hig s THR 580 Cb -0.17 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3hig s THR 580 CO 0.00 0.05 0.20 -0.55 -0.54 0.00 0.00 174.62 173.79 3hig s SER 581 N -2.32 6.09 0.50 3.99 0.15 0.09 -1.14 113.70 121.06 3hig s SER 581 Ca 0.21 0.13 0.33 0.00 0.70 0.00 0.00 55.95 57.32 3hig s SER 581 Cb -0.10 -1.79 1.53 0.00 -1.71 0.00 0.00 66.02 63.95 3hig s SER 581 CO 0.12 0.11 2.00 -0.65 1.20 0.00 0.00 173.24 176.02 3hig h PRO 582 N 2.67 0.00 -6.86 5.44 0.11 -1.88 -3.35 132.00 128.13 3hig h PRO 582 Ca -0.47 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 3hig h PRO 582 Cb 1.18 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.34 3hig h PRO 582 CO 0.70 0.00 0.60 -0.65 -0.21 0.00 0.00 178.00 178.44 3hig s GLN 583 N -3.70 4.43 0.09 1.05 -0.21 -1.26 -4.88 119.66 115.17 3hig s GLN 583 Ca -0.00 2.11 0.01 0.00 0.02 0.00 0.00 55.36 57.50 3hig s GLN 583 Cb 0.10 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 3hig s GLN 583 CO 0.45 -0.09 0.23 -1.21 -2.12 0.00 0.00 175.29 172.55 3hig s GLU 584 N -1.69 3.42 1.05 2.91 2.02 -1.26 -1.17 118.70 123.98 3hig s GLU 584 Ca 0.48 -0.50 -0.17 0.00 0.02 0.00 0.00 54.97 54.79 3hig s GLU 584 Cb -0.38 -3.01 0.24 0.00 0.10 0.00 0.00 34.13 31.08 3hig s GLU 584 CO 0.50 0.58 1.28 0.54 0.02 0.00 0.00 175.26 178.18 3hig s ASN 585 N -2.73 2.35 0.26 -0.19 2.20 0.12 -4.85 114.94 112.09 3hig s ASN 585 Ca 0.35 0.30 0.20 0.00 -0.94 0.00 0.00 52.86 52.76 3hig s ASN 585 Cb -0.12 -0.34 0.99 0.00 -2.00 0.00 0.00 41.25 39.78 3hig s ASN 585 CO 0.28 -3.21 1.61 -2.65 -2.94 0.00 0.00 177.10 170.18 3hig n PRO 586 N -4.09 0.14 -0.25 3.55 -0.02 -1.26 -2.31 135.00 130.75 3hig n PRO 586 Ca 0.16 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3hig n PRO 586 Cb 0.59 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.15 0.66 -0.53 6.00 5.03 -1.26 -4.94 117.44 120.25 3hig n TRP 587 Ca -0.00 -0.37 0.00 0.00 3.03 0.00 0.00 57.50 60.16 3hig n TRP 587 Cb 0.09 -0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.37 3hig n TRP 587 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3hig n GLY 588 N 1.42 0.74 3.86 6.99 0.00 -0.98 -5.06 105.19 112.15 3hig n GLY 588 Ca 0.20 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 3.47 0.32 1.61 3.76 -1.26 -4.84 115.29 116.34 3hig s HIS 589 Ca 0.00 0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.96 3hig s HIS 589 Cb 0.00 -1.82 -0.11 0.00 1.11 0.00 0.00 32.58 31.76 3hig s HIS 589 CO 0.00 0.63 1.42 0.15 -0.85 0.00 0.00 174.74 176.09 3hig s LYS 590 N -1.68 4.24 -0.16 1.40 3.01 -1.26 0.11 119.74 125.40 3hig s LYS 590 Ca 0.23 2.38 -0.29 0.00 -1.01 0.00 0.00 55.97 57.28 3hig s LYS 590 Cb -0.12 -3.04 -0.01 0.00 -1.01 0.00 0.00 37.83 33.64 3hig s LYS 590 CO 0.14 -0.39 1.26 1.03 0.51 0.00 0.00 175.35 177.89 3hig s ARG 591 N -1.41 4.24 0.12 1.68 0.52 -0.32 -4.62 118.95 119.16 3hig s ARG 591 Ca 0.54 1.66 -0.01 0.00 -0.52 0.00 0.00 55.73 57.40 3hig s ARG 591 Cb -0.43 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.25 3hig s ARG 591 CO 0.53 -0.69 0.04 -1.54 0.02 0.00 0.00 175.30 173.66 3hig s SER 592 N 1.93 0.35 -0.01 0.23 1.04 -0.70 -0.73 113.70 115.81 3hig s SER 592 Ca 0.55 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.88 3hig s SER 592 Cb -0.22 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 3hig s SER 592 CO 0.15 -0.70 -0.23 -0.31 0.98 0.00 0.00 173.24 173.13 3hig s TYR 593 N -4.02 2.05 -0.11 5.02 1.51 -0.20 -0.88 117.35 120.72 3hig s TYR 593 Ca 0.21 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3hig s TYR 593 Cb 0.08 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3hig s TYR 593 CO -0.00 -0.01 -0.02 0.50 -1.11 0.00 0.00 175.55 174.91 3hig s ARG 594 N -0.64 3.21 -0.20 -0.62 3.52 0.10 -0.98 118.95 123.34 3hig s ARG 594 Ca 0.09 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.17 3hig s ARG 594 Cb -0.09 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 3hig s ARG 594 CO -0.00 0.54 0.04 -1.17 -0.81 0.00 0.00 175.30 173.90 3hig s LEU 595 N -0.44 3.55 -0.11 -0.88 2.96 -0.16 -0.90 118.68 122.70 3hig s LEU 595 Ca 0.08 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3hig s LEU 595 Cb -0.12 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3hig s LEU 595 CO 0.02 0.11 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.43 3hig s GLN 596 N 0.77 2.20 -0.17 1.98 0.74 -0.15 -4.21 119.66 120.82 3hig s GLN 596 Ca 0.02 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 54.82 3hig s GLN 596 Cb -0.14 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.06 3hig s GLN 596 CO 0.02 -0.07 0.04 0.42 -0.55 0.00 0.00 175.29 175.15 3hig s ILE 597 N 1.01 4.57 -0.37 -2.34 1.01 -1.26 -0.25 121.20 123.58 3hig s ILE 597 Ca -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3hig s ILE 597 Cb -0.15 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.36 3hig s ILE 597 CO -0.02 0.48 0.14 -2.28 0.00 0.00 0.00 174.94 173.26 3hig s HIS 598 N 0.25 3.39 0.02 3.97 2.46 0.84 -4.98 115.29 121.23 3hig s HIS 598 Ca 0.02 -1.91 -0.25 0.00 0.47 0.00 0.00 55.06 53.40 3hig s HIS 598 Cb -0.13 -2.69 0.06 0.00 -0.13 0.00 0.00 32.58 29.69 3hig s HIS 598 CO 0.01 -0.86 0.57 0.45 -2.47 0.00 0.00 174.74 172.44 3hig s SER 599 N 1.65 -0.51 -0.21 9.88 0.15 -1.26 -1.25 113.70 122.15 3hig s SER 599 Ca 0.02 0.34 0.11 0.00 0.70 0.00 0.00 55.95 57.12 3hig s SER 599 Cb -0.21 0.50 0.42 0.00 -1.71 0.00 0.00 66.02 65.02 3hig s SER 599 CO -0.01 -0.68 1.22 0.23 1.20 0.00 0.00 173.24 175.20 3hig n MET 600 N 0.58 1.58 -1.75 5.44 2.81 0.24 -4.95 117.12 121.07 3hig n MET 600 Ca -0.19 -3.29 -0.30 0.00 -1.81 0.00 0.00 57.70 52.11 3hig n MET 600 Cb 0.59 -1.62 0.05 0.00 -0.71 0.00 0.00 33.22 31.53 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 -3.23 2.77 0.31 3.04 0.00 -0.69 -4.34 121.76 119.63 3hig s ALA 601 Ca 0.38 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 3hig s ALA 601 Cb 0.37 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.42 3hig s ALA 601 CO -0.07 -1.16 0.66 0.34 0.00 0.00 0.00 175.76 175.54 3hig s ASP 602 N -4.11 -0.03 0.03 0.00 -1.08 -1.26 -4.98 116.67 105.24 3hig s ASP 602 Ca 0.58 -0.92 -0.30 0.00 -0.52 0.00 0.00 52.55 51.39 3hig s ASP 602 Cb -0.12 0.73 -0.08 0.00 -1.46 0.00 0.00 42.92 41.99 3hig s ASP 602 CO 0.53 -1.40 1.69 -1.58 0.52 0.00 0.00 175.17 174.94 3hig s GLN 603 N -3.40 4.19 -0.18 4.34 2.00 -1.26 -4.93 119.66 120.41 3hig s GLN 603 Ca 0.17 2.33 -0.16 0.00 -2.00 0.00 0.00 55.36 55.70 3hig s GLN 603 Cb -0.04 -3.77 -0.06 0.00 0.80 0.00 0.00 33.01 29.94 3hig s GLN 603 CO 0.10 -0.79 -0.29 0.28 -0.50 0.00 0.00 175.29 174.09 3hig n VAL 604 N 5.02 1.48 -3.84 1.34 0.31 -1.26 -5.00 118.33 116.38 3hig n VAL 604 Ca 0.17 0.11 -0.22 0.00 -0.01 0.00 0.00 64.34 64.39 3hig n VAL 604 Cb 0.41 -2.32 -0.02 0.00 -0.91 0.00 0.00 33.84 31.01 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 -7.96 4.26 0.15 7.52 1.43 -1.26 -5.05 118.68 117.77 3hig s LEU 605 Ca -0.26 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3hig s LEU 605 Cb 0.04 -2.97 -0.08 0.00 0.03 0.00 0.00 46.19 43.22 3hig s LEU 605 CO 0.39 -0.10 1.25 -2.84 0.23 0.00 0.00 176.35 175.28 3hig s PRO 606 N -3.92 4.43 0.20 1.29 0.02 -1.26 -4.93 135.00 130.83 3hig s PRO 606 Ca 0.35 1.91 -0.32 0.00 0.02 0.00 0.00 61.00 62.97 3hig s PRO 606 Cb -0.09 -3.26 -0.12 0.00 0.02 0.00 0.00 34.50 31.04 3hig s PRO 606 CO 0.30 -0.21 1.69 -2.30 -0.33 0.00 0.00 177.00 176.15 3hig n PRO 607 N 3.08 2.67 -0.48 5.54 -0.02 -1.26 -2.03 135.00 142.50 3hig n PRO 607 Ca 0.07 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3hig n PRO 607 Cb 0.44 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.81 0.75 3.46 -1.23 0.00 -1.26 -5.03 105.19 105.69 3hig n GLY 608 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.97 3.17 0.00 1.61 -0.11 -0.86 -4.93 118.94 114.84 3hig s TRP 609 Ca 0.00 -0.50 0.00 0.00 1.22 0.00 0.00 56.10 56.82 3hig s TRP 609 Cb 0.00 -3.02 0.00 0.00 -1.50 0.00 0.00 33.47 28.95 3hig s TRP 609 CO 0.00 -0.76 0.00 1.04 -4.62 0.00 0.00 176.95 172.61 3hig n GLN 610 N 5.61 0.00 0.26 5.86 1.13 -1.26 -1.51 117.38 127.47 3hig n GLN 610 Ca -0.08 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.15 3hig n GLN 610 Cb 0.46 0.00 0.74 0.00 0.11 0.00 0.00 30.24 31.56 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 0.00 -1.09 3.07 -1.94 -2.63 114.58 112.00 3hig h GLU 611 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hig h GLU 611 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hig h GLU 611 CO 0.00 0.00 0.11 1.49 -1.40 0.00 0.00 179.01 179.21 3hig h GLU 612 N 0.00 0.00 -0.01 2.33 4.22 -1.54 -1.06 114.58 118.51 3hig h GLU 612 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3hig h GLU 612 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hig h GLU 612 CO 0.00 0.00 0.01 0.37 -2.18 0.00 0.00 179.01 177.21 3hig h GLN 613 N 0.00 0.00 0.00 1.92 5.75 -1.64 -1.61 115.11 119.53 3hig h GLN 613 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hig h GLN 613 Cb 0.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.76 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 1.99 1.00 -0.70 3.38 0.00 -1.01 -3.36 119.26 120.56 3hig h ALA 614 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.53 3hig h ALA 614 Cb 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.40 3hig h ALA 614 CO -0.00 0.00 -1.00 0.44 0.00 0.00 0.00 179.25 178.69 3hig n ILE 615 N -3.09 1.74 0.27 0.00 -5.35 -0.62 -4.86 119.36 107.45 3hig n ILE 615 Ca 0.04 -3.54 0.14 0.00 -0.27 0.00 0.00 62.75 59.13 3hig n ILE 615 Cb 0.53 0.21 0.77 0.00 -1.74 0.00 0.00 39.64 39.41 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 3.90 0.45 -0.11 7.28 1.35 -1.67 -0.65 112.91 123.46 3hig h THR 616 Ca 0.07 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.49 3hig h THR 616 Cb 1.32 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3hig h THR 616 CO 0.47 0.09 0.10 4.11 -0.25 0.00 0.00 175.52 180.04 3hig h TRP 617 N 0.00 0.00 0.00 4.73 5.08 -1.90 -2.57 115.95 121.29 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 0.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 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 -2.42 2.40 0.23 0.11 0.00 -0.25 -2.11 120.51 118.47 3hig n ALA 618 Ca -0.00 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.42 3hig n ALA 618 Cb 0.21 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 18.68 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 -4.61 0.00 3.08 -1.63 -3.43 114.38 107.79 3hig h ARG 619 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 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 0.13 -0.79 0.71 -1.07 0.00 0.00 179.97 178.95 3hig s TYR 620 N -3.42 2.80 0.37 3.04 2.02 -0.89 -3.00 117.35 118.27 3hig s TYR 620 Ca 0.03 -2.01 0.05 0.00 -0.37 0.00 0.00 57.07 54.77 3hig s TYR 620 Cb 0.08 -1.75 0.74 0.00 -0.40 0.00 0.00 41.96 40.63 3hig s TYR 620 CO 0.64 -0.82 2.02 -1.00 -1.57 0.00 0.00 175.55 174.81 3hig h PRO 621 N 7.87 0.71 -3.54 -1.71 0.13 -1.80 -3.27 132.00 130.40 3hig h PRO 621 Ca -0.19 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.61 3hig h PRO 621 Cb 1.06 -0.16 -0.33 0.00 0.13 0.00 0.00 31.00 31.70 3hig h PRO 621 CO 0.44 0.47 -0.72 -1.17 -0.23 0.00 0.00 178.00 176.79 3hig s LEU 622 N -9.64 1.20 0.02 1.56 2.96 -1.25 -1.55 118.68 111.98 3hig s LEU 622 Ca -0.09 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3hig s LEU 622 Cb 0.18 -0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.82 3hig s LEU 622 CO 0.75 -0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 175.63 3hig s ALA 623 N 0.91 0.33 -0.13 5.97 0.00 -0.53 -0.89 121.76 127.42 3hig s ALA 623 Ca -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3hig s ALA 623 Cb -0.11 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 3hig s ALA 623 CO -0.03 -0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.59 3hig s VAL 624 N -0.95 2.43 0.23 0.00 1.01 -1.19 -0.39 120.40 121.53 3hig s VAL 624 Ca -0.08 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.13 3hig s VAL 624 Cb -0.07 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 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 0.63 2.13 0.09 3.92 -4.23 0.01 -4.74 115.64 113.44 3hig s THR 625 Ca -0.10 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 57.90 3hig s THR 625 Cb -0.16 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.50 3hig s THR 625 CO 0.03 -0.40 1.12 -0.75 -0.54 0.00 0.00 174.62 174.08 3hig s LYS 626 N -3.30 4.51 0.34 3.99 2.20 -1.26 -0.60 119.74 125.61 3hig s LYS 626 Ca 0.24 1.68 -0.28 0.00 -0.36 0.00 0.00 55.97 57.25 3hig s LYS 626 Cb -0.04 -3.35 -0.12 0.00 -1.51 0.00 0.00 37.83 32.80 3hig s LYS 626 CO 0.10 -0.11 1.27 0.98 -0.36 0.00 0.00 175.35 177.23 3hig n TYR 627 N 3.43 2.20 -3.64 4.03 4.19 0.19 -4.88 117.16 122.69 3hig n TYR 627 Ca 0.06 0.56 -0.08 0.00 3.31 0.00 0.00 57.90 61.75 3hig n TYR 627 Cb 0.47 -2.40 -0.07 0.00 0.49 0.00 0.00 39.34 37.83 3hig n TYR 627 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3hig s ARG 628 N -1.86 0.71 0.58 2.98 3.52 -1.26 -5.01 118.95 118.60 3hig s ARG 628 Ca 0.56 1.10 0.27 0.00 -0.13 0.00 0.00 55.73 57.53 3hig s ARG 628 Cb -0.58 0.20 1.68 0.00 -1.56 0.00 0.00 34.95 34.70 3hig s ARG 628 CO 0.62 -0.13 2.20 0.93 -0.81 0.00 0.00 175.30 178.11 3hig h GLU 629 N 6.34 0.00 -0.03 5.12 4.39 -2.02 -0.60 114.58 127.78 3hig h GLU 629 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3hig h GLU 629 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3hig h GLU 629 CO 0.13 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.85 3hig n SER 630 N -3.98 0.41 -2.53 1.42 3.41 -1.26 -4.04 113.62 107.06 3hig n SER 630 Ca -0.02 -1.37 -0.12 0.00 -0.26 0.00 0.00 58.87 57.10 3hig n SER 630 Cb 0.14 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.57 2.37 0.20 4.33 1.02 -0.23 -4.88 120.64 122.87 3hig n GLU 631 Ca 0.17 -3.78 0.13 0.00 -0.02 0.00 0.00 57.16 53.66 3hig n GLU 631 Cb 0.15 -1.81 0.28 0.00 -0.02 0.00 0.00 31.44 30.04 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 2.57 0.00 -8.08 -4.62 3.38 -1.70 -3.45 115.31 103.40 3hig h LEU 632 Ca 0.07 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.68 3hig h LEU 632 Cb 1.28 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.76 3hig h LEU 632 CO 0.50 0.00 -0.77 0.00 0.09 0.00 0.00 178.44 178.26 3hig n SER 634 N 2.45 0.74 -0.82 0.00 3.41 -1.26 -4.97 113.62 113.16 3hig n SER 634 Ca -0.16 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3hig n SER 634 Cb 0.56 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 0.36 -3.68 4.04 2.88 -1.26 -4.62 113.62 109.77 3hig n SER 635 Ca 0.04 -0.69 -0.05 0.00 -1.33 0.00 0.00 58.87 56.84 3hig n SER 635 Cb 0.35 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.39 -0.24 0.14 -3.46 1.04 -1.26 -4.90 113.70 104.62 3hig s SER 636 Ca 0.00 -0.29 0.14 0.00 0.48 0.00 0.00 55.95 56.28 3hig s SER 636 Cb 0.00 0.47 0.65 0.00 0.10 0.00 0.00 66.02 67.24 3hig s SER 636 CO 0.00 -0.85 1.42 2.30 0.98 0.00 0.00 173.24 177.10 3hig n ILE 637 N -0.41 1.28 0.50 -1.02 -5.35 -1.26 -2.77 119.36 110.34 3hig n ILE 637 Ca -0.07 0.45 0.11 0.00 -0.27 0.00 0.00 62.75 62.97 3hig n ILE 637 Cb 0.61 -1.38 -0.06 0.00 -1.74 0.00 0.00 39.64 37.06 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 -1.85 0.15 -0.27 4.28 4.02 -1.26 -4.32 117.16 117.91 3hig n TYR 638 Ca 0.01 0.04 -0.02 0.00 -0.01 0.00 0.00 57.90 57.92 3hig n TYR 638 Cb 0.09 -0.37 0.15 0.00 -0.02 0.00 0.00 39.34 39.20 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 1.10 -0.71 -0.72 3.86 -1.80 -2.36 115.15 114.52 3hig h HIS 639 Ca 0.00 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 3hig h HIS 639 Cb 0.76 -0.36 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 3hig h HIS 639 CO 0.00 0.76 0.41 0.37 0.86 0.00 0.00 177.93 180.33 3hig h GLN 640 N 1.14 0.73 -0.01 2.45 5.75 -1.80 -2.22 115.11 121.15 3hig h GLN 640 Ca 0.29 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3hig h GLN 640 Cb 0.01 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3hig h GLN 640 CO -0.05 0.48 -0.65 0.09 -2.65 0.00 0.00 178.83 176.06 3hig n ASN 641 N -4.75 1.52 -3.25 -0.69 3.02 -1.16 -4.28 115.26 105.67 3hig n ASN 641 Ca 0.09 -1.26 -0.25 0.00 -0.03 0.00 0.00 54.58 53.14 3hig n ASN 641 Cb 0.17 0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 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 -0.64 0.49 0.26 6.41 -0.08 -0.90 -4.48 116.55 117.61 3hig n ASP 642 Ca 0.07 -2.73 0.17 0.00 -1.51 0.00 0.00 54.79 50.78 3hig n ASP 642 Cb 0.38 -0.63 0.73 0.00 2.34 0.00 0.00 41.12 43.94 3hig n ASP 642 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hig h PRO 643 N 4.24 0.00 -0.04 -0.67 0.13 -1.61 -2.94 132.00 131.11 3hig h PRO 643 Ca 0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.06 3hig h PRO 643 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 3hig h PRO 643 CO 0.49 0.00 -0.77 -1.49 -0.23 0.00 0.00 178.00 176.00 3hig h TRP 644 N 0.00 0.38 -1.80 1.56 6.55 -1.85 -2.97 115.95 117.82 3hig h TRP 644 Ca 0.00 -0.18 -0.47 0.00 0.95 0.00 0.00 58.89 59.19 3hig h TRP 644 Cb 0.42 -0.05 -0.37 0.00 -0.86 0.00 0.00 29.16 28.29 3hig h TRP 644 CO 0.00 0.94 -1.11 -3.47 -1.05 0.00 0.00 178.44 173.74 3hig n ASP 645 N -3.76 0.42 -4.87 -3.49 2.03 -1.12 -4.90 116.55 100.85 3hig n ASP 645 Ca -0.04 -3.03 -0.30 0.00 0.52 0.00 0.00 54.79 51.94 3hig n ASP 645 Cb 0.73 -0.37 0.05 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.99 2.83 0.33 -0.67 0.04 -1.14 -4.96 135.00 129.44 3hig s PRO 646 Ca 0.38 0.53 0.26 0.00 0.04 0.00 0.00 61.00 62.21 3hig s PRO 646 Cb 0.32 -2.01 0.92 0.00 0.04 0.00 0.00 34.50 33.77 3hig s PRO 646 CO -0.08 -1.07 1.77 -1.00 0.04 0.00 0.00 177.00 176.66 3hig h PRO 647 N -0.68 0.00 -4.37 0.56 0.13 -1.93 -3.41 132.00 122.30 3hig h PRO 647 Ca -0.45 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 3hig h PRO 647 Cb 1.25 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.03 3hig h PRO 647 CO 0.63 0.00 -0.80 0.08 -0.23 0.00 0.00 178.00 177.67 3hig s VAL 648 N -3.31 0.99 -0.26 1.56 1.01 -1.26 -5.11 120.40 114.01 3hig s VAL 648 Ca 0.06 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3hig s VAL 648 Cb 0.10 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.60 3hig s VAL 648 CO 0.52 0.33 -0.10 -0.69 0.00 0.00 0.00 175.10 175.17 3hig s VAL 649 N 0.94 2.15 0.27 2.92 1.01 -1.26 -4.90 120.40 121.53 3hig s VAL 649 Ca -0.10 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.20 3hig s VAL 649 Cb -0.15 -2.29 0.27 0.00 0.00 0.00 0.00 36.38 34.22 3hig s VAL 649 CO 0.00 -0.07 1.86 0.15 0.00 0.00 0.00 175.10 177.04 3hig h PHE 650 N 7.77 1.15 -0.95 5.22 3.57 -1.85 -1.01 116.94 130.85 3hig h PHE 650 Ca -0.18 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.60 3hig h PHE 650 Cb 1.04 -0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 3hig h PHE 650 CO 0.62 0.53 0.65 1.49 -2.23 0.00 0.00 178.31 179.36 3hig h GLU 651 N 1.07 0.22 0.00 1.11 4.57 -1.95 -0.38 114.58 119.22 3hig h GLU 651 Ca 0.46 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.60 3hig h GLU 651 Cb 0.33 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3hig h GLU 651 CO -0.22 0.14 -0.13 1.96 -1.18 0.00 0.00 179.01 179.58 3hig h GLN 652 N 0.23 0.00 0.00 1.92 4.20 -1.61 -1.53 115.11 118.31 3hig h GLN 652 Ca 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 3hig h GLN 652 Cb 1.51 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.29 3hig h GLN 652 CO -0.12 0.13 -0.05 0.74 -0.67 0.00 0.00 178.83 178.86 3hig h PHE 653 N 0.00 0.00 0.00 2.96 0.04 -1.18 -2.52 116.94 116.24 3hig h PHE 653 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hig h PHE 653 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3hig h PHE 653 CO 0.00 0.05 -0.91 1.28 -0.60 0.00 0.00 178.31 178.13 3hig n LEU 654 N -3.29 0.64 -0.23 1.54 4.77 -0.59 -4.48 117.00 115.36 3hig n LEU 654 Ca -0.01 -0.07 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 3hig n LEU 654 Cb 0.22 -0.12 0.14 0.00 -2.33 0.00 0.00 43.42 41.33 3hig n LEU 654 CO 0.26 0.09 1.01 0.45 -1.33 0.00 0.00 177.39 177.87 3hig h HIS 655 N 0.00 0.47 -0.00 -1.77 3.86 -1.31 -1.80 115.15 114.60 3hig h HIS 655 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hig h HIS 655 Cb 0.65 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.02 3hig h HIS 655 CO 0.00 0.10 -0.01 0.27 0.86 0.00 0.00 177.93 179.15 3hig n ASN 656 N -4.98 0.30 -3.99 2.45 0.23 -1.26 -4.92 115.26 103.08 3hig n ASN 656 Ca 0.11 -0.98 -0.39 0.00 -0.53 0.00 0.00 54.58 52.79 3hig n ASN 656 Cb 0.33 -0.03 0.01 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.82 -3.54 -4.81 0.53 5.15 -0.68 -4.86 115.26 106.24 3hig n ASN 657 Ca 0.21 -1.20 -0.32 0.00 -0.60 0.00 0.00 54.58 52.67 3hig n ASN 657 Cb 0.18 -2.22 0.01 0.00 -0.53 0.00 0.00 39.78 37.22 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 -6.98 3.31 0.13 1.20 2.02 -1.26 -4.42 118.70 112.68 3hig s GLU 658 Ca 0.39 1.16 -0.31 0.00 0.02 0.00 0.00 54.97 56.24 3hig s GLU 658 Cb -0.19 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 3hig s GLU 658 CO 0.94 -0.82 1.50 1.21 0.02 0.00 0.00 175.26 178.11 3hig s ASN 659 N -2.91 6.70 -0.18 -0.19 3.84 -1.26 -1.14 114.94 119.79 3hig s ASN 659 Ca 0.63 2.46 0.13 0.00 0.21 0.00 0.00 52.86 56.29 3hig s ASN 659 Cb -0.15 -2.59 0.38 0.00 -0.55 0.00 0.00 41.25 38.34 3hig s ASN 659 CO 0.39 -0.76 1.20 2.30 -2.79 0.00 0.00 177.10 177.44 3hig n ILE 660 N 4.07 2.09 -3.06 -5.21 -5.35 0.33 -4.90 119.36 107.32 3hig n ILE 660 Ca 0.13 -2.93 -0.40 0.00 -0.27 0.00 0.00 62.75 59.28 3hig n ILE 660 Cb 0.40 -0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.02 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 -3.09 4.20 -1.14 6.28 2.02 -1.26 -4.38 118.70 121.34 3hig s GLU 661 Ca 0.36 0.69 -0.13 0.00 0.02 0.00 0.00 54.97 55.91 3hig s GLU 661 Cb 0.34 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 3hig s GLU 661 CO -0.04 -0.31 0.82 0.09 0.02 0.00 0.00 175.26 175.84 3hig n ASN 662 N 5.28 -5.11 -4.35 -0.19 3.02 -0.77 -5.00 115.26 108.15 3hig n ASN 662 Ca 0.00 -0.89 -0.18 0.00 -0.03 0.00 0.00 54.58 53.48 3hig n ASN 662 Cb 0.49 -4.06 -0.10 0.00 -0.61 0.00 0.00 39.78 35.49 3hig n ASN 662 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hig s GLU 663 N -5.48 1.43 -0.50 3.52 2.56 -0.49 -4.75 118.70 114.99 3hig s GLU 663 Ca 0.40 -1.76 -0.28 0.00 0.00 0.00 0.00 54.97 53.33 3hig s GLU 663 Cb -0.11 -0.52 0.02 0.00 2.00 0.00 0.00 34.13 35.52 3hig s GLU 663 CO 0.82 -0.19 1.33 0.34 -0.56 0.00 0.00 175.26 176.99 3hig s ASP 664 N -3.34 6.34 0.14 -1.70 -1.08 -1.24 -0.50 116.67 115.29 3hig s ASP 664 Ca 0.34 0.47 0.03 0.00 -0.52 0.00 0.00 52.55 52.87 3hig s ASP 664 Cb 0.07 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.95 3hig s ASP 664 CO 0.12 -1.50 0.21 -0.76 0.52 0.00 0.00 175.17 173.77 3hig s LEU 665 N 5.38 4.12 -0.09 -1.34 1.43 -1.26 -0.63 118.68 126.29 3hig s LEU 665 Ca 0.53 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 3hig s LEU 665 Cb -0.10 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.42 3hig s LEU 665 CO 0.29 0.07 -0.09 -0.69 0.23 0.00 0.00 176.35 176.16 3hig s VAL 666 N -1.71 1.03 0.05 -1.59 1.01 0.23 -4.08 120.40 115.34 3hig s VAL 666 Ca 0.33 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 3hig s VAL 666 Cb -0.11 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 3hig s VAL 666 CO 0.26 0.35 0.53 0.00 0.00 0.00 0.00 175.10 176.24 3hig s ALA 667 N 1.19 3.62 -0.09 5.51 0.00 -0.22 -0.81 121.76 130.95 3hig s ALA 667 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.90 3hig s ALA 667 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.42 3hig s ALA 667 CO -0.02 0.42 -0.14 -1.58 0.00 0.00 0.00 175.76 174.43 3hig s TRP 668 N -1.07 1.78 -0.11 0.00 0.52 0.48 -0.35 118.94 120.17 3hig s TRP 668 Ca 0.28 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.66 3hig s TRP 668 Cb -0.19 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 3hig s TRP 668 CO 0.17 -0.40 -0.22 0.08 0.02 0.00 0.00 176.95 176.61 3hig s VAL 669 N 0.86 1.99 -0.24 4.03 1.01 -0.45 -1.45 120.40 126.16 3hig s VAL 669 Ca -0.10 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 3hig s VAL 669 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3hig s VAL 669 CO 0.01 0.54 0.09 -0.89 0.00 0.00 0.00 175.10 174.85 3hig s THR 670 N 0.58 4.66 0.20 3.92 2.01 -0.60 -0.54 115.64 125.87 3hig s THR 670 Ca -0.13 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 61.90 3hig s THR 670 Cb -0.17 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3hig s THR 670 CO 0.04 0.35 -0.19 0.68 -0.69 0.00 0.00 174.62 174.82 3hig s VAL 671 N 1.29 2.02 -1.87 3.82 -7.23 -0.47 -4.61 120.40 113.35 3hig s VAL 671 Ca 0.05 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3hig s VAL 671 Cb -0.15 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3hig s VAL 671 CO 0.04 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 3hig n GLY 672 N -0.04 -1.49 3.61 2.32 0.00 -1.26 -0.08 105.19 108.24 3hig n GLY 672 Ca -0.10 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.59 -0.60 0.07 1.61 -0.12 -0.46 -0.59 117.98 115.30 3hig s PHE 673 Ca 0.00 1.36 -0.31 0.00 -0.05 0.00 0.00 56.93 57.93 3hig s PHE 673 Cb 0.00 0.35 -0.07 0.00 -0.63 0.00 0.00 43.02 42.67 3hig s PHE 673 CO 0.00 -0.36 1.32 -1.17 -0.05 0.00 0.00 175.22 174.96 3hig s LEU 674 N -0.11 4.36 -0.28 -1.99 2.96 -1.26 -0.89 118.68 121.46 3hig s LEU 674 Ca -0.01 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.08 3hig s LEU 674 Cb -0.04 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.13 3hig s LEU 674 CO -0.00 -0.59 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.09 3hig s HIS 675 N 1.31 3.28 -0.41 5.38 5.65 0.27 -4.97 115.29 125.80 3hig s HIS 675 Ca 0.62 -2.16 -0.15 0.00 0.25 0.00 0.00 55.06 53.62 3hig s HIS 675 Cb -0.33 -2.02 0.02 0.00 -1.18 0.00 0.00 32.58 29.07 3hig s HIS 675 CO 0.29 -0.85 0.31 0.42 -0.65 0.00 0.00 174.74 174.26 3hig s ILE 676 N 1.16 5.25 0.75 0.89 1.01 -1.26 -2.21 121.20 126.79 3hig s ILE 676 Ca -0.07 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3hig s ILE 676 Cb -0.20 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.40 3hig s ILE 676 CO -0.03 -0.30 1.20 -2.84 0.00 0.00 0.00 174.94 172.97 3hig s PRO 677 N 1.73 2.00 0.17 2.79 0.02 -1.26 -5.04 135.00 135.41 3hig s PRO 677 Ca 0.06 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 3hig s PRO 677 Cb -0.19 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3hig s PRO 677 CO 0.10 -1.93 0.23 -3.38 -0.33 0.00 0.00 177.00 171.69 3hig s HIS 678 N -2.07 0.59 0.54 6.54 -3.43 -1.26 -4.58 115.29 111.62 3hig s HIS 678 Ca 0.73 -0.94 0.21 0.00 -0.80 0.00 0.00 55.06 54.27 3hig s HIS 678 Cb -0.28 -0.19 1.45 0.00 -1.43 0.00 0.00 32.58 32.13 3hig s HIS 678 CO 0.47 -0.69 2.16 0.66 -2.00 0.00 0.00 174.74 175.34 3hig h SER 679 N 2.60 0.00 0.56 7.38 4.64 -1.90 0.46 113.55 127.28 3hig h SER 679 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 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 0.50 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.84 3hig n GLU 680 N -4.30 0.18 0.00 4.77 4.71 -1.26 -1.69 120.64 123.05 3hig n GLU 680 Ca -0.02 0.47 0.09 0.00 -0.01 0.00 0.00 57.16 57.69 3hig n GLU 680 Cb 0.14 -1.89 0.52 0.00 -1.01 0.00 0.00 31.44 29.20 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 -2.24 0.00 -4.60 1.62 8.00 0.15 -4.72 116.55 114.76 3hig n ASP 681 Ca 0.01 -0.57 -0.37 0.00 0.71 0.00 0.00 54.79 54.58 3hig n ASP 681 Cb 0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.00 5.04 -0.24 0.53 -1.09 -0.68 -1.79 121.20 120.97 3hig s ILE 682 Ca 0.26 0.07 0.18 0.00 -2.23 0.00 0.00 60.65 58.94 3hig s ILE 682 Cb 0.12 -3.35 0.09 0.00 -1.58 0.00 0.00 42.46 37.74 3hig s ILE 682 CO 0.20 0.34 1.32 1.55 -1.23 0.00 0.00 174.94 177.12 3hig h PRO 683 N 7.74 0.00 -5.30 2.79 0.13 -1.84 -3.50 132.00 132.02 3hig h PRO 683 Ca -0.37 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.36 3hig h PRO 683 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 3hig h PRO 683 CO 0.62 0.26 -0.77 -0.80 -0.23 0.00 0.00 178.00 177.08 3hig s ASN 684 N -6.12 1.64 0.36 1.44 0.02 -0.74 -4.60 114.94 106.94 3hig s ASN 684 Ca 0.03 -0.63 -0.27 0.00 -1.02 0.00 0.00 52.86 50.96 3hig s ASN 684 Cb 0.07 -0.04 -0.09 0.00 0.02 0.00 0.00 41.25 41.21 3hig s ASN 684 CO 0.74 -0.09 1.25 0.42 0.02 0.00 0.00 177.10 179.45 3hig s THR 685 N -1.36 2.87 0.26 1.60 -4.23 -0.17 -4.46 115.64 110.16 3hig s THR 685 Ca -0.02 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 3hig s THR 685 Cb -0.10 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 3hig s THR 685 CO 0.02 0.16 0.22 0.00 -0.54 0.00 0.00 174.62 174.48 3hig s ALA 686 N -1.22 3.64 0.22 3.99 0.00 -1.26 -3.52 121.76 123.61 3hig s ALA 686 Ca 0.52 -1.45 0.09 0.00 0.00 0.00 0.00 51.96 51.12 3hig s ALA 686 Cb -0.37 -1.30 0.19 0.00 0.00 0.00 0.00 23.12 21.64 3hig s ALA 686 CO 0.48 0.21 1.51 1.79 0.00 0.00 0.00 175.76 179.75 3hig h THR 687 N 1.44 1.52 -2.69 0.00 1.35 -1.92 -3.42 112.91 109.19 3hig h THR 687 Ca -0.48 -2.51 -0.52 0.00 -0.55 0.00 0.00 66.41 62.34 3hig h THR 687 Cb 1.24 2.36 0.05 0.00 -1.73 0.00 0.00 68.15 70.07 3hig h THR 687 CO 0.60 0.72 0.99 -2.84 -0.25 0.00 0.00 175.52 174.74 3hig s PRO 688 N -3.33 4.16 0.00 4.72 0.02 -1.26 -0.64 135.00 138.66 3hig s PRO 688 Ca -0.01 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3hig s PRO 688 Cb 0.12 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.42 3hig s PRO 688 CO 0.78 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 3hig n GLY 689 N 3.96 0.45 2.31 0.52 0.00 -1.26 -4.87 105.19 106.30 3hig n GLY 689 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.12 5.81 -4.25 1.61 3.02 0.19 -5.00 115.26 116.52 3hig n ASN 690 Ca 0.00 -3.76 -0.21 0.00 -0.03 0.00 0.00 54.58 50.58 3hig n ASN 690 Cb 0.06 -0.60 -0.12 0.00 -0.61 0.00 0.00 39.78 38.51 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 -2.88 2.23 0.10 6.41 1.04 -1.26 -2.61 113.70 116.72 3hig s SER 691 Ca 0.53 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3hig s SER 691 Cb 0.43 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3hig s SER 691 CO -0.08 -0.03 0.03 0.68 0.98 0.00 0.00 173.24 174.81 3hig s VAL 692 N -1.50 0.15 -4.47 5.02 -7.23 -0.82 -4.93 120.40 106.61 3hig s VAL 692 Ca 0.06 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3hig s VAL 692 Cb -0.08 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.01 3hig s VAL 692 CO 0.04 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 3hig n GLY 693 N -0.02 -0.51 3.37 2.32 0.00 -0.38 -0.78 105.19 109.19 3hig n GLY 693 Ca -0.09 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.00 -0.28 0.04 1.61 -0.12 -0.44 -0.11 117.98 114.68 3hig s PHE 694 Ca 0.00 -0.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.93 3hig s PHE 694 Cb 0.00 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 3hig s PHE 694 CO 0.00 -0.77 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.76 3hig s LEU 695 N -2.80 2.86 -0.21 -1.99 1.02 0.65 -0.58 118.68 117.63 3hig s LEU 695 Ca 0.03 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 3hig s LEU 695 Cb 0.01 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.55 3hig s LEU 695 CO -0.11 0.25 -0.09 -0.76 0.02 0.00 0.00 176.35 175.66 3hig s LEU 696 N -1.59 2.69 -0.01 1.79 1.43 0.32 -0.98 118.68 122.32 3hig s LEU 696 Ca 0.17 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3hig s LEU 696 Cb -0.11 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3hig s LEU 696 CO 0.08 -0.02 -0.11 0.00 0.23 0.00 0.00 176.35 176.52 3hig s ARG 697 N 1.41 0.93 0.42 1.70 1.70 -0.08 -1.24 118.95 123.78 3hig s ARG 697 Ca 0.05 -0.39 -0.25 0.00 -0.47 0.00 0.00 55.73 54.67 3hig s ARG 697 Cb -0.14 -0.89 -0.08 0.00 -0.57 0.00 0.00 34.95 33.26 3hig s ARG 697 CO -0.06 0.22 1.25 -1.25 -1.08 0.00 0.00 175.30 174.38 3hig s PRO 698 N -0.19 3.93 -0.29 3.89 0.04 -1.26 0.01 135.00 141.13 3hig s PRO 698 Ca 0.03 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 3hig s PRO 698 Cb -0.05 -2.68 0.11 0.00 0.04 0.00 0.00 34.50 31.93 3hig s PRO 698 CO -0.00 -0.48 0.20 0.12 0.04 0.00 0.00 177.00 176.87 3hig s PHE 699 N -1.33 0.00 -1.58 0.56 5.36 -0.06 -4.78 117.98 116.15 3hig s PHE 699 Ca 0.58 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 3hig s PHE 699 Cb -0.35 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 3hig s PHE 699 CO 0.44 -0.86 0.00 0.09 -1.46 0.00 0.00 175.22 173.43 3hig n ASN 700 N 5.28 -5.30 -0.02 6.13 3.02 -1.26 -1.72 115.26 121.39 3hig n ASN 700 Ca -0.04 0.37 -0.17 0.00 -0.03 0.00 0.00 54.58 54.70 3hig n ASN 700 Cb 0.44 -4.11 -0.08 0.00 -0.61 0.00 0.00 39.78 35.41 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 0.87 -3.03 3.10 3.04 -1.82 -3.34 116.94 115.76 3hig h PHE 701 Ca -0.31 -0.40 -0.62 0.00 3.98 0.00 0.00 57.97 60.62 3hig h PHE 701 Cb 1.14 -0.13 -0.12 0.00 2.56 0.00 0.00 35.95 39.41 3hig h PHE 701 CO 0.52 1.21 -0.66 -0.06 -2.02 0.00 0.00 178.31 177.30 3hig s PHE 702 N -3.62 2.87 0.35 0.41 0.40 -1.26 -4.88 117.98 112.26 3hig s PHE 702 Ca -0.12 -0.11 0.23 0.00 -0.60 0.00 0.00 56.93 56.33 3hig s PHE 702 Cb 0.07 -1.42 1.15 0.00 0.51 0.00 0.00 43.02 43.33 3hig s PHE 702 CO 0.87 0.50 1.96 -1.35 0.70 0.00 0.00 175.22 177.90 3hig h PRO 703 N 2.92 0.00 0.00 0.24 0.11 -2.00 -3.46 132.00 129.81 3hig h PRO 703 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3hig h PRO 703 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hig h PRO 703 CO 0.58 0.20 0.15 -0.85 -0.21 0.00 0.00 178.00 177.88 3hig n GLU 704 N -3.73 0.81 -1.53 1.05 0.28 -1.26 -4.97 120.64 111.28 3hig n GLU 704 Ca -0.01 -1.77 -0.49 0.00 -0.16 0.00 0.00 57.16 54.72 3hig n GLU 704 Cb 0.32 2.10 -0.06 0.00 1.43 0.00 0.00 31.44 35.23 3hig n GLU 704 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3hig n ASP 705 N -1.46 2.60 0.08 -1.84 2.03 -1.26 -4.85 116.55 111.85 3hig n ASP 705 Ca -0.05 0.52 0.10 0.00 0.52 0.00 0.00 54.79 55.87 3hig n ASP 705 Cb 0.45 -1.33 0.42 0.00 -0.72 0.00 0.00 41.12 39.94 3hig n ASP 705 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hig n PRO 706 N 7.85 0.12 0.00 -0.67 -0.04 -1.26 -1.33 135.00 139.67 3hig n PRO 706 Ca 0.35 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 3hig n PRO 706 Cb 0.27 -1.74 0.41 0.00 -0.04 0.00 0.00 33.50 32.41 3hig n PRO 706 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hig n SER 707 N -1.96 0.00 0.32 3.54 3.41 -1.26 -3.64 113.62 114.03 3hig n SER 707 Ca 0.02 0.31 0.20 0.00 -0.26 0.00 0.00 58.87 59.14 3hig n SER 707 Cb 0.19 -0.42 1.09 0.00 -0.26 0.00 0.00 64.21 64.81 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 0.00 1.04 3.38 -1.57 0.12 115.31 118.28 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hig h LEU 708 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3hig n ALA 709 N -2.18 1.94 -1.92 1.53 0.00 -1.24 -4.80 120.51 113.85 3hig n ALA 709 Ca -0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3hig n ALA 709 Cb 0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 3hig n ALA 709 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hig s SER 710 N -2.96 6.77 0.00 0.00 0.15 0.42 -4.92 113.70 113.16 3hig s SER 710 Ca 0.11 2.56 0.19 0.00 0.70 0.00 0.00 55.95 59.50 3hig s SER 710 Cb 0.13 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.34 3hig s SER 710 CO 0.36 -0.61 1.43 0.54 1.20 0.00 0.00 173.24 176.16 3hig n ARG 711 N 2.32 2.18 0.10 5.44 5.12 -1.26 -4.10 116.66 126.45 3hig n ARG 711 Ca 0.06 -1.81 0.13 0.00 -1.93 0.00 0.00 57.85 54.30 3hig n ARG 711 Cb 0.41 -1.43 0.37 0.00 -1.16 0.00 0.00 32.46 30.66 3hig n ARG 711 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3hig n ASP 712 N 0.99 0.79 -4.60 0.55 8.00 -1.26 -3.50 116.55 117.52 3hig n ASP 712 Ca 0.18 0.51 -0.47 0.00 0.71 0.00 0.00 54.79 55.72 3hig n ASP 712 Cb 0.46 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3hig n ASP 712 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hig n THR 713 N -2.23 1.20 -5.07 -3.53 -1.04 -1.26 -4.60 114.28 97.74 3hig n THR 713 Ca 0.05 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 3hig n THR 713 Cb 0.43 -1.03 -0.16 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.39 1.75 -0.10 12.58 1.01 -0.07 -4.27 120.40 130.90 3hig s VAL 714 Ca 0.68 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3hig s VAL 714 Cb -0.76 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3hig s VAL 714 CO 0.54 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 175.39 3hig s ILE 715 N -0.26 1.16 -0.20 2.22 1.01 -0.87 -1.04 121.20 123.22 3hig s ILE 715 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 3hig s ILE 715 Cb -0.11 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3hig s ILE 715 CO 0.01 0.38 0.10 -0.69 0.00 0.00 0.00 174.94 174.74 3hig s VAL 716 N 1.21 5.01 -0.02 2.92 1.01 0.53 0.00 120.40 131.07 3hig s VAL 716 Ca -0.04 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.06 3hig s VAL 716 Cb -0.14 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3hig s VAL 716 CO -0.03 0.42 -0.23 0.26 0.00 0.00 0.00 175.10 175.52 3hig s TRP 717 N 0.62 2.42 0.61 5.22 0.52 -0.05 -1.42 118.94 126.87 3hig s TRP 717 Ca 0.05 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 55.64 3hig s TRP 717 Cb -0.13 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 3hig s TRP 717 CO 0.01 0.03 1.09 -1.25 0.02 0.00 0.00 176.95 176.85 3hig s PRO 718 N -0.68 3.14 -0.04 4.98 0.04 -1.26 -0.68 135.00 140.50 3hig s PRO 718 Ca 0.11 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.53 3hig s PRO 718 Cb -0.10 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3hig s PRO 718 CO -0.00 -0.98 -0.10 1.03 0.04 0.00 0.00 177.00 176.99 3hig s ARG 719 N -3.89 1.22 0.14 4.56 0.52 -1.26 -4.75 118.95 115.49 3hig s ARG 719 Ca 0.67 -0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.23 3hig s ARG 719 Cb -0.19 -1.09 -0.11 0.00 0.52 0.00 0.00 34.95 34.08 3hig s ARG 719 CO 0.36 0.08 1.82 -0.51 0.02 0.00 0.00 175.30 177.07 3hig s ASP 720 N 0.39 6.41 -1.91 0.23 1.01 -1.26 -2.46 116.67 119.08 3hig s ASP 720 Ca -0.07 2.79 0.00 0.00 0.71 0.00 0.00 52.55 55.98 3hig s ASP 720 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3hig s ASP 720 CO 0.01 -1.00 0.00 0.59 0.21 0.00 0.00 175.17 174.98 3hig n ASN 721 N 5.35 -5.11 -3.41 0.27 3.02 -1.26 -4.95 115.26 109.16 3hig n ASN 721 Ca 0.17 0.35 -0.16 0.00 -0.03 0.00 0.00 54.58 54.92 3hig n ASN 721 Cb 0.37 -4.48 -0.06 0.00 -0.61 0.00 0.00 39.78 35.00 3hig n ASN 721 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hig s GLY 722 N -2.46 1.72 0.73 7.41 0.00 -1.03 -5.16 107.32 108.53 3hig s GLY 722 Ca 0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 44.72 42.92 3hig s GLY 722 CO 0.00 -1.18 1.08 2.56 0.00 0.00 0.00 173.10 175.57 3hig s PRO 723 N -3.33 2.58 0.75 2.90 0.04 -1.26 -4.52 135.00 132.14 3hig s PRO 723 Ca 0.34 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.39 3hig s PRO 723 Cb 0.01 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.66 3hig s PRO 723 CO 0.21 -1.39 1.13 -0.80 0.04 0.00 0.00 177.00 176.19 3hig s ASN 724 N -3.37 4.42 -0.34 6.66 0.01 -1.26 -4.38 114.94 116.69 3hig s ASN 724 Ca 0.61 2.03 -0.16 0.00 -0.71 0.00 0.00 52.86 54.63 3hig s ASN 724 Cb -0.17 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 3hig s ASN 724 CO 0.53 -2.09 0.42 -0.47 -1.51 0.00 0.00 177.10 173.97 3hig s TYR 725 N -2.51 3.20 -0.59 2.20 5.04 0.14 -4.93 117.35 119.91 3hig s TYR 725 Ca 0.66 0.10 -0.21 0.00 -2.44 0.00 0.00 57.07 55.18 3hig s TYR 725 Cb -0.21 -2.75 0.07 0.00 0.35 0.00 0.00 41.96 39.43 3hig s TYR 725 CO 0.49 -0.45 0.81 0.08 -1.34 0.00 0.00 175.55 175.15 3hig s VAL 726 N 2.15 4.60 -0.10 3.14 1.01 -1.26 -0.87 120.40 129.08 3hig s VAL 726 Ca 0.14 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 3hig s VAL 726 Cb -0.16 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3hig s VAL 726 CO 0.12 -1.17 0.73 -1.58 0.00 0.00 0.00 175.10 173.20 3hig s GLN 727 N 3.31 4.39 0.11 2.72 0.74 0.10 -4.97 119.66 126.06 3hig s GLN 727 Ca 0.18 0.89 0.03 0.00 0.05 0.00 0.00 55.36 56.52 3hig s GLN 727 Cb -0.19 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 3hig s GLN 727 CO 0.10 -0.05 -0.09 1.03 -0.55 0.00 0.00 175.29 175.73 3hig s ARG 728 N 1.19 0.90 0.00 1.67 0.52 -1.26 -2.04 118.95 119.93 3hig s ARG 728 Ca 0.37 -1.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 3hig s ARG 728 Cb -0.17 -0.46 0.01 0.00 0.52 0.00 0.00 34.95 34.84 3hig s ARG 728 CO 0.16 0.05 0.52 0.91 0.02 0.00 0.00 175.30 176.97 3hig n TRP 729 N 0.17 0.00 -3.83 -0.53 8.01 -1.25 -4.98 117.44 115.02 3hig n TRP 729 Ca -0.13 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.93 3hig n TRP 729 Cb 0.59 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.75 3hig n TRP 729 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3hig s ILE 730 N -0.06 -0.01 0.63 -0.99 1.01 -1.23 -4.96 121.20 115.58 3hig s ILE 730 Ca 0.01 0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 3hig s ILE 730 Cb 0.01 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 3hig s ILE 730 CO 0.01 0.02 1.15 -2.16 0.00 0.00 0.00 174.94 173.96 3hig s PRO 731 N 0.28 2.87 0.23 2.79 0.04 -1.26 -4.92 135.00 135.02 3hig s PRO 731 Ca -0.02 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.32 3hig s PRO 731 Cb -0.03 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 3hig s PRO 731 CO -0.01 -1.24 1.68 -1.91 0.04 0.00 0.00 177.00 175.56 3hig n GLU 732 N -1.99 2.70 -3.94 4.56 2.13 -1.26 -4.98 120.64 117.87 3hig n GLU 732 Ca 0.12 0.97 -0.35 0.00 0.66 0.00 0.00 57.16 58.56 3hig n GLU 732 Cb 0.51 -2.79 -0.10 0.00 0.27 0.00 0.00 31.44 29.32 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 0.97 5.63 -0.05 4.31 2.15 -1.26 -4.95 116.67 123.47 3hig s ASP 733 Ca 0.73 0.05 0.08 0.00 0.43 0.00 0.00 52.55 53.83 3hig s ASP 733 Cb -0.52 -1.98 0.12 0.00 -0.30 0.00 0.00 42.92 40.24 3hig s ASP 733 CO 0.37 0.14 1.02 0.54 -0.17 0.00 0.00 175.17 177.06 3hig n ARG 734 N 3.79 0.74 -1.16 4.34 1.74 -1.26 -5.11 116.66 119.75 3hig n ARG 734 Ca -0.16 -1.63 -0.29 0.00 -0.77 0.00 0.00 57.85 54.99 3hig n ARG 734 Cb 0.52 -0.94 0.15 0.00 -1.02 0.00 0.00 32.46 31.17 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 -1.67 3.13 0.08 0.55 1.01 -1.26 -5.06 116.67 113.44 3hig s ASP 735 Ca 0.13 1.42 0.04 0.00 0.71 0.00 0.00 52.55 54.85 3hig s ASP 735 Cb 0.11 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 3hig s ASP 735 CO 0.01 -2.85 -0.12 0.00 0.21 0.00 0.00 175.17 172.43 3hig s SER 737 N -1.94 -0.21 0.01 0.00 1.04 -1.26 -4.84 113.70 106.50 3hig s SER 737 Ca -0.01 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 55.79 3hig s SER 737 Cb -0.08 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3hig s SER 737 CO 0.01 -1.19 -0.13 -0.04 0.98 0.00 0.00 173.24 172.87 3hig s MET 738 N -3.94 1.01 0.72 4.02 -1.94 -1.26 -4.90 119.30 113.01 3hig s MET 738 Ca 0.14 -0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 53.45 3hig s MET 738 Cb -0.03 -0.98 0.02 0.00 2.01 0.00 0.00 34.83 35.85 3hig s MET 738 CO 0.05 0.26 1.11 -1.25 -0.01 0.00 0.00 175.02 175.17 3hig s PRO 739 N -0.57 2.71 0.73 2.03 0.04 -1.26 -5.03 135.00 133.65 3hig s PRO 739 Ca 0.04 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.39 3hig s PRO 739 Cb -0.06 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3hig s PRO 739 CO 0.00 -1.14 1.12 -2.14 0.04 0.00 0.00 177.00 174.89 3hig s PRO 740 N -5.36 2.32 0.63 0.56 0.02 -1.26 -4.96 135.00 126.95 3hig s PRO 740 Ca 0.59 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.82 3hig s PRO 740 Cb -0.11 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3hig s PRO 740 CO 0.52 -1.62 1.19 -2.30 -0.33 0.00 0.00 177.00 174.45 3hig n PRO 741 N -3.01 1.07 -1.74 5.54 -0.02 -1.26 -4.91 135.00 130.67 3hig n PRO 741 Ca 0.11 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3hig n PRO 741 Cb 0.52 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3hig n PRO 741 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hig s PHE 742 N -1.42 2.80 0.10 6.00 5.36 -1.26 -5.03 117.98 124.52 3hig s PHE 742 Ca 0.80 0.58 0.02 0.00 -0.96 0.00 0.00 56.93 57.37 3hig s PHE 742 Cb -0.39 -4.12 -0.04 0.00 -0.34 0.00 0.00 43.02 38.13 3hig s PHE 742 CO 0.43 -3.96 -0.06 -1.54 -1.46 0.00 0.00 175.22 168.63 3hig s SER 743 N 0.79 1.09 -0.21 6.13 1.04 -1.26 -5.16 113.70 116.11 3hig s SER 743 Ca 0.68 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 3hig s SER 743 Cb -0.49 0.10 0.06 0.00 0.10 0.00 0.00 66.02 65.80 3hig s SER 743 CO 0.42 -0.48 0.53 -0.47 0.98 0.00 0.00 173.24 174.22 3hig s TYR 744 N -3.65 -0.71 -0.17 5.02 5.04 -1.26 -4.68 117.35 116.94 3hig s TYR 744 Ca 0.12 1.56 -0.16 0.00 -2.44 0.00 0.00 57.07 56.14 3hig s TYR 744 Cb 0.06 0.33 -0.05 0.00 0.35 0.00 0.00 41.96 42.64 3hig s TYR 744 CO -0.05 -0.36 -0.31 -1.71 -1.34 0.00 0.00 175.55 171.78 3hig n ASN 745 N 3.67 1.91 0.00 4.32 2.85 -1.26 -5.02 115.26 121.72 3hig n ASN 745 Ca -0.18 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 3hig n ASN 745 Cb 0.57 -0.77 0.00 0.00 1.24 0.00 0.00 39.78 40.81 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 1.50 1.15 3.67 8.20 0.00 -1.26 -5.04 105.19 113.41 3hig n GLY 746 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.28 3.70 -0.18 2.61 -4.23 -1.26 -5.04 115.64 108.96 3hig s THR 747 Ca 0.00 -1.60 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 3hig s THR 747 Cb 0.00 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 71.01 3hig s THR 747 CO 0.00 -0.23 0.30 -0.72 -0.54 0.00 0.00 174.62 173.42 3hig s TYR 748 N -1.99 -0.52 0.07 3.99 -0.85 -1.26 -4.62 117.35 112.18 3hig s TYR 748 Ca 0.29 0.79 -0.12 0.00 -0.52 0.00 0.00 57.07 57.51 3hig s TYR 748 Cb -0.08 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.20 3hig s TYR 748 CO 0.20 -0.52 0.28 1.03 -1.52 0.00 0.00 175.55 175.02 3hig s ARG 749 N 2.44 0.86 0.72 -3.49 1.81 -1.05 -4.80 118.95 115.44 3hig s ARG 749 Ca 0.05 -0.68 -0.16 0.00 -1.72 0.00 0.00 55.73 53.22 3hig s ARG 749 Cb -0.14 0.37 0.02 0.00 -0.45 0.00 0.00 34.95 34.75 3hig s ARG 749 CO -0.12 -0.29 1.12 -2.30 -0.68 0.00 0.00 175.30 173.03 3hig n PRO 750 N 0.25 0.62 0.00 3.54 -0.02 -1.25 -0.92 135.00 137.22 3hig n PRO 750 Ca -0.17 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3hig n PRO 750 Cb 0.61 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3hig n PRO 750 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76