#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hii h LYS 29 N 0.00 0.00 0.00 2.89 1.57 -2.01 -3.19 116.57 115.83 3hii h LYS 29 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hii h LYS 29 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hii h LYS 29 CO 0.00 0.36 0.24 0.00 -0.57 0.00 0.00 179.45 179.48 3hii h ALA 30 N 1.64 1.23 -0.81 3.86 0.00 -1.97 -1.80 119.26 121.40 3hii h ALA 30 Ca -0.00 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 3hii h ALA 30 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3hii h ALA 30 CO 0.05 -0.23 0.58 0.78 0.00 0.00 0.00 179.25 180.43 3hii h GLY 31 N 0.00 0.04 1.17 0.00 0.00 -1.94 -0.34 103.07 102.00 3hii h GLY 31 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.43 3hii h GLY 31 CO 0.00 -0.00 0.31 -0.24 0.00 0.00 0.00 176.54 176.61 3hii h VAL 32 N 0.02 0.82 -0.02 4.60 3.04 -1.61 -1.45 116.25 121.65 3hii h VAL 32 Ca 0.39 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 3hii h VAL 32 Cb 1.53 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3hii h VAL 32 CO -0.01 0.01 -0.00 0.49 -1.01 0.00 0.00 177.57 177.05 3hii n PHE 33 N -4.43 0.00 -2.82 3.17 3.72 -0.14 -4.83 117.46 112.12 3hii n PHE 33 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.13 3hii n PHE 33 Cb 0.46 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.93 3hii n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hii s SER 34 N -2.00 7.09 0.87 4.37 1.04 -0.55 -4.52 113.70 120.00 3hii s SER 34 Ca 0.35 1.72 -0.11 0.00 0.48 0.00 0.00 55.95 58.40 3hii s SER 34 Cb 0.21 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.90 3hii s SER 34 CO 0.33 -0.23 1.09 -1.81 0.98 0.00 0.00 173.24 173.60 3hii s ASP 35 N -1.96 3.64 0.27 7.02 1.01 -1.26 -4.90 116.67 120.49 3hii s ASP 35 Ca 0.57 1.61 -0.29 0.00 0.71 0.00 0.00 52.55 55.14 3hii s ASP 35 Cb -0.13 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 3hii s ASP 35 CO 0.17 -2.55 1.25 -0.76 0.21 0.00 0.00 175.17 173.50 3hii s LEU 36 N -6.19 4.45 0.98 1.23 1.43 -1.26 -5.00 118.68 114.33 3hii s LEU 36 Ca 0.63 2.47 -0.14 0.00 -1.03 0.00 0.00 54.13 56.06 3hii s LEU 36 Cb -0.18 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 42.59 3hii s LEU 36 CO 0.57 -0.43 1.14 -0.94 0.23 0.00 0.00 176.35 176.91 3hii s SER 37 N -0.26 2.84 0.20 2.29 1.04 -1.26 -4.76 113.70 113.79 3hii s SER 37 Ca 0.51 0.91 -0.11 0.00 0.48 0.00 0.00 55.95 57.74 3hii s SER 37 Cb -0.36 -1.43 0.23 0.00 0.10 0.00 0.00 66.02 64.56 3hii s SER 37 CO 0.44 -2.97 1.75 -1.13 0.98 0.00 0.00 173.24 172.31 3hii h ASN 38 N -1.78 0.20 -0.24 7.02 -1.24 -1.95 -0.61 115.58 116.97 3hii h ASN 38 Ca -0.50 0.07 0.02 0.00 0.71 0.00 0.00 56.30 56.59 3hii h ASN 38 Cb 1.32 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 3hii h ASN 38 CO 0.55 0.13 0.11 1.56 -1.29 0.00 0.00 177.43 178.49 3hii h GLN 39 N 0.38 0.23 -0.75 6.67 7.50 -1.96 -1.27 115.11 125.90 3hii h GLN 39 Ca 0.27 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.36 3hii h GLN 39 Cb 0.32 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.77 3hii h GLN 39 CO -0.28 0.15 0.27 0.93 -1.50 0.00 0.00 178.83 178.40 3hii h GLU 40 N 0.23 1.15 -0.16 1.46 5.08 -1.85 -0.49 114.58 120.00 3hii h GLU 40 Ca 0.10 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3hii h GLU 40 Cb 0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3hii h GLU 40 CO -0.08 0.95 0.09 -0.07 -1.00 0.00 0.00 179.01 178.90 3hii h LEU 41 N 1.10 0.20 -1.10 1.33 3.38 -0.77 -0.48 115.31 118.97 3hii h LEU 41 Ca 0.25 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3hii h LEU 41 Cb 0.26 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3hii h LEU 41 CO -0.01 0.23 0.61 0.11 0.09 0.00 0.00 178.44 179.46 3hii h LYS 42 N 0.16 1.04 -0.56 1.13 1.57 -1.13 -1.40 116.57 117.38 3hii h LYS 42 Ca 0.06 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3hii h LYS 42 Cb 0.07 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3hii h LYS 42 CO -0.01 0.69 0.05 0.00 -0.57 0.00 0.00 179.45 179.61 3hii h ALA 43 N 1.49 0.75 -0.36 3.86 0.00 -0.48 0.74 119.26 125.26 3hii h ALA 43 Ca 0.40 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3hii h ALA 43 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hii h ALA 43 CO -0.16 0.53 -0.32 0.28 0.00 0.00 0.00 179.25 179.58 3hii h VAL 44 N 0.84 1.28 -0.32 0.00 2.07 -0.82 -2.29 116.25 117.01 3hii h VAL 44 Ca 0.17 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3hii h VAL 44 Cb 0.47 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3hii h VAL 44 CO 0.02 0.49 0.12 -0.74 0.02 0.00 0.00 177.57 177.48 3hii h HIS 45 N 0.64 0.50 -0.20 1.57 6.17 -1.16 -2.31 115.15 120.35 3hii h HIS 45 Ca 0.06 -0.04 0.02 0.00 0.71 0.00 0.00 60.37 61.12 3hii h HIS 45 Cb 0.90 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.66 3hii h HIS 45 CO 0.07 0.49 0.05 1.03 0.71 0.00 0.00 177.93 180.28 3hii h SER 46 N 0.37 0.04 -0.35 3.26 0.87 -0.83 -0.94 113.55 115.97 3hii h SER 46 Ca 0.11 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 3hii h SER 46 Cb 0.20 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 3hii h SER 46 CO -0.01 0.05 0.06 0.15 -0.53 0.00 0.00 176.83 176.55 3hii h PHE 47 N 0.14 0.09 -0.54 2.24 3.57 -1.31 -0.20 116.94 120.94 3hii h PHE 47 Ca 0.09 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3hii h PHE 47 Cb 0.07 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3hii h PHE 47 CO -0.13 0.00 0.02 -0.07 -2.23 0.00 0.00 178.31 175.90 3hii h LEU 48 N 0.17 0.92 -1.71 0.59 3.38 -1.26 -2.71 115.31 114.68 3hii h LEU 48 Ca 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3hii h LEU 48 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hii h LEU 48 CO -0.23 0.99 -0.15 -0.50 0.09 0.00 0.00 178.44 178.63 3hii h TRP 49 N 0.82 0.00 0.00 1.13 4.06 -0.66 -2.18 115.95 119.12 3hii h TRP 49 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 3hii h TRP 49 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 3hii h TRP 49 CO 0.04 0.15 0.00 -1.13 -3.56 0.00 0.00 178.44 173.94 3hii n SER 50 N -3.60 0.48 -4.47 -3.49 3.41 -0.13 -4.44 113.62 101.38 3hii n SER 50 Ca -0.01 0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 58.75 3hii n SER 50 Cb 0.29 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 3hii n SER 50 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hii s LYS 51 N -3.15 3.29 0.44 4.33 1.02 -0.82 -4.90 119.74 119.96 3hii s LYS 51 Ca 0.08 -1.08 0.17 0.00 0.02 0.00 0.00 55.97 55.16 3hii s LYS 51 Cb 0.12 -4.51 1.03 0.00 -0.52 0.00 0.00 37.83 33.94 3hii s LYS 51 CO 0.44 -1.86 1.96 1.57 -0.92 0.00 0.00 175.35 176.54 3hii h LYS 52 N 9.42 0.00 0.00 1.68 5.09 -1.85 -2.19 116.57 128.72 3hii h LYS 52 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.62 3hii h LYS 52 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.38 3hii h LYS 52 CO 1.19 0.22 0.00 -0.85 -2.09 0.00 0.00 179.45 177.92 3hii n GLU 53 N -4.08 0.18 0.22 0.07 0.00 -1.26 -2.03 120.64 113.73 3hii n GLU 53 Ca -0.02 0.46 0.14 0.00 0.00 0.00 0.00 57.16 57.73 3hii n GLU 53 Cb 0.29 -1.87 0.42 0.00 0.00 0.00 0.00 31.44 30.28 3hii n GLU 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hii h LEU 54 N 0.00 0.00 -1.03 -1.84 3.38 -1.74 -3.47 115.31 110.61 3hii h LEU 54 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3hii h LEU 54 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hii h LEU 54 CO 0.00 0.00 -0.76 0.54 0.09 0.00 0.00 178.44 178.31 3hii n ARG 55 N -2.90 -5.48 -2.20 1.13 1.74 -0.86 -4.74 116.66 103.34 3hii n ARG 55 Ca 0.03 0.60 -0.39 0.00 -0.77 0.00 0.00 57.85 57.32 3hii n ARG 55 Cb 0.41 -5.47 -0.02 0.00 -1.02 0.00 0.00 32.46 26.37 3hii n ARG 55 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hii s LEU 56 N -7.25 4.23 0.12 0.55 1.43 -1.26 -4.11 118.68 112.38 3hii s LEU 56 Ca 0.63 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 56.23 3hii s LEU 56 Cb -0.31 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 3hii s LEU 56 CO 0.83 -0.71 -0.09 -1.10 0.23 0.00 0.00 176.35 175.51 3hii s GLN 57 N -2.21 0.93 0.70 1.70 -0.21 0.65 -4.98 119.66 116.24 3hii s GLN 57 Ca 0.56 -1.35 -0.16 0.00 0.02 0.00 0.00 55.36 54.42 3hii s GLN 57 Cb -0.34 -0.42 0.02 0.00 1.00 0.00 0.00 33.01 33.27 3hii s GLN 57 CO 0.43 0.03 1.24 -2.14 -2.12 0.00 0.00 175.29 172.73 3hii s PRO 58 N -3.64 2.29 0.43 2.91 0.02 -1.26 -4.41 135.00 131.34 3hii s PRO 58 Ca 0.13 1.88 0.15 0.00 0.02 0.00 0.00 61.00 63.18 3hii s PRO 58 Cb 0.03 -1.84 1.05 0.00 0.02 0.00 0.00 34.50 33.76 3hii s PRO 58 CO -0.02 -1.75 1.94 0.66 -0.33 0.00 0.00 177.00 177.50 3hii h SER 59 N 0.03 0.38 0.99 2.53 4.64 -1.89 -2.69 113.55 117.53 3hii h SER 59 Ca -0.49 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hii h SER 59 Cb 1.31 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hii h SER 59 CO 0.51 0.21 0.00 -1.54 -0.87 0.00 0.00 176.83 175.14 3hii n SER 60 N -4.47 0.58 -4.70 4.97 3.41 -1.26 -4.45 113.62 107.70 3hii n SER 60 Ca 0.13 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.92 3hii n SER 60 Cb 0.48 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 3hii n SER 60 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hii s THR 61 N -3.18 2.95 -1.21 6.66 2.01 -1.02 -4.87 115.64 116.99 3hii s THR 61 Ca 0.08 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 3hii s THR 61 Cb 0.11 -3.34 0.14 0.00 0.01 0.00 0.00 72.50 69.43 3hii s THR 61 CO 0.46 0.01 2.34 0.35 -0.69 0.00 0.00 174.62 177.10 3hii n THR 62 N 4.44 5.19 -3.92 -0.82 -2.24 -1.26 -4.80 114.28 110.88 3hii n THR 62 Ca 0.15 -4.43 -0.10 0.00 -2.27 0.00 0.00 64.05 57.40 3hii n THR 62 Cb 0.40 -1.96 -0.11 0.00 -2.10 0.00 0.00 70.33 66.56 3hii n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hii s THR 63 N -1.68 0.09 -0.44 4.28 -1.32 -1.26 -4.98 115.64 110.33 3hii s THR 63 Ca 0.53 -0.75 0.23 0.00 -1.21 0.00 0.00 61.69 60.49 3hii s THR 63 Cb 0.20 -0.34 0.18 0.00 -1.51 0.00 0.00 72.50 71.03 3hii s THR 63 CO -0.11 -0.41 1.41 0.24 -2.21 0.00 0.00 174.62 173.53 3hii h MET 64 N 4.54 0.00 -2.83 7.08 0.00 -1.87 -3.39 114.93 118.44 3hii h MET 64 Ca -0.31 0.00 -0.72 0.00 0.00 0.00 0.00 59.70 58.67 3hii h MET 64 Cb 1.20 0.00 -0.09 0.00 0.00 0.00 0.00 31.60 32.71 3hii h MET 64 CO 0.41 0.00 2.75 0.00 0.00 0.00 0.00 176.91 180.07 3hii n ALA 65 N -2.05 6.83 -2.64 6.32 0.00 -1.25 -4.50 120.51 123.23 3hii n ALA 65 Ca 0.03 -3.97 -0.09 0.00 0.00 0.00 0.00 53.44 49.41 3hii n ALA 65 Cb 0.51 -2.96 -0.09 0.00 0.00 0.00 0.00 19.45 16.91 3hii n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3hii s LYS 66 N -0.09 0.66 -0.15 0.00 -2.85 -1.25 -4.33 119.74 111.73 3hii s LYS 66 Ca 0.56 -0.83 -0.12 0.00 -1.00 0.00 0.00 55.97 54.59 3hii s LYS 66 Cb 0.17 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 3hii s LYS 66 CO -0.08 -0.18 0.23 -0.80 0.10 0.00 0.00 175.35 174.62 3hii s ASN 67 N -2.37 6.40 -0.05 0.03 0.01 -1.26 -1.18 114.94 116.52 3hii s ASN 67 Ca -0.01 0.47 -0.15 0.00 -0.71 0.00 0.00 52.86 52.45 3hii s ASN 67 Cb 0.01 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.56 3hii s ASN 67 CO -0.06 0.20 0.35 0.42 -1.51 0.00 0.00 177.10 176.50 3hii s THR 68 N -0.00 0.04 -0.45 1.60 -4.23 -0.65 -0.25 115.64 111.69 3hii s THR 68 Ca 0.14 -0.31 -0.26 0.00 -1.18 0.00 0.00 61.69 60.09 3hii s THR 68 Cb -0.13 -0.61 0.03 0.00 1.34 0.00 0.00 72.50 73.13 3hii s THR 68 CO 0.03 -0.17 0.93 -0.69 -0.54 0.00 0.00 174.62 174.19 3hii s VAL 69 N -0.87 4.48 0.00 2.29 1.01 -1.26 -1.13 120.40 124.92 3hii s VAL 69 Ca -0.09 0.81 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 3hii s VAL 69 Cb -0.04 -4.43 -0.34 0.00 0.00 0.00 0.00 36.38 31.57 3hii s VAL 69 CO 0.04 -0.81 0.93 0.15 0.00 0.00 0.00 175.10 175.41 3hii h PHE 70 N 9.02 0.87 -3.03 5.22 3.57 -1.01 -3.44 116.94 128.15 3hii h PHE 70 Ca -0.24 -0.64 -0.17 0.00 3.53 0.00 0.00 57.97 60.46 3hii h PHE 70 Cb 1.08 -0.03 -0.27 0.00 2.79 0.00 0.00 35.95 39.51 3hii h PHE 70 CO 0.87 1.54 -0.42 -1.17 -2.23 0.00 0.00 178.31 176.90 3hii s LEU 71 N -7.62 0.73 -0.07 0.59 2.96 -1.18 -0.54 118.68 113.53 3hii s LEU 71 Ca -0.11 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3hii s LEU 71 Cb 0.04 0.91 0.02 0.00 0.50 0.00 0.00 46.19 47.65 3hii s LEU 71 CO 0.91 -0.12 -0.07 -0.63 -1.32 0.00 0.00 176.35 175.12 3hii s ILE 72 N 0.56 0.85 0.18 6.68 1.01 -0.90 -0.80 121.20 128.78 3hii s ILE 72 Ca -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 3hii s ILE 72 Cb -0.05 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 3hii s ILE 72 CO -0.03 0.31 0.32 -1.83 0.00 0.00 0.00 174.94 173.71 3hii s GLU 73 N 1.18 1.25 0.30 2.79 -1.05 -0.84 -4.23 118.70 118.09 3hii s GLU 73 Ca -0.06 -1.22 -0.29 0.00 -0.15 0.00 0.00 54.97 53.25 3hii s GLU 73 Cb -0.14 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 33.84 3hii s GLU 73 CO -0.02 -0.47 1.24 1.41 0.95 0.00 0.00 175.26 178.38 3hii s MET 74 N -3.99 4.45 -0.36 -4.83 -2.45 -1.26 0.09 119.30 110.95 3hii s MET 74 Ca 0.20 2.07 -0.09 0.00 -1.25 0.00 0.00 55.69 56.61 3hii s MET 74 Cb 0.03 -3.12 0.03 0.00 1.25 0.00 0.00 34.83 33.01 3hii s MET 74 CO 0.03 -0.07 0.17 -1.17 1.05 0.00 0.00 175.02 175.02 3hii s LEU 75 N -1.45 4.56 0.27 4.11 2.96 -0.38 -4.64 118.68 124.12 3hii s LEU 75 Ca 0.49 -1.02 -0.31 0.00 -0.22 0.00 0.00 54.13 53.07 3hii s LEU 75 Cb -0.37 -1.97 -0.12 0.00 0.50 0.00 0.00 46.19 44.23 3hii s LEU 75 CO 0.47 -0.36 1.55 -0.11 -1.32 0.00 0.00 176.35 176.58 3hii n LEU 76 N 4.94 3.92 -4.60 -0.68 7.94 -1.26 -4.33 117.00 122.93 3hii n LEU 76 Ca -0.12 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.63 3hii n LEU 76 Cb 0.46 -1.54 0.20 0.00 0.53 0.00 0.00 43.42 43.07 3hii n LEU 76 CO 0.35 -0.05 0.59 -2.84 -1.11 0.00 0.00 177.39 174.33 3hii s PRO 77 N -0.32 -0.02 0.40 1.96 0.02 -1.26 -4.97 135.00 130.80 3hii s PRO 77 Ca 0.66 0.78 -0.27 0.00 0.02 0.00 0.00 61.00 62.19 3hii s PRO 77 Cb -0.55 -1.66 -0.10 0.00 0.02 0.00 0.00 34.50 32.21 3hii s PRO 77 CO 0.47 -3.10 1.42 0.15 -0.33 0.00 0.00 177.00 175.62 3hii s LYS 78 N -4.71 3.97 0.30 5.54 1.02 -1.26 -4.84 119.74 119.76 3hii s LYS 78 Ca 0.66 2.43 0.00 0.00 0.02 0.00 0.00 55.97 59.09 3hii s LYS 78 Cb -0.22 -2.85 0.51 0.00 -0.52 0.00 0.00 37.83 34.76 3hii s LYS 78 CO 0.61 -0.59 1.93 -0.22 -0.92 0.00 0.00 175.35 176.16 3hii h LYS 79 N 2.77 1.02 -0.34 1.68 3.64 -1.99 -1.13 116.57 122.23 3hii h LYS 79 Ca -0.50 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 58.88 3hii h LYS 79 Cb 1.25 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 3hii h LYS 79 CO 0.63 0.67 -0.10 -0.92 -2.27 0.00 0.00 179.45 177.47 3hii h TYR 80 N 1.05 -0.21 -0.27 1.91 3.20 -2.00 0.30 116.97 120.95 3hii h TYR 80 Ca 0.36 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.10 3hii h TYR 80 Cb 0.11 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3hii h TYR 80 CO -0.00 -0.16 -0.48 0.45 -1.64 0.00 0.00 178.16 176.33 3hii h HIS 81 N -0.02 0.90 -0.48 -3.82 3.86 -1.77 -2.53 115.15 111.30 3hii h HIS 81 Ca 0.16 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3hii h HIS 81 Cb 0.27 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3hii h HIS 81 CO -0.32 1.07 0.13 0.28 0.86 0.00 0.00 177.93 179.95 3hii h VAL 82 N 0.58 1.23 -0.21 2.45 2.07 -0.82 -1.94 116.25 119.61 3hii h VAL 82 Ca 0.03 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 3hii h VAL 82 Cb 1.04 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3hii h VAL 82 CO 0.10 0.29 -0.35 -0.07 0.02 0.00 0.00 177.57 177.56 3hii h LEU 83 N 0.66 0.48 -0.97 2.57 3.38 -0.93 -0.43 115.31 120.07 3hii h LEU 83 Ca 0.15 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3hii h LEU 83 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hii h LEU 83 CO -0.00 0.80 -0.29 0.03 0.09 0.00 0.00 178.44 179.07 3hii h ARG 84 N 0.39 0.41 -0.30 1.13 3.08 -1.33 0.41 114.38 118.16 3hii h ARG 84 Ca 0.04 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3hii h ARG 84 Cb 0.81 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3hii h ARG 84 CO 0.07 0.66 -0.14 0.35 -1.07 0.00 0.00 179.97 179.83 3hii h PHE 85 N 0.36 0.73 0.10 3.04 3.57 -1.05 -1.14 116.94 122.55 3hii h PHE 85 Ca 0.05 -0.18 -0.18 0.00 3.53 0.00 0.00 57.97 61.19 3hii h PHE 85 Cb 0.69 -0.17 0.02 0.00 2.79 0.00 0.00 35.95 39.28 3hii h PHE 85 CO 0.02 0.86 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.13 3hii h LEU 86 N 0.39 0.49 0.00 0.59 3.38 -0.84 -3.35 115.31 115.98 3hii h LEU 86 Ca 0.07 -0.90 -0.21 0.00 0.09 0.00 0.00 57.88 56.93 3hii h LEU 86 Cb 0.67 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3hii h LEU 86 CO 0.04 1.35 -2.12 0.47 0.09 0.00 0.00 178.44 178.27 3hii n ASP 87 N -4.15 0.50 -0.10 -0.43 8.00 0.14 -4.59 116.55 115.92 3hii n ASP 87 Ca -0.13 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.46 3hii n ASP 87 Cb 0.79 1.30 0.13 0.00 -0.02 0.00 0.00 41.12 43.31 3hii n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hii n LYS 88 N -2.49 1.20 -2.42 -1.24 5.02 -0.87 -5.00 118.16 112.34 3hii n LYS 88 Ca -0.20 -2.44 -0.19 0.00 -2.02 0.00 0.00 58.31 53.46 3hii n LYS 88 Cb 0.88 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 3hii n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hii n GLY 89 N -1.32 -0.50 3.06 0.72 0.00 -1.04 -4.91 105.19 101.20 3hii n GLY 89 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3hii n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hii n GLU 90 N -2.98 -0.09 -1.85 1.61 1.02 -0.49 -4.99 120.64 112.88 3hii n GLU 90 Ca -0.22 -2.08 -0.38 0.00 -0.02 0.00 0.00 57.16 54.45 3hii n GLU 90 Cb 0.67 -0.59 0.03 0.00 -0.02 0.00 0.00 31.44 31.53 3hii n GLU 90 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3hii s ARG 91 N -4.62 3.32 0.18 3.49 1.70 -1.26 -4.47 118.95 117.29 3hii s ARG 91 Ca 0.53 2.20 -0.33 0.00 -0.47 0.00 0.00 55.73 57.66 3hii s ARG 91 Cb -0.03 -2.35 -0.13 0.00 -0.57 0.00 0.00 34.95 31.87 3hii s ARG 91 CO 0.35 -1.03 1.65 1.58 -1.08 0.00 0.00 175.30 176.77 3hii n HIS 92 N -0.80 2.51 -0.79 5.89 -0.00 -1.26 -4.44 115.22 116.33 3hii n HIS 92 Ca 0.09 0.15 -0.30 0.00 0.46 0.00 0.00 57.72 58.12 3hii n HIS 92 Cb 0.45 -2.61 0.17 0.00 -0.12 0.00 0.00 29.99 27.88 3hii n HIS 92 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3hii s PRO 93 N 1.08 0.86 0.11 1.57 0.02 -1.26 -4.94 135.00 132.44 3hii s PRO 93 Ca 0.77 1.30 -0.31 0.00 0.02 0.00 0.00 61.00 62.78 3hii s PRO 93 Cb -0.59 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.12 3hii s PRO 93 CO 0.35 -2.66 1.46 0.08 -0.33 0.00 0.00 177.00 175.90 3hii s VAL 94 N -2.68 3.14 -0.03 3.83 1.01 -1.26 -5.00 120.40 119.41 3hii s VAL 94 Ca 0.66 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 3hii s VAL 94 Cb -0.22 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3hii s VAL 94 CO 0.59 0.05 0.69 -0.60 0.00 0.00 0.00 175.10 175.83 3hii s ARG 95 N 1.37 4.43 0.13 2.72 3.52 -1.26 -4.74 118.95 125.12 3hii s ARG 95 Ca 0.67 0.89 0.01 0.00 -0.13 0.00 0.00 55.73 57.16 3hii s ARG 95 Cb -0.38 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 3hii s ARG 95 CO 0.30 0.16 -0.01 -1.21 -0.81 0.00 0.00 175.30 173.73 3hii s GLU 96 N 0.46 0.94 0.06 5.12 2.02 -1.26 -1.50 118.70 124.55 3hii s GLU 96 Ca 0.37 -1.43 0.06 0.00 0.02 0.00 0.00 54.97 53.98 3hii s GLU 96 Cb -0.18 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 3hii s GLU 96 CO 0.19 -0.13 -0.09 0.00 0.02 0.00 0.00 175.26 175.26 3hii s ALA 97 N -3.76 2.98 -0.14 5.21 0.00 0.74 -1.24 121.76 125.55 3hii s ALA 97 Ca 0.19 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 3hii s ALA 97 Cb 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3hii s ALA 97 CO -0.00 0.63 0.47 0.50 0.00 0.00 0.00 175.76 177.36 3hii s ARG 98 N -1.89 4.30 -0.13 0.00 3.52 0.11 -0.39 118.95 124.48 3hii s ARG 98 Ca 0.20 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 3hii s ARG 98 Cb -0.11 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3hii s ARG 98 CO 0.11 0.09 -0.11 0.00 -0.81 0.00 0.00 175.30 174.59 3hii s ALA 99 N 0.85 1.57 -0.28 6.12 0.00 -0.28 -1.98 121.76 127.75 3hii s ALA 99 Ca 0.25 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3hii s ALA 99 Cb -0.15 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 3hii s ALA 99 CO 0.10 -0.35 0.18 0.08 0.00 0.00 0.00 175.76 175.76 3hii s VAL 100 N 1.52 5.21 -0.17 0.00 1.01 0.02 -0.80 120.40 127.18 3hii s VAL 100 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3hii s VAL 100 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 3hii s VAL 100 CO -0.08 0.26 -0.11 -0.63 0.00 0.00 0.00 175.10 174.53 3hii s ILE 101 N 1.75 2.96 -0.39 2.22 1.01 -0.49 -0.27 121.20 127.98 3hii s ILE 101 Ca 0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 3hii s ILE 101 Cb -0.16 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3hii s ILE 101 CO 0.10 0.49 0.87 -0.36 0.00 0.00 0.00 174.94 176.05 3hii s PHE 102 N 0.92 3.04 -1.09 3.97 0.40 -0.28 -1.74 117.98 123.19 3hii s PHE 102 Ca -0.03 0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 56.76 3hii s PHE 102 Cb -0.15 -3.65 0.24 0.00 0.51 0.00 0.00 43.02 39.97 3hii s PHE 102 CO -0.01 -0.87 1.15 -0.06 0.70 0.00 0.00 175.22 176.13 3hii s PHE 103 N 3.41 3.98 -0.63 0.36 0.40 0.10 -1.64 117.98 123.98 3hii s PHE 103 Ca 0.35 -2.42 0.23 0.00 -0.60 0.00 0.00 56.93 54.49 3hii s PHE 103 Cb -0.12 -3.97 0.11 0.00 0.51 0.00 0.00 43.02 39.56 3hii s PHE 103 CO 0.20 -1.08 1.09 0.41 0.70 0.00 0.00 175.22 176.54 3hii n GLY 104 N 3.31 -1.25 2.65 4.36 0.00 -0.32 -1.78 105.19 112.15 3hii n GLY 104 Ca 0.26 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3hii n GLY 104 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hii n ASP 105 N -1.98 7.29 -3.58 1.61 2.03 -1.20 -3.97 116.55 116.75 3hii n ASP 105 Ca 0.02 -3.43 -0.09 0.00 0.52 0.00 0.00 54.79 51.82 3hii n ASP 105 Cb 0.43 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 39.54 3hii n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hii s GLN 106 N -2.71 1.24 0.24 -0.67 -2.07 -1.26 -4.90 119.66 109.53 3hii s GLN 106 Ca 0.43 -0.55 -0.05 0.00 -1.82 0.00 0.00 55.36 53.36 3hii s GLN 106 Cb 0.16 0.51 0.33 0.00 -1.09 0.00 0.00 33.01 32.92 3hii s GLN 106 CO -0.08 -0.55 1.86 1.05 -1.32 0.00 0.00 175.29 176.25 3hii h GLU 107 N 2.00 0.99 -3.25 9.60 4.11 -1.95 -3.30 114.58 122.78 3hii h GLU 107 Ca -0.26 -0.06 -0.64 0.00 0.07 0.00 0.00 59.36 58.47 3hii h GLU 107 Cb 1.27 -0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.88 3hii h GLU 107 CO 0.31 0.65 -0.57 -1.01 0.07 0.00 0.00 179.01 178.47 3hii s HIS 108 N -6.06 3.41 0.48 2.06 3.76 -1.26 -5.09 115.29 112.59 3hii s HIS 108 Ca -0.13 -3.23 -0.23 0.00 -0.15 0.00 0.00 55.06 51.32 3hii s HIS 108 Cb 0.18 -2.80 -0.08 0.00 1.11 0.00 0.00 32.58 30.99 3hii s HIS 108 CO 0.79 -0.65 1.16 -2.30 -0.85 0.00 0.00 174.74 172.90 3hii n PRO 109 N 2.54 1.54 -3.98 8.40 -0.02 -1.25 -5.03 135.00 137.20 3hii n PRO 109 Ca 0.13 0.56 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 3hii n PRO 109 Cb 0.34 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 3hii n PRO 109 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hii s ASN 110 N -0.80 0.04 -0.15 2.55 2.20 -0.74 -4.45 114.94 113.60 3hii s ASN 110 Ca 0.67 -0.99 -0.04 0.00 -0.94 0.00 0.00 52.86 51.55 3hii s ASN 110 Cb -0.48 0.63 -0.03 0.00 -2.00 0.00 0.00 41.25 39.37 3hii s ASN 110 CO 0.54 -1.23 -0.01 -0.69 -2.94 0.00 0.00 177.10 172.76 3hii s VAL 111 N -3.72 4.13 -0.01 3.54 1.01 -1.26 0.03 120.40 124.11 3hii s VAL 111 Ca 0.22 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3hii s VAL 111 Cb -0.02 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3hii s VAL 111 CO 0.11 0.50 -0.15 -0.89 0.00 0.00 0.00 175.10 174.67 3hii s THR 112 N 0.18 1.16 0.01 3.92 2.01 -0.71 -4.97 115.64 117.22 3hii s THR 112 Ca -0.00 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 3hii s THR 112 Cb -0.13 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3hii s THR 112 CO 0.02 0.33 0.09 -1.61 -0.69 0.00 0.00 174.62 172.76 3hii s GLU 113 N -0.29 3.09 0.08 4.92 2.02 -1.26 -1.39 118.70 125.86 3hii s GLU 113 Ca 0.04 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.60 3hii s GLU 113 Cb -0.06 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 3hii s GLU 113 CO -0.00 0.64 -0.14 -0.06 0.02 0.00 0.00 175.26 175.72 3hii s PHE 114 N -1.23 1.23 -0.27 1.61 0.40 0.02 -0.08 117.98 119.66 3hii s PHE 114 Ca 0.24 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 55.92 3hii s PHE 114 Cb -0.12 -0.69 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 3hii s PHE 114 CO 0.15 0.06 0.52 0.00 0.70 0.00 0.00 175.22 176.66 3hii s ALA 115 N -1.36 3.58 -0.16 5.36 0.00 0.14 -1.13 121.76 128.20 3hii s ALA 115 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3hii s ALA 115 Cb -0.09 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 3hii s ALA 115 CO 0.02 -0.79 -0.05 0.08 0.00 0.00 0.00 175.76 175.02 3hii s VAL 116 N 2.34 3.76 0.16 0.00 1.01 0.48 -0.72 120.40 127.42 3hii s VAL 116 Ca 0.21 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 3hii s VAL 116 Cb -0.16 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.66 3hii s VAL 116 CO 0.10 0.49 1.06 -0.83 0.00 0.00 0.00 175.10 175.92 3hii s GLY 117 N 0.41 0.03 0.85 4.51 0.00 -1.08 -0.18 107.32 111.87 3hii s GLY 117 Ca -0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 3hii s GLY 117 CO 0.03 2.35 1.19 2.56 0.00 0.00 0.00 173.10 179.23 3hii s PRO 118 N -2.29 1.21 -0.07 2.90 0.04 -1.26 -0.58 135.00 134.96 3hii s PRO 118 Ca 0.21 -0.54 0.03 0.00 0.04 0.00 0.00 61.00 60.74 3hii s PRO 118 Cb -0.02 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3hii s PRO 118 CO 0.04 -1.95 -0.16 -0.51 0.04 0.00 0.00 177.00 174.46 3hii s LEU 119 N -5.59 1.80 0.83 -3.56 1.43 -0.56 -1.67 118.68 111.36 3hii s LEU 119 Ca 0.69 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3hii s LEU 119 Cb -0.06 -0.96 0.09 0.00 0.03 0.00 0.00 46.19 45.29 3hii s LEU 119 CO 0.49 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 176.09 3hii s PRO 120 N 0.44 1.81 -0.14 1.29 0.04 -1.26 -4.44 135.00 132.74 3hii s PRO 120 Ca -0.13 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 61.69 3hii s PRO 120 Cb -0.15 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3hii s PRO 120 CO 0.04 -1.85 0.13 0.41 0.04 0.00 0.00 177.00 175.77 3hii n GLY 121 N -1.61 0.36 3.78 0.56 0.00 -1.25 -5.00 105.19 102.03 3hii n GLY 121 Ca 0.07 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3hii n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hii s PRO 122 N -3.15 4.17 0.00 1.61 0.04 -0.67 -4.22 135.00 132.78 3hii s PRO 122 Ca 0.05 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3hii s PRO 122 Cb -0.01 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.54 3hii s PRO 122 CO 0.11 -0.44 0.03 0.00 0.04 0.00 0.00 177.00 176.74 3hii s TYR 124 N -0.00 1.24 -0.25 0.00 -0.85 -0.22 -5.00 117.35 112.25 3hii s TYR 124 Ca 0.00 -1.17 -0.02 0.00 -0.52 0.00 0.00 57.07 55.36 3hii s TYR 124 Cb 0.00 -0.69 0.13 0.00 0.38 0.00 0.00 41.96 41.78 3hii s TYR 124 CO 0.00 -0.38 0.35 1.41 -1.52 0.00 0.00 175.55 175.41 3hii s MET 125 N -4.02 0.33 -0.17 -3.49 1.75 -1.25 -2.62 119.30 109.83 3hii s MET 125 Ca 0.31 0.31 0.00 0.00 -1.25 0.00 0.00 55.69 55.06 3hii s MET 125 Cb 0.07 -0.58 0.01 0.00 2.84 0.00 0.00 34.83 37.17 3hii s MET 125 CO 0.08 -0.78 -0.17 1.03 -0.65 0.00 0.00 175.02 174.54 3hii s ARG 126 N 2.49 3.13 0.44 4.11 0.52 0.10 -4.91 118.95 124.82 3hii s ARG 126 Ca 0.11 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.28 3hii s ARG 126 Cb -0.15 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 32.61 3hii s ARG 126 CO -0.21 -0.09 1.43 0.00 0.02 0.00 0.00 175.30 176.45 3hii s ALA 127 N 1.06 3.28 0.22 2.13 0.00 -1.26 0.24 121.76 127.43 3hii s ALA 127 Ca -0.01 1.47 0.10 0.00 0.00 0.00 0.00 51.96 53.53 3hii s ALA 127 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 3hii s ALA 127 CO -0.05 -1.17 -0.12 -0.51 0.00 0.00 0.00 175.76 173.91 3hii s LEU 128 N -2.64 2.86 -0.91 0.00 1.43 0.89 -4.83 118.68 115.48 3hii s LEU 128 Ca 0.60 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3hii s LEU 128 Cb -0.44 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3hii s LEU 128 CO 0.57 0.07 0.57 -1.54 0.23 0.00 0.00 176.35 176.25 3hii n SER 129 N -0.22 -3.96 -4.75 2.29 3.41 -1.26 -4.59 113.62 104.54 3hii n SER 129 Ca -0.09 -1.03 -0.36 0.00 -0.26 0.00 0.00 58.87 57.13 3hii n SER 129 Cb 0.57 -1.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.15 3hii n SER 129 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3hii s PRO 130 N -5.94 2.89 -0.55 4.33 0.04 -1.26 -5.02 135.00 129.50 3hii s PRO 130 Ca 0.22 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.23 3hii s PRO 130 Cb -0.12 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.63 3hii s PRO 130 CO 0.84 -1.30 0.37 1.03 0.04 0.00 0.00 177.00 177.98 3hii s ARG 131 N -3.28 1.73 0.18 4.56 0.52 -1.26 -5.11 118.95 116.29 3hii s ARG 131 Ca 0.78 -2.62 -0.33 0.00 -0.52 0.00 0.00 55.73 53.04 3hii s ARG 131 Cb -0.33 -2.65 -0.13 0.00 0.52 0.00 0.00 34.95 32.36 3hii s ARG 131 CO 0.36 -1.26 1.65 -2.30 0.02 0.00 0.00 175.30 173.78 3hii n PRO 132 N 2.71 2.45 0.00 3.54 -0.02 -1.26 -1.85 135.00 140.57 3hii n PRO 132 Ca 0.18 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3hii n PRO 132 Cb 0.38 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3hii n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hii n GLY 133 N 3.69 2.28 3.68 -1.23 0.00 -1.26 -5.04 105.19 107.31 3hii n GLY 133 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3hii n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hii s TYR 134 N -2.30 3.47 -0.93 1.61 6.14 -0.77 -4.95 117.35 119.63 3hii s TYR 134 Ca 0.00 1.32 0.09 0.00 0.64 0.00 0.00 57.07 59.12 3hii s TYR 134 Cb 0.00 -3.01 0.02 0.00 0.42 0.00 0.00 41.96 39.40 3hii s TYR 134 CO 0.00 -0.17 0.66 1.04 0.64 0.00 0.00 175.55 177.72 3hii n GLN 135 N 4.86 1.50 -0.67 4.97 6.02 -1.26 -4.68 117.38 128.12 3hii n GLN 135 Ca 0.04 -0.74 0.08 0.00 -0.01 0.00 0.00 57.00 56.38 3hii n GLN 135 Cb 0.49 -1.09 0.35 0.00 1.02 0.00 0.00 30.24 31.01 3hii n GLN 135 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hii n SER 136 N 0.01 4.87 -0.23 1.08 7.64 -1.26 -4.66 113.62 121.07 3hii n SER 136 Ca 0.04 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.20 3hii n SER 136 Cb 0.20 -0.59 0.07 0.00 -1.01 0.00 0.00 64.21 62.88 3hii n SER 136 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3hii h SER 137 N 3.49 -0.64 -0.47 6.43 0.87 -1.91 -0.69 113.55 120.63 3hii h SER 137 Ca 0.00 0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 3hii h SER 137 Cb 1.62 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 3hii h SER 137 CO 0.32 -0.22 -0.17 -0.25 -0.53 0.00 0.00 176.83 175.97 3hii h TRP 138 N -0.00 1.07 -0.00 2.24 2.91 -1.83 -2.56 115.95 117.78 3hii h TRP 138 Ca 0.32 -0.25 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 3hii h TRP 138 Cb 0.49 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 3hii h TRP 138 CO -0.55 1.05 -0.17 0.00 -1.03 0.00 0.00 178.44 177.74 3hii h ALA 139 N 0.86 1.71 0.00 2.65 0.00 -1.64 -2.75 119.26 120.10 3hii h ALA 139 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hii h ALA 139 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hii h ALA 139 CO 0.06 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.19 3hii h SER 140 N 0.00 0.00 -4.09 0.00 4.64 -0.74 -3.44 113.55 109.93 3hii h SER 140 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3hii h SER 140 Cb 0.31 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.48 3hii h SER 140 CO 0.02 0.00 0.44 0.00 -0.87 0.00 0.00 176.83 176.42 3hii s ARG 141 N -3.27 3.25 0.79 4.77 1.70 -1.04 -4.21 118.95 120.95 3hii s ARG 141 Ca 0.07 1.64 -0.13 0.00 -0.47 0.00 0.00 55.73 56.84 3hii s ARG 141 Cb 0.09 -1.99 0.08 0.00 -0.57 0.00 0.00 34.95 32.56 3hii s ARG 141 CO 0.58 -0.94 1.19 -2.14 -1.08 0.00 0.00 175.30 172.91 3hii s PRO 142 N -3.34 1.74 0.83 3.89 0.02 -1.26 -4.88 135.00 132.00 3hii s PRO 142 Ca 0.73 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 3hii s PRO 142 Cb -0.25 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 32.57 3hii s PRO 142 CO 0.29 -2.13 1.09 -1.50 -0.33 0.00 0.00 177.00 174.43 3hii s ILE 143 N -2.19 2.99 0.13 2.83 2.07 -1.26 -5.07 121.20 120.69 3hii s ILE 143 Ca 0.72 0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 60.25 3hii s ILE 143 Cb -0.28 -2.82 -0.03 0.00 0.13 0.00 0.00 42.46 39.46 3hii s ILE 143 CO 0.50 -0.42 0.11 -0.94 -1.91 0.00 0.00 174.94 172.28 3hii s SER 144 N -3.43 0.25 0.17 4.50 1.04 -1.26 -5.03 113.70 109.94 3hii s SER 144 Ca 0.62 -1.08 -0.15 0.00 0.48 0.00 0.00 55.95 55.83 3hii s SER 144 Cb -0.17 0.32 0.14 0.00 0.10 0.00 0.00 66.02 66.41 3hii s SER 144 CO 0.56 -0.76 1.70 0.74 0.98 0.00 0.00 173.24 176.47 3hii h THR 145 N 2.81 0.69 -0.64 2.02 2.02 -1.91 -0.97 112.91 116.93 3hii h THR 145 Ca -0.34 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3hii h THR 145 Cb 1.20 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3hii h THR 145 CO 0.57 0.03 0.37 0.00 0.37 0.00 0.00 175.52 176.86 3hii h ALA 146 N 1.37 1.44 -0.37 6.16 0.00 -1.89 -0.97 119.26 125.00 3hii h ALA 146 Ca 0.22 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3hii h ALA 146 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hii h ALA 146 CO -0.34 0.47 -0.28 1.49 0.00 0.00 0.00 179.25 180.60 3hii h GLU 147 N 0.89 0.77 -0.32 0.00 4.81 -1.74 -2.36 114.58 116.63 3hii h GLU 147 Ca 0.23 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3hii h GLU 147 Cb -0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3hii h GLU 147 CO -0.04 0.95 0.15 1.88 -0.73 0.00 0.00 179.01 181.23 3hii h TYR 148 N 0.66 0.47 -0.92 0.92 0.05 -0.38 0.13 116.97 117.89 3hii h TYR 148 Ca 0.08 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.92 3hii h TYR 148 Cb 0.80 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.33 3hii h TYR 148 CO 0.04 0.41 0.60 0.00 -1.05 0.00 0.00 178.16 178.16 3hii h ALA 149 N 1.01 1.55 -0.12 3.88 0.00 -1.10 0.37 119.26 124.85 3hii h ALA 149 Ca 0.11 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 3hii h ALA 149 Cb 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hii h ALA 149 CO -0.01 0.28 -0.83 -0.07 0.00 0.00 0.00 179.25 178.61 3hii h LEU 150 N 0.98 0.95 -0.38 0.00 3.38 -1.09 -2.28 115.31 116.88 3hii h LEU 150 Ca 0.42 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hii h LEU 150 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hii h LEU 150 CO -0.18 1.45 0.20 -0.07 0.09 0.00 0.00 178.44 179.93 3hii h LEU 151 N 0.51 0.29 -0.87 1.67 3.38 -0.29 -0.85 115.31 119.15 3hii h LEU 151 Ca -0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hii h LEU 151 Cb 1.47 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 3hii h LEU 151 CO 0.17 0.21 0.53 0.22 0.09 0.00 0.00 178.44 179.66 3hii h TYR 152 N 0.40 1.15 -0.61 1.13 3.20 -0.93 0.54 116.97 121.85 3hii h TYR 152 Ca 0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3hii h TYR 152 Cb 0.06 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 3hii h TYR 152 CO -0.09 0.77 0.30 1.25 -1.64 0.00 0.00 178.16 178.74 3hii h HIS 153 N 1.20 0.87 -0.46 -3.82 2.76 -1.02 0.17 115.15 114.85 3hii h HIS 153 Ca 0.31 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3hii h HIS 153 Cb -0.05 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 3hii h HIS 153 CO -0.00 0.66 0.25 1.15 -1.30 0.00 0.00 177.93 178.69 3hii h THR 154 N 0.83 1.16 -0.27 6.26 2.02 -0.34 -1.87 112.91 120.70 3hii h THR 154 Ca 0.21 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3hii h THR 154 Cb 0.11 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3hii h THR 154 CO -0.03 0.17 0.09 -0.07 0.37 0.00 0.00 175.52 176.06 3hii h LEU 155 N 0.60 0.39 -0.56 2.58 3.38 -0.59 0.25 115.31 121.35 3hii h LEU 155 Ca 0.16 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3hii h LEU 155 Cb 0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3hii h LEU 155 CO -0.03 0.47 0.23 1.56 0.09 0.00 0.00 178.44 180.77 3hii h GLN 156 N 0.27 0.42 0.09 1.13 1.08 -0.82 0.24 115.11 117.52 3hii h GLN 156 Ca 0.09 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3hii h GLN 156 Cb 0.22 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3hii h GLN 156 CO -0.00 0.27 -0.04 0.93 -0.95 0.00 0.00 178.83 179.04 3hii h GLU 157 N 0.43 -0.11 0.00 1.46 4.39 -1.16 -3.23 114.58 116.35 3hii h GLU 157 Ca 0.27 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 3hii h GLU 157 Cb 0.28 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3hii h GLU 157 CO -0.25 0.39 -0.03 0.00 -1.16 0.00 0.00 179.01 177.96 3hii h ALA 158 N 0.08 1.75 -0.37 3.43 0.00 -0.30 -2.84 119.26 121.00 3hii h ALA 158 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hii h ALA 158 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hii h ALA 158 CO 0.02 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.56 3hii n THR 159 N -4.21 0.48 -0.35 0.00 -2.24 0.06 -4.51 114.28 103.51 3hii n THR 159 Ca -0.03 -0.66 0.14 0.00 -2.27 0.00 0.00 64.05 61.23 3hii n THR 159 Cb 0.12 0.73 0.34 0.00 -2.10 0.00 0.00 70.33 69.42 3hii n THR 159 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hii h LYS 160 N 3.76 0.70 0.00 -0.78 1.57 -1.52 0.18 116.57 120.48 3hii h LYS 160 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hii h LYS 160 Cb 0.83 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3hii h LYS 160 CO 0.00 0.47 -0.02 -1.35 -0.57 0.00 0.00 179.45 177.98 3hii h PRO 161 N 0.72 0.00 -0.30 3.15 0.11 -1.85 -2.21 132.00 131.63 3hii h PRO 161 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3hii h PRO 161 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3hii h PRO 161 CO -0.40 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.69 3hii n LEU 162 N -3.58 1.97 -0.02 2.35 4.77 0.63 -4.57 117.00 118.55 3hii n LEU 162 Ca -0.03 -0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 54.95 3hii n LEU 162 Cb 0.11 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3hii n LEU 162 CO 0.26 0.46 0.74 -0.74 -1.33 0.00 0.00 177.39 176.77 3hii h HIS 163 N 2.35 -0.47 -0.35 -1.77 2.76 -1.40 0.28 115.15 116.55 3hii h HIS 163 Ca 0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 3hii h HIS 163 Cb 0.53 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3hii h HIS 163 CO 0.19 -0.26 -0.17 1.96 -1.30 0.00 0.00 177.93 178.36 3hii h GLN 164 N -0.21 0.65 -0.29 5.26 7.50 -1.85 -1.71 115.11 124.47 3hii h GLN 164 Ca 0.11 -0.23 0.01 0.00 0.50 0.00 0.00 58.65 59.04 3hii h GLN 164 Cb 0.38 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 3hii h GLN 164 CO -0.30 0.79 0.18 0.35 -1.50 0.00 0.00 178.83 178.35 3hii h PHE 165 N 0.58 0.35 -0.09 2.96 3.57 -1.65 0.12 116.94 122.78 3hii h PHE 165 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3hii h PHE 165 Cb 0.62 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3hii h PHE 165 CO 0.03 0.21 -0.06 0.74 -2.23 0.00 0.00 178.31 177.00 3hii h PHE 166 N 0.38 -0.14 -0.11 0.41 0.04 -0.27 -0.31 116.94 116.94 3hii h PHE 166 Ca 0.11 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3hii h PHE 166 Cb -0.03 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3hii h PHE 166 CO -0.06 -0.09 0.05 -0.07 -0.60 0.00 0.00 178.31 177.54 3hii h LEU 167 N -0.06 0.14 -1.17 1.54 3.38 -1.06 0.29 115.31 118.37 3hii h LEU 167 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hii h LEU 167 Cb 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hii h LEU 167 CO -0.13 0.21 0.01 0.78 0.09 0.00 0.00 178.44 179.40 3hii h ASN 168 N 0.05 0.55 0.48 -0.43 2.35 -0.62 0.17 115.58 118.14 3hii h ASN 168 Ca 0.04 -0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.53 3hii h ASN 168 Cb 0.11 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3hii h ASN 168 CO -0.00 0.61 -1.65 0.35 -1.65 0.00 0.00 177.43 175.09 3hii n THR 169 N -4.27 0.94 0.00 2.81 -2.24 -0.14 -4.66 114.28 106.72 3hii n THR 169 Ca 0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3hii n THR 169 Cb 0.25 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3hii n THR 169 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hii n THR 170 N -2.72 0.00 -0.90 4.28 -2.24 0.08 -0.46 114.28 112.31 3hii n THR 170 Ca -0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3hii n THR 170 Cb 0.81 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3hii n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hii n GLY 171 N 0.94 0.34 3.56 3.38 0.00 0.60 -4.93 105.19 109.10 3hii n GLY 171 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3hii n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hii s PHE 172 N -1.88 2.38 0.20 1.61 0.40 -1.26 -4.93 117.98 114.51 3hii s PHE 172 Ca 0.00 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 55.61 3hii s PHE 172 Cb 0.00 -1.53 0.04 0.00 0.51 0.00 0.00 43.02 42.03 3hii s PHE 172 CO 0.00 0.45 0.48 -1.13 0.70 0.00 0.00 175.22 175.72 3hii n SER 173 N -0.85 -1.26 -0.00 1.36 3.41 -0.87 -3.42 113.62 111.99 3hii n SER 173 Ca -0.05 -1.84 0.10 0.00 -0.26 0.00 0.00 58.87 56.82 3hii n SER 173 Cb 0.65 2.10 -0.11 0.00 -0.26 0.00 0.00 64.21 66.59 3hii n SER 173 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hii n PHE 174 N -0.33 0.00 -5.05 7.33 3.72 -1.26 -1.18 117.46 120.69 3hii n PHE 174 Ca -0.04 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.06 3hii n PHE 174 Cb 0.34 -0.06 -0.17 0.00 -0.94 0.00 0.00 39.48 38.65 3hii n PHE 174 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3hii s GLN 175 N -3.05 2.61 -1.45 -1.08 -0.21 -1.26 -4.67 119.66 110.55 3hii s GLN 175 Ca 0.07 -0.76 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 3hii s GLN 175 Cb 0.16 -2.03 0.02 0.00 1.00 0.00 0.00 33.01 32.15 3hii s GLN 175 CO 0.87 0.17 0.41 -0.25 -2.12 0.00 0.00 175.29 174.36 3hii n ASP 176 N 3.51 -0.46 -0.10 5.90 8.00 -1.26 -4.88 116.55 127.26 3hii n ASP 176 Ca -0.20 -1.04 -0.13 0.00 0.71 0.00 0.00 54.79 54.14 3hii n ASP 176 Cb 0.53 -2.87 -0.14 0.00 -0.02 0.00 0.00 41.12 38.61 3hii n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hii n HIS 178 N -2.97 0.00 1.41 0.00 8.25 -1.26 -0.53 115.22 120.13 3hii n HIS 178 Ca -0.36 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.24 3hii n HIS 178 Cb 1.09 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.66 3hii n HIS 178 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3hii n ASP 179 N 6.64 1.73 -3.13 0.41 5.75 -1.26 -4.38 116.55 122.31 3hii n ASP 179 Ca 0.00 -1.58 -0.23 0.00 -0.01 0.00 0.00 54.79 52.97 3hii n ASP 179 Cb 0.00 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 3hii n ASP 179 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hii n ARG 180 N 0.35 1.99 -4.07 0.11 1.74 0.31 -4.98 116.66 112.12 3hii n ARG 180 Ca 0.18 -4.08 -0.35 0.00 -0.77 0.00 0.00 57.85 52.83 3hii n ARG 180 Cb 0.39 -1.91 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 3hii n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hii s LEU 182 N -1.19 3.69 0.31 0.00 1.43 -0.33 -0.82 118.68 121.78 3hii s LEU 182 Ca 0.17 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.06 3hii s LEU 182 Cb -0.12 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 3hii s LEU 182 CO 0.06 -0.80 0.14 0.00 0.23 0.00 0.00 176.35 175.99 3hii s ALA 183 N -2.33 2.03 0.07 4.21 0.00 0.96 -4.74 121.76 121.95 3hii s ALA 183 Ca 0.63 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3hii s ALA 183 Cb -0.13 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3hii s ALA 183 CO 0.27 -0.48 -0.08 -0.59 0.00 0.00 0.00 175.76 174.89 3hii s PHE 184 N -3.58 0.79 -0.19 0.00 -0.12 -1.26 -0.36 117.98 113.26 3hii s PHE 184 Ca 0.35 -0.64 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3hii s PHE 184 Cb 0.05 -0.46 0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3hii s PHE 184 CO 0.17 -0.09 -0.18 0.99 -0.05 0.00 0.00 175.22 176.06 3hii s THR 185 N -2.17 2.17 0.34 -4.49 2.01 -0.25 -4.94 115.64 108.30 3hii s THR 185 Ca -0.02 -1.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 3hii s THR 185 Cb -0.05 -1.96 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 3hii s THR 185 CO -0.01 0.46 0.91 1.51 -0.69 0.00 0.00 174.62 176.79 3hii s ASP 186 N 1.28 7.17 0.28 3.53 -4.77 -1.26 -0.48 116.67 122.41 3hii s ASP 186 Ca 0.03 1.72 0.08 0.00 -3.30 0.00 0.00 52.55 51.08 3hii s ASP 186 Cb -0.14 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 3hii s ASP 186 CO -0.11 -0.14 0.15 0.68 0.70 0.00 0.00 175.17 176.45 3hii s VAL 187 N -1.78 3.87 0.04 2.11 -7.23 -0.78 -4.96 120.40 111.68 3hii s VAL 187 Ca 0.53 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3hii s VAL 187 Cb -0.15 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 3hii s VAL 187 CO 0.20 -0.31 -0.02 0.00 -0.31 0.00 0.00 175.10 174.66 3hii s ALA 188 N -2.25 0.33 1.06 1.32 0.00 -1.26 -4.45 121.76 116.52 3hii s ALA 188 Ca 0.34 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 3hii s ALA 188 Cb -0.07 0.23 0.22 0.00 0.00 0.00 0.00 23.12 23.50 3hii s ALA 188 CO 0.24 -0.29 1.14 -1.25 0.00 0.00 0.00 175.76 175.59 3hii s PRO 189 N -2.97 -0.06 -0.63 0.00 0.04 -1.25 -0.73 135.00 129.40 3hii s PRO 189 Ca -0.02 0.11 0.06 0.00 0.04 0.00 0.00 61.00 61.19 3hii s PRO 189 Cb 0.01 -1.72 0.24 0.00 0.04 0.00 0.00 34.50 33.07 3hii s PRO 189 CO -0.07 -2.98 0.68 0.54 0.04 0.00 0.00 177.00 175.22 3hii n ARG 190 N -4.27 2.24 0.00 4.56 1.74 -1.26 -4.86 116.66 114.80 3hii n ARG 190 Ca 0.10 -4.51 0.00 0.00 -0.77 0.00 0.00 57.85 52.67 3hii n ARG 190 Cb 0.59 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3hii n ARG 190 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hii n GLY 191 N 1.10 0.85 0.07 -0.13 0.00 -0.96 -0.33 105.19 105.78 3hii n GLY 191 Ca 0.28 -1.99 0.02 0.00 0.00 0.00 0.00 46.02 44.32 3hii n GLY 191 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hii n VAL 192 N 6.88 0.00 -3.58 1.61 0.24 -1.26 -5.03 118.33 117.18 3hii n VAL 192 Ca 0.00 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 3hii n VAL 192 Cb 0.00 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 3hii n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hii s ALA 193 N -0.77 -1.12 0.20 2.33 0.00 -1.26 -5.08 121.76 116.06 3hii s ALA 193 Ca 0.03 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 3hii s ALA 193 Cb 0.03 0.73 -0.13 0.00 0.00 0.00 0.00 23.12 23.75 3hii s ALA 193 CO 0.08 -0.67 1.66 0.45 0.00 0.00 0.00 175.76 177.29 3hii n SER 194 N -0.23 3.68 0.00 0.00 2.88 -1.26 -2.47 113.62 116.22 3hii n SER 194 Ca -0.16 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3hii n SER 194 Cb 0.64 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3hii n SER 194 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hii n GLY 195 N 3.63 1.75 3.86 0.46 0.00 -1.26 -4.99 105.19 108.64 3hii n GLY 195 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3hii n GLY 195 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hii s GLN 196 N -0.70 3.91 -0.40 1.61 -0.21 -1.03 -4.77 119.66 118.06 3hii s GLN 196 Ca 0.00 0.66 0.06 0.00 0.02 0.00 0.00 55.36 56.10 3hii s GLN 196 Cb 0.00 -2.35 0.22 0.00 1.00 0.00 0.00 33.01 31.88 3hii s GLN 196 CO 0.00 -0.01 0.46 -2.13 -2.12 0.00 0.00 175.29 171.49 3hii n ARG 197 N -1.00 0.51 -3.92 2.91 0.63 -1.18 -4.78 116.66 109.83 3hii n ARG 197 Ca 0.04 -3.15 -0.31 0.00 -0.92 0.00 0.00 57.85 53.51 3hii n ARG 197 Cb 0.54 -1.39 -0.15 0.00 0.45 0.00 0.00 32.46 31.90 3hii n ARG 197 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hii s ARG 198 N -0.65 1.38 -0.17 -0.14 0.52 0.55 -1.53 118.95 118.92 3hii s ARG 198 Ca 0.34 -1.34 -0.07 0.00 -0.52 0.00 0.00 55.73 54.15 3hii s ARG 198 Cb 0.12 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 3hii s ARG 198 CO -0.15 -0.81 0.05 -1.12 0.02 0.00 0.00 175.30 173.29 3hii s SER 199 N 1.26 5.52 0.12 0.23 0.01 -0.37 -2.28 113.70 118.19 3hii s SER 199 Ca 0.04 0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 3hii s SER 199 Cb -0.19 -1.92 -0.06 0.00 0.21 0.00 0.00 66.02 64.07 3hii s SER 199 CO -0.11 0.19 1.00 0.26 0.41 0.00 0.00 173.24 174.99 3hii s TRP 200 N 0.25 3.74 -0.13 2.43 0.52 -1.26 -1.26 118.94 123.23 3hii s TRP 200 Ca 0.03 1.73 0.03 0.00 0.02 0.00 0.00 56.10 57.91 3hii s TRP 200 Cb -0.12 -3.12 0.01 0.00 -1.15 0.00 0.00 33.47 29.08 3hii s TRP 200 CO 0.01 -0.03 -0.22 -0.51 0.02 0.00 0.00 176.95 176.21 3hii s LEU 201 N 0.03 2.09 -0.29 2.99 1.43 0.80 -1.87 118.68 123.86 3hii s LEU 201 Ca 0.48 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 3hii s LEU 201 Cb -0.25 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3hii s LEU 201 CO 0.31 0.10 0.64 -0.63 0.23 0.00 0.00 176.35 176.99 3hii s ILE 202 N 0.71 4.94 -0.01 -0.59 1.01 0.36 -1.49 121.20 126.12 3hii s ILE 202 Ca -0.10 0.94 -0.26 0.00 0.00 0.00 0.00 60.65 61.24 3hii s ILE 202 Cb -0.16 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3hii s ILE 202 CO 0.01 -0.11 0.81 -0.63 0.00 0.00 0.00 174.94 175.02 3hii s ILE 203 N 2.61 4.90 0.09 2.92 -1.09 -0.82 -1.09 121.20 128.71 3hii s ILE 203 Ca 0.26 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.41 3hii s ILE 203 Cb -0.15 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3hii s ILE 203 CO 0.11 0.25 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.88 3hii s GLN 204 N 0.63 0.80 -0.06 2.79 -0.21 0.51 -1.24 119.66 122.88 3hii s GLN 204 Ca 0.42 -1.11 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 3hii s GLN 204 Cb -0.20 -0.49 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 3hii s GLN 204 CO 0.23 0.08 1.15 1.03 -2.12 0.00 0.00 175.29 175.66 3hii s ARG 205 N -2.66 4.37 -1.07 2.91 0.52 -0.32 -0.03 118.95 122.68 3hii s ARG 205 Ca 0.04 1.61 -0.22 0.00 -0.52 0.00 0.00 55.73 56.64 3hii s ARG 205 Cb -0.04 -3.55 0.06 0.00 0.52 0.00 0.00 34.95 31.95 3hii s ARG 205 CO -0.00 -0.41 1.48 -0.47 0.02 0.00 0.00 175.30 175.92 3hii s TYR 206 N 2.14 2.63 0.42 -0.53 5.04 0.00 -4.59 117.35 122.46 3hii s TYR 206 Ca 0.54 -1.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.17 3hii s TYR 206 Cb -0.23 -4.68 -0.02 0.00 0.35 0.00 0.00 41.96 37.38 3hii s TYR 206 CO 0.21 -1.88 0.11 0.14 -1.34 0.00 0.00 175.55 172.79 3hii s VAL 207 N 4.65 0.68 -0.10 3.14 -7.23 -1.26 -4.60 120.40 115.69 3hii s VAL 207 Ca 0.46 -2.00 -0.36 0.00 -1.81 0.00 0.00 61.98 58.27 3hii s VAL 207 Cb 0.00 -2.33 -0.14 0.00 0.56 0.00 0.00 36.38 34.48 3hii s VAL 207 CO -0.07 0.00 1.76 1.21 -0.31 0.00 0.00 175.10 177.69 3hii n GLU 208 N -0.96 1.77 -3.24 4.82 2.13 -1.26 -0.76 120.64 123.14 3hii n GLU 208 Ca -0.08 0.65 -0.16 0.00 0.66 0.00 0.00 57.16 58.23 3hii n GLU 208 Cb 0.65 -2.42 0.06 0.00 0.27 0.00 0.00 31.44 30.00 3hii n GLU 208 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hii n GLY 209 N 4.06 -0.12 0.40 8.31 0.00 -1.26 -4.55 105.19 112.02 3hii n GLY 209 Ca 0.23 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.43 3hii n GLY 209 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3hii h TYR 210 N -1.85 0.00 -0.67 1.61 -0.00 -1.19 -2.13 116.97 112.74 3hii h TYR 210 Ca -0.41 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.51 3hii h TYR 210 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.96 3hii h TYR 210 CO 0.35 0.00 0.51 0.74 -0.00 0.00 0.00 178.16 179.77 3hii h PHE 211 N 0.00 0.00 -0.61 0.10 -1.00 -1.87 -1.58 116.94 111.97 3hii h PHE 211 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 3hii h PHE 211 Cb 1.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.89 3hii h PHE 211 CO 0.00 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.98 3hii n LEU 212 N -4.19 5.33 -2.73 1.54 4.77 -0.80 -4.57 117.00 116.36 3hii n LEU 212 Ca 0.13 -2.70 -0.24 0.00 -0.03 0.00 0.00 56.01 53.17 3hii n LEU 212 Cb 0.77 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hii n LEU 212 CO 0.36 0.71 0.11 1.41 -1.33 0.00 0.00 177.39 178.65 3hii n HIS 213 N 0.87 3.16 -2.08 -1.77 8.25 -0.60 -4.90 115.22 118.16 3hii n HIS 213 Ca 0.27 -3.47 -0.38 0.00 -0.26 0.00 0.00 57.72 53.88 3hii n HIS 213 Cb 1.07 -0.29 0.01 0.00 1.12 0.00 0.00 29.99 31.89 3hii n HIS 213 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hii s PRO 214 N -3.38 3.61 0.14 -0.41 0.04 -1.26 -1.17 135.00 132.56 3hii s PRO 214 Ca 0.46 1.98 0.22 0.00 0.04 0.00 0.00 61.00 63.70 3hii s PRO 214 Cb 0.36 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 3hii s PRO 214 CO -0.14 -0.73 0.88 0.25 0.04 0.00 0.00 177.00 177.31 3hii n THR 215 N -0.53 0.48 0.00 1.26 -2.24 -0.37 -4.86 114.28 108.01 3hii n THR 215 Ca 0.08 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3hii n THR 215 Cb 0.46 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3hii n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hii n GLY 216 N 1.21 0.70 3.77 3.38 0.00 -1.26 -4.96 105.19 108.02 3hii n GLY 216 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hii n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hii s LEU 217 N 0.00 4.29 0.08 0.99 2.96 -1.26 -1.66 118.68 124.08 3hii s LEU 217 Ca 0.00 0.50 0.06 0.00 -0.22 0.00 0.00 54.13 54.47 3hii s LEU 217 Cb 0.00 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 3hii s LEU 217 CO 0.00 0.19 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.46 3hii s GLU 218 N 0.02 0.91 -0.03 1.98 2.02 0.94 -1.94 118.70 122.59 3hii s GLU 218 Ca 0.15 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.13 3hii s GLU 218 Cb -0.13 -0.96 0.02 0.00 0.10 0.00 0.00 34.13 33.15 3hii s GLU 218 CO 0.04 0.21 -0.03 -0.51 0.02 0.00 0.00 175.26 174.99 3hii s LEU 219 N -1.84 1.49 -0.25 1.80 1.43 -0.56 -0.59 118.68 120.15 3hii s LEU 219 Ca 0.01 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 3hii s LEU 219 Cb -0.10 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 3hii s LEU 219 CO 0.03 -0.03 0.23 -0.22 0.23 0.00 0.00 176.35 176.59 3hii s LEU 220 N 0.63 4.07 -0.14 1.79 2.96 -0.54 -0.14 118.68 127.31 3hii s LEU 220 Ca -0.07 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3hii s LEU 220 Cb -0.11 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.39 3hii s LEU 220 CO -0.00 -0.03 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.09 3hii s VAL 221 N 1.48 2.05 -0.45 1.68 1.01 -0.39 -0.87 120.40 124.92 3hii s VAL 221 Ca 0.10 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3hii s VAL 221 Cb -0.15 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3hii s VAL 221 CO 0.08 0.55 0.80 -0.62 0.00 0.00 0.00 175.10 175.91 3hii s ASP 222 N 0.80 6.42 -0.30 3.32 -1.08 -0.17 -1.24 116.67 124.42 3hii s ASP 222 Ca -0.08 -0.08 0.10 0.00 -0.52 0.00 0.00 52.55 51.97 3hii s ASP 222 Cb -0.16 -2.39 0.46 0.00 -1.46 0.00 0.00 42.92 39.38 3hii s ASP 222 CO -0.02 -0.92 1.16 0.00 0.52 0.00 0.00 175.17 175.91 3hii n HIS 223 N 6.75 2.53 0.12 -5.34 1.44 -0.58 -2.61 115.22 117.53 3hii n HIS 223 Ca 0.03 -2.32 -0.19 0.00 -2.01 0.00 0.00 57.72 53.23 3hii n HIS 223 Cb 0.48 -0.29 -0.15 0.00 0.12 0.00 0.00 29.99 30.15 3hii n HIS 223 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3hii h GLY 224 N 2.32 0.40 -2.78 -1.39 0.00 -1.91 -3.46 103.07 96.24 3hii h GLY 224 Ca 0.26 -1.03 -0.52 0.00 0.00 0.00 0.00 47.33 46.05 3hii h GLY 224 CO 0.67 0.90 0.52 -0.45 0.00 0.00 0.00 176.54 178.18 3hii s SER 225 N -7.27 5.95 0.06 0.19 0.15 -1.26 -4.91 113.70 106.61 3hii s SER 225 Ca -0.06 2.44 0.19 0.00 0.70 0.00 0.00 55.95 59.23 3hii s SER 225 Cb 0.06 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.56 3hii s SER 225 CO 0.90 -1.08 1.60 0.35 1.20 0.00 0.00 173.24 176.22 3hii n THR 226 N -0.58 0.79 -3.37 6.45 -2.24 -1.26 -4.34 114.28 109.73 3hii n THR 226 Ca 0.08 0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.59 3hii n THR 226 Cb 0.47 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 3hii n THR 226 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hii s ASP 227 N -3.33 6.16 0.67 3.42 -1.08 -1.26 -3.79 116.67 117.46 3hii s ASP 227 Ca 0.08 -1.43 0.45 0.00 -0.52 0.00 0.00 52.55 51.12 3hii s ASP 227 Cb 0.11 -2.19 2.44 0.00 -1.46 0.00 0.00 42.92 41.82 3hii s ASP 227 CO 0.35 -0.70 2.38 0.00 0.52 0.00 0.00 175.17 177.72 3hii h ALA 228 N 8.79 1.01 -0.63 3.66 0.00 -1.99 0.70 119.26 130.80 3hii h ALA 228 Ca -0.29 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.78 3hii h ALA 228 Cb 1.11 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3hii h ALA 228 CO 0.92 0.00 0.44 0.78 0.00 0.00 0.00 179.25 181.39 3hii h GLY 229 N 0.01 0.27 1.97 0.00 0.00 -1.94 -1.72 103.07 101.66 3hii h GLY 229 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3hii h GLY 229 CO 0.00 0.02 -0.01 1.42 0.00 0.00 0.00 176.54 177.97 3hii n HIS 230 N -4.41 0.16 -2.16 5.60 8.25 0.24 -4.93 115.22 117.96 3hii n HIS 230 Ca 0.12 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 3hii n HIS 230 Cb 0.59 -0.57 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 3hii n HIS 230 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hii s TRP 231 N -3.02 3.05 -0.01 4.41 0.52 -0.65 -5.01 118.94 118.23 3hii s TRP 231 Ca 0.13 1.47 -0.03 0.00 0.02 0.00 0.00 56.10 57.69 3hii s TRP 231 Cb 0.18 -3.59 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 3hii s TRP 231 CO 0.55 -1.70 0.07 0.00 0.02 0.00 0.00 176.95 175.89 3hii s ALA 232 N -1.22 -0.16 -0.32 0.98 0.00 -1.07 -4.99 121.76 114.98 3hii s ALA 232 Ca 0.52 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 3hii s ALA 232 Cb -0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 3hii s ALA 232 CO 0.48 -0.11 1.39 0.08 0.00 0.00 0.00 175.76 177.61 3hii s VAL 233 N -0.66 3.99 -1.07 0.00 1.01 -1.26 -0.99 120.40 121.42 3hii s VAL 233 Ca -0.07 1.09 0.20 0.00 0.00 0.00 0.00 61.98 63.20 3hii s VAL 233 Cb -0.05 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 3hii s VAL 233 CO 0.00 -0.52 0.88 -1.84 0.00 0.00 0.00 175.10 173.63 3hii n GLU 234 N 7.59 0.41 -3.55 2.72 0.28 -0.05 -4.92 120.64 123.14 3hii n GLU 234 Ca 0.16 -0.11 -0.14 0.00 -0.16 0.00 0.00 57.16 56.91 3hii n GLU 234 Cb 0.47 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 3hii n GLU 234 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3hii s GLN 235 N -2.85 0.83 -0.01 3.44 2.00 -1.23 -4.82 119.66 117.01 3hii s GLN 235 Ca 0.09 0.20 0.01 0.00 -2.00 0.00 0.00 55.36 53.66 3hii s GLN 235 Cb 0.16 0.39 0.01 0.00 0.80 0.00 0.00 33.01 34.36 3hii s GLN 235 CO 0.80 -0.26 -0.02 0.08 -0.50 0.00 0.00 175.29 175.39 3hii s VAL 236 N -1.15 0.21 -0.10 1.34 1.01 -1.26 -1.47 120.40 118.98 3hii s VAL 236 Ca -0.06 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3hii s VAL 236 Cb -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.17 3hii s VAL 236 CO 0.06 0.09 -0.15 0.86 0.00 0.00 0.00 175.10 175.96 3hii s TRP 237 N 0.28 1.87 -0.06 5.22 -0.00 0.24 -0.53 118.94 125.96 3hii s TRP 237 Ca -0.03 -0.84 -0.01 0.00 -0.00 0.00 0.00 56.10 55.22 3hii s TRP 237 Cb -0.05 -1.36 0.03 0.00 -0.00 0.00 0.00 33.47 32.09 3hii s TRP 237 CO -0.01 -0.43 0.00 -0.47 -0.00 0.00 0.00 176.95 176.04 3hii s TYR 238 N 0.92 0.56 -1.43 5.86 5.04 -0.18 -0.04 117.35 128.08 3hii s TYR 238 Ca -0.08 -0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.42 3hii s TYR 238 Cb -0.15 -0.70 0.00 0.00 0.35 0.00 0.00 41.96 41.46 3hii s TYR 238 CO -0.00 -0.27 0.31 -1.71 -1.34 0.00 0.00 175.55 172.54 3hii n ASN 239 N 4.89 -0.23 0.00 4.32 5.15 -0.67 -1.90 115.26 126.83 3hii n ASN 239 Ca -0.11 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 3hii n ASN 239 Cb 0.50 -2.57 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 3hii n ASN 239 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hii n GLY 240 N -2.16 0.77 3.18 8.20 0.00 -1.26 -4.99 105.19 108.92 3hii n GLY 240 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 3hii n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hii s LYS 241 N -0.46 1.01 0.17 1.61 -0.14 -0.80 -5.15 119.74 115.98 3hii s LYS 241 Ca 0.00 -0.84 -0.15 0.00 -1.36 0.00 0.00 55.97 53.62 3hii s LYS 241 Cb 0.00 -1.06 -0.07 0.00 -1.68 0.00 0.00 37.83 35.02 3hii s LYS 241 CO 0.00 0.26 0.59 -0.06 -0.76 0.00 0.00 175.35 175.38 3hii s PHE 242 N -0.91 3.61 0.00 3.18 0.08 -1.26 -1.01 117.98 121.67 3hii s PHE 242 Ca 0.02 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.20 3hii s PHE 242 Cb -0.08 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 3hii s PHE 242 CO 0.02 0.40 0.15 0.66 -0.10 0.00 0.00 175.22 176.35 3hii n TYR 243 N 0.76 0.00 0.00 0.36 4.01 0.31 -4.98 117.16 117.62 3hii n TYR 243 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3hii n TYR 243 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3hii n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hii n GLY 244 N 0.29 1.65 3.28 2.72 0.00 -1.25 -4.43 105.19 107.44 3hii n GLY 244 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3hii n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hii s SER 245 N 0.00 -0.12 0.28 1.61 1.04 -1.26 -3.82 113.70 111.43 3hii s SER 245 Ca 0.00 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 3hii s SER 245 Cb 0.00 0.42 0.49 0.00 0.10 0.00 0.00 66.02 67.03 3hii s SER 245 CO 0.00 -0.78 1.88 -0.65 0.98 0.00 0.00 173.24 174.67 3hii h PRO 246 N 2.61 1.04 -0.43 4.02 0.11 -1.88 -1.72 132.00 135.76 3hii h PRO 246 Ca -0.34 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.74 3hii h PRO 246 Cb 1.23 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3hii h PRO 246 CO 0.49 0.69 0.22 0.93 -0.21 0.00 0.00 178.00 180.12 3hii h GLU 247 N 1.08 0.42 -0.24 1.05 3.07 -1.94 -0.53 114.58 117.49 3hii h GLU 247 Ca 0.44 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 3hii h GLU 247 Cb 0.29 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3hii h GLU 247 CO -0.19 0.28 0.09 1.49 -1.40 0.00 0.00 179.01 179.28 3hii h GLU 248 N 0.43 0.36 -0.92 2.33 4.81 -1.64 -0.75 114.58 119.20 3hii h GLU 248 Ca 0.18 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3hii h GLU 248 Cb 0.08 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3hii h GLU 248 CO -0.13 0.42 0.60 1.25 -0.73 0.00 0.00 179.01 180.43 3hii h LEU 249 N 0.23 1.02 -0.21 1.64 5.85 -1.24 -1.11 115.31 121.49 3hii h LEU 249 Ca 0.08 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hii h LEU 249 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3hii h LEU 249 CO -0.01 0.71 0.12 0.00 -0.34 0.00 0.00 178.44 178.93 3hii h ALA 250 N 1.37 0.25 -0.30 1.25 0.00 -0.71 -0.13 119.26 120.99 3hii h ALA 250 Ca 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3hii h ALA 250 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hii h ALA 250 CO -0.10 -0.28 0.07 0.07 0.00 0.00 0.00 179.25 179.00 3hii h ARG 251 N 0.25 0.49 -0.53 0.00 -0.00 -0.86 -0.90 114.38 112.83 3hii h ARG 251 Ca 0.08 -0.12 -0.06 0.00 -0.00 0.00 0.00 59.98 59.88 3hii h ARG 251 Cb -0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 29.87 3hii h ARG 251 CO -0.03 0.57 0.07 0.87 -0.00 0.00 0.00 179.97 181.45 3hii h LYS 252 N 0.33 0.84 0.38 0.08 1.57 -1.13 0.87 116.57 119.51 3hii h LYS 252 Ca 0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3hii h LYS 252 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hii h LYS 252 CO 0.00 0.79 -0.26 -0.92 -0.57 0.00 0.00 179.45 178.50 3hii h TYR 253 N 0.80 -0.68 -0.97 -1.35 3.20 -0.84 0.39 116.97 117.52 3hii h TYR 253 Ca 0.17 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.18 3hii h TYR 253 Cb 0.37 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.80 3hii h TYR 253 CO 0.02 -0.39 0.61 0.00 -1.64 0.00 0.00 178.16 176.76 3hii h ALA 254 N -0.06 1.69 -0.11 1.82 0.00 -0.81 -1.63 119.26 120.16 3hii h ALA 254 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hii h ALA 254 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hii h ALA 254 CO 0.03 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3hii n ASP 255 N -4.63 0.85 -0.60 0.00 8.00 0.27 -4.89 116.55 115.56 3hii n ASP 255 Ca 0.20 -1.72 -0.06 0.00 0.71 0.00 0.00 54.79 53.92 3hii n ASP 255 Cb 0.46 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 3hii n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hii n GLY 256 N 0.89 0.33 1.03 0.44 0.00 -0.61 -4.95 105.19 102.32 3hii n GLY 256 Ca 0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 3hii n GLY 256 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hii n GLU 257 N -1.92 1.85 -4.48 1.61 1.02 0.13 -4.97 120.64 113.88 3hii n GLU 257 Ca -0.07 -3.17 -0.22 0.00 -0.02 0.00 0.00 57.16 53.68 3hii n GLU 257 Cb 0.45 -1.78 -0.16 0.00 -0.02 0.00 0.00 31.44 29.93 3hii n GLU 257 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hii s VAL 258 N -3.21 0.94 -0.75 2.62 1.01 -1.24 -4.77 120.40 114.99 3hii s VAL 258 Ca 0.43 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 3hii s VAL 258 Cb 0.39 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.99 3hii s VAL 258 CO -0.01 0.29 1.12 -0.62 0.00 0.00 0.00 175.10 175.89 3hii s ASP 259 N 0.33 6.25 0.07 3.32 2.15 -1.26 -4.99 116.67 122.54 3hii s ASP 259 Ca -0.06 -0.98 -0.07 0.00 0.43 0.00 0.00 52.55 51.87 3hii s ASP 259 Cb -0.11 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 3hii s ASP 259 CO 0.01 -1.53 0.34 0.68 -0.17 0.00 0.00 175.17 174.50 3hii s VAL 260 N 4.51 5.20 -0.29 1.11 -7.23 -1.26 -4.87 120.40 117.58 3hii s VAL 260 Ca 0.29 0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 60.59 3hii s VAL 260 Cb -0.11 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.23 3hii s VAL 260 CO 0.08 0.23 0.05 -0.69 -0.31 0.00 0.00 175.10 174.45 3hii s VAL 261 N -1.45 3.70 -0.32 1.32 1.01 -1.26 -5.07 120.40 118.33 3hii s VAL 261 Ca 0.34 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 3hii s VAL 261 Cb -0.13 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3hii s VAL 261 CO 0.20 0.09 0.98 -0.69 0.00 0.00 0.00 175.10 175.68 3hii s VAL 262 N 1.45 4.60 0.00 2.92 1.01 -1.26 -4.84 120.40 124.28 3hii s VAL 262 Ca 0.02 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3hii s VAL 262 Cb -0.17 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3hii s VAL 262 CO 0.01 -0.42 0.00 0.18 0.00 0.00 0.00 175.10 174.87 3hii n LEU 263 N 6.66 0.00 -3.58 3.92 4.77 0.39 -5.03 117.00 124.13 3hii n LEU 263 Ca 0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 3hii n LEU 263 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 3hii n LEU 263 CO 0.56 -0.06 -0.23 -0.70 -1.33 0.00 0.00 177.39 175.63 3hii s GLU 278 N 0.00 0.11 0.75 3.23 2.12 -1.26 -4.88 118.70 118.78 3hii s GLU 278 Ca 0.00 0.30 -0.14 0.00 0.36 0.00 0.00 54.97 55.49 3hii s GLU 278 Cb 0.00 -0.95 0.05 0.00 0.26 0.00 0.00 34.13 33.49 3hii s GLU 278 CO 0.00 -0.52 1.16 -1.25 -0.54 0.00 0.00 175.26 174.10 3hii s PRO 279 N 2.29 2.13 0.76 4.30 0.04 -1.26 -4.98 135.00 138.28 3hii s PRO 279 Ca 0.05 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 3hii s PRO 279 Cb -0.14 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.60 3hii s PRO 279 CO -0.09 -1.80 1.12 -2.14 0.04 0.00 0.00 177.00 174.13 3hii s PRO 280 N -4.22 2.16 0.48 0.56 0.02 -1.26 -4.98 135.00 127.76 3hii s PRO 280 Ca 0.69 1.37 -0.24 0.00 0.02 0.00 0.00 61.00 62.84 3hii s PRO 280 Cb -0.24 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 3hii s PRO 280 CO 0.48 -1.74 1.37 -1.17 -0.33 0.00 0.00 177.00 175.60 3hii s LEU 281 N -5.68 4.03 0.59 -5.54 2.96 -1.26 -4.90 118.68 108.88 3hii s LEU 281 Ca 0.65 2.78 0.29 0.00 -0.22 0.00 0.00 54.13 57.63 3hii s LEU 281 Cb -0.20 -4.07 1.74 0.00 0.50 0.00 0.00 46.19 44.16 3hii s LEU 281 CO 0.51 -1.25 2.19 2.19 -1.32 0.00 0.00 176.35 178.67 3hii h PHE 282 N 2.05 0.00 -0.02 5.38 -5.15 -1.95 -1.23 116.94 116.02 3hii h PHE 282 Ca -0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 3hii h PHE 282 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3hii h PHE 282 CO 0.49 0.00 0.00 -1.13 -2.00 0.00 0.00 178.31 175.67 3hii n SER 283 N -3.84 0.99 -4.88 -0.68 3.41 -1.26 -3.99 113.62 103.36 3hii n SER 283 Ca -0.01 -1.35 -0.31 0.00 -0.26 0.00 0.00 58.87 56.93 3hii n SER 283 Cb 0.18 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 3hii n SER 283 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hii s SER 284 N -1.95 6.58 0.00 4.04 0.15 -0.47 -4.29 113.70 117.76 3hii s SER 284 Ca 0.40 0.84 0.29 0.00 0.70 0.00 0.00 55.95 58.18 3hii s SER 284 Cb 0.21 -2.19 1.22 0.00 -1.71 0.00 0.00 66.02 63.54 3hii s SER 284 CO 0.34 -0.06 1.91 1.41 1.20 0.00 0.00 173.24 178.04 3hii n HIS 285 N -0.18 0.00 -1.71 3.44 8.25 -1.26 -4.68 115.22 119.08 3hii n HIS 285 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3hii n HIS 285 Cb 0.52 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3hii n HIS 285 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hii n LYS 286 N -1.49 2.29 -1.85 -0.41 5.02 -1.26 -4.89 118.16 115.56 3hii n LYS 286 Ca 0.07 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.76 3hii n LYS 286 Cb 0.34 -2.49 -0.00 0.00 -0.02 0.00 0.00 35.03 32.86 3hii n LYS 286 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hii s PRO 287 N -0.94 4.10 0.21 1.97 0.02 -1.26 -4.92 135.00 134.18 3hii s PRO 287 Ca 0.63 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 64.02 3hii s PRO 287 Cb -0.57 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.00 3hii s PRO 287 CO 0.54 -0.51 0.43 -0.98 -0.33 0.00 0.00 177.00 176.15 3hii s ARG 288 N -2.09 1.39 0.00 5.54 3.03 -1.26 -4.87 118.95 120.69 3hii s ARG 288 Ca 0.53 -1.14 0.00 0.00 2.03 0.00 0.00 55.73 57.15 3hii s ARG 288 Cb -0.45 0.45 0.00 0.00 -1.03 0.00 0.00 34.95 33.92 3hii s ARG 288 CO 0.61 -0.56 0.00 0.41 -1.13 0.00 0.00 175.30 174.63 3hii n GLY 289 N -0.32 -1.64 2.83 3.88 0.00 -1.26 -4.99 105.19 103.69 3hii n GLY 289 Ca -0.05 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 3hii n GLY 289 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hii s ASP 290 N -3.83 0.39 0.63 1.61 1.01 -1.26 -5.14 116.67 110.10 3hii s ASP 290 Ca 0.00 -0.03 -0.17 0.00 0.71 0.00 0.00 52.55 53.07 3hii s ASP 290 Cb 0.00 -0.20 -0.01 0.00 1.01 0.00 0.00 42.92 43.72 3hii s ASP 290 CO 0.00 -0.09 1.15 -0.36 0.21 0.00 0.00 175.17 176.08 3hii s PHE 291 N 0.91 2.49 0.40 4.23 0.08 -1.26 -4.94 117.98 119.90 3hii s PHE 291 Ca -0.09 1.55 0.09 0.00 0.12 0.00 0.00 56.93 58.60 3hii s PHE 291 Cb -0.13 -3.30 0.84 0.00 -0.57 0.00 0.00 43.02 39.86 3hii s PHE 291 CO -0.02 -1.90 1.99 -1.35 -0.10 0.00 0.00 175.22 173.83 3hii h PRO 292 N 0.37 0.36 -3.22 0.24 0.11 -2.06 -3.29 132.00 124.51 3hii h PRO 292 Ca -0.48 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 64.94 3hii h PRO 292 Cb 1.27 -0.07 -0.41 0.00 0.11 0.00 0.00 31.00 31.90 3hii h PRO 292 CO 0.54 0.36 -0.57 -1.12 -0.21 0.00 0.00 178.00 177.00 3hii s SER 293 N -6.81 4.69 0.51 -2.05 0.01 -1.26 -5.11 113.70 103.69 3hii s SER 293 Ca -0.07 -3.51 -0.21 0.00 1.31 0.00 0.00 55.95 53.47 3hii s SER 293 Cb 0.16 -1.66 -0.07 0.00 0.21 0.00 0.00 66.02 64.66 3hii s SER 293 CO 0.73 -0.15 1.04 -2.65 0.41 0.00 0.00 173.24 172.62 3hii n PRO 294 N 2.46 1.24 -4.26 12.44 -0.02 -1.24 -5.00 135.00 140.60 3hii n PRO 294 Ca 0.14 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 3hii n PRO 294 Cb 0.34 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 3hii n PRO 294 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hii s ILE 295 N -1.38 3.06 -0.51 4.25 1.01 -1.26 -5.00 121.20 121.36 3hii s ILE 295 Ca 0.69 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.80 3hii s ILE 295 Cb -0.47 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 3hii s ILE 295 CO 0.52 0.48 0.42 1.41 0.00 0.00 0.00 174.94 177.77 3hii n HIS 296 N 4.29 0.00 -4.47 3.97 8.25 -1.26 -5.03 115.22 120.96 3hii n HIS 296 Ca -0.19 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.02 3hii n HIS 296 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 3hii n HIS 296 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hii s VAL 297 N -1.57 2.43 0.49 1.59 -7.23 -1.26 -5.12 120.40 109.73 3hii s VAL 297 Ca 0.04 -2.20 -0.21 0.00 -1.81 0.00 0.00 61.98 57.81 3hii s VAL 297 Cb 0.06 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 3hii s VAL 297 CO 0.29 -0.26 1.07 -0.44 -0.31 0.00 0.00 175.10 175.45 3hii s SER 298 N -3.61 6.22 0.90 4.85 0.01 -1.26 -5.06 113.70 115.75 3hii s SER 298 Ca 0.32 2.02 -0.11 0.00 1.31 0.00 0.00 55.95 59.49 3hii s SER 298 Cb -0.00 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.84 3hii s SER 298 CO 0.17 -0.87 1.23 -0.83 0.41 0.00 0.00 173.24 173.35 3hii s GLY 299 N -1.86 1.78 0.75 3.44 0.00 -1.26 -5.03 107.32 105.15 3hii s GLY 299 Ca 0.68 -1.43 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 3hii s GLY 299 CO 0.23 -0.70 1.24 -4.14 0.00 0.00 0.00 173.10 169.73 3hii s PRO 300 N -5.67 1.96 0.05 2.90 0.02 -1.26 -5.03 135.00 127.97 3hii s PRO 300 Ca 0.73 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3hii s PRO 300 Cb -0.04 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 3hii s PRO 300 CO 0.51 -2.00 -0.04 -0.98 -0.33 0.00 0.00 177.00 174.15 3hii s ARG 301 N -3.85 0.59 0.21 5.54 1.70 -1.26 -5.14 118.95 116.74 3hii s ARG 301 Ca 0.77 -1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 54.66 3hii s ARG 301 Cb -0.32 0.03 -0.08 0.00 -0.57 0.00 0.00 34.95 34.01 3hii s ARG 301 CO 0.47 -0.06 1.12 -0.51 -1.08 0.00 0.00 175.30 175.24 3hii s LEU 302 N -2.50 4.50 0.06 -1.89 1.02 -1.26 -5.07 118.68 113.54 3hii s LEU 302 Ca 0.02 2.18 0.09 0.00 0.02 0.00 0.00 54.13 56.44 3hii s LEU 302 Cb 0.02 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 3hii s LEU 302 CO -0.06 -0.23 -0.25 0.68 0.02 0.00 0.00 176.35 176.51 3hii s VAL 303 N -0.48 2.28 -0.46 -1.59 -7.23 -1.26 -4.67 120.40 107.00 3hii s VAL 303 Ca 0.49 -1.41 0.09 0.00 -1.81 0.00 0.00 61.98 59.34 3hii s VAL 303 Cb -0.31 -1.92 0.32 0.00 0.56 0.00 0.00 36.38 35.03 3hii s VAL 303 CO 0.37 0.32 0.76 1.67 -0.31 0.00 0.00 175.10 177.91 3hii n GLN 304 N 1.60 1.73 0.27 4.82 7.27 -1.26 -4.96 117.38 126.84 3hii n GLN 304 Ca -0.17 -3.91 0.14 0.00 0.07 0.00 0.00 57.00 53.13 3hii n GLN 304 Cb 0.52 -1.83 0.83 0.00 2.41 0.00 0.00 30.24 32.17 3hii n GLN 304 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 3hii h PRO 305 N 3.29 0.00 -0.66 3.69 0.13 -1.91 -2.15 132.00 134.39 3hii h PRO 305 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hii h PRO 305 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hii h PRO 305 CO 0.62 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.11 3hii n HIS 306 N -4.04 1.24 -0.34 1.56 8.25 -1.26 -5.04 115.22 115.58 3hii n HIS 306 Ca -0.02 -0.52 0.04 0.00 -0.26 0.00 0.00 57.72 56.96 3hii n HIS 306 Cb 0.13 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 3hii n HIS 306 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hii n GLY 307 N 1.22 -1.81 3.74 -1.41 0.00 -0.81 -4.89 105.19 101.22 3hii n GLY 307 Ca 0.23 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3hii n GLY 307 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hii n PRO 308 N -2.42 1.73 0.00 1.61 -0.02 -1.26 -4.94 135.00 129.70 3hii n PRO 308 Ca -0.00 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3hii n PRO 308 Cb 0.16 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.13 3hii n PRO 308 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hii n ARG 309 N -0.84 1.64 -3.99 -0.52 1.74 -1.26 -4.89 116.66 108.54 3hii n ARG 309 Ca 0.10 -1.30 -0.24 0.00 -0.77 0.00 0.00 57.85 55.64 3hii n ARG 309 Cb 0.44 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3hii n ARG 309 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hii s PHE 310 N -2.12 3.39 -0.17 -1.55 -0.12 -1.26 -4.59 117.98 111.57 3hii s PHE 310 Ca 0.20 0.03 -0.03 0.00 -0.05 0.00 0.00 56.93 57.09 3hii s PHE 310 Cb 0.17 -1.59 -0.02 0.00 -0.63 0.00 0.00 43.02 40.95 3hii s PHE 310 CO 0.42 0.49 -0.06 1.03 -0.05 0.00 0.00 175.22 177.06 3hii s ARG 311 N -3.50 3.52 -0.22 1.99 3.00 0.59 -4.96 118.95 119.38 3hii s ARG 311 Ca 0.34 -0.59 -0.01 0.00 0.00 0.00 0.00 55.73 55.47 3hii s ARG 311 Cb -0.10 -2.87 0.02 0.00 0.00 0.00 0.00 34.95 32.00 3hii s ARG 311 CO 0.28 0.12 -0.11 -1.17 0.00 0.00 0.00 175.30 174.41 3hii s LEU 312 N 0.65 2.77 -0.27 2.53 2.96 -1.26 -0.94 118.68 125.12 3hii s LEU 312 Ca -0.04 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.12 3hii s LEU 312 Cb -0.15 -1.60 0.08 0.00 0.50 0.00 0.00 46.19 45.02 3hii s LEU 312 CO 0.02 -0.07 0.01 -1.61 -1.32 0.00 0.00 176.35 173.39 3hii s GLU 313 N 1.32 1.28 7.68 1.98 8.01 -0.54 -4.99 118.70 133.43 3hii s GLU 313 Ca 0.02 -1.14 0.00 0.00 0.01 0.00 0.00 54.97 53.86 3hii s GLU 313 Cb -0.15 -2.51 0.00 0.00 -4.31 0.00 0.00 34.13 27.16 3hii s GLU 313 CO -0.07 -0.77 0.00 0.41 0.01 0.00 0.00 175.26 174.84 3hii n GLY 314 N 4.67 3.29 1.33 -1.39 0.00 -1.26 -1.56 105.19 110.27 3hii n GLY 314 Ca -0.06 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3hii n GLY 314 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hii n ASN 315 N 9.37 4.68 -4.53 1.61 6.94 -1.26 -4.97 115.26 127.10 3hii n ASN 315 Ca 0.00 -2.94 -0.34 0.00 -0.02 0.00 0.00 54.58 51.28 3hii n ASN 315 Cb 0.00 -0.60 -0.12 0.00 -2.36 0.00 0.00 39.78 36.71 3hii n ASN 315 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hii s ALA 316 N -2.73 3.07 -0.07 -2.53 0.00 -0.60 -1.80 121.76 117.11 3hii s ALA 316 Ca 0.47 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.68 3hii s ALA 316 Cb 0.37 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3hii s ALA 316 CO 0.13 0.24 -0.24 0.08 0.00 0.00 0.00 175.76 175.96 3hii s VAL 317 N 0.27 2.03 -0.05 0.00 1.01 0.12 -1.47 120.40 122.31 3hii s VAL 317 Ca -0.02 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 60.98 3hii s VAL 317 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3hii s VAL 317 CO 0.02 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.71 3hii s LEU 318 N -0.00 2.27 -0.30 3.92 1.43 -0.11 -1.56 118.68 124.33 3hii s LEU 318 Ca -0.08 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3hii s LEU 318 Cb -0.15 -1.42 0.19 0.00 0.03 0.00 0.00 46.19 44.84 3hii s LEU 318 CO 0.05 0.29 0.60 -0.47 0.23 0.00 0.00 176.35 177.05 3hii s TYR 319 N -0.42 -1.66 0.00 0.29 5.04 -0.43 -0.30 117.35 119.87 3hii s TYR 319 Ca 0.04 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 3hii s TYR 319 Cb -0.12 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.71 3hii s TYR 319 CO 0.01 -0.92 0.00 0.41 -1.34 0.00 0.00 175.55 173.71 3hii n GLY 320 N 5.43 3.09 0.06 8.97 0.00 -1.26 -0.26 105.19 121.21 3hii n GLY 320 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.44 3hii n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hii n GLY 321 N 0.00 -1.56 3.78 -0.02 0.00 -1.26 -4.90 105.19 101.22 3hii n GLY 321 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3hii n GLY 321 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hii s TRP 322 N -3.07 3.87 -0.04 1.61 0.52 0.64 -1.18 118.94 121.30 3hii s TRP 322 Ca 0.11 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.79 3hii s TRP 322 Cb 0.15 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.77 3hii s TRP 322 CO 0.54 0.50 -0.04 0.45 0.02 0.00 0.00 176.95 178.43 3hii s SER 323 N -1.01 0.76 0.19 2.95 0.15 -0.30 -1.32 113.70 115.13 3hii s SER 323 Ca 0.35 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.68 3hii s SER 323 Cb -0.22 -0.35 0.05 0.00 -1.71 0.00 0.00 66.02 63.79 3hii s SER 323 CO 0.24 -0.05 0.61 0.72 1.20 0.00 0.00 173.24 175.97 3hii s PHE 324 N 0.81 -0.41 0.30 3.44 -0.12 -0.60 0.24 117.98 121.64 3hii s PHE 324 Ca -0.10 0.13 0.09 0.00 -0.05 0.00 0.00 56.93 56.99 3hii s PHE 324 Cb -0.13 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 3hii s PHE 324 CO -0.00 -0.94 0.10 0.00 -0.05 0.00 0.00 175.22 174.33 3hii s ALA 325 N -3.80 3.40 0.05 1.99 0.00 -0.46 0.13 121.76 123.07 3hii s ALA 325 Ca 0.04 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.23 3hii s ALA 325 Cb -0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3hii s ALA 325 CO -0.07 0.15 0.13 -0.59 0.00 0.00 0.00 175.76 175.37 3hii s PHE 326 N -2.35 0.18 0.07 0.00 -0.12 -0.74 -0.51 117.98 114.51 3hii s PHE 326 Ca 0.35 -0.50 -0.07 0.00 -0.05 0.00 0.00 56.93 56.66 3hii s PHE 326 Cb -0.05 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.22 3hii s PHE 326 CO 0.22 -0.42 0.13 -0.98 -0.05 0.00 0.00 175.22 174.12 3hii s ARG 327 N -2.94 0.76 -0.42 1.99 1.70 -0.74 -4.71 118.95 114.58 3hii s ARG 327 Ca -0.02 -0.97 0.03 0.00 -0.47 0.00 0.00 55.73 54.29 3hii s ARG 327 Cb 0.01 0.30 0.11 0.00 -0.57 0.00 0.00 34.95 34.80 3hii s ARG 327 CO -0.06 -0.22 0.16 -1.17 -1.08 0.00 0.00 175.30 172.93 3hii s LEU 328 N -2.75 4.75 -0.22 -1.89 2.96 -1.26 -1.08 118.68 119.19 3hii s LEU 328 Ca 0.04 -2.42 -0.29 0.00 -0.22 0.00 0.00 54.13 51.24 3hii s LEU 328 Cb 0.05 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 3hii s LEU 328 CO -0.10 -0.36 1.19 -0.60 -1.32 0.00 0.00 176.35 175.16 3hii s ARG 329 N 0.55 4.17 0.35 1.98 3.52 -0.87 -4.92 118.95 123.73 3hii s ARG 329 Ca 0.13 1.44 0.08 0.00 -0.13 0.00 0.00 55.73 57.25 3hii s ARG 329 Cb -0.21 -3.75 0.79 0.00 -1.56 0.00 0.00 34.95 30.22 3hii s ARG 329 CO -0.05 -0.78 1.88 0.77 -0.81 0.00 0.00 175.30 176.31 3hii h SER 330 N 8.17 0.67 0.14 -2.12 0.02 -1.87 0.13 113.55 118.69 3hii h SER 330 Ca -0.24 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3hii h SER 330 Cb 1.08 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3hii h SER 330 CO 0.99 0.36 -0.07 0.77 -1.14 0.00 0.00 176.83 177.74 3hii h SER 331 N 0.72 -0.16 0.00 3.07 4.64 -1.89 -1.64 113.55 118.28 3hii h SER 331 Ca 0.43 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hii h SER 331 Cb 0.63 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3hii h SER 331 CO -0.19 0.41 -1.05 -1.54 -0.87 0.00 0.00 176.83 173.59 3hii n SER 332 N -4.90 2.11 0.00 4.97 3.41 -1.11 -2.02 113.62 116.08 3hii n SER 332 Ca -0.08 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3hii n SER 332 Cb 0.27 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 3hii n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hii n GLY 333 N 1.73 -0.66 3.77 5.00 0.00 0.45 -4.52 105.19 110.96 3hii n GLY 333 Ca -0.00 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 3hii n GLY 333 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hii s LEU 334 N 0.00 4.42 0.02 0.99 2.96 -1.26 -2.05 118.68 123.76 3hii s LEU 334 Ca 0.00 2.65 0.01 0.00 -0.22 0.00 0.00 54.13 56.57 3hii s LEU 334 Cb 0.00 -3.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 3hii s LEU 334 CO 0.00 -0.53 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.35 3hii s GLN 335 N -1.81 0.38 -0.04 1.98 -0.21 -0.24 -2.75 119.66 116.97 3hii s GLN 335 Ca 0.49 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 55.48 3hii s GLN 335 Cb -0.39 -0.22 -0.02 0.00 1.00 0.00 0.00 33.01 33.37 3hii s GLN 335 CO 0.52 0.05 -0.18 0.14 -2.12 0.00 0.00 175.29 173.69 3hii s VAL 336 N -0.80 2.75 0.06 1.09 -7.23 -0.37 -1.79 120.40 114.11 3hii s VAL 336 Ca -0.06 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3hii s VAL 336 Cb -0.06 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3hii s VAL 336 CO -0.00 0.58 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.53 3hii s LEU 337 N -0.73 2.34 -1.41 1.32 1.43 0.33 -0.75 118.68 121.21 3hii s LEU 337 Ca 0.11 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 3hii s LEU 337 Cb -0.10 -0.14 0.04 0.00 0.03 0.00 0.00 46.19 46.01 3hii s LEU 337 CO 0.00 -0.29 0.98 -3.20 0.23 0.00 0.00 176.35 174.08 3hii n ASN 338 N 0.95 -4.22 -4.68 2.29 5.15 0.32 -1.35 115.26 113.72 3hii n ASN 338 Ca -0.19 -0.71 -0.42 0.00 -0.60 0.00 0.00 54.58 52.66 3hii n ASN 338 Cb 0.57 -4.36 -0.03 0.00 -0.53 0.00 0.00 39.78 35.43 3hii n ASN 338 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hii s VAL 339 N -3.39 4.04 0.06 3.44 1.01 0.12 -4.44 120.40 121.24 3hii s VAL 339 Ca 0.44 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.88 3hii s VAL 339 Cb -0.21 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3hii s VAL 339 CO 0.79 -0.03 -0.25 -1.00 0.00 0.00 0.00 175.10 174.61 3hii s HIS 340 N 2.56 2.19 -0.06 5.22 3.76 0.14 -0.60 115.29 128.50 3hii s HIS 340 Ca 0.59 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 3hii s HIS 340 Cb -0.27 -1.29 0.02 0.00 1.11 0.00 0.00 32.58 32.15 3hii s HIS 340 CO 0.23 0.15 -0.09 0.12 -0.85 0.00 0.00 174.74 174.29 3hii s PHE 341 N -0.85 1.26 -1.07 1.40 5.36 -0.22 -1.15 117.98 122.71 3hii s PHE 341 Ca 0.11 -0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3hii s PHE 341 Cb -0.10 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 3hii s PHE 341 CO 0.03 -0.28 0.18 0.41 -1.46 0.00 0.00 175.22 174.10 3hii n GLY 342 N 4.01 -0.13 2.62 13.12 0.00 -0.32 -2.32 105.19 122.16 3hii n GLY 342 Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3hii n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hii n GLY 343 N -1.12 0.46 3.37 -0.02 0.00 -1.26 -5.01 105.19 101.60 3hii n GLY 343 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3hii n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hii s GLU 344 N -0.50 2.42 0.26 1.61 2.02 -0.98 -5.08 118.70 118.44 3hii s GLU 344 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 3hii s GLU 344 Cb 0.00 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 3hii s GLU 344 CO 0.00 0.52 1.23 0.50 0.02 0.00 0.00 175.26 177.53 3hii s ARG 345 N -0.50 4.47 -0.09 1.61 3.52 -1.26 -1.05 118.95 125.65 3hii s ARG 345 Ca 0.06 2.00 -0.03 0.00 -0.13 0.00 0.00 55.73 57.63 3hii s ARG 345 Cb -0.11 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3hii s ARG 345 CO 0.01 -0.07 -0.10 -0.89 -0.81 0.00 0.00 175.30 173.44 3hii n ILE 346 N 1.68 0.48 -3.76 4.11 5.41 0.23 -0.36 119.36 127.15 3hii n ILE 346 Ca 0.02 -0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.50 3hii n ILE 346 Cb 0.43 -1.37 -0.14 0.00 -0.71 0.00 0.00 39.64 37.86 3hii n ILE 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hii s ALA 347 N -2.16 -0.36 0.14 -1.39 0.00 -1.11 -0.85 121.76 116.03 3hii s ALA 347 Ca -0.12 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 3hii s ALA 347 Cb 0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 3hii s ALA 347 CO 0.16 -0.15 1.34 -0.92 0.00 0.00 0.00 175.76 176.20 3hii h TYR 348 N 6.95 0.63 -2.74 0.00 3.20 -1.41 0.35 116.97 123.95 3hii h TYR 348 Ca -0.39 -0.32 -0.13 0.00 3.14 0.00 0.00 58.73 61.03 3hii h TYR 348 Cb 1.16 -0.08 -0.27 0.00 1.54 0.00 0.00 36.73 39.08 3hii h TYR 348 CO 0.41 1.12 -0.33 -2.00 -1.64 0.00 0.00 178.16 175.72 3hii s GLU 349 N -3.41 0.36 -0.14 1.82 2.12 -1.16 -0.52 118.70 117.77 3hii s GLU 349 Ca -0.06 0.70 -0.00 0.00 0.36 0.00 0.00 54.97 55.96 3hii s GLU 349 Cb 0.09 -0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.51 3hii s GLU 349 CO 0.86 -0.14 -0.07 0.08 -0.54 0.00 0.00 175.26 175.45 3hii s VAL 350 N 1.20 1.12 -0.05 3.70 1.01 0.07 -0.15 120.40 127.30 3hii s VAL 350 Ca -0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3hii s VAL 350 Cb -0.08 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3hii s VAL 350 CO -0.10 0.27 0.17 -0.94 0.00 0.00 0.00 175.10 174.50 3hii s SER 351 N 1.65 -0.13 0.14 3.32 1.04 -0.53 -1.24 113.70 117.95 3hii s SER 351 Ca 0.03 0.22 -0.31 0.00 0.48 0.00 0.00 55.95 56.37 3hii s SER 351 Cb -0.14 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 3hii s SER 351 CO -0.08 -0.14 1.43 -0.69 0.98 0.00 0.00 173.24 174.73 3hii s VAL 352 N -0.29 3.12 -0.13 5.02 1.01 -1.11 -0.66 120.40 127.37 3hii s VAL 352 Ca -0.04 0.82 0.06 0.00 0.00 0.00 0.00 61.98 62.82 3hii s VAL 352 Cb -0.03 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 3hii s VAL 352 CO 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.14 3hii n GLN 353 N 3.81 1.32 -3.57 2.72 1.13 0.34 -4.58 117.38 118.55 3hii n GLN 353 Ca 0.11 0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 55.13 3hii n GLN 353 Cb 0.41 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.44 3hii n GLN 353 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3hii s GLU 354 N -2.28 0.55 -0.09 -1.09 2.56 -1.18 -4.45 118.70 112.72 3hii s GLU 354 Ca -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.97 54.76 3hii s GLU 354 Cb 0.04 0.26 0.05 0.00 2.00 0.00 0.00 34.13 36.47 3hii s GLU 354 CO 0.40 -0.21 0.20 0.00 -0.56 0.00 0.00 175.26 175.09 3hii s ALA 355 N -1.95 -0.35 0.12 6.30 0.00 -1.26 -1.27 121.76 123.35 3hii s ALA 355 Ca 0.03 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.82 3hii s ALA 355 Cb -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3hii s ALA 355 CO -0.04 -0.39 -0.15 0.14 0.00 0.00 0.00 175.76 175.33 3hii s VAL 356 N 1.79 1.34 -0.16 0.00 -7.23 0.46 -1.20 120.40 115.39 3hii s VAL 356 Ca -0.03 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3hii s VAL 356 Cb -0.12 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.39 3hii s VAL 356 CO -0.07 -0.37 0.01 0.00 -0.31 0.00 0.00 175.10 174.36 3hii s ALA 357 N -1.98 1.05 -0.31 1.32 0.00 -0.54 -1.59 121.76 119.71 3hii s ALA 357 Ca 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 3hii s ALA 357 Cb -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3hii s ALA 357 CO 0.03 -0.94 0.10 -0.51 0.00 0.00 0.00 175.76 174.44 3hii s LEU 358 N 1.83 4.02 0.19 0.00 1.43 -0.58 -1.18 118.68 124.39 3hii s LEU 358 Ca 0.01 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 3hii s LEU 358 Cb -0.16 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3hii s LEU 358 CO -0.07 -0.23 0.23 -0.31 0.23 0.00 0.00 176.35 176.19 3hii s TYR 359 N 1.48 3.28 0.29 0.29 2.02 -0.48 -1.86 117.35 122.37 3hii s TYR 359 Ca 0.02 -0.01 0.11 0.00 -0.37 0.00 0.00 57.07 56.82 3hii s TYR 359 Cb -0.18 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 3hii s TYR 359 CO 0.03 0.50 -0.11 0.20 -1.57 0.00 0.00 175.55 174.60 3hii s GLY 360 N -3.47 1.87 -0.06 0.71 0.00 -0.89 -4.73 107.32 100.74 3hii s GLY 360 Ca 0.33 -1.84 -0.31 0.00 0.00 0.00 0.00 44.72 42.90 3hii s GLY 360 CO 0.26 -1.90 0.99 -0.32 0.00 0.00 0.00 173.10 172.13 3hii s GLY 361 N -3.59 -0.41 0.04 0.20 0.00 -1.25 -4.22 107.32 98.08 3hii s GLY 361 Ca 0.31 1.17 0.11 0.00 0.00 0.00 0.00 44.72 46.32 3hii s GLY 361 CO 0.17 0.39 0.93 1.12 0.00 0.00 0.00 173.10 175.71 3hii h HIS 362 N 2.00 0.00 -3.37 1.90 2.07 -1.86 -3.36 115.15 112.53 3hii h HIS 362 Ca -0.18 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 56.83 3hii h HIS 362 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 3hii h HIS 362 CO 0.27 0.95 -0.06 0.95 -3.07 0.00 0.00 177.93 176.96 3hii s THR 363 N -2.68 4.94 0.36 6.12 -4.23 -1.26 -4.94 115.64 113.95 3hii s THR 363 Ca -0.02 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 3hii s THR 363 Cb 0.09 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.47 3hii s THR 363 CO 0.82 -0.36 2.02 1.55 -0.54 0.00 0.00 174.62 178.10 3hii h PRO 364 N 1.61 0.78 -0.35 3.99 0.13 -1.99 -1.34 132.00 134.84 3hii h PRO 364 Ca -0.47 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3hii h PRO 364 Cb 1.19 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3hii h PRO 364 CO 0.66 0.52 0.22 0.00 -0.23 0.00 0.00 178.00 179.16 3hii h ALA 365 N 1.63 0.45 -0.03 -0.56 0.00 -1.94 -1.78 119.26 117.01 3hii h ALA 365 Ca 0.22 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hii h ALA 365 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hii h ALA 365 CO -0.05 -0.06 -0.01 0.78 0.00 0.00 0.00 179.25 179.91 3hii h GLY 366 N 0.46 0.02 2.00 0.00 0.00 -1.73 -2.36 103.07 101.46 3hii h GLY 366 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3hii h GLY 366 CO -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.50 3hii h MET 367 N 0.00 0.00 0.00 4.80 -0.00 -1.24 -2.98 114.93 115.51 3hii h MET 367 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.58 3hii h MET 367 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.60 3hii h MET 367 CO -0.03 0.00 -0.73 0.37 -0.00 0.00 0.00 176.91 176.52 3hii h GLN 368 N 0.00 0.00 -6.48 -0.10 5.75 -0.81 -3.46 115.11 110.01 3hii h GLN 368 Ca 0.00 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.93 3hii h GLN 368 Cb 0.46 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 3hii h GLN 368 CO 0.00 0.60 1.00 0.99 -2.65 0.00 0.00 178.83 178.78 3hii s THR 369 N -2.89 4.06 -0.38 2.39 2.01 -1.00 -3.93 115.64 115.90 3hii s THR 369 Ca 0.02 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.17 3hii s THR 369 Cb 0.08 -4.25 0.12 0.00 0.01 0.00 0.00 72.50 68.46 3hii s THR 369 CO 0.77 -0.68 0.17 -0.54 -0.69 0.00 0.00 174.62 173.66 3hii s LYS 370 N 4.53 0.97 0.03 4.92 1.02 0.09 -1.39 119.74 129.91 3hii s LYS 370 Ca 0.57 -1.55 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 3hii s LYS 370 Cb -0.14 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 3hii s LYS 370 CO 0.28 -1.09 0.84 0.71 -0.92 0.00 0.00 175.35 175.17 3hii s TYR 371 N 0.96 3.71 -0.27 3.18 2.02 -0.32 -3.89 117.35 122.73 3hii s TYR 371 Ca 0.14 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.41 3hii s TYR 371 Cb -0.21 -2.92 0.08 0.00 -0.40 0.00 0.00 41.96 38.50 3hii s TYR 371 CO -0.10 0.17 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.53 3hii s LEU 372 N 0.30 3.04 0.31 -1.29 1.02 -1.26 -1.47 118.68 119.34 3hii s LEU 372 Ca 0.43 -1.48 0.26 0.00 0.02 0.00 0.00 54.13 53.36 3hii s LEU 372 Cb -0.21 -1.25 0.81 0.00 0.02 0.00 0.00 46.19 45.56 3hii s LEU 372 CO 0.25 -0.29 1.75 0.44 0.02 0.00 0.00 176.35 178.51 3hii h ASP 373 N 7.89 0.00 0.25 2.29 3.32 -1.56 -1.58 116.42 127.04 3hii h ASP 373 Ca -0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 3hii h ASP 373 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3hii h ASP 373 CO 0.45 0.00 -0.25 0.58 -1.72 0.00 0.00 179.24 178.29 3hii h VAL 374 N 0.00 1.19 0.00 -1.35 2.07 -1.84 -0.94 116.25 115.38 3hii h VAL 374 Ca 0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3hii h VAL 374 Cb 0.69 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3hii h VAL 374 CO 0.00 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.45 3hii n GLY 375 N -0.80 -0.31 0.10 2.17 0.00 -0.59 -2.16 105.19 103.61 3hii n GLY 375 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.02 3hii n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hii n TRP 376 N -1.14 0.00 -2.83 1.61 7.02 -0.38 -4.70 117.44 117.02 3hii n TRP 376 Ca 0.03 -0.67 -0.09 0.00 -1.02 0.00 0.00 57.50 55.75 3hii n TRP 376 Cb 0.03 -0.10 0.04 0.00 -2.42 0.00 0.00 31.31 28.86 3hii n TRP 376 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hii n GLY 377 N -0.91 -0.79 0.36 6.99 0.00 -0.92 -4.88 105.19 105.04 3hii n GLY 377 Ca 0.09 0.38 0.12 0.00 0.00 0.00 0.00 46.02 46.60 3hii n GLY 377 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hii h LEU 378 N -0.53 0.80 -0.24 0.99 5.85 -1.20 -1.45 115.31 119.53 3hii h LEU 378 Ca -0.35 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3hii h LEU 378 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hii h LEU 378 CO 0.31 0.34 -0.01 0.61 -0.34 0.00 0.00 178.44 179.35 3hii n GLY 379 N -1.35 -0.79 0.06 3.75 0.00 -0.80 -3.77 105.19 102.28 3hii n GLY 379 Ca 0.22 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.03 3hii n GLY 379 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hii n SER 380 N -0.76 2.03 -1.97 1.61 3.41 -0.55 -4.30 113.62 113.10 3hii n SER 380 Ca 0.21 -2.52 -0.24 0.00 -0.26 0.00 0.00 58.87 56.06 3hii n SER 380 Cb 0.19 -0.23 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 3hii n SER 380 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hii n VAL 381 N -0.94 2.94 -2.42 -3.33 0.24 -1.21 -4.89 118.33 108.72 3hii n VAL 381 Ca 0.08 -3.42 -0.43 0.00 -2.04 0.00 0.00 64.34 58.53 3hii n VAL 381 Cb 0.48 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3hii n VAL 381 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hii n THR 382 N -0.88 4.14 -2.08 3.34 -2.24 -1.25 -1.95 114.28 113.35 3hii n THR 382 Ca 0.49 -4.22 -0.27 0.00 -2.27 0.00 0.00 64.05 57.77 3hii n THR 382 Cb 0.90 -2.43 0.08 0.00 -2.10 0.00 0.00 70.33 66.78 3hii n THR 382 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hii s HIS 383 N 1.53 2.95 0.11 4.78 3.76 -1.26 -4.45 115.29 122.71 3hii s HIS 383 Ca 0.43 0.58 -0.31 0.00 -0.15 0.00 0.00 55.06 55.61 3hii s HIS 383 Cb 0.07 -3.30 -0.11 0.00 1.11 0.00 0.00 32.58 30.35 3hii s HIS 383 CO -0.00 -1.53 1.84 -1.91 -0.85 0.00 0.00 174.74 172.29 3hii n GLU 384 N -3.07 2.75 -2.55 1.40 2.13 -1.26 -4.70 120.64 115.35 3hii n GLU 384 Ca 0.08 1.00 -0.42 0.00 0.66 0.00 0.00 57.16 58.48 3hii n GLU 384 Cb 0.60 -2.89 -0.03 0.00 0.27 0.00 0.00 31.44 29.39 3hii n GLU 384 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3hii s LEU 385 N 2.86 4.34 -0.35 4.31 1.43 -0.01 -5.00 118.68 126.25 3hii s LEU 385 Ca 0.83 1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 3hii s LEU 385 Cb -0.49 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.16 3hii s LEU 385 CO 0.38 -0.42 0.78 0.00 0.23 0.00 0.00 176.35 177.32 3hii s ALA 386 N 1.38 3.45 0.20 4.21 0.00 -1.26 -4.92 121.76 124.82 3hii s ALA 386 Ca 0.55 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 3hii s ALA 386 Cb -0.25 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 3hii s ALA 386 CO 0.26 -1.42 1.62 -2.14 0.00 0.00 0.00 175.76 174.08 3hii s PRO 387 N 3.06 4.18 0.00 0.00 0.02 -1.26 -1.11 135.00 139.88 3hii s PRO 387 Ca 0.31 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3hii s PRO 387 Cb -0.13 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3hii s PRO 387 CO 0.16 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3hii n GLY 388 N 3.58 3.16 0.55 0.52 0.00 0.11 -4.80 105.19 108.32 3hii n GLY 388 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3hii n GLY 388 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hii n ILE 389 N -0.81 0.64 -0.04 -0.61 5.41 -0.78 -4.68 119.36 118.50 3hii n ILE 389 Ca 0.00 0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.88 3hii n ILE 389 Cb 0.00 -1.58 -0.00 0.00 -0.71 0.00 0.00 39.64 37.35 3hii n ILE 389 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hii h ASP 390 N -0.23 0.82 -4.58 4.38 3.32 -1.44 -3.45 116.42 115.25 3hii h ASP 390 Ca 0.00 -0.45 -0.23 0.00 0.02 0.00 0.00 57.03 56.37 3hii h ASP 390 Cb 0.23 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 39.39 3hii h ASP 390 CO 0.00 1.21 -0.69 0.00 -1.72 0.00 0.00 179.24 178.04 3hii n PRO 392 N -0.07 0.16 0.26 0.00 -0.02 -1.26 0.05 135.00 134.12 3hii n PRO 392 Ca -0.11 0.12 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3hii n PRO 392 Cb 0.61 -2.28 0.85 0.00 -0.02 0.00 0.00 33.50 32.65 3hii n PRO 392 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hii h GLU 393 N -0.88 0.00 -0.01 -0.52 3.07 -1.87 -0.35 114.58 114.02 3hii h GLU 393 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3hii h GLU 393 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3hii h GLU 393 CO 0.44 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.30 3hii n THR 394 N -3.96 0.00 -2.19 1.13 -2.24 -1.26 -4.66 114.28 101.10 3hii n THR 394 Ca -0.02 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 3hii n THR 394 Cb 0.15 0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3hii n THR 394 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hii s ALA 395 N -2.00 2.75 -0.29 6.98 0.00 -0.14 -4.97 121.76 124.09 3hii s ALA 395 Ca 0.43 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 3hii s ALA 395 Cb 0.21 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3hii s ALA 395 CO 0.35 -0.70 0.85 0.99 0.00 0.00 0.00 175.76 177.24 3hii s THR 396 N -2.21 4.76 -0.13 0.00 2.01 -0.35 -4.94 115.64 114.78 3hii s THR 396 Ca 0.66 1.38 -0.10 0.00 0.31 0.00 0.00 61.69 63.95 3hii s THR 396 Cb -0.18 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 3hii s THR 396 CO 0.31 -0.24 0.19 -0.36 -0.69 0.00 0.00 174.62 173.83 3hii s PHE 397 N 3.04 3.54 -0.06 4.92 0.40 -1.26 -0.34 117.98 128.22 3hii s PHE 397 Ca 0.35 0.54 0.05 0.00 -0.60 0.00 0.00 56.93 57.27 3hii s PHE 397 Cb -0.14 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 3hii s PHE 397 CO 0.11 0.53 -0.22 -0.51 0.70 0.00 0.00 175.22 175.83 3hii s LEU 398 N -0.43 2.01 0.59 -0.37 1.43 0.40 -4.88 118.68 117.44 3hii s LEU 398 Ca 0.14 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3hii s LEU 398 Cb -0.12 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.87 3hii s LEU 398 CO 0.03 0.20 0.89 -1.81 0.23 0.00 0.00 176.35 175.89 3hii s ASP 399 N 0.01 5.54 0.24 2.29 1.11 -1.26 -0.45 116.67 124.15 3hii s ASP 399 Ca -0.06 0.65 -0.13 0.00 0.18 0.00 0.00 52.55 53.18 3hii s ASP 399 Cb -0.14 -1.62 -0.00 0.00 1.07 0.00 0.00 42.92 42.23 3hii s ASP 399 CO 0.04 -1.09 0.48 0.28 1.18 0.00 0.00 175.17 176.07 3hii s THR 400 N -2.98 0.01 -0.06 -1.27 -1.32 -0.78 -4.82 115.64 104.42 3hii s THR 400 Ca 0.54 -1.34 0.05 0.00 -1.21 0.00 0.00 61.69 59.73 3hii s THR 400 Cb -0.10 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.74 3hii s THR 400 CO 0.44 -0.03 -0.22 -0.36 -2.21 0.00 0.00 174.62 172.25 3hii s PHE 401 N -4.00 2.52 0.01 9.09 0.40 -1.26 0.25 117.98 124.98 3hii s PHE 401 Ca 0.21 -0.56 0.07 0.00 -0.60 0.00 0.00 56.93 56.04 3hii s PHE 401 Cb -0.01 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 3hii s PHE 401 CO 0.08 -0.11 -0.20 -1.01 0.70 0.00 0.00 175.22 174.67 3hii s HIS 402 N -0.28 1.78 -0.44 0.36 3.76 -0.41 -4.93 115.29 115.13 3hii s HIS 402 Ca 0.01 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.60 3hii s HIS 402 Cb -0.13 -1.12 0.12 0.00 1.11 0.00 0.00 32.58 32.56 3hii s HIS 402 CO 0.03 0.01 0.17 -0.47 -0.85 0.00 0.00 174.74 173.63 3hii s TYR 403 N -0.59 3.28 -0.12 1.40 5.04 -1.26 -0.29 117.35 124.80 3hii s TYR 403 Ca 0.07 -3.01 -0.04 0.00 -2.44 0.00 0.00 57.07 51.66 3hii s TYR 403 Cb -0.08 -2.76 0.06 0.00 0.35 0.00 0.00 41.96 39.53 3hii s TYR 403 CO 0.00 -0.83 0.19 -0.47 -1.34 0.00 0.00 175.55 173.10 3hii s TYR 404 N 0.29 -0.22 -1.27 4.97 5.04 -1.26 -2.12 117.35 122.79 3hii s TYR 404 Ca 0.14 0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 55.14 3hii s TYR 404 Cb -0.23 -0.27 0.01 0.00 0.35 0.00 0.00 41.96 41.82 3hii s TYR 404 CO -0.04 -0.37 0.59 -3.47 -1.34 0.00 0.00 175.55 170.92 3hii n ASP 405 N 5.33 -3.11 -3.97 4.32 2.03 0.29 -4.98 116.55 116.47 3hii n ASP 405 Ca -0.05 -1.11 -0.09 0.00 0.52 0.00 0.00 54.79 54.06 3hii n ASP 405 Cb 0.50 -2.69 -0.09 0.00 -0.72 0.00 0.00 41.12 38.12 3hii n ASP 405 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hii s ALA 406 N -3.70 0.10 0.05 -1.67 0.00 -1.26 -4.89 121.76 110.39 3hii s ALA 406 Ca 0.31 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3hii s ALA 406 Cb -0.14 0.29 -0.25 0.00 0.00 0.00 0.00 23.12 23.02 3hii s ALA 406 CO 0.91 -0.35 1.02 -0.44 0.00 0.00 0.00 175.76 176.90 3hii h ASP 407 N 3.43 0.22 -5.04 0.00 3.32 -1.94 -3.39 116.42 113.01 3hii h ASP 407 Ca -0.33 -0.27 -0.23 0.00 0.02 0.00 0.00 57.03 56.21 3hii h ASP 407 Cb 1.18 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 3hii h ASP 407 CO 0.55 1.22 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.84 3hii s ASP 408 N -6.80 0.69 0.31 6.45 1.01 -1.26 -4.93 116.67 112.14 3hii s ASP 408 Ca -0.04 -1.21 -0.29 0.00 0.71 0.00 0.00 52.55 51.72 3hii s ASP 408 Cb 0.08 0.22 -0.11 0.00 1.01 0.00 0.00 42.92 44.12 3hii s ASP 408 CO 0.84 -0.67 1.51 -2.84 0.21 0.00 0.00 175.17 174.23 3hii s PRO 409 N -4.00 4.16 -0.15 8.23 0.02 -1.26 -4.85 135.00 137.15 3hii s PRO 409 Ca 0.25 2.50 -0.03 0.00 0.02 0.00 0.00 61.00 63.74 3hii s PRO 409 Cb 0.07 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 3hii s PRO 409 CO 0.03 -0.53 -0.06 0.08 -0.33 0.00 0.00 177.00 176.19 3hii s VAL 410 N -0.43 3.70 -0.05 3.83 1.01 0.60 -3.96 120.40 125.09 3hii s VAL 410 Ca 0.58 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3hii s VAL 410 Cb -0.46 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3hii s VAL 410 CO 0.52 0.50 1.14 -2.28 0.00 0.00 0.00 175.10 174.98 3hii s HIS 411 N 0.33 3.32 -0.37 5.22 2.46 0.16 -1.28 115.29 125.13 3hii s HIS 411 Ca -0.06 1.34 -0.04 0.00 0.47 0.00 0.00 55.06 56.78 3hii s HIS 411 Cb -0.15 -3.35 0.08 0.00 -0.13 0.00 0.00 32.58 29.04 3hii s HIS 411 CO 0.04 -0.96 0.13 0.71 -2.47 0.00 0.00 174.74 172.19 3hii s TYR 412 N 1.99 3.41 0.29 3.88 1.51 0.14 -2.95 117.35 125.62 3hii s TYR 412 Ca 0.54 -2.00 -0.29 0.00 -1.01 0.00 0.00 57.07 54.31 3hii s TYR 412 Cb -0.23 -2.71 -0.10 0.00 -0.11 0.00 0.00 41.96 38.81 3hii s TYR 412 CO 0.22 -0.87 1.20 -1.25 -1.11 0.00 0.00 175.55 173.74 3hii s PRO 413 N 1.25 4.50 -1.32 -1.71 0.04 -1.26 -1.87 135.00 134.63 3hii s PRO 413 Ca 0.02 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 3hii s PRO 413 Cb -0.21 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3hii s PRO 413 CO -0.01 0.00 0.54 0.54 0.04 0.00 0.00 177.00 178.11 3hii n ARG 414 N 1.22 -2.45 0.09 4.56 1.74 -1.23 -4.04 116.66 116.55 3hii n ARG 414 Ca 0.00 0.39 -0.11 0.00 -0.77 0.00 0.00 57.85 57.37 3hii n ARG 414 Cb 0.43 -4.26 -0.07 0.00 -1.02 0.00 0.00 32.46 27.55 3hii n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hii h ALA 415 N 0.89 0.36 -2.13 7.54 0.00 -0.85 0.01 119.26 125.08 3hii h ALA 415 Ca -0.65 -0.80 -0.44 0.00 0.00 0.00 0.00 54.91 53.02 3hii h ALA 415 Cb 1.37 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3hii h ALA 415 CO 0.58 0.99 -0.67 -0.51 0.00 0.00 0.00 179.25 179.64 3hii s LEU 416 N -7.23 2.36 0.03 0.00 1.02 -0.88 -4.25 118.68 109.74 3hii s LEU 416 Ca -0.03 -1.20 -0.00 0.00 0.02 0.00 0.00 54.13 52.93 3hii s LEU 416 Cb 0.09 -0.47 -0.03 0.00 0.02 0.00 0.00 46.19 45.80 3hii s LEU 416 CO 0.84 -0.42 -0.03 0.00 0.02 0.00 0.00 176.35 176.76 3hii s LEU 418 N -1.87 1.38 -0.03 0.00 2.96 0.54 -1.24 118.68 120.43 3hii s LEU 418 Ca -0.09 -0.26 -0.28 0.00 -0.22 0.00 0.00 54.13 53.28 3hii s LEU 418 Cb -0.05 -0.75 0.06 0.00 0.50 0.00 0.00 46.19 45.95 3hii s LEU 418 CO -0.03 -0.04 0.61 0.72 -1.32 0.00 0.00 176.35 176.29 3hii s PHE 419 N 1.12 -0.57 -0.13 5.38 -0.12 -0.21 -1.21 117.98 122.24 3hii s PHE 419 Ca -0.06 0.91 -0.08 0.00 -0.05 0.00 0.00 56.93 57.66 3hii s PHE 419 Cb -0.14 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 3hii s PHE 419 CO -0.01 -0.60 0.14 -2.00 -0.05 0.00 0.00 175.22 172.70 3hii s GLU 420 N -1.46 3.54 -0.04 1.99 2.12 -1.26 0.13 118.70 123.73 3hii s GLU 420 Ca -0.10 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 3hii s GLU 420 Cb -0.01 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.17 3hii s GLU 420 CO 0.07 0.72 0.12 0.00 -0.54 0.00 0.00 175.26 175.62 3hii s MET 421 N -0.85 0.18 0.28 4.30 0.23 -0.58 -4.97 119.30 117.88 3hii s MET 421 Ca 0.14 0.08 -0.30 0.00 -1.03 0.00 0.00 55.69 54.58 3hii s MET 421 Cb -0.12 0.08 -0.10 0.00 -1.53 0.00 0.00 34.83 33.16 3hii s MET 421 CO 0.03 -0.03 1.48 -1.25 -2.03 0.00 0.00 175.02 173.22 3hii s PRO 422 N -0.15 4.22 0.30 3.16 0.04 -1.26 -1.78 135.00 139.53 3hii s PRO 422 Ca -0.02 2.39 0.25 0.00 0.04 0.00 0.00 61.00 63.66 3hii s PRO 422 Cb -0.02 -3.07 0.57 0.00 0.04 0.00 0.00 34.50 32.02 3hii s PRO 422 CO 0.00 -0.47 1.67 1.79 0.04 0.00 0.00 177.00 180.03 3hii h THR 423 N 3.42 0.00 -0.01 1.26 1.35 -1.81 -3.48 112.91 113.64 3hii h THR 423 Ca -0.47 -0.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.67 3hii h THR 423 Cb 1.22 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3hii h THR 423 CO 0.76 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3hii n GLY 424 N 1.22 0.47 2.90 5.82 0.00 -1.26 -5.01 105.19 109.33 3hii n GLY 424 Ca 0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3hii n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hii s VAL 425 N -1.94 -0.06 0.58 1.61 0.11 -1.26 -5.04 120.40 114.40 3hii s VAL 425 Ca 0.00 0.19 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 3hii s VAL 425 Cb 0.00 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 3hii s VAL 425 CO 0.00 0.08 1.34 -2.16 -3.33 0.00 0.00 175.10 171.03 3hii s PRO 426 N 1.21 2.95 0.26 1.54 0.04 -1.26 -3.44 135.00 136.30 3hii s PRO 426 Ca -0.09 2.20 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 3hii s PRO 426 Cb -0.12 -2.13 0.32 0.00 0.04 0.00 0.00 34.50 32.62 3hii s PRO 426 CO -0.06 -1.33 1.80 1.25 0.04 0.00 0.00 177.00 178.71 3hii h LEU 427 N 1.17 0.86 -7.19 -3.56 6.46 -0.91 -3.44 115.31 108.71 3hii h LEU 427 Ca -0.51 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.01 3hii h LEU 427 Cb 1.31 -0.23 -0.19 0.00 -0.73 0.00 0.00 40.66 40.83 3hii h LEU 427 CO 0.56 0.83 0.02 0.00 -0.62 0.00 0.00 178.44 179.23 3hii s ARG 428 N -5.26 0.93 0.03 1.25 1.70 -1.24 -5.02 118.95 111.33 3hii s ARG 428 Ca -0.10 0.07 -0.24 0.00 -0.47 0.00 0.00 55.73 54.99 3hii s ARG 428 Cb 0.15 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 35.02 3hii s ARG 428 CO 0.81 -0.28 0.55 -0.98 -1.08 0.00 0.00 175.30 174.31 3hii s ARG 429 N -1.33 1.03 -0.20 3.89 1.04 -1.26 -1.18 118.95 120.93 3hii s ARG 429 Ca -0.11 -0.14 -0.13 0.00 -1.04 0.00 0.00 55.73 54.31 3hii s ARG 429 Cb -0.02 0.47 0.06 0.00 -2.04 0.00 0.00 34.95 33.43 3hii s ARG 429 CO 0.07 -0.36 0.50 -1.58 -0.04 0.00 0.00 175.30 173.89 3hii s HIS 430 N -2.17 -0.71 -0.40 5.89 2.46 -0.17 -5.00 115.29 115.18 3hii s HIS 430 Ca -0.07 1.52 -0.13 0.00 0.47 0.00 0.00 55.06 56.86 3hii s HIS 430 Cb -0.01 0.35 0.04 0.00 -0.13 0.00 0.00 32.58 32.83 3hii s HIS 430 CO 0.01 -0.38 0.26 0.12 -2.47 0.00 0.00 174.74 172.28 3hii s PHE 431 N 1.24 3.25 -0.96 3.88 2.19 -1.26 -1.87 117.98 124.45 3hii s PHE 431 Ca -0.08 -0.90 -0.16 0.00 0.33 0.00 0.00 56.93 56.12 3hii s PHE 431 Cb -0.07 -2.62 0.17 0.00 -1.31 0.00 0.00 43.02 39.19 3hii s PHE 431 CO -0.12 -0.67 1.09 1.21 1.83 0.00 0.00 175.22 178.56 3hii s ASN 432 N 1.77 6.76 0.53 6.13 3.84 -0.28 -5.02 114.94 128.67 3hii s ASN 432 Ca 0.03 -2.42 -0.20 0.00 0.21 0.00 0.00 52.86 50.48 3hii s ASN 432 Cb -0.20 -2.35 -0.06 0.00 -0.55 0.00 0.00 41.25 38.10 3hii s ASN 432 CO 0.07 -0.86 1.17 -0.55 -2.79 0.00 0.00 177.10 174.14 3hii s SER 433 N 3.05 5.70 0.00 -4.21 0.15 -1.26 -0.21 113.70 116.92 3hii s SER 433 Ca 0.31 2.28 0.26 0.00 0.70 0.00 0.00 55.95 59.50 3hii s SER 433 Cb -0.06 -2.59 0.57 0.00 -1.71 0.00 0.00 66.02 62.22 3hii s SER 433 CO -0.08 -1.24 1.46 -0.46 1.20 0.00 0.00 173.24 174.12 3hii n ASN 434 N -1.13 1.76 -1.12 5.45 0.23 -0.51 -4.60 115.26 115.34 3hii n ASN 434 Ca 0.11 -1.42 -0.15 0.00 -0.53 0.00 0.00 54.58 52.60 3hii n ASN 434 Cb 0.50 0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 38.28 3hii n ASN 434 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3hii n PHE 435 N 0.11 0.00 -2.60 -2.53 3.01 -1.26 -4.82 117.46 109.38 3hii n PHE 435 Ca 0.14 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.50 3hii n PHE 435 Cb 0.43 -2.86 0.03 0.00 -0.01 0.00 0.00 39.48 37.07 3hii n PHE 435 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hii n LYS 436 N -1.82 2.14 -0.98 -1.08 5.02 -1.26 -4.94 118.16 115.25 3hii n LYS 436 Ca -0.15 -3.68 0.00 0.00 -2.02 0.00 0.00 58.31 52.46 3hii n LYS 436 Cb 0.58 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3hii n LYS 436 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hii n GLY 437 N -0.48 0.53 0.00 0.72 0.00 -1.26 -4.97 105.19 99.73 3hii n GLY 437 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hii n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hii n GLY 438 N -2.93 4.44 3.18 -0.02 0.00 -1.26 -5.06 105.19 103.54 3hii n GLY 438 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3hii n GLY 438 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hii s PHE 439 N -1.00 0.15 -0.13 1.61 -0.00 -1.26 -1.42 117.98 115.92 3hii s PHE 439 Ca 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 56.93 56.43 3hii s PHE 439 Cb 0.00 -0.08 -0.24 0.00 -0.00 0.00 0.00 43.02 42.70 3hii s PHE 439 CO 0.00 -0.47 0.30 0.09 -0.00 0.00 0.00 175.22 175.14 3hii n ASN 440 N 0.31 1.79 -3.55 1.98 3.02 0.71 -4.67 115.26 114.85 3hii n ASN 440 Ca -0.17 0.18 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3hii n ASN 440 Cb 0.61 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3hii n ASN 440 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hii s PHE 441 N -2.56 -0.25 -0.10 3.10 -0.71 -1.22 -4.30 117.98 111.94 3hii s PHE 441 Ca -0.21 0.14 0.02 0.00 -1.04 0.00 0.00 56.93 55.84 3hii s PHE 441 Cb 0.07 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 3hii s PHE 441 CO 0.75 -0.44 -0.18 -0.47 -1.34 0.00 0.00 175.22 173.55 3hii s TYR 442 N -2.87 2.69 -0.06 3.49 5.04 -0.60 -1.13 117.35 123.90 3hii s TYR 442 Ca 0.07 -0.69 0.04 0.00 -2.44 0.00 0.00 57.07 54.05 3hii s TYR 442 Cb -0.01 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.55 3hii s TYR 442 CO -0.07 -0.21 -0.20 0.00 -1.34 0.00 0.00 175.55 173.73 3hii s ALA 443 N 0.14 1.77 -0.01 3.97 0.00 -0.78 -0.11 121.76 126.73 3hii s ALA 443 Ca -0.09 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 3hii s ALA 443 Cb -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3hii s ALA 443 CO 0.06 0.28 0.29 0.20 0.00 0.00 0.00 175.76 176.59 3hii s GLY 444 N 0.19 -0.14 -0.21 0.00 0.00 -0.31 -1.00 107.32 105.85 3hii s GLY 444 Ca -0.10 0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.93 3hii s GLY 444 CO 0.04 0.10 -0.07 -2.27 0.00 0.00 0.00 173.10 170.90 3hii s LEU 445 N -1.29 2.34 0.24 0.66 2.96 -0.32 -1.09 118.68 122.18 3hii s LEU 445 Ca -0.13 -1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 3hii s LEU 445 Cb -0.05 -1.16 -0.15 0.00 0.50 0.00 0.00 46.19 45.33 3hii s LEU 445 CO 0.04 -0.20 1.10 1.17 -1.32 0.00 0.00 176.35 177.15 3hii n LYS 446 N 4.70 1.34 -2.64 1.98 4.81 -1.26 -0.40 118.16 126.70 3hii n LYS 446 Ca -0.13 0.47 -0.42 0.00 -0.87 0.00 0.00 58.31 57.36 3hii n LYS 446 Cb 0.45 -1.92 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 3hii n LYS 446 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3hii s GLY 447 N -0.27 2.55 0.06 3.14 0.00 -1.22 -4.30 107.32 107.28 3hii s GLY 447 Ca 0.65 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.91 3hii s GLY 447 CO 0.56 1.88 -0.06 1.20 0.00 0.00 0.00 173.10 176.68 3hii s GLN 448 N 1.52 0.59 0.02 2.90 -1.52 -1.26 -2.48 119.66 119.42 3hii s GLN 448 Ca 0.52 -0.96 -0.02 0.00 -1.95 0.00 0.00 55.36 52.95 3hii s GLN 448 Cb -0.22 -0.13 -0.01 0.00 -0.22 0.00 0.00 33.01 32.43 3hii s GLN 448 CO 0.24 -0.01 0.02 0.54 -0.25 0.00 0.00 175.29 175.83 3hii s VAL 449 N -2.37 0.11 -0.16 1.09 0.11 -0.73 -4.31 120.40 114.14 3hii s VAL 449 Ca -0.03 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.00 3hii s VAL 449 Cb -0.03 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3hii s VAL 449 CO -0.03 -0.48 0.30 -0.22 -3.33 0.00 0.00 175.10 171.34 3hii s LEU 450 N -1.51 4.25 -0.12 2.54 2.96 -0.19 -1.53 118.68 125.08 3hii s LEU 450 Ca -0.15 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3hii s LEU 450 Cb -0.08 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.21 3hii s LEU 450 CO -0.01 0.09 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.21 3hii s VAL 451 N 0.47 2.19 -0.22 1.68 1.01 0.12 -0.35 120.40 125.30 3hii s VAL 451 Ca 0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3hii s VAL 451 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3hii s VAL 451 CO 0.04 0.55 -0.02 -0.22 0.00 0.00 0.00 175.10 175.46 3hii s LEU 452 N 0.54 3.04 0.01 3.92 2.96 -0.01 -1.05 118.68 128.09 3hii s LEU 452 Ca -0.13 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3hii s LEU 452 Cb -0.17 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3hii s LEU 452 CO 0.04 -0.01 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.38 3hii s ARG 453 N 1.45 0.60 0.31 1.98 3.52 -0.37 -1.00 118.95 125.43 3hii s ARG 453 Ca 0.05 -0.37 0.06 0.00 -0.13 0.00 0.00 55.73 55.34 3hii s ARG 453 Cb -0.14 -0.55 -0.02 0.00 -1.56 0.00 0.00 34.95 32.67 3hii s ARG 453 CO -0.01 0.14 0.22 -2.37 -0.81 0.00 0.00 175.30 172.47 3hii n THR 454 N 2.61 0.00 -4.33 4.11 5.66 -0.57 -1.26 114.28 120.51 3hii n THR 454 Ca -0.15 -2.14 -0.17 0.00 -3.05 0.00 0.00 64.05 58.54 3hii n THR 454 Cb 0.57 0.99 -0.10 0.00 -1.55 0.00 0.00 70.33 70.23 3hii n THR 454 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hii s THR 455 N -3.12 0.60 -0.07 1.09 -4.23 -1.26 -0.68 115.64 107.97 3hii s THR 455 Ca 0.31 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3hii s THR 455 Cb 0.01 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.25 3hii s THR 455 CO 0.22 0.00 0.13 -0.94 -0.54 0.00 0.00 174.62 173.49 3hii s SER 456 N -3.33 0.63 -0.44 3.99 1.04 0.00 -3.97 113.70 111.62 3hii s SER 456 Ca 0.38 0.26 0.03 0.00 0.48 0.00 0.00 55.95 57.10 3hii s SER 456 Cb 0.08 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.48 3hii s SER 456 CO 0.14 -0.22 0.18 -0.89 0.98 0.00 0.00 173.24 173.43 3hii s THR 457 N 2.00 2.64 0.13 2.02 2.01 -0.82 -0.86 115.64 122.75 3hii s THR 457 Ca 0.01 -2.72 -0.13 0.00 0.31 0.00 0.00 61.69 59.15 3hii s THR 457 Cb -0.12 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3hii s THR 457 CO -0.05 -0.71 1.49 1.62 -0.69 0.00 0.00 174.62 176.28 3hii h VAL 458 N 6.06 1.28 0.00 3.82 3.04 -1.94 -3.45 116.25 125.06 3hii h VAL 458 Ca -0.06 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 3hii h VAL 458 Cb 0.97 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 3hii h VAL 458 CO 0.62 0.46 0.00 0.00 -1.01 0.00 0.00 177.57 177.64 3hii n TYR 459 N -4.23 0.00 1.25 3.17 9.36 -1.26 -5.11 117.16 120.34 3hii n TYR 459 Ca -0.02 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.26 3hii n TYR 459 Cb 0.45 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 39.38 3hii n TYR 459 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3hii n ASN 460 N -0.40 1.35 -3.58 2.98 6.94 -1.26 -4.96 115.26 116.33 3hii n ASN 460 Ca 0.00 -1.87 -0.00 0.00 -0.02 0.00 0.00 54.58 52.69 3hii n ASN 460 Cb 0.00 -0.14 -0.04 0.00 -2.36 0.00 0.00 39.78 37.24 3hii n ASN 460 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3hii s ASP 462 N -1.21 -1.12 -0.04 0.53 1.11 -0.36 -0.01 116.67 115.57 3hii s ASP 462 Ca 0.23 1.44 -0.16 0.00 0.18 0.00 0.00 52.55 54.23 3hii s ASP 462 Cb 0.12 2.24 -0.05 0.00 1.07 0.00 0.00 42.92 46.29 3hii s ASP 462 CO 0.17 -0.21 0.45 -0.31 1.18 0.00 0.00 175.17 176.44 3hii s TYR 463 N 2.86 3.65 -0.25 4.23 1.51 -0.04 -1.07 117.35 128.24 3hii s TYR 463 Ca -0.03 0.97 -0.04 0.00 -1.01 0.00 0.00 57.07 56.97 3hii s TYR 463 Cb -0.12 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 39.33 3hii s TYR 463 CO -0.19 0.45 -0.02 0.42 -1.11 0.00 0.00 175.55 175.10 3hii s ILE 464 N -0.41 3.29 -0.26 2.71 1.01 -0.04 -0.82 121.20 126.68 3hii s ILE 464 Ca 0.25 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3hii s ILE 464 Cb -0.16 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3hii s ILE 464 CO 0.12 0.25 0.10 0.26 0.00 0.00 0.00 174.94 175.68 3hii s TRP 465 N 1.42 3.12 0.01 3.97 0.52 0.14 -1.09 118.94 127.03 3hii s TRP 465 Ca 0.03 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 55.85 3hii s TRP 465 Cb -0.16 -2.28 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 3hii s TRP 465 CO -0.03 -0.35 -0.23 -0.51 0.02 0.00 0.00 176.95 175.85 3hii s ASP 466 N 1.63 3.37 -0.11 2.95 1.01 0.08 -1.51 116.67 124.10 3hii s ASP 466 Ca 0.06 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.88 3hii s ASP 466 Cb -0.16 -0.44 0.01 0.00 1.01 0.00 0.00 42.92 43.34 3hii s ASP 466 CO 0.05 0.29 -0.17 -0.36 0.21 0.00 0.00 175.17 175.19 3hii s PHE 467 N -0.75 2.09 -0.06 4.23 0.40 -0.17 -1.54 117.98 122.17 3hii s PHE 467 Ca 0.12 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 3hii s PHE 467 Cb -0.10 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.95 3hii s PHE 467 CO 0.01 -0.47 -0.16 0.42 0.70 0.00 0.00 175.22 175.72 3hii s ILE 468 N 0.87 1.43 -0.17 0.64 1.01 0.25 -0.83 121.20 124.40 3hii s ILE 468 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3hii s ILE 468 Cb -0.15 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.09 3hii s ILE 468 CO -0.00 0.42 -0.12 -0.36 0.00 0.00 0.00 174.94 174.88 3hii s PHE 469 N 0.36 2.29 0.26 3.97 0.40 0.52 -0.21 117.98 125.58 3hii s PHE 469 Ca -0.11 -1.41 -0.06 0.00 -0.60 0.00 0.00 56.93 54.75 3hii s PHE 469 Cb -0.15 -1.62 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 3hii s PHE 469 CO 0.04 -0.71 0.54 0.71 0.70 0.00 0.00 175.22 176.50 3hii s TYR 470 N 1.44 3.47 -0.34 0.36 1.51 0.20 -1.02 117.35 122.97 3hii s TYR 470 Ca 0.02 0.67 0.22 0.00 -1.01 0.00 0.00 57.07 56.97 3hii s TYR 470 Cb -0.14 -2.12 1.06 0.00 -0.11 0.00 0.00 41.96 40.64 3hii s TYR 470 CO -0.09 0.22 1.66 -2.30 -1.11 0.00 0.00 175.55 173.92 3hii n PRO 471 N -0.70 0.16 -1.02 -1.71 -0.02 -1.26 -2.50 135.00 127.95 3hii n PRO 471 Ca -0.01 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 3hii n PRO 471 Cb 0.53 -1.91 0.30 0.00 -0.02 0.00 0.00 33.50 32.40 3hii n PRO 471 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hii n ASN 472 N -2.22 4.78 0.00 2.55 6.94 -1.26 -4.07 115.26 121.98 3hii n ASN 472 Ca 0.00 -3.20 0.00 0.00 -0.02 0.00 0.00 54.58 51.36 3hii n ASN 472 Cb 0.11 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 3hii n ASN 472 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hii n GLY 473 N -0.16 0.80 3.70 4.83 0.00 -1.04 -4.67 105.19 108.65 3hii n GLY 473 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 3hii n GLY 473 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hii s VAL 474 N -3.14 5.03 0.17 1.61 1.01 -1.25 -4.41 120.40 119.41 3hii s VAL 474 Ca 0.00 1.37 0.10 0.00 0.00 0.00 0.00 61.98 63.45 3hii s VAL 474 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3hii s VAL 474 CO 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 175.10 175.09 3hii s MET 475 N 1.22 1.65 -0.01 2.72 0.23 -0.76 -0.63 119.30 123.72 3hii s MET 475 Ca 0.35 -1.40 0.01 0.00 -1.03 0.00 0.00 55.69 53.62 3hii s MET 475 Cb -0.17 -1.96 -0.00 0.00 -1.53 0.00 0.00 34.83 31.17 3hii s MET 475 CO 0.15 0.43 -0.04 -2.00 -2.03 0.00 0.00 175.02 171.52 3hii s GLU 476 N -2.54 0.37 -0.03 3.16 2.12 0.71 -0.27 118.70 122.21 3hii s GLU 476 Ca 0.20 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.37 3hii s GLU 476 Cb -0.09 -0.37 -0.04 0.00 0.26 0.00 0.00 34.13 33.90 3hii s GLU 476 CO 0.10 0.08 0.08 0.00 -0.54 0.00 0.00 175.26 174.98 3hii s ALA 477 N -0.04 3.57 -0.11 6.30 0.00 -0.05 -0.58 121.76 130.85 3hii s ALA 477 Ca 0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3hii s ALA 477 Cb -0.02 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.51 3hii s ALA 477 CO -0.00 0.66 0.29 0.21 0.00 0.00 0.00 175.76 176.92 3hii s LYS 478 N -1.49 0.33 -0.07 0.00 2.20 -0.59 -2.22 119.74 117.91 3hii s LYS 478 Ca 0.20 0.41 0.05 0.00 -0.36 0.00 0.00 55.97 56.27 3hii s LYS 478 Cb -0.12 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 3hii s LYS 478 CO 0.11 -0.04 -0.24 1.41 -0.36 0.00 0.00 175.35 176.22 3hii s MET 479 N 0.18 2.73 -0.04 4.03 -2.45 -0.06 -0.74 119.30 122.96 3hii s MET 479 Ca -0.00 -0.89 0.05 0.00 -1.25 0.00 0.00 55.69 53.60 3hii s MET 479 Cb -0.02 -2.22 -0.02 0.00 1.25 0.00 0.00 34.83 33.81 3hii s MET 479 CO 0.00 0.32 -0.18 -1.01 1.05 0.00 0.00 175.02 175.20 3hii s HIS 480 N -0.00 2.59 -0.16 4.11 0.09 -0.25 -1.98 115.29 119.69 3hii s HIS 480 Ca -0.08 -0.25 -0.06 0.00 -0.00 0.00 0.00 55.06 54.67 3hii s HIS 480 Cb -0.15 -1.59 -0.04 0.00 -0.00 0.00 0.00 32.58 30.80 3hii s HIS 480 CO 0.05 0.11 0.04 0.00 -0.00 0.00 0.00 174.74 174.95 3hii s ALA 481 N -0.68 3.37 0.00 -1.40 0.00 -0.92 -0.86 121.76 121.27 3hii s ALA 481 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3hii s ALA 481 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3hii s ALA 481 CO 0.00 0.28 0.00 -2.37 0.00 0.00 0.00 175.76 173.68 3hii n THR 482 N 3.19 0.00 -4.04 0.00 5.66 -0.24 -3.99 114.28 114.87 3hii n THR 482 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3hii n THR 482 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 3hii n THR 482 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hii n GLY 483 N 0.00 -1.22 3.84 1.09 0.00 -1.23 -1.23 105.19 106.45 3hii n GLY 483 Ca 0.00 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 3hii n GLY 483 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hii s TYR 484 N 0.00 3.65 0.68 1.61 1.51 0.99 -1.27 117.35 124.52 3hii s TYR 484 Ca 0.00 0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 56.68 3hii s TYR 484 Cb 0.00 -2.14 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 3hii s TYR 484 CO 0.00 0.65 1.10 0.14 -1.11 0.00 0.00 175.55 176.33 3hii s VAL 485 N -0.91 3.33 -0.26 0.71 -7.23 -1.26 -4.70 120.40 110.08 3hii s VAL 485 Ca 0.19 0.57 -0.28 0.00 -1.81 0.00 0.00 61.98 60.65 3hii s VAL 485 Cb -0.14 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.72 3hii s VAL 485 CO 0.08 -0.44 0.99 -2.28 -0.31 0.00 0.00 175.10 173.15 3hii s HIS 486 N -2.51 3.28 0.06 2.82 2.46 -1.26 -4.86 115.29 115.29 3hii s HIS 486 Ca 0.65 1.29 0.01 0.00 0.47 0.00 0.00 55.06 57.48 3hii s HIS 486 Cb -0.19 -3.32 -0.03 0.00 -0.13 0.00 0.00 32.58 28.90 3hii s HIS 486 CO 0.45 -0.54 -0.06 0.00 -2.47 0.00 0.00 174.74 172.12 3hii s ALA 487 N 3.22 0.67 0.34 1.58 0.00 -1.26 -3.63 121.76 122.68 3hii s ALA 487 Ca 0.42 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3hii s ALA 487 Cb -0.14 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3hii s ALA 487 CO 0.09 -0.19 0.18 0.95 0.00 0.00 0.00 175.76 176.79 3hii s THR 488 N -2.79 0.31 0.17 0.00 -4.23 -0.77 -4.92 115.64 103.41 3hii s THR 488 Ca 0.01 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.22 3hii s THR 488 Cb -0.00 -2.47 -0.08 0.00 1.34 0.00 0.00 72.50 71.29 3hii s THR 488 CO -0.04 0.00 1.19 0.12 -0.54 0.00 0.00 174.62 175.35 3hii s PHE 489 N -3.47 3.44 0.04 3.99 5.36 -1.26 -0.74 117.98 125.34 3hii s PHE 489 Ca 0.34 1.42 -0.31 0.00 -0.96 0.00 0.00 56.93 57.43 3hii s PHE 489 Cb 0.04 -3.42 -0.07 0.00 -0.34 0.00 0.00 43.02 39.23 3hii s PHE 489 CO 0.19 -1.16 1.54 -0.47 -1.46 0.00 0.00 175.22 173.86 3hii s TYR 490 N 0.07 2.65 0.10 10.12 6.14 -0.41 -4.63 117.35 131.39 3hii s TYR 490 Ca 0.53 0.56 0.02 0.00 0.64 0.00 0.00 57.07 58.82 3hii s TYR 490 Cb -0.32 -3.83 -0.04 0.00 0.42 0.00 0.00 41.96 38.19 3hii s TYR 490 CO 0.35 -3.21 -0.06 0.95 0.64 0.00 0.00 175.55 174.22 3hii s THR 491 N 2.44 0.68 0.35 4.34 -4.23 -1.26 -4.89 115.64 113.07 3hii s THR 491 Ca 0.69 -1.93 0.12 0.00 -1.18 0.00 0.00 61.69 59.40 3hii s THR 491 Cb -0.36 -1.68 0.34 0.00 1.34 0.00 0.00 72.50 72.14 3hii s THR 491 CO 0.30 -0.88 1.77 -0.65 -0.54 0.00 0.00 174.62 174.62 3hii h PRO 492 N 2.98 0.54 0.00 3.99 0.11 -2.02 -1.02 132.00 136.57 3hii h PRO 492 Ca -0.35 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3hii h PRO 492 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hii h PRO 492 CO 0.65 0.36 -0.07 0.93 -0.21 0.00 0.00 178.00 179.65 3hii h GLU 493 N 0.56 0.00 0.00 1.05 3.07 -1.99 -2.08 114.58 115.18 3hii h GLU 493 Ca 0.59 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.44 3hii h GLU 493 Cb 1.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3hii h GLU 493 CO -0.36 0.07 -0.05 0.78 -1.40 0.00 0.00 179.01 178.05 3hii h GLY 494 N 0.30 0.00 2.00 -3.84 0.00 -1.55 -2.95 103.07 97.03 3hii h GLY 494 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hii h GLY 494 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 3hii h LEU 495 N 0.00 0.00 -0.16 3.11 3.38 -1.51 0.20 115.31 120.34 3hii h LEU 495 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hii h LEU 495 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hii h LEU 495 CO 0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.08 3hii n ARG 496 N -2.43 0.14 -0.55 1.13 1.74 -1.11 -4.02 116.66 111.56 3hii n ARG 496 Ca -0.00 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 3hii n ARG 496 Cb 0.13 -1.70 0.08 0.00 -1.02 0.00 0.00 32.46 29.95 3hii n ARG 496 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hii n HIS 497 N -1.96 0.00 -3.90 -1.55 8.25 0.68 -5.02 115.22 111.72 3hii n HIS 497 Ca 0.05 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3hii n HIS 497 Cb 0.33 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hii n HIS 497 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hii n GLY 498 N -0.51 -1.04 3.08 -1.41 0.00 -1.03 -0.11 105.19 104.18 3hii n GLY 498 Ca 0.09 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 3hii n GLY 498 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hii s THR 499 N -3.00 1.10 -0.07 2.61 2.01 -0.68 -4.42 115.64 113.19 3hii s THR 499 Ca 0.00 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 3hii s THR 499 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3hii s THR 499 CO 0.00 0.32 1.41 -0.60 -0.69 0.00 0.00 174.62 175.06 3hii s ARG 500 N -0.04 4.25 -0.01 4.92 3.52 -1.26 0.39 118.95 130.70 3hii s ARG 500 Ca -0.00 1.91 0.10 0.00 -0.13 0.00 0.00 55.73 57.61 3hii s ARG 500 Cb -0.08 -3.74 -0.15 0.00 -1.56 0.00 0.00 34.95 29.42 3hii s ARG 500 CO 0.01 -0.68 0.25 1.28 -0.81 0.00 0.00 175.30 175.35 3hii n LEU 501 N 6.21 0.06 0.00 -0.88 4.77 -0.32 -4.77 117.00 122.06 3hii n LEU 501 Ca 0.14 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 3hii n LEU 501 Cb 0.44 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3hii n LEU 501 CO 0.58 0.02 0.36 1.57 -1.33 0.00 0.00 177.39 178.59 3hii n HIS 502 N -1.77 -1.89 -0.18 -1.77 -0.00 -1.22 -4.90 115.22 103.48 3hii n HIS 502 Ca -0.01 -1.57 -0.01 0.00 0.46 0.00 0.00 57.72 56.59 3hii n HIS 502 Cb 0.25 0.67 0.08 0.00 -0.12 0.00 0.00 29.99 30.87 3hii n HIS 502 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 3hii h THR 503 N 1.79 0.56 -0.17 3.57 2.02 -1.99 -2.86 112.91 115.83 3hii h THR 503 Ca -0.26 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3hii h THR 503 Cb 0.97 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3hii h THR 503 CO 0.33 0.02 -0.06 1.41 0.37 0.00 0.00 175.52 177.59 3hii n HIS 504 N -5.24 0.58 -4.32 3.16 8.25 -1.26 -4.85 115.22 111.55 3hii n HIS 504 Ca 0.07 -1.12 -0.25 0.00 -0.26 0.00 0.00 57.72 56.16 3hii n HIS 504 Cb 0.31 -0.29 -0.17 0.00 1.12 0.00 0.00 29.99 30.96 3hii n HIS 504 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hii s LEU 505 N -2.97 1.46 -0.16 2.41 2.96 -1.08 -1.29 118.68 120.01 3hii s LEU 505 Ca 0.39 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3hii s LEU 505 Cb 0.34 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 3hii s LEU 505 CO 0.04 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.34 3hii s ILE 506 N 1.04 3.48 -0.51 6.68 -1.09 0.08 -1.18 121.20 129.71 3hii s ILE 506 Ca -0.08 -0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 57.61 3hii s ILE 506 Cb -0.15 -2.52 0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3hii s ILE 506 CO -0.01 0.49 0.90 -0.83 -1.23 0.00 0.00 174.94 174.26 3hii s GLY 507 N 0.56 1.47 0.32 6.18 0.00 0.16 -1.86 107.32 114.16 3hii s GLY 507 Ca -0.05 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 3hii s GLY 507 CO 0.03 1.97 1.35 -1.31 0.00 0.00 0.00 173.10 175.15 3hii s ASN 508 N 2.58 6.71 0.41 1.64 -0.87 -1.24 -1.68 114.94 122.49 3hii s ASN 508 Ca 0.31 2.72 -0.26 0.00 -1.57 0.00 0.00 52.86 54.06 3hii s ASN 508 Cb -0.12 -2.65 -0.08 0.00 -0.02 0.00 0.00 41.25 38.38 3hii s ASN 508 CO 0.21 -0.60 1.30 -0.51 -2.57 0.00 0.00 177.10 174.93 3hii s ILE 509 N -0.88 2.61 0.14 0.60 2.07 0.84 -4.54 121.20 122.04 3hii s ILE 509 Ca 0.52 0.54 -0.24 0.00 -1.41 0.00 0.00 60.65 60.05 3hii s ILE 509 Cb -0.41 -3.31 0.07 0.00 0.13 0.00 0.00 42.46 38.94 3hii s ILE 509 CO 0.52 0.07 0.77 -1.38 -1.91 0.00 0.00 174.94 173.01 3hii s HIS 510 N -1.27 -0.34 -0.09 3.50 -3.43 -0.99 -2.10 115.29 110.57 3hii s HIS 510 Ca 0.58 0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.96 3hii s HIS 510 Cb -0.38 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.36 3hii s HIS 510 CO 0.48 -0.85 -0.22 0.99 -2.00 0.00 0.00 174.74 173.15 3hii s THR 511 N -3.53 2.32 -0.12 -5.38 2.01 -0.78 -0.34 115.64 109.81 3hii s THR 511 Ca 0.06 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.92 3hii s THR 511 Cb -0.02 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 3hii s THR 511 CO -0.05 0.56 0.54 -1.00 -0.69 0.00 0.00 174.62 173.98 3hii s HIS 512 N 0.08 3.50 -0.02 4.92 3.76 -0.46 -1.53 115.29 125.54 3hii s HIS 512 Ca -0.10 0.95 0.02 0.00 -0.15 0.00 0.00 55.06 55.79 3hii s HIS 512 Cb -0.15 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.91 3hii s HIS 512 CO 0.06 0.11 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.47 3hii s LEU 513 N 0.83 1.83 -0.02 0.89 1.43 -0.62 -1.23 118.68 121.80 3hii s LEU 513 Ca 0.28 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3hii s LEU 513 Cb -0.16 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 3hii s LEU 513 CO 0.12 0.05 -0.14 -0.69 0.23 0.00 0.00 176.35 175.92 3hii s VAL 514 N 0.12 1.11 -0.10 -1.59 1.01 0.11 -0.41 120.40 120.66 3hii s VAL 514 Ca -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3hii s VAL 514 Cb -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3hii s VAL 514 CO -0.00 0.32 -0.14 -2.28 0.00 0.00 0.00 175.10 173.00 3hii s HIS 515 N -0.23 2.77 0.02 5.22 2.46 -0.39 -1.17 115.29 123.98 3hii s HIS 515 Ca 0.03 -0.47 0.07 0.00 0.47 0.00 0.00 55.06 55.16 3hii s HIS 515 Cb -0.06 -1.77 -0.03 0.00 -0.13 0.00 0.00 32.58 30.59 3hii s HIS 515 CO -0.00 -0.07 -0.21 0.71 -2.47 0.00 0.00 174.74 172.70 3hii s TYR 516 N -0.04 2.47 -0.23 3.88 1.51 -0.05 -0.50 117.35 124.40 3hii s TYR 516 Ca -0.03 -0.32 -0.10 0.00 -1.01 0.00 0.00 57.07 55.61 3hii s TYR 516 Cb -0.14 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 3hii s TYR 516 CO 0.04 0.17 0.15 0.50 -1.11 0.00 0.00 175.55 175.30 3hii s ARG 517 N -1.19 4.11 -0.51 -0.62 3.52 0.17 -1.34 118.95 123.08 3hii s ARG 517 Ca 0.13 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 3hii s ARG 517 Cb -0.10 -3.49 0.14 0.00 -1.56 0.00 0.00 34.95 29.94 3hii s ARG 517 CO 0.03 0.14 0.30 0.08 -0.81 0.00 0.00 175.30 175.04 3hii s VAL 518 N 0.82 1.92 -1.16 7.11 1.01 0.14 -1.45 120.40 128.79 3hii s VAL 518 Ca 0.08 -3.10 -0.17 0.00 0.00 0.00 0.00 61.98 58.79 3hii s VAL 518 Cb -0.13 -2.32 0.11 0.00 0.00 0.00 0.00 36.38 34.05 3hii s VAL 518 CO 0.02 -0.92 1.49 -0.62 0.00 0.00 0.00 175.10 175.07 3hii s ASP 519 N -0.19 6.83 0.16 3.32 2.15 0.79 -0.90 116.67 128.84 3hii s ASP 519 Ca 0.20 -2.42 -0.30 0.00 0.43 0.00 0.00 52.55 50.46 3hii s ASP 519 Cb -0.19 -2.49 -0.07 0.00 -0.30 0.00 0.00 42.92 39.87 3hii s ASP 519 CO -0.05 -1.06 1.10 -0.76 -0.17 0.00 0.00 175.17 174.24 3hii s LEU 520 N 3.16 4.48 -0.62 -1.34 1.43 -1.26 -1.08 118.68 123.45 3hii s LEU 520 Ca 0.45 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.67 3hii s LEU 520 Cb -0.00 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.79 3hii s LEU 520 CO -0.00 -0.23 0.47 0.47 0.23 0.00 0.00 176.35 177.28 3hii n ASP 521 N 2.52 2.03 -4.61 2.29 8.00 -0.03 -4.56 116.55 122.19 3hii n ASP 521 Ca 0.03 -2.98 -0.43 0.00 0.71 0.00 0.00 54.79 52.12 3hii n ASP 521 Cb 0.46 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 3hii n ASP 521 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hii s VAL 522 N -1.10 3.52 -1.51 2.53 1.01 -1.21 -2.54 120.40 121.10 3hii s VAL 522 Ca 0.28 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3hii s VAL 522 Cb -0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3hii s VAL 522 CO -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.55 3hii n ALA 523 N 9.83 -0.45 0.00 5.51 0.00 0.52 -4.55 120.51 131.36 3hii n ALA 523 Ca 0.22 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3hii n ALA 523 Cb 0.46 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3hii n ALA 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hii n GLY 524 N -0.56 3.21 0.25 0.00 0.00 -1.05 -4.86 105.19 102.17 3hii n GLY 524 Ca -0.17 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 3hii n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hii h THR 525 N 0.98 1.28 -3.75 2.61 1.03 -1.84 -3.40 112.91 109.83 3hii h THR 525 Ca 0.00 -1.62 -0.63 0.00 -0.01 0.00 0.00 66.41 64.15 3hii h THR 525 Cb 0.00 1.51 -0.15 0.00 -1.07 0.00 0.00 68.15 68.44 3hii h THR 525 CO 0.00 0.53 -0.31 -0.54 -0.01 0.00 0.00 175.52 175.19 3hii s LYS 526 N -4.27 4.01 0.25 0.00 1.02 -1.26 -3.81 119.74 115.69 3hii s LYS 526 Ca -0.10 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 55.87 3hii s LYS 526 Cb 0.11 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 3hii s LYS 526 CO 0.86 -0.23 0.07 -0.80 -0.92 0.00 0.00 175.35 174.33 3hii s ASN 527 N 1.62 1.34 0.37 2.83 0.02 0.97 -4.65 114.94 117.45 3hii s ASN 527 Ca 0.13 -1.34 0.05 0.00 -1.02 0.00 0.00 52.86 50.69 3hii s ASN 527 Cb -0.16 0.12 -0.07 0.00 0.02 0.00 0.00 41.25 41.16 3hii s ASN 527 CO 0.10 -0.68 0.03 -0.44 0.02 0.00 0.00 177.10 176.13 3hii s SER 528 N -3.31 3.21 -0.04 -1.22 0.01 -0.64 -1.34 113.70 110.37 3hii s SER 528 Ca 0.35 -1.38 0.06 0.00 1.31 0.00 0.00 55.95 56.29 3hii s SER 528 Cb 0.07 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 3hii s SER 528 CO 0.12 -0.53 -0.23 0.12 0.41 0.00 0.00 173.24 173.12 3hii s PHE 529 N -2.98 2.23 -0.05 2.43 5.36 -1.26 -1.23 117.98 122.49 3hii s PHE 529 Ca 0.35 -0.59 -0.13 0.00 -0.96 0.00 0.00 56.93 55.60 3hii s PHE 529 Cb 0.09 -1.46 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 3hii s PHE 529 CO 0.17 -0.16 0.30 -1.14 -1.46 0.00 0.00 175.22 172.93 3hii s GLN 530 N -0.25 0.56 0.15 10.12 0.74 -0.26 -3.24 119.66 127.47 3hii s GLN 530 Ca 0.00 0.02 0.09 0.00 0.05 0.00 0.00 55.36 55.52 3hii s GLN 530 Cb -0.12 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 3hii s GLN 530 CO 0.02 -0.13 -0.21 0.95 -0.55 0.00 0.00 175.29 175.37 3hii s THR 531 N -0.81 1.96 0.01 -0.34 -4.23 -0.79 -0.39 115.64 111.05 3hii s THR 531 Ca -0.09 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3hii s THR 531 Cb -0.04 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.93 3hii s THR 531 CO 0.03 -0.15 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.97 3hii s LEU 532 N -2.38 2.09 0.17 4.79 1.43 -0.90 -0.70 118.68 123.19 3hii s LEU 532 Ca 0.14 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3hii s LEU 532 Cb -0.08 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 3hii s LEU 532 CO 0.07 0.25 -0.01 -1.10 0.23 0.00 0.00 176.35 175.78 3hii s GLN 533 N -0.80 1.11 -0.13 1.70 1.11 -0.36 -2.91 119.66 119.38 3hii s GLN 533 Ca 0.09 -1.53 -0.15 0.00 0.01 0.00 0.00 55.36 53.78 3hii s GLN 533 Cb -0.09 -0.33 -0.05 0.00 -1.01 0.00 0.00 33.01 31.54 3hii s GLN 533 CO 0.00 -0.10 0.35 1.41 0.01 0.00 0.00 175.29 176.96 3hii s MET 534 N -3.89 4.21 -0.05 2.91 1.75 -1.26 -1.26 119.30 121.72 3hii s MET 534 Ca 0.23 0.22 0.03 0.00 -1.25 0.00 0.00 55.69 54.92 3hii s MET 534 Cb 0.06 -3.40 0.01 0.00 2.84 0.00 0.00 34.83 34.33 3hii s MET 534 CO 0.04 0.29 -0.13 0.21 -0.65 0.00 0.00 175.02 174.78 3hii s LYS 535 N 0.28 1.50 0.38 4.11 2.20 -0.37 -4.95 119.74 122.89 3hii s LYS 535 Ca 0.20 -0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 55.13 3hii s LYS 535 Cb -0.14 -1.30 -0.10 0.00 -1.51 0.00 0.00 37.83 34.78 3hii s LYS 535 CO 0.07 0.12 0.96 -0.51 -0.36 0.00 0.00 175.35 175.63 3hii s LEU 536 N 0.33 4.13 0.24 5.43 1.43 -1.26 0.25 118.68 129.23 3hii s LEU 536 Ca -0.08 1.79 0.11 0.00 -1.03 0.00 0.00 54.13 54.93 3hii s LEU 536 Cb -0.12 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3hii s LEU 536 CO 0.02 -0.26 -0.15 -1.83 0.23 0.00 0.00 176.35 174.37 3hii s GLU 537 N -2.62 1.84 -0.32 1.70 -1.05 0.31 -4.86 118.70 113.69 3hii s GLU 537 Ca 0.57 -1.56 0.01 0.00 -0.15 0.00 0.00 54.97 53.84 3hii s GLU 537 Cb -0.15 -1.94 0.10 0.00 -0.44 0.00 0.00 34.13 31.71 3hii s GLU 537 CO 0.19 0.37 0.08 1.21 0.95 0.00 0.00 175.26 178.06 3hii s ASN 538 N -3.25 4.29 0.38 0.83 3.84 -1.26 -1.20 114.94 118.58 3hii s ASN 538 Ca 0.27 -1.81 0.08 0.00 0.21 0.00 0.00 52.86 51.61 3hii s ASN 538 Cb -0.07 -1.16 -0.06 0.00 -0.55 0.00 0.00 41.25 39.41 3hii s ASN 538 CO 0.15 -0.40 0.03 0.27 -2.79 0.00 0.00 177.10 174.36 3hii s ILE 539 N 1.35 2.26 0.17 -5.21 -4.36 0.10 -4.95 121.20 110.56 3hii s ILE 539 Ca 0.10 -1.96 -0.31 0.00 -0.26 0.00 0.00 60.65 58.21 3hii s ILE 539 Cb -0.18 -2.89 -0.09 0.00 1.25 0.00 0.00 42.46 40.55 3hii s ILE 539 CO -0.18 -0.08 1.48 -0.89 0.24 0.00 0.00 174.94 175.51 3hii s THR 540 N -2.62 2.82 -0.17 8.37 2.01 -1.26 -0.54 115.64 124.25 3hii s THR 540 Ca 0.36 0.62 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 3hii s THR 540 Cb 0.05 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3hii s THR 540 CO 0.19 0.06 2.10 0.21 -0.69 0.00 0.00 174.62 176.50 3hii s ASN 541 N 0.91 5.75 0.00 3.53 3.84 -0.20 -4.59 114.94 124.17 3hii s ASN 541 Ca 0.66 2.01 0.09 0.00 0.21 0.00 0.00 52.86 55.83 3hii s ASN 541 Cb -0.41 -2.52 0.40 0.00 -0.55 0.00 0.00 41.25 38.17 3hii s ASN 541 CO 0.34 -1.71 1.25 -0.81 -2.79 0.00 0.00 177.10 173.39 3hii n PRO 542 N 8.41 0.03 -0.00 0.43 -0.04 -1.26 -2.11 135.00 140.46 3hii n PRO 542 Ca 0.27 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 64.04 3hii n PRO 542 Cb 0.44 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 3hii n PRO 542 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hii n TRP 543 N -1.45 0.00 -3.07 0.54 4.27 -1.26 -4.81 117.44 111.66 3hii n TRP 543 Ca 0.03 -0.04 -0.16 0.00 -3.89 0.00 0.00 57.50 53.44 3hii n TRP 543 Cb 0.10 -0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.00 3hii n TRP 543 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3hii n SER 544 N 0.03 -1.96 -0.12 -0.67 2.88 -0.89 -5.04 113.62 107.84 3hii n SER 544 Ca 0.01 -2.65 0.27 0.00 -1.33 0.00 0.00 58.87 55.16 3hii n SER 544 Cb 0.05 0.60 0.72 0.00 -0.75 0.00 0.00 64.21 64.82 3hii n SER 544 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hii h PRO 545 N 5.28 0.00 0.00 -1.46 0.11 -1.85 0.23 132.00 134.31 3hii h PRO 545 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hii h PRO 545 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hii h PRO 545 CO 0.20 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.53 3hii n ARG 546 N -4.11 0.61 -4.65 1.05 1.74 -1.26 -4.67 116.66 105.36 3hii n ARG 546 Ca 0.16 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 3hii n ARG 546 Cb 0.91 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.75 3hii n ARG 546 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hii s HIS 547 N -2.24 2.29 0.11 -1.55 3.76 0.80 -5.05 115.29 113.42 3hii s HIS 547 Ca 0.32 -0.78 0.11 0.00 -0.15 0.00 0.00 55.06 54.56 3hii s HIS 547 Cb 0.17 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 3hii s HIS 547 CO 0.33 0.36 -0.27 1.03 -0.85 0.00 0.00 174.74 175.33 3hii s ARG 548 N -3.77 1.49 -0.26 1.40 1.81 -1.26 -1.04 118.95 117.32 3hii s ARG 548 Ca 0.26 -1.30 -0.04 0.00 -1.72 0.00 0.00 55.73 52.93 3hii s ARG 548 Cb 0.07 -1.92 0.01 0.00 -0.45 0.00 0.00 34.95 32.66 3hii s ARG 548 CO 0.13 0.46 0.00 0.08 -0.68 0.00 0.00 175.30 175.30 3hii s VAL 549 N -1.01 3.45 -0.35 3.52 1.01 0.30 -4.62 120.40 122.69 3hii s VAL 549 Ca 0.14 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3hii s VAL 549 Cb -0.10 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.60 3hii s VAL 549 CO 0.05 0.21 0.14 -0.69 0.00 0.00 0.00 175.10 174.81 3hii s VAL 550 N 1.44 3.95 0.10 2.92 1.01 -1.26 -0.72 120.40 127.83 3hii s VAL 550 Ca 0.03 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3hii s VAL 550 Cb -0.16 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 3hii s VAL 550 CO -0.01 -0.23 0.21 0.00 0.00 0.00 0.00 175.10 175.07 3hii s GLN 551 N 1.43 0.89 0.37 2.72 -2.07 -0.34 -4.95 119.66 117.70 3hii s GLN 551 Ca -0.00 -0.97 -0.28 0.00 -1.82 0.00 0.00 55.36 52.29 3hii s GLN 551 Cb -0.20 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 31.97 3hii s GLN 551 CO 0.03 -0.29 1.39 -2.14 -1.32 0.00 0.00 175.29 172.97 3hii s PRO 552 N -3.87 4.16 0.23 9.60 0.02 -1.26 -0.53 135.00 143.35 3hii s PRO 552 Ca 0.06 2.38 0.06 0.00 0.02 0.00 0.00 61.00 63.52 3hii s PRO 552 Cb 0.05 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 3hii s PRO 552 CO -0.10 -0.41 -0.08 0.95 -0.33 0.00 0.00 177.00 177.03 3hii s THR 553 N -1.15 1.47 -0.29 0.99 -4.23 0.14 -4.82 115.64 107.76 3hii s THR 553 Ca 0.52 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 3hii s THR 553 Cb -0.43 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3hii s THR 553 CO 0.57 -0.46 0.21 -0.22 -0.54 0.00 0.00 174.62 174.19 3hii s LEU 554 N -3.34 4.10 -0.13 4.79 2.96 -1.26 -1.24 118.68 124.56 3hii s LEU 554 Ca 0.25 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 3hii s LEU 554 Cb 0.03 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3hii s LEU 554 CO 0.08 -0.09 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.22 3hii s GLU 555 N 1.78 3.40 -0.10 1.98 2.12 -0.39 -4.96 118.70 122.53 3hii s GLU 555 Ca 0.08 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3hii s GLU 555 Cb -0.16 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 3hii s GLU 555 CO 0.11 0.28 -0.12 1.14 -0.54 0.00 0.00 175.26 176.13 3hii s GLN 556 N 0.21 3.10 -0.12 4.30 1.03 -1.26 -1.23 119.66 125.69 3hii s GLN 556 Ca -0.06 -0.66 0.03 0.00 0.04 0.00 0.00 55.36 54.71 3hii s GLN 556 Cb -0.15 -2.58 0.01 0.00 0.03 0.00 0.00 33.01 30.32 3hii s GLN 556 CO 0.04 0.37 -0.23 0.99 -2.54 0.00 0.00 175.29 173.93 3hii s THR 557 N -0.06 2.08 0.36 3.63 2.01 0.13 -5.01 115.64 118.78 3hii s THR 557 Ca -0.02 -0.99 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 3hii s THR 557 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 3hii s THR 557 CO 0.04 0.55 0.57 -1.10 -0.69 0.00 0.00 174.62 173.99 3hii s GLN 558 N 0.62 3.49 -0.06 4.92 -1.52 -1.26 -1.88 119.66 123.98 3hii s GLN 558 Ca -0.12 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 3hii s GLN 558 Cb -0.17 -2.63 0.02 0.00 -0.22 0.00 0.00 33.01 30.02 3hii s GLN 558 CO 0.03 0.11 -0.04 0.71 -0.25 0.00 0.00 175.29 175.85 3hii s TYR 559 N -2.35 0.83 -0.13 0.91 1.51 -1.20 -4.97 117.35 111.95 3hii s TYR 559 Ca 0.41 -0.27 0.15 0.00 -1.01 0.00 0.00 57.07 56.35 3hii s TYR 559 Cb -0.10 -0.78 -0.21 0.00 -0.11 0.00 0.00 41.96 40.76 3hii s TYR 559 CO 0.37 -0.27 0.12 0.43 -1.11 0.00 0.00 175.55 175.09 3hii n SER 560 N 4.45 1.04 -4.11 2.29 7.64 -1.26 -4.51 113.62 119.17 3hii n SER 560 Ca -0.18 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 3hii n SER 560 Cb 0.51 1.08 -0.15 0.00 -1.01 0.00 0.00 64.21 64.63 3hii n SER 560 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3hii s TRP 561 N -2.56 1.25 0.27 1.43 0.52 -1.26 -0.59 118.94 118.00 3hii s TRP 561 Ca -0.08 -0.24 -0.09 0.00 0.02 0.00 0.00 56.10 55.71 3hii s TRP 561 Cb 0.06 -0.80 0.43 0.00 -1.15 0.00 0.00 33.47 32.00 3hii s TRP 561 CO 0.67 -0.02 1.56 0.93 0.02 0.00 0.00 176.95 180.11 3hii h GLU 562 N 5.80 -0.00 -0.53 4.98 5.08 -1.04 -0.30 114.58 128.57 3hii h GLU 562 Ca -0.34 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3hii h GLU 562 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3hii h GLU 562 CO 0.49 -0.00 0.35 -0.09 -1.00 0.00 0.00 179.01 178.76 3hii h ARG 563 N -0.00 0.49 0.00 2.33 9.65 -1.86 -0.18 114.38 124.80 3hii h ARG 563 Ca 0.46 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.27 3hii h ARG 563 Cb 0.70 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 3hii h ARG 563 CO -1.00 0.32 -0.18 1.96 2.80 0.00 0.00 179.97 183.87 3hii h GLN 564 N 0.50 0.00 -0.65 0.20 4.20 -1.46 -2.83 115.11 115.07 3hii h GLN 564 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3hii h GLN 564 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hii h GLN 564 CO -0.06 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 3hii n ALA 565 N -2.45 3.25 -3.36 3.87 0.00 -0.10 -4.79 120.51 116.94 3hii n ALA 565 Ca -0.02 -1.67 -0.45 0.00 0.00 0.00 0.00 53.44 51.30 3hii n ALA 565 Cb 0.25 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 3hii n ALA 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hii s ALA 566 N -2.02 3.69 -0.29 0.00 0.00 -1.07 -2.84 121.76 119.24 3hii s ALA 566 Ca 0.53 -2.70 -0.19 0.00 0.00 0.00 0.00 51.96 49.60 3hii s ALA 566 Cb 0.35 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 3hii s ALA 566 CO 0.24 -2.05 0.59 -0.06 0.00 0.00 0.00 175.76 174.47 3hii s PHE 567 N 1.27 3.24 0.61 0.00 0.40 -0.13 -5.00 117.98 118.36 3hii s PHE 567 Ca 0.06 0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 56.91 3hii s PHE 567 Cb -0.26 -2.88 -0.01 0.00 0.51 0.00 0.00 43.02 40.38 3hii s PHE 567 CO 0.00 -0.40 0.98 1.03 0.70 0.00 0.00 175.22 177.53 3hii s ARG 568 N 2.49 3.22 0.53 0.44 0.52 -1.26 -3.27 118.95 121.62 3hii s ARG 568 Ca 0.24 0.40 0.27 0.00 -0.52 0.00 0.00 55.73 56.12 3hii s ARG 568 Cb -0.15 -2.16 1.49 0.00 0.52 0.00 0.00 34.95 34.65 3hii s ARG 568 CO 0.11 -0.67 2.10 0.74 0.02 0.00 0.00 175.30 177.59 3hii h PHE 569 N -0.29 0.00 -0.36 -0.53 0.04 -1.93 -1.98 116.94 111.89 3hii h PHE 569 Ca -0.45 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.29 3hii h PHE 569 Cb 1.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 3hii h PHE 569 CO 0.56 0.10 0.12 0.87 -0.60 0.00 0.00 178.31 179.36 3hii h LYS 570 N 0.00 0.55 -7.00 1.51 6.56 -1.93 -3.45 116.57 112.81 3hii h LYS 570 Ca -0.00 -0.12 -0.53 0.00 -1.06 0.00 0.00 60.65 58.94 3hii h LYS 570 Cb 0.28 -0.08 0.10 0.00 -0.57 0.00 0.00 32.23 31.96 3hii h LYS 570 CO 0.01 0.57 0.58 0.50 -2.06 0.00 0.00 179.45 179.05 3hii s ARG 571 N -5.43 3.57 -0.03 3.15 3.52 -0.75 -4.97 118.95 118.01 3hii s ARG 571 Ca -0.13 2.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.27 3hii s ARG 571 Cb 0.09 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3hii s ARG 571 CO 0.75 -0.81 1.24 -1.59 -0.81 0.00 0.00 175.30 174.09 3hii s LYS 572 N -2.64 4.35 -0.20 5.12 0.00 -1.26 -4.82 119.74 120.28 3hii s LYS 572 Ca 0.65 1.75 -0.25 0.00 0.00 0.00 0.00 55.97 58.11 3hii s LYS 572 Cb -0.37 -3.54 -0.01 0.00 0.00 0.00 0.00 37.83 33.92 3hii s LYS 572 CO 0.45 -0.45 0.83 -1.17 0.00 0.00 0.00 175.35 175.01 3hii s LEU 573 N 2.12 4.13 0.68 2.77 2.96 -1.26 -5.03 118.68 125.05 3hii s LEU 573 Ca 0.58 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 55.43 3hii s LEU 573 Cb -0.27 -3.21 -0.00 0.00 0.50 0.00 0.00 46.19 43.21 3hii s LEU 573 CO 0.24 -0.45 1.12 -2.65 -1.32 0.00 0.00 176.35 173.28 3hii n PRO 574 N 5.59 0.78 0.15 0.98 -0.02 -1.26 -4.92 135.00 136.30 3hii n PRO 574 Ca 0.05 0.32 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 3hii n PRO 574 Cb 0.48 -2.35 0.19 0.00 -0.02 0.00 0.00 33.50 31.79 3hii n PRO 574 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hii h LYS 575 N 0.12 0.00 -4.86 -0.52 1.79 -1.96 -3.40 116.57 107.73 3hii h LYS 575 Ca -0.49 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.31 3hii h LYS 575 Cb 1.34 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.66 3hii h LYS 575 CO 0.50 0.57 -0.74 0.71 -1.08 0.00 0.00 179.45 179.40 3hii s TYR 576 N -3.48 3.15 -0.39 -1.35 1.51 -1.14 -5.00 117.35 110.65 3hii s TYR 576 Ca -0.00 -1.77 -0.06 0.00 -1.01 0.00 0.00 57.07 54.23 3hii s TYR 576 Cb 0.12 -2.05 0.08 0.00 -0.11 0.00 0.00 41.96 39.99 3hii s TYR 576 CO 0.74 -0.78 0.19 -0.51 -1.11 0.00 0.00 175.55 174.09 3hii s LEU 577 N 1.27 4.91 -0.10 -1.29 1.43 -1.26 -2.12 118.68 121.53 3hii s LEU 577 Ca -0.03 -1.58 0.02 0.00 -1.03 0.00 0.00 54.13 51.51 3hii s LEU 577 Cb -0.18 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3hii s LEU 577 CO -0.04 -0.48 -0.15 -0.76 0.23 0.00 0.00 176.35 175.15 3hii s LEU 578 N 1.32 2.62 -0.25 1.79 1.43 0.48 -0.71 118.68 125.36 3hii s LEU 578 Ca 0.03 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3hii s LEU 578 Cb -0.22 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3hii s LEU 578 CO -0.00 0.22 0.03 -0.36 0.23 0.00 0.00 176.35 176.47 3hii s PHE 579 N 0.01 3.06 0.05 0.29 0.40 -0.40 -1.10 117.98 120.29 3hii s PHE 579 Ca -0.05 -0.78 0.09 0.00 -0.60 0.00 0.00 56.93 55.59 3hii s PHE 579 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 3hii s PHE 579 CO 0.04 -0.49 -0.25 0.95 0.70 0.00 0.00 175.22 176.18 3hii s THR 580 N 1.53 2.31 0.16 0.64 -4.23 -0.36 -1.38 115.64 114.30 3hii s THR 580 Ca 0.05 -1.39 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3hii s THR 580 Cb -0.15 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 3hii s THR 580 CO 0.01 0.33 0.37 -0.55 -0.54 0.00 0.00 174.62 174.24 3hii s SER 581 N -1.39 6.46 0.57 3.99 0.15 0.13 -1.62 113.70 121.99 3hii s SER 581 Ca 0.13 0.53 0.33 0.00 0.70 0.00 0.00 55.95 57.63 3hii s SER 581 Cb -0.10 -2.06 1.71 0.00 -1.71 0.00 0.00 66.02 63.85 3hii s SER 581 CO 0.03 0.03 2.15 -0.65 1.20 0.00 0.00 173.24 176.00 3hii h PRO 582 N 2.62 0.00 -7.00 5.44 0.11 -1.86 -3.33 132.00 127.98 3hii h PRO 582 Ca -0.46 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 3hii h PRO 582 Cb 1.17 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.40 3hii h PRO 582 CO 0.72 0.06 0.68 -0.65 -0.21 0.00 0.00 178.00 178.60 3hii s GLN 583 N -4.12 3.58 0.07 1.05 -0.21 -1.26 -4.88 119.66 113.88 3hii s GLN 583 Ca -0.03 2.38 0.04 0.00 0.02 0.00 0.00 55.36 57.77 3hii s GLN 583 Cb 0.12 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 3hii s GLN 583 CO 0.53 -0.89 -0.00 -1.21 -2.12 0.00 0.00 175.29 171.60 3hii s GLU 584 N -2.54 2.60 1.02 2.91 2.02 -1.26 -1.03 118.70 122.42 3hii s GLU 584 Ca 0.63 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.68 3hii s GLU 584 Cb -0.43 -2.57 0.21 0.00 0.10 0.00 0.00 34.13 31.44 3hii s GLU 584 CO 0.55 0.56 1.20 0.54 0.02 0.00 0.00 175.26 178.13 3hii s ASN 585 N -2.10 2.57 0.17 -0.19 2.20 0.37 -4.84 114.94 113.12 3hii s ASN 585 Ca 0.24 0.60 0.11 0.00 -0.94 0.00 0.00 52.86 52.87 3hii s ASN 585 Cb -0.12 -0.87 0.60 0.00 -2.00 0.00 0.00 41.25 38.87 3hii s ASN 585 CO 0.16 -3.10 1.33 -2.65 -2.94 0.00 0.00 177.10 169.90 3hii n PRO 586 N -4.07 0.07 -0.22 3.55 -0.02 -1.26 -1.92 135.00 131.13 3hii n PRO 586 Ca 0.12 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 3hii n PRO 586 Cb 0.59 -1.75 0.20 0.00 -0.02 0.00 0.00 33.50 32.53 3hii n PRO 586 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hii n TRP 587 N -1.88 0.58 -0.53 6.00 7.02 -1.26 -4.96 117.44 122.41 3hii n TRP 587 Ca -0.01 -0.43 0.00 0.00 -1.02 0.00 0.00 57.50 56.05 3hii n TRP 587 Cb 0.03 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 3hii n TRP 587 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hii n GLY 588 N 0.98 0.74 3.81 6.99 0.00 -0.81 -5.06 105.19 111.84 3hii n GLY 588 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3hii n GLY 588 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hii s HIS 589 N -2.12 3.37 0.29 1.61 3.76 -1.26 -4.85 115.29 116.09 3hii s HIS 589 Ca 0.00 0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 3hii s HIS 589 Cb 0.00 -1.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.79 3hii s HIS 589 CO 0.00 0.59 1.45 0.15 -0.85 0.00 0.00 174.74 176.08 3hii s LYS 590 N -1.55 4.23 -0.05 1.40 1.02 -1.26 -0.48 119.74 123.04 3hii s LYS 590 Ca 0.21 2.38 -0.30 0.00 0.02 0.00 0.00 55.97 58.28 3hii s LYS 590 Cb -0.12 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3hii s LYS 590 CO 0.12 -0.44 1.35 1.03 -0.92 0.00 0.00 175.35 176.49 3hii s ARG 591 N -0.91 4.28 0.19 1.68 0.52 -0.19 -4.67 118.95 119.84 3hii s ARG 591 Ca 0.57 1.85 -0.07 0.00 -0.52 0.00 0.00 55.73 57.57 3hii s ARG 591 Cb -0.43 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 3hii s ARG 591 CO 0.49 -0.59 0.26 -1.54 0.02 0.00 0.00 175.30 173.93 3hii s SER 592 N 1.94 0.08 -0.01 0.23 1.04 -0.83 0.20 113.70 116.34 3hii s SER 592 Ca 0.61 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 56.06 3hii s SER 592 Cb -0.28 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 3hii s SER 592 CO 0.23 -0.91 -0.24 -0.31 0.98 0.00 0.00 173.24 172.99 3hii s TYR 593 N -4.03 2.19 -0.14 5.02 1.51 -0.48 -0.79 117.35 120.63 3hii s TYR 593 Ca 0.24 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 3hii s TYR 593 Cb 0.04 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 3hii s TYR 593 CO 0.05 -0.02 0.09 0.50 -1.11 0.00 0.00 175.55 175.05 3hii s ARG 594 N -0.65 3.60 -0.23 -0.62 3.52 0.13 -1.28 118.95 123.42 3hii s ARG 594 Ca 0.10 -0.27 -0.10 0.00 -0.13 0.00 0.00 55.73 55.33 3hii s ARG 594 Cb -0.09 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 3hii s ARG 594 CO -0.01 0.55 0.15 -1.17 -0.81 0.00 0.00 175.30 174.01 3hii s LEU 595 N -0.40 4.10 -0.19 -0.88 2.96 0.11 -0.99 118.68 123.39 3hii s LEU 595 Ca 0.10 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3hii s LEU 595 Cb -0.12 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.52 3hii s LEU 595 CO 0.02 0.08 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.47 3hii s GLN 596 N 0.97 1.76 -0.16 1.98 0.74 -0.45 -4.15 119.66 120.35 3hii s GLN 596 Ca 0.07 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.61 3hii s GLN 596 Cb -0.13 -2.30 -0.05 0.00 1.10 0.00 0.00 33.01 31.63 3hii s GLN 596 CO 0.04 -0.45 0.26 0.42 -0.55 0.00 0.00 175.29 175.01 3hii s ILE 597 N 1.48 5.32 -0.39 -2.34 1.01 -1.26 -0.03 121.20 124.99 3hii s ILE 597 Ca -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 3hii s ILE 597 Cb -0.16 -3.60 0.08 0.00 0.01 0.00 0.00 42.46 38.79 3hii s ILE 597 CO -0.08 0.40 0.19 -2.28 0.00 0.00 0.00 174.94 173.18 3hii s HIS 598 N 0.40 3.39 0.03 3.97 5.65 0.62 -4.97 115.29 124.37 3hii s HIS 598 Ca 0.15 -1.82 -0.25 0.00 0.25 0.00 0.00 55.06 53.39 3hii s HIS 598 Cb -0.13 -2.85 0.06 0.00 -1.18 0.00 0.00 32.58 28.48 3hii s HIS 598 CO 0.03 -0.87 0.59 0.45 -0.65 0.00 0.00 174.74 174.29 3hii s SER 599 N 1.86 -0.54 -0.02 9.88 0.15 -1.26 -1.37 113.70 122.40 3hii s SER 599 Ca 0.03 0.34 0.06 0.00 0.70 0.00 0.00 55.95 57.08 3hii s SER 599 Cb -0.22 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 64.77 3hii s SER 599 CO -0.00 -0.72 1.13 0.23 1.20 0.00 0.00 173.24 175.08 3hii n MET 600 N 0.47 2.83 -1.00 5.44 2.81 0.24 -4.95 117.12 122.96 3hii n MET 600 Ca -0.18 -1.85 -0.30 0.00 -1.81 0.00 0.00 57.70 53.55 3hii n MET 600 Cb 0.60 -1.18 0.14 0.00 -0.71 0.00 0.00 33.22 32.07 3hii n MET 600 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hii s ALA 601 N -1.23 1.55 0.32 3.04 0.00 -0.70 -4.55 121.76 120.19 3hii s ALA 601 Ca 0.13 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 3hii s ALA 601 Cb 0.08 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3hii s ALA 601 CO 0.06 -2.44 0.61 0.34 0.00 0.00 0.00 175.76 174.34 3hii s ASP 602 N -3.10 0.14 0.10 0.00 -1.08 -1.26 -5.00 116.67 106.47 3hii s ASP 602 Ca 0.64 -1.06 -0.31 0.00 -0.52 0.00 0.00 52.55 51.30 3hii s ASP 602 Cb -0.20 0.71 -0.09 0.00 -1.46 0.00 0.00 42.92 41.88 3hii s ASP 602 CO 0.58 -1.38 1.64 -1.58 0.52 0.00 0.00 175.17 174.95 3hii s GLN 603 N -3.27 4.20 -0.06 4.34 2.00 -1.26 -4.92 119.66 120.68 3hii s GLN 603 Ca 0.20 2.35 -0.06 0.00 -2.00 0.00 0.00 55.36 55.85 3hii s GLN 603 Cb -0.03 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.27 3hii s GLN 603 CO 0.12 -0.71 -0.12 0.28 -0.50 0.00 0.00 175.29 174.36 3hii n VAL 604 N 4.53 0.60 -3.09 1.34 0.31 -1.26 -5.01 118.33 115.75 3hii n VAL 604 Ca 0.15 0.33 -0.30 0.00 -0.01 0.00 0.00 64.34 64.51 3hii n VAL 604 Cb 0.40 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 3hii n VAL 604 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hii s LEU 605 N -6.13 3.96 0.09 7.52 1.43 -1.26 -5.03 118.68 119.25 3hii s LEU 605 Ca -0.10 1.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.71 3hii s LEU 605 Cb 0.01 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 3hii s LEU 605 CO 0.15 -0.28 1.49 -2.84 0.23 0.00 0.00 176.35 175.10 3hii s PRO 606 N -3.52 4.26 0.09 1.29 0.02 -1.26 -4.94 135.00 130.93 3hii s PRO 606 Ca 0.49 2.17 -0.35 0.00 0.02 0.00 0.00 61.00 63.33 3hii s PRO 606 Cb -0.10 -3.38 -0.15 0.00 0.02 0.00 0.00 34.50 30.89 3hii s PRO 606 CO 0.28 -0.57 1.53 -2.30 -0.33 0.00 0.00 177.00 175.61 3hii n PRO 607 N 4.64 1.74 -0.11 5.54 -0.02 -1.26 -1.90 135.00 143.64 3hii n PRO 607 Ca 0.13 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3hii n PRO 607 Cb 0.41 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3hii n PRO 607 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hii n GLY 608 N 3.23 0.79 3.44 -1.23 0.00 -1.26 -5.03 105.19 105.12 3hii n GLY 608 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3hii n GLY 608 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hii s TRP 609 N -2.40 3.13 0.00 1.61 -0.11 -0.80 -4.93 118.94 115.45 3hii s TRP 609 Ca 0.00 -0.63 0.00 0.00 1.22 0.00 0.00 56.10 56.69 3hii s TRP 609 Cb 0.00 -3.30 0.00 0.00 -1.50 0.00 0.00 33.47 28.67 3hii s TRP 609 CO 0.00 -0.89 0.00 1.04 -4.62 0.00 0.00 176.95 172.48 3hii n GLN 610 N 5.76 0.00 0.30 5.86 1.13 -1.26 -1.76 117.38 127.41 3hii n GLN 610 Ca -0.08 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.17 3hii n GLN 610 Cb 0.45 0.00 0.89 0.00 0.11 0.00 0.00 30.24 31.69 3hii n GLN 610 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3hii h GLU 611 N 0.00 0.00 -0.10 -1.09 3.07 -1.93 -2.50 114.58 112.03 3hii h GLU 611 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3hii h GLU 611 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hii h GLU 611 CO 0.00 0.00 0.16 1.49 -1.40 0.00 0.00 179.01 179.26 3hii h GLU 612 N 0.00 0.00 -0.41 2.33 4.22 -1.62 -0.15 114.58 118.95 3hii h GLU 612 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 3hii h GLU 612 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hii h GLU 612 CO 0.00 0.00 0.32 0.37 -2.18 0.00 0.00 179.01 177.52 3hii h GLN 613 N 0.00 0.00 0.00 1.92 5.75 -1.63 -0.31 115.11 120.85 3hii h GLN 613 Ca 0.05 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 3hii h GLN 613 Cb 0.37 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3hii h GLN 613 CO -0.00 0.00 -0.25 0.00 -2.65 0.00 0.00 178.83 175.93 3hii h ALA 614 N 1.74 0.99 -1.03 3.38 0.00 -0.67 -3.36 119.26 120.30 3hii h ALA 614 Ca 0.20 -0.23 -0.43 0.00 0.00 0.00 0.00 54.91 54.45 3hii h ALA 614 Cb 0.84 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.18 3hii h ALA 614 CO -0.00 0.31 -1.01 0.44 0.00 0.00 0.00 179.25 178.99 3hii n ILE 615 N -3.37 1.61 0.26 0.00 -5.35 -0.14 -4.85 119.36 107.52 3hii n ILE 615 Ca 0.00 -3.71 0.14 0.00 -0.27 0.00 0.00 62.75 58.91 3hii n ILE 615 Cb 0.46 0.00 0.69 0.00 -1.74 0.00 0.00 39.64 39.06 3hii n ILE 615 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3hii h THR 616 N 3.21 0.38 -0.15 7.28 1.35 -1.68 -1.01 112.91 122.29 3hii h THR 616 Ca 0.06 -0.64 0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3hii h THR 616 Cb 1.16 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 3hii h THR 616 CO 0.58 0.11 0.10 4.11 -0.25 0.00 0.00 175.52 180.17 3hii h TRP 617 N 0.00 0.12 0.00 4.73 5.08 -1.90 -2.15 115.95 121.82 3hii h TRP 617 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hii h TRP 617 Cb 0.46 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 3hii h TRP 617 CO 0.00 0.07 0.00 0.00 -1.28 0.00 0.00 178.44 177.23 3hii n ALA 618 N -2.54 2.31 0.35 0.11 0.00 -0.38 -1.12 120.51 119.25 3hii n ALA 618 Ca -0.00 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.48 3hii n ALA 618 Cb 0.14 -1.27 0.50 0.00 0.00 0.00 0.00 19.45 18.81 3hii n ALA 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hii h ARG 619 N 0.00 0.00 -3.91 0.00 3.08 -1.54 -3.43 114.38 108.58 3hii h ARG 619 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3hii h ARG 619 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.66 3hii h ARG 619 CO 0.00 0.00 -0.77 0.71 -1.07 0.00 0.00 179.97 178.84 3hii s TYR 620 N -3.40 1.62 0.38 3.04 1.51 -0.27 -3.43 117.35 116.80 3hii s TYR 620 Ca 0.04 -1.23 0.09 0.00 -1.01 0.00 0.00 57.07 54.97 3hii s TYR 620 Cb 0.09 -1.27 0.85 0.00 -0.11 0.00 0.00 41.96 41.53 3hii s TYR 620 CO 0.53 -0.68 1.93 -1.00 -1.11 0.00 0.00 175.55 175.23 3hii h PRO 621 N 8.12 0.61 -3.25 -1.71 0.13 -1.81 -3.24 132.00 130.85 3hii h PRO 621 Ca -0.17 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.69 3hii h PRO 621 Cb 1.10 -0.14 -0.30 0.00 0.13 0.00 0.00 31.00 31.79 3hii h PRO 621 CO 0.37 0.41 -0.57 -1.17 -0.23 0.00 0.00 178.00 176.80 3hii s LEU 622 N -9.62 0.84 0.02 1.56 2.96 -1.26 -1.63 118.68 111.56 3hii s LEU 622 Ca -0.09 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3hii s LEU 622 Cb 0.20 0.44 -0.02 0.00 0.50 0.00 0.00 46.19 47.31 3hii s LEU 622 CO 0.77 -0.13 -0.04 0.00 -1.32 0.00 0.00 176.35 175.63 3hii s ALA 623 N 0.95 0.25 -0.12 5.97 0.00 -0.71 -0.96 121.76 127.14 3hii s ALA 623 Ca -0.07 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3hii s ALA 623 Cb -0.09 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hii s ALA 623 CO -0.05 -0.10 -0.21 0.08 0.00 0.00 0.00 175.76 175.48 3hii s VAL 624 N -1.27 1.93 0.20 0.00 1.01 -1.13 -0.54 120.40 120.60 3hii s VAL 624 Ca -0.12 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.05 3hii s VAL 624 Cb -0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3hii s VAL 624 CO -0.00 0.53 -0.22 0.42 0.00 0.00 0.00 175.10 175.83 3hii s THR 625 N 0.71 2.23 0.13 3.92 -4.23 -0.10 -4.73 115.64 113.58 3hii s THR 625 Ca -0.10 -2.08 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 3hii s THR 625 Cb -0.16 -2.09 -0.07 0.00 1.34 0.00 0.00 72.50 71.53 3hii s THR 625 CO 0.01 -0.23 1.16 -0.75 -0.54 0.00 0.00 174.62 174.27 3hii s LYS 626 N -2.88 4.50 0.19 3.99 2.20 -1.26 0.03 119.74 126.52 3hii s LYS 626 Ca 0.21 1.77 -0.33 0.00 -0.36 0.00 0.00 55.97 57.27 3hii s LYS 626 Cb -0.07 -3.30 -0.14 0.00 -1.51 0.00 0.00 37.83 32.82 3hii s LYS 626 CO 0.10 -0.10 1.44 0.98 -0.36 0.00 0.00 175.35 177.41 3hii n TYR 627 N 3.01 2.07 -3.77 4.03 4.19 0.77 -4.86 117.16 122.60 3hii n TYR 627 Ca 0.06 0.42 -0.13 0.00 3.31 0.00 0.00 57.90 61.55 3hii n TYR 627 Cb 0.46 -2.46 -0.13 0.00 0.49 0.00 0.00 39.34 37.70 3hii n TYR 627 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3hii s ARG 628 N 0.16 0.17 0.59 2.98 0.52 -1.26 -5.00 118.95 117.10 3hii s ARG 628 Ca 0.74 0.35 0.34 0.00 -0.52 0.00 0.00 55.73 56.64 3hii s ARG 628 Cb -0.71 -0.04 1.84 0.00 0.52 0.00 0.00 34.95 36.57 3hii s ARG 628 CO 0.45 -0.10 2.21 0.93 0.02 0.00 0.00 175.30 178.81 3hii h GLU 629 N 6.61 0.00 -0.00 3.54 4.39 -2.02 -1.03 114.58 126.06 3hii h GLU 629 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3hii h GLU 629 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3hii h GLU 629 CO 0.40 0.04 -0.00 -1.13 -1.16 0.00 0.00 179.01 177.16 3hii n SER 630 N -3.49 0.40 -2.59 1.42 3.41 -1.26 -4.03 113.62 107.49 3hii n SER 630 Ca -0.02 -1.13 -0.11 0.00 -0.26 0.00 0.00 58.87 57.35 3hii n SER 630 Cb 0.15 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3hii n SER 630 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hii n GLU 631 N -0.69 2.12 0.21 4.33 1.02 -0.39 -4.87 120.64 122.37 3hii n GLU 631 Ca 0.23 -3.69 0.10 0.00 -0.02 0.00 0.00 57.16 53.77 3hii n GLU 631 Cb 0.18 -1.70 0.29 0.00 -0.02 0.00 0.00 31.44 30.19 3hii n GLU 631 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hii h LEU 632 N 2.66 0.00 -8.12 -4.62 3.38 -1.70 -3.45 115.31 103.46 3hii h LEU 632 Ca 0.03 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 3hii h LEU 632 Cb 1.23 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.72 3hii h LEU 632 CO 0.48 0.20 -0.77 0.00 0.09 0.00 0.00 178.44 178.45 3hii n SER 634 N 2.37 0.64 -0.83 0.00 3.41 -1.26 -4.98 113.62 112.96 3hii n SER 634 Ca -0.16 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 3hii n SER 634 Cb 0.56 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 3hii n SER 634 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hii n SER 635 N -1.71 0.05 -3.65 4.04 2.88 -1.26 -4.59 113.62 109.38 3hii n SER 635 Ca 0.04 -0.82 -0.07 0.00 -1.33 0.00 0.00 58.87 56.70 3hii n SER 635 Cb 0.38 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 3hii n SER 635 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hii s SER 636 N -0.63 -0.30 0.11 -3.46 1.04 -1.26 -4.93 113.70 104.26 3hii s SER 636 Ca 0.00 -0.26 0.11 0.00 0.48 0.00 0.00 55.95 56.29 3hii s SER 636 Cb 0.00 0.51 0.53 0.00 0.10 0.00 0.00 66.02 67.17 3hii s SER 636 CO 0.00 -0.90 1.35 2.30 0.98 0.00 0.00 173.24 176.97 3hii n ILE 637 N -0.39 1.41 0.08 -1.02 -5.35 -1.26 -2.60 119.36 110.23 3hii n ILE 637 Ca -0.08 0.47 0.08 0.00 -0.27 0.00 0.00 62.75 62.95 3hii n ILE 637 Cb 0.61 -1.41 -0.03 0.00 -1.74 0.00 0.00 39.64 37.07 3hii n ILE 637 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hii n TYR 638 N -1.77 0.92 -0.28 4.28 4.02 -1.26 -4.24 117.16 118.83 3hii n TYR 638 Ca 0.01 0.28 0.06 0.00 -0.01 0.00 0.00 57.90 58.24 3hii n TYR 638 Cb 0.07 -0.97 0.29 0.00 -0.02 0.00 0.00 39.34 38.71 3hii n TYR 638 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hii h HIS 639 N 0.00 0.95 -0.65 -0.72 3.86 -1.77 -2.17 115.15 114.66 3hii h HIS 639 Ca -0.05 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.25 3hii h HIS 639 Cb 1.17 -0.31 -0.06 0.00 1.06 0.00 0.00 27.41 29.28 3hii h HIS 639 CO 0.00 0.46 0.34 0.37 0.86 0.00 0.00 177.93 179.96 3hii h GLN 640 N 0.90 0.60 -0.01 2.45 5.75 -1.80 -2.13 115.11 120.88 3hii h GLN 640 Ca 0.39 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3hii h GLN 640 Cb 0.34 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.75 3hii h GLN 640 CO -0.16 0.40 -0.64 0.09 -2.65 0.00 0.00 178.83 175.87 3hii n ASN 641 N -4.83 1.58 -3.28 -0.69 3.02 -1.04 -4.21 115.26 105.81 3hii n ASN 641 Ca 0.08 -1.29 -0.25 0.00 -0.03 0.00 0.00 54.58 53.09 3hii n ASN 641 Cb 0.19 0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 3hii n ASN 641 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hii n ASP 642 N -0.58 0.32 0.09 6.41 -0.08 -0.84 -4.42 116.55 117.45 3hii n ASP 642 Ca 0.07 -2.67 0.12 0.00 -1.51 0.00 0.00 54.79 50.80 3hii n ASP 642 Cb 0.40 -0.62 0.45 0.00 2.34 0.00 0.00 41.12 43.69 3hii n ASP 642 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hii n PRO 643 N 1.78 0.17 0.09 -0.67 -0.04 -0.81 -2.88 135.00 132.64 3hii n PRO 643 Ca 0.24 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.84 3hii n PRO 643 Cb 0.50 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 3hii n PRO 643 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hii h TRP 644 N 0.00 0.42 -2.00 0.54 6.55 -1.85 -2.71 115.95 116.89 3hii h TRP 644 Ca 0.00 -0.29 -0.50 0.00 0.95 0.00 0.00 58.89 59.05 3hii h TRP 644 Cb 0.49 -0.02 -0.40 0.00 -0.86 0.00 0.00 29.16 28.37 3hii h TRP 644 CO 0.00 1.20 -1.18 -3.47 -1.05 0.00 0.00 178.44 173.94 3hii n ASP 645 N -3.54 0.68 -4.84 -3.49 2.03 -1.20 -4.91 116.55 101.28 3hii n ASP 645 Ca -0.07 -2.94 -0.31 0.00 0.52 0.00 0.00 54.79 52.00 3hii n ASP 645 Cb 0.97 -0.62 0.05 0.00 -0.72 0.00 0.00 41.12 40.80 3hii n ASP 645 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hii s PRO 646 N -2.14 2.87 0.07 -0.67 0.04 -1.14 -4.96 135.00 129.06 3hii s PRO 646 Ca 0.39 0.77 0.23 0.00 0.04 0.00 0.00 61.00 62.43 3hii s PRO 646 Cb 0.31 -2.00 0.95 0.00 0.04 0.00 0.00 34.50 33.80 3hii s PRO 646 CO -0.09 -1.10 1.74 -0.35 0.04 0.00 0.00 177.00 177.24 3hii n PRO 647 N -3.10 0.07 -3.78 0.56 -0.04 -1.26 -4.59 135.00 122.85 3hii n PRO 647 Ca 0.07 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.48 3hii n PRO 647 Cb 0.55 -1.60 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 3hii n PRO 647 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hii s VAL 648 N -3.06 0.27 -0.30 0.52 1.01 -1.26 -5.11 120.40 112.48 3hii s VAL 648 Ca 0.10 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3hii s VAL 648 Cb 0.14 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 36.15 3hii s VAL 648 CO 0.44 0.23 -0.02 -0.69 0.00 0.00 0.00 175.10 175.07 3hii s VAL 649 N 1.87 2.62 0.26 2.92 1.01 -1.26 -4.85 120.40 122.96 3hii s VAL 649 Ca 0.03 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 3hii s VAL 649 Cb -0.12 -2.59 0.24 0.00 0.00 0.00 0.00 36.38 33.90 3hii s VAL 649 CO -0.04 -0.18 1.81 0.15 0.00 0.00 0.00 175.10 176.84 3hii h PHE 650 N 7.87 0.92 -1.02 5.22 3.57 -1.86 -0.87 116.94 130.77 3hii h PHE 650 Ca -0.18 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.61 3hii h PHE 650 Cb 1.05 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 3hii h PHE 650 CO 0.60 0.36 0.66 1.49 -2.23 0.00 0.00 178.31 179.19 3hii h GLU 651 N 0.83 0.41 0.00 1.11 4.57 -1.95 -0.30 114.58 119.24 3hii h GLU 651 Ca 0.43 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 3hii h GLU 651 Cb 0.43 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3hii h GLU 651 CO -0.26 0.27 -0.14 1.96 -1.18 0.00 0.00 179.01 179.66 3hii h GLN 652 N 0.42 0.00 -0.39 1.92 4.20 -1.59 -1.23 115.11 118.44 3hii h GLN 652 Ca 0.58 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.35 3hii h GLN 652 Cb 1.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 3hii h GLN 652 CO -0.29 0.14 0.27 0.74 -0.67 0.00 0.00 178.83 179.01 3hii h PHE 653 N 0.00 0.25 -0.00 2.96 -1.00 -1.14 -2.33 116.94 115.68 3hii h PHE 653 Ca -0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3hii h PHE 653 Cb 0.39 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3hii h PHE 653 CO 0.00 0.14 -0.36 1.28 -1.61 0.00 0.00 178.31 177.76 3hii n LEU 654 N -4.47 0.62 -0.24 1.54 4.77 -0.47 -4.47 117.00 114.27 3hii n LEU 654 Ca 0.05 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 3hii n LEU 654 Cb 0.28 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3hii n LEU 654 CO 0.35 0.13 1.10 -0.74 -1.33 0.00 0.00 177.39 176.90 3hii h HIS 655 N 0.41 0.92 0.00 -1.77 2.76 -1.39 -1.49 115.15 114.58 3hii h HIS 655 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3hii h HIS 655 Cb 0.49 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3hii h HIS 655 CO 0.00 0.65 0.00 0.27 -1.30 0.00 0.00 177.93 177.55 3hii n ASN 656 N -4.52 0.00 -3.99 3.26 0.23 -1.26 -4.93 115.26 104.05 3hii n ASN 656 Ca 0.05 0.21 -0.40 0.00 -0.53 0.00 0.00 54.58 53.92 3hii n ASN 656 Cb 0.08 -0.38 0.01 0.00 -2.08 0.00 0.00 39.78 37.41 3hii n ASN 656 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hii n ASN 657 N -1.38 -4.24 -4.86 0.53 5.15 -0.56 -4.89 115.26 105.00 3hii n ASN 657 Ca 0.08 -1.19 -0.31 0.00 -0.60 0.00 0.00 54.58 52.56 3hii n ASN 657 Cb 0.20 -1.55 0.02 0.00 -0.53 0.00 0.00 39.78 37.92 3hii n ASN 657 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hii s GLU 658 N -6.62 3.47 0.16 1.20 2.02 -1.26 -4.49 118.70 113.17 3hii s GLU 658 Ca 0.33 0.76 -0.31 0.00 0.02 0.00 0.00 54.97 55.77 3hii s GLU 658 Cb -0.18 -2.06 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 3hii s GLU 658 CO 0.94 -0.67 1.41 1.21 0.02 0.00 0.00 175.26 178.17 3hii s ASN 659 N -4.13 6.77 -0.15 -0.19 3.84 -1.26 -0.53 114.94 119.29 3hii s ASN 659 Ca 0.56 2.44 0.17 0.00 0.21 0.00 0.00 52.86 56.23 3hii s ASN 659 Cb -0.11 -2.60 0.32 0.00 -0.55 0.00 0.00 41.25 38.30 3hii s ASN 659 CO 0.54 -0.67 1.16 2.30 -2.79 0.00 0.00 177.10 177.65 3hii n ILE 660 N 3.49 1.93 -2.92 -5.21 -5.35 0.24 -4.89 119.36 106.65 3hii n ILE 660 Ca 0.10 -2.45 -0.42 0.00 -0.27 0.00 0.00 62.75 59.71 3hii n ILE 660 Cb 0.41 -0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.04 3hii n ILE 660 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3hii s GLU 661 N -2.91 4.08 -1.09 6.28 2.02 -1.25 -4.28 118.70 121.54 3hii s GLU 661 Ca 0.33 0.77 -0.09 0.00 0.02 0.00 0.00 54.97 56.00 3hii s GLU 661 Cb 0.30 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 3hii s GLU 661 CO 0.01 -0.60 0.89 -1.71 0.02 0.00 0.00 175.26 173.87 3hii n ASN 662 N 6.11 -5.81 -4.18 -0.19 5.15 -0.88 -5.00 115.26 110.46 3hii n ASN 662 Ca 0.05 -0.77 -0.18 0.00 -0.60 0.00 0.00 54.58 53.07 3hii n ASN 662 Cb 0.48 -4.77 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 3hii n ASN 662 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hii s GLU 663 N -4.87 1.51 -0.51 1.20 0.41 -0.45 -4.74 118.70 111.25 3hii s GLU 663 Ca 0.41 -1.84 -0.28 0.00 -0.41 0.00 0.00 54.97 52.85 3hii s GLU 663 Cb -0.08 -0.22 0.02 0.00 -1.78 0.00 0.00 34.13 32.07 3hii s GLU 663 CO 0.77 -0.36 1.36 0.34 -0.49 0.00 0.00 175.26 176.87 3hii s ASP 664 N -3.35 6.28 0.13 -0.19 -1.08 -1.25 -0.02 116.67 117.19 3hii s ASP 664 Ca 0.36 0.45 0.01 0.00 -0.52 0.00 0.00 52.55 52.85 3hii s ASP 664 Cb 0.06 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 3hii s ASP 664 CO 0.15 -1.55 0.28 -0.76 0.52 0.00 0.00 175.17 173.81 3hii s LEU 665 N 5.58 4.33 -0.10 -1.34 1.43 -1.26 -0.17 118.68 127.15 3hii s LEU 665 Ca 0.53 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 3hii s LEU 665 Cb -0.11 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3hii s LEU 665 CO 0.28 0.07 -0.06 -0.69 0.23 0.00 0.00 176.35 176.18 3hii s VAL 666 N -1.70 0.87 0.09 -1.59 1.01 0.10 -4.10 120.40 115.09 3hii s VAL 666 Ca 0.35 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 3hii s VAL 666 Cb -0.12 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 3hii s VAL 666 CO 0.28 0.34 0.71 0.00 0.00 0.00 0.00 175.10 176.43 3hii s ALA 667 N 1.73 3.46 -0.13 5.51 0.00 -0.08 -0.92 121.76 131.33 3hii s ALA 667 Ca 0.04 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3hii s ALA 667 Cb -0.13 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3hii s ALA 667 CO -0.07 0.24 -0.21 -1.58 0.00 0.00 0.00 175.76 174.14 3hii s TRP 668 N -0.72 2.53 -0.13 0.00 0.52 0.30 0.27 118.94 121.71 3hii s TRP 668 Ca 0.34 -1.25 0.02 0.00 0.02 0.00 0.00 56.10 55.24 3hii s TRP 668 Cb -0.21 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 3hii s TRP 668 CO 0.23 -0.58 -0.20 0.08 0.02 0.00 0.00 176.95 176.50 3hii s VAL 669 N 0.82 1.91 -0.22 4.03 1.01 -0.45 -1.73 120.40 125.76 3hii s VAL 669 Ca -0.08 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3hii s VAL 669 Cb -0.16 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3hii s VAL 669 CO -0.01 0.52 0.14 -0.89 0.00 0.00 0.00 175.10 174.86 3hii s THR 670 N 0.86 5.32 0.10 3.92 2.01 -0.65 -0.87 115.64 126.34 3hii s THR 670 Ca -0.07 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.14 3hii s THR 670 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3hii s THR 670 CO -0.02 0.39 -0.12 0.68 -0.69 0.00 0.00 174.62 174.86 3hii s VAL 671 N 0.78 1.12 -1.37 3.82 -7.23 -0.31 -4.62 120.40 112.59 3hii s VAL 671 Ca 0.07 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3hii s VAL 671 Cb -0.13 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3hii s VAL 671 CO 0.02 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 3hii n GLY 672 N 0.66 -1.46 3.58 2.32 0.00 -1.26 0.09 105.19 109.11 3hii n GLY 672 Ca -0.17 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 3hii n GLY 672 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hii s PHE 673 N -2.42 -0.64 0.22 1.61 -0.12 -0.36 -0.59 117.98 115.67 3hii s PHE 673 Ca 0.00 1.35 -0.30 0.00 -0.05 0.00 0.00 56.93 57.93 3hii s PHE 673 Cb 0.00 0.36 -0.09 0.00 -0.63 0.00 0.00 43.02 42.66 3hii s PHE 673 CO 0.00 -0.44 1.33 -1.17 -0.05 0.00 0.00 175.22 174.88 3hii s LEU 674 N -0.44 4.41 -0.28 -1.99 2.96 -1.26 -1.36 118.68 120.73 3hii s LEU 674 Ca -0.04 2.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.35 3hii s LEU 674 Cb -0.02 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.13 3hii s LEU 674 CO 0.04 -0.55 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.23 3hii s HIS 675 N -0.03 2.81 -0.41 5.38 5.65 0.53 -4.95 115.29 124.28 3hii s HIS 675 Ca 0.56 -2.19 -0.18 0.00 0.25 0.00 0.00 55.06 53.50 3hii s HIS 675 Cb -0.38 -2.03 0.01 0.00 -1.18 0.00 0.00 32.58 29.01 3hii s HIS 675 CO 0.40 -0.86 0.50 0.42 -0.65 0.00 0.00 174.74 174.55 3hii s ILE 676 N 1.25 5.02 0.71 0.89 1.01 -1.26 -2.34 121.20 126.47 3hii s ILE 676 Ca 0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 3hii s ILE 676 Cb -0.19 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.26 3hii s ILE 676 CO -0.09 -0.40 1.20 -2.84 0.00 0.00 0.00 174.94 172.81 3hii s PRO 677 N 2.34 2.29 0.14 2.79 0.02 -1.26 -5.04 135.00 136.29 3hii s PRO 677 Ca 0.16 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 62.91 3hii s PRO 677 Cb -0.16 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3hii s PRO 677 CO 0.15 -1.72 0.07 -3.38 -0.33 0.00 0.00 177.00 171.79 3hii s HIS 678 N -1.96 0.92 0.51 6.54 -3.43 -1.26 -4.51 115.29 112.11 3hii s HIS 678 Ca 0.74 -1.26 0.20 0.00 -0.80 0.00 0.00 55.06 53.95 3hii s HIS 678 Cb -0.29 -0.50 1.36 0.00 -1.43 0.00 0.00 32.58 31.72 3hii s HIS 678 CO 0.44 -0.53 2.13 0.66 -2.00 0.00 0.00 174.74 175.44 3hii h SER 679 N 2.82 0.00 0.43 7.38 4.64 -1.90 -0.11 113.55 126.81 3hii h SER 679 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3hii h SER 679 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3hii h SER 679 CO 0.58 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 3hii n GLU 680 N -4.24 0.08 0.00 4.77 4.71 -1.26 -1.77 120.64 122.93 3hii n GLU 680 Ca -0.03 0.40 0.10 0.00 -0.01 0.00 0.00 57.16 57.62 3hii n GLU 680 Cb 0.14 -1.68 0.53 0.00 -1.01 0.00 0.00 31.44 29.41 3hii n GLU 680 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hii n ASP 681 N -1.85 0.00 -4.69 1.62 8.00 -0.05 -4.74 116.55 114.84 3hii n ASP 681 Ca 0.02 -0.26 -0.37 0.00 0.71 0.00 0.00 54.79 54.89 3hii n ASP 681 Cb 0.15 -0.16 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 3hii n ASP 681 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hii s ILE 682 N -2.32 5.32 -0.15 0.53 -1.09 -0.73 -1.34 121.20 121.42 3hii s ILE 682 Ca 0.23 0.39 0.19 0.00 -2.23 0.00 0.00 60.65 59.23 3hii s ILE 682 Cb 0.13 -3.58 0.17 0.00 -1.58 0.00 0.00 42.46 37.60 3hii s ILE 682 CO 0.26 0.35 1.58 1.55 -1.23 0.00 0.00 174.94 177.45 3hii h PRO 683 N 7.15 0.00 -5.06 2.79 0.13 -1.84 -3.49 132.00 131.69 3hii h PRO 683 Ca -0.39 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 3hii h PRO 683 Cb 1.16 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 3hii h PRO 683 CO 0.71 0.32 -0.77 -0.80 -0.23 0.00 0.00 178.00 177.23 3hii s ASN 684 N -6.33 1.38 0.34 1.44 0.02 -0.45 -4.60 114.94 106.74 3hii s ASN 684 Ca 0.04 -0.47 -0.29 0.00 -1.02 0.00 0.00 52.86 51.12 3hii s ASN 684 Cb 0.08 -0.06 -0.11 0.00 0.02 0.00 0.00 41.25 41.18 3hii s ASN 684 CO 0.70 -0.04 1.40 0.42 0.02 0.00 0.00 177.10 179.60 3hii s THR 685 N -0.98 2.43 0.24 1.60 -4.23 -0.40 -4.44 115.64 109.85 3hii s THR 685 Ca -0.02 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 3hii s THR 685 Cb -0.08 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 3hii s THR 685 CO 0.01 0.09 0.31 0.00 -0.54 0.00 0.00 174.62 174.50 3hii s ALA 686 N -0.96 3.84 -0.05 3.99 0.00 -1.26 -3.49 121.76 123.82 3hii s ALA 686 Ca 0.52 -1.27 0.14 0.00 0.00 0.00 0.00 51.96 51.35 3hii s ALA 686 Cb -0.43 -1.61 0.14 0.00 0.00 0.00 0.00 23.12 21.21 3hii s ALA 686 CO 0.56 0.26 1.47 1.79 0.00 0.00 0.00 175.76 179.84 3hii h THR 687 N 1.29 1.00 -2.53 0.00 1.35 -1.91 -3.41 112.91 108.70 3hii h THR 687 Ca -0.51 -2.28 -0.52 0.00 -0.55 0.00 0.00 66.41 62.55 3hii h THR 687 Cb 1.23 2.40 0.04 0.00 -1.73 0.00 0.00 68.15 70.09 3hii h THR 687 CO 0.61 0.55 1.12 -2.84 -0.25 0.00 0.00 175.52 174.71 3hii s PRO 688 N -3.04 4.13 0.00 4.72 0.02 -1.26 -0.76 135.00 138.81 3hii s PRO 688 Ca 0.03 2.62 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3hii s PRO 688 Cb 0.09 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3hii s PRO 688 CO 0.75 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 3hii n GLY 689 N 4.24 0.35 2.73 0.52 0.00 -1.26 -4.90 105.19 106.88 3hii n GLY 689 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hii n GLY 689 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hii n ASN 690 N -0.23 5.94 -3.96 1.61 3.02 0.06 -4.98 115.26 116.72 3hii n ASN 690 Ca 0.00 -3.74 -0.09 0.00 -0.03 0.00 0.00 54.58 50.72 3hii n ASN 690 Cb 0.12 -0.78 -0.11 0.00 -0.61 0.00 0.00 39.78 38.39 3hii n ASN 690 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hii s SER 691 N -2.44 0.19 0.19 6.41 1.04 -1.26 -2.16 113.70 115.68 3hii s SER 691 Ca 0.48 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3hii s SER 691 Cb 0.34 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3hii s SER 691 CO -0.23 -0.31 0.07 0.68 0.98 0.00 0.00 173.24 174.44 3hii s VAL 692 N -1.41 0.34 -3.39 5.02 -7.23 -0.84 -4.93 120.40 107.96 3hii s VAL 692 Ca -0.15 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3hii s VAL 692 Cb -0.09 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3hii s VAL 692 CO -0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3hii n GLY 693 N -0.27 -0.57 3.39 2.32 0.00 -0.47 -0.88 105.19 108.70 3hii n GLY 693 Ca -0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 3hii n GLY 693 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hii s PHE 694 N -3.74 -0.31 0.13 1.61 -0.12 -0.94 -0.28 117.98 114.34 3hii s PHE 694 Ca 0.00 0.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.98 3hii s PHE 694 Cb 0.00 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3hii s PHE 694 CO 0.00 -0.79 -0.11 -0.51 -0.05 0.00 0.00 175.22 173.76 3hii s LEU 695 N -2.80 2.95 -0.21 -1.99 1.02 0.95 -0.88 118.68 117.73 3hii s LEU 695 Ca 0.03 -0.49 0.02 0.00 0.02 0.00 0.00 54.13 53.71 3hii s LEU 695 Cb 0.00 -1.72 0.03 0.00 0.02 0.00 0.00 46.19 44.53 3hii s LEU 695 CO -0.11 0.15 -0.17 -0.76 0.02 0.00 0.00 176.35 175.49 3hii s LEU 696 N -2.41 2.57 -0.06 1.79 1.43 0.63 -1.34 118.68 121.28 3hii s LEU 696 Ca 0.22 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 3hii s LEU 696 Cb -0.10 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 3hii s LEU 696 CO 0.14 -0.07 -0.23 -0.13 0.23 0.00 0.00 176.35 176.29 3hii s ARG 697 N 1.23 2.62 0.20 1.70 0.52 -0.17 -1.83 118.95 123.23 3hii s ARG 697 Ca 0.00 -0.86 -0.32 0.00 -0.52 0.00 0.00 55.73 54.03 3hii s ARG 697 Cb -0.15 -2.23 -0.12 0.00 0.52 0.00 0.00 34.95 32.97 3hii s ARG 697 CO -0.10 0.39 1.74 -2.30 0.02 0.00 0.00 175.30 175.05 3hii n PRO 698 N 2.93 2.78 -3.73 3.54 -0.02 -1.26 0.19 135.00 139.44 3hii n PRO 698 Ca -0.17 1.00 -0.30 0.00 -2.02 0.00 0.00 63.50 62.01 3hii n PRO 698 Cb 0.52 -2.86 -0.14 0.00 -0.02 0.00 0.00 33.50 31.00 3hii n PRO 698 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hii s PHE 699 N 1.35 1.79 -1.60 6.00 5.36 0.03 -4.77 117.98 126.14 3hii s PHE 699 Ca 0.76 -1.92 0.00 0.00 -0.96 0.00 0.00 56.93 54.81 3hii s PHE 699 Cb -0.50 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 3hii s PHE 699 CO 0.33 -0.86 0.00 0.09 -1.46 0.00 0.00 175.22 173.32 3hii n ASN 700 N 4.52 -4.90 0.05 6.13 3.02 -1.26 -1.97 115.26 120.86 3hii n ASN 700 Ca 0.01 0.26 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 3hii n ASN 700 Cb 0.40 -3.89 -0.15 0.00 -0.61 0.00 0.00 39.78 35.54 3hii n ASN 700 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hii h PHE 701 N 0.00 0.60 -3.01 3.10 3.04 -1.84 -3.34 116.94 115.50 3hii h PHE 701 Ca -0.35 -0.44 -0.62 0.00 3.98 0.00 0.00 57.97 60.54 3hii h PHE 701 Cb 1.13 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.54 3hii h PHE 701 CO 0.45 1.48 -0.57 -0.06 -2.02 0.00 0.00 178.31 177.59 3hii s PHE 702 N -2.49 3.25 0.42 0.41 0.08 -1.26 -4.90 117.98 113.49 3hii s PHE 702 Ca -0.15 0.09 0.09 0.00 0.12 0.00 0.00 56.93 57.08 3hii s PHE 702 Cb 0.03 -1.62 0.92 0.00 -0.57 0.00 0.00 43.02 41.78 3hii s PHE 702 CO 0.83 0.53 2.03 -1.35 -0.10 0.00 0.00 175.22 177.17 3hii h PRO 703 N 3.02 0.35 0.00 0.24 0.11 -2.00 -3.46 132.00 130.26 3hii h PRO 703 Ca -0.47 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3hii h PRO 703 Cb 1.17 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3hii h PRO 703 CO 0.67 0.30 0.02 -0.85 -0.21 0.00 0.00 178.00 177.92 3hii n GLU 704 N -4.43 0.62 -1.47 1.05 0.28 -1.26 -4.97 120.64 110.45 3hii n GLU 704 Ca 0.01 -1.82 -0.54 0.00 -0.16 0.00 0.00 57.16 54.65 3hii n GLU 704 Cb 0.12 1.93 -0.08 0.00 1.43 0.00 0.00 31.44 34.85 3hii n GLU 704 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3hii n ASP 705 N -1.61 1.94 0.15 -1.84 2.03 -1.26 -4.84 116.55 111.13 3hii n ASP 705 Ca -0.02 0.63 0.12 0.00 0.52 0.00 0.00 54.79 56.04 3hii n ASP 705 Cb 0.42 -1.16 0.54 0.00 -0.72 0.00 0.00 41.12 40.20 3hii n ASP 705 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hii h PRO 706 N 10.44 0.00 0.00 -0.67 0.13 -1.92 -2.09 132.00 137.89 3hii h PRO 706 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3hii h PRO 706 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3hii h PRO 706 CO 1.02 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.66 3hii n SER 707 N -2.30 0.00 0.25 1.44 3.41 -1.26 -3.65 113.62 111.51 3hii n SER 707 Ca 0.01 -0.58 0.17 0.00 -0.26 0.00 0.00 58.87 58.20 3hii n SER 707 Cb 0.17 -0.08 0.76 0.00 -0.26 0.00 0.00 64.21 64.81 3hii n SER 707 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hii h LEU 708 N 0.00 0.00 -1.48 1.04 3.38 -1.73 -1.77 115.31 114.74 3hii h LEU 708 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hii h LEU 708 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hii h LEU 708 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3hii h ALA 709 N 2.06 1.00 -2.70 1.53 0.00 -1.83 -3.45 119.26 115.87 3hii h ALA 709 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3hii h ALA 709 Cb 0.29 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.14 3hii h ALA 709 CO 0.00 0.00 0.84 0.45 0.00 0.00 0.00 179.25 180.54 3hii s SER 710 N -5.68 6.56 0.00 0.00 0.15 -0.67 -4.90 113.70 109.16 3hii s SER 710 Ca 0.01 2.72 0.17 0.00 0.70 0.00 0.00 55.95 59.55 3hii s SER 710 Cb 0.09 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.30 3hii s SER 710 CO 0.54 -0.81 1.41 0.54 1.20 0.00 0.00 173.24 176.12 3hii n ARG 711 N 3.00 2.00 0.15 5.44 5.12 -1.26 -3.96 116.66 127.15 3hii n ARG 711 Ca 0.10 -1.54 0.12 0.00 -1.93 0.00 0.00 57.85 54.61 3hii n ARG 711 Cb 0.39 -1.38 0.26 0.00 -1.16 0.00 0.00 32.46 30.57 3hii n ARG 711 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3hii h ASP 712 N 2.72 0.00 -3.11 0.55 3.32 -1.91 -3.23 116.42 114.76 3hii h ASP 712 Ca 0.00 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 3hii h ASP 712 Cb 0.61 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.27 3hii h ASP 712 CO 0.00 0.01 0.47 0.41 -1.72 0.00 0.00 179.24 178.41 3hii n THR 713 N -2.66 1.85 -5.05 0.35 -1.04 -1.25 -4.72 114.28 101.76 3hii n THR 713 Ca 0.04 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 61.30 3hii n THR 713 Cb 0.48 -1.48 -0.17 0.00 -1.82 0.00 0.00 70.33 67.35 3hii n THR 713 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hii s VAL 714 N -0.94 1.77 -0.10 12.58 1.01 -0.25 -4.34 120.40 130.13 3hii s VAL 714 Ca 0.58 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3hii s VAL 714 Cb -0.60 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3hii s VAL 714 CO 0.60 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 175.38 3hii s ILE 715 N 0.18 1.70 -0.23 2.22 1.01 -0.96 -1.17 121.20 123.95 3hii s ILE 715 Ca -0.11 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 3hii s ILE 715 Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3hii s ILE 715 CO 0.05 0.48 0.07 -0.69 0.00 0.00 0.00 174.94 174.85 3hii s VAL 716 N 0.70 4.46 0.02 2.92 1.01 0.84 -0.21 120.40 130.15 3hii s VAL 716 Ca -0.12 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3hii s VAL 716 Cb -0.16 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3hii s VAL 716 CO 0.03 0.36 -0.13 0.26 0.00 0.00 0.00 175.10 175.62 3hii s TRP 717 N 1.31 2.71 0.58 5.22 0.52 0.04 -1.56 118.94 127.76 3hii s TRP 717 Ca 0.05 -0.16 -0.16 0.00 0.02 0.00 0.00 56.10 55.86 3hii s TRP 717 Cb -0.15 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 3hii s TRP 717 CO 0.04 0.30 1.04 -1.25 0.02 0.00 0.00 176.95 177.10 3hii s PRO 718 N -1.40 3.44 -0.03 4.98 0.04 -1.26 -0.80 135.00 139.96 3hii s PRO 718 Ca 0.16 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3hii s PRO 718 Cb -0.11 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3hii s PRO 718 CO 0.06 -0.71 -0.07 1.03 0.04 0.00 0.00 177.00 177.35 3hii s ARG 719 N -4.14 0.89 0.00 4.56 1.81 -1.26 -4.75 118.95 116.06 3hii s ARG 719 Ca 0.62 -0.23 -0.31 0.00 -1.72 0.00 0.00 55.73 54.10 3hii s ARG 719 Cb -0.15 -0.84 -0.10 0.00 -0.45 0.00 0.00 34.95 33.41 3hii s ARG 719 CO 0.37 0.04 1.96 -0.25 -0.68 0.00 0.00 175.30 176.74 3hii n ASP 720 N 3.54 3.98 -1.95 0.23 8.00 -1.26 -2.87 116.55 126.23 3hii n ASP 720 Ca -0.21 0.91 -0.19 0.00 0.71 0.00 0.00 54.79 56.01 3hii n ASP 720 Cb 0.53 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.11 3hii n ASP 720 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hii n ASN 721 N 7.41 -5.41 -3.18 -2.24 0.23 -1.26 -4.95 115.26 105.86 3hii n ASN 721 Ca 0.21 0.13 -0.12 0.00 -0.53 0.00 0.00 54.58 54.27 3hii n ASN 721 Cb 0.38 -4.50 -0.01 0.00 -2.08 0.00 0.00 39.78 33.57 3hii n ASN 721 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3hii s GLY 722 N -2.34 0.92 0.84 4.83 0.00 -1.14 -5.17 107.32 105.26 3hii s GLY 722 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 3hii s GLY 722 CO 0.00 -0.67 1.09 -4.14 0.00 0.00 0.00 173.10 169.39 3hii s PRO 723 N -2.83 1.70 0.59 2.90 0.02 -1.26 -4.47 135.00 131.65 3hii s PRO 723 Ca 0.23 1.04 -0.18 0.00 0.02 0.00 0.00 61.00 62.10 3hii s PRO 723 Cb -0.03 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3hii s PRO 723 CO 0.16 -1.99 1.17 -0.80 -0.33 0.00 0.00 177.00 175.20 3hii s ASN 724 N -3.35 5.32 -0.32 2.53 0.02 -1.26 -4.34 114.94 113.53 3hii s ASN 724 Ca 0.63 2.28 -0.22 0.00 -1.02 0.00 0.00 52.86 54.53 3hii s ASN 724 Cb -0.18 -2.59 -0.00 0.00 0.02 0.00 0.00 41.25 38.50 3hii s ASN 724 CO 0.57 -1.50 0.70 -0.47 0.02 0.00 0.00 177.10 176.42 3hii s TYR 725 N -1.74 3.18 -0.61 2.20 5.04 0.02 -4.93 117.35 120.51 3hii s TYR 725 Ca 0.75 0.60 -0.18 0.00 -2.44 0.00 0.00 57.07 55.80 3hii s TYR 725 Cb -0.27 -3.15 0.12 0.00 0.35 0.00 0.00 41.96 39.01 3hii s TYR 725 CO 0.32 -0.57 0.68 0.08 -1.34 0.00 0.00 175.55 174.73 3hii s VAL 726 N 2.80 4.95 -0.11 3.14 1.01 -1.26 -0.78 120.40 130.16 3hii s VAL 726 Ca 0.28 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 3hii s VAL 726 Cb -0.14 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 3hii s VAL 726 CO 0.13 -1.08 0.86 -1.58 0.00 0.00 0.00 175.10 173.43 3hii s GLN 727 N 2.28 4.39 0.16 2.72 0.74 0.70 -4.97 119.66 125.68 3hii s GLN 727 Ca 0.11 1.13 0.04 0.00 0.05 0.00 0.00 55.36 56.69 3hii s GLN 727 Cb -0.24 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.31 3hii s GLN 727 CO 0.04 -0.20 -0.08 1.03 -0.55 0.00 0.00 175.29 175.53 3hii s ARG 728 N 1.65 1.08 0.00 1.67 0.52 -1.26 -2.26 118.95 120.36 3hii s ARG 728 Ca 0.42 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 3hii s ARG 728 Cb -0.18 -0.58 0.00 0.00 0.52 0.00 0.00 34.95 34.71 3hii s ARG 728 CO 0.17 0.04 0.54 0.91 0.02 0.00 0.00 175.30 176.98 3hii n TRP 729 N -0.22 0.00 -3.90 -0.53 8.01 -1.25 -4.98 117.44 114.57 3hii n TRP 729 Ca -0.09 -0.09 -0.12 0.00 -1.31 0.00 0.00 57.50 55.88 3hii n TRP 729 Cb 0.61 -0.01 -0.14 0.00 -2.01 0.00 0.00 31.31 29.76 3hii n TRP 729 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3hii s ILE 730 N -0.18 0.04 0.60 -0.99 1.01 -1.22 -4.93 121.20 115.52 3hii s ILE 730 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.39 3hii s ILE 730 Cb 0.00 -0.05 -0.03 0.00 0.01 0.00 0.00 42.46 42.39 3hii s ILE 730 CO 0.00 -0.02 1.21 -2.84 0.00 0.00 0.00 174.94 173.29 3hii s PRO 731 N -0.09 2.93 0.33 2.79 0.02 -1.26 -4.93 135.00 134.79 3hii s PRO 731 Ca -0.01 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.56 3hii s PRO 731 Cb -0.01 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 3hii s PRO 731 CO -0.00 -1.24 1.38 -1.91 -0.33 0.00 0.00 177.00 174.90 3hii n GLU 732 N -1.64 2.27 -4.86 5.54 2.13 -1.26 -5.00 120.64 117.83 3hii n GLU 732 Ca 0.14 0.80 -0.28 0.00 0.66 0.00 0.00 57.16 58.48 3hii n GLU 732 Cb 0.50 -2.44 -0.17 0.00 0.27 0.00 0.00 31.44 29.60 3hii n GLU 732 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3hii s ASP 733 N -0.10 2.33 -0.04 4.31 2.15 -1.26 -4.98 116.67 119.09 3hii s ASP 733 Ca 0.58 -0.41 0.05 0.00 0.43 0.00 0.00 52.55 53.21 3hii s ASP 733 Cb -0.56 -1.03 0.08 0.00 -0.30 0.00 0.00 42.92 41.11 3hii s ASP 733 CO 0.59 0.10 0.93 0.54 -0.17 0.00 0.00 175.17 177.16 3hii n ARG 734 N 3.63 0.99 -2.11 4.34 1.74 -1.26 -5.09 116.66 118.90 3hii n ARG 734 Ca -0.21 -1.44 -0.39 0.00 -0.77 0.00 0.00 57.85 55.05 3hii n ARG 734 Cb 0.52 -0.89 -0.00 0.00 -1.02 0.00 0.00 32.46 31.07 3hii n ARG 734 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hii s ASP 735 N -1.31 6.18 0.08 0.55 1.01 -1.26 -5.04 116.67 116.88 3hii s ASP 735 Ca 0.09 2.53 0.08 0.00 0.71 0.00 0.00 52.55 55.97 3hii s ASP 735 Cb 0.08 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3hii s ASP 735 CO 0.01 -0.92 -0.22 0.00 0.21 0.00 0.00 175.17 174.24 3hii s SER 737 N -1.58 0.05 0.07 0.00 1.04 -1.26 -4.97 113.70 107.05 3hii s SER 737 Ca 0.09 -0.94 -0.07 0.00 0.48 0.00 0.00 55.95 55.51 3hii s SER 737 Cb -0.10 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 3hii s SER 737 CO 0.03 -0.91 0.33 -0.04 0.98 0.00 0.00 173.24 173.64 3hii s MET 738 N -3.99 3.64 0.71 4.02 -1.94 -1.26 -4.81 119.30 115.67 3hii s MET 738 Ca 0.20 -0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 54.10 3hii s MET 738 Cb 0.03 -2.99 0.08 0.00 2.01 0.00 0.00 34.83 33.96 3hii s MET 738 CO 0.02 0.57 1.01 -1.25 -0.01 0.00 0.00 175.02 175.36 3hii s PRO 739 N -2.07 1.99 0.44 2.03 0.04 -1.26 -5.03 135.00 131.15 3hii s PRO 739 Ca 0.33 -0.49 -0.23 0.00 0.04 0.00 0.00 61.00 60.65 3hii s PRO 739 Cb -0.13 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 3hii s PRO 739 CO 0.19 -1.32 0.83 -2.30 0.04 0.00 0.00 177.00 174.44 3hii n PRO 740 N -2.91 1.01 -1.57 0.56 -0.02 -1.26 -4.94 135.00 125.86 3hii n PRO 740 Ca 0.10 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 3hii n PRO 740 Cb 0.60 -1.86 0.08 0.00 -0.02 0.00 0.00 33.50 32.30 3hii n PRO 740 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hii s PRO 741 N -1.95 2.32 0.29 0.52 0.02 -1.26 -4.92 135.00 130.01 3hii s PRO 741 Ca 0.65 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 3hii s PRO 741 Cb -0.55 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.01 3hii s PRO 741 CO 0.56 -1.72 1.47 0.12 -0.33 0.00 0.00 177.00 177.10 3hii s PHE 742 N -1.81 2.90 0.06 6.54 5.36 -1.26 -5.02 117.98 124.75 3hii s PHE 742 Ca 0.77 1.03 -0.08 0.00 -0.96 0.00 0.00 56.93 57.68 3hii s PHE 742 Cb -0.31 -3.89 -0.00 0.00 -0.34 0.00 0.00 43.02 38.47 3hii s PHE 742 CO 0.43 -2.85 0.16 -1.54 -1.46 0.00 0.00 175.22 169.96 3hii s SER 743 N 0.23 0.11 -0.18 6.13 1.04 -1.26 -5.16 113.70 114.61 3hii s SER 743 Ca 0.58 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.37 3hii s SER 743 Cb -0.44 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.03 3hii s SER 743 CO 0.48 -0.61 0.46 -0.47 0.98 0.00 0.00 173.24 174.07 3hii s TYR 744 N -3.12 -0.64 -0.17 5.02 5.04 -1.26 -4.63 117.35 117.59 3hii s TYR 744 Ca -0.01 1.38 -0.14 0.00 -2.44 0.00 0.00 57.07 55.86 3hii s TYR 744 Cb 0.02 0.29 -0.05 0.00 0.35 0.00 0.00 41.96 42.56 3hii s TYR 744 CO -0.07 -0.34 -0.27 -1.71 -1.34 0.00 0.00 175.55 171.82 3hii n ASN 745 N 3.95 1.88 0.00 4.32 2.85 -1.26 -5.02 115.26 121.99 3hii n ASN 745 Ca -0.21 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 3hii n ASN 745 Cb 0.56 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.78 3hii n ASN 745 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hii n GLY 746 N 1.52 1.55 3.80 8.20 0.00 -1.26 -5.04 105.19 113.97 3hii n GLY 746 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 3hii n GLY 746 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hii s THR 747 N -2.87 4.47 -0.18 2.61 -4.23 -1.26 -5.02 115.64 109.16 3hii s THR 747 Ca 0.00 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 3hii s THR 747 Cb 0.00 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.61 3hii s THR 747 CO 0.00 -0.15 0.16 -0.72 -0.54 0.00 0.00 174.62 173.37 3hii s TYR 748 N -1.81 -0.05 0.09 3.99 -0.85 -1.26 -4.62 117.35 112.84 3hii s TYR 748 Ca 0.31 -0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 56.84 3hii s TYR 748 Cb -0.10 -0.51 -0.04 0.00 0.38 0.00 0.00 41.96 41.69 3hii s TYR 748 CO 0.24 -0.55 -0.00 1.03 -1.52 0.00 0.00 175.55 174.74 3hii s ARG 749 N 2.24 0.79 0.72 -3.49 1.81 -1.15 -4.83 118.95 115.04 3hii s ARG 749 Ca 0.04 -1.34 -0.15 0.00 -1.72 0.00 0.00 55.73 52.57 3hii s ARG 749 Cb -0.16 0.11 0.03 0.00 -0.45 0.00 0.00 34.95 34.49 3hii s ARG 749 CO -0.10 -0.15 1.19 -2.14 -0.68 0.00 0.00 175.30 173.42 3hii s PRO 750 N -3.95 2.24 0.00 3.54 0.02 -1.25 -0.66 135.00 134.93 3hii s PRO 750 Ca 0.15 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3hii s PRO 750 Cb 0.07 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.74 3hii s PRO 750 CO -0.04 -1.74 0.29 0.28 -0.33 0.00 0.00 177.00 175.46