#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjg s PHE 4 N 0.00 3.44 0.14 -1.55 0.40 -1.26 -5.00 117.98 114.16 1mjg s PHE 4 Ca 0.00 0.92 -0.14 0.00 -0.60 0.00 0.00 56.93 57.11 1mjg s PHE 4 Cb 0.00 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.23 1mjg s PHE 4 CO 0.00 0.11 1.67 -0.09 0.70 0.00 0.00 175.22 177.61 1mjg h ARG 5 N 1.91 0.72 -6.15 0.44 2.43 -1.94 -3.37 114.38 108.42 1mjg h ARG 5 Ca -0.47 -0.15 -0.52 0.00 -0.81 0.00 0.00 59.98 58.03 1mjg h ARG 5 Cb 1.18 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 1mjg h ARG 5 CO 0.66 0.68 1.24 0.34 -1.51 0.00 0.00 179.97 181.38 1mjg s ASP 6 N -6.01 5.65 0.62 -3.80 -1.08 -1.26 -4.85 116.67 105.94 1mjg s ASP 6 Ca -0.13 0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.40 1mjg s ASP 6 Cb 0.11 -2.54 1.76 0.00 -1.46 0.00 0.00 42.92 40.79 1mjg s ASP 6 CO 0.78 -2.11 2.09 -0.07 0.52 0.00 0.00 175.17 176.38 1mjg h LEU 7 N 14.95 0.00 -0.03 -1.34 3.38 -2.02 0.28 115.31 130.53 1mjg h LEU 7 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1mjg h LEU 7 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mjg h LEU 7 CO 1.22 0.00 -0.03 -1.54 0.09 0.00 0.00 178.44 178.17 1mjg n SER 8 N -3.52 0.08 -4.50 -0.43 3.41 -1.26 -4.68 113.62 102.71 1mjg n SER 8 Ca 0.01 -0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 1mjg n SER 8 Cb 0.32 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1mjg n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1mjg s HIS 9 N -2.69 3.07 0.39 7.33 5.65 0.08 -5.04 115.29 124.09 1mjg s HIS 9 Ca 0.24 -0.16 0.02 0.00 0.25 0.00 0.00 55.06 55.41 1mjg s HIS 9 Cb 0.20 -3.32 -0.01 0.00 -1.18 0.00 0.00 32.58 28.27 1mjg s HIS 9 CO 0.49 -0.87 0.07 0.27 -0.65 0.00 0.00 174.74 174.05 1mjg n ASN 10 N 6.18 2.08 0.00 9.88 0.23 -1.26 -4.65 115.26 127.72 1mjg n ASN 10 Ca -0.03 -2.89 0.06 0.00 -0.53 0.00 0.00 54.58 51.19 1mjg n ASN 10 Cb 0.47 0.63 0.28 0.00 -2.08 0.00 0.00 39.78 39.09 1mjg n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mjg s ARG 12 N -2.81 3.24 0.77 0.00 0.52 -1.26 -4.68 118.95 114.72 1mjg s ARG 12 Ca 0.08 -0.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 1mjg s ARG 12 Cb 0.08 -2.83 0.05 0.00 0.52 0.00 0.00 34.95 32.77 1mjg s ARG 12 CO 0.20 0.49 1.08 -1.25 0.02 0.00 0.00 175.30 175.84 1mjg s PRO 13 N -3.36 2.31 1.17 3.54 0.04 -1.24 -4.97 135.00 132.50 1mjg s PRO 13 Ca 0.33 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1mjg s PRO 13 Cb -0.10 -1.91 0.28 0.00 0.04 0.00 0.00 34.50 32.80 1mjg s PRO 13 CO 0.27 -1.57 1.13 -1.54 0.04 0.00 0.00 177.00 175.33 1mjg s SER 14 N -3.54 1.16 -0.00 6.66 1.04 -1.26 -4.92 113.70 112.84 1mjg s SER 14 Ca 0.61 0.63 0.03 0.00 0.48 0.00 0.00 55.95 57.69 1mjg s SER 14 Cb -0.16 -0.87 0.08 0.00 0.10 0.00 0.00 66.02 65.16 1mjg s SER 14 CO 0.56 -3.97 1.03 -0.62 0.98 0.00 0.00 173.24 171.22 1mjg n GLU 15 N -4.66 1.22 -1.64 4.02 -0.58 -1.26 -4.92 120.64 112.82 1mjg n GLU 15 Ca 0.13 -0.31 -0.37 0.00 -0.42 0.00 0.00 57.16 56.19 1mjg n GLU 15 Cb 0.59 -1.11 0.06 0.00 -0.57 0.00 0.00 31.44 30.42 1mjg n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mjg n ALA 16 N -0.22 0.46 -1.77 0.62 0.00 -1.26 -4.93 120.51 113.40 1mjg n ALA 16 Ca 0.03 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1mjg n ALA 16 Cb 0.09 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 1mjg n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mjg s PRO 17 N -3.03 4.02 0.30 0.00 0.04 -1.26 -4.93 135.00 130.14 1mjg s PRO 17 Ca 0.79 1.87 0.14 0.00 0.04 0.00 0.00 61.00 63.83 1mjg s PRO 17 Cb -0.40 -2.66 0.41 0.00 0.04 0.00 0.00 34.50 31.90 1mjg s PRO 17 CO 0.44 -0.36 1.62 0.00 0.04 0.00 0.00 177.00 178.74 1mjg h ARG 18 N 2.59 0.00 -4.82 4.56 2.47 -1.94 -3.42 114.38 113.82 1mjg h ARG 18 Ca -0.49 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.62 1mjg h ARG 18 Cb 1.24 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.21 1mjg h ARG 18 CO 0.62 0.55 -0.84 0.08 0.56 0.00 0.00 179.97 180.94 1mjg s VAL 19 N -3.49 1.67 -0.05 2.04 1.01 -1.26 -4.62 120.40 115.69 1mjg s VAL 19 Ca -0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 1mjg s VAL 19 Cb 0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1mjg s VAL 19 CO 0.74 0.47 0.73 -0.04 0.00 0.00 0.00 175.10 177.00 1mjg s MET 20 N 1.18 4.45 -0.83 2.72 -1.94 -0.75 -4.44 119.30 119.70 1mjg s MET 20 Ca -0.01 0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 54.80 1mjg s MET 20 Cb -0.14 -3.44 0.02 0.00 2.01 0.00 0.00 34.83 33.28 1mjg s MET 20 CO -0.06 0.07 0.53 0.39 -0.01 0.00 0.00 175.02 175.94 1mjg n GLU 21 N 3.71 -0.91 0.18 2.03 1.02 -1.26 -4.78 120.64 120.62 1mjg n GLU 21 Ca -0.01 0.36 0.16 0.00 -0.02 0.00 0.00 57.16 57.65 1mjg n GLU 21 Cb 0.51 -1.88 0.60 0.00 -0.02 0.00 0.00 31.44 30.65 1mjg n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1mjg h PRO 22 N -0.77 0.00 -0.15 3.49 0.13 -1.95 -0.11 132.00 132.63 1mjg h PRO 22 Ca -0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1mjg h PRO 22 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1mjg h PRO 22 CO 0.36 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.76 1mjg n LYS 23 N -3.11 2.38 -3.35 0.86 4.76 -1.26 -4.61 118.16 113.82 1mjg n LYS 23 Ca 0.05 -2.05 -0.40 0.00 -2.87 0.00 0.00 58.31 53.03 1mjg n LYS 23 Cb 0.73 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 32.35 1mjg n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1mjg s ASN 24 N -1.81 6.24 0.40 4.39 3.84 -0.06 -4.97 114.94 122.98 1mjg s ASN 24 Ca 0.32 -0.01 0.25 0.00 0.21 0.00 0.00 52.86 53.63 1mjg s ASN 24 Cb 0.21 -2.22 0.60 0.00 -0.55 0.00 0.00 41.25 39.28 1mjg s ASN 24 CO 0.30 -0.33 1.70 0.08 -2.79 0.00 0.00 177.10 176.06 1mjg h ARG 25 N 8.37 0.00 -2.43 0.43 0.11 -1.86 -3.35 114.38 115.65 1mjg h ARG 25 Ca -0.30 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.26 1mjg h ARG 25 Cb 1.14 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.15 1mjg h ARG 25 CO 0.70 0.00 1.64 -0.25 0.10 0.00 0.00 179.97 182.16 1mjg n ASP 26 N -2.89 7.17 -3.35 0.08 8.00 -1.26 -4.77 116.55 119.54 1mjg n ASP 26 Ca 0.04 -2.82 -0.38 0.00 0.71 0.00 0.00 54.79 52.33 1mjg n ASP 26 Cb 0.47 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 1mjg n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mjg n ARG 27 N 2.26 3.51 -3.46 -1.24 1.74 -1.26 -4.85 116.66 113.37 1mjg n ARG 27 Ca 0.59 -2.20 -0.13 0.00 -0.77 0.00 0.00 57.85 55.34 1mjg n ARG 27 Cb 0.49 -2.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.06 1mjg n ARG 27 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1mjg s THR 28 N 2.37 0.00 -0.41 0.55 -1.32 -1.26 -0.36 115.64 115.21 1mjg s THR 28 Ca 0.66 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.18 1mjg s THR 28 Cb 0.17 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.28 1mjg s THR 28 CO -0.06 0.00 1.05 1.33 -2.21 0.00 0.00 174.62 174.73 1mjg n VAL 29 N -0.01 0.89 -2.91 5.08 0.24 -0.93 -4.84 118.33 115.85 1mjg n VAL 29 Ca -0.16 -0.94 -0.42 0.00 -2.04 0.00 0.00 64.34 60.77 1mjg n VAL 29 Cb 0.62 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 1mjg n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mjg s ASP 30 N -0.93 6.56 0.22 -1.34 -1.08 -1.26 -4.95 116.67 113.90 1mjg s ASP 30 Ca 0.09 0.34 -0.08 0.00 -0.52 0.00 0.00 52.55 52.38 1mjg s ASP 30 Cb 0.05 -2.41 0.34 0.00 -1.46 0.00 0.00 42.92 39.44 1mjg s ASP 30 CO 0.06 -0.80 1.70 -0.65 0.52 0.00 0.00 175.17 176.01 1mjg h PRO 31 N 8.57 0.28 -0.86 4.34 0.11 -1.98 -1.32 132.00 141.14 1mjg h PRO 31 Ca -0.24 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1mjg h PRO 31 Cb 1.09 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1mjg h PRO 31 CO 0.94 0.18 0.55 0.00 -0.21 0.00 0.00 178.00 179.46 1mjg h ALA 32 N 1.51 1.13 -0.52 -0.75 0.00 -1.95 -1.43 119.26 117.26 1mjg h ALA 32 Ca 0.35 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1mjg h ALA 32 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1mjg h ALA 32 CO -0.42 0.38 -0.16 0.28 0.00 0.00 0.00 179.25 179.33 1mjg h VAL 33 N 1.06 1.27 -0.66 0.00 2.07 -1.69 -1.49 116.25 116.80 1mjg h VAL 33 Ca 0.35 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1mjg h VAL 33 Cb 0.03 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1mjg h VAL 33 CO -0.12 0.46 0.42 -0.07 0.02 0.00 0.00 177.57 178.28 1mjg h LEU 34 N 0.90 0.78 -0.37 2.57 3.38 -0.79 0.74 115.31 122.52 1mjg h LEU 34 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1mjg h LEU 34 Cb 0.73 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1mjg h LEU 34 CO 0.06 0.59 0.19 -0.33 0.09 0.00 0.00 178.44 179.04 1mjg h GLU 35 N 0.90 0.53 -0.01 1.13 5.08 -1.06 -2.74 114.58 118.41 1mjg h GLU 35 Ca 0.24 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1mjg h GLU 35 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1mjg h GLU 35 CO -0.05 0.45 -0.36 0.52 -1.00 0.00 0.00 179.01 178.57 1mjg h MET 36 N 0.47 0.02 0.00 2.33 2.86 -0.85 -2.01 114.93 117.76 1mjg h MET 36 Ca 0.13 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1mjg h MET 36 Cb 0.08 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1mjg h MET 36 CO -0.02 0.38 -0.06 -0.07 1.06 0.00 0.00 176.91 178.20 1mjg h LEU 37 N 0.02 0.00 -0.18 1.22 -0.00 -0.55 0.86 115.31 116.68 1mjg h LEU 37 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 1mjg h LEU 37 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1mjg h LEU 37 CO 0.05 0.06 -0.36 0.58 -0.00 0.00 0.00 178.44 178.77 1mjg h VAL 38 N 0.00 1.34 -0.21 1.22 2.07 -1.27 -2.60 116.25 116.80 1mjg h VAL 38 Ca -0.00 -1.60 -0.17 0.00 0.82 0.00 0.00 66.70 65.75 1mjg h VAL 38 Cb 0.16 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1mjg h VAL 38 CO 0.01 0.49 -0.56 0.50 0.02 0.00 0.00 177.57 178.02 1mjg h LYS 39 N 0.21 0.65 -0.56 1.57 3.64 -1.25 -2.31 116.57 118.53 1mjg h LYS 39 Ca 0.01 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 1mjg h LYS 39 Cb 0.96 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1mjg h LYS 39 CO 0.08 1.04 0.02 0.66 -2.27 0.00 0.00 179.45 178.98 1mjg h SER 40 N 0.50 0.91 -0.67 4.20 4.64 -0.92 0.28 113.55 122.49 1mjg h SER 40 Ca 0.01 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1mjg h SER 40 Cb 1.13 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1mjg h SER 40 CO 0.11 0.96 0.28 0.50 -0.87 0.00 0.00 176.83 177.80 1mjg h LYS 41 N 0.87 1.00 -0.44 4.77 3.64 -1.39 0.55 116.57 125.57 1mjg h LYS 41 Ca 0.17 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1mjg h LYS 41 Cb 0.49 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1mjg h LYS 41 CO 0.02 0.82 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.45 1mjg h ASP 42 N 0.94 0.89 0.00 4.20 5.19 -0.83 -2.41 116.42 124.40 1mjg h ASP 42 Ca 0.22 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1mjg h ASP 42 Cb 0.19 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1mjg h ASP 42 CO -0.02 1.06 0.00 0.47 -3.12 0.00 0.00 179.24 177.63 1mjg n ASP 43 N -4.24 0.00 -3.74 6.45 8.00 0.93 -4.88 116.55 119.07 1mjg n ASP 43 Ca -0.01 -1.09 -0.26 0.00 0.71 0.00 0.00 54.79 54.15 1mjg n ASP 43 Cb 0.40 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1mjg n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mjg n LYS 44 N -0.88 -6.32 -4.02 -1.24 5.02 -0.49 -4.97 118.16 105.25 1mjg n LYS 44 Ca 0.16 0.70 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 1mjg n LYS 44 Cb 0.07 -5.60 -0.09 0.00 -0.02 0.00 0.00 35.03 29.39 1mjg n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mjg s VAL 45 N -3.37 4.89 -0.04 -0.18 1.01 0.06 -5.03 120.40 117.75 1mjg s VAL 45 Ca 0.49 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 1mjg s VAL 45 Cb -0.23 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1mjg s VAL 45 CO 0.79 0.51 0.62 -0.63 0.00 0.00 0.00 175.10 176.38 1mjg s ILE 46 N -0.07 4.98 0.39 2.22 1.01 -1.26 -4.55 121.20 123.93 1mjg s ILE 46 Ca 0.07 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.03 1mjg s ILE 46 Cb -0.12 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1mjg s ILE 46 CO 0.01 0.35 0.07 0.42 0.00 0.00 0.00 174.94 175.79 1mjg s THR 47 N 0.23 1.04 0.50 2.92 -4.23 -1.26 -4.93 115.64 109.91 1mjg s THR 47 Ca 0.32 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.07 1mjg s THR 47 Cb -0.18 -2.56 0.41 0.00 1.34 0.00 0.00 72.50 71.51 1mjg s THR 47 CO 0.17 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.19 1mjg h ALA 48 N 1.85 2.46 -0.46 3.99 0.00 -1.98 0.23 119.26 125.36 1mjg h ALA 48 Ca -0.40 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1mjg h ALA 48 Cb 1.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1mjg h ALA 48 CO 0.67 -0.66 -0.10 0.74 0.00 0.00 0.00 179.25 179.90 1mjg h PHE 49 N 0.13 0.91 0.01 0.00 -1.00 -1.88 -0.67 116.94 114.43 1mjg h PHE 49 Ca 0.34 -0.17 -0.27 0.00 2.81 0.00 0.00 57.97 60.68 1mjg h PHE 49 Cb 1.14 -0.23 0.02 0.00 3.61 0.00 0.00 35.95 40.49 1mjg h PHE 49 CO -0.00 0.88 -1.05 -0.44 -1.61 0.00 0.00 178.31 176.09 1mjg h ASP 50 N 0.75 0.89 -0.64 2.17 3.32 -1.32 -3.02 116.42 118.57 1mjg h ASP 50 Ca 0.13 -0.72 -0.04 0.00 0.02 0.00 0.00 57.03 56.42 1mjg h ASP 50 Cb 0.59 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1mjg h ASP 50 CO 0.04 1.52 0.27 0.03 -1.72 0.00 0.00 179.24 179.38 1mjg h ARG 51 N 0.38 0.97 0.01 3.56 3.08 -1.03 -1.31 114.38 120.04 1mjg h ARG 51 Ca -0.13 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.77 1mjg h ARG 51 Cb 1.70 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1mjg h ARG 51 CO 0.20 0.79 -0.04 0.35 -1.07 0.00 0.00 179.97 180.20 1mjg h PHE 52 N 0.96 -0.10 -0.75 3.04 3.57 -1.11 -2.00 116.94 120.56 1mjg h PHE 52 Ca 0.23 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1mjg h PHE 52 Cb 0.17 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1mjg h PHE 52 CO 0.01 -0.06 0.48 0.28 -2.23 0.00 0.00 178.31 176.79 1mjg h VAL 53 N -0.07 1.13 0.00 1.41 2.07 -1.36 -2.14 116.25 117.28 1mjg h VAL 53 Ca 0.01 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1mjg h VAL 53 Cb 0.09 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1mjg h VAL 53 CO -0.04 0.17 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 1mjg h ALA 54 N 1.31 1.61 0.00 1.67 0.00 -0.86 -2.36 119.26 120.62 1mjg h ALA 54 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1mjg h ALA 54 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mjg h ALA 54 CO -0.10 0.09 0.00 1.96 0.00 0.00 0.00 179.25 181.20 1mjg h GLN 55 N 0.00 0.00 -6.72 0.00 1.08 -0.68 -3.46 115.11 105.32 1mjg h GLN 55 Ca -0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1mjg h GLN 55 Cb 0.15 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1mjg h GLN 55 CO 0.01 0.00 0.69 -0.65 -0.95 0.00 0.00 178.83 177.93 1mjg s GLN 56 N -3.29 4.35 0.17 1.46 -1.52 -0.89 -3.43 119.66 116.51 1mjg s GLN 56 Ca 0.06 2.15 -0.16 0.00 -1.95 0.00 0.00 55.36 55.46 1mjg s GLN 56 Cb 0.06 -3.15 -0.07 0.00 -0.22 0.00 0.00 33.01 29.62 1mjg s GLN 56 CO 0.64 -0.30 0.61 -1.25 -0.25 0.00 0.00 175.29 174.74 1mjg s PRO 57 N -0.37 4.07 0.27 2.91 0.04 -1.26 -5.08 135.00 135.58 1mjg s PRO 57 Ca 0.57 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1mjg s PRO 57 Cb -0.39 -2.91 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 1mjg s PRO 57 CO 0.41 0.45 0.70 -0.65 0.04 0.00 0.00 177.00 177.95 1mjg s GLN 58 N -1.98 4.05 -0.23 4.56 -0.21 -1.22 -4.98 119.66 119.66 1mjg s GLN 58 Ca 0.40 0.67 -0.36 0.00 0.02 0.00 0.00 55.36 56.09 1mjg s GLN 58 Cb -0.15 -2.62 -0.13 0.00 1.00 0.00 0.00 33.01 31.11 1mjg s GLN 58 CO 0.20 0.27 1.95 0.00 -2.12 0.00 0.00 175.29 175.58 1mjg h LYS 60 N 9.77 0.81 0.01 0.00 3.64 -1.98 -0.74 116.57 128.08 1mjg h LYS 60 Ca -0.41 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1mjg h LYS 60 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1mjg h LYS 60 CO 0.97 0.92 -0.00 0.82 -2.27 0.00 0.00 179.45 179.89 1mjg h ILE 61 N 0.72 1.01 -0.56 2.00 2.04 -1.98 -0.89 117.51 119.86 1mjg h ILE 61 Ca 0.11 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1mjg h ILE 61 Cb 0.66 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1mjg h ILE 61 CO 0.05 0.01 0.02 1.23 0.00 0.00 0.00 178.15 179.46 1mjg h GLY 62 N -0.04 1.01 1.08 5.37 0.00 -1.92 -2.60 103.07 105.97 1mjg h GLY 62 Ca -0.00 -0.70 0.08 0.00 0.00 0.00 0.00 47.33 46.70 1mjg h GLY 62 CO 0.00 0.65 0.43 -1.82 0.00 0.00 0.00 176.54 175.80 1mjg h TYR 63 N 0.87 0.60 -0.06 5.60 3.20 -0.72 -1.44 116.97 125.02 1mjg h TYR 63 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1mjg h TYR 63 Cb 0.49 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1mjg h TYR 63 CO 0.03 0.31 0.00 0.39 -1.64 0.00 0.00 178.16 177.25 1mjg n GLU 64 N -4.48 1.78 -1.05 1.82 1.02 -0.37 -4.01 120.64 115.34 1mjg n GLU 64 Ca 0.10 -1.14 -0.02 0.00 -0.02 0.00 0.00 57.16 56.08 1mjg n GLU 64 Cb 0.28 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1mjg n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 65 N 1.20 0.52 2.04 0.62 0.00 -0.54 -0.74 105.19 108.28 1mjg n GLY 65 Ca 0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 1mjg n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mjg n ILE 66 N -2.79 2.97 -4.50 -0.61 -5.35 -1.09 -3.44 119.36 104.55 1mjg n ILE 66 Ca -0.02 -1.64 -0.33 0.00 -0.27 0.00 0.00 62.75 60.49 1mjg n ILE 66 Cb 0.14 -0.36 -0.16 0.00 -1.74 0.00 0.00 39.64 37.52 1mjg n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mjg n ARG 69 N 3.21 1.71 0.00 0.00 1.74 -1.26 -1.46 116.66 120.60 1mjg n ARG 69 Ca -0.18 -3.27 0.15 0.00 -0.77 0.00 0.00 57.85 53.78 1mjg n ARG 69 Cb 0.53 -1.38 0.76 0.00 -1.02 0.00 0.00 32.46 31.35 1mjg n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mjg n PHE 70 N -0.42 0.00 -3.88 -1.55 3.01 -1.26 -4.87 117.46 108.49 1mjg n PHE 70 Ca 0.16 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.53 1mjg n PHE 70 Cb 0.91 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 40.08 1mjg n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mjg n MET 72 N -0.35 0.64 0.13 0.00 2.81 -1.26 -2.53 117.12 116.56 1mjg n MET 72 Ca -0.06 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1mjg n MET 72 Cb 0.62 -1.34 0.18 0.00 -0.71 0.00 0.00 33.22 31.97 1mjg n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mjg h ALA 73 N 2.98 0.79 -3.07 3.04 0.00 -1.98 -3.46 119.26 117.55 1mjg h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mjg h ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mjg h ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1mjg n GLY 74 N 1.22 0.02 3.77 0.00 0.00 -1.05 -4.83 105.19 104.32 1mjg n GLY 74 Ca 0.03 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1mjg n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mjg s PRO 75 N 0.11 3.93 0.14 1.61 0.02 -1.26 -5.07 135.00 134.48 1mjg s PRO 75 Ca 0.00 2.12 0.10 0.00 0.02 0.00 0.00 61.00 63.24 1mjg s PRO 75 Cb 0.00 -2.72 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 1mjg s PRO 75 CO 0.00 -0.51 -0.21 0.00 -0.33 0.00 0.00 177.00 175.95 1mjg s ARG 77 N -2.25 0.29 -0.26 0.00 1.70 -1.26 -0.33 118.95 116.84 1mjg s ARG 77 Ca 0.18 -0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 55.06 1mjg s ARG 77 Cb -0.10 0.12 -0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1mjg s ARG 77 CO 0.09 -0.06 1.31 0.42 -1.08 0.00 0.00 175.30 175.98 1mjg s ILE 78 N -0.57 4.15 -0.04 4.99 -1.09 -0.85 -4.87 121.20 122.92 1mjg s ILE 78 Ca -0.06 1.33 0.22 0.00 -2.23 0.00 0.00 60.65 59.91 1mjg s ILE 78 Cb -0.04 -4.08 -0.32 0.00 -1.58 0.00 0.00 42.46 36.43 1mjg s ILE 78 CO 0.01 -0.37 0.50 0.29 -1.23 0.00 0.00 174.94 174.14 1mjg n LYS 79 N 7.13 0.66 -3.90 2.79 5.02 -0.12 -5.03 118.16 124.71 1mjg n LYS 79 Ca 0.15 -0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 1mjg n LYS 79 Cb 0.46 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1mjg n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mjg s ALA 80 N -3.51 -0.72 -0.53 7.82 0.00 -1.19 -4.99 121.76 118.63 1mjg s ALA 80 Ca -0.08 -0.64 0.24 0.00 0.00 0.00 0.00 51.96 51.48 1mjg s ALA 80 Cb 0.14 0.88 0.44 0.00 0.00 0.00 0.00 23.12 24.58 1mjg s ALA 80 CO 0.90 -0.97 1.54 1.79 0.00 0.00 0.00 175.76 179.03 1mjg h THR 81 N 2.06 0.00 -3.84 0.00 1.35 -1.91 -3.34 112.91 107.23 1mjg h THR 81 Ca -0.25 -0.76 -0.12 0.00 -0.55 0.00 0.00 66.41 64.73 1mjg h THR 81 Cb 1.25 1.62 -0.09 0.00 -1.73 0.00 0.00 68.15 69.20 1mjg h THR 81 CO 0.31 0.00 -0.18 1.51 -0.25 0.00 0.00 175.52 176.91 1mjg s ASP 82 N -5.26 0.15 0.00 5.36 -4.77 -1.26 -4.88 116.67 106.01 1mjg s ASP 82 Ca 0.07 -1.11 0.00 0.00 -3.30 0.00 0.00 52.55 48.21 1mjg s ASP 82 Cb 0.09 0.59 0.00 0.00 -1.09 0.00 0.00 42.92 42.51 1mjg s ASP 82 CO 0.67 -1.16 0.00 0.61 0.70 0.00 0.00 175.17 176.00 1mjg n GLY 83 N -0.41 -0.22 0.11 2.12 0.00 -1.26 -4.15 105.19 101.38 1mjg n GLY 83 Ca -0.01 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.25 1mjg n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mjg n PRO 84 N -0.23 0.09 -0.31 1.61 -0.04 -1.26 -1.60 135.00 133.27 1mjg n PRO 84 Ca 0.00 0.56 0.09 0.00 -0.04 0.00 0.00 63.50 64.11 1mjg n PRO 84 Cb 0.00 -1.87 0.26 0.00 -0.04 0.00 0.00 33.50 31.84 1mjg n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mjg n GLY 85 N -1.33 2.64 0.59 0.55 0.00 -1.26 -4.42 105.19 101.96 1mjg n GLY 85 Ca -0.01 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1mjg n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mjg n SER 86 N 1.15 1.81 -4.04 1.61 3.41 -0.63 -0.94 113.62 115.98 1mjg n SER 86 Ca 0.19 -1.68 -0.09 0.00 -0.26 0.00 0.00 58.87 57.03 1mjg n SER 86 Cb 0.56 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 1mjg n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mjg s ARG 87 N -1.85 1.01 1.03 4.33 0.52 -1.26 -4.44 118.95 118.29 1mjg s ARG 87 Ca 0.34 -1.27 -0.15 0.00 -0.52 0.00 0.00 55.73 54.13 1mjg s ARG 87 Cb 0.19 0.31 0.20 0.00 0.52 0.00 0.00 34.95 36.17 1mjg s ARG 87 CO 0.29 -0.33 1.13 0.20 0.02 0.00 0.00 175.30 176.61 1mjg s GLY 88 N -2.99 1.59 0.25 -3.53 0.00 -0.03 -4.84 107.32 97.77 1mjg s GLY 88 Ca 0.19 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 1mjg s GLY 88 CO -0.01 0.04 1.87 -2.22 0.00 0.00 0.00 173.10 172.79 1mjg h ILE 89 N -1.96 1.09 0.00 0.90 2.04 -1.94 0.53 117.51 118.17 1mjg h ILE 89 Ca -0.50 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1mjg h ILE 89 Cb 1.32 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1mjg h ILE 89 CO 0.51 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.86 1mjg n GLY 91 N 0.49 0.31 3.65 0.00 0.00 0.18 -4.92 105.19 104.90 1mjg n GLY 91 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 1mjg n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 92 N -1.90 0.79 -1.63 4.61 0.00 -1.26 -4.51 120.51 116.60 1mjg n ALA 92 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 1mjg n ALA 92 Cb 0.00 -2.26 0.09 0.00 0.00 0.00 0.00 19.45 17.28 1mjg n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mjg s SER 93 N 0.56 4.55 0.31 0.00 0.01 -1.26 -0.85 113.70 117.02 1mjg s SER 93 Ca 0.75 1.20 -0.00 0.00 1.31 0.00 0.00 55.95 59.21 1mjg s SER 93 Cb -0.72 -1.91 0.51 0.00 0.21 0.00 0.00 66.02 64.10 1mjg s SER 93 CO 0.44 -1.92 1.96 0.00 0.41 0.00 0.00 173.24 174.13 1mjg h ALA 94 N -1.06 1.43 -0.21 1.44 0.00 -1.94 -2.15 119.26 116.78 1mjg h ALA 94 Ca -0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1mjg h ALA 94 Cb 1.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1mjg h ALA 94 CO 0.61 0.50 -0.19 0.11 0.00 0.00 0.00 179.25 180.27 1mjg h TRP 95 N 0.97 0.39 -0.35 0.00 0.09 -1.93 -1.68 115.95 113.44 1mjg h TRP 95 Ca 0.25 -0.06 -0.14 0.00 0.09 0.00 0.00 58.89 59.03 1mjg h TRP 95 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.16 29.09 1mjg h TRP 95 CO 0.00 0.54 -0.32 1.15 0.09 0.00 0.00 178.44 179.91 1mjg h THR 96 N 0.33 1.29 -0.62 0.12 2.02 -1.73 -0.21 112.91 114.10 1mjg h THR 96 Ca 0.06 -1.48 -0.09 0.00 0.77 0.00 0.00 66.41 65.67 1mjg h THR 96 Cb 0.53 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1mjg h THR 96 CO 0.04 0.49 0.05 0.40 0.37 0.00 0.00 175.52 176.86 1mjg h ILE 97 N 0.61 1.26 -0.33 3.11 2.04 -1.20 -0.39 117.51 122.62 1mjg h ILE 97 Ca 0.06 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1mjg h ILE 97 Cb 0.90 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1mjg h ILE 97 CO 0.08 0.40 -0.06 0.58 0.00 0.00 0.00 178.15 179.15 1mjg h VAL 98 N 0.98 1.28 -0.71 1.67 2.07 -1.22 -2.08 116.25 118.23 1mjg h VAL 98 Ca 0.18 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1mjg h VAL 98 Cb 0.50 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1mjg h VAL 98 CO 0.02 0.36 0.43 0.00 0.02 0.00 0.00 177.57 178.40 1mjg h ALA 99 N 0.81 0.95 -0.33 1.67 0.00 -0.71 -0.79 119.26 120.86 1mjg h ALA 99 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1mjg h ALA 99 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1mjg h ALA 99 CO 0.03 0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.66 1mjg h ARG 100 N 0.81 0.43 -0.21 0.00 3.08 -0.92 0.44 114.38 118.01 1mjg h ARG 100 Ca 0.30 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 1mjg h ARG 100 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1mjg h ARG 100 CO -0.14 0.29 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.11 1mjg h ASN 101 N 0.44 0.39 0.41 7.04 2.35 -0.71 0.24 115.58 125.73 1mjg h ASN 101 Ca 0.12 -0.34 -0.17 0.00 -0.55 0.00 0.00 56.30 55.36 1mjg h ASN 101 Cb -0.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1mjg h ASN 101 CO -0.03 0.63 -0.73 1.62 -1.65 0.00 0.00 177.43 177.28 1mjg h VAL 102 N 0.13 1.42 -0.63 2.81 3.04 -1.17 -2.98 116.25 118.88 1mjg h VAL 102 Ca 0.06 -2.23 -0.02 0.00 -1.01 0.00 0.00 66.70 63.49 1mjg h VAL 102 Cb 0.45 2.18 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 1mjg h VAL 102 CO 0.02 0.66 0.31 1.23 -1.01 0.00 0.00 177.57 178.77 1mjg h GLY 103 N 1.55 0.94 0.99 3.17 0.00 0.07 -1.75 103.07 108.04 1mjg h GLY 103 Ca -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1mjg h GLY 103 CO 0.12 0.42 0.29 -2.00 0.00 0.00 0.00 176.54 175.36 1mjg h LEU 104 N 0.88 0.55 -0.23 3.11 5.85 -0.36 0.61 115.31 125.72 1mjg h LEU 104 Ca 0.22 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1mjg h LEU 104 Cb 0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1mjg h LEU 104 CO -0.03 0.44 0.10 0.24 -0.34 0.00 0.00 178.44 178.85 1mjg h MET 105 N 0.62 0.34 -0.93 1.25 2.86 -1.42 -1.94 114.93 115.70 1mjg h MET 105 Ca 0.17 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1mjg h MET 105 Cb -0.02 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.50 1mjg h MET 105 CO -0.03 0.36 0.57 0.82 1.06 0.00 0.00 176.91 179.69 1mjg h ILE 106 N 0.23 0.97 -0.27 -1.22 2.04 -0.99 -2.06 117.51 116.22 1mjg h ILE 106 Ca 0.08 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1mjg h ILE 106 Cb 0.14 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1mjg h ILE 106 CO -0.01 0.18 0.14 -0.07 0.00 0.00 0.00 178.15 178.38 1mjg h LEU 107 N 0.97 0.34 -1.25 1.44 3.38 -0.49 -0.20 115.31 119.50 1mjg h LEU 107 Ca 0.44 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1mjg h LEU 107 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1mjg h LEU 107 CO -0.23 0.35 0.09 0.71 0.09 0.00 0.00 178.44 179.45 1mjg h THR 108 N 0.30 1.19 -0.13 0.22 1.35 -0.94 0.88 112.91 115.78 1mjg h THR 108 Ca 0.09 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1mjg h THR 108 Cb 0.09 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1mjg h THR 108 CO -0.01 0.24 -0.02 1.23 -0.25 0.00 0.00 175.52 176.71 1mjg h GLY 109 N 0.82 0.26 0.99 5.82 0.00 -0.97 -0.90 103.07 109.09 1mjg h GLY 109 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1mjg h GLY 109 CO -0.00 0.20 0.27 0.00 0.00 0.00 0.00 176.54 177.01 1mjg h ALA 110 N 0.71 0.76 -0.39 3.60 0.00 -0.75 -1.22 119.26 121.97 1mjg h ALA 110 Ca 0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1mjg h ALA 110 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mjg h ALA 110 CO 0.01 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.55 1mjg h ALA 111 N 1.11 1.20 -0.05 0.00 0.00 -0.77 0.13 119.26 120.88 1mjg h ALA 111 Ca 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mjg h ALA 111 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mjg h ALA 111 CO -0.02 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 1mjg h ALA 112 N 1.36 0.07 -0.36 0.00 0.00 -0.71 -1.07 119.26 118.55 1mjg h ALA 112 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1mjg h ALA 112 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1mjg h ALA 112 CO 0.02 -0.21 -0.05 0.45 0.00 0.00 0.00 179.25 179.46 1mjg h HIS 113 N -0.27 0.62 -0.36 0.00 3.86 -1.11 -2.25 115.15 115.64 1mjg h HIS 113 Ca 0.01 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1mjg h HIS 113 Cb 0.43 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1mjg h HIS 113 CO 0.06 0.63 0.13 0.00 0.86 0.00 0.00 177.93 179.62 1mjg h GLU 115 N 0.43 0.97 0.22 0.00 4.22 -0.98 0.55 114.58 119.99 1mjg h GLU 115 Ca 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1mjg h GLU 115 Cb 0.21 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mjg h GLU 115 CO -0.01 0.85 -0.11 1.25 -2.18 0.00 0.00 179.01 178.82 1mjg h HIS 116 N 0.93 -0.27 -0.66 0.92 2.76 -1.14 0.10 115.15 117.79 1mjg h HIS 116 Ca 0.20 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 1mjg h HIS 116 Cb 0.31 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1mjg h HIS 116 CO 0.02 -0.10 0.15 0.78 -1.30 0.00 0.00 177.93 177.49 1mjg h GLY 117 N -0.39 1.12 1.02 5.26 0.00 -0.96 -2.09 103.07 107.02 1mjg h GLY 117 Ca -0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 1mjg h GLY 117 CO 0.05 0.65 0.06 -0.57 0.00 0.00 0.00 176.54 176.73 1mjg h ASN 118 N 0.99 0.89 -0.23 0.19 -0.00 -0.77 -0.55 115.58 116.09 1mjg h ASN 118 Ca 0.21 -0.27 -0.00 0.00 -0.00 0.00 0.00 56.30 56.23 1mjg h ASN 118 Cb 0.36 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 38.43 1mjg h ASN 118 CO 0.00 0.94 0.13 -0.74 -0.00 0.00 0.00 177.43 177.76 1mjg h HIS 119 N 0.80 0.32 -0.23 0.67 2.76 -0.58 -0.63 115.15 118.26 1mjg h HIS 119 Ca 0.16 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 1mjg h HIS 119 Cb 0.45 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1mjg h HIS 119 CO 0.03 0.27 -0.38 0.82 -1.30 0.00 0.00 177.93 177.36 1mjg h ILE 120 N 0.28 1.30 -0.62 6.26 2.04 -1.26 -1.09 117.51 124.41 1mjg h ILE 120 Ca 0.08 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1mjg h ILE 120 Cb 0.05 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1mjg h ILE 120 CO -0.01 0.48 0.24 0.00 0.00 0.00 0.00 178.15 178.86 1mjg h ALA 121 N 1.15 0.80 -0.57 1.87 0.00 -0.87 0.01 119.26 121.65 1mjg h ALA 121 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1mjg h ALA 121 Cb 0.87 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1mjg h ALA 121 CO 0.07 0.42 0.31 1.25 0.00 0.00 0.00 179.25 181.31 1mjg h HIS 122 N 0.86 0.77 -0.73 0.00 -0.00 -0.86 -2.55 115.15 112.64 1mjg h HIS 122 Ca 0.21 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1mjg h HIS 122 Cb 0.21 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 1mjg h HIS 122 CO 0.01 0.56 0.35 0.00 -0.00 0.00 0.00 177.93 178.85 1mjg h ALA 123 N 1.14 0.94 -0.62 5.26 0.00 -0.67 -1.32 119.26 124.01 1mjg h ALA 123 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1mjg h ALA 123 Cb 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1mjg h ALA 123 CO -0.03 0.51 0.38 1.25 0.00 0.00 0.00 179.25 181.36 1mjg h LEU 124 N 1.03 0.61 -0.27 0.00 5.85 -0.71 0.25 115.31 122.07 1mjg h LEU 124 Ca 0.25 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1mjg h LEU 124 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1mjg h LEU 124 CO -0.03 0.42 -0.09 0.58 -0.34 0.00 0.00 178.44 178.98 1mjg h VAL 125 N 0.74 1.29 -0.60 1.05 2.07 -1.22 -0.56 116.25 119.02 1mjg h VAL 125 Ca 0.25 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1mjg h VAL 125 Cb 0.03 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1mjg h VAL 125 CO -0.11 0.36 0.34 -0.33 0.02 0.00 0.00 177.57 177.86 1mjg h GLU 126 N 0.29 0.63 0.09 1.57 4.39 -0.94 -0.29 114.58 120.32 1mjg h GLU 126 Ca 0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1mjg h GLU 126 Cb 0.59 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1mjg h GLU 126 CO 0.03 0.42 -0.09 1.98 -1.16 0.00 0.00 179.01 180.19 1mjg h MET 127 N 0.65 -0.20 -0.01 2.33 4.05 -0.81 -0.18 114.93 120.76 1mjg h MET 127 Ca 0.26 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1mjg h MET 127 Cb 0.12 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1mjg h MET 127 CO -0.15 -0.13 0.01 0.00 0.23 0.00 0.00 176.91 176.87 1mjg h ALA 128 N 0.69 1.60 -0.48 0.39 0.00 -0.43 -0.96 119.26 120.07 1mjg h ALA 128 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 128 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mjg h ALA 128 CO -0.03 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.59 1mjg n GLU 129 N -3.93 2.74 -1.82 0.00 1.02 -0.18 -4.86 120.64 113.61 1mjg n GLU 129 Ca -0.03 -2.00 -0.11 0.00 -0.02 0.00 0.00 57.16 55.01 1mjg n GLU 129 Cb 0.09 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 1mjg n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 130 N 1.03 0.47 0.68 0.62 0.00 -0.37 -4.92 105.19 102.70 1mjg n GLY 130 Ca 0.18 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1mjg n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjg n LYS 131 N -2.30 1.94 -3.08 1.61 5.02 -0.13 -4.70 118.16 116.52 1mjg n LYS 131 Ca -0.12 -1.78 -0.20 0.00 -2.02 0.00 0.00 58.31 54.19 1mjg n LYS 131 Cb 0.49 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.16 1mjg n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mjg n ALA 132 N 0.77 1.49 0.24 7.82 0.00 -1.23 -4.21 120.51 125.39 1mjg n ALA 132 Ca 0.11 -2.92 0.17 0.00 0.00 0.00 0.00 53.44 50.81 1mjg n ALA 132 Cb 0.41 -0.94 0.77 0.00 0.00 0.00 0.00 19.45 19.70 1mjg n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mjg h PRO 133 N 3.95 0.00 0.00 0.00 0.13 -1.85 -1.54 132.00 132.69 1mjg h PRO 133 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1mjg h PRO 133 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1mjg h PRO 133 CO 0.43 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.95 1mjg n ASP 134 N -3.22 0.00 -4.61 1.44 8.00 -1.26 -4.81 116.55 112.09 1mjg n ASP 134 Ca 0.02 -0.25 -0.27 0.00 0.71 0.00 0.00 54.79 55.00 1mjg n ASP 134 Cb 0.49 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 1mjg n ASP 134 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1mjg s TYR 135 N -2.47 2.49 0.08 1.24 1.51 -0.58 -5.03 117.35 114.59 1mjg s TYR 135 Ca 0.30 -0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 55.49 1mjg s TYR 135 Cb 0.19 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.46 1mjg s TYR 135 CO 0.41 0.47 1.16 -1.54 -1.11 0.00 0.00 175.55 174.95 1mjg s SER 136 N -3.69 -0.02 -0.50 2.29 1.04 -1.26 -4.98 113.70 106.57 1mjg s SER 136 Ca 0.35 -0.40 -0.23 0.00 0.48 0.00 0.00 55.95 56.15 1mjg s SER 136 Cb 0.07 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1mjg s SER 136 CO 0.18 -0.62 0.81 -0.69 0.98 0.00 0.00 173.24 173.89 1mjg s VAL 137 N -2.24 4.60 -0.62 5.02 1.01 -1.26 -4.39 120.40 122.53 1mjg s VAL 137 Ca 0.23 0.17 0.23 0.00 0.00 0.00 0.00 61.98 62.61 1mjg s VAL 137 Cb -0.01 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 1mjg s VAL 137 CO 0.01 -0.88 1.11 0.29 0.00 0.00 0.00 175.10 175.63 1mjg n LYS 138 N 6.87 0.29 -3.58 2.72 5.02 -0.10 -4.64 118.16 124.74 1mjg n LYS 138 Ca 0.00 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 1mjg n LYS 138 Cb 0.47 -1.62 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 1mjg n LYS 138 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1mjg s ASP 139 N -4.01 2.95 0.30 4.39 3.68 -1.00 -4.71 116.67 118.26 1mjg s ASP 139 Ca 0.04 -2.88 -0.00 0.00 2.13 0.00 0.00 52.55 51.85 1mjg s ASP 139 Cb 0.14 -0.80 0.45 0.00 -1.45 0.00 0.00 42.92 41.26 1mjg s ASP 139 CO 0.78 -0.21 1.86 -0.33 0.13 0.00 0.00 175.17 177.39 1mjg h GLU 140 N 6.21 0.80 -0.69 4.34 5.08 -1.86 -2.03 114.58 126.43 1mjg h GLU 140 Ca 0.12 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1mjg h GLU 140 Cb 0.90 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1mjg h GLU 140 CO 0.44 0.70 0.30 0.00 -1.00 0.00 0.00 179.01 179.45 1mjg h ALA 141 N 1.40 0.89 -0.49 3.43 0.00 -1.99 -0.79 119.26 121.70 1mjg h ALA 141 Ca 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1mjg h ALA 141 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1mjg h ALA 141 CO -0.01 0.48 0.10 -0.22 0.00 0.00 0.00 179.25 179.61 1mjg h LYS 142 N 0.97 0.80 -0.07 0.00 1.63 -1.88 -0.84 116.57 117.17 1mjg h LYS 142 Ca 0.23 -0.20 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1mjg h LYS 142 Cb 0.16 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1mjg h LYS 142 CO -0.02 0.79 -0.07 1.25 -3.45 0.00 0.00 179.45 177.95 1mjg h LEU 143 N 0.68 -0.20 -1.14 5.20 5.85 -0.98 0.21 115.31 124.94 1mjg h LEU 143 Ca 0.15 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1mjg h LEU 143 Cb 0.36 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1mjg h LEU 143 CO 0.01 -0.09 -0.21 0.11 -0.34 0.00 0.00 178.44 177.91 1mjg h LYS 144 N -0.08 0.35 -0.32 1.25 1.57 -1.02 -0.69 116.57 117.62 1mjg h LYS 144 Ca 0.05 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1mjg h LYS 144 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1mjg h LYS 144 CO -0.12 0.55 -0.09 1.49 -0.57 0.00 0.00 179.45 180.71 1mjg h GLU 145 N 0.32 0.63 -0.60 3.15 4.57 -0.64 -1.31 114.58 120.69 1mjg h GLU 145 Ca 0.05 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 57.89 1mjg h GLU 145 Cb 0.55 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1mjg h GLU 145 CO 0.04 0.81 0.00 0.28 -1.18 0.00 0.00 179.01 178.96 1mjg h VAL 146 N 0.41 1.27 -0.45 0.32 2.07 -0.71 -1.17 116.25 117.98 1mjg h VAL 146 Ca 0.08 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1mjg h VAL 146 Cb 0.58 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1mjg h VAL 146 CO 0.03 0.42 0.29 0.00 0.02 0.00 0.00 177.57 178.33 1mjg h ARG 148 N 0.59 0.53 -0.48 0.00 2.43 -1.00 0.29 114.38 116.74 1mjg h ARG 148 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1mjg h ARG 148 Cb -0.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1mjg h ARG 148 CO -0.05 0.39 0.31 -0.09 -1.51 0.00 0.00 179.97 179.02 1mjg h ARG 149 N 0.52 0.64 -0.10 0.20 2.43 -0.77 -1.77 114.38 115.52 1mjg h ARG 149 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1mjg h ARG 149 Cb -0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1mjg h ARG 149 CO -0.03 0.43 0.00 0.28 -1.51 0.00 0.00 179.97 179.14 1mjg n VAL 150 N -4.46 0.11 -0.65 0.20 0.31 -0.58 -4.90 118.33 108.37 1mjg n VAL 150 Ca 0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1mjg n VAL 150 Cb 0.06 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1mjg n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mjg n GLY 151 N 1.14 0.65 3.71 2.92 0.00 -0.67 -5.04 105.19 107.90 1mjg n GLY 151 Ca 0.17 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1mjg n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 152 N -2.00 4.99 -0.18 -0.61 1.01 0.94 -5.00 121.20 120.34 1mjg s ILE 152 Ca 0.00 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 1mjg s ILE 152 Cb 0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1mjg s ILE 152 CO 0.00 0.20 1.36 -0.70 0.00 0.00 0.00 174.94 175.81 1mjg s GLU 153 N 0.99 4.11 0.01 2.79 -6.30 -1.26 -4.06 118.70 114.98 1mjg s GLU 153 Ca 0.41 1.65 -0.05 0.00 -2.50 0.00 0.00 54.97 54.48 1mjg s GLU 153 Cb -0.18 -3.85 -0.28 0.00 0.00 0.00 0.00 34.13 29.81 1mjg s GLU 153 CO 0.20 -0.88 0.88 0.28 0.02 0.00 0.00 175.26 175.76 1mjg h VAL 154 N 5.68 1.17 -2.18 3.70 2.07 -1.94 -3.47 116.25 121.28 1mjg h VAL 154 Ca -0.29 -2.79 -0.62 0.00 0.82 0.00 0.00 66.70 63.82 1mjg h VAL 154 Cb 1.12 2.79 0.07 0.00 -1.52 0.00 0.00 31.29 33.75 1mjg h VAL 154 CO 0.98 0.83 0.53 -0.62 0.02 0.00 0.00 177.57 179.32 1mjg n GLU 155 N -3.49 1.65 -1.63 1.57 1.02 -1.26 -2.99 120.64 115.52 1mjg n GLU 155 Ca -0.16 0.59 -0.08 0.00 -0.02 0.00 0.00 57.16 57.48 1mjg n GLU 155 Cb 1.05 -2.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1mjg n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 156 N 2.49 0.61 3.11 0.62 0.00 -1.26 -5.03 105.19 105.73 1mjg n GLY 156 Ca 0.15 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1mjg n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjg s LYS 157 N -3.42 1.01 0.74 1.61 1.02 -1.16 -5.14 119.74 114.40 1mjg s LYS 157 Ca 0.00 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 1mjg s LYS 157 Cb 0.00 -1.00 0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1mjg s LYS 157 CO 0.00 0.26 1.08 -1.54 -0.92 0.00 0.00 175.35 174.23 1mjg s SER 158 N -0.64 4.91 0.33 2.83 1.04 -1.26 -4.87 113.70 116.04 1mjg s SER 158 Ca 0.04 1.60 0.01 0.00 0.48 0.00 0.00 55.95 58.08 1mjg s SER 158 Cb -0.06 -2.40 0.59 0.00 0.10 0.00 0.00 66.02 64.24 1mjg s SER 158 CO 0.00 -1.74 1.99 -0.37 0.98 0.00 0.00 173.24 174.10 1mjg h VAL 159 N -0.93 1.15 -0.63 5.02 -1.51 -1.99 -2.13 116.25 115.24 1mjg h VAL 159 Ca -0.45 -0.32 -0.09 0.00 -1.23 0.00 0.00 66.70 64.62 1mjg h VAL 159 Cb 1.23 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1mjg h VAL 159 CO 0.56 0.17 0.06 -0.07 -1.23 0.00 0.00 177.57 177.05 1mjg h LEU 160 N 0.93 1.04 -0.92 4.19 3.38 -1.92 0.82 115.31 122.84 1mjg h LEU 160 Ca 0.27 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1mjg h LEU 160 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1mjg h LEU 160 CO -0.07 1.06 0.18 -0.33 0.09 0.00 0.00 178.44 179.37 1mjg h GLU 161 N 1.00 0.98 -0.35 1.13 5.08 -1.78 -0.84 114.58 119.79 1mjg h GLU 161 Ca 0.19 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1mjg h GLU 161 Cb 0.49 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1mjg h GLU 161 CO 0.02 0.85 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.71 1mjg h LEU 162 N 0.94 0.69 -0.86 1.33 3.38 -0.94 -0.78 115.31 119.07 1mjg h LEU 162 Ca 0.21 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1mjg h LEU 162 Cb 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1mjg h LEU 162 CO -0.01 0.90 0.56 0.00 0.09 0.00 0.00 178.44 179.99 1mjg h ALA 163 N 0.81 1.09 -0.47 1.53 0.00 -0.56 -0.30 119.26 121.35 1mjg h ALA 163 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1mjg h ALA 163 Cb 0.61 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 163 CO 0.04 0.50 -0.04 0.37 0.00 0.00 0.00 179.25 180.12 1mjg h GLN 164 N 1.16 0.86 -0.35 0.00 4.15 -0.99 -1.76 115.11 118.19 1mjg h GLN 164 Ca 0.31 -0.29 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1mjg h GLN 164 Cb -0.13 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1mjg h GLN 164 CO -0.07 0.93 -0.05 1.49 -1.93 0.00 0.00 178.83 179.20 1mjg h GLU 165 N 0.71 0.66 -0.24 1.69 4.81 -0.62 -1.63 114.58 119.96 1mjg h GLU 165 Ca 0.13 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 1mjg h GLU 165 Cb 0.56 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1mjg h GLU 165 CO 0.03 0.80 -0.41 -0.39 -0.73 0.00 0.00 179.01 178.31 1mjg h VAL 166 N 0.45 1.30 0.07 0.32 -1.51 -1.08 -1.55 116.25 114.25 1mjg h VAL 166 Ca 0.09 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 1mjg h VAL 166 Cb 0.54 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1mjg h VAL 166 CO 0.03 0.50 -0.08 1.23 -1.23 0.00 0.00 177.57 178.02 1mjg h GLY 167 N 1.05 -0.16 1.46 5.19 0.00 -1.22 -0.43 103.07 108.97 1mjg h GLY 167 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1mjg h GLY 167 CO 0.08 -0.09 0.20 0.83 0.00 0.00 0.00 176.54 177.57 1mjg h GLU 168 N -0.18 0.69 -0.65 4.80 5.08 -1.22 -0.09 114.58 123.01 1mjg h GLU 168 Ca 0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1mjg h GLU 168 Cb 0.18 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1mjg h GLU 168 CO -0.03 0.57 0.34 -0.22 -1.00 0.00 0.00 179.01 178.67 1mjg h LYS 169 N 0.69 0.92 -0.32 2.33 1.63 -0.70 -1.30 116.57 119.82 1mjg h LYS 169 Ca 0.17 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.79 1mjg h LYS 169 Cb 0.13 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1mjg h LYS 169 CO -0.02 0.71 -0.04 0.00 -3.45 0.00 0.00 179.45 176.66 1mjg h ALA 170 N 1.16 0.44 -0.51 5.00 0.00 -0.22 -2.66 119.26 122.47 1mjg h ALA 170 Ca 0.23 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 170 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1mjg h ALA 170 CO -0.03 0.23 0.35 -0.07 0.00 0.00 0.00 179.25 179.72 1mjg h LEU 171 N 0.38 0.27 -1.55 0.00 3.38 -0.66 0.21 115.31 117.33 1mjg h LEU 171 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1mjg h LEU 171 Cb 0.50 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1mjg h LEU 171 CO 0.02 0.16 0.11 -0.33 0.09 0.00 0.00 178.44 178.50 1mjg h GLU 172 N 0.30 0.40 0.00 1.13 5.08 -0.88 -1.38 114.58 119.23 1mjg h GLU 172 Ca 0.23 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1mjg h GLU 172 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1mjg h GLU 172 CO -0.05 0.34 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.63 1mjg h ASP 173 N 0.40 0.00 1.23 1.42 5.19 -0.56 -1.76 116.42 122.35 1mjg h ASP 173 Ca 0.10 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.41 1mjg h ASP 173 Cb 0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1mjg h ASP 173 CO -0.01 0.23 -0.81 -0.26 -3.12 0.00 0.00 179.24 175.27 1mjg h PHE 174 N 0.00 0.00 0.00 4.55 -1.00 -1.15 0.89 116.94 120.24 1mjg h PHE 174 Ca -0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.55 1mjg h PHE 174 Cb 0.64 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 1mjg h PHE 174 CO 0.00 0.39 -1.79 0.54 -1.61 0.00 0.00 178.31 175.84 1mjg n ARG 175 N -3.02 0.65 -1.61 1.51 1.74 -0.89 -3.45 116.66 111.58 1mjg n ARG 175 Ca -0.02 0.13 -0.47 0.00 -0.77 0.00 0.00 57.85 56.72 1mjg n ARG 175 Cb 0.72 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 1mjg n ARG 175 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1mjg n ARG 176 N -2.81 1.47 -2.98 5.56 0.63 -0.69 -4.91 116.66 112.94 1mjg n ARG 176 Ca -0.16 0.52 -0.19 0.00 -0.92 0.00 0.00 57.85 57.10 1mjg n ARG 176 Cb 0.93 -2.05 0.02 0.00 0.45 0.00 0.00 32.46 31.80 1mjg n ARG 176 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1mjg s LEU 177 N 0.44 3.60 0.21 6.15 1.43 -1.26 -2.70 118.68 126.55 1mjg s LEU 177 Ca 0.69 -0.19 -0.32 0.00 -1.03 0.00 0.00 54.13 53.28 1mjg s LEU 177 Cb -0.77 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 42.54 1mjg s LEU 177 CO 0.53 -0.81 1.55 1.17 0.23 0.00 0.00 176.35 179.02 1mjg n LYS 178 N -1.98 2.29 -0.67 1.70 4.81 -1.26 -1.41 118.16 121.64 1mjg n LYS 178 Ca 0.06 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1mjg n LYS 178 Cb 0.59 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1mjg n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mjg n GLY 179 N 2.93 1.58 0.80 3.14 0.00 -1.26 -4.90 105.19 107.49 1mjg n GLY 179 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1mjg n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mjg n GLU 180 N -2.00 2.05 0.00 1.61 1.02 -0.50 -5.06 120.64 117.77 1mjg n GLU 180 Ca 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 1mjg n GLU 180 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1mjg n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mjg n GLY 181 N 1.28 0.91 3.43 0.62 0.00 -1.26 -4.93 105.19 105.24 1mjg n GLY 181 Ca 0.17 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 1mjg n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjg s GLU 182 N -1.73 1.54 -0.04 1.61 2.02 -1.26 -4.21 118.70 116.63 1mjg s GLU 182 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 54.97 53.34 1mjg s GLU 182 Cb 0.00 -1.94 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 1mjg s GLU 182 CO 0.00 0.44 1.64 0.00 0.02 0.00 0.00 175.26 177.36 1mjg s ALA 183 N -1.26 3.62 0.11 5.21 0.00 -0.49 -4.91 121.76 124.03 1mjg s ALA 183 Ca 0.17 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1mjg s ALA 183 Cb -0.10 -3.73 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 1mjg s ALA 183 CO 0.08 -1.33 1.71 1.15 0.00 0.00 0.00 175.76 177.37 1mjg h THR 184 N 5.45 0.81 0.00 0.00 2.02 -1.91 -2.37 112.91 116.90 1mjg h THR 184 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1mjg h THR 184 Cb 1.18 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1mjg h THR 184 CO 0.95 0.00 0.00 0.79 0.37 0.00 0.00 175.52 177.63 1mjg n TRP 185 N -5.19 0.00 -0.09 3.16 8.01 -1.26 -1.48 117.44 120.59 1mjg n TRP 185 Ca -0.05 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.01 1mjg n TRP 185 Cb 0.12 -0.47 -0.06 0.00 -2.01 0.00 0.00 31.31 28.89 1mjg n TRP 185 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 1mjg n LEU 186 N -1.47 1.86 0.25 -0.99 7.94 -0.98 -4.05 117.00 119.55 1mjg n LEU 186 Ca 0.02 0.50 0.09 0.00 -1.11 0.00 0.00 56.01 55.51 1mjg n LEU 186 Cb 0.10 -0.88 0.63 0.00 0.53 0.00 0.00 43.42 43.80 1mjg n LEU 186 CO 0.08 -0.09 0.97 0.24 -1.11 0.00 0.00 177.39 177.48 1mjg h MET 187 N -1.00 0.00 -0.01 1.96 2.86 -1.29 -2.36 114.93 115.09 1mjg h MET 187 Ca -0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1mjg h MET 187 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1mjg h MET 187 CO -0.12 0.13 -0.16 0.25 1.06 0.00 0.00 176.91 178.07 1mjg n THR 188 N -4.09 0.00 0.07 2.22 -2.24 -0.55 -4.03 114.28 105.66 1mjg n THR 188 Ca -0.02 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1mjg n THR 188 Cb 0.21 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.98 1mjg n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mjg n THR 189 N -0.26 0.48 -4.52 4.28 -2.24 -0.90 -4.96 114.28 106.15 1mjg n THR 189 Ca 0.15 -0.74 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 1mjg n THR 189 Cb 0.36 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1mjg n THR 189 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1mjg s ILE 190 N -0.68 2.12 0.84 2.28 -4.36 -1.13 -4.85 121.20 115.42 1mjg s ILE 190 Ca 0.08 -2.19 -0.13 0.00 -0.26 0.00 0.00 60.65 58.15 1mjg s ILE 190 Cb 0.04 -2.61 0.11 0.00 1.25 0.00 0.00 42.46 41.25 1mjg s ILE 190 CO 0.06 -0.22 1.20 0.54 0.24 0.00 0.00 174.94 176.77 1mjg s ASN 191 N -3.58 4.18 0.26 4.36 4.22 -1.26 -4.88 114.94 118.24 1mjg s ASN 191 Ca 0.32 0.63 -0.05 0.00 -2.14 0.00 0.00 52.86 51.62 1mjg s ASN 191 Cb 0.03 -1.02 0.30 0.00 1.28 0.00 0.00 41.25 41.84 1mjg s ASN 191 CO 0.16 -2.09 1.92 -0.33 -2.04 0.00 0.00 177.10 174.71 1mjg h GLU 192 N -1.17 1.24 -0.20 3.55 4.39 -1.98 -2.31 114.58 118.10 1mjg h GLU 192 Ca -0.45 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.19 1mjg h GLU 192 Cb 1.31 -0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 1mjg h GLU 192 CO 0.59 0.85 -0.09 0.78 -1.16 0.00 0.00 179.01 179.97 1mjg h GLY 193 N 1.27 0.09 1.45 -3.84 0.00 -1.94 -0.40 103.07 99.69 1mjg h GLY 193 Ca 0.33 0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.69 1mjg h GLY 193 CO -0.07 -0.11 -0.15 3.21 0.00 0.00 0.00 176.54 179.43 1mjg h ARG 194 N -0.06 0.65 -0.43 4.80 2.47 -1.90 -1.22 114.38 118.70 1mjg h ARG 194 Ca 0.11 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 1mjg h ARG 194 Cb 0.22 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1mjg h ARG 194 CO -0.24 0.77 0.16 0.87 0.56 0.00 0.00 179.97 182.09 1mjg h LYS 195 N 0.59 0.65 -0.42 0.04 1.57 -0.98 -0.37 116.57 117.65 1mjg h LYS 195 Ca 0.10 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1mjg h LYS 195 Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1mjg h LYS 195 CO 0.04 0.61 0.20 0.93 -0.57 0.00 0.00 179.45 180.66 1mjg h GLU 196 N 0.55 0.60 0.27 3.15 4.39 -0.91 -1.60 114.58 121.02 1mjg h GLU 196 Ca 0.14 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1mjg h GLU 196 Cb 0.21 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1mjg h GLU 196 CO -0.01 0.52 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.96 1mjg h LYS 197 N 0.54 -0.42 -0.25 2.33 1.63 -0.99 -1.21 116.57 118.20 1mjg h LYS 197 Ca 0.14 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1mjg h LYS 197 Cb 0.11 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1mjg h LYS 197 CO -0.02 -0.28 -0.04 0.74 -3.45 0.00 0.00 179.45 176.41 1mjg h PHE 198 N -0.43 0.40 -0.03 1.91 0.05 -1.01 -1.47 116.94 116.36 1mjg h PHE 198 Ca -0.02 -0.04 -0.09 0.00 3.82 0.00 0.00 57.97 61.64 1mjg h PHE 198 Cb 0.37 -0.12 0.01 0.00 2.00 0.00 0.00 35.95 38.21 1mjg h PHE 198 CO -0.10 0.43 -0.34 0.00 -0.18 0.00 0.00 178.31 178.13 1mjg h ARG 199 N 0.37 0.28 0.00 1.51 3.08 -1.12 -0.98 114.38 117.53 1mjg h ARG 199 Ca 0.08 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1mjg h ARG 199 Cb 0.31 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1mjg h ARG 199 CO 0.01 0.94 -0.26 1.79 -1.07 0.00 0.00 179.97 181.38 1mjg h THR 200 N -0.28 1.05 -0.02 2.04 1.35 -1.14 -2.44 112.91 113.46 1mjg h THR 200 Ca -0.03 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1mjg h THR 200 Cb 1.03 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1mjg h THR 200 CO 0.07 0.25 -0.03 1.41 -0.25 0.00 0.00 175.52 176.97 1mjg n HIS 201 N -4.04 0.00 -3.75 4.73 8.25 -0.56 -4.98 115.22 114.87 1mjg n HIS 201 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 1mjg n HIS 201 Cb 0.32 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.45 1mjg n HIS 201 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1mjg n ASN 202 N 0.53 -1.55 -0.02 0.41 5.15 -0.52 -4.90 115.26 114.36 1mjg n ASN 202 Ca 0.17 -0.83 0.02 0.00 -0.60 0.00 0.00 54.58 53.33 1mjg n ASN 202 Cb 0.44 -3.94 0.02 0.00 -0.53 0.00 0.00 39.78 35.78 1mjg n ASN 202 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1mjg n VAL 203 N -4.34 1.12 -2.10 3.44 0.24 -0.49 -4.99 118.33 111.22 1mjg n VAL 203 Ca -0.26 -1.18 -0.42 0.00 -2.04 0.00 0.00 64.34 60.43 1mjg n VAL 203 Cb 0.66 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.39 1mjg n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1mjg s VAL 204 N -1.29 3.65 0.29 3.34 1.01 -1.23 -4.21 120.40 121.95 1mjg s VAL 204 Ca 0.06 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 1mjg s VAL 204 Cb 0.05 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1mjg s VAL 204 CO 0.01 -0.06 1.25 -2.16 0.00 0.00 0.00 175.10 174.14 1mjg s PRO 205 N 3.52 4.44 -0.10 2.72 0.04 -1.26 -4.90 135.00 139.47 1mjg s PRO 205 Ca 0.69 2.07 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1mjg s PRO 205 Cb -0.32 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1mjg s PRO 205 CO 0.27 -0.10 -0.03 0.27 0.04 0.00 0.00 177.00 177.45 1mjg h PHE 206 N 3.95 0.00 -3.65 0.56 -0.00 -1.89 -1.31 116.94 114.60 1mjg h PHE 206 Ca -0.47 0.00 -0.41 0.00 -0.00 0.00 0.00 57.97 57.09 1mjg h PHE 206 Cb 1.22 0.00 -0.19 0.00 -0.00 0.00 0.00 35.95 36.98 1mjg h PHE 206 CO 0.58 0.00 -0.76 0.20 -0.00 0.00 0.00 178.31 178.33 1mjg s GLY 207 N -3.53 1.03 -0.02 6.09 0.00 -1.10 -3.51 107.32 106.29 1mjg s GLY 207 Ca -0.03 -1.24 -0.21 0.00 0.00 0.00 0.00 44.72 43.24 1mjg s GLY 207 CO 0.04 -1.30 0.92 -2.22 0.00 0.00 0.00 173.10 170.54 1mjg h ILE 208 N 3.64 0.47 -0.82 0.90 2.04 -0.97 -1.52 117.51 121.26 1mjg h ILE 208 Ca -0.40 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1mjg h ILE 208 Cb 1.19 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1mjg h ILE 208 CO 0.49 0.10 0.45 0.45 0.00 0.00 0.00 178.15 179.65 1mjg h HIS 209 N -0.96 1.12 -0.09 1.37 3.86 -1.82 -2.22 115.15 116.41 1mjg h HIS 209 Ca -0.05 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 1mjg h HIS 209 Cb 0.51 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1mjg h HIS 209 CO 0.04 0.78 -0.30 0.00 0.86 0.00 0.00 177.93 179.30 1mjg h ALA 210 N 1.24 1.33 -0.38 2.45 0.00 -1.79 -0.76 119.26 121.35 1mjg h ALA 210 Ca 0.29 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1mjg h ALA 210 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mjg h ALA 210 CO -0.05 0.47 -0.19 0.77 0.00 0.00 0.00 179.25 180.25 1mjg h SER 211 N 0.15 0.83 -0.08 0.00 0.02 -0.90 -1.18 113.55 112.39 1mjg h SER 211 Ca 0.02 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1mjg h SER 211 Cb 0.61 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1mjg h SER 211 CO 0.04 1.05 0.04 0.40 -1.14 0.00 0.00 176.83 177.23 1mjg h ILE 212 N 0.61 1.12 -0.92 3.27 2.04 -1.10 -2.98 117.51 119.53 1mjg h ILE 212 Ca 0.08 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1mjg h ILE 212 Cb 0.74 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1mjg h ILE 212 CO 0.06 0.10 0.60 -1.28 0.00 0.00 0.00 178.15 177.63 1mjg h SER 213 N 0.01 1.07 -0.87 1.72 0.87 -1.09 -2.47 113.55 112.79 1mjg h SER 213 Ca 0.03 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1mjg h SER 213 Cb 0.13 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1mjg h SER 213 CO -0.00 0.79 0.56 -0.08 -0.53 0.00 0.00 176.83 177.56 1mjg h GLU 214 N 1.26 1.16 -0.18 2.24 4.57 -1.07 -0.04 114.58 122.53 1mjg h GLU 214 Ca 0.34 -0.08 -0.20 0.00 -1.18 0.00 0.00 59.36 58.23 1mjg h GLU 214 Cb -0.12 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.22 1mjg h GLU 214 CO -0.07 0.79 -0.69 1.25 -1.18 0.00 0.00 179.01 179.11 1mjg h LEU 215 N 1.19 0.83 -0.70 1.64 5.85 -1.35 -0.80 115.31 121.98 1mjg h LEU 215 Ca 0.32 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1mjg h LEU 215 Cb -0.10 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 1mjg h LEU 215 CO -0.07 1.29 0.43 0.58 -0.34 0.00 0.00 178.44 180.33 1mjg h VAL 216 N 0.51 1.06 -0.59 1.05 2.07 -1.04 -0.91 116.25 118.41 1mjg h VAL 216 Ca -0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1mjg h VAL 216 Cb 1.30 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1mjg h VAL 216 CO 0.14 0.15 0.29 -1.13 0.02 0.00 0.00 177.57 177.04 1mjg h ASN 217 N 0.82 0.76 0.38 0.57 -0.73 -0.85 -2.52 115.58 114.01 1mjg h ASN 217 Ca 0.29 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 1mjg h ASN 217 Cb 0.07 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.46 1mjg h ASN 217 CO -0.13 0.67 -0.07 1.56 -0.37 0.00 0.00 177.43 179.09 1mjg h GLN 218 N 0.80 0.00 0.00 6.67 4.20 -0.14 -2.46 115.11 124.17 1mjg h GLN 218 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1mjg h GLN 218 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1mjg h GLN 218 CO -0.03 0.07 -0.37 0.00 -0.67 0.00 0.00 178.83 177.84 1mjg h ALA 219 N 1.93 0.76 -2.97 3.87 0.00 -0.76 -3.15 119.26 118.93 1mjg h ALA 219 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1mjg h ALA 219 Cb 0.28 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.23 1mjg h ALA 219 CO 0.01 0.00 0.41 1.58 0.00 0.00 0.00 179.25 181.25 1mjg n HIS 220 N -2.22 1.69 -1.60 0.00 -0.00 -0.93 -4.87 115.22 107.28 1mjg n HIS 220 Ca 0.04 0.43 -0.48 0.00 -0.00 0.00 0.00 57.72 57.71 1mjg n HIS 220 Cb 0.44 -2.26 -0.04 0.00 -0.00 0.00 0.00 29.99 28.14 1mjg n HIS 220 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1mjg n MET 221 N -1.29 1.35 -1.98 1.57 0.00 -1.26 -2.23 117.12 113.27 1mjg n MET 221 Ca 0.13 0.48 -0.10 0.00 -0.00 0.00 0.00 57.70 58.22 1mjg n MET 221 Cb 0.46 -2.02 -0.01 0.00 0.00 0.00 0.00 33.22 31.65 1mjg n MET 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1mjg n GLY 222 N 2.10 0.23 0.00 -5.12 0.00 -1.26 -5.00 105.19 96.15 1mjg n GLY 222 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1mjg n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mjg n MET 223 N -2.11 0.00 -2.76 1.61 2.00 -0.95 -5.06 117.12 109.85 1mjg n MET 223 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.20 1mjg n MET 223 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.69 1mjg n MET 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1mjg s ASP 224 N -0.57 7.48 -0.01 7.83 3.68 -1.19 -4.94 116.67 128.95 1mjg s ASP 224 Ca 0.00 1.90 0.01 0.00 2.13 0.00 0.00 52.55 56.59 1mjg s ASP 224 Cb 0.00 -2.59 0.01 0.00 -1.45 0.00 0.00 42.92 38.89 1mjg s ASP 224 CO 0.00 0.03 0.71 -3.20 0.13 0.00 0.00 175.17 172.84 1mjg n ASN 225 N 1.00 0.45 -4.55 -0.34 4.05 -1.26 -4.98 115.26 109.62 1mjg n ASN 225 Ca 0.00 -1.45 -0.41 0.00 0.45 0.00 0.00 54.58 53.17 1mjg n ASN 225 Cb 0.49 -0.06 -0.09 0.00 1.23 0.00 0.00 39.78 41.35 1mjg n ASN 225 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1mjg s ASP 226 N -0.49 6.22 0.22 1.20 -1.08 -1.26 -4.83 116.67 116.64 1mjg s ASP 226 Ca 0.02 -0.12 -0.08 0.00 -0.52 0.00 0.00 52.55 51.85 1mjg s ASP 226 Cb 0.01 -2.21 0.28 0.00 -1.46 0.00 0.00 42.92 39.54 1mjg s ASP 226 CO 0.00 -0.35 1.82 1.55 0.52 0.00 0.00 175.17 178.71 1mjg h PRO 227 N 8.43 0.75 -0.42 4.34 0.13 -1.96 -1.10 132.00 142.17 1mjg h PRO 227 Ca -0.30 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.65 1mjg h PRO 227 Cb 1.14 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1mjg h PRO 227 CO 0.70 0.50 -0.30 0.28 -0.23 0.00 0.00 178.00 178.95 1mjg h VAL 228 N 0.77 1.27 -0.75 1.56 2.07 -1.99 -1.53 116.25 117.66 1mjg h VAL 228 Ca 0.33 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 1mjg h VAL 228 Cb 0.19 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1mjg h VAL 228 CO -0.18 0.50 0.29 -1.13 0.02 0.00 0.00 177.57 177.07 1mjg h ASN 229 N 0.77 1.04 -0.29 0.57 -1.24 -1.92 -0.88 115.58 113.63 1mjg h ASN 229 Ca 0.08 -0.18 -0.08 0.00 0.71 0.00 0.00 56.30 56.83 1mjg h ASN 229 Cb 0.89 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 1mjg h ASN 229 CO 0.08 0.94 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.94 1mjg h LEU 230 N 1.09 0.63 -0.52 0.34 3.38 -1.10 -2.22 115.31 116.91 1mjg h LEU 230 Ca 0.25 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1mjg h LEU 230 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1mjg h LEU 230 CO -0.02 0.91 0.18 0.58 0.09 0.00 0.00 178.44 180.18 1mjg h VAL 231 N 0.36 1.23 -0.37 1.22 2.07 -1.13 -1.52 116.25 118.10 1mjg h VAL 231 Ca 0.06 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1mjg h VAL 231 Cb 0.67 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1mjg h VAL 231 CO 0.04 0.28 0.11 -0.26 0.02 0.00 0.00 177.57 177.76 1mjg h PHE 232 N 0.71 0.53 -0.15 1.57 -1.00 -1.14 0.19 116.94 117.66 1mjg h PHE 232 Ca 0.17 -0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.77 1mjg h PHE 232 Cb 0.25 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1mjg h PHE 232 CO 0.01 0.44 -0.56 1.03 -1.61 0.00 0.00 178.31 177.63 1mjg h SER 233 N 0.52 0.50 -0.14 2.17 0.87 -0.99 -1.00 113.55 115.47 1mjg h SER 233 Ca 0.13 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1mjg h SER 233 Cb 0.17 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1mjg h SER 233 CO -0.01 0.95 -0.20 0.00 -0.53 0.00 0.00 176.83 177.05 1mjg h ALA 234 N 1.06 1.09 -0.44 6.23 0.00 -0.31 -1.93 119.26 124.96 1mjg h ALA 234 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1mjg h ALA 234 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1mjg h ALA 234 CO 0.10 0.56 -0.20 0.82 0.00 0.00 0.00 179.25 180.52 1mjg h ILE 235 N 0.50 1.27 -0.63 0.00 2.04 -0.65 -0.62 117.51 119.42 1mjg h ILE 235 Ca 0.08 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 1mjg h ILE 235 Cb 0.62 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1mjg h ILE 235 CO 0.04 0.45 0.16 -0.09 0.00 0.00 0.00 178.15 178.72 1mjg h ARG 236 N 0.76 0.98 -0.49 2.37 2.43 -0.77 0.29 114.38 119.95 1mjg h ARG 236 Ca 0.11 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1mjg h ARG 236 Cb 0.74 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1mjg h ARG 236 CO 0.06 0.87 -0.16 0.28 -1.51 0.00 0.00 179.97 179.51 1mjg h VAL 237 N 0.94 1.27 -0.73 0.20 2.07 -1.10 -1.10 116.25 117.80 1mjg h VAL 237 Ca 0.20 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1mjg h VAL 237 Cb 0.33 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1mjg h VAL 237 CO -0.00 0.45 0.31 0.00 0.02 0.00 0.00 177.57 178.35 1mjg h ALA 238 N 0.97 0.94 0.00 1.67 0.00 -0.51 -0.23 119.26 122.10 1mjg h ALA 238 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1mjg h ALA 238 Cb 0.71 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1mjg h ALA 238 CO 0.05 0.55 -0.30 -0.07 0.00 0.00 0.00 179.25 179.48 1mjg h LEU 239 N 1.03 0.00 -0.45 0.00 3.38 -0.70 -0.64 115.31 117.94 1mjg h LEU 239 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 1mjg h LEU 239 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1mjg h LEU 239 CO -0.02 0.30 -0.53 0.00 0.09 0.00 0.00 178.44 178.27 1mjg h ALA 240 N 1.70 0.63 0.21 1.53 0.00 -0.21 -1.54 119.26 121.59 1mjg h ALA 240 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1mjg h ALA 240 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mjg h ALA 240 CO 0.04 0.68 -0.12 0.22 0.00 0.00 0.00 179.25 180.07 1mjg h ASP 241 N 0.53 -0.31 -0.95 0.00 3.58 -0.25 -1.47 116.42 117.55 1mjg h ASP 241 Ca 0.01 0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.59 1mjg h ASP 241 Cb 1.10 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 42.16 1mjg h ASP 241 CO 0.11 -0.20 0.58 0.22 -2.88 0.00 0.00 179.24 177.07 1mjg h TYR 242 N -0.32 1.06 0.10 0.28 3.20 -1.01 -0.72 116.97 119.55 1mjg h TYR 242 Ca -0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1mjg h TYR 242 Cb 0.26 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1mjg h TYR 242 CO -0.08 0.43 -0.07 1.15 -1.64 0.00 0.00 178.16 177.96 1mjg h THR 243 N 0.95 0.85 -0.75 1.81 2.02 -0.81 -1.14 112.91 115.85 1mjg h THR 243 Ca 0.46 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.64 1mjg h THR 243 Cb 0.42 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1mjg h THR 243 CO -0.25 0.00 0.45 1.23 0.37 0.00 0.00 175.52 177.31 1mjg h GLY 244 N -0.17 1.08 0.96 2.16 0.00 -0.68 -1.78 103.07 104.64 1mjg h GLY 244 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1mjg h GLY 244 CO 0.00 0.43 0.18 0.83 0.00 0.00 0.00 176.54 177.98 1mjg h GLU 245 N 1.03 0.45 -0.29 4.80 5.08 -0.69 -0.24 114.58 124.72 1mjg h GLU 245 Ca 0.27 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1mjg h GLU 245 Cb -0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1mjg h GLU 245 CO -0.05 0.39 -0.04 1.25 -1.00 0.00 0.00 179.01 179.56 1mjg h HIS 246 N 0.40 0.48 -0.28 4.33 2.76 -0.84 -0.47 115.15 121.54 1mjg h HIS 246 Ca 0.11 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1mjg h HIS 246 Cb 0.07 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1mjg h HIS 246 CO -0.03 0.50 -0.04 0.82 -1.30 0.00 0.00 177.93 177.89 1mjg h ILE 247 N 0.44 1.27 -0.37 6.26 2.04 -0.89 -1.28 117.51 124.97 1mjg h ILE 247 Ca 0.09 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.95 1mjg h ILE 247 Cb 0.35 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1mjg h ILE 247 CO 0.01 0.32 0.22 0.00 0.00 0.00 0.00 178.15 178.71 1mjg h ALA 248 N 0.80 0.47 -0.11 1.87 0.00 -0.31 -1.61 119.26 120.37 1mjg h ALA 248 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 248 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mjg h ALA 248 CO 0.02 -0.12 0.04 1.15 0.00 0.00 0.00 179.25 180.34 1mjg h THR 249 N 0.45 1.16 0.01 0.00 2.02 -1.05 -0.59 112.91 114.91 1mjg h THR 249 Ca 0.15 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1mjg h THR 249 Cb 0.00 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1mjg h THR 249 CO -0.07 0.14 -0.19 0.44 0.37 0.00 0.00 175.52 176.22 1mjg h ASP 250 N -0.00 -0.55 0.61 4.18 3.32 -1.10 -1.40 116.42 121.48 1mjg h ASP 250 Ca 0.03 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1mjg h ASP 250 Cb 0.20 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1mjg h ASP 250 CO -0.00 -0.25 -0.35 -0.26 -1.72 0.00 0.00 179.24 176.65 1mjg h PHE 251 N -0.31 0.00 -0.27 4.55 0.04 -1.29 -1.49 116.94 118.16 1mjg h PHE 251 Ca 0.05 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.64 1mjg h PHE 251 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1mjg h PHE 251 CO -0.23 0.35 -0.56 0.77 -0.60 0.00 0.00 178.31 178.04 1mjg h SER 252 N 0.00 0.94 -0.40 2.17 0.02 -0.81 -0.41 113.55 115.05 1mjg h SER 252 Ca -0.00 -0.51 -0.12 0.00 -0.84 0.00 0.00 61.79 60.31 1mjg h SER 252 Cb 0.75 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1mjg h SER 252 CO 0.05 1.31 -0.19 0.44 -1.14 0.00 0.00 176.83 177.29 1mjg h ASP 253 N 0.64 0.91 -0.53 3.07 3.32 -1.03 0.13 116.42 122.94 1mjg h ASP 253 Ca 0.01 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.66 1mjg h ASP 253 Cb 1.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1mjg h ASP 253 CO 0.12 1.08 0.04 0.40 -1.72 0.00 0.00 179.24 179.16 1mjg h ILE 254 N 0.78 1.26 0.10 0.35 2.04 -1.12 0.47 117.51 121.38 1mjg h ILE 254 Ca 0.11 -1.02 -0.26 0.00 1.00 0.00 0.00 64.86 64.69 1mjg h ILE 254 Cb 0.74 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1mjg h ILE 254 CO 0.06 0.37 -1.19 -0.07 0.00 0.00 0.00 178.15 177.31 1mjg h LEU 255 N 0.78 0.33 -0.95 1.44 3.38 -0.99 -0.14 115.31 119.16 1mjg h LEU 255 Ca 0.15 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1mjg h LEU 255 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1mjg h LEU 255 CO 0.02 1.28 -0.00 0.49 0.09 0.00 0.00 178.44 180.32 1mjg n PHE 256 N -3.49 0.00 0.00 1.13 3.01 0.44 -3.89 117.46 114.66 1mjg n PHE 256 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1mjg n PHE 256 Cb 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 1mjg n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mjg n GLY 257 N 0.10 1.86 3.70 1.37 0.00 0.16 -4.97 105.19 107.41 1mjg n GLY 257 Ca 0.00 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1mjg n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mjg s THR 258 N -1.49 4.45 0.36 2.61 2.01 -1.23 -4.47 115.64 117.88 1mjg s THR 258 Ca 0.00 1.76 -0.26 0.00 0.31 0.00 0.00 61.69 63.50 1mjg s THR 258 Cb 0.00 -4.13 -0.12 0.00 0.01 0.00 0.00 72.50 68.26 1mjg s THR 258 CO 0.00 0.07 1.03 -2.65 -0.69 0.00 0.00 174.62 172.39 1mjg n PRO 259 N 4.48 1.44 -4.23 4.92 -0.02 -1.26 -5.03 135.00 135.31 1mjg n PRO 259 Ca 0.09 0.51 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 1mjg n PRO 259 Cb 0.48 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 1mjg n PRO 259 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1mjg s GLN 260 N -1.79 0.98 0.10 -0.52 -0.21 -1.11 -4.10 119.66 113.01 1mjg s GLN 260 Ca 0.60 -1.23 -0.36 0.00 0.02 0.00 0.00 55.36 54.40 1mjg s GLN 260 Cb -0.62 -0.81 -0.17 0.00 1.00 0.00 0.00 33.01 32.42 1mjg s GLN 260 CO 0.59 0.15 1.29 -2.30 -2.12 0.00 0.00 175.29 172.90 1mjg n PRO 261 N 0.52 1.12 -3.88 2.91 -0.02 -1.15 -4.28 135.00 130.21 1mjg n PRO 261 Ca -0.15 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 1mjg n PRO 261 Cb 0.57 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.95 1mjg n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mjg s VAL 262 N 0.32 0.11 -0.06 -1.45 0.11 0.24 -4.95 120.40 114.71 1mjg s VAL 262 Ca 0.82 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1mjg s VAL 262 Cb -0.94 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1mjg s VAL 262 CO 0.48 -0.49 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.04 1mjg s VAL 263 N -2.22 3.98 0.00 2.04 1.01 -1.26 -1.05 120.40 122.90 1mjg s VAL 263 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1mjg s VAL 263 Cb -0.03 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1mjg s VAL 263 CO -0.02 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.40 1mjg n SER 264 N 2.06 0.00 -4.16 3.32 2.88 0.42 -4.87 113.62 113.27 1mjg n SER 264 Ca -0.18 -0.13 -0.10 0.00 -1.33 0.00 0.00 58.87 57.13 1mjg n SER 264 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1mjg n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1mjg s GLU 265 N 0.61 0.85 0.04 -1.46 2.02 -1.26 0.04 118.70 119.54 1mjg s GLU 265 Ca 0.00 -1.36 -0.05 0.00 0.02 0.00 0.00 54.97 53.58 1mjg s GLU 265 Cb 0.00 -0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.14 1mjg s GLU 265 CO 0.00 -0.09 0.08 0.00 0.02 0.00 0.00 175.26 175.27 1mjg s ALA 266 N -3.75 -0.01 0.00 5.21 0.00 -0.59 -1.99 121.76 120.64 1mjg s ALA 266 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1mjg s ALA 266 Cb 0.06 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1mjg s ALA 266 CO -0.03 -0.32 0.00 -1.71 0.00 0.00 0.00 175.76 173.70 1mjg n ASN 267 N 0.75 0.00 -0.02 0.00 2.85 0.10 -1.58 115.26 117.37 1mjg n ASN 267 Ca -0.19 0.00 0.23 0.00 -0.11 0.00 0.00 54.58 54.51 1mjg n ASN 267 Cb 0.59 0.00 0.62 0.00 1.24 0.00 0.00 39.78 42.23 1mjg n ASN 267 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1mjg h MET 268 N 0.00 0.00 0.00 1.20 2.86 -1.11 -1.97 114.93 115.91 1mjg h MET 268 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1mjg h MET 268 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1mjg h MET 268 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1mjg n GLY 269 N -1.57 -0.83 0.00 8.32 0.00 0.98 -1.70 105.19 110.39 1mjg n GLY 269 Ca 0.13 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1mjg n GLY 269 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mjg n VAL 270 N -2.10 0.47 -2.66 1.61 0.24 -0.74 -4.78 118.33 110.37 1mjg n VAL 270 Ca -0.01 0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 62.05 1mjg n VAL 270 Cb 0.04 -0.75 -0.05 0.00 -1.47 0.00 0.00 33.84 31.61 1mjg n VAL 270 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1mjg s LEU 271 N -2.86 4.12 -0.18 1.34 1.43 -0.69 -5.05 118.68 116.80 1mjg s LEU 271 Ca 0.14 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1mjg s LEU 271 Cb 0.14 -4.25 0.04 0.00 0.03 0.00 0.00 46.19 42.16 1mjg s LEU 271 CO 0.37 -0.38 -0.05 -0.62 0.23 0.00 0.00 176.35 175.89 1mjg s ASP 272 N -1.74 2.98 0.60 2.29 -1.08 -1.26 -5.02 116.67 113.44 1mjg s ASP 272 Ca 0.58 -0.74 0.30 0.00 -0.52 0.00 0.00 52.55 52.17 1mjg s ASP 272 Cb -0.18 -0.96 1.68 0.00 -1.46 0.00 0.00 42.92 42.01 1mjg s ASP 272 CO 0.23 -0.19 2.08 1.55 0.52 0.00 0.00 175.17 179.36 1mjg h PRO 273 N 8.09 0.00 -0.54 4.34 0.13 -1.97 -1.81 132.00 140.26 1mjg h PRO 273 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1mjg h PRO 273 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1mjg h PRO 273 CO 0.41 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1mjg n ASP 274 N -3.68 3.42 -4.67 1.44 8.00 -1.26 -4.93 116.55 114.87 1mjg n ASP 274 Ca 0.02 -1.98 -0.29 0.00 0.71 0.00 0.00 54.79 53.25 1mjg n ASP 274 Cb 0.35 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1mjg n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mjg s GLN 275 N -1.29 2.04 -0.53 -1.24 -0.21 -0.68 -0.89 119.66 116.86 1mjg s GLN 275 Ca 0.42 -2.14 -0.24 0.00 0.02 0.00 0.00 55.36 53.42 1mjg s GLN 275 Cb 0.23 -1.66 0.04 0.00 1.00 0.00 0.00 33.01 32.62 1mjg s GLN 275 CO 0.31 -0.13 0.90 0.08 -2.12 0.00 0.00 175.29 174.33 1mjg s VAL 276 N -2.73 4.46 -0.57 1.09 1.01 -0.12 -4.88 120.40 118.65 1mjg s VAL 276 Ca 0.30 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 1mjg s VAL 276 Cb 0.07 -4.49 0.04 0.00 0.00 0.00 0.00 36.38 32.00 1mjg s VAL 276 CO 0.15 -1.03 1.01 0.20 0.00 0.00 0.00 175.10 175.43 1mjg s ASN 277 N 2.72 6.35 -0.31 3.32 0.01 -1.26 -0.42 114.94 125.35 1mjg s ASN 277 Ca 0.30 -0.27 -0.08 0.00 -0.71 0.00 0.00 52.86 52.09 1mjg s ASN 277 Cb -0.13 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1mjg s ASN 277 CO 0.19 -1.31 0.11 0.12 -1.51 0.00 0.00 177.10 174.71 1mjg s PHE 278 N 4.23 3.17 -0.15 2.20 5.36 -0.81 -1.51 117.98 130.47 1mjg s PHE 278 Ca 0.33 -0.91 -0.17 0.00 -0.96 0.00 0.00 56.93 55.22 1mjg s PHE 278 Cb -0.11 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1mjg s PHE 278 CO 0.20 -0.57 0.43 0.08 -1.46 0.00 0.00 175.22 173.91 1mjg s VAL 279 N 1.53 5.20 -0.38 3.12 1.01 0.97 -1.43 120.40 130.42 1mjg s VAL 279 Ca 0.03 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.69 1mjg s VAL 279 Cb -0.18 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1mjg s VAL 279 CO 0.04 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 174.96 1mjg s LEU 280 N 0.87 4.87 0.05 3.92 1.43 0.15 -1.01 118.68 128.96 1mjg s LEU 280 Ca 0.22 -0.70 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1mjg s LEU 280 Cb -0.15 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1mjg s LEU 280 CO 0.08 -0.37 -0.16 -2.28 0.23 0.00 0.00 176.35 173.85 1mjg s HIS 281 N 1.71 1.42 0.00 0.29 2.46 -0.80 -0.99 115.29 119.38 1mjg s HIS 281 Ca 0.06 -0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.21 1mjg s HIS 281 Cb -0.18 -0.83 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 1mjg s HIS 281 CO 0.10 0.07 0.00 0.41 -2.47 0.00 0.00 174.74 172.85 1mjg n GLY 282 N 1.77 0.25 0.00 1.59 0.00 -1.26 -2.82 105.19 104.72 1mjg n GLY 282 Ca -0.18 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1mjg n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mjg n HIS 283 N 0.00 0.00 -2.98 1.61 8.25 -1.14 -1.70 115.22 119.26 1mjg n HIS 283 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1mjg n HIS 283 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1mjg n HIS 283 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1mjg s ASN 284 N -2.34 6.69 0.00 0.41 3.84 -1.26 -4.00 114.94 118.27 1mjg s ASN 284 Ca 0.00 0.80 0.16 0.00 0.21 0.00 0.00 52.86 54.02 1mjg s ASN 284 Cb 0.00 -2.39 0.78 0.00 -0.55 0.00 0.00 41.25 39.09 1mjg s ASN 284 CO 0.00 -0.50 1.47 -0.81 -2.79 0.00 0.00 177.10 174.47 1mjg n PRO 285 N 5.97 0.18 0.29 0.43 -0.04 -1.26 -2.73 135.00 137.85 1mjg n PRO 285 Ca 0.03 0.15 0.15 0.00 -0.04 0.00 0.00 63.50 63.79 1mjg n PRO 285 Cb 0.48 -1.50 0.90 0.00 -0.04 0.00 0.00 33.50 33.34 1mjg n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1mjg h LEU 286 N 0.00 0.00 0.00 1.53 3.38 -2.00 -0.87 115.31 117.35 1mjg h LEU 286 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjg h LEU 286 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1mjg h LEU 286 CO 0.00 0.00 -0.36 -0.11 0.09 0.00 0.00 178.44 178.06 1mjg n LEU 287 N -3.89 1.08 -0.18 1.67 7.94 -1.10 -4.29 117.00 118.22 1mjg n LEU 287 Ca -0.03 0.41 -0.00 0.00 -1.11 0.00 0.00 56.01 55.28 1mjg n LEU 287 Cb 0.09 -0.70 0.09 0.00 0.53 0.00 0.00 43.42 43.42 1mjg n LEU 287 CO 0.28 -0.46 0.89 0.77 -1.11 0.00 0.00 177.39 177.76 1mjg h SER 288 N -0.59 -0.08 -0.95 1.96 4.64 -1.65 -1.39 113.55 115.49 1mjg h SER 288 Ca 0.00 0.11 0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1mjg h SER 288 Cb 0.36 0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 62.53 1mjg h SER 288 CO 0.00 -0.02 0.57 -0.33 -0.87 0.00 0.00 176.83 176.18 1mjg h GLU 289 N 0.20 0.81 -0.10 4.77 4.39 -1.41 0.52 114.58 123.77 1mjg h GLU 289 Ca 0.29 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 1mjg h GLU 289 Cb 0.43 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1mjg h GLU 289 CO -0.41 0.53 -0.69 0.82 -1.16 0.00 0.00 179.01 178.11 1mjg h ILE 290 N 0.83 1.37 -0.75 3.13 1.08 -1.49 -2.74 117.51 118.93 1mjg h ILE 290 Ca 0.51 -2.06 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 1mjg h ILE 290 Cb 0.63 2.04 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 1mjg h ILE 290 CO -0.32 0.62 0.42 0.40 -0.69 0.00 0.00 178.15 178.59 1mjg h ILE 291 N 0.30 1.23 -0.43 -0.67 1.08 -0.11 0.03 117.51 118.93 1mjg h ILE 291 Ca -0.02 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1mjg h ILE 291 Cb 1.25 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1mjg h ILE 291 CO 0.12 0.25 0.22 0.58 -0.69 0.00 0.00 178.15 178.62 1mjg h VAL 292 N 1.04 0.97 -0.16 1.67 2.07 -0.80 0.13 116.25 121.17 1mjg h VAL 292 Ca 0.27 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1mjg h VAL 292 Cb 0.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1mjg h VAL 292 CO -0.04 0.08 0.04 1.56 0.02 0.00 0.00 177.57 179.23 1mjg h GLN 293 N 0.44 0.25 -0.76 1.57 4.20 -1.15 -3.04 115.11 116.63 1mjg h GLN 293 Ca 0.19 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1mjg h GLN 293 Cb 0.09 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1mjg h GLN 293 CO -0.13 0.39 0.50 0.00 -0.67 0.00 0.00 178.83 178.92 1mjg h ALA 294 N 0.85 1.46 -0.88 3.87 0.00 -0.69 -2.57 119.26 121.30 1mjg h ALA 294 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 294 Cb 0.25 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1mjg h ALA 294 CO -0.00 0.50 0.58 0.00 0.00 0.00 0.00 179.25 180.33 1mjg h ALA 295 N 1.52 1.12 -0.79 0.00 0.00 -0.64 -1.71 119.26 118.78 1mjg h ALA 295 Ca 0.28 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1mjg h ALA 295 Cb -0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.28 1mjg h ALA 295 CO -0.06 0.49 0.52 0.00 0.00 0.00 0.00 179.25 180.20 1mjg h ARG 296 N 1.17 0.88 -0.00 0.00 3.08 -1.36 -1.03 114.38 117.11 1mjg h ARG 296 Ca 0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1mjg h ARG 296 Cb -0.10 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.75 1mjg h ARG 296 CO -0.08 0.58 -0.14 0.39 -1.07 0.00 0.00 179.97 179.65 1mjg n GLU 297 N -4.47 0.45 0.00 0.04 1.02 -0.72 -3.71 120.64 113.25 1mjg n GLU 297 Ca 0.11 -0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.19 1mjg n GLU 297 Cb 0.17 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1mjg n GLU 297 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1mjg n MET 298 N -1.15 1.43 -0.16 3.49 2.81 -0.42 -4.53 117.12 118.60 1mjg n MET 298 Ca 0.12 -1.42 0.28 0.00 -1.81 0.00 0.00 57.70 54.87 1mjg n MET 298 Cb 0.29 -1.32 0.72 0.00 -0.71 0.00 0.00 33.22 32.20 1mjg n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1mjg h GLU 299 N 3.15 0.00 0.01 0.03 4.39 -1.57 -1.85 114.58 118.75 1mjg h GLU 299 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1mjg h GLU 299 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1mjg h GLU 299 CO 0.00 0.00 -0.00 0.78 -1.16 0.00 0.00 179.01 178.63 1mjg h GLY 300 N 0.00 -0.01 1.95 -3.84 0.00 -1.88 -1.93 103.07 97.36 1mjg h GLY 300 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1mjg h GLY 300 CO -0.00 -0.00 -0.02 0.83 0.00 0.00 0.00 176.54 177.34 1mjg h GLU 301 N -0.65 0.06 -0.09 4.80 5.08 -1.68 -1.05 114.58 121.06 1mjg h GLU 301 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1mjg h GLU 301 Cb 0.64 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1mjg h GLU 301 CO 0.00 0.09 -0.08 0.00 -1.00 0.00 0.00 179.01 178.03 1mjg h ALA 302 N 1.92 0.13 -0.97 3.43 0.00 -1.38 -2.31 119.26 120.08 1mjg h ALA 302 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1mjg h ALA 302 Cb 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1mjg h ALA 302 CO 0.00 -0.06 0.64 0.87 0.00 0.00 0.00 179.25 180.71 1mjg h LYS 303 N -0.20 1.26 -0.33 0.00 1.57 -0.82 -1.31 116.57 116.75 1mjg h LYS 303 Ca 0.02 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 303 Cb 0.58 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1mjg h LYS 303 CO 0.02 0.83 0.12 0.00 -0.57 0.00 0.00 179.45 179.86 1mjg h ALA 304 N 1.40 1.61 0.00 3.86 0.00 -1.10 -0.98 119.26 124.05 1mjg h ALA 304 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1mjg h ALA 304 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1mjg h ALA 304 CO -0.08 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1mjg n ALA 305 N -2.48 2.08 0.00 0.00 0.00 -0.54 -4.86 120.51 114.70 1mjg n ALA 305 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1mjg n ALA 305 Cb 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1mjg n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjg n GLY 306 N 0.77 0.90 3.90 0.00 0.00 -0.37 -4.77 105.19 105.62 1mjg n GLY 306 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1mjg n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg s ALA 307 N -2.00 3.71 0.07 4.61 0.00 -0.89 -4.98 121.76 122.29 1mjg s ALA 307 Ca 0.00 -0.59 0.29 0.00 0.00 0.00 0.00 51.96 51.65 1mjg s ALA 307 Cb 0.00 -2.19 1.08 0.00 0.00 0.00 0.00 23.12 22.01 1mjg s ALA 307 CO 0.00 0.44 1.88 0.87 0.00 0.00 0.00 175.76 178.95 1mjg h LYS 308 N 2.18 0.00 0.00 0.00 1.79 -1.31 -3.31 116.57 115.92 1mjg h LYS 308 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1mjg h LYS 308 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1mjg h LYS 308 CO 0.69 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 179.57 1mjg n GLY 309 N 0.18 -1.29 3.49 3.86 0.00 -1.26 -4.90 105.19 105.27 1mjg n GLY 309 Ca 0.01 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1mjg n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 310 N -3.00 4.54 -0.62 -0.61 1.01 -1.26 -0.95 121.20 120.31 1mjg s ILE 310 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 1mjg s ILE 310 Cb 0.00 -3.12 0.16 0.00 0.01 0.00 0.00 42.46 39.51 1mjg s ILE 310 CO 0.00 0.34 0.49 0.21 0.00 0.00 0.00 174.94 175.98 1mjg s ASN 311 N 1.49 5.84 0.06 3.58 2.47 0.44 -4.90 114.94 123.91 1mjg s ASN 311 Ca 0.06 -2.45 -0.30 0.00 0.42 0.00 0.00 52.86 50.59 1mjg s ASN 311 Cb -0.15 -2.01 -0.05 0.00 -1.45 0.00 0.00 41.25 37.59 1mjg s ASN 311 CO 0.05 -0.55 0.99 -0.76 -3.72 0.00 0.00 177.10 173.10 1mjg s LEU 312 N 0.55 4.43 0.05 3.21 1.43 -1.26 -1.93 118.68 125.16 1mjg s LEU 312 Ca 0.13 1.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1mjg s LEU 312 Cb -0.20 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1mjg s LEU 312 CO -0.04 -0.18 -0.06 0.68 0.23 0.00 0.00 176.35 176.98 1mjg s VAL 313 N 0.52 0.43 0.32 -1.59 -7.23 -0.52 -4.39 120.40 107.94 1mjg s VAL 313 Ca 0.50 -1.32 0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1mjg s VAL 313 Cb -0.23 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1mjg s VAL 313 CO 0.29 -0.60 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.55 1mjg s GLY 314 N -2.04 2.04 0.02 2.32 0.00 0.19 0.31 107.32 110.17 1mjg s GLY 314 Ca -0.05 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.70 1mjg s GLY 314 CO -0.02 -1.97 -0.03 -0.42 0.00 0.00 0.00 173.10 170.65 1mjg s ILE 315 N -2.54 0.18 0.00 0.90 1.01 -0.16 -0.85 121.20 119.73 1mjg s ILE 315 Ca 0.32 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1mjg s ILE 315 Cb -0.01 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1mjg s ILE 315 CO 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 174.94 174.74 1mjg h THR 318 N 1.31 1.21 -0.13 0.00 1.35 -1.46 0.22 112.91 115.41 1mjg h THR 318 Ca 0.34 -0.96 0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1mjg h THR 318 Cb -0.08 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1mjg h THR 318 CO -0.07 0.29 0.03 1.23 -0.25 0.00 0.00 175.52 176.75 1mjg h GLY 319 N 0.86 0.14 1.17 5.82 0.00 -0.80 -1.03 103.07 109.22 1mjg h GLY 319 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1mjg h GLY 319 CO 0.03 0.00 0.26 3.43 0.00 0.00 0.00 176.54 180.26 1mjg h ASN 320 N 0.08 0.98 0.07 0.19 2.35 -0.08 -1.79 115.58 117.38 1mjg h ASN 320 Ca 0.06 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1mjg h ASN 320 Cb 0.05 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 1mjg h ASN 320 CO -0.08 0.88 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.08 1mjg h GLU 321 N 1.03 -0.32 0.00 0.81 4.39 0.11 0.57 114.58 121.18 1mjg h GLU 321 Ca 0.23 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1mjg h GLU 321 Cb 0.23 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1mjg h GLU 321 CO -0.02 -0.21 0.00 -0.39 -1.16 0.00 0.00 179.01 177.23 1mjg h VAL 322 N -0.33 0.00 -0.01 3.13 -1.51 -1.14 -2.37 116.25 114.02 1mjg h VAL 322 Ca 0.03 -0.62 -0.08 0.00 -1.23 0.00 0.00 66.70 64.80 1mjg h VAL 322 Cb 0.36 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1mjg h VAL 322 CO -0.12 0.00 -0.31 0.25 -1.23 0.00 0.00 177.57 176.16 1mjg h LEU 323 N 0.00 0.29 -1.45 4.19 5.85 -0.91 0.24 115.31 123.52 1mjg h LEU 323 Ca 0.00 -0.75 -0.02 0.00 0.84 0.00 0.00 57.88 57.95 1mjg h LEU 323 Cb 0.69 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1mjg h LEU 323 CO 0.00 1.00 0.11 0.24 -0.34 0.00 0.00 178.44 179.45 1mjg h MET 324 N -0.39 0.47 0.00 1.25 2.86 -0.76 -1.83 114.93 116.54 1mjg h MET 324 Ca -0.04 -0.06 -0.26 0.00 -2.06 0.00 0.00 59.70 57.28 1mjg h MET 324 Cb 1.04 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.56 1mjg h MET 324 CO 0.06 0.42 -1.98 0.54 1.06 0.00 0.00 176.91 177.01 1mjg n ARG 325 N -4.38 1.42 0.00 1.72 1.74 -0.91 -4.17 116.66 112.09 1mjg n ARG 325 Ca 0.02 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 1mjg n ARG 325 Cb 0.16 -1.36 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 1mjg n ARG 325 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1mjg n GLN 326 N -2.63 -0.22 -1.15 5.56 1.13 0.78 -4.99 117.38 115.86 1mjg n GLN 326 Ca -0.25 -0.82 -0.05 0.00 -1.94 0.00 0.00 57.00 53.94 1mjg n GLN 326 Cb 0.94 -1.10 -0.02 0.00 0.11 0.00 0.00 30.24 30.16 1mjg n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mjg n GLY 327 N 0.31 0.72 3.71 1.08 0.00 -0.69 -4.94 105.19 105.38 1mjg n GLY 327 Ca 0.03 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1mjg n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 328 N -1.97 2.87 0.60 -0.61 -1.09 -0.95 -4.73 121.20 115.32 1mjg s ILE 328 Ca 0.00 0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.80 1mjg s ILE 328 Cb 0.00 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1mjg s ILE 328 CO 0.00 0.03 1.13 -2.16 -1.23 0.00 0.00 174.94 172.71 1mjg s PRO 329 N 1.53 3.06 -0.16 2.79 0.04 -1.26 -3.95 135.00 137.04 1mjg s PRO 329 Ca 0.70 1.54 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 1mjg s PRO 329 Cb -0.41 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1mjg s PRO 329 CO 0.31 -1.07 0.29 -0.51 0.04 0.00 0.00 177.00 176.06 1mjg s LEU 330 N -4.30 4.25 -0.14 -3.56 1.43 -0.84 -0.63 118.68 114.89 1mjg s LEU 330 Ca 0.71 0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 1mjg s LEU 330 Cb -0.23 -2.36 -0.25 0.00 0.03 0.00 0.00 46.19 43.38 1mjg s LEU 330 CO 0.34 0.11 0.58 0.58 0.23 0.00 0.00 176.35 178.19 1mjg h VAL 331 N 4.65 1.34 -2.68 -1.59 2.07 -1.23 0.29 116.25 119.10 1mjg h VAL 331 Ca -0.42 -2.33 0.11 0.00 0.82 0.00 0.00 66.70 64.88 1mjg h VAL 331 Cb 1.17 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.79 1mjg h VAL 331 CO 0.75 0.56 0.48 0.28 0.02 0.00 0.00 177.57 179.66 1mjg s THR 332 N -2.34 0.00 0.28 2.57 -1.32 -1.25 -0.94 115.64 112.64 1mjg s THR 332 Ca -0.21 -0.72 0.04 0.00 -1.21 0.00 0.00 61.69 59.58 1mjg s THR 332 Cb 0.02 -2.83 0.04 0.00 -1.51 0.00 0.00 72.50 68.21 1mjg s THR 332 CO 0.69 0.00 0.30 -1.54 -2.21 0.00 0.00 174.62 171.86 1mjg n SER 333 N -1.23 1.50 -0.08 8.08 3.41 -1.26 -3.97 113.62 120.07 1mjg n SER 333 Ca -0.05 -1.87 -0.05 0.00 -0.26 0.00 0.00 58.87 56.64 1mjg n SER 333 Cb 0.60 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1mjg n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1mjg h PHE 334 N 0.33 -0.68 -0.38 7.33 3.57 -1.94 -2.85 116.94 122.33 1mjg h PHE 334 Ca -0.16 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.49 1mjg h PHE 334 Cb 0.64 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1mjg h PHE 334 CO 0.00 -0.18 0.39 0.00 -2.23 0.00 0.00 178.31 176.30 1mjg h ALA 335 N -0.71 2.08 -0.28 2.41 0.00 -1.97 -2.52 119.26 118.27 1mjg h ALA 335 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 335 Cb 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1mjg h ALA 335 CO -0.26 -0.59 0.00 -1.13 0.00 0.00 0.00 179.25 177.27 1mjg n SER 336 N -3.78 3.67 -0.13 0.00 3.41 -1.09 -4.68 113.62 111.02 1mjg n SER 336 Ca 0.06 -3.13 0.06 0.00 -0.26 0.00 0.00 58.87 55.61 1mjg n SER 336 Cb 0.56 -0.56 0.38 0.00 -0.26 0.00 0.00 64.21 64.33 1mjg n SER 336 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1mjg h GLN 337 N 1.64 0.67 -0.37 4.33 3.07 -1.32 -1.99 115.11 121.14 1mjg h GLN 337 Ca 0.04 -0.04 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 1mjg h GLN 337 Cb 1.48 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.88 1mjg h GLN 337 CO 0.25 0.44 -0.36 0.93 0.09 0.00 0.00 178.83 180.19 1mjg h GLU 338 N 0.69 0.87 0.00 0.06 5.08 -1.85 -3.03 114.58 116.41 1mjg h GLU 338 Ca 0.27 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1mjg h GLU 338 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1mjg h GLU 338 CO -0.08 1.08 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.86 1mjg h LEU 339 N 0.72 0.00 -0.98 1.33 3.38 -1.70 -1.08 115.31 116.97 1mjg h LEU 339 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1mjg h LEU 339 Cb 0.93 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1mjg h LEU 339 CO 0.09 0.08 0.55 0.00 0.09 0.00 0.00 178.44 179.24 1mjg h ALA 340 N 1.92 1.23 -0.16 1.53 0.00 -1.38 -1.38 119.26 121.02 1mjg h ALA 340 Ca -0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1mjg h ALA 340 Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mjg h ALA 340 CO 0.01 0.65 -0.33 0.82 0.00 0.00 0.00 179.25 180.40 1mjg h ILE 341 N 1.27 1.28 0.00 0.00 2.04 -1.29 -2.59 117.51 118.21 1mjg h ILE 341 Ca 0.33 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1mjg h ILE 341 Cb -0.04 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1mjg h ILE 341 CO -0.06 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1mjg h THR 343 N 0.00 0.22 0.00 0.00 1.35 -1.39 -3.45 112.91 109.63 1mjg h THR 343 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1mjg h THR 343 Cb 0.10 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1mjg h THR 343 CO 0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1mjg n GLY 344 N 0.27 0.94 0.78 5.82 0.00 -0.45 -1.14 105.19 111.42 1mjg n GLY 344 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1mjg n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 345 N 0.86 2.41 -2.62 4.61 0.00 -1.26 -4.87 120.51 119.63 1mjg n ALA 345 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 53.44 52.20 1mjg n ALA 345 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1mjg n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mjg s ILE 346 N -1.31 4.55 0.02 0.00 -1.09 -1.26 -4.35 121.20 117.76 1mjg s ILE 346 Ca 0.25 1.44 0.08 0.00 -2.23 0.00 0.00 60.65 60.19 1mjg s ILE 346 Cb 0.16 -4.37 -0.23 0.00 -1.58 0.00 0.00 42.46 36.44 1mjg s ILE 346 CO 0.22 -0.51 0.91 0.44 -1.23 0.00 0.00 174.94 174.78 1mjg h ASP 347 N 8.32 0.05 -3.96 3.58 3.32 -1.60 -3.40 116.42 122.72 1mjg h ASP 347 Ca -0.22 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1mjg h ASP 347 Cb 1.07 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 1mjg h ASP 347 CO 1.00 1.07 0.11 0.00 -1.72 0.00 0.00 179.24 179.70 1mjg s ALA 348 N -2.64 -1.76 -0.29 3.45 0.00 -1.14 -2.35 121.76 117.05 1mjg s ALA 348 Ca -0.03 2.01 0.02 0.00 0.00 0.00 0.00 51.96 53.96 1mjg s ALA 348 Cb 0.09 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 22.11 1mjg s ALA 348 CO 0.83 -0.34 -0.02 1.41 0.00 0.00 0.00 175.76 177.64 1mjg s MET 349 N 0.42 1.64 -0.19 0.00 1.75 -0.33 -0.02 119.30 122.57 1mjg s MET 349 Ca -0.00 -1.40 -0.15 0.00 -1.25 0.00 0.00 55.69 52.89 1mjg s MET 349 Cb -0.05 -2.81 -0.04 0.00 2.84 0.00 0.00 34.83 34.77 1mjg s MET 349 CO 0.00 -0.75 0.37 0.00 -0.65 0.00 0.00 175.02 173.99 1mjg s VAL 351 N 1.14 1.31 0.00 0.00 0.11 0.42 -1.90 120.40 121.48 1mjg s VAL 351 Ca 0.18 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1mjg s VAL 351 Cb -0.14 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 1mjg s VAL 351 CO 0.07 -0.49 0.00 -0.90 -3.33 0.00 0.00 175.10 170.45 1mjg n ASP 352 N 0.36 0.00 -4.10 3.54 5.68 -1.13 -2.19 116.55 118.71 1mjg n ASP 352 Ca -0.14 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.04 1mjg n ASP 352 Cb 0.58 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.45 1mjg n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1mjg s VAL 353 N 0.00 0.51 0.18 2.12 -7.23 -1.26 -4.40 120.40 110.32 1mjg s VAL 353 Ca 0.00 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1mjg s VAL 353 Cb 0.00 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1mjg s VAL 353 CO 0.00 -0.66 0.00 0.00 -0.31 0.00 0.00 175.10 174.13 1mjg n GLN 354 N 0.74 -2.47 -2.65 4.82 6.02 -1.26 -2.87 117.38 119.72 1mjg n GLN 354 Ca -0.18 1.79 -0.21 0.00 -0.01 0.00 0.00 57.00 58.39 1mjg n GLN 354 Cb 0.58 -1.96 0.01 0.00 1.02 0.00 0.00 30.24 29.89 1mjg n GLN 354 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mjg s ILE 356 N -3.08 4.62 -0.24 0.00 1.01 -1.26 -4.95 121.20 117.29 1mjg s ILE 356 Ca 0.13 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 1mjg s ILE 356 Cb -0.06 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1mjg s ILE 356 CO 0.16 -0.18 1.77 -0.04 0.00 0.00 0.00 174.94 176.64 1mjg s MET 357 N 1.57 3.58 0.22 2.79 -1.94 -1.26 -4.84 119.30 119.43 1mjg s MET 357 Ca 0.03 1.68 0.17 0.00 -1.71 0.00 0.00 55.69 55.85 1mjg s MET 357 Cb -0.19 -4.14 0.85 0.00 2.01 0.00 0.00 34.83 33.37 1mjg s MET 357 CO 0.07 -1.56 1.52 -0.35 -0.01 0.00 0.00 175.02 174.69 1mjg n PRO 358 N 8.05 0.11 0.05 2.03 -0.04 -1.26 -1.65 135.00 142.29 1mjg n PRO 358 Ca 0.21 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.30 1mjg n PRO 358 Cb 0.45 -1.81 0.35 0.00 -0.04 0.00 0.00 33.50 32.45 1mjg n PRO 358 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mjg n SER 359 N -2.04 0.25 0.24 3.54 3.41 -1.26 -2.73 113.62 115.02 1mjg n SER 359 Ca -0.00 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1mjg n SER 359 Cb 0.07 -0.62 0.80 0.00 -0.26 0.00 0.00 64.21 64.20 1mjg n SER 359 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1mjg h ILE 360 N 0.00 0.66 -0.34 -1.33 3.07 -1.71 0.17 117.51 118.03 1mjg h ILE 360 Ca 0.00 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 66.24 1mjg h ILE 360 Cb 0.24 0.94 -0.00 0.00 -0.27 0.00 0.00 36.82 37.72 1mjg h ILE 360 CO 0.00 0.00 -0.45 0.77 -1.05 0.00 0.00 178.15 177.42 1mjg h SER 361 N 0.00 0.98 0.07 2.16 4.64 -1.78 0.28 113.55 119.89 1mjg h SER 361 Ca 0.04 -0.48 -0.16 0.00 -0.47 0.00 0.00 61.79 60.72 1mjg h SER 361 Cb 0.21 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1mjg h SER 361 CO -0.00 1.27 -0.57 0.00 -0.87 0.00 0.00 176.83 176.66 1mjg h ALA 362 N 0.76 0.69 -0.16 5.18 0.00 -1.38 -2.43 119.26 121.92 1mjg h ALA 362 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1mjg h ALA 362 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1mjg h ALA 362 CO 0.10 0.70 -0.23 0.28 0.00 0.00 0.00 179.25 180.10 1mjg h VAL 363 N 0.40 1.35 -0.06 0.00 2.07 -0.90 -3.11 116.25 116.00 1mjg h VAL 363 Ca 0.00 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1mjg h VAL 363 Cb 1.12 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1mjg h VAL 363 CO 0.11 0.43 0.04 0.00 0.02 0.00 0.00 177.57 178.17 1mjg h ALA 364 N 0.58 2.05 0.00 1.67 0.00 -0.43 -0.99 119.26 122.14 1mjg h ALA 364 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 364 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mjg h ALA 364 CO 0.05 -0.07 -0.02 1.49 0.00 0.00 0.00 179.25 180.70 1mjg h GLU 365 N 0.00 0.00 0.00 0.00 4.81 -1.36 0.04 114.58 118.07 1mjg h GLU 365 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1mjg h GLU 365 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1mjg h GLU 365 CO -0.00 0.02 -0.17 0.00 -0.73 0.00 0.00 179.01 178.13 1mjg n TYR 367 N -2.24 0.00 -3.26 0.00 4.02 -0.24 -5.02 117.16 110.42 1mjg n TYR 367 Ca 0.05 -0.34 -0.23 0.00 -0.01 0.00 0.00 57.90 57.36 1mjg n TYR 367 Cb 0.43 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 1mjg n TYR 367 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1mjg n HIS 368 N -0.34 -2.22 -3.52 -0.72 8.25 -0.16 -4.99 115.22 111.52 1mjg n HIS 368 Ca 0.00 0.67 -0.34 0.00 -0.26 0.00 0.00 57.72 57.79 1mjg n HIS 368 Cb 0.32 -4.47 -0.05 0.00 1.12 0.00 0.00 29.99 26.91 1mjg n HIS 368 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1mjg s THR 369 N -3.20 5.03 -0.25 1.59 2.01 -1.10 -4.94 115.64 114.78 1mjg s THR 369 Ca 0.41 0.50 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 1mjg s THR 369 Cb -0.19 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1mjg s THR 369 CO 0.51 0.23 0.43 -0.13 -0.69 0.00 0.00 174.62 174.96 1mjg s ARG 370 N -2.06 4.07 -0.18 4.92 1.81 -0.99 -4.69 118.95 121.82 1mjg s ARG 370 Ca 0.36 0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 54.43 1mjg s ARG 370 Cb -0.14 -3.63 -0.05 0.00 -0.45 0.00 0.00 34.95 30.69 1mjg s ARG 370 CO 0.19 -0.25 0.22 0.42 -0.68 0.00 0.00 175.30 175.20 1mjg s ILE 371 N 1.99 5.35 -0.19 1.52 -1.09 -1.26 -1.19 121.20 126.33 1mjg s ILE 371 Ca 0.18 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1mjg s ILE 371 Cb -0.16 -3.56 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1mjg s ILE 371 CO 0.09 0.40 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.50 1mjg s ILE 372 N 0.49 1.42 0.33 2.92 1.01 -0.59 -1.24 121.20 125.54 1mjg s ILE 372 Ca 0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1mjg s ILE 372 Cb -0.12 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1mjg s ILE 372 CO 0.01 0.11 0.60 0.42 0.00 0.00 0.00 174.94 176.09 1mjg s THR 373 N 1.49 5.00 0.00 2.92 -4.23 0.02 -0.43 115.64 120.40 1mjg s THR 373 Ca -0.01 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1mjg s THR 373 Cb -0.16 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1mjg s THR 373 CO -0.08 -0.45 0.00 0.35 -0.54 0.00 0.00 174.62 173.90 1mjg n THR 374 N -1.29 0.00 -3.87 3.99 -2.24 -0.93 -0.99 114.28 108.94 1mjg n THR 374 Ca -0.02 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 1mjg n THR 374 Cb 0.54 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1mjg n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg s ALA 375 N -0.24 3.90 -0.94 6.98 0.00 -1.26 -2.54 121.76 127.66 1mjg s ALA 375 Ca 0.00 -0.66 0.18 0.00 0.00 0.00 0.00 51.96 51.48 1mjg s ALA 375 Cb 0.00 -1.96 0.78 0.00 0.00 0.00 0.00 23.12 21.94 1mjg s ALA 375 CO 0.00 0.66 1.59 -0.40 0.00 0.00 0.00 175.76 177.60 1mjg n ASP 376 N 1.62 0.09 -0.72 0.00 5.68 -1.26 -2.71 116.55 119.24 1mjg n ASP 376 Ca -0.17 0.52 0.07 0.00 -0.50 0.00 0.00 54.79 54.71 1mjg n ASP 376 Cb 0.54 -0.54 0.20 0.00 -1.14 0.00 0.00 41.12 40.18 1mjg n ASP 376 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1mjg n ASN 377 N -1.59 3.32 -3.21 -1.12 2.04 -1.26 -4.79 115.26 108.65 1mjg n ASN 377 Ca 0.04 -2.48 -0.12 0.00 -0.44 0.00 0.00 54.58 51.58 1mjg n ASN 377 Cb 0.22 -0.37 -0.05 0.00 -2.53 0.00 0.00 39.78 37.05 1mjg n ASN 377 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1mjg s ALA 378 N -1.86 -0.86 0.17 -2.53 0.00 -1.10 -5.05 121.76 110.52 1mjg s ALA 378 Ca 0.31 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1mjg s ALA 378 Cb 0.22 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1mjg s ALA 378 CO 0.12 -2.16 -0.06 0.15 0.00 0.00 0.00 175.76 173.81 1mjg s LYS 379 N 1.17 2.20 -0.15 0.00 1.02 -1.26 -4.41 119.74 118.31 1mjg s LYS 379 Ca 0.22 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 1mjg s LYS 379 Cb -0.07 -2.25 0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1mjg s LYS 379 CO -0.06 0.45 0.00 0.42 -0.92 0.00 0.00 175.35 175.24 1mjg s ILE 380 N -1.67 0.61 0.40 2.17 1.01 -1.26 -5.09 121.20 117.36 1mjg s ILE 380 Ca 0.26 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.29 1mjg s ILE 380 Cb -0.09 -0.92 -0.10 0.00 0.01 0.00 0.00 42.46 41.35 1mjg s ILE 380 CO 0.16 0.02 1.35 -2.65 0.00 0.00 0.00 174.94 173.82 1mjg n PRO 381 N 5.04 2.18 0.00 2.79 -0.02 -1.26 -1.50 135.00 142.23 1mjg n PRO 381 Ca -0.09 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1mjg n PRO 381 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1mjg n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjg n GLY 382 N 0.69 3.36 3.85 -1.23 0.00 -1.26 -4.89 105.19 105.70 1mjg n GLY 382 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1mjg n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg s ALA 383 N -2.53 3.79 0.49 4.61 0.00 -0.56 -4.92 121.76 122.64 1mjg s ALA 383 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1mjg s ALA 383 Cb 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 1mjg s ALA 383 CO 0.00 0.71 1.29 0.71 0.00 0.00 0.00 175.76 178.47 1mjg s TYR 384 N -1.23 2.55 -0.06 0.00 4.12 -0.37 -4.82 117.35 117.54 1mjg s TYR 384 Ca 0.24 1.43 0.04 0.00 0.02 0.00 0.00 57.07 58.80 1mjg s TYR 384 Cb -0.12 -3.65 -0.00 0.00 -1.52 0.00 0.00 41.96 36.66 1mjg s TYR 384 CO 0.15 -2.34 -0.18 -1.58 0.02 0.00 0.00 175.55 171.61 1mjg s HIS 385 N -1.37 1.90 -0.15 2.71 5.65 -1.26 -0.80 115.29 121.97 1mjg s HIS 385 Ca 0.66 -0.62 0.02 0.00 0.25 0.00 0.00 55.06 55.37 1mjg s HIS 385 Cb -0.36 -1.29 0.01 0.00 -1.18 0.00 0.00 32.58 29.76 1mjg s HIS 385 CO 0.44 -0.23 -0.20 0.42 -0.65 0.00 0.00 174.74 174.52 1mjg s ILE 386 N 0.17 2.23 -1.26 0.89 1.01 -0.16 -4.96 121.20 119.13 1mjg s ILE 386 Ca -0.08 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 1mjg s ILE 386 Cb -0.14 -1.91 0.07 0.00 0.01 0.00 0.00 42.46 40.50 1mjg s ILE 386 CO 0.04 0.54 1.69 -0.62 0.00 0.00 0.00 174.94 176.59 1mjg s ASP 387 N 0.83 6.80 0.06 3.58 2.15 -1.26 -4.05 116.67 124.77 1mjg s ASP 387 Ca -0.06 -2.33 -0.31 0.00 0.43 0.00 0.00 52.55 50.29 1mjg s ASP 387 Cb -0.15 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.81 1mjg s ASP 387 CO -0.02 -1.20 1.70 -0.47 -0.17 0.00 0.00 175.17 175.01 1mjg s TYR 388 N 4.25 2.24 -0.01 -5.34 5.04 -1.05 -5.01 117.35 117.47 1mjg s TYR 388 Ca 0.52 0.20 0.04 0.00 -2.44 0.00 0.00 57.07 55.40 1mjg s TYR 388 Cb 0.03 -4.01 -0.01 0.00 0.35 0.00 0.00 41.96 38.33 1mjg s TYR 388 CO 0.05 -4.12 -0.14 -0.65 -1.34 0.00 0.00 175.55 169.35 1mjg s GLN 389 N 2.96 1.16 0.32 4.97 -0.21 -1.26 -4.94 119.66 122.67 1mjg s GLN 389 Ca 0.76 -0.51 0.05 0.00 0.02 0.00 0.00 55.36 55.68 1mjg s GLN 389 Cb -0.40 -1.12 0.68 0.00 1.00 0.00 0.00 33.01 33.16 1mjg s GLN 389 CO 0.33 0.30 1.87 1.79 -2.12 0.00 0.00 175.29 177.47 1mjg h THR 390 N 4.80 0.92 0.00 -0.19 1.35 -1.95 -1.63 112.91 116.21 1mjg h THR 390 Ca -0.34 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1mjg h THR 390 Cb 1.16 -0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1mjg h THR 390 CO 0.49 0.16 -0.02 0.00 -0.25 0.00 0.00 175.52 175.89 1mjg h ALA 391 N 1.56 1.87 -0.43 6.62 0.00 -1.95 -3.08 119.26 123.85 1mjg h ALA 391 Ca 0.44 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.02 1mjg h ALA 391 Cb 0.51 -0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.95 1mjg h ALA 391 CO -0.20 0.03 -0.91 0.25 0.00 0.00 0.00 179.25 178.42 1mjg n THR 392 N -4.38 1.71 -0.12 0.00 -2.24 -0.70 -4.74 114.28 103.81 1mjg n THR 392 Ca -0.03 -3.20 -0.04 0.00 -2.27 0.00 0.00 64.05 58.50 1mjg n THR 392 Cb 0.11 0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1mjg n THR 392 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg h ALA 393 N 2.00 0.35 -0.49 6.98 0.00 -1.24 -2.78 119.26 124.08 1mjg h ALA 393 Ca 0.06 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1mjg h ALA 393 Cb 1.42 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1mjg h ALA 393 CO 0.36 -0.41 0.19 0.97 0.00 0.00 0.00 179.25 180.36 1mjg h ILE 394 N 0.08 0.85 -0.57 0.00 6.09 -1.89 0.39 117.51 122.47 1mjg h ILE 394 Ca 0.20 -0.13 -0.01 0.00 -1.37 0.00 0.00 64.86 63.55 1mjg h ILE 394 Cb 0.29 0.45 -0.03 0.00 0.47 0.00 0.00 36.82 38.00 1mjg h ILE 394 CO -0.36 0.07 0.31 -0.33 -3.07 0.00 0.00 178.15 174.77 1mjg h GLU 395 N 0.37 0.79 -0.61 2.19 5.08 -1.91 -0.97 114.58 119.51 1mjg h GLU 395 Ca 0.23 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1mjg h GLU 395 Cb 0.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1mjg h GLU 395 CO -0.23 0.61 0.26 0.77 -1.00 0.00 0.00 179.01 179.42 1mjg h SER 396 N 0.76 0.84 -0.48 1.42 0.02 -1.18 -0.88 113.55 114.05 1mjg h SER 396 Ca 0.20 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1mjg h SER 396 Cb 0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1mjg h SER 396 CO -0.03 0.77 0.30 0.00 -1.14 0.00 0.00 176.83 176.72 1mjg h ALA 397 N 1.10 0.61 -0.44 3.77 0.00 -0.53 -0.76 119.26 123.01 1mjg h ALA 397 Ca 0.21 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 397 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1mjg h ALA 397 CO -0.02 0.08 -0.07 0.87 0.00 0.00 0.00 179.25 180.10 1mjg h LYS 398 N 0.64 0.76 -0.50 0.00 1.57 -0.97 -1.44 116.57 116.63 1mjg h LYS 398 Ca 0.17 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1mjg h LYS 398 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1mjg h LYS 398 CO -0.03 0.82 0.28 1.15 -0.57 0.00 0.00 179.45 181.10 1mjg h THR 399 N 0.70 1.17 -0.29 -0.16 2.02 -0.69 0.10 112.91 115.76 1mjg h THR 399 Ca 0.13 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1mjg h THR 399 Cb 0.54 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1mjg h THR 399 CO 0.03 0.18 0.12 0.00 0.37 0.00 0.00 175.52 176.22 1mjg h ALA 400 N 1.12 0.38 -0.75 6.16 0.00 -0.84 -1.87 119.26 123.46 1mjg h ALA 400 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mjg h ALA 400 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1mjg h ALA 400 CO -0.03 -0.02 0.45 0.82 0.00 0.00 0.00 179.25 180.47 1mjg h ILE 401 N 0.32 1.22 -0.23 0.00 2.04 -1.05 -1.50 117.51 118.31 1mjg h ILE 401 Ca 0.10 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1mjg h ILE 401 Cb 0.18 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1mjg h ILE 401 CO -0.01 0.23 0.03 0.03 0.00 0.00 0.00 178.15 178.43 1mjg h ARG 402 N 1.03 0.33 -0.57 2.37 3.08 -0.73 -0.02 114.38 119.88 1mjg h ARG 402 Ca 0.27 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1mjg h ARG 402 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1mjg h ARG 402 CO -0.05 0.33 0.06 0.52 -1.07 0.00 0.00 179.97 179.77 1mjg h MET 403 N 0.33 0.96 -0.72 0.04 2.86 -0.46 -1.59 114.93 116.35 1mjg h MET 403 Ca 0.08 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1mjg h MET 403 Cb 0.18 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1mjg h MET 403 CO 0.00 0.93 0.27 0.00 1.06 0.00 0.00 176.91 179.17 1mjg h ALA 404 N 0.99 0.94 -0.74 6.32 0.00 -0.43 -1.63 119.26 124.71 1mjg h ALA 404 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1mjg h ALA 404 Cb 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1mjg h ALA 404 CO 0.02 0.57 0.39 0.82 0.00 0.00 0.00 179.25 181.05 1mjg h ILE 405 N 1.04 1.23 -0.72 0.00 2.04 -0.73 0.24 117.51 120.61 1mjg h ILE 405 Ca 0.24 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1mjg h ILE 405 Cb 0.24 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1mjg h ILE 405 CO -0.02 0.26 0.25 -0.33 0.00 0.00 0.00 178.15 178.31 1mjg h GLU 406 N 1.03 1.08 -0.06 2.37 4.39 -0.99 -1.77 114.58 120.63 1mjg h GLU 406 Ca 0.26 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1mjg h GLU 406 Cb 0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1mjg h GLU 406 CO -0.04 0.90 -0.29 0.00 -1.16 0.00 0.00 179.01 178.43 1mjg h ALA 407 N 1.22 1.41 0.16 3.43 0.00 -0.56 -2.29 119.26 122.63 1mjg h ALA 407 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1mjg h ALA 407 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mjg h ALA 407 CO -0.01 0.42 -0.08 0.35 0.00 0.00 0.00 179.25 179.93 1mjg h PHE 408 N 0.10 -0.20 -0.31 0.00 3.57 -0.15 -1.47 116.94 118.47 1mjg h PHE 408 Ca 0.01 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1mjg h PHE 408 Cb 0.56 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 1mjg h PHE 408 CO 0.00 0.09 -0.09 0.87 -2.23 0.00 0.00 178.31 176.95 1mjg h LYS 409 N -0.48 -0.02 -0.58 1.11 1.57 -1.14 -0.26 116.57 116.77 1mjg h LYS 409 Ca -0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1mjg h LYS 409 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1mjg h LYS 409 CO 0.04 -0.01 0.38 0.93 -0.57 0.00 0.00 179.45 180.22 1mjg h GLU 410 N -0.02 0.67 0.30 3.15 5.08 -1.39 0.32 114.58 122.70 1mjg h GLU 410 Ca 0.15 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1mjg h GLU 410 Cb 0.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1mjg h GLU 410 CO -0.33 0.44 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.89 1mjg h ARG 411 N 0.69 -0.39 -0.23 2.33 2.43 -0.01 -3.27 114.38 115.94 1mjg h ARG 411 Ca 0.23 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1mjg h ARG 411 Cb 0.06 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1mjg h ARG 411 CO -0.06 -0.16 -0.05 0.87 -1.51 0.00 0.00 179.97 179.06 1mjg h LYS 412 N -0.55 0.44 -1.60 0.20 1.79 -0.55 -3.24 116.57 113.05 1mjg h LYS 412 Ca -0.04 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1mjg h LYS 412 Cb 0.41 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1mjg h LYS 412 CO 0.07 0.67 0.00 -0.85 -1.08 0.00 0.00 179.45 178.26 1mjg n GLU 413 N -4.59 0.42 -3.73 3.15 0.28 0.11 -4.67 120.64 111.61 1mjg n GLU 413 Ca -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.88 1mjg n GLU 413 Cb 0.28 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 31.85 1mjg n GLU 413 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1mjg s SER 414 N 1.06 -0.33 -0.95 -1.84 1.04 -1.22 -5.00 113.70 106.46 1mjg s SER 414 Ca 0.00 -0.42 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1mjg s SER 414 Cb 0.00 0.66 -0.19 0.00 0.10 0.00 0.00 66.02 66.59 1mjg s SER 414 CO 0.00 -1.18 2.26 0.21 0.98 0.00 0.00 173.24 175.51 1mjg s ASN 415 N -2.86 3.59 -0.92 7.02 2.47 -1.26 -4.83 114.94 118.14 1mjg s ASN 415 Ca 0.08 -0.48 -0.20 0.00 0.42 0.00 0.00 52.86 52.68 1mjg s ASN 415 Cb -0.04 -2.58 0.10 0.00 -1.45 0.00 0.00 41.25 37.29 1mjg s ASN 415 CO 0.01 -4.41 1.19 0.00 -3.72 0.00 0.00 177.10 170.17 1mjg s ARG 416 N 8.72 3.54 0.12 0.43 1.70 -1.26 -5.00 118.95 127.21 1mjg s ARG 416 Ca 0.87 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 1mjg s ARG 416 Cb -0.09 -4.95 -0.06 0.00 -0.57 0.00 0.00 34.95 29.28 1mjg s ARG 416 CO 0.13 -1.89 1.11 -1.25 -1.08 0.00 0.00 175.30 172.32 1mjg s PRO 417 N 3.43 4.55 -0.00 3.89 0.04 -1.26 -5.00 135.00 140.64 1mjg s PRO 417 Ca 0.35 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1mjg s PRO 417 Cb -0.05 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 1mjg s PRO 417 CO -0.07 -0.03 -0.03 0.08 0.04 0.00 0.00 177.00 176.98 1mjg s VAL 418 N 0.30 0.26 -0.23 -0.36 1.01 -1.26 -4.73 120.40 115.39 1mjg s VAL 418 Ca 0.52 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1mjg s VAL 418 Cb -0.28 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 35.95 1mjg s VAL 418 CO 0.32 0.07 0.07 -0.47 0.00 0.00 0.00 175.10 175.09 1mjg s TYR 419 N -0.10 0.96 -0.29 5.22 5.04 -0.29 -5.05 117.35 122.84 1mjg s TYR 419 Ca 0.01 -0.99 -0.04 0.00 -2.44 0.00 0.00 57.07 53.60 1mjg s TYR 419 Cb -0.01 -1.12 0.03 0.00 0.35 0.00 0.00 41.96 41.20 1mjg s TYR 419 CO -0.00 -0.70 0.03 0.42 -1.34 0.00 0.00 175.55 173.96 1mjg s ILE 420 N 1.88 3.46 0.05 3.14 1.01 -1.26 -4.48 121.20 124.99 1mjg s ILE 420 Ca 0.03 -1.00 -0.33 0.00 0.00 0.00 0.00 60.65 59.36 1mjg s ILE 420 Cb -0.17 -2.85 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 1mjg s ILE 420 CO -0.17 0.02 1.79 -2.65 0.00 0.00 0.00 174.94 173.93 1mjg n PRO 421 N 4.76 2.38 -1.34 2.79 -0.02 -1.26 -4.80 135.00 137.50 1mjg n PRO 421 Ca -0.14 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 1mjg n PRO 421 Cb 0.46 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1mjg n PRO 421 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1mjg n GLN 422 N 5.47 3.45 -4.65 -0.52 1.13 -1.26 -2.48 117.38 118.53 1mjg n GLN 422 Ca 0.20 -2.14 -0.29 0.00 -1.94 0.00 0.00 57.00 52.83 1mjg n GLN 422 Cb 0.32 -2.60 -0.17 0.00 0.11 0.00 0.00 30.24 27.90 1mjg n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mjg s ILE 423 N 1.37 1.59 -0.12 5.09 1.01 -1.26 -4.91 121.20 123.98 1mjg s ILE 423 Ca 0.67 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 1mjg s ILE 423 Cb 0.21 -1.43 0.11 0.00 0.01 0.00 0.00 42.46 41.36 1mjg s ILE 423 CO -0.06 0.46 0.90 -1.59 0.00 0.00 0.00 174.94 174.65 1mjg s LYS 424 N 0.78 0.74 0.11 2.79 -2.85 -1.26 -0.02 119.74 120.03 1mjg s LYS 424 Ca -0.11 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.08 1mjg s LYS 424 Cb -0.16 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 1mjg s LYS 424 CO 0.02 -0.24 -0.19 -0.80 0.10 0.00 0.00 175.35 174.24 1mjg s ASN 425 N -1.24 2.39 0.38 0.03 0.01 -0.61 -4.95 114.94 110.94 1mjg s ASN 425 Ca -0.04 -0.72 -0.26 0.00 -0.71 0.00 0.00 52.86 51.13 1mjg s ASN 425 Cb -0.00 -0.12 -0.09 0.00 0.41 0.00 0.00 41.25 41.45 1mjg s ASN 425 CO 0.03 0.00 1.16 -0.60 -1.51 0.00 0.00 177.10 176.19 1mjg s ARG 426 N -2.12 4.16 -0.00 -0.60 3.52 -1.26 -1.54 118.95 121.11 1mjg s ARG 426 Ca 0.07 1.84 0.03 0.00 -0.13 0.00 0.00 55.73 57.55 1mjg s ARG 426 Cb -0.09 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 1mjg s ARG 426 CO 0.04 -0.23 -0.10 0.08 -0.81 0.00 0.00 175.30 174.28 1mjg s VAL 427 N -1.38 0.78 -0.15 7.11 1.01 0.11 -3.73 120.40 124.15 1mjg s VAL 427 Ca 0.55 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1mjg s VAL 427 Cb -0.31 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1mjg s VAL 427 CO 0.39 0.17 -0.20 -0.69 0.00 0.00 0.00 175.10 174.78 1mjg s VAL 428 N -0.33 1.94 0.00 2.92 1.01 -0.49 -0.43 120.40 125.02 1mjg s VAL 428 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1mjg s VAL 428 Cb -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1mjg s VAL 428 CO -0.00 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.62 1mjg n ALA 429 N 4.29 0.00 -1.19 5.51 0.00 -0.21 -4.56 120.51 124.35 1mjg n ALA 429 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mjg n ALA 429 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1mjg n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjg n GLY 430 N 0.00 0.63 3.13 0.00 0.00 -1.24 -0.60 105.19 107.10 1mjg n GLY 430 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1mjg n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mjg n TRP 431 N -3.07 3.90 -1.30 1.61 7.02 -0.87 -2.75 117.44 121.98 1mjg n TRP 431 Ca 0.00 -3.00 -0.29 0.00 -1.02 0.00 0.00 57.50 53.19 1mjg n TRP 431 Cb 0.20 -2.22 0.15 0.00 -2.42 0.00 0.00 31.31 27.03 1mjg n TRP 431 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1mjg s SER 432 N 2.31 3.11 0.33 -0.99 1.04 -1.26 -4.27 113.70 113.97 1mjg s SER 432 Ca 0.44 1.18 0.05 0.00 0.48 0.00 0.00 55.95 58.09 1mjg s SER 432 Cb 0.06 -1.83 0.58 0.00 0.10 0.00 0.00 66.02 64.93 1mjg s SER 432 CO -0.00 -2.82 1.84 0.25 0.98 0.00 0.00 173.24 173.49 1mjg h LEU 433 N -1.68 0.46 -0.72 2.42 5.85 -1.92 -1.67 115.31 118.04 1mjg h LEU 433 Ca -0.52 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.11 1mjg h LEU 433 Cb 1.32 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1mjg h LEU 433 CO 0.58 0.58 0.48 -0.33 -0.34 0.00 0.00 178.44 179.41 1mjg h GLU 434 N 0.45 0.93 -0.42 1.25 3.07 -1.91 0.16 114.58 118.11 1mjg h GLU 434 Ca 0.09 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1mjg h GLU 434 Cb 0.42 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1mjg h GLU 434 CO 0.02 0.62 -0.02 0.00 -1.40 0.00 0.00 179.01 178.23 1mjg h ALA 435 N 1.28 0.57 -0.74 3.43 0.00 -1.67 -0.85 119.26 121.27 1mjg h ALA 435 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1mjg h ALA 435 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1mjg h ALA 435 CO -0.07 0.38 0.30 -0.07 0.00 0.00 0.00 179.25 179.79 1mjg h LEU 436 N 0.59 1.02 -0.59 0.00 3.38 -0.95 -1.37 115.31 117.39 1mjg h LEU 436 Ca 0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1mjg h LEU 436 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1mjg h LEU 436 CO 0.03 0.91 0.22 0.74 0.09 0.00 0.00 178.44 180.42 1mjg h THR 437 N 1.06 1.23 -0.90 0.22 2.02 -0.45 -0.15 112.91 115.94 1mjg h THR 437 Ca 0.25 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1mjg h THR 437 Cb 0.20 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1mjg h THR 437 CO -0.02 0.28 0.49 0.50 0.37 0.00 0.00 175.52 177.14 1mjg h LYS 438 N 0.82 1.26 -0.06 6.66 1.63 -0.86 0.10 116.57 126.12 1mjg h LYS 438 Ca 0.19 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1mjg h LYS 438 Cb 0.23 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1mjg h LYS 438 CO -0.01 0.92 0.02 1.25 -3.45 0.00 0.00 179.45 178.18 1mjg h LEU 439 N 1.26 0.09 -1.33 5.20 5.85 -0.69 -2.86 115.31 122.83 1mjg h LEU 439 Ca 0.32 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1mjg h LEU 439 Cb 0.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1mjg h LEU 439 CO -0.05 0.25 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.90 1mjg h LEU 440 N -0.08 0.00 -2.39 2.25 3.38 -0.79 -2.75 115.31 114.94 1mjg h LEU 440 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1mjg h LEU 440 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1mjg h LEU 440 CO -0.00 0.33 -0.03 0.00 0.09 0.00 0.00 178.44 178.83 1mjg h ALA 441 N 1.67 1.14 0.00 1.53 0.00 -0.55 -1.58 119.26 121.46 1mjg h ALA 441 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mjg h ALA 441 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mjg h ALA 441 CO 0.04 0.03 0.00 1.79 0.00 0.00 0.00 179.25 181.12 1mjg h THR 442 N 0.00 0.00 0.00 0.00 1.35 -1.46 -2.07 112.91 110.73 1mjg h THR 442 Ca -0.00 -0.29 -0.37 0.00 -0.55 0.00 0.00 66.41 65.20 1mjg h THR 442 Cb 0.17 1.12 -0.07 0.00 -1.73 0.00 0.00 68.15 67.64 1mjg h THR 442 CO 0.00 0.00 -2.40 0.00 -0.25 0.00 0.00 175.52 172.87 1mjg n GLN 443 N -2.61 0.69 -3.37 4.72 1.13 -0.63 -4.87 117.38 112.45 1mjg n GLN 443 Ca 0.01 0.09 -0.18 0.00 -1.94 0.00 0.00 57.00 54.98 1mjg n GLN 443 Cb 0.23 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.99 1mjg n GLN 443 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1mjg s ASN 444 N -6.07 1.34 0.40 1.08 3.84 -1.02 -5.02 114.94 109.50 1mjg s ASN 444 Ca -0.25 -1.47 0.13 0.00 0.21 0.00 0.00 52.86 51.48 1mjg s ASN 444 Cb 0.08 0.50 0.82 0.00 -0.55 0.00 0.00 41.25 42.10 1mjg s ASN 444 CO 0.66 -0.28 1.89 0.00 -2.79 0.00 0.00 177.10 176.58 1mjg h ALA 445 N 7.26 1.50 -0.36 1.71 0.00 -1.65 -2.10 119.26 125.62 1mjg h ALA 445 Ca 0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1mjg h ALA 445 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1mjg h ALA 445 CO 0.23 0.38 -0.34 1.96 0.00 0.00 0.00 179.25 181.47 1mjg h GLN 446 N 0.01 0.86 -2.14 0.00 7.50 -1.95 -3.39 115.11 116.00 1mjg h GLN 446 Ca -0.00 -0.45 -0.55 0.00 0.50 0.00 0.00 58.65 58.15 1mjg h GLN 446 Cb 0.53 0.01 -0.37 0.00 0.05 0.00 0.00 27.48 27.71 1mjg h GLN 446 CO 0.04 1.09 -0.98 -1.71 -1.50 0.00 0.00 178.83 175.77 1mjg n ASN 447 N -4.14 -0.51 -0.19 1.46 2.85 -1.16 -5.03 115.26 108.55 1mjg n ASN 447 Ca -0.03 -2.51 -0.04 0.00 -0.11 0.00 0.00 54.58 51.89 1mjg n ASN 447 Cb 0.51 -0.41 0.02 0.00 1.24 0.00 0.00 39.78 41.14 1mjg n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1mjg h PRO 448 N 5.10 -0.14 -0.04 1.20 0.11 -1.59 -1.35 132.00 135.29 1mjg h PRO 448 Ca 0.19 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.33 1mjg h PRO 448 Cb 0.91 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1mjg h PRO 448 CO 0.38 -0.09 0.05 0.97 -0.21 0.00 0.00 178.00 179.10 1mjg h ILE 449 N -0.14 0.51 -0.00 4.15 6.09 -1.91 -1.32 117.51 124.88 1mjg h ILE 449 Ca 0.24 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.72 1mjg h ILE 449 Cb 0.53 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 38.78 1mjg h ILE 449 CO -0.65 0.00 -0.03 -0.09 -3.07 0.00 0.00 178.15 174.31 1mjg h ARG 450 N 0.00 0.00 -0.84 2.19 9.65 -1.61 -1.65 114.38 122.12 1mjg h ARG 450 Ca 0.02 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1mjg h ARG 450 Cb 0.12 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 1mjg h ARG 450 CO -0.00 0.03 0.54 0.28 2.80 0.00 0.00 179.97 183.62 1mjg h VAL 451 N 0.00 1.14 -0.02 0.20 2.07 -1.34 0.32 116.25 118.63 1mjg h VAL 451 Ca 0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1mjg h VAL 451 Cb 0.05 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1mjg h VAL 451 CO 0.00 0.19 -0.06 0.25 0.02 0.00 0.00 177.57 177.98 1mjg h LEU 452 N 1.05 0.08 -0.35 2.57 5.85 -1.49 -2.91 115.31 120.11 1mjg h LEU 452 Ca 0.33 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1mjg h LEU 452 Cb -0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1mjg h LEU 452 CO -0.11 0.71 0.16 0.78 -0.34 0.00 0.00 178.44 179.64 1mjg h ASN 453 N -0.54 0.22 -0.69 1.25 2.35 -1.08 -2.54 115.58 114.54 1mjg h ASN 453 Ca -0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1mjg h ASN 453 Cb 0.71 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1mjg h ASN 453 CO 0.01 0.17 0.36 -0.61 -1.65 0.00 0.00 177.43 175.71 1mjg h GLN 454 N 0.33 1.00 -0.10 0.81 5.75 -0.46 0.82 115.11 123.27 1mjg h GLN 454 Ca 0.15 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1mjg h GLN 454 Cb 0.08 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1mjg h GLN 454 CO -0.12 0.76 -0.15 0.00 -2.65 0.00 0.00 178.83 176.66 1mjg h ALA 455 N 1.39 1.57 0.04 3.38 0.00 -1.27 0.33 119.26 124.71 1mjg h ALA 455 Ca 0.25 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1mjg h ALA 455 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mjg h ALA 455 CO -0.04 0.31 -0.53 0.82 0.00 0.00 0.00 179.25 179.82 1mjg h ILE 456 N 0.14 1.51 -0.71 0.00 2.04 -0.89 0.57 117.51 120.17 1mjg h ILE 456 Ca 0.03 -2.20 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 1mjg h ILE 456 Cb 0.36 2.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 1mjg h ILE 456 CO 0.02 0.62 0.37 -0.07 0.00 0.00 0.00 178.15 179.09 1mjg h LEU 457 N -0.35 0.89 -0.99 1.44 3.38 -0.50 -2.29 115.31 116.90 1mjg h LEU 457 Ca -0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1mjg h LEU 457 Cb 1.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1mjg h LEU 457 CO 0.10 0.74 0.00 0.44 0.09 0.00 0.00 178.44 179.81 1mjg h ASP 458 N 1.00 0.00 0.00 -0.43 3.32 -0.40 -3.46 116.42 116.44 1mjg h ASP 458 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1mjg h ASP 458 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1mjg h ASP 458 CO -0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 1mjg n GLY 459 N 0.26 0.64 0.24 2.75 0.00 -0.86 -4.95 105.19 103.28 1mjg n GLY 459 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1mjg n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mjg h GLU 460 N 4.52 0.69 -6.86 1.61 4.81 -1.17 -3.44 114.58 114.74 1mjg h GLU 460 Ca 0.00 -0.36 -0.69 0.00 -0.13 0.00 0.00 59.36 58.18 1mjg h GLU 460 Cb 0.00 0.01 -0.23 0.00 0.63 0.00 0.00 28.75 29.16 1mjg h GLU 460 CO 0.00 0.97 -0.87 -0.51 -0.73 0.00 0.00 179.01 177.87 1mjg s LEU 461 N -8.64 2.33 0.39 1.64 1.43 -0.42 -3.97 118.68 111.43 1mjg s LEU 461 Ca -0.09 -0.70 0.22 0.00 -1.03 0.00 0.00 54.13 52.53 1mjg s LEU 461 Cb 0.12 -1.26 0.26 0.00 0.03 0.00 0.00 46.19 45.34 1mjg s LEU 461 CO 0.84 0.19 1.50 0.00 0.23 0.00 0.00 176.35 179.12 1mjg h ALA 462 N 4.04 0.89 0.00 4.21 0.00 -1.09 -3.39 119.26 123.92 1mjg h ALA 462 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1mjg h ALA 462 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mjg h ALA 462 CO 0.40 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1mjg n GLY 463 N 1.12 0.32 3.29 0.00 0.00 -1.26 -4.70 105.19 103.97 1mjg n GLY 463 Ca 0.03 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1mjg n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjg s VAL 464 N -2.94 1.94 -0.04 1.61 1.01 -0.53 -1.31 120.40 120.15 1mjg s VAL 464 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1mjg s VAL 464 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1mjg s VAL 464 CO 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 175.10 175.52 1mjg s ALA 465 N -0.66 0.57 -0.22 5.51 0.00 -0.73 -1.36 121.76 124.87 1mjg s ALA 465 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 1mjg s ALA 465 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1mjg s ALA 465 CO 0.00 0.00 0.10 -1.17 0.00 0.00 0.00 175.76 174.69 1mjg s LEU 466 N 0.79 3.79 -0.30 0.00 2.96 -0.17 -1.19 118.68 124.56 1mjg s LEU 466 Ca -0.10 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1mjg s LEU 466 Cb -0.13 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.58 1mjg s LEU 466 CO -0.00 0.07 0.06 -0.63 -1.32 0.00 0.00 176.35 174.53 1mjg s ILE 467 N 0.98 3.73 0.40 6.68 -1.09 0.15 -0.54 121.20 131.51 1mjg s ILE 467 Ca 0.05 -0.85 0.04 0.00 -2.23 0.00 0.00 60.65 57.65 1mjg s ILE 467 Cb -0.14 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1mjg s ILE 467 CO 0.03 0.04 0.06 0.00 -1.23 0.00 0.00 174.94 173.85 1mjg n GLY 469 N -0.92 3.66 0.00 0.00 0.00 -1.26 -3.69 105.19 102.98 1mjg n GLY 469 Ca -0.07 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1mjg n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ASN 471 N 0.00 1.58 -4.60 0.00 3.02 -1.07 -4.39 115.26 109.80 1mjg n ASN 471 Ca 0.00 -2.99 -0.43 0.00 -0.03 0.00 0.00 54.58 51.13 1mjg n ASN 471 Cb 0.00 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1mjg n ASN 471 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1mjg s ASN 472 N -1.69 6.47 0.00 6.41 3.84 -0.32 -4.65 114.94 124.99 1mjg s ASN 472 Ca 0.37 0.59 0.02 0.00 0.21 0.00 0.00 52.86 54.04 1mjg s ASN 472 Cb 0.16 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.41 1mjg s ASN 472 CO -0.07 -1.37 0.52 0.18 -2.79 0.00 0.00 177.10 173.58 1mjg n LEU 473 N 8.38 0.00 0.26 3.21 4.77 -1.26 -2.02 117.00 130.34 1mjg n LEU 473 Ca 0.14 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1mjg n LEU 473 Cb 0.49 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.31 1mjg n LEU 473 CO 0.71 0.00 0.99 0.11 -1.33 0.00 0.00 177.39 177.87 1mjg h LYS 474 N 0.00 0.00 -6.53 3.23 1.57 -1.90 -3.41 116.57 109.53 1mjg h LYS 474 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1mjg h LYS 474 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 1mjg h LYS 474 CO 0.00 0.11 -0.82 0.20 -0.57 0.00 0.00 179.45 178.37 1mjg s GLY 475 N -4.19 1.66 0.24 3.86 0.00 -0.86 -1.81 107.32 106.23 1mjg s GLY 475 Ca -0.03 -1.61 -0.31 0.00 0.00 0.00 0.00 44.72 42.77 1mjg s GLY 475 CO 0.59 -1.64 1.65 0.69 0.00 0.00 0.00 173.10 174.39 1mjg n PHE 476 N 0.30 2.74 -1.68 1.90 3.01 -1.26 -4.80 117.46 117.67 1mjg n PHE 476 Ca -0.13 0.16 -0.56 0.00 1.01 0.00 0.00 57.45 57.93 1mjg n PHE 476 Cb 0.56 -2.63 -0.07 0.00 -0.01 0.00 0.00 39.48 37.34 1mjg n PHE 476 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1mjg n GLN 477 N 3.10 1.21 -0.25 -1.08 7.27 0.51 -1.61 117.38 126.52 1mjg n GLN 477 Ca 0.13 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.64 1mjg n GLN 477 Cb 0.35 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 30.88 1mjg n GLN 477 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1mjg n ASP 478 N 4.71 0.00 -0.20 1.69 8.00 -1.26 -2.18 116.55 127.31 1mjg n ASP 478 Ca 0.24 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.67 1mjg n ASP 478 Cb 0.15 -0.75 0.02 0.00 -0.02 0.00 0.00 41.12 40.52 1mjg n ASP 478 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1mjg h ASN 479 N 0.00 0.74 -0.07 -2.24 -1.24 -1.68 -1.26 115.58 109.84 1mjg h ASN 479 Ca 0.00 -0.14 -0.18 0.00 0.71 0.00 0.00 56.30 56.69 1mjg h ASN 479 Cb 0.00 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 1mjg h ASN 479 CO 0.00 0.68 -0.59 0.28 -1.29 0.00 0.00 177.43 176.51 1mjg h SER 480 N 0.76 0.75 -0.26 1.15 0.02 -1.90 -1.36 113.55 112.71 1mjg h SER 480 Ca 0.19 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1mjg h SER 480 Cb 0.15 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1mjg h SER 480 CO -0.02 1.18 0.13 0.45 -1.14 0.00 0.00 176.83 177.43 1mjg h HIS 481 N 0.50 0.37 -0.07 3.45 3.86 -1.86 -1.64 115.15 119.77 1mjg h HIS 481 Ca -0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1mjg h HIS 481 Cb 1.17 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1mjg h HIS 481 CO 0.06 0.34 0.01 -0.07 0.86 0.00 0.00 177.93 179.13 1mjg h LEU 482 N 0.30 0.12 -0.43 2.43 -0.00 -1.22 -1.43 115.31 115.08 1mjg h LEU 482 Ca 0.09 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 1mjg h LEU 482 Cb 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 1mjg h LEU 482 CO -0.01 0.36 0.22 0.74 -0.00 0.00 0.00 178.44 179.75 1mjg h THR 483 N -0.13 1.17 -0.28 0.22 2.02 -1.26 -0.48 112.91 114.17 1mjg h THR 483 Ca 0.02 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1mjg h THR 483 Cb 0.30 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1mjg h THR 483 CO 0.00 0.18 0.11 0.58 0.37 0.00 0.00 175.52 176.77 1mjg h VAL 484 N 0.56 1.18 -0.16 3.16 2.07 -1.31 -2.23 116.25 119.51 1mjg h VAL 484 Ca 0.15 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1mjg h VAL 484 Cb 0.09 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1mjg h VAL 484 CO -0.02 0.19 0.07 0.24 0.02 0.00 0.00 177.57 178.07 1mjg h MET 485 N 0.31 0.24 -0.65 1.57 2.07 -1.09 -1.83 114.93 115.55 1mjg h MET 485 Ca 0.09 -0.04 0.04 0.00 -2.07 0.00 0.00 59.70 57.72 1mjg h MET 485 Cb 0.19 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 29.83 1mjg h MET 485 CO -0.01 0.30 0.40 0.87 1.07 0.00 0.00 176.91 179.54 1mjg h LYS 486 N 0.12 0.74 -0.26 1.72 1.57 -1.07 0.39 116.57 119.78 1mjg h LYS 486 Ca 0.06 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1mjg h LYS 486 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1mjg h LYS 486 CO -0.01 0.49 -0.27 1.49 -0.57 0.00 0.00 179.45 180.58 1mjg h GLU 487 N 0.77 0.51 -0.12 3.15 4.57 -1.29 -0.85 114.58 121.31 1mjg h GLU 487 Ca 0.27 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1mjg h GLU 487 Cb 0.06 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1mjg h GLU 487 CO -0.12 0.74 -0.43 -0.07 -1.18 0.00 0.00 179.01 177.94 1mjg h LEU 488 N 0.45 0.59 -0.40 1.64 3.38 -0.90 -2.57 115.31 117.50 1mjg h LEU 488 Ca 0.06 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.43 1mjg h LEU 488 Cb 0.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1mjg h LEU 488 CO 0.05 1.10 0.24 -0.07 0.09 0.00 0.00 178.44 179.85 1mjg h LEU 489 N 0.11 0.38 -1.96 1.67 3.38 -0.84 -0.79 115.31 117.26 1mjg h LEU 489 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1mjg h LEU 489 Cb 1.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1mjg h LEU 489 CO 0.09 0.28 0.16 0.50 0.09 0.00 0.00 178.44 179.56 1mjg h LYS 490 N 0.48 0.05 -0.72 1.13 3.64 -1.01 -1.23 116.57 118.90 1mjg h LYS 490 Ca 0.16 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 1mjg h LYS 490 Cb 0.00 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 1mjg h LYS 490 CO -0.07 0.03 0.18 0.09 -2.27 0.00 0.00 179.45 177.42 1mjg n ASN 491 N -4.48 5.00 -2.60 4.20 3.02 -0.39 -3.80 115.26 116.22 1mjg n ASN 491 Ca 0.02 -3.08 -0.18 0.00 -0.03 0.00 0.00 54.58 51.31 1mjg n ASN 491 Cb 0.28 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 38.77 1mjg n ASN 491 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1mjg n ASN 492 N 0.11 -5.25 -4.77 6.41 3.02 -0.55 -4.41 115.26 109.81 1mjg n ASN 492 Ca 0.35 -0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 1mjg n ASN 492 Cb 1.30 -4.00 -0.07 0.00 -0.61 0.00 0.00 39.78 36.41 1mjg n ASN 492 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mjg s VAL 493 N -3.12 5.24 -0.39 2.41 1.01 -0.68 -0.64 120.40 124.23 1mjg s VAL 493 Ca 0.32 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1mjg s VAL 493 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1mjg s VAL 493 CO 0.40 0.46 1.16 0.12 0.00 0.00 0.00 175.10 177.24 1mjg s PHE 494 N -0.12 2.89 -0.23 5.22 5.36 -0.42 -4.49 117.98 126.19 1mjg s PHE 494 Ca 0.19 0.91 -0.09 0.00 -0.96 0.00 0.00 56.93 56.98 1mjg s PHE 494 Cb -0.14 -4.08 -0.04 0.00 -0.34 0.00 0.00 43.02 38.42 1mjg s PHE 494 CO 0.07 -1.21 0.12 0.08 -1.46 0.00 0.00 175.22 172.83 1mjg s VAL 495 N 4.22 5.07 0.10 3.12 1.01 -1.26 -1.78 120.40 130.88 1mjg s VAL 495 Ca 0.49 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.63 1mjg s VAL 495 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1mjg s VAL 495 CO 0.24 0.37 -0.18 0.68 0.00 0.00 0.00 175.10 176.21 1mjg s VAL 496 N 1.00 2.83 0.05 2.92 -7.23 -0.34 -1.18 120.40 118.46 1mjg s VAL 496 Ca 0.06 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1mjg s VAL 496 Cb -0.14 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1mjg s VAL 496 CO 0.04 0.15 0.09 0.00 -0.31 0.00 0.00 175.10 175.08 1mjg s ALA 497 N -1.09 0.01 0.26 1.32 0.00 -0.09 -0.67 121.76 121.50 1mjg s ALA 497 Ca 0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1mjg s ALA 497 Cb -0.11 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1mjg s ALA 497 CO 0.09 -0.38 0.29 0.95 0.00 0.00 0.00 175.76 176.71 1mjg s THR 498 N -3.23 0.00 0.00 0.00 -4.23 -0.72 -0.57 115.64 106.89 1mjg s THR 498 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1mjg s THR 498 Cb 0.02 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1mjg s THR 498 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1mjg n GLY 499 N -0.42 1.43 0.29 3.99 0.00 -0.47 -1.62 105.19 108.39 1mjg n GLY 499 Ca 0.02 -0.51 0.19 0.00 0.00 0.00 0.00 46.02 45.72 1mjg n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg h SER 501 N 0.00 0.81 -0.19 0.00 0.87 -1.36 -0.56 113.55 113.12 1mjg h SER 501 Ca 0.00 -0.54 -0.11 0.00 -1.23 0.00 0.00 61.79 59.91 1mjg h SER 501 Cb 0.27 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1mjg h SER 501 CO 0.00 1.20 -0.26 0.00 -0.53 0.00 0.00 176.83 177.24 1mjg h ALA 502 N 0.63 0.92 -0.27 6.23 0.00 -0.32 -2.32 119.26 124.14 1mjg h ALA 502 Ca 0.01 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1mjg h ALA 502 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1mjg h ALA 502 CO 0.10 0.62 -0.19 1.96 0.00 0.00 0.00 179.25 181.74 1mjg h GLN 503 N 0.58 0.48 -0.53 0.00 4.20 -1.13 0.39 115.11 119.10 1mjg h GLN 503 Ca 0.08 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1mjg h GLN 503 Cb 0.75 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1mjg h GLN 503 CO 0.06 0.65 0.19 0.00 -0.67 0.00 0.00 178.83 179.06 1mjg h ALA 504 N 1.37 0.70 -0.21 3.87 0.00 -0.75 0.82 119.26 125.05 1mjg h ALA 504 Ca 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mjg h ALA 504 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mjg h ALA 504 CO 0.04 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.74 1mjg h ALA 505 N 1.04 0.27 0.12 0.00 0.00 -0.89 -2.10 119.26 117.71 1mjg h ALA 505 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mjg h ALA 505 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1mjg h ALA 505 CO -0.01 -0.19 -0.07 0.78 0.00 0.00 0.00 179.25 179.76 1mjg h GLY 506 N 0.24 -0.18 1.31 0.00 0.00 -0.59 0.21 103.07 104.05 1mjg h GLY 506 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1mjg h GLY 506 CO -0.01 -0.08 0.44 0.50 0.00 0.00 0.00 176.54 177.39 1mjg h LYS 507 N -0.18 0.92 -0.61 4.80 1.57 -0.82 -3.14 116.57 119.10 1mjg h LYS 507 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 507 Cb 0.15 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1mjg h LYS 507 CO 0.01 0.62 0.00 1.28 -0.57 0.00 0.00 179.45 180.80 1mjg n LEU 508 N -4.42 4.58 0.00 2.94 4.77 -0.79 -4.42 117.00 119.67 1mjg n LEU 508 Ca 0.07 -2.44 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 1mjg n LEU 508 Cb 0.05 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1mjg n LEU 508 CO 0.36 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 1mjg n GLY 509 N 1.02 0.74 0.00 -0.72 0.00 -0.76 -4.95 105.19 100.52 1mjg n GLY 509 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 1mjg n GLY 509 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mjg n LEU 510 N 0.00 0.00 -0.98 0.99 4.77 0.66 -2.42 117.00 120.02 1mjg n LEU 510 Ca 0.00 0.13 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1mjg n LEU 510 Cb 0.00 -0.13 0.24 0.00 -2.33 0.00 0.00 43.42 41.20 1mjg n LEU 510 CO 0.00 -0.02 0.70 0.18 -1.33 0.00 0.00 177.39 176.93 1mjg n LEU 511 N -1.13 3.67 -4.53 2.23 4.77 -1.21 -2.41 117.00 118.40 1mjg n LEU 511 Ca 0.17 -2.35 -0.39 0.00 -0.03 0.00 0.00 56.01 53.41 1mjg n LEU 511 Cb 0.15 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1mjg n LEU 511 CO 0.18 0.76 -0.16 -0.62 -1.33 0.00 0.00 177.39 176.22 1mjg s ASP 512 N -1.20 5.93 0.58 -1.43 -1.08 -1.02 -1.40 116.67 117.05 1mjg s ASP 512 Ca 0.36 -0.32 0.29 0.00 -0.52 0.00 0.00 52.55 52.37 1mjg s ASP 512 Cb 0.23 -2.10 1.45 0.00 -1.46 0.00 0.00 42.92 41.04 1mjg s ASP 512 CO 0.18 -0.17 1.86 -0.65 0.52 0.00 0.00 175.17 176.90 1mjg h PRO 513 N 8.42 0.00 0.00 4.34 0.11 -1.86 0.16 132.00 143.17 1mjg h PRO 513 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1mjg h PRO 513 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1mjg h PRO 513 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 1mjg h ALA 514 N 1.42 1.00 -0.58 -0.75 0.00 -1.89 -2.79 119.26 115.68 1mjg h ALA 514 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mjg h ALA 514 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1mjg h ALA 514 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1mjg n ASN 515 N -2.71 3.61 -0.35 0.00 3.02 0.57 -4.35 115.26 115.05 1mjg n ASN 515 Ca -0.00 -1.99 -0.03 0.00 -0.03 0.00 0.00 54.58 52.53 1mjg n ASN 515 Cb 0.17 -0.39 0.10 0.00 -0.61 0.00 0.00 39.78 39.05 1mjg n ASN 515 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1mjg h VAL 516 N 4.20 1.24 -0.58 2.41 2.07 -1.63 -2.29 116.25 121.67 1mjg h VAL 516 Ca 0.00 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1mjg h VAL 516 Cb 0.95 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1mjg h VAL 516 CO 0.00 0.23 -0.01 -0.33 0.02 0.00 0.00 177.57 177.48 1mjg h GLU 517 N 1.27 1.01 0.00 1.57 4.39 -1.83 -1.25 114.58 119.75 1mjg h GLU 517 Ca 0.34 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1mjg h GLU 517 Cb -0.14 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1mjg h GLU 517 CO -0.08 1.00 -0.09 1.79 -1.16 0.00 0.00 179.01 180.47 1mjg h THR 518 N 0.92 0.17 0.00 1.13 1.35 -1.72 -3.39 112.91 111.38 1mjg h THR 518 Ca 0.17 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.00 1mjg h THR 518 Cb 0.55 1.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1mjg h THR 518 CO 0.03 0.09 -1.08 -1.22 -0.25 0.00 0.00 175.52 173.08 1mjg n TYR 519 N -3.15 0.00 -2.72 4.73 0.53 -0.90 -5.06 117.16 110.58 1mjg n TYR 519 Ca 0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.49 1mjg n TYR 519 Cb 0.47 -0.06 -0.05 0.00 -1.03 0.00 0.00 39.34 38.67 1mjg n TYR 519 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1mjg s GLY 521 N -0.43 1.58 0.32 0.00 0.00 -0.69 -4.62 107.32 103.49 1mjg s GLY 521 Ca 0.45 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.99 1mjg s GLY 521 CO 0.31 0.38 1.92 -0.55 0.00 0.00 0.00 173.10 175.16 1mjg h ASP 522 N -1.92 0.81 0.46 1.64 3.32 -1.91 0.21 116.42 119.03 1mjg h ASP 522 Ca -0.54 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 1mjg h ASP 522 Cb 1.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1mjg h ASP 522 CO 0.55 0.51 -0.22 1.23 -1.72 0.00 0.00 179.24 179.59 1mjg h GLY 523 N 0.92 -0.65 0.96 2.75 0.00 -1.92 -0.43 103.07 104.70 1mjg h GLY 523 Ca 0.37 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.94 1mjg h GLY 523 CO -0.14 -0.24 0.09 -2.00 0.00 0.00 0.00 176.54 174.25 1mjg h LEU 524 N -0.76 0.18 -0.50 3.11 5.85 -1.63 -1.00 115.31 120.55 1mjg h LEU 524 Ca -0.06 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.68 1mjg h LEU 524 Cb 0.54 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1mjg h LEU 524 CO 0.10 0.18 0.14 0.50 -0.34 0.00 0.00 178.44 179.02 1mjg h LYS 525 N 0.16 0.29 -0.73 1.25 3.64 -0.96 0.31 116.57 120.53 1mjg h LYS 525 Ca 0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1mjg h LYS 525 Cb 0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1mjg h LYS 525 CO -0.01 0.19 0.34 0.78 -2.27 0.00 0.00 179.45 178.49 1mjg h GLY 526 N 0.30 1.14 0.97 5.01 0.00 -0.85 -0.10 103.07 109.53 1mjg h GLY 526 Ca 0.25 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1mjg h GLY 526 CO -0.28 0.54 0.20 -2.75 0.00 0.00 0.00 176.54 174.25 1mjg h PHE 527 N 1.03 0.50 -0.19 5.60 3.57 0.16 -1.83 116.94 125.78 1mjg h PHE 527 Ca 0.25 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1mjg h PHE 527 Cb 0.13 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1mjg h PHE 527 CO 0.01 0.39 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.06 1mjg h LEU 528 N 0.46 0.41 -0.14 0.59 3.38 -0.19 -2.46 115.31 117.36 1mjg h LEU 528 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 528 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1mjg h LEU 528 CO -0.02 0.74 0.06 0.11 0.09 0.00 0.00 178.44 179.42 1mjg h LYS 529 N 0.34 0.21 -0.52 1.13 1.79 -0.74 -1.20 116.57 117.59 1mjg h LYS 529 Ca 0.04 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1mjg h LYS 529 Cb 0.78 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.35 1mjg h LYS 529 CO 0.06 0.29 0.25 0.00 -1.08 0.00 0.00 179.45 178.97 1mjg h ARG 530 N 0.08 0.47 -0.40 3.15 3.08 -1.22 -0.80 114.38 118.74 1mjg h ARG 530 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1mjg h ARG 530 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1mjg h ARG 530 CO -0.00 0.31 0.16 -0.07 -1.07 0.00 0.00 179.97 179.30 1mjg h LEU 531 N 0.48 0.54 -0.49 3.04 3.38 -1.33 -2.79 115.31 118.15 1mjg h LEU 531 Ca 0.23 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1mjg h LEU 531 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1mjg h LEU 531 CO -0.18 0.56 0.06 1.23 0.09 0.00 0.00 178.44 180.20 1mjg h GLY 532 N 0.50 0.88 1.78 0.83 0.00 -0.79 -2.48 103.07 103.78 1mjg h GLY 532 Ca 0.13 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1mjg h GLY 532 CO -0.01 0.56 -0.37 1.05 0.00 0.00 0.00 176.54 177.76 1mjg h GLU 533 N 0.69 0.25 -0.47 4.80 4.11 -1.16 -2.95 114.58 119.84 1mjg h GLU 533 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1mjg h GLU 533 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1mjg h GLU 533 CO 0.01 0.60 0.00 0.41 0.07 0.00 0.00 179.01 180.10 1mjg n GLY 534 N -0.26 1.64 0.01 1.06 0.00 -1.05 -4.19 105.19 102.39 1mjg n GLY 534 Ca -0.01 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.40 1mjg n GLY 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 535 N 1.27 2.48 -2.71 4.61 0.00 -0.94 -4.82 120.51 120.39 1mjg n ALA 535 Ca 0.20 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1mjg n ALA 535 Cb 0.53 -0.46 0.05 0.00 0.00 0.00 0.00 19.45 19.57 1mjg n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mjg n ASN 536 N -2.01 -2.24 -3.81 0.00 3.02 -1.18 -5.01 115.26 104.03 1mjg n ASN 536 Ca -0.03 -0.33 -0.30 0.00 -0.03 0.00 0.00 54.58 53.89 1mjg n ASN 536 Cb 0.39 -2.91 -0.14 0.00 -0.61 0.00 0.00 39.78 36.52 1mjg n ASN 536 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mjg s ILE 537 N -3.19 1.81 0.30 2.41 1.01 -1.25 -5.00 121.20 117.30 1mjg s ILE 537 Ca 0.02 -2.71 0.04 0.00 0.00 0.00 0.00 60.65 58.00 1mjg s ILE 537 Cb -0.00 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.27 1mjg s ILE 537 CO 0.38 -0.83 1.76 -0.08 0.00 0.00 0.00 174.94 176.17 1mjg h GLU 538 N 6.81 0.42 -1.01 2.79 4.81 -1.95 -2.64 114.58 123.82 1mjg h GLU 538 Ca -0.04 -0.15 0.28 0.00 -0.13 0.00 0.00 59.36 59.32 1mjg h GLU 538 Cb 0.93 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 1mjg h GLU 538 CO 0.55 0.63 0.71 0.97 -0.73 0.00 0.00 179.01 181.14 1mjg h ILE 539 N 0.38 0.51 0.00 2.32 2.10 -2.00 -3.47 117.51 117.36 1mjg h ILE 539 Ca 0.06 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.97 1mjg h ILE 539 Cb 0.61 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1mjg h ILE 539 CO 0.04 0.02 0.00 0.61 -1.08 0.00 0.00 178.15 177.74 1mjg n GLY 540 N -1.68 1.00 3.85 8.18 0.00 -1.00 -4.77 105.19 110.77 1mjg n GLY 540 Ca 0.22 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1mjg n GLY 540 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mjg s LEU 541 N -0.64 4.36 0.78 0.99 1.43 -1.26 -4.85 118.68 119.49 1mjg s LEU 541 Ca 0.00 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 1mjg s LEU 541 Cb 0.00 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1mjg s LEU 541 CO 0.00 0.36 1.10 -2.16 0.23 0.00 0.00 176.35 175.89 1mjg s PRO 542 N -0.78 2.25 0.13 1.29 0.04 -1.26 -4.36 135.00 132.31 1mjg s PRO 542 Ca 0.14 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1mjg s PRO 542 Cb -0.12 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1mjg s PRO 542 CO 0.03 -1.48 1.42 -1.35 0.04 0.00 0.00 177.00 175.66 1mjg h PRO 543 N -0.98 0.88 -5.65 0.56 0.11 -1.78 -3.43 132.00 121.70 1mjg h PRO 543 Ca -0.47 -0.55 -0.67 0.00 0.11 0.00 0.00 66.00 64.42 1mjg h PRO 543 Cb 1.27 0.06 -0.29 0.00 0.11 0.00 0.00 31.00 32.16 1mjg h PRO 543 CO 0.61 1.19 -0.82 0.08 -0.21 0.00 0.00 178.00 178.85 1mjg s VAL 544 N -4.15 2.61 -0.42 3.15 1.01 -1.01 -4.52 120.40 117.07 1mjg s VAL 544 Ca -0.11 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1mjg s VAL 544 Cb 0.10 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1mjg s VAL 544 CO 0.89 0.55 0.47 -0.36 0.00 0.00 0.00 175.10 176.66 1mjg s PHE 545 N 0.05 3.15 -0.46 5.22 0.40 -0.32 -4.69 117.98 121.32 1mjg s PHE 545 Ca -0.07 -0.28 -0.28 0.00 -0.60 0.00 0.00 56.93 55.69 1mjg s PHE 545 Cb -0.15 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.42 1mjg s PHE 545 CO 0.05 -0.72 1.51 -1.58 0.70 0.00 0.00 175.22 175.19 1mjg s HIS 546 N 2.26 2.21 -2.61 0.36 2.46 -1.26 -0.91 115.29 117.80 1mjg s HIS 546 Ca 0.14 0.61 0.26 0.00 0.47 0.00 0.00 55.06 56.54 1mjg s HIS 546 Cb -0.16 -4.29 0.75 0.00 -0.13 0.00 0.00 32.58 28.75 1mjg s HIS 546 CO 0.14 -2.16 1.57 -1.33 -2.47 0.00 0.00 174.74 170.50 1mjg n MET 547 N 8.40 1.90 0.00 2.88 2.81 0.27 -2.04 117.12 131.34 1mjg n MET 547 Ca 0.17 -1.31 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 1mjg n MET 547 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1mjg n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjg n GLY 548 N 1.23 0.58 2.63 3.03 0.00 -1.25 -4.72 105.19 106.70 1mjg n GLY 548 Ca 0.17 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 1mjg n GLY 548 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mjg n SER 549 N 0.00 -0.42 0.01 1.61 3.41 -1.26 -1.37 113.62 115.60 1mjg n SER 549 Ca 0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 1mjg n SER 549 Cb 0.00 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.19 1mjg n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mjg h VAL 551 N 0.05 0.78 0.00 0.00 -1.51 -1.94 0.87 116.25 114.51 1mjg h VAL 551 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 1mjg h VAL 551 Cb 0.02 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1mjg h VAL 551 CO -0.04 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.77 1mjg n ASP 552 N -4.24 0.00 0.31 4.19 9.92 -0.42 -1.20 116.55 125.11 1mjg n ASP 552 Ca -0.02 -0.38 0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1mjg n ASP 552 Cb 0.15 0.00 0.96 0.00 -0.64 0.00 0.00 41.12 41.59 1mjg n ASP 552 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1mjg h ASN 553 N 0.00 0.00 0.26 -2.24 2.35 -0.83 -0.10 115.58 115.02 1mjg h ASN 553 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1mjg h ASN 553 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1mjg h ASN 553 CO 0.00 0.00 -0.16 0.77 -1.65 0.00 0.00 177.43 176.39 1mjg h SER 554 N 0.00 0.00 -0.46 5.81 4.64 -1.37 -1.54 113.55 120.62 1mjg h SER 554 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1mjg h SER 554 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1mjg h SER 554 CO 0.00 0.16 -0.07 0.03 -0.87 0.00 0.00 176.83 176.08 1mjg h ARG 555 N 0.00 0.87 -0.31 4.77 3.08 -1.24 -1.51 114.38 120.05 1mjg h ARG 555 Ca -0.00 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1mjg h ARG 555 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1mjg h ARG 555 CO 0.02 0.95 0.10 0.00 -1.07 0.00 0.00 179.97 179.98 1mjg h ALA 556 N 0.89 1.60 -0.32 0.04 0.00 -1.34 -0.10 119.26 120.03 1mjg h ALA 556 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1mjg h ALA 556 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1mjg h ALA 556 CO 0.04 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.70 1mjg h VAL 557 N 0.44 1.29 -0.90 0.00 2.07 -1.04 -0.42 116.25 117.69 1mjg h VAL 557 Ca 0.11 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.38 1mjg h VAL 557 Cb 0.13 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1mjg h VAL 557 CO -0.01 0.42 0.59 0.44 0.02 0.00 0.00 177.57 179.03 1mjg h ASP 558 N 0.45 0.94 -0.54 0.57 3.32 -0.23 0.80 116.42 121.73 1mjg h ASP 558 Ca 0.07 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1mjg h ASP 558 Cb 0.72 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1mjg h ASP 558 CO 0.05 0.62 0.12 0.25 -1.72 0.00 0.00 179.24 178.56 1mjg h LEU 559 N 1.07 0.83 -0.55 1.55 5.85 -0.66 -0.67 115.31 122.73 1mjg h LEU 559 Ca 0.37 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1mjg h LEU 559 Cb 0.11 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1mjg h LEU 559 CO -0.13 0.86 0.27 0.25 -0.34 0.00 0.00 178.44 179.35 1mjg h LEU 560 N 0.77 0.72 -0.83 2.25 5.85 0.21 -1.15 115.31 123.13 1mjg h LEU 560 Ca 0.17 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1mjg h LEU 560 Cb 0.36 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1mjg h LEU 560 CO 0.00 0.64 -0.12 0.24 -0.34 0.00 0.00 178.44 178.87 1mjg h MET 561 N 0.75 0.75 -0.45 1.25 2.86 -0.66 -0.51 114.93 118.91 1mjg h MET 561 Ca 0.19 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1mjg h MET 561 Cb 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1mjg h MET 561 CO -0.02 0.84 0.21 0.00 1.06 0.00 0.00 176.91 178.99 1mjg h ALA 562 N 1.19 0.58 -0.30 6.32 0.00 -0.78 -1.01 119.26 125.26 1mjg h ALA 562 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mjg h ALA 562 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mjg h ALA 562 CO 0.04 0.16 0.16 0.52 0.00 0.00 0.00 179.25 180.13 1mjg h MET 563 N 0.59 0.42 -0.44 0.00 2.07 -0.88 -2.04 114.93 114.64 1mjg h MET 563 Ca 0.15 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1mjg h MET 563 Cb 0.14 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 1mjg h MET 563 CO -0.02 0.37 0.26 0.00 1.07 0.00 0.00 176.91 178.59 1mjg h ALA 564 N 1.03 0.56 -0.46 6.32 0.00 -0.92 -1.07 119.26 124.72 1mjg h ALA 564 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1mjg h ALA 564 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1mjg h ALA 564 CO -0.02 0.06 -0.03 -0.91 0.00 0.00 0.00 179.25 178.35 1mjg h ASN 565 N 0.58 0.76 -0.12 0.00 2.35 -1.12 -0.30 115.58 117.73 1mjg h ASN 565 Ca 0.16 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1mjg h ASN 565 Cb 0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1mjg h ASN 565 CO -0.03 0.84 -0.34 -0.78 -1.65 0.00 0.00 177.43 175.48 1mjg h ASP 566 N 0.73 0.64 1.17 5.81 -0.00 -1.11 -2.61 116.42 121.05 1mjg h ASP 566 Ca 0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 1mjg h ASP 566 Cb 0.49 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.64 1mjg h ASP 566 CO 0.02 0.92 0.00 0.18 -0.00 0.00 0.00 179.24 180.37 1mjg n LEU 567 N -4.06 0.38 -2.20 2.28 4.77 -0.43 -4.94 117.00 112.80 1mjg n LEU 567 Ca -0.01 0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1mjg n LEU 567 Cb 0.48 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1mjg n LEU 567 CO 0.45 -0.12 0.13 0.61 -1.33 0.00 0.00 177.39 177.13 1mjg n GLY 568 N 1.27 0.12 3.26 -0.72 0.00 -0.21 -5.04 105.19 103.86 1mjg n GLY 568 Ca 0.06 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1mjg n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mjg s VAL 569 N -3.16 0.05 0.63 1.61 -7.23 -0.66 -5.02 120.40 106.62 1mjg s VAL 569 Ca 0.32 -1.75 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1mjg s VAL 569 Cb -0.14 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1mjg s VAL 569 CO 0.40 -0.23 1.01 -0.62 -0.31 0.00 0.00 175.10 175.35 1mjg s ASP 570 N -3.06 5.97 0.47 4.85 3.68 -1.26 -4.39 116.67 122.94 1mjg s ASP 570 Ca 0.27 1.24 0.24 0.00 2.13 0.00 0.00 52.55 56.43 1mjg s ASP 570 Cb 0.05 -2.24 1.27 0.00 -1.45 0.00 0.00 42.92 40.55 1mjg s ASP 570 CO 0.05 -0.98 1.87 0.71 0.13 0.00 0.00 175.17 176.95 1mjg h THR 571 N -0.35 0.61 0.00 1.71 1.35 -1.90 -2.19 112.91 112.15 1mjg h THR 571 Ca -0.45 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1mjg h THR 571 Cb 1.21 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1mjg h THR 571 CO 0.62 0.04 0.00 -0.65 -0.25 0.00 0.00 175.52 175.29 1mjg h PRO 572 N 0.21 0.00 -0.02 4.72 0.11 -1.83 -1.47 132.00 133.72 1mjg h PRO 572 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1mjg h PRO 572 Cb 1.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1mjg h PRO 572 CO -0.10 0.00 -0.24 1.63 -0.21 0.00 0.00 178.00 179.07 1mjg n LYS 573 N -2.52 1.67 -3.00 1.05 5.02 -0.82 -4.94 118.16 114.62 1mjg n LYS 573 Ca -0.02 -1.34 -0.40 0.00 -2.02 0.00 0.00 58.31 54.53 1mjg n LYS 573 Cb 0.05 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 1mjg n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mjg s VAL 574 N -2.26 4.83 -1.14 -0.18 1.01 -0.56 -4.87 120.40 117.23 1mjg s VAL 574 Ca 0.24 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.60 1mjg s VAL 574 Cb 0.19 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1mjg s VAL 574 CO 0.45 0.33 1.93 -2.65 0.00 0.00 0.00 175.10 175.15 1mjg n PRO 575 N 3.09 2.13 -3.77 2.72 -0.02 -1.26 -4.81 135.00 133.08 1mjg n PRO 575 Ca -0.02 -2.52 -0.14 0.00 -2.02 0.00 0.00 63.50 58.80 1mjg n PRO 575 Cb 0.51 -3.40 -0.15 0.00 -0.02 0.00 0.00 33.50 30.44 1mjg n PRO 575 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1mjg s PHE 576 N 6.73 -0.08 0.03 6.00 5.36 -1.26 -1.45 117.98 133.31 1mjg s PHE 576 Ca 0.59 0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.90 1mjg s PHE 576 Cb 0.07 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.60 1mjg s PHE 576 CO 0.09 -0.12 -0.07 0.14 -1.46 0.00 0.00 175.22 173.79 1mjg s VAL 577 N 1.00 0.54 0.08 3.12 -7.23 -0.46 -4.12 120.40 113.33 1mjg s VAL 577 Ca -0.08 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1mjg s VAL 577 Cb -0.11 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1mjg s VAL 577 CO -0.04 -0.23 -0.01 0.00 -0.31 0.00 0.00 175.10 174.51 1mjg s ALA 578 N -1.02 3.26 -0.11 1.32 0.00 -0.62 -1.00 121.76 123.59 1mjg s ALA 578 Ca -0.06 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 1mjg s ALA 578 Cb -0.08 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.90 1mjg s ALA 578 CO 0.00 0.69 0.27 0.45 0.00 0.00 0.00 175.76 177.17 1mjg s SER 579 N -2.20 -0.29 -0.65 0.00 0.15 0.29 -0.40 113.70 110.60 1mjg s SER 579 Ca 0.25 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.50 1mjg s SER 579 Cb -0.12 0.47 0.17 0.00 -1.71 0.00 0.00 66.02 64.83 1mjg s SER 579 CO 0.17 -0.16 0.45 0.00 1.20 0.00 0.00 173.24 174.91 1mjg s ALA 580 N 1.08 3.39 0.35 5.45 0.00 0.66 -0.48 121.76 132.20 1mjg s ALA 580 Ca -0.08 -3.58 0.11 0.00 0.00 0.00 0.00 51.96 48.42 1mjg s ALA 580 Cb -0.09 -2.07 0.90 0.00 0.00 0.00 0.00 23.12 21.86 1mjg s ALA 580 CO -0.07 -2.07 1.80 -1.35 0.00 0.00 0.00 175.76 174.06 1mjg h PRO 581 N 5.52 0.58 -1.00 0.00 0.11 -1.81 0.30 132.00 135.70 1mjg h PRO 581 Ca 0.15 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.78 1mjg h PRO 581 Cb 0.79 -0.13 -0.41 0.00 0.11 0.00 0.00 31.00 31.35 1mjg h PRO 581 CO 0.66 0.39 -0.97 0.39 -0.21 0.00 0.00 178.00 178.26 1mjg n GLU 582 N -4.67 2.43 -1.65 1.05 1.02 -1.26 -3.58 120.64 113.98 1mjg n GLU 582 Ca 0.23 -3.86 -0.45 0.00 -0.02 0.00 0.00 57.16 53.05 1mjg n GLU 582 Cb 0.66 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1mjg n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mjg n ALA 583 N -0.42 0.64 0.09 0.62 0.00 -1.18 -1.18 120.51 119.08 1mjg n ALA 583 Ca 0.25 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1mjg n ALA 583 Cb 0.80 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1mjg n ALA 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1mjg n MET 584 N 1.47 0.00 -0.83 0.00 0.00 -1.26 -4.52 117.12 111.97 1mjg n MET 584 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.49 1mjg n MET 584 Cb 0.31 -0.03 0.15 0.00 0.00 0.00 0.00 33.22 33.65 1mjg n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1mjg s SER 585 N -5.04 3.29 0.41 6.12 1.04 -1.26 -4.90 113.70 113.35 1mjg s SER 585 Ca 0.00 2.09 0.14 0.00 0.48 0.00 0.00 55.95 58.66 1mjg s SER 585 Cb 0.00 -2.55 0.87 0.00 0.10 0.00 0.00 66.02 64.43 1mjg s SER 585 CO 0.00 -2.86 1.91 1.23 0.98 0.00 0.00 173.24 174.50 1mjg h GLY 586 N -1.70 0.00 1.01 7.32 0.00 -1.93 -2.10 103.07 105.67 1mjg h GLY 586 Ca -0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1mjg h GLY 586 CO 0.44 0.00 0.47 0.50 0.00 0.00 0.00 176.54 177.95 1mjg h LYS 587 N 0.00 1.08 -0.72 4.80 1.57 -1.83 -0.82 116.57 120.66 1mjg h LYS 587 Ca -0.00 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1mjg h LYS 587 Cb 0.50 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1mjg h LYS 587 CO 0.04 0.77 0.28 0.00 -0.57 0.00 0.00 179.45 179.97 1mjg h ALA 588 N 1.25 1.15 -0.17 3.86 0.00 -1.74 0.70 119.26 124.32 1mjg h ALA 588 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mjg h ALA 588 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1mjg h ALA 588 CO -0.05 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.90 1mjg h ALA 589 N 1.27 0.22 -0.51 0.00 0.00 -1.02 0.41 119.26 119.62 1mjg h ALA 589 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1mjg h ALA 589 Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mjg h ALA 589 CO -0.02 -0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.22 1mjg h ALA 590 N 0.97 0.67 -0.32 0.00 0.00 -0.81 -1.46 119.26 118.31 1mjg h ALA 590 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mjg h ALA 590 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mjg h ALA 590 CO -0.01 0.25 0.14 0.82 0.00 0.00 0.00 179.25 180.46 1mjg h ILE 591 N 0.69 1.17 -0.90 0.00 2.04 -0.71 -1.00 117.51 118.79 1mjg h ILE 591 Ca 0.17 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1mjg h ILE 591 Cb 0.16 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1mjg h ILE 591 CO -0.02 0.18 0.59 1.23 0.00 0.00 0.00 178.15 180.13 1mjg h GLY 592 N 0.37 1.28 0.97 5.37 0.00 -0.79 -1.80 103.07 108.48 1mjg h GLY 592 Ca 0.11 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1mjg h GLY 592 CO -0.01 0.41 -0.03 -0.84 0.00 0.00 0.00 176.54 176.08 1mjg h THR 593 N 1.16 1.27 0.00 4.70 2.02 -0.61 -2.66 112.91 118.78 1mjg h THR 593 Ca 0.35 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1mjg h THR 593 Cb -0.04 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1mjg h THR 593 CO -0.09 0.36 -0.26 4.11 0.37 0.00 0.00 175.52 180.01 1mjg h TRP 594 N 0.58 0.00 -0.27 3.16 5.08 -0.85 -1.82 115.95 121.83 1mjg h TRP 594 Ca 0.12 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.07 1mjg h TRP 594 Cb 0.52 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 1mjg h TRP 594 CO 0.04 0.26 0.12 -1.49 -1.28 0.00 0.00 178.44 176.09 1mjg h TRP 595 N 0.00 0.40 -0.51 0.12 -0.00 -1.14 0.21 115.95 115.03 1mjg h TRP 595 Ca -0.00 -0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1mjg h TRP 595 Cb 0.83 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 29.83 1mjg h TRP 595 CO 0.00 0.38 0.28 0.28 -0.00 0.00 0.00 178.44 179.38 1mjg h VAL 596 N 0.30 1.00 -0.63 1.49 2.07 -1.24 -1.71 116.25 117.54 1mjg h VAL 596 Ca 0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1mjg h VAL 596 Cb 0.14 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1mjg h VAL 596 CO -0.01 0.10 0.34 0.28 0.02 0.00 0.00 177.57 178.30 1mjg h SER 597 N 0.55 0.77 0.00 0.57 0.02 -0.84 -1.35 113.55 113.27 1mjg h SER 597 Ca 0.22 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1mjg h SER 597 Cb 0.08 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1mjg h SER 597 CO -0.13 0.63 0.00 0.18 -1.14 0.00 0.00 176.83 176.37 1mjg n LEU 598 N -4.38 0.00 0.00 5.07 4.77 0.70 -4.87 117.00 118.30 1mjg n LEU 598 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1mjg n LEU 598 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1mjg n LEU 598 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1mjg n GLY 599 N 0.48 0.51 3.48 -0.72 0.00 -0.52 -4.68 105.19 103.74 1mjg n GLY 599 Ca 0.00 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1mjg n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjg s VAL 600 N -2.00 3.14 0.17 1.61 1.01 -0.85 -3.59 120.40 119.89 1mjg s VAL 600 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1mjg s VAL 600 Cb 0.00 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1mjg s VAL 600 CO 0.00 0.58 1.50 -2.84 0.00 0.00 0.00 175.10 174.34 1mjg s PRO 601 N -0.60 4.25 -0.25 2.72 0.02 -1.26 -2.86 135.00 137.02 1mjg s PRO 601 Ca 0.09 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.39 1mjg s PRO 601 Cb -0.11 -3.17 0.07 0.00 0.02 0.00 0.00 34.50 31.31 1mjg s PRO 601 CO 0.01 -0.52 -0.02 0.99 -0.33 0.00 0.00 177.00 177.13 1mjg s THR 602 N 0.91 1.51 0.05 0.99 2.01 0.79 -1.59 115.64 120.31 1mjg s THR 602 Ca 0.67 -1.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 1mjg s THR 602 Cb -0.42 -1.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 1mjg s THR 602 CO 0.33 -0.23 0.74 -2.28 -0.69 0.00 0.00 174.62 172.49 1mjg s HIS 603 N 1.38 3.75 -0.11 4.92 5.04 0.46 -0.50 115.29 130.22 1mjg s HIS 603 Ca -0.02 1.45 0.01 0.00 -1.54 0.00 0.00 55.06 54.96 1mjg s HIS 603 Cb -0.19 -2.78 0.02 0.00 0.04 0.00 0.00 32.58 29.68 1mjg s HIS 603 CO -0.09 0.32 -0.11 0.08 -2.34 0.00 0.00 174.74 172.60 1mjg s VAL 604 N -0.22 1.26 -1.34 0.89 1.01 -0.57 -0.25 120.40 121.18 1mjg s VAL 604 Ca 0.37 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1mjg s VAL 604 Cb -0.20 -1.21 0.14 0.00 0.00 0.00 0.00 36.38 35.11 1mjg s VAL 604 CO 0.22 0.40 0.89 0.61 0.00 0.00 0.00 175.10 177.23 1mjg n GLY 605 N 4.60 0.88 3.18 4.51 0.00 0.11 -2.86 105.19 115.61 1mjg n GLY 605 Ca -0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1mjg n GLY 605 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mjg s THR 606 N -1.54 0.06 -0.23 2.61 -4.23 -1.26 -4.46 115.64 106.59 1mjg s THR 606 Ca 0.10 -0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 59.89 1mjg s THR 606 Cb 0.07 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 1mjg s THR 606 CO 0.04 -0.29 0.60 -0.32 -0.54 0.00 0.00 174.62 174.12 1mjg s MET 607 N -1.22 4.14 0.92 3.99 1.75 -1.26 -4.90 119.30 122.72 1mjg s MET 607 Ca -0.13 0.52 -0.12 0.00 -1.25 0.00 0.00 55.69 54.71 1mjg s MET 607 Cb -0.06 -3.62 0.14 0.00 2.84 0.00 0.00 34.83 34.13 1mjg s MET 607 CO 0.03 -0.33 1.11 -2.14 -0.65 0.00 0.00 175.02 173.04 1mjg s PRO 608 N 2.21 1.10 -1.16 4.11 0.02 -1.26 -4.86 135.00 135.16 1mjg s PRO 608 Ca 0.26 0.52 -0.17 0.00 0.02 0.00 0.00 61.00 61.63 1mjg s PRO 608 Cb -0.16 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1mjg s PRO 608 CO 0.09 -2.28 2.10 -0.35 -0.33 0.00 0.00 177.00 176.24 1mjg n PRO 609 N -3.86 2.27 0.00 5.54 -0.04 -1.26 -4.31 135.00 133.34 1mjg n PRO 609 Ca 0.06 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 1mjg n PRO 609 Cb 0.57 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1mjg n PRO 609 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1mjg n VAL 610 N 5.47 0.00 0.30 0.52 0.24 -1.24 -3.83 118.33 119.80 1mjg n VAL 610 Ca 0.51 -0.34 0.19 0.00 -2.04 0.00 0.00 64.34 62.67 1mjg n VAL 610 Cb 0.39 1.03 0.93 0.00 -1.47 0.00 0.00 33.84 34.73 1mjg n VAL 610 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1mjg h GLU 611 N 0.00 0.00 0.00 7.34 5.08 -1.75 -2.61 114.58 122.64 1mjg h GLU 611 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjg h GLU 611 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1mjg h GLU 611 CO 0.00 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 1mjg n GLY 612 N -0.60 -0.83 2.78 -3.84 0.00 0.08 -4.41 105.19 98.37 1mjg n GLY 612 Ca -0.01 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1mjg n GLY 612 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mjg s SER 613 N -3.51 2.58 0.42 1.61 0.15 -0.98 -4.90 113.70 109.08 1mjg s SER 613 Ca 0.01 -0.62 0.14 0.00 0.70 0.00 0.00 55.95 56.19 1mjg s SER 613 Cb 0.05 -0.62 0.91 0.00 -1.71 0.00 0.00 66.02 64.65 1mjg s SER 613 CO 0.17 -0.26 1.93 0.44 1.20 0.00 0.00 173.24 176.73 1mjg h ASP 614 N 8.24 0.00 0.42 5.45 3.32 -1.84 0.10 116.42 132.12 1mjg h ASP 614 Ca -0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1mjg h ASP 614 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1mjg h ASP 614 CO 0.33 0.25 -0.20 0.25 -1.72 0.00 0.00 179.24 178.15 1mjg h LEU 615 N 0.00 -0.48 -0.30 1.55 7.12 -1.94 -0.39 115.31 120.86 1mjg h LEU 615 Ca -0.00 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 1mjg h LEU 615 Cb 0.44 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1mjg h LEU 615 CO 0.03 -0.18 0.15 0.40 -0.13 0.00 0.00 178.44 178.72 1mjg h ILE 616 N -0.80 1.15 -0.89 4.05 1.08 -1.85 -1.49 117.51 118.75 1mjg h ILE 616 Ca -0.06 -0.41 0.08 0.00 -0.39 0.00 0.00 64.86 64.09 1mjg h ILE 616 Cb 0.54 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 1mjg h ILE 616 CO 0.10 0.15 0.54 0.22 -0.69 0.00 0.00 178.15 178.47 1mjg h TYR 617 N 0.36 0.99 -0.31 1.37 5.03 -0.96 -0.34 116.97 123.11 1mjg h TYR 617 Ca 0.11 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.31 1mjg h TYR 617 Cb 0.10 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.05 1mjg h TYR 617 CO -0.02 0.45 -0.34 1.03 -1.32 0.00 0.00 178.16 177.96 1mjg h SER 618 N 0.94 0.73 -0.42 -2.11 0.87 -0.79 -1.38 113.55 111.40 1mjg h SER 618 Ca 0.41 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1mjg h SER 618 Cb 0.29 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1mjg h SER 618 CO -0.22 1.01 0.08 0.40 -0.53 0.00 0.00 176.83 177.58 1mjg h ILE 619 N 0.59 1.24 -0.53 2.23 2.04 -0.20 0.31 117.51 123.18 1mjg h ILE 619 Ca 0.06 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 1mjg h ILE 619 Cb 0.86 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1mjg h ILE 619 CO 0.08 0.29 -0.11 -0.07 0.00 0.00 0.00 178.15 178.34 1mjg h LEU 620 N 0.54 1.01 0.00 1.44 3.38 -1.02 -0.19 115.31 120.47 1mjg h LEU 620 Ca 0.13 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1mjg h LEU 620 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1mjg h LEU 620 CO 0.00 1.12 -1.81 0.35 0.09 0.00 0.00 178.44 178.20 1mjg n THR 621 N -4.14 0.05 0.07 0.22 -2.24 -0.53 -1.28 114.28 106.44 1mjg n THR 621 Ca 0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1mjg n THR 621 Cb 0.40 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1mjg n THR 621 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjg n GLN 622 N -2.22 0.00 -0.04 -0.78 6.02 0.96 -4.60 117.38 116.72 1mjg n GLN 622 Ca -0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1mjg n GLN 622 Cb 0.55 -0.38 0.39 0.00 1.02 0.00 0.00 30.24 31.81 1mjg n GLN 622 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1mjg h ILE 623 N 0.00 1.12 -0.66 5.09 1.08 -1.27 -1.77 117.51 121.11 1mjg h ILE 623 Ca 0.00 -0.24 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 1mjg h ILE 623 Cb 0.01 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.16 1mjg h ILE 623 CO 0.00 0.12 0.43 0.00 -0.69 0.00 0.00 178.15 178.02 1mjg h ALA 624 N 1.70 1.81 0.00 1.87 0.00 -1.25 0.50 119.26 123.88 1mjg h ALA 624 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1mjg h ALA 624 Cb -0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1mjg h ALA 624 CO -0.04 0.08 -0.11 0.66 0.00 0.00 0.00 179.25 179.84 1mjg h SER 625 N 0.62 0.00 0.32 0.00 4.64 -0.76 0.31 113.55 118.68 1mjg h SER 625 Ca 0.29 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.28 1mjg h SER 625 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1mjg h SER 625 CO -0.09 0.11 -1.76 0.44 -0.87 0.00 0.00 176.83 174.66 1mjg h ASP 626 N 0.00 0.34 0.00 4.97 3.32 -1.03 -3.11 116.42 120.91 1mjg h ASP 626 Ca -0.00 -0.61 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 1mjg h ASP 626 Cb 0.45 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1mjg h ASP 626 CO 0.01 1.53 -0.13 0.58 -1.72 0.00 0.00 179.24 179.52 1mjg h VAL 627 N 0.06 0.96 0.00 -1.35 2.07 -0.72 -3.41 116.25 113.86 1mjg h VAL 627 Ca -0.33 -1.76 -0.29 0.00 0.82 0.00 0.00 66.70 65.14 1mjg h VAL 627 Cb 2.03 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 33.60 1mjg h VAL 627 CO 0.12 0.33 -2.25 -1.22 0.02 0.00 0.00 177.57 174.57 1mjg n TYR 628 N -4.66 0.00 0.00 1.57 4.02 0.97 -5.01 117.16 114.06 1mjg n TYR 628 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1mjg n TYR 628 Cb 0.31 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 38.76 1mjg n TYR 628 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mjg n GLY 629 N 1.74 2.47 4.01 2.72 0.00 -0.43 -4.19 105.19 111.51 1mjg n GLY 629 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1mjg n GLY 629 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mjg s GLY 630 N -2.47 1.82 -0.21 -0.02 0.00 -1.18 -4.54 107.32 100.73 1mjg s GLY 630 Ca 0.00 -1.75 -0.33 0.00 0.00 0.00 0.00 44.72 42.64 1mjg s GLY 630 CO 0.00 -1.39 1.21 -2.52 0.00 0.00 0.00 173.10 170.40 1mjg s TYR 631 N -2.68 -0.15 0.14 1.90 -0.85 -1.14 -2.11 117.35 112.47 1mjg s TYR 631 Ca 0.60 0.16 -0.25 0.00 -0.52 0.00 0.00 57.07 57.06 1mjg s TYR 631 Cb -0.08 0.50 -0.08 0.00 0.38 0.00 0.00 41.96 42.69 1mjg s TYR 631 CO 0.38 -0.19 0.76 -0.06 -1.52 0.00 0.00 175.55 174.93 1mjg s PHE 632 N -1.88 3.88 -0.34 -3.49 0.40 -0.40 -0.15 117.98 115.99 1mjg s PHE 632 Ca 0.07 1.59 0.02 0.00 -0.60 0.00 0.00 56.93 58.02 1mjg s PHE 632 Cb -0.01 -2.76 0.10 0.00 0.51 0.00 0.00 43.02 40.86 1mjg s PHE 632 CO -0.05 0.49 0.06 0.42 0.70 0.00 0.00 175.22 176.85 1mjg s ILE 633 N -0.99 2.53 -0.33 0.64 1.01 0.34 -4.48 121.20 119.92 1mjg s ILE 633 Ca 0.36 -2.15 -0.18 0.00 0.00 0.00 0.00 60.65 58.67 1mjg s ILE 633 Cb -0.23 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1mjg s ILE 633 CO 0.25 -0.53 0.51 -0.36 0.00 0.00 0.00 174.94 174.81 1mjg s PHE 634 N 0.99 3.20 -0.24 3.97 2.99 -1.26 -1.51 117.98 126.11 1mjg s PHE 634 Ca 0.07 0.27 -0.05 0.00 0.00 0.00 0.00 56.93 57.23 1mjg s PHE 634 Cb -0.20 -2.88 0.13 0.00 0.00 0.00 0.00 43.02 40.07 1mjg s PHE 634 CO -0.06 -0.48 0.46 -2.00 -0.00 0.00 0.00 175.22 173.13 1mjg s GLU 635 N 2.37 0.40 0.42 0.44 2.56 -1.14 -3.63 118.70 120.13 1mjg s GLU 635 Ca 0.19 0.88 0.23 0.00 0.00 0.00 0.00 54.97 56.26 1mjg s GLU 635 Cb -0.15 0.11 0.30 0.00 2.00 0.00 0.00 34.13 36.39 1mjg s GLU 635 CO 0.12 -0.47 1.56 0.52 -0.56 0.00 0.00 175.26 176.44 1mjg h MET 636 N 8.13 0.00 -5.91 4.30 2.86 -1.82 -3.38 114.93 119.10 1mjg h MET 636 Ca -0.19 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.84 1mjg h MET 636 Cb 1.14 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.67 1mjg h MET 636 CO 0.20 0.02 0.46 0.34 1.06 0.00 0.00 176.91 179.00 1mjg s ASP 637 N -6.17 6.43 0.39 1.22 3.68 -1.26 -4.94 116.67 116.02 1mjg s ASP 637 Ca 0.06 -0.08 0.14 0.00 2.13 0.00 0.00 52.55 54.80 1mjg s ASP 637 Cb 0.05 -2.41 0.98 0.00 -1.45 0.00 0.00 42.92 40.09 1mjg s ASP 637 CO 0.68 -1.01 1.85 1.55 0.13 0.00 0.00 175.17 178.37 1mjg h PRO 638 N 9.07 0.50 -0.20 4.34 0.13 -1.92 0.18 132.00 144.10 1mjg h PRO 638 Ca -0.25 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1mjg h PRO 638 Cb 1.08 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1mjg h PRO 638 CO 1.00 0.33 -0.13 1.96 -0.23 0.00 0.00 178.00 180.94 1mjg h GLN 639 N 0.52 0.43 -0.63 0.86 1.08 -1.92 -1.24 115.11 114.20 1mjg h GLN 639 Ca 0.47 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.40 1mjg h GLN 639 Cb 1.02 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 1mjg h GLN 639 CO -0.21 0.75 0.12 0.28 -0.95 0.00 0.00 178.83 178.82 1mjg h VAL 640 N 0.11 1.25 -0.27 -0.54 2.07 -1.80 -2.53 116.25 114.56 1mjg h VAL 640 Ca 0.04 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1mjg h VAL 640 Cb 0.64 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1mjg h VAL 640 CO 0.04 0.37 0.14 0.00 0.02 0.00 0.00 177.57 178.13 1mjg h ALA 641 N 1.16 0.32 -0.93 1.67 0.00 -0.53 0.32 119.26 121.27 1mjg h ALA 641 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1mjg h ALA 641 Cb 0.40 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1mjg h ALA 641 CO 0.01 -0.25 0.61 0.00 0.00 0.00 0.00 179.25 179.61 1mjg h ALA 642 N 1.13 1.22 -0.48 0.00 0.00 -1.03 0.19 119.26 120.29 1mjg h ALA 642 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 642 Cb 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1mjg h ALA 642 CO -0.07 0.51 0.14 -0.09 0.00 0.00 0.00 179.25 179.74 1mjg h ARG 643 N 1.20 0.75 -0.41 0.00 2.43 -0.97 -0.71 114.38 116.68 1mjg h ARG 643 Ca 0.36 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1mjg h ARG 643 Cb -0.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1mjg h ARG 643 CO -0.11 0.72 -0.04 0.87 -1.51 0.00 0.00 179.97 179.91 1mjg h LYS 644 N 0.64 0.69 -0.62 0.20 1.57 -0.18 0.09 116.57 118.96 1mjg h LYS 644 Ca 0.15 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1mjg h LYS 644 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1mjg h LYS 644 CO -0.00 0.73 0.11 0.82 -0.57 0.00 0.00 179.45 180.53 1mjg h ILE 645 N 0.64 1.26 -0.27 1.86 2.04 -0.31 -0.84 117.51 121.89 1mjg h ILE 645 Ca 0.12 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 1mjg h ILE 645 Cb 0.45 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1mjg h ILE 645 CO 0.02 0.37 -0.22 -0.07 0.00 0.00 0.00 178.15 178.25 1mjg h LEU 646 N 0.93 0.50 -0.76 1.44 3.38 -0.62 -1.90 115.31 118.28 1mjg h LEU 646 Ca 0.19 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 646 Cb 0.42 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1mjg h LEU 646 CO 0.01 0.73 0.13 0.44 0.09 0.00 0.00 178.44 179.84 1mjg h ASP 647 N 0.45 1.02 -0.50 -0.43 3.32 -0.48 -0.57 116.42 119.22 1mjg h ASP 647 Ca 0.07 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1mjg h ASP 647 Cb 0.64 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1mjg h ASP 647 CO 0.05 1.00 0.02 0.00 -1.72 0.00 0.00 179.24 178.58 1mjg h ALA 648 N 1.12 1.00 -0.24 3.45 0.00 -0.62 -0.04 119.26 123.94 1mjg h ALA 648 Ca 0.21 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1mjg h ALA 648 Cb 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mjg h ALA 648 CO 0.01 0.62 -0.45 -0.07 0.00 0.00 0.00 179.25 179.36 1mjg h LEU 649 N 0.86 0.80 -1.03 0.00 3.38 -1.12 -2.98 115.31 115.23 1mjg h LEU 649 Ca 0.16 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1mjg h LEU 649 Cb 0.48 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1mjg h LEU 649 CO 0.02 1.19 0.21 -0.08 0.09 0.00 0.00 178.44 179.88 1mjg h GLU 650 N 0.45 0.91 -0.09 1.13 4.22 -0.93 0.21 114.58 120.48 1mjg h GLU 650 Ca 0.01 -0.16 0.02 0.00 0.08 0.00 0.00 59.36 59.31 1mjg h GLU 650 Cb 1.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1mjg h GLU 650 CO 0.10 0.77 -0.05 -0.92 -2.18 0.00 0.00 179.01 176.73 1mjg h TYR 651 N 0.89 -0.13 -0.24 0.92 3.20 -0.96 0.41 116.97 121.07 1mjg h TYR 651 Ca 0.20 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.91 1mjg h TYR 651 Cb 0.22 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1mjg h TYR 651 CO 0.02 -0.09 -0.54 0.00 -1.64 0.00 0.00 178.16 175.90 1mjg h ARG 652 N -0.05 0.71 -0.70 1.82 3.08 -1.30 -0.82 114.38 117.12 1mjg h ARG 652 Ca 0.06 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 1mjg h ARG 652 Cb 0.14 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1mjg h ARG 652 CO -0.13 1.07 0.23 1.15 -1.07 0.00 0.00 179.97 181.23 1mjg h THR 653 N 0.55 1.25 0.53 2.04 2.02 -0.39 -0.10 112.91 118.82 1mjg h THR 653 Ca 0.01 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1mjg h THR 653 Cb 1.12 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1mjg h THR 653 CO 0.11 0.34 -0.25 -0.25 0.37 0.00 0.00 175.52 175.83 1mjg h TRP 654 N 1.01 -0.65 -0.45 3.16 7.01 -0.03 -2.34 115.95 123.66 1mjg h TRP 654 Ca 0.23 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1mjg h TRP 654 Cb 0.28 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 1mjg h TRP 654 CO 0.02 -0.33 0.24 -0.22 -2.79 0.00 0.00 178.44 175.36 1mjg h LYS 655 N -1.00 0.61 -0.54 2.65 3.64 -1.12 -1.08 116.57 119.74 1mjg h LYS 655 Ca -0.07 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1mjg h LYS 655 Cb 0.62 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1mjg h LYS 655 CO 0.12 0.46 0.13 1.25 -2.27 0.00 0.00 179.45 179.14 1mjg h LEU 656 N 0.62 0.82 -0.47 5.20 6.46 -1.02 -1.26 115.31 125.66 1mjg h LEU 656 Ca 0.16 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1mjg h LEU 656 Cb 0.03 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 1mjg h LEU 656 CO -0.03 0.84 0.16 1.23 -0.62 0.00 0.00 178.44 180.03 1mjg h GLY 657 N 0.76 0.78 0.92 3.75 0.00 -0.74 -1.97 103.07 106.57 1mjg h GLY 657 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1mjg h GLY 657 CO 0.00 0.42 0.12 -2.08 0.00 0.00 0.00 176.54 175.00 1mjg h VAL 658 N 0.63 1.19 -0.81 4.60 2.07 -1.07 -1.96 116.25 120.90 1mjg h VAL 658 Ca 0.15 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1mjg h VAL 658 Cb 0.24 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1mjg h VAL 658 CO -0.01 0.21 0.49 0.45 0.02 0.00 0.00 177.57 178.73 1mjg h HIS 659 N 0.37 1.06 -0.27 1.57 -0.00 -1.13 0.33 115.15 117.09 1mjg h HIS 659 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.33 1mjg h HIS 659 Cb 0.21 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1mjg h HIS 659 CO -0.00 0.71 -0.42 0.87 -0.00 0.00 0.00 177.93 179.09 1mjg h LYS 660 N 1.11 0.65 -0.26 2.45 1.57 -1.19 0.46 116.57 121.36 1mjg h LYS 660 Ca 0.29 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1mjg h LYS 660 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1mjg h LYS 660 CO -0.05 0.95 0.05 0.93 -0.57 0.00 0.00 179.45 180.75 1mjg h GLU 661 N 0.53 0.42 -0.46 3.15 5.08 -0.81 -1.74 114.58 120.75 1mjg h GLU 661 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1mjg h GLU 661 Cb 0.95 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1mjg h GLU 661 CO 0.09 0.53 0.22 0.28 -1.00 0.00 0.00 179.01 179.13 1mjg h VAL 662 N 0.24 1.19 -0.82 3.13 2.07 -0.83 0.14 116.25 121.37 1mjg h VAL 662 Ca 0.08 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1mjg h VAL 662 Cb 0.31 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1mjg h VAL 662 CO 0.00 0.20 0.54 0.00 0.02 0.00 0.00 177.57 178.34 1mjg h ALA 663 N 1.06 1.43 -0.09 1.67 0.00 -0.78 0.11 119.26 122.66 1mjg h ALA 663 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1mjg h ALA 663 Cb 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1mjg h ALA 663 CO -0.02 0.53 -0.33 1.49 0.00 0.00 0.00 179.25 180.92 1mjg h GLU 664 N 1.10 0.38 -0.02 0.00 4.81 -0.98 0.21 114.58 120.08 1mjg h GLU 664 Ca 0.30 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1mjg h GLU 664 Cb -0.11 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1mjg h GLU 664 CO -0.07 0.92 -0.03 -0.09 -0.73 0.00 0.00 179.01 179.01 1mjg h ARG 665 N -0.08 -0.04 -0.01 1.92 2.43 -0.26 -2.59 114.38 115.75 1mjg h ARG 665 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1mjg h ARG 665 Cb 0.96 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1mjg h ARG 665 CO 0.07 -0.03 -0.15 0.66 -1.51 0.00 0.00 179.97 179.01 1mjg n TYR 666 N -5.14 0.00 -3.15 2.20 4.02 0.34 -4.98 117.16 110.45 1mjg n TYR 666 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.80 1mjg n TYR 666 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1mjg n TYR 666 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1mjg n GLU 667 N -0.58 -1.37 -4.19 -0.72 1.02 0.39 -5.04 120.64 110.15 1mjg n GLU 667 Ca 0.15 1.42 -0.18 0.00 -0.02 0.00 0.00 57.16 58.52 1mjg n GLU 667 Cb 0.32 -5.31 -0.06 0.00 -0.02 0.00 0.00 31.44 26.37 1mjg n GLU 667 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1mjg n THR 668 N -1.85 0.00 -1.31 2.62 -2.24 0.45 -5.02 114.28 106.94 1mjg n THR 668 Ca -0.04 -2.21 -0.30 0.00 -2.27 0.00 0.00 64.05 59.23 1mjg n THR 668 Cb 0.52 1.20 0.12 0.00 -2.10 0.00 0.00 70.33 70.07 1mjg n THR 668 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mjg s LYS 669 N -3.15 1.60 0.12 -0.78 1.02 -1.26 -4.68 119.74 112.61 1mjg s LYS 669 Ca 0.36 0.81 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 1mjg s LYS 669 Cb 0.01 -1.85 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 1mjg s LYS 669 CO 0.26 -2.00 1.23 -1.17 -0.92 0.00 0.00 175.35 172.75 1mjg s LEU 670 N -6.06 4.40 0.26 3.17 2.96 -1.26 -4.76 118.68 117.38 1mjg s LEU 670 Ca 0.62 2.15 -0.30 0.00 -0.22 0.00 0.00 54.13 56.38 1mjg s LEU 670 Cb -0.17 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1mjg s LEU 670 CO 0.56 -0.47 1.54 0.00 -1.32 0.00 0.00 176.35 176.67 1mjg n GLN 672 N 2.49 2.36 -1.72 0.00 1.13 -1.26 -4.96 117.38 115.42 1mjg n GLN 672 Ca 0.09 -2.05 -0.39 0.00 -1.94 0.00 0.00 57.00 52.70 1mjg n GLN 672 Cb 0.38 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.28 1mjg n GLN 672 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mjg n GLY 673 N 1.43 0.61 0.00 1.08 0.00 -1.26 -4.95 105.19 102.11 1mjg n GLY 673 Ca 0.18 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1mjg n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60