#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jur h LEU 6 N 0.00 1.01 -0.93 -4.62 5.85 -2.05 0.00 115.31 114.57 3jur h LEU 6 Ca 0.00 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3jur h LEU 6 Cb 0.00 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3jur h LEU 6 CO 0.00 1.06 0.62 0.00 -0.34 0.00 0.00 178.44 179.78 3jur h ALA 7 N 1.05 1.19 -0.21 1.25 0.00 -2.00 -0.58 119.26 119.95 3jur h ALA 7 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3jur h ALA 7 Cb 0.53 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3jur h ALA 7 CO 0.03 0.58 -0.08 -0.22 0.00 0.00 0.00 179.25 179.56 3jur h LYS 8 N 1.27 0.42 -0.85 0.00 3.11 -1.90 -1.83 116.57 116.79 3jur h LYS 8 Ca 0.34 -0.18 0.04 0.00 -2.81 0.00 0.00 60.65 58.04 3jur h LYS 8 Cb -0.15 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.02 3jur h LYS 8 CO -0.07 0.69 0.56 0.87 -2.81 0.00 0.00 179.45 178.69 3jur h LYS 9 N 0.13 1.03 -0.14 1.90 1.57 -0.80 -1.38 116.57 118.88 3jur h LYS 9 Ca 0.05 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3jur h LYS 9 Cb 0.56 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3jur h LYS 9 CO 0.03 0.68 -0.30 0.82 -0.57 0.00 0.00 179.45 180.10 3jur h ILE 10 N 1.06 1.37 -0.59 1.86 2.04 -1.01 -2.02 117.51 120.21 3jur h ILE 10 Ca 0.34 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.65 3jur h ILE 10 Cb 0.03 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3jur h ILE 10 CO -0.10 0.47 0.35 -0.08 0.00 0.00 0.00 178.15 178.79 3jur h GLU 11 N 0.05 0.67 -0.73 2.37 4.81 -1.15 -1.15 114.58 119.45 3jur h GLU 11 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3jur h GLU 11 Cb 0.90 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 3jur h GLU 11 CO 0.07 0.44 0.31 0.93 -0.73 0.00 0.00 179.01 180.03 3jur h GLU 12 N 0.69 1.08 -0.43 1.92 5.08 -1.26 -1.52 114.58 120.14 3jur h GLU 12 Ca 0.24 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3jur h GLU 12 Cb 0.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3jur h GLU 12 CO -0.12 0.87 0.27 1.49 -1.00 0.00 0.00 179.01 180.53 3jur h GLU 13 N 1.04 0.58 -0.62 2.33 4.57 -0.91 -1.90 114.58 119.66 3jur h GLU 13 Ca 0.24 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3jur h GLU 13 Cb 0.19 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3jur h GLU 13 CO -0.02 0.41 0.39 0.82 -1.18 0.00 0.00 179.01 179.43 3jur h ILE 14 N 0.57 1.17 0.00 2.32 2.04 -1.01 -2.63 117.51 119.98 3jur h ILE 14 Ca 0.15 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3jur h ILE 14 Cb -0.02 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3jur h ILE 14 CO -0.03 0.18 0.00 -0.07 0.00 0.00 0.00 178.15 178.23 3jur h LEU 15 N 0.84 0.00 -0.61 1.44 3.38 -1.01 -1.82 115.31 117.53 3jur h LEU 15 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3jur h LEU 15 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3jur h LEU 15 CO -0.04 0.00 -0.13 0.78 0.09 0.00 0.00 178.44 179.14 3jur h ASN 16 N 0.00 0.00 -0.00 -0.43 2.35 -0.96 -3.34 115.58 113.20 3jur h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3jur h ASN 16 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3jur h ASN 16 CO 0.00 0.13 -0.25 1.41 -1.65 0.00 0.00 177.43 177.07 3jur n HIS 17 N -3.18 0.00 -3.55 1.19 8.25 -0.89 -4.97 115.22 112.07 3jur n HIS 17 Ca 0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.12 3jur n HIS 17 Cb 0.48 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 3jur n HIS 17 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3jur s VAL 18 N -1.42 5.31 0.04 1.59 1.01 -0.74 -4.74 120.40 121.45 3jur s VAL 18 Ca 0.04 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 3jur s VAL 18 Cb 0.05 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.88 3jur s VAL 18 CO 0.24 0.38 0.61 0.00 0.00 0.00 0.00 175.10 176.33 3jur s ARG 19 N 0.59 1.12 0.53 2.72 1.70 -1.26 -4.92 118.95 119.43 3jur s ARG 19 Ca 0.15 -0.10 -0.22 0.00 -0.47 0.00 0.00 55.73 55.09 3jur s ARG 19 Cb -0.13 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.71 3jur s ARG 19 CO 0.04 -0.41 1.27 0.39 -1.08 0.00 0.00 175.30 175.51 3jur n GLU 20 N 0.38 1.59 -2.48 3.89 4.71 -1.26 -4.80 120.64 122.67 3jur n GLU 20 Ca -0.18 0.58 -0.40 0.00 -0.01 0.00 0.00 57.16 57.16 3jur n GLU 20 Cb 0.60 -2.47 -0.04 0.00 -1.01 0.00 0.00 31.44 28.53 3jur n GLU 20 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3jur s PRO 21 N -2.74 4.53 0.08 3.49 0.04 -1.26 -5.01 135.00 134.13 3jur s PRO 21 Ca 0.70 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 3jur s PRO 21 Cb -0.44 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 3jur s PRO 21 CO 0.50 0.12 1.32 -0.65 0.04 0.00 0.00 177.00 178.34 3jur s GLN 22 N -1.67 4.36 -0.09 4.56 -1.52 -1.26 -5.01 119.66 119.02 3jur s GLN 22 Ca 0.47 1.96 0.02 0.00 -1.95 0.00 0.00 55.36 55.86 3jur s GLN 22 Cb -0.30 -3.32 0.01 0.00 -0.22 0.00 0.00 33.01 29.19 3jur s GLN 22 CO 0.39 -0.39 -0.15 0.42 -0.25 0.00 0.00 175.29 175.31 3jur s ILE 23 N 1.22 1.41 0.38 1.08 -1.09 -1.26 -4.86 121.20 118.09 3jur s ILE 23 Ca 0.62 -0.61 -0.24 0.00 -2.23 0.00 0.00 60.65 58.19 3jur s ILE 23 Cb -0.34 -1.28 -0.12 0.00 -1.58 0.00 0.00 42.46 39.14 3jur s ILE 23 CO 0.29 0.42 0.79 -2.65 -1.23 0.00 0.00 174.94 172.57 3jur n PRO 24 N 3.99 0.94 -1.59 2.79 -0.02 -1.26 -4.82 135.00 135.03 3jur n PRO 24 Ca -0.20 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3jur n PRO 24 Cb 0.52 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.27 3jur n PRO 24 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3jur n ASP 25 N 1.05 4.45 -3.74 2.55 2.03 -1.26 -4.35 116.55 117.28 3jur n ASP 25 Ca 0.11 -2.77 -0.13 0.00 0.52 0.00 0.00 54.79 52.51 3jur n ASP 25 Cb 0.37 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.10 3jur n ASP 25 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3jur s ARG 26 N 3.25 0.49 0.11 -0.67 3.52 -1.26 -5.08 118.95 119.32 3jur s ARG 26 Ca 0.51 0.47 -0.06 0.00 -0.13 0.00 0.00 55.73 56.53 3jur s ARG 26 Cb 0.15 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 3jur s ARG 26 CO -0.06 -0.07 0.15 -1.83 -0.81 0.00 0.00 175.30 172.67 3jur s GLU 27 N 0.03 0.90 -0.04 5.12 -1.05 -1.26 -0.05 118.70 122.35 3jur s GLU 27 Ca -0.02 -1.16 -0.10 0.00 -0.15 0.00 0.00 54.97 53.55 3jur s GLU 27 Cb -0.03 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.98 3jur s GLU 27 CO 0.01 -0.28 0.22 0.08 0.95 0.00 0.00 175.26 176.25 3jur s VAL 28 N -3.94 0.04 -0.12 1.83 1.01 -0.66 -4.95 120.40 113.61 3jur s VAL 28 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3jur s VAL 28 Cb 0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3jur s VAL 28 CO -0.06 -0.20 0.02 0.21 0.00 0.00 0.00 175.10 175.08 3jur s ASN 29 N -0.76 5.36 0.47 3.32 3.84 -1.26 -0.84 114.94 125.07 3jur s ASN 29 Ca -0.09 0.11 0.16 0.00 0.21 0.00 0.00 52.86 53.26 3jur s ASN 29 Cb -0.05 -1.70 1.13 0.00 -0.55 0.00 0.00 41.25 40.09 3jur s ASN 29 CO 0.02 0.30 2.02 0.25 -2.79 0.00 0.00 177.10 176.90 3jur h LEU 30 N 5.76 0.24 -1.86 3.21 5.85 -1.72 -1.30 115.31 125.48 3jur h LEU 30 Ca -0.45 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.30 3jur h LEU 30 Cb 1.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3jur h LEU 30 CO 0.60 0.15 0.13 -0.07 -0.34 0.00 0.00 178.44 178.91 3jur h LEU 31 N 0.27 0.16 0.00 2.25 3.38 -1.85 -1.72 115.31 117.80 3jur h LEU 31 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3jur h LEU 31 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3jur h LEU 31 CO -0.04 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.07 3jur n ASP 32 N -4.50 0.00 -1.15 -0.43 8.00 -0.49 -2.82 116.55 115.16 3jur n ASP 32 Ca 0.01 -0.12 -0.00 0.00 0.71 0.00 0.00 54.79 55.38 3jur n ASP 32 Cb 0.14 -0.18 0.13 0.00 -0.02 0.00 0.00 41.12 41.20 3jur n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3jur n PHE 33 N -1.18 0.59 -1.00 1.24 3.72 -0.65 -4.98 117.46 115.21 3jur n PHE 33 Ca 0.08 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 3jur n PHE 33 Cb 0.09 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3jur n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jur n GLY 34 N -0.74 0.55 3.79 1.37 0.00 -1.13 -4.19 105.19 104.85 3jur n GLY 34 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3jur n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jur s ALA 35 N -2.18 3.14 -0.07 4.61 0.00 -1.22 -4.98 121.76 121.06 3jur s ALA 35 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3jur s ALA 35 Cb 0.00 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.94 3jur s ALA 35 CO 0.00 0.07 -0.09 0.50 0.00 0.00 0.00 175.76 176.23 3jur s ARG 36 N -2.43 1.46 -0.10 0.00 3.52 -1.26 -4.59 118.95 115.55 3jur s ARG 36 Ca 0.55 -0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 3jur s ARG 36 Cb -0.17 -1.31 0.05 0.00 -1.56 0.00 0.00 34.95 31.96 3jur s ARG 36 CO 0.22 -0.06 2.11 0.41 -0.81 0.00 0.00 175.30 177.17 3jur n GLY 37 N 4.10 3.02 0.64 8.12 0.00 -1.26 -4.27 105.19 115.54 3jur n GLY 37 Ca -0.21 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.52 3jur n GLY 37 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jur n ASP 38 N 1.21 2.07 -0.94 1.61 5.68 -1.19 -2.05 116.55 122.93 3jur n ASP 38 Ca 0.12 -1.63 -0.12 0.00 -0.50 0.00 0.00 54.79 52.66 3jur n ASP 38 Cb 0.54 0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.54 3jur n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jur n GLY 39 N 1.28 1.22 0.56 6.12 0.00 -0.54 -4.80 105.19 109.03 3jur n GLY 39 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3jur n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jur n ARG 40 N -2.62 0.00 -1.83 1.61 3.00 -1.26 -4.89 116.66 110.66 3jur n ARG 40 Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.30 3jur n ARG 40 Cb 0.41 -0.54 -0.03 0.00 0.00 0.00 0.00 32.46 32.30 3jur n ARG 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3jur s THR 41 N -1.64 2.41 -0.32 0.55 2.01 -1.26 -4.95 115.64 112.44 3jur s THR 41 Ca 0.00 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 3jur s THR 41 Cb 0.00 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 3jur s THR 41 CO 0.00 0.02 1.45 -0.62 -0.69 0.00 0.00 174.62 174.78 3jur s ASP 42 N 1.38 6.42 -0.11 3.53 -1.08 -1.26 -3.96 116.67 121.59 3jur s ASP 42 Ca 0.73 1.17 0.19 0.00 -0.52 0.00 0.00 52.55 54.12 3jur s ASP 42 Cb -0.46 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.20 3jur s ASP 42 CO 0.32 -1.30 1.64 0.00 0.52 0.00 0.00 175.17 176.35 3jur h SER 44 N 4.19 -0.03 -0.04 0.00 0.02 -1.91 -1.79 113.55 114.00 3jur h SER 44 Ca 0.00 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 3jur h SER 44 Cb 1.45 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 3jur h SER 44 CO 0.23 0.01 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.23 3jur h GLU 45 N 0.22 0.54 -0.24 3.45 4.39 -1.95 -2.83 114.58 118.16 3jur h GLU 45 Ca 0.25 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3jur h GLU 45 Cb 0.34 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 3jur h GLU 45 CO -0.34 0.83 -0.02 0.77 -1.16 0.00 0.00 179.01 179.09 3jur h SER 46 N 0.45 -0.14 -0.17 1.42 0.02 -1.50 0.32 113.55 113.94 3jur h SER 46 Ca 0.04 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3jur h SER 46 Cb 0.86 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3jur h SER 46 CO 0.07 -0.04 0.10 -0.26 -1.14 0.00 0.00 176.83 175.56 3jur h PHE 47 N 0.04 0.23 -0.16 3.45 0.04 -1.45 -0.46 116.94 118.64 3jur h PHE 47 Ca 0.11 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.91 3jur h PHE 47 Cb 0.16 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3jur h PHE 47 CO -0.21 0.21 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.47 3jur h LYS 48 N 0.18 0.02 -0.40 1.51 3.64 -1.21 -0.58 116.57 119.73 3jur h LYS 48 Ca 0.06 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3jur h LYS 48 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3jur h LYS 48 CO -0.01 0.02 0.19 0.00 -2.27 0.00 0.00 179.45 177.37 3jur h ARG 49 N 0.02 0.58 -0.40 1.90 3.08 -0.32 -2.49 114.38 116.75 3jur h ARG 49 Ca 0.07 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3jur h ARG 49 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3jur h ARG 49 CO -0.15 0.52 -0.08 0.00 -1.07 0.00 0.00 179.97 179.19 3jur h ALA 50 N 1.03 0.55 -0.52 0.04 0.00 -0.86 -1.51 119.26 117.99 3jur h ALA 50 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jur h ALA 50 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3jur h ALA 50 CO -0.02 0.40 0.31 0.82 0.00 0.00 0.00 179.25 180.76 3jur h ILE 51 N 0.57 1.16 -0.53 0.00 2.04 -1.15 -2.53 117.51 117.07 3jur h ILE 51 Ca 0.10 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3jur h ILE 51 Cb 0.59 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3jur h ILE 51 CO 0.04 0.17 0.30 -0.08 0.00 0.00 0.00 178.15 178.57 3jur h GLU 52 N 0.70 0.73 -0.71 2.37 4.57 -1.29 0.23 114.58 121.19 3jur h GLU 52 Ca 0.19 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3jur h GLU 52 Cb 0.00 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3jur h GLU 52 CO -0.03 0.56 0.46 1.49 -1.18 0.00 0.00 179.01 180.31 3jur h GLU 53 N 0.71 0.90 -0.16 1.92 4.81 -1.20 -1.11 114.58 120.46 3jur h GLU 53 Ca 0.19 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3jur h GLU 53 Cb 0.03 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3jur h GLU 53 CO -0.03 0.60 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.70 3jur h LEU 54 N 0.93 0.34 -0.36 1.64 3.38 -1.12 -3.21 115.31 116.91 3jur h LEU 54 Ca 0.27 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3jur h LEU 54 Cb -0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3jur h LEU 54 CO -0.07 0.68 -0.00 -1.28 0.09 0.00 0.00 178.44 177.85 3jur h SER 55 N 0.00 -0.15 -0.18 -0.43 0.87 -0.34 0.18 113.55 113.50 3jur h SER 55 Ca 0.03 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.73 3jur h SER 55 Cb 0.55 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3jur h SER 55 CO 0.02 -0.04 0.13 0.11 -0.53 0.00 0.00 176.83 176.52 3jur h LYS 56 N 0.10 0.00 0.00 2.24 1.57 -1.27 -0.90 116.57 118.31 3jur h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3jur h LYS 56 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3jur h LYS 56 CO -0.29 0.00 -0.41 1.04 -0.57 0.00 0.00 179.45 179.22 3jur n GLN 57 N -4.48 0.17 0.00 3.15 6.02 -0.84 -4.93 117.38 116.47 3jur n GLN 57 Ca 0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3jur n GLN 57 Cb 0.26 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3jur n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jur n GLY 58 N 1.40 0.96 0.00 1.08 0.00 -0.34 -5.07 105.19 103.22 3jur n GLY 58 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3jur n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 59 N -0.27 -0.00 0.00 -0.02 0.00 0.57 -4.80 105.19 100.68 3jur n GLY 59 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 3jur n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 60 N -0.51 0.34 3.81 -0.02 0.00 0.14 -4.70 105.19 104.25 3jur n GLY 60 Ca 0.00 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 3jur n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jur s ARG 61 N -2.00 3.79 -0.35 1.61 0.52 0.93 -0.93 118.95 122.53 3jur s ARG 61 Ca 0.00 -0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 3jur s ARG 61 Cb 0.00 -3.30 0.02 0.00 0.52 0.00 0.00 34.95 32.19 3jur s ARG 61 CO 0.00 0.56 0.17 -1.17 0.02 0.00 0.00 175.30 174.88 3jur s LEU 62 N -0.40 4.44 -0.10 2.53 2.96 0.19 -1.66 118.68 126.65 3jur s LEU 62 Ca 0.12 -0.88 -0.27 0.00 -0.22 0.00 0.00 54.13 52.89 3jur s LEU 62 Cb -0.12 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3jur s LEU 62 CO 0.02 -0.32 0.86 -0.63 -1.32 0.00 0.00 176.35 174.97 3jur s ILE 63 N 1.54 4.90 -0.39 6.68 -1.09 -0.02 -0.79 121.20 132.03 3jur s ILE 63 Ca 0.02 1.75 -0.05 0.00 -2.23 0.00 0.00 60.65 60.15 3jur s ILE 63 Cb -0.19 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.60 3jur s ILE 63 CO 0.06 0.11 0.19 -0.69 -1.23 0.00 0.00 174.94 173.37 3jur s VAL 64 N 1.55 3.56 0.08 2.92 1.01 0.38 -1.75 120.40 128.14 3jur s VAL 64 Ca 0.43 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 3jur s VAL 64 Cb -0.18 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3jur s VAL 64 CO 0.18 -0.53 0.08 -0.81 0.00 0.00 0.00 175.10 174.02 3jur n PRO 65 N 4.71 -0.76 -1.77 2.72 -0.04 -1.26 -0.40 135.00 138.20 3jur n PRO 65 Ca -0.07 -0.12 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 3jur n PRO 65 Cb 0.42 -0.10 0.04 0.00 -0.04 0.00 0.00 33.50 33.82 3jur n PRO 65 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3jur s GLU 66 N -3.18 3.19 0.00 0.54 1.03 -1.26 -1.95 118.70 117.07 3jur s GLU 66 Ca 0.05 2.27 0.00 0.00 0.03 0.00 0.00 54.97 57.32 3jur s GLU 66 Cb -0.00 -2.30 0.00 0.00 -0.80 0.00 0.00 34.13 31.02 3jur s GLU 66 CO 0.04 -1.16 0.00 0.41 -1.33 0.00 0.00 175.26 173.21 3jur n GLY 67 N 0.71 1.03 3.31 -3.83 0.00 -1.26 -4.79 105.19 100.35 3jur n GLY 67 Ca 0.10 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 3jur n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 68 N -1.08 3.39 -0.39 1.61 1.01 -0.87 -0.15 120.40 123.92 3jur s VAL 68 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3jur s VAL 68 Cb 0.00 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.93 3jur s VAL 68 CO 0.00 0.41 0.18 -0.36 0.00 0.00 0.00 175.10 175.33 3jur s PHE 69 N 1.48 3.50 0.23 5.22 0.08 0.51 -1.47 117.98 127.53 3jur s PHE 69 Ca 0.06 -2.21 -0.30 0.00 0.12 0.00 0.00 56.93 54.60 3jur s PHE 69 Cb -0.14 -3.01 -0.09 0.00 -0.57 0.00 0.00 43.02 39.21 3jur s PHE 69 CO -0.03 -0.93 1.25 -0.51 -0.10 0.00 0.00 175.22 174.90 3jur s LEU 70 N 1.20 4.45 0.06 -0.37 1.43 -1.25 -1.61 118.68 122.59 3jur s LEU 70 Ca 0.05 2.39 -0.25 0.00 -1.03 0.00 0.00 54.13 55.29 3jur s LEU 70 Cb -0.22 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.44 3jur s LEU 70 CO -0.03 -0.43 0.59 0.28 0.23 0.00 0.00 176.35 176.99 3jur s THR 71 N -0.33 0.01 0.00 5.49 -1.32 -0.94 -0.29 115.64 118.27 3jur s THR 71 Ca 0.53 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 3jur s THR 71 Cb -0.35 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 3jur s THR 71 CO 0.41 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 3jur n GLY 72 N 0.25 -1.18 3.75 6.08 0.00 -1.26 -0.83 105.19 111.99 3jur n GLY 72 Ca -0.18 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3jur n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jur s PRO 73 N -1.39 3.23 -0.23 1.61 0.04 -1.26 -4.85 135.00 132.14 3jur s PRO 73 Ca 0.00 2.13 -0.09 0.00 0.04 0.00 0.00 61.00 63.08 3jur s PRO 73 Cb 0.00 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3jur s PRO 73 CO 0.00 -1.09 0.10 0.42 0.04 0.00 0.00 177.00 176.48 3jur s ILE 74 N -1.36 4.80 -0.37 0.56 1.01 0.13 -5.00 121.20 120.96 3jur s ILE 74 Ca 0.71 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.25 3jur s ILE 74 Cb -0.38 -3.23 0.04 0.00 0.01 0.00 0.00 42.46 38.90 3jur s ILE 74 CO 0.45 0.36 0.19 -1.00 0.00 0.00 0.00 174.94 174.93 3jur s HIS 75 N 1.18 3.26 0.69 3.97 3.76 -1.26 -0.71 115.29 126.18 3jur s HIS 75 Ca 0.05 -1.19 -0.11 0.00 -0.15 0.00 0.00 55.06 53.66 3jur s HIS 75 Cb -0.14 -2.48 0.01 0.00 1.11 0.00 0.00 32.58 31.08 3jur s HIS 75 CO 0.04 -0.71 1.07 -0.51 -0.85 0.00 0.00 174.74 173.79 3jur s LEU 76 N 1.49 2.95 0.26 0.89 1.43 0.46 -4.98 118.68 121.17 3jur s LEU 76 Ca 0.01 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 3jur s LEU 76 Cb -0.20 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 3jur s LEU 76 CO 0.05 -1.29 0.09 -0.54 0.23 0.00 0.00 176.35 174.88 3jur s LYS 77 N -5.32 1.41 0.47 1.70 1.02 -1.26 -4.68 119.74 113.09 3jur s LYS 77 Ca 0.58 -1.76 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 3jur s LYS 77 Cb -0.11 -0.32 -0.08 0.00 -0.52 0.00 0.00 37.83 36.80 3jur s LYS 77 CO 0.51 -0.27 1.29 0.43 -0.92 0.00 0.00 175.35 176.39 3jur n SER 78 N -0.47 2.56 -1.04 2.83 7.64 -1.26 -3.17 113.62 120.71 3jur n SER 78 Ca -0.01 1.05 -0.11 0.00 1.01 0.00 0.00 58.87 60.81 3jur n SER 78 Cb 0.66 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 3jur n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3jur n ASN 79 N -0.26 -4.14 -4.55 6.43 3.02 0.11 -4.72 115.26 111.15 3jur n ASN 79 Ca 0.08 0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.47 3jur n ASN 79 Cb 0.42 -2.91 -0.11 0.00 -0.61 0.00 0.00 39.78 36.57 3jur n ASN 79 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jur s ILE 80 N -2.48 4.20 -0.20 2.41 -1.09 -1.16 -0.68 121.20 122.20 3jur s ILE 80 Ca 0.00 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.13 3jur s ILE 80 Cb 0.00 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 38.01 3jur s ILE 80 CO 0.00 0.49 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.48 3jur s GLU 81 N 0.29 3.53 -0.48 2.79 2.12 -0.11 -1.61 118.70 125.24 3jur s GLU 81 Ca -0.01 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 3jur s GLU 81 Cb -0.13 -3.02 0.05 0.00 0.26 0.00 0.00 34.13 31.28 3jur s GLU 81 CO 0.02 -0.03 0.54 -1.17 -0.54 0.00 0.00 175.26 174.08 3jur s LEU 82 N 1.09 5.07 -0.43 2.70 2.96 0.36 0.54 118.68 130.95 3jur s LEU 82 Ca 0.02 -0.93 -0.15 0.00 -0.22 0.00 0.00 54.13 52.85 3jur s LEU 82 Cb -0.14 -2.39 0.04 0.00 0.50 0.00 0.00 46.19 44.19 3jur s LEU 82 CO 0.01 -0.77 0.33 -2.28 -1.32 0.00 0.00 176.35 172.31 3jur s HIS 83 N 2.33 3.24 -0.40 5.38 5.65 0.03 -0.50 115.29 131.03 3jur s HIS 83 Ca 0.12 -0.75 -0.13 0.00 0.25 0.00 0.00 55.06 54.56 3jur s HIS 83 Cb -0.20 -2.79 0.03 0.00 -1.18 0.00 0.00 32.58 28.45 3jur s HIS 83 CO 0.11 -0.67 0.26 0.08 -0.65 0.00 0.00 174.74 173.87 3jur s VAL 84 N 1.65 4.84 -0.22 0.89 1.01 0.14 -0.47 120.40 128.23 3jur s VAL 84 Ca 0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3jur s VAL 84 Cb -0.21 -3.74 -0.19 0.00 0.00 0.00 0.00 36.38 32.25 3jur s VAL 84 CO 0.09 -0.31 -0.06 0.29 0.00 0.00 0.00 175.10 175.10 3jur n LYS 85 N 5.06 0.66 0.00 2.72 5.02 0.47 -0.42 118.16 131.67 3jur n LYS 85 Ca -0.11 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3jur n LYS 85 Cb 0.46 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3jur n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jur n GLY 86 N 1.95 1.32 3.33 0.72 0.00 -0.83 -3.74 105.19 107.95 3jur n GLY 86 Ca -0.43 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 3jur n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jur s THR 87 N 1.59 2.73 -0.29 2.61 2.01 0.79 -0.93 115.64 124.15 3jur s THR 87 Ca 0.00 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 3jur s THR 87 Cb 0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3jur s THR 87 CO 0.00 0.54 0.26 -0.63 -0.69 0.00 0.00 174.62 174.10 3jur s ILE 88 N 0.26 5.26 -0.24 1.82 1.01 0.08 -0.36 121.20 129.02 3jur s ILE 88 Ca -0.12 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 3jur s ILE 88 Cb -0.16 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3jur s ILE 88 CO 0.06 0.16 -0.07 -0.75 0.00 0.00 0.00 174.94 174.34 3jur s LYS 89 N 1.86 2.81 0.11 2.79 2.20 -0.63 -0.52 119.74 128.36 3jur s LYS 89 Ca 0.09 -0.99 -0.28 0.00 -0.36 0.00 0.00 55.97 54.43 3jur s LYS 89 Cb -0.16 -2.95 -0.06 0.00 -1.51 0.00 0.00 37.83 33.15 3jur s LYS 89 CO 0.11 -0.40 0.87 -0.06 -0.36 0.00 0.00 175.35 175.51 3jur s PHE 90 N 1.31 3.81 -0.24 4.03 0.40 0.46 -2.20 117.98 125.55 3jur s PHE 90 Ca -0.00 1.68 -0.29 0.00 -0.60 0.00 0.00 56.93 57.72 3jur s PHE 90 Cb -0.17 -2.94 0.01 0.00 0.51 0.00 0.00 43.02 40.43 3jur s PHE 90 CO -0.05 0.29 1.12 0.42 0.70 0.00 0.00 175.22 177.69 3jur s ILE 91 N -0.25 4.51 -0.09 0.64 1.01 -0.01 -4.33 121.20 122.68 3jur s ILE 91 Ca 0.42 1.80 -0.03 0.00 0.00 0.00 0.00 60.65 62.85 3jur s ILE 91 Cb -0.23 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 3jur s ILE 91 CO 0.27 -0.26 2.76 -0.81 0.00 0.00 0.00 174.94 176.90 3jur n PRO 92 N 6.58 1.66 -3.57 2.79 -0.04 -1.26 -4.78 135.00 136.37 3jur n PRO 92 Ca 0.13 -0.86 -0.40 0.00 -0.04 0.00 0.00 63.50 62.32 3jur n PRO 92 Cb 0.46 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 3jur n PRO 92 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3jur s ASP 93 N 1.60 5.83 0.50 3.54 3.68 -1.26 -4.88 116.67 125.68 3jur s ASP 93 Ca 0.38 -0.71 0.23 0.00 2.13 0.00 0.00 52.55 54.58 3jur s ASP 93 Cb 0.20 -2.07 1.31 0.00 -1.45 0.00 0.00 42.92 40.91 3jur s ASP 93 CO -0.03 -0.31 1.97 -0.65 0.13 0.00 0.00 175.17 176.29 3jur h PRO 94 N 8.46 0.11 0.00 4.34 0.11 -2.00 -1.26 132.00 141.75 3jur h PRO 94 Ca -0.29 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3jur h PRO 94 Cb 1.13 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jur h PRO 94 CO 0.66 0.07 -0.10 1.49 -0.21 0.00 0.00 178.00 179.91 3jur h GLU 95 N 0.11 0.00 0.00 1.05 4.81 -1.97 -1.50 114.58 117.08 3jur h GLU 95 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3jur h GLU 95 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3jur h GLU 95 CO -0.03 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3jur h ARG 96 N 0.00 0.00 -0.61 1.92 3.08 -1.59 -2.86 114.38 114.32 3jur h ARG 96 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jur h ARG 96 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3jur h ARG 96 CO 0.01 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.58 3jur n TYR 97 N -2.62 1.99 -4.28 3.04 4.01 -0.56 -4.39 117.16 114.35 3jur n TYR 97 Ca 0.01 -0.69 -0.26 0.00 -0.16 0.00 0.00 57.90 56.80 3jur n TYR 97 Cb 0.26 -0.50 -0.08 0.00 -0.31 0.00 0.00 39.34 38.71 3jur n TYR 97 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3jur s LEU 98 N -2.62 3.09 0.85 7.72 1.43 -1.08 -0.67 118.68 127.40 3jur s LEU 98 Ca 0.52 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3jur s LEU 98 Cb 0.40 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 45.00 3jur s LEU 98 CO 0.15 0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 3jur s PRO 99 N -3.08 1.58 0.50 1.29 0.04 -1.26 -5.04 135.00 129.04 3jur s PRO 99 Ca 0.27 1.09 -0.24 0.00 0.04 0.00 0.00 61.00 62.17 3jur s PRO 99 Cb -0.08 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 3jur s PRO 99 CO 0.17 -2.09 1.40 0.14 0.04 0.00 0.00 177.00 176.66 3jur s VAL 100 N -2.86 2.06 0.32 -0.36 -7.23 -1.26 -4.59 120.40 106.49 3jur s VAL 100 Ca 0.63 0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.91 3jur s VAL 100 Cb -0.19 -3.03 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 3jur s VAL 100 CO 0.57 0.00 -0.00 0.68 -0.31 0.00 0.00 175.10 176.04 3jur s VAL 101 N -1.25 1.55 -0.17 1.32 -7.23 -0.33 -4.80 120.40 109.49 3jur s VAL 101 Ca 0.66 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 3jur s VAL 101 Cb -0.42 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3jur s VAL 101 CO 0.52 -0.13 1.70 -0.22 -0.31 0.00 0.00 175.10 176.67 3jur s LEU 102 N -3.51 3.97 0.00 1.32 2.96 -1.26 -2.08 118.68 120.07 3jur s LEU 102 Ca 0.33 1.83 -0.00 0.00 -0.22 0.00 0.00 54.13 56.07 3jur s LEU 102 Cb 0.07 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.23 3jur s LEU 102 CO 0.15 -1.25 0.07 1.07 -1.32 0.00 0.00 176.35 175.07 3jur n THR 103 N 6.30 0.00 -4.09 3.68 5.66 -0.48 -5.00 114.28 120.35 3jur n THR 103 Ca 0.20 -0.26 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 3jur n THR 103 Cb 0.44 0.16 -0.12 0.00 -1.55 0.00 0.00 70.33 69.27 3jur n THR 103 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3jur s ARG 104 N -2.11 0.60 -0.17 1.09 0.52 -1.26 -1.58 118.95 116.04 3jur s ARG 104 Ca 0.04 -0.82 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3jur s ARG 104 Cb -0.00 -0.42 0.04 0.00 0.52 0.00 0.00 34.95 35.09 3jur s ARG 104 CO 0.03 0.08 -0.06 0.12 0.02 0.00 0.00 175.30 175.49 3jur s PHE 105 N -1.39 1.84 -1.44 -0.53 5.36 -0.37 -4.81 117.98 116.64 3jur s PHE 105 Ca -0.08 -1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 54.70 3jur s PHE 105 Cb -0.10 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 3jur s PHE 105 CO 0.01 -0.64 0.31 0.39 -1.46 0.00 0.00 175.22 173.83 3jur n GLU 106 N 4.84 -2.61 -0.35 10.12 1.02 -1.26 -2.05 120.64 130.34 3jur n GLU 106 Ca -0.12 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3jur n GLU 106 Cb 0.47 -4.25 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 3jur n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jur n GLY 107 N -2.14 0.98 3.25 0.62 0.00 -1.26 -4.62 105.19 102.02 3jur n GLY 107 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 3jur n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jur s ILE 108 N -2.85 2.30 0.27 -0.61 1.01 -0.87 -1.32 121.20 119.13 3jur s ILE 108 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 3jur s ILE 108 Cb 0.00 -1.91 -0.10 0.00 0.01 0.00 0.00 42.46 40.47 3jur s ILE 108 CO 0.00 0.55 1.24 -1.61 0.00 0.00 0.00 174.94 175.12 3jur s GLU 109 N 0.43 4.46 0.28 2.79 2.02 -1.26 -1.24 118.70 126.18 3jur s GLU 109 Ca -0.15 2.03 -0.20 0.00 0.02 0.00 0.00 54.97 56.67 3jur s GLU 109 Cb -0.17 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.93 3jur s GLU 109 CO 0.07 -0.07 0.70 -0.48 0.02 0.00 0.00 175.26 175.50 3jur s LEU 110 N -1.19 -0.20 -0.31 1.80 2.34 -0.61 -4.90 118.68 115.61 3jur s LEU 110 Ca 0.50 -0.66 -0.11 0.00 0.06 0.00 0.00 54.13 53.92 3jur s LEU 110 Cb -0.36 2.66 -0.02 0.00 -0.56 0.00 0.00 46.19 47.91 3jur s LEU 110 CO 0.45 -1.35 0.18 -0.31 -1.06 0.00 0.00 176.35 174.26 3jur s TYR 111 N -3.86 3.20 0.32 3.48 2.02 -0.25 -1.38 117.35 120.86 3jur s TYR 111 Ca 0.12 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3jur s TYR 111 Cb -0.06 -2.39 -0.00 0.00 -0.40 0.00 0.00 41.96 39.11 3jur s TYR 111 CO 0.07 -0.34 0.45 1.21 -1.57 0.00 0.00 175.55 175.38 3jur s ASN 112 N 1.69 0.71 0.16 2.29 2.47 -0.89 -0.94 114.94 120.42 3jur s ASN 112 Ca 0.06 -1.39 -0.29 0.00 0.42 0.00 0.00 52.86 51.65 3jur s ASN 112 Cb -0.17 0.63 -0.17 0.00 -1.45 0.00 0.00 41.25 40.09 3jur s ASN 112 CO 0.09 -1.24 0.60 -1.22 -3.72 0.00 0.00 177.10 171.61 3jur n TYR 113 N -0.51 -0.27 -2.00 0.43 4.01 -1.26 -1.19 117.16 116.36 3jur n TYR 113 Ca 0.01 0.96 -0.41 0.00 -0.16 0.00 0.00 57.90 58.29 3jur n TYR 113 Cb 0.62 -1.92 -0.02 0.00 -0.31 0.00 0.00 39.34 37.71 3jur n TYR 113 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3jur s SER 114 N -0.79 6.62 0.91 7.72 0.15 0.16 -4.70 113.70 123.77 3jur s SER 114 Ca 0.67 2.78 -0.11 0.00 0.70 0.00 0.00 55.95 59.99 3jur s SER 114 Cb -0.96 -2.65 0.10 0.00 -1.71 0.00 0.00 66.02 60.80 3jur s SER 114 CO 0.54 -0.67 0.91 -2.65 1.20 0.00 0.00 173.24 172.57 3jur n PRO 115 N 1.18 -0.33 -0.10 5.44 -0.02 -1.26 -4.82 135.00 135.09 3jur n PRO 115 Ca 0.02 -0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 3jur n PRO 115 Cb 0.41 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3jur n PRO 115 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3jur h LEU 116 N -1.67 0.90 -8.02 2.45 3.38 -0.95 -3.39 115.31 108.01 3jur h LEU 116 Ca -0.43 -0.48 -0.65 0.00 0.09 0.00 0.00 57.88 56.41 3jur h LEU 116 Cb 1.28 -0.25 -0.35 0.00 0.09 0.00 0.00 40.66 41.42 3jur h LEU 116 CO 0.39 1.19 -0.85 -0.69 0.09 0.00 0.00 178.44 178.57 3jur s VAL 117 N -4.34 1.92 -0.03 1.22 1.01 -0.31 0.20 120.40 120.07 3jur s VAL 117 Ca -0.12 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3jur s VAL 117 Cb 0.10 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3jur s VAL 117 CO 0.86 0.52 -0.09 -0.47 0.00 0.00 0.00 175.10 175.92 3jur s TYR 118 N 1.34 0.98 -0.03 5.22 5.04 0.11 -0.75 117.35 129.26 3jur s TYR 118 Ca 0.05 -0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 3jur s TYR 118 Cb -0.13 -0.73 0.03 0.00 0.35 0.00 0.00 41.96 41.48 3jur s TYR 118 CO -0.12 -0.14 0.04 0.00 -1.34 0.00 0.00 175.55 173.98 3jur s ALA 119 N 0.40 0.24 -0.10 3.97 0.00 -0.62 -0.40 121.76 125.24 3jur s ALA 119 Ca -0.07 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3jur s ALA 119 Cb -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3jur s ALA 119 CO 0.01 -0.30 -0.18 -1.17 0.00 0.00 0.00 175.76 174.12 3jur s LEU 120 N 1.62 2.43 -1.58 0.00 2.96 -1.26 0.65 118.68 123.50 3jur s LEU 120 Ca -0.02 -0.41 -0.15 0.00 -0.22 0.00 0.00 54.13 53.33 3jur s LEU 120 Cb -0.13 -1.51 0.10 0.00 0.50 0.00 0.00 46.19 45.16 3jur s LEU 120 CO -0.03 0.19 0.94 0.47 -1.32 0.00 0.00 176.35 176.61 3jur n ASP 121 N 3.33 -4.50 -4.86 3.68 8.00 0.39 -4.97 116.55 117.62 3jur n ASP 121 Ca -0.18 -0.83 -0.21 0.00 0.71 0.00 0.00 54.79 54.27 3jur n ASP 121 Cb 0.53 -3.62 -0.04 0.00 -0.02 0.00 0.00 41.12 37.97 3jur n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jur s GLU 123 N -3.90 1.09 -0.72 0.00 2.12 -1.26 -1.63 118.70 114.40 3jur s GLU 123 Ca 0.35 -0.64 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 3jur s GLU 123 Cb -0.08 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.23 3jur s GLU 123 CO 0.26 0.29 0.68 0.09 -0.54 0.00 0.00 175.26 176.04 3jur n ASN 124 N 2.35 -7.37 -4.10 -1.70 3.02 -0.16 -0.71 115.26 106.58 3jur n ASN 124 Ca -0.16 -0.15 -0.24 0.00 -0.03 0.00 0.00 54.58 54.00 3jur n ASN 124 Cb 0.55 -4.76 -0.16 0.00 -0.61 0.00 0.00 39.78 34.80 3jur n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 125 N -2.95 1.26 0.03 2.41 1.01 -0.79 -0.76 120.40 120.62 3jur s VAL 125 Ca 0.02 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3jur s VAL 125 Cb -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3jur s VAL 125 CO 0.77 0.37 -0.09 0.00 0.00 0.00 0.00 175.10 176.15 3jur s ALA 126 N 0.03 0.70 -0.18 5.51 0.00 -0.63 -1.24 121.76 125.94 3jur s ALA 126 Ca -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3jur s ALA 126 Cb -0.10 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.00 3jur s ALA 126 CO 0.01 0.07 -0.17 0.42 0.00 0.00 0.00 175.76 176.10 3jur s ILE 127 N -0.99 1.88 0.37 0.00 1.01 0.49 -0.49 121.20 123.47 3jur s ILE 127 Ca -0.04 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.76 3jur s ILE 127 Cb -0.08 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3jur s ILE 127 CO 0.01 0.44 0.20 0.42 0.00 0.00 0.00 174.94 176.00 3jur s THR 128 N 1.35 0.31 0.00 2.92 -4.23 0.35 -0.40 115.64 115.93 3jur s THR 128 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3jur s THR 128 Cb -0.14 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3jur s THR 128 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 3jur n GLY 129 N -0.78 0.59 0.72 3.99 0.00 -1.24 0.25 105.19 108.72 3jur n GLY 129 Ca -0.00 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.91 3jur n GLY 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jur n SER 130 N 0.00 3.11 -1.76 1.61 3.41 -0.95 -2.60 113.62 116.45 3jur n SER 130 Ca 0.00 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 3jur n SER 130 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3jur n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jur n GLY 131 N -0.90 0.58 3.26 5.00 0.00 0.44 -4.77 105.19 108.79 3jur n GLY 131 Ca 0.22 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 3jur n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 132 N 0.47 1.93 -0.30 1.61 1.01 -0.11 -1.07 120.40 123.95 3jur s VAL 132 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3jur s VAL 132 Cb 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3jur s VAL 132 CO 0.00 0.54 0.07 -0.76 0.00 0.00 0.00 175.10 174.95 3jur s LEU 133 N -0.36 3.85 -0.30 3.92 1.43 0.16 -0.74 118.68 126.65 3jur s LEU 133 Ca 0.03 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.31 3jur s LEU 133 Cb -0.11 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.29 3jur s LEU 133 CO 0.01 -0.21 0.01 -0.62 0.23 0.00 0.00 176.35 175.78 3jur s ASP 134 N 1.47 4.90 0.14 2.29 -1.08 0.32 -1.39 116.67 123.31 3jur s ASP 134 Ca 0.02 -1.15 0.27 0.00 -0.52 0.00 0.00 52.55 51.16 3jur s ASP 134 Cb -0.17 -1.74 0.96 0.00 -1.46 0.00 0.00 42.92 40.50 3jur s ASP 134 CO 0.02 -0.25 1.81 0.61 0.52 0.00 0.00 175.17 177.88 3jur n GLY 135 N 4.68 -1.59 2.57 2.66 0.00 -0.52 -0.40 105.19 112.58 3jur n GLY 135 Ca -0.14 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3jur n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3jur n SER 136 N -1.99 -5.43 -4.74 1.61 7.64 -0.99 -4.63 113.62 105.09 3jur n SER 136 Ca 0.06 0.47 -0.41 0.00 1.01 0.00 0.00 58.87 60.00 3jur n SER 136 Cb 0.38 -4.69 -0.05 0.00 -1.01 0.00 0.00 64.21 58.84 3jur n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jur s ALA 137 N -2.76 3.31 0.00 -0.43 0.00 -0.43 -4.74 121.76 116.71 3jur s ALA 137 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3jur s ALA 137 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3jur s ALA 137 CO 0.00 0.07 0.00 -0.40 0.00 0.00 0.00 175.76 175.43 3jur n ASP 138 N 2.04 0.00 0.00 0.00 5.68 -0.75 -4.65 116.55 118.88 3jur n ASP 138 Ca 0.00 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 3jur n ASP 138 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3jur n ASP 138 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3jur n ASN 139 N -1.06 0.00 -0.00 -1.12 3.02 -1.26 -1.65 115.26 113.19 3jur n ASN 139 Ca 0.00 0.44 0.03 0.00 -0.03 0.00 0.00 54.58 55.02 3jur n ASN 139 Cb 0.00 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 3jur n ASN 139 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jur n GLU 140 N -1.44 2.31 -4.27 3.52 1.02 -1.26 -4.17 120.64 116.36 3jur n GLU 140 Ca 0.00 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.85 3jur n GLU 140 Cb 0.01 -0.99 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 3jur n GLU 140 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3jur s HIS 141 N -2.05 1.56 0.00 -0.32 3.76 -0.66 -4.88 115.29 112.71 3jur s HIS 141 Ca -0.00 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 3jur s HIS 141 Cb 0.04 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.53 3jur s HIS 141 CO 0.25 -0.41 0.00 0.91 -0.85 0.00 0.00 174.74 174.64 3jur n TRP 142 N 4.36 0.00 -0.29 1.40 7.02 -1.26 -1.81 117.44 126.85 3jur n TRP 142 Ca -0.18 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.42 3jur n TRP 142 Cb 0.51 0.00 0.37 0.00 -2.42 0.00 0.00 31.31 29.77 3jur n TRP 142 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 3jur h TRP 143 N 0.00 0.86 -0.15 -5.99 6.55 -1.83 -1.85 115.95 113.54 3jur h TRP 143 Ca 0.00 0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.91 3jur h TRP 143 Cb 0.00 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.03 3jur h TRP 143 CO 0.00 0.29 0.20 -1.35 -1.05 0.00 0.00 178.44 176.53 3jur h PRO 144 N 0.70 0.00 0.00 0.49 0.11 -1.77 -1.70 132.00 129.83 3jur h PRO 144 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3jur h PRO 144 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3jur h PRO 144 CO -0.23 0.00 0.00 -1.49 -0.21 0.00 0.00 178.00 176.07 3jur h TRP 145 N 0.00 0.00 -0.54 0.65 4.06 -1.59 -2.50 115.95 116.03 3jur h TRP 145 Ca 0.07 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.92 3jur h TRP 145 Cb 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 3jur h TRP 145 CO 0.00 0.00 -0.04 -0.22 -3.56 0.00 0.00 178.44 174.62 3jur h LYS 146 N 0.00 0.96 0.00 0.49 1.63 -1.50 0.41 116.57 118.56 3jur h LYS 146 Ca 0.00 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 3jur h LYS 146 Cb 0.19 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3jur h LYS 146 CO 0.00 0.98 0.00 0.41 -3.45 0.00 0.00 179.45 177.39 3jur n GLY 147 N -0.43 0.90 3.73 5.01 0.00 -0.94 -4.53 105.19 108.92 3jur n GLY 147 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3jur n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jur s LYS 148 N -0.98 4.30 0.37 1.61 1.02 -1.26 -4.90 119.74 119.89 3jur s LYS 148 Ca 0.00 0.31 0.05 0.00 0.02 0.00 0.00 55.97 56.36 3jur s LYS 148 Cb 0.00 -3.43 0.72 0.00 -0.52 0.00 0.00 37.83 34.61 3jur s LYS 148 CO 0.00 0.20 1.98 0.87 -0.92 0.00 0.00 175.35 177.48 3jur h LYS 149 N 6.66 0.57 0.00 1.68 1.57 -1.95 -2.33 116.57 122.77 3jur h LYS 149 Ca -0.41 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3jur h LYS 149 Cb 1.17 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3jur h LYS 149 CO 0.75 0.46 0.00 -0.44 -0.57 0.00 0.00 179.45 179.66 3jur h ASP 150 N 0.57 0.00 0.00 0.86 5.19 -1.93 -2.58 116.42 118.53 3jur h ASP 150 Ca 0.14 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3jur h ASP 150 Cb 0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3jur h ASP 150 CO -0.02 0.00 -0.49 0.49 -3.12 0.00 0.00 179.24 176.10 3jur n PHE 151 N -3.05 0.00 0.00 4.55 3.72 -0.92 -4.99 117.46 116.77 3jur n PHE 151 Ca -0.02 -1.40 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 3jur n PHE 151 Cb 0.11 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3jur n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jur n GLY 152 N -1.05 0.49 3.71 1.37 0.00 -0.97 -3.20 105.19 105.54 3jur n GLY 152 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3jur n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jur s TRP 153 N -2.00 3.33 -0.08 1.61 -0.00 -0.96 -4.77 118.94 116.08 3jur s TRP 153 Ca 0.00 1.13 -0.04 0.00 -0.00 0.00 0.00 56.10 57.20 3jur s TRP 153 Cb 0.00 -3.54 -0.04 0.00 -0.00 0.00 0.00 33.47 29.89 3jur s TRP 153 CO 0.00 -1.79 0.09 0.15 -0.00 0.00 0.00 176.95 175.40 3jur s LYS 154 N 1.15 3.23 0.10 5.86 -0.14 -1.26 -4.26 119.74 124.41 3jur s LYS 154 Ca 0.61 -0.29 -0.35 0.00 -1.36 0.00 0.00 55.97 54.58 3jur s LYS 154 Cb -0.33 -3.00 -0.15 0.00 -1.68 0.00 0.00 37.83 32.68 3jur s LYS 154 CO 0.29 0.73 1.54 -1.91 -0.76 0.00 0.00 175.35 175.24 3jur n GLU 155 N 1.84 1.82 0.00 1.68 4.07 -1.26 -1.60 120.64 127.19 3jur n GLU 155 Ca -0.18 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 3jur n GLU 155 Cb 0.54 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.53 3jur n GLU 155 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3jur n GLY 156 N 3.26 1.98 3.90 8.31 0.00 -1.26 -5.06 105.19 116.33 3jur n GLY 156 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3jur n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jur s LEU 157 N 0.00 3.99 0.72 0.99 1.02 -0.62 -5.07 118.68 119.70 3jur s LEU 157 Ca 0.00 0.79 -0.15 0.00 0.02 0.00 0.00 54.13 54.79 3jur s LEU 157 Cb 0.00 -3.63 0.03 0.00 0.02 0.00 0.00 46.19 42.62 3jur s LEU 157 CO 0.00 -0.26 1.17 -2.16 0.02 0.00 0.00 176.35 175.12 3jur s PRO 158 N -3.73 2.26 0.30 1.29 0.04 -1.26 -4.87 135.00 129.04 3jur s PRO 158 Ca 0.45 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 3jur s PRO 158 Cb -0.10 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 3jur s PRO 158 CO 0.31 -1.71 0.38 0.54 0.04 0.00 0.00 177.00 176.56 3jur s ASN 159 N -2.26 0.82 0.16 6.66 2.20 -1.26 -4.64 114.94 116.61 3jur s ASN 159 Ca 0.71 -1.45 0.22 0.00 -0.94 0.00 0.00 52.86 51.40 3jur s ASN 159 Cb -0.26 0.59 0.88 0.00 -2.00 0.00 0.00 41.25 40.46 3jur s ASN 159 CO 0.45 -1.16 1.68 0.00 -2.94 0.00 0.00 177.10 175.13 3jur n GLN 160 N -0.51 0.14 -0.15 3.55 10.64 0.14 -4.35 117.38 126.84 3jur n GLN 160 Ca 0.02 0.30 -0.03 0.00 -1.83 0.00 0.00 57.00 55.47 3jur n GLN 160 Cb 0.62 -1.73 0.06 0.00 -0.86 0.00 0.00 30.24 28.33 3jur n GLN 160 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3jur h GLN 161 N 0.00 0.22 -0.24 2.61 4.20 -1.87 -0.82 115.11 119.21 3jur h GLN 161 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3jur h GLN 161 Cb 0.41 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3jur h GLN 161 CO 0.00 0.14 0.00 0.93 -0.67 0.00 0.00 178.83 179.24 3jur h GLU 162 N 0.22 0.42 -0.40 1.46 4.39 -2.00 -2.22 114.58 116.45 3jur h GLU 162 Ca 0.23 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3jur h GLU 162 Cb 0.31 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3jur h GLU 162 CO -0.31 0.60 0.12 -0.44 -1.16 0.00 0.00 179.01 177.82 3jur h ASP 163 N 0.20 0.53 0.20 1.42 3.32 -1.76 0.80 116.42 121.13 3jur h ASP 163 Ca 0.07 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3jur h ASP 163 Cb 0.40 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3jur h ASP 163 CO 0.01 0.51 -0.10 0.58 -1.72 0.00 0.00 179.24 178.53 3jur h VAL 164 N 0.57 0.87 -0.63 -1.35 2.07 -1.05 0.14 116.25 116.87 3jur h VAL 164 Ca 0.14 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3jur h VAL 164 Cb 0.18 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3jur h VAL 164 CO -0.01 0.08 0.31 0.50 0.02 0.00 0.00 177.57 178.47 3jur h LYS 165 N -0.44 0.55 -0.26 1.57 3.64 -1.10 -1.45 116.57 119.07 3jur h LYS 165 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3jur h LYS 165 Cb 0.34 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3jur h LYS 165 CO 0.05 0.36 0.17 -0.22 -2.27 0.00 0.00 179.45 177.53 3jur h LYS 166 N 0.56 0.35 -0.88 1.90 1.63 -0.72 -2.53 116.57 116.90 3jur h LYS 166 Ca 0.30 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.05 3jur h LYS 166 Cb 0.27 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3jur h LYS 166 CO -0.23 0.26 0.48 1.25 -3.45 0.00 0.00 179.45 177.76 3jur h LEU 167 N 0.34 1.10 -0.29 5.20 5.85 -0.66 -1.90 115.31 124.96 3jur h LEU 167 Ca 0.10 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3jur h LEU 167 Cb -0.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 3jur h LEU 167 CO -0.02 0.89 0.05 0.11 -0.34 0.00 0.00 178.44 179.13 3jur h LYS 168 N 1.23 0.15 -0.77 1.25 1.79 -1.08 -2.01 116.57 117.13 3jur h LYS 168 Ca 0.31 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.74 3jur h LYS 168 Cb 0.04 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3jur h LYS 168 CO -0.05 0.10 0.35 0.93 -1.08 0.00 0.00 179.45 179.70 3jur h GLU 169 N 0.15 1.12 -0.37 3.15 5.08 -1.09 -0.76 114.58 121.86 3jur h GLU 169 Ca 0.13 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3jur h GLU 169 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3jur h GLU 169 CO -0.18 0.89 0.20 0.52 -1.00 0.00 0.00 179.01 179.43 3jur h MET 170 N 1.09 0.51 -0.26 2.33 2.86 -1.20 0.39 114.93 120.66 3jur h MET 170 Ca 0.26 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 3jur h MET 170 Cb 0.15 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3jur h MET 170 CO -0.03 0.42 -0.19 0.00 1.06 0.00 0.00 176.91 178.17 3jur h ALA 171 N 1.07 1.20 0.01 6.32 0.00 -1.16 -1.32 119.26 125.37 3jur h ALA 171 Ca 0.13 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3jur h ALA 171 Cb 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.74 3jur h ALA 171 CO -0.02 0.51 -0.78 1.49 0.00 0.00 0.00 179.25 180.45 3jur h GLU 172 N 0.42 0.51 0.00 0.00 4.22 -0.91 -3.21 114.58 115.61 3jur h GLU 172 Ca 0.07 -0.56 0.00 0.00 0.08 0.00 0.00 59.36 58.95 3jur h GLU 172 Cb 0.57 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3jur h GLU 172 CO 0.04 1.19 0.00 0.54 -2.18 0.00 0.00 179.01 178.60 3jur n ARG 173 N -4.08 0.50 -0.73 1.92 5.12 0.11 -4.93 116.66 114.57 3jur n ARG 173 Ca -0.11 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3jur n ARG 173 Cb 0.76 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 3jur n ARG 173 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jur n GLY 174 N 1.13 0.58 3.75 -0.13 0.00 -0.59 -5.03 105.19 104.90 3jur n GLY 174 Ca 0.15 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3jur n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jur s THR 175 N -2.00 2.53 0.55 2.61 -4.23 -0.64 -4.92 115.64 109.54 3jur s THR 175 Ca 0.00 0.46 -0.19 0.00 -1.18 0.00 0.00 61.69 60.78 3jur s THR 175 Cb 0.00 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.47 3jur s THR 175 CO 0.00 0.08 0.76 -2.65 -0.54 0.00 0.00 174.62 172.27 3jur n PRO 176 N 1.98 0.78 -0.34 3.99 -0.02 -1.26 -4.77 135.00 135.35 3jur n PRO 176 Ca 0.06 0.30 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 3jur n PRO 176 Cb 0.40 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.20 3jur n PRO 176 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3jur h VAL 177 N 0.56 0.89 0.00 -1.45 2.07 -1.91 -1.83 116.25 114.58 3jur h VAL 177 Ca -0.46 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3jur h VAL 177 Cb 1.38 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3jur h VAL 177 CO 0.50 0.17 -0.02 -0.33 0.02 0.00 0.00 177.57 177.91 3jur h GLU 178 N 0.92 0.00 -0.02 1.57 3.07 -1.96 -1.30 114.58 116.86 3jur h GLU 178 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 3jur h GLU 178 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3jur h GLU 178 CO -0.27 0.02 0.00 0.39 -1.40 0.00 0.00 179.01 177.75 3jur n GLU 179 N -3.16 1.71 -2.72 2.33 1.02 -0.69 -4.52 120.64 114.60 3jur n GLU 179 Ca -0.01 -1.03 -0.43 0.00 -0.02 0.00 0.00 57.16 55.68 3jur n GLU 179 Cb 0.23 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 3jur n GLU 179 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jur n ARG 180 N 0.25 4.13 -3.52 3.49 1.74 -0.49 -4.99 116.66 117.26 3jur n ARG 180 Ca 0.19 -4.13 -0.39 0.00 -0.77 0.00 0.00 57.85 52.75 3jur n ARG 180 Cb 0.37 -2.68 -0.10 0.00 -1.02 0.00 0.00 32.46 29.02 3jur n ARG 180 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jur s VAL 181 N -1.48 5.27 0.00 1.55 1.01 -1.26 -1.09 120.40 124.40 3jur s VAL 181 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3jur s VAL 181 Cb 0.07 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3jur s VAL 181 CO 0.07 0.15 0.00 0.49 0.00 0.00 0.00 175.10 175.81 3jur n PHE 182 N 5.15 0.00 0.00 5.22 3.72 -0.12 -5.01 117.46 126.42 3jur n PHE 182 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3jur n PHE 182 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3jur n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jur n GLY 183 N 5.00 3.45 3.69 1.37 0.00 -1.26 -4.77 105.19 112.68 3jur n GLY 183 Ca 0.00 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3jur n GLY 183 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3jur n LYS 184 N 13.51 2.21 -0.86 1.61 0.00 -1.26 -1.08 118.16 132.29 3jur n LYS 184 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 58.31 59.10 3jur n LYS 184 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 32.57 3jur n LYS 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3jur n GLY 185 N 1.89 1.21 3.43 3.14 0.00 -1.26 -5.00 105.19 108.60 3jur n GLY 185 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3jur n GLY 185 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jur s HIS 186 N -3.77 1.97 -0.35 1.61 3.76 -0.24 -5.10 115.29 113.17 3jur s HIS 186 Ca 0.00 -0.64 0.11 0.00 -0.15 0.00 0.00 55.06 54.38 3jur s HIS 186 Cb 0.00 -1.08 0.45 0.00 1.11 0.00 0.00 32.58 33.06 3jur s HIS 186 CO 0.00 0.34 1.10 0.66 -0.85 0.00 0.00 174.74 175.99 3jur n TYR 187 N -0.57 2.43 -3.62 1.40 4.01 -1.26 -4.76 117.16 114.79 3jur n TYR 187 Ca -0.06 -2.65 -0.39 0.00 -0.16 0.00 0.00 57.90 54.65 3jur n TYR 187 Cb 0.63 -0.24 -0.11 0.00 -0.31 0.00 0.00 39.34 39.31 3jur n TYR 187 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3jur s LEU 188 N -3.51 4.16 0.42 7.72 1.43 -1.26 -4.02 118.68 123.62 3jur s LEU 188 Ca 0.41 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 3jur s LEU 188 Cb 0.40 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 3jur s LEU 188 CO -0.06 -0.18 1.27 -0.13 0.23 0.00 0.00 176.35 177.48 3jur s ARG 189 N 1.66 3.90 0.69 1.70 0.52 -1.26 -4.73 118.95 121.42 3jur s ARG 189 Ca 0.05 2.06 -0.10 0.00 -0.52 0.00 0.00 55.73 57.22 3jur s ARG 189 Cb -0.17 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.65 3jur s ARG 189 CO 0.08 -0.52 1.06 -1.25 0.02 0.00 0.00 175.30 174.69 3jur s PRO 190 N -2.35 2.82 0.81 3.54 0.04 -1.26 -4.97 135.00 133.64 3jur s PRO 190 Ca 0.59 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 3jur s PRO 190 Cb -0.36 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.19 3jur s PRO 190 CO 0.45 -1.00 1.09 -1.12 0.04 0.00 0.00 177.00 176.46 3jur s SER 191 N -4.36 4.31 0.00 6.66 0.01 -1.26 -3.95 113.70 115.11 3jur s SER 191 Ca 0.58 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.28 3jur s SER 191 Cb -0.11 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3jur s SER 191 CO 0.50 -2.10 0.03 0.33 0.41 0.00 0.00 173.24 172.41 3jur n PHE 192 N -3.53 0.00 -3.72 2.43 -0.00 0.13 -2.97 117.46 109.80 3jur n PHE 192 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.15 3jur n PHE 192 Cb 0.55 -0.15 -0.12 0.00 -0.00 0.00 0.00 39.48 39.76 3jur n PHE 192 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3jur s VAL 193 N -0.37 4.41 -0.08 -2.13 1.01 0.35 -0.98 120.40 122.60 3jur s VAL 193 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3jur s VAL 193 Cb 0.00 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3jur s VAL 193 CO 0.00 0.25 -0.04 -1.58 0.00 0.00 0.00 175.10 173.73 3jur s GLN 194 N 1.61 1.02 -0.31 2.72 0.74 0.08 0.38 119.66 125.89 3jur s GLN 194 Ca 0.06 -0.07 -0.10 0.00 0.05 0.00 0.00 55.36 55.29 3jur s GLN 194 Cb -0.16 -1.20 -0.01 0.00 1.10 0.00 0.00 33.01 32.74 3jur s GLN 194 CO 0.05 -0.25 0.16 -0.06 -0.55 0.00 0.00 175.29 174.64 3jur s PHE 195 N 1.69 3.18 -0.24 1.67 0.08 -1.15 -1.59 117.98 121.62 3jur s PHE 195 Ca 0.02 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 3jur s PHE 195 Cb -0.13 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 3jur s PHE 195 CO -0.05 -0.44 0.00 -0.47 -0.10 0.00 0.00 175.22 174.16 3jur s TYR 196 N 1.63 3.02 -1.38 0.36 5.04 0.21 -0.06 117.35 126.17 3jur s TYR 196 Ca 0.05 -0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 53.79 3jur s TYR 196 Cb -0.17 -2.16 0.01 0.00 0.35 0.00 0.00 41.96 40.00 3jur s TYR 196 CO 0.07 -0.52 0.62 0.54 -1.34 0.00 0.00 175.55 174.91 3jur n ARG 197 N 4.83 -4.27 -3.77 4.97 1.74 0.33 -0.46 116.66 120.03 3jur n ARG 197 Ca -0.17 0.52 -0.21 0.00 -0.77 0.00 0.00 57.85 57.22 3jur n ARG 197 Cb 0.50 -4.95 -0.04 0.00 -1.02 0.00 0.00 32.46 26.96 3jur n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jur s ARG 199 N -4.02 0.13 -0.47 0.00 3.52 -0.65 -1.96 118.95 115.50 3jur s ARG 199 Ca 0.43 0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 56.32 3jur s ARG 199 Cb -0.05 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 3jur s ARG 199 CO 0.27 -0.11 0.48 0.09 -0.81 0.00 0.00 175.30 175.22 3jur n ASN 200 N 3.74 -6.15 -4.25 -2.12 3.02 -0.64 -0.99 115.26 107.86 3jur n ASN 200 Ca -0.21 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.08 3jur n ASN 200 Cb 0.55 -4.08 -0.17 0.00 -0.61 0.00 0.00 39.78 35.47 3jur n ASN 200 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 201 N -2.78 2.11 -0.09 2.41 1.01 -0.11 -1.89 120.40 121.07 3jur s VAL 201 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3jur s VAL 201 Cb -0.01 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3jur s VAL 201 CO 0.54 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.83 3jur s LEU 202 N 0.06 1.72 -0.18 3.92 2.96 -0.38 -0.41 118.68 126.38 3jur s LEU 202 Ca -0.10 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3jur s LEU 202 Cb -0.16 -1.00 0.03 0.00 0.50 0.00 0.00 46.19 45.57 3jur s LEU 202 CO 0.06 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.31 3jur s VAL 203 N 0.75 1.65 0.03 1.68 1.01 -0.06 -0.38 120.40 125.08 3jur s VAL 203 Ca -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3jur s VAL 203 Cb -0.16 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3jur s VAL 203 CO 0.03 0.33 0.03 -1.83 0.00 0.00 0.00 175.10 173.65 3jur s GLU 204 N 1.42 0.49 0.00 2.72 -1.05 0.47 -1.03 118.70 121.72 3jur s GLU 204 Ca 0.02 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 3jur s GLU 204 Cb -0.14 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 3jur s GLU 204 CO -0.10 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.42 3jur n GLY 205 N 0.95 1.18 3.79 -3.83 0.00 -0.90 -3.66 105.19 102.73 3jur n GLY 205 Ca -0.20 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3jur n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jur s VAL 206 N -0.00 3.68 -0.16 1.61 -7.23 -1.07 -4.51 120.40 112.71 3jur s VAL 206 Ca 0.00 0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 61.00 3jur s VAL 206 Cb 0.00 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 3jur s VAL 206 CO 0.00 -0.37 0.06 -0.75 -0.31 0.00 0.00 175.10 173.72 3jur s LYS 207 N -3.74 3.79 -0.19 4.82 2.20 -0.24 -1.85 119.74 124.52 3jur s LYS 207 Ca 0.66 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.91 3jur s LYS 207 Cb -0.17 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3jur s LYS 207 CO 0.31 0.38 -0.08 0.42 -0.36 0.00 0.00 175.35 176.02 3jur s ILE 208 N 0.07 3.13 0.15 5.43 1.01 0.28 0.38 121.20 131.65 3jur s ILE 208 Ca 0.05 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3jur s ILE 208 Cb -0.12 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3jur s ILE 208 CO 0.01 0.46 -0.06 0.27 0.00 0.00 0.00 174.94 175.62 3jur s ILE 209 N 1.19 0.95 -1.31 2.92 -4.36 -0.49 -1.19 121.20 118.92 3jur s ILE 209 Ca 0.02 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.35 3jur s ILE 209 Cb -0.14 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.62 3jur s ILE 209 CO -0.03 -0.65 0.60 0.59 0.24 0.00 0.00 174.94 175.69 3jur n ASN 210 N -0.21 -1.78 -4.74 4.36 3.02 -1.26 -1.44 115.26 113.21 3jur n ASN 210 Ca -0.09 -0.94 -0.40 0.00 -0.03 0.00 0.00 54.58 53.12 3jur n ASN 210 Cb 0.62 -3.50 -0.05 0.00 -0.61 0.00 0.00 39.78 36.23 3jur n ASN 210 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3jur s SER 211 N -4.16 7.56 0.22 6.41 0.15 -1.26 -1.31 113.70 121.30 3jur s SER 211 Ca 0.11 1.85 -0.09 0.00 0.70 0.00 0.00 55.95 58.53 3jur s SER 211 Cb -0.04 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 61.91 3jur s SER 211 CO 0.85 0.07 1.85 -0.65 1.20 0.00 0.00 173.24 176.57 3jur h PRO 212 N 4.76 0.87 0.00 5.44 0.11 -1.85 -3.44 132.00 137.89 3jur h PRO 212 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jur h PRO 212 Cb 1.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3jur h PRO 212 CO 0.69 0.58 0.00 -0.12 -0.21 0.00 0.00 178.00 178.94 3jur n MET 213 N -4.65 0.00 -2.00 1.05 1.56 -1.25 -4.66 117.12 107.17 3jur n MET 213 Ca 0.09 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.11 3jur n MET 213 Cb 0.11 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.46 3jur n MET 213 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 3jur s TRP 214 N 2.02 2.98 -0.10 1.12 0.51 -1.16 -4.12 118.94 120.20 3jur s TRP 214 Ca 0.00 1.07 -0.01 0.00 -2.12 0.00 0.00 56.10 55.04 3jur s TRP 214 Cb 0.00 -3.83 -0.00 0.00 -0.81 0.00 0.00 33.47 28.83 3jur s TRP 214 CO 0.00 -2.64 -0.01 0.00 -0.51 0.00 0.00 176.95 173.79 3jur s ILE 216 N -1.62 2.33 -0.50 0.00 1.01 -0.26 -0.50 121.20 121.66 3jur s ILE 216 Ca -0.01 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3jur s ILE 216 Cb 0.00 -2.00 0.18 0.00 0.01 0.00 0.00 42.46 40.65 3jur s ILE 216 CO 0.02 0.51 0.42 1.57 0.00 0.00 0.00 174.94 177.46 3jur n HIS 217 N 4.65 0.44 -2.56 3.97 -0.00 0.16 -0.59 115.22 121.30 3jur n HIS 217 Ca -0.20 -3.64 -0.41 0.00 0.46 0.00 0.00 57.72 53.93 3jur n HIS 217 Cb 0.50 -0.06 -0.04 0.00 -0.12 0.00 0.00 29.99 30.27 3jur n HIS 217 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3jur s PRO 218 N -0.58 4.60 -0.05 1.57 0.05 -1.24 -2.95 135.00 136.40 3jur s PRO 218 Ca 0.31 1.65 0.02 0.00 0.05 0.00 0.00 61.00 63.03 3jur s PRO 218 Cb 0.03 -3.32 0.02 0.00 0.05 0.00 0.00 34.50 31.29 3jur s PRO 218 CO -0.18 0.06 -0.09 0.08 0.05 0.00 0.00 177.00 176.92 3jur s VAL 219 N 0.02 0.89 -1.45 -0.36 1.01 0.92 -1.62 120.40 119.80 3jur s VAL 219 Ca 0.50 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 3jur s VAL 219 Cb -0.28 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.33 3jur s VAL 219 CO 0.33 0.30 0.75 0.18 0.00 0.00 0.00 175.10 176.65 3jur n LEU 220 N 3.85 -2.26 -4.52 3.92 4.77 -0.20 -0.51 117.00 122.05 3jur n LEU 220 Ca -0.24 -0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 54.94 3jur n LEU 220 Cb 0.52 -2.51 -0.10 0.00 -2.33 0.00 0.00 43.42 38.99 3jur n LEU 220 CO 0.25 0.32 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.74 3jur s SER 221 N -2.98 3.98 0.03 -1.43 0.01 -1.25 -3.90 113.70 108.16 3jur s SER 221 Ca 0.50 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 57.13 3jur s SER 221 Cb -0.25 -0.57 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 3jur s SER 221 CO 0.62 0.11 -0.13 -0.70 0.41 0.00 0.00 173.24 173.54 3jur s GLU 222 N -2.81 0.93 -0.68 12.44 2.12 -0.83 -1.62 118.70 128.25 3jur s GLU 222 Ca 0.24 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 3jur s GLU 222 Cb -0.08 -0.92 0.00 0.00 0.26 0.00 0.00 34.13 33.39 3jur s GLU 222 CO 0.14 0.23 0.68 -1.71 -0.54 0.00 0.00 175.26 174.06 3jur n ASN 223 N 2.09 -7.74 -4.25 -1.70 5.15 -0.65 -1.62 115.26 106.54 3jur n ASN 223 Ca -0.17 0.02 -0.32 0.00 -0.60 0.00 0.00 54.58 53.51 3jur n ASN 223 Cb 0.55 -5.20 -0.16 0.00 -0.53 0.00 0.00 39.78 34.44 3jur n ASN 223 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3jur s VAL 224 N -2.91 2.38 -0.17 3.44 1.01 -0.73 -0.93 120.40 122.48 3jur s VAL 224 Ca 0.05 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 3jur s VAL 224 Cb -0.01 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3jur s VAL 224 CO 0.76 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 175.63 3jur s ILE 225 N 0.50 2.69 -0.23 2.22 1.01 0.45 -0.54 121.20 127.29 3jur s ILE 225 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3jur s ILE 225 Cb -0.17 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.18 3jur s ILE 225 CO 0.05 0.50 -0.11 -0.63 0.00 0.00 0.00 174.94 174.75 3jur s ILE 226 N 1.03 2.47 -0.01 2.92 -1.09 0.69 -0.88 121.20 126.32 3jur s ILE 226 Ca -0.01 -1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 57.20 3jur s ILE 226 Cb -0.15 -2.23 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 3jur s ILE 226 CO -0.03 0.26 0.17 0.00 -1.23 0.00 0.00 174.94 174.10 3jur s ARG 227 N 1.27 0.46 -1.58 2.79 1.70 -0.20 -1.63 118.95 121.75 3jur s ARG 227 Ca -0.00 -0.24 -0.02 0.00 -0.47 0.00 0.00 55.73 55.00 3jur s ARG 227 Cb -0.16 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 3jur s ARG 227 CO -0.07 -0.11 0.20 0.09 -1.08 0.00 0.00 175.30 174.33 3jur n ASN 228 N 1.73 -5.54 -4.92 -2.89 4.13 -1.07 -2.30 115.26 104.39 3jur n ASN 228 Ca -0.21 -0.08 -0.21 0.00 1.68 0.00 0.00 54.58 55.76 3jur n ASN 228 Cb 0.56 -4.58 -0.03 0.00 -1.54 0.00 0.00 39.78 34.19 3jur n ASN 228 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3jur s ILE 229 N -3.01 4.70 -0.10 2.41 -4.36 -1.26 -2.12 121.20 117.45 3jur s ILE 229 Ca 0.11 -1.15 0.03 0.00 -0.26 0.00 0.00 60.65 59.38 3jur s ILE 229 Cb -0.05 -3.60 0.01 0.00 1.25 0.00 0.00 42.46 40.07 3jur s ILE 229 CO 0.13 -0.30 -0.20 -0.70 0.24 0.00 0.00 174.94 174.12 3jur s GLU 230 N -3.97 2.61 -0.19 0.37 2.12 -0.77 -0.93 118.70 117.95 3jur s GLU 230 Ca 0.36 -0.72 -0.08 0.00 0.36 0.00 0.00 54.97 54.89 3jur s GLU 230 Cb -0.08 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 3jur s GLU 230 CO 0.28 0.06 0.08 0.42 -0.54 0.00 0.00 175.26 175.57 3jur s ILE 231 N 0.62 4.99 -0.41 -3.70 -1.09 -0.10 -0.56 121.20 120.96 3jur s ILE 231 Ca -0.13 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.36 3jur s ILE 231 Cb -0.16 -3.26 0.16 0.00 -1.58 0.00 0.00 42.46 37.62 3jur s ILE 231 CO 0.04 0.46 0.37 -0.55 -1.23 0.00 0.00 174.94 174.02 3jur s SER 232 N 0.35 1.30 -0.24 3.58 0.15 -0.33 -0.41 113.70 118.11 3jur s SER 232 Ca 0.05 -2.47 -0.06 0.00 0.70 0.00 0.00 55.95 54.17 3jur s SER 232 Cb -0.12 0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.35 3jur s SER 232 CO -0.01 -0.20 0.47 -0.55 1.20 0.00 0.00 173.24 174.15 3jur s SER 233 N 0.60 -0.41 -0.22 5.45 0.15 -0.54 -4.05 113.70 114.67 3jur s SER 233 Ca 0.27 0.89 0.13 0.00 0.70 0.00 0.00 55.95 57.94 3jur s SER 233 Cb -0.05 1.54 0.48 0.00 -1.71 0.00 0.00 66.02 66.28 3jur s SER 233 CO -0.11 -0.25 1.39 0.35 1.20 0.00 0.00 173.24 175.82 3jur n THR 234 N 5.40 2.34 -1.49 6.45 -2.24 -1.26 -1.86 114.28 121.61 3jur n THR 234 Ca -0.07 -2.42 -0.20 0.00 -2.27 0.00 0.00 64.05 59.10 3jur n THR 234 Cb 0.50 -0.28 0.14 0.00 -2.10 0.00 0.00 70.33 68.59 3jur n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jur n GLY 235 N -0.96 -1.61 3.72 3.38 0.00 -1.26 -4.43 105.19 104.03 3jur n GLY 235 Ca 0.26 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3jur n GLY 235 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jur s PRO 236 N -4.91 4.40 -1.34 1.61 0.04 -1.26 -2.69 135.00 130.84 3jur s PRO 236 Ca 0.50 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 3jur s PRO 236 Cb -0.02 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3jur s PRO 236 CO 0.36 -0.29 0.31 0.09 0.04 0.00 0.00 177.00 177.51 3jur n ASN 237 N 3.44 -4.66 -3.59 6.66 5.03 -1.26 -4.73 115.26 116.15 3jur n ASN 237 Ca 0.08 -0.13 -0.41 0.00 0.87 0.00 0.00 54.58 54.99 3jur n ASN 237 Cb 0.44 -3.86 -0.01 0.00 -1.02 0.00 0.00 39.78 35.33 3jur n ASN 237 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3jur n ASN 238 N -2.17 6.14 -4.74 6.41 5.03 -1.09 -2.97 115.26 121.87 3jur n ASN 238 Ca -0.11 -2.84 -0.36 0.00 0.87 0.00 0.00 54.58 52.14 3jur n ASN 238 Cb 0.60 -1.56 0.06 0.00 -1.02 0.00 0.00 39.78 37.86 3jur n ASN 238 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3jur s ASP 239 N 2.13 4.70 0.00 6.41 1.11 -1.26 -2.64 116.67 127.12 3jur s ASP 239 Ca 0.54 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.78 3jur s ASP 239 Cb 0.15 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.53 3jur s ASP 239 CO -0.07 -1.93 0.08 0.61 1.18 0.00 0.00 175.17 175.04 3jur n GLY 240 N 0.70 0.12 3.11 0.21 0.00 -0.77 -1.32 105.19 107.24 3jur n GLY 240 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3jur n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jur s ILE 241 N -0.73 1.62 -0.60 -0.61 1.01 -0.09 -1.10 121.20 120.70 3jur s ILE 241 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3jur s ILE 241 Cb 0.00 -1.45 0.15 0.00 0.01 0.00 0.00 42.46 41.17 3jur s ILE 241 CO 0.00 0.46 0.37 -1.81 0.00 0.00 0.00 174.94 173.96 3jur s ASP 242 N 0.69 4.53 -0.31 3.58 1.01 0.25 -0.99 116.67 125.42 3jur s ASP 242 Ca -0.13 -3.40 -0.29 0.00 0.71 0.00 0.00 52.55 49.45 3jur s ASP 242 Cb -0.16 -1.63 -0.01 0.00 1.01 0.00 0.00 42.92 42.13 3jur s ASP 242 CO 0.03 -0.16 1.54 -2.84 0.21 0.00 0.00 175.17 173.95 3jur s PRO 243 N -0.82 3.65 -0.24 8.23 0.02 -1.13 -3.58 135.00 141.13 3jur s PRO 243 Ca 0.21 1.33 0.01 0.00 0.02 0.00 0.00 61.00 62.56 3jur s PRO 243 Cb -0.16 -4.04 0.04 0.00 0.02 0.00 0.00 34.50 30.36 3jur s PRO 243 CO -0.08 -1.47 -0.11 -2.00 -0.33 0.00 0.00 177.00 173.02 3jur s GLU 244 N 4.88 2.61 -1.46 5.54 2.12 -0.64 -0.68 118.70 131.07 3jur s GLU 244 Ca 0.68 -1.11 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 3jur s GLU 244 Cb -0.20 -2.86 0.04 0.00 0.26 0.00 0.00 34.13 31.38 3jur s GLU 244 CO 0.30 -0.44 0.64 0.43 -0.54 0.00 0.00 175.26 175.66 3jur n SER 245 N 4.56 -1.83 -4.82 -1.70 7.64 -0.35 -1.03 113.62 116.09 3jur n SER 245 Ca -0.16 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.54 3jur n SER 245 Cb 0.46 -3.37 -0.05 0.00 -1.01 0.00 0.00 64.21 60.24 3jur n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jur s LYS 247 N -3.32 0.35 -0.33 0.00 2.20 -0.64 -1.17 119.74 116.83 3jur s LYS 247 Ca 0.32 -0.06 -0.08 0.00 -0.36 0.00 0.00 55.97 55.78 3jur s LYS 247 Cb -0.10 -0.40 0.01 0.00 -1.51 0.00 0.00 37.83 35.84 3jur s LYS 247 CO 0.24 -0.00 0.31 0.66 -0.36 0.00 0.00 175.35 176.20 3jur n TYR 248 N 3.44 -3.19 -4.00 4.03 4.01 -0.96 -2.32 117.16 118.18 3jur n TYR 248 Ca -0.18 1.34 -0.13 0.00 -0.16 0.00 0.00 57.90 58.77 3jur n TYR 248 Cb 0.55 -3.71 -0.14 0.00 -0.31 0.00 0.00 39.34 35.73 3jur n TYR 248 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3jur s MET 249 N -2.00 0.23 -0.11 -0.72 1.75 -0.87 -1.64 119.30 115.94 3jur s MET 249 Ca 0.13 -0.20 0.02 0.00 -1.25 0.00 0.00 55.69 54.39 3jur s MET 249 Cb -0.04 -0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.50 3jur s MET 249 CO 0.67 0.04 -0.16 -1.17 -0.65 0.00 0.00 175.02 173.75 3jur s LEU 250 N -0.35 1.76 -0.27 4.11 2.96 0.30 -0.63 118.68 126.56 3jur s LEU 250 Ca -0.02 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3jur s LEU 250 Cb -0.03 -1.11 0.07 0.00 0.50 0.00 0.00 46.19 45.62 3jur s LEU 250 CO -0.00 0.02 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.34 3jur s ILE 251 N 0.95 2.20 0.02 6.68 1.01 0.44 -0.22 121.20 132.28 3jur s ILE 251 Ca -0.07 -1.75 -0.00 0.00 0.00 0.00 0.00 60.65 58.82 3jur s ILE 251 Cb -0.15 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3jur s ILE 251 CO -0.01 -0.13 -0.03 -1.83 0.00 0.00 0.00 174.94 172.94 3jur s GLU 252 N 1.07 0.36 -2.06 2.79 -1.05 -0.65 -0.92 118.70 118.23 3jur s GLU 252 Ca -0.06 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 3jur s GLU 252 Cb -0.20 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.60 3jur s GLU 252 CO -0.05 -0.06 0.00 1.63 0.95 0.00 0.00 175.26 177.73 3jur n LYS 253 N 1.39 -1.53 -3.35 -4.83 4.76 -1.01 -2.61 118.16 110.97 3jur n LYS 253 Ca -0.23 1.16 -0.27 0.00 -2.87 0.00 0.00 58.31 56.10 3jur n LYS 253 Cb 0.56 -5.64 -0.02 0.00 -1.84 0.00 0.00 35.03 28.08 3jur n LYS 253 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3jur s ARG 255 N -3.84 2.73 -0.02 0.00 6.06 -0.10 -1.02 118.95 122.75 3jur s ARG 255 Ca 0.42 -0.85 0.05 0.00 -2.50 0.00 0.00 55.73 52.86 3jur s ARG 255 Cb -0.10 -2.27 -0.01 0.00 0.06 0.00 0.00 34.95 32.62 3jur s ARG 255 CO 0.33 0.36 -0.18 -0.06 -2.50 0.00 0.00 175.30 173.24 3jur s PHE 256 N -0.09 1.70 -0.19 5.12 0.08 -0.07 -0.92 117.98 123.60 3jur s PHE 256 Ca -0.05 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.58 3jur s PHE 256 Cb -0.14 -1.11 0.07 0.00 -0.57 0.00 0.00 43.02 41.27 3jur s PHE 256 CO 0.04 -0.07 0.12 0.34 -0.10 0.00 0.00 175.22 175.55 3jur s ASP 257 N -0.29 2.26 0.15 1.36 2.15 0.46 -2.45 116.67 120.30 3jur s ASP 257 Ca 0.04 -0.61 0.08 0.00 0.43 0.00 0.00 52.55 52.49 3jur s ASP 257 Cb -0.09 -0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.38 3jur s ASP 257 CO 0.00 -0.36 -0.17 0.42 -0.17 0.00 0.00 175.17 174.89 3jur s THR 258 N 2.18 1.66 -0.92 1.71 -4.23 -1.26 -1.47 115.64 113.32 3jur s THR 258 Ca 0.04 -1.82 0.26 0.00 -1.18 0.00 0.00 61.69 58.99 3jur s THR 258 Cb -0.16 -1.72 0.08 0.00 1.34 0.00 0.00 72.50 72.04 3jur s THR 258 CO -0.13 -0.32 1.52 0.61 -0.54 0.00 0.00 174.62 175.76 3jur n GLY 259 N 0.44 -1.36 0.00 3.99 0.00 -0.78 -2.24 105.19 105.24 3jur n GLY 259 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3jur n GLY 259 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3jur n ASP 260 N -1.65 0.00 -4.74 1.61 -0.08 -1.21 -4.60 116.55 105.87 3jur n ASP 260 Ca 0.05 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.92 3jur n ASP 260 Cb 0.36 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.80 3jur n ASP 260 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3jur s ASP 261 N 1.00 6.39 -0.04 1.67 1.01 -1.26 -2.00 116.67 123.43 3jur s ASP 261 Ca 0.00 2.92 -0.11 0.00 0.71 0.00 0.00 52.55 56.07 3jur s ASP 261 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 3jur s ASP 261 CO 0.00 -0.91 0.48 0.28 0.21 0.00 0.00 175.17 175.22 3jur h SER 262 N 5.26 -0.33 -3.10 0.27 0.02 -1.32 -2.06 113.55 112.31 3jur h SER 262 Ca -0.46 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 59.83 3jur h SER 262 Cb 1.22 0.08 -0.35 0.00 0.14 0.00 0.00 62.40 63.49 3jur h SER 262 CO 0.83 0.07 -0.86 -0.69 -1.14 0.00 0.00 176.83 175.04 3jur s VAL 263 N -2.81 2.09 -0.09 2.27 1.01 -1.10 -0.91 120.40 120.85 3jur s VAL 263 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3jur s VAL 263 Cb 0.01 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3jur s VAL 263 CO 0.17 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 175.04 3jur s VAL 264 N 1.19 0.96 -0.25 2.92 1.01 -0.16 -0.34 120.40 125.73 3jur s VAL 264 Ca 0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 3jur s VAL 264 Cb -0.14 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3jur s VAL 264 CO -0.11 0.35 0.15 -0.63 0.00 0.00 0.00 175.10 174.87 3jur s ILE 265 N 1.45 5.16 0.33 2.22 1.01 0.11 -2.82 121.20 128.66 3jur s ILE 265 Ca -0.00 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.79 3jur s ILE 265 Cb -0.13 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3jur s ILE 265 CO -0.05 0.31 0.10 -0.54 0.00 0.00 0.00 174.94 174.77 3jur s LYS 266 N 1.39 1.67 -0.31 2.79 1.02 0.14 -1.58 119.74 124.85 3jur s LYS 266 Ca 0.07 -1.95 0.09 0.00 0.02 0.00 0.00 55.97 54.19 3jur s LYS 266 Cb -0.15 -0.54 0.31 0.00 -0.52 0.00 0.00 37.83 36.93 3jur s LYS 266 CO 0.07 -0.34 1.29 -1.13 -0.92 0.00 0.00 175.35 174.32 3jur n SER 267 N -0.85 -1.39 0.00 2.83 3.41 0.75 -1.21 113.62 117.17 3jur n SER 267 Ca -0.02 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 3jur n SER 267 Cb 0.66 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 3jur n SER 267 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jur n GLY 268 N -0.90 -1.33 3.38 5.00 0.00 -1.23 -1.36 105.19 108.75 3jur n GLY 268 Ca -0.12 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3jur n GLY 268 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jur s ARG 269 N -3.11 3.21 3.40 1.61 3.52 -0.43 -1.34 118.95 125.81 3jur s ARG 269 Ca 0.00 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 3jur s ARG 269 Cb 0.00 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 3jur s ARG 269 CO 0.00 0.29 0.00 -0.25 -0.81 0.00 0.00 175.30 174.53 3jur n ASP 270 N 3.30 0.00 -0.36 -2.12 8.00 -1.26 -2.10 116.55 122.01 3jur n ASP 270 Ca -0.18 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.37 3jur n ASP 270 Cb 0.53 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.83 3jur n ASP 270 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jur h ALA 271 N -0.47 1.45 -0.32 2.24 0.00 -1.86 -0.82 119.26 119.47 3jur h ALA 271 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3jur h ALA 271 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3jur h ALA 271 CO 0.00 0.31 0.03 0.22 0.00 0.00 0.00 179.25 179.82 3jur h ASP 272 N 1.06 0.53 -0.60 0.00 3.58 -1.72 0.14 116.42 119.41 3jur h ASP 272 Ca 0.47 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3jur h ASP 272 Cb 0.35 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 3jur h ASP 272 CO -0.23 0.68 0.33 1.23 -2.88 0.00 0.00 179.24 178.37 3jur h GLY 273 N 0.37 0.89 1.28 -0.78 0.00 -1.02 -2.23 103.07 101.58 3jur h GLY 273 Ca 0.10 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 3jur h GLY 273 CO 0.01 0.38 -0.08 3.21 0.00 0.00 0.00 176.54 180.07 3jur h ARG 274 N 0.81 0.86 -0.05 4.80 3.08 -1.05 0.20 114.38 123.03 3jur h ARG 274 Ca 0.21 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3jur h ARG 274 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3jur h ARG 274 CO -0.03 0.91 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.60 3jur h ARG 275 N 0.78 -0.12 -0.24 0.04 2.43 -0.53 -2.95 114.38 113.79 3jur h ARG 275 Ca 0.13 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.12 3jur h ARG 275 Cb 0.58 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3jur h ARG 275 CO 0.04 -0.08 -0.61 0.82 -1.51 0.00 0.00 179.97 178.62 3jur h ILE 276 N -0.12 1.28 -6.33 1.20 2.04 -1.33 -3.48 117.51 110.76 3jur h ILE 276 Ca 0.05 -1.80 -0.47 0.00 1.00 0.00 0.00 64.86 63.64 3jur h ILE 276 Cb 0.19 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3jur h ILE 276 CO -0.12 0.58 -0.81 0.61 0.00 0.00 0.00 178.15 178.41 3jur n GLY 277 N 0.48 -0.39 3.24 5.37 0.00 0.69 -4.99 105.19 109.60 3jur n GLY 277 Ca -0.06 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3jur n GLY 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 278 N -3.51 2.73 0.57 1.61 1.01 -1.26 -5.00 120.40 116.55 3jur s VAL 278 Ca 0.39 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3jur s VAL 278 Cb -0.20 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 3jur s VAL 278 CO 0.85 0.49 1.00 -2.16 0.00 0.00 0.00 175.10 175.27 3jur s PRO 279 N 1.16 3.74 -0.05 2.72 0.04 -1.11 -4.52 135.00 136.98 3jur s PRO 279 Ca 0.01 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 3jur s PRO 279 Cb -0.14 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3jur s PRO 279 CO -0.05 -0.42 0.90 -1.12 0.04 0.00 0.00 177.00 176.36 3jur s SER 280 N -3.70 7.21 0.05 6.66 0.01 -0.84 -4.00 113.70 119.09 3jur s SER 280 Ca 0.56 1.47 -0.20 0.00 1.31 0.00 0.00 55.95 59.10 3jur s SER 280 Cb -0.11 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.65 3jur s SER 280 CO 0.44 -0.28 0.45 -1.83 0.41 0.00 0.00 173.24 172.43 3jur s GLU 281 N 1.28 0.97 -1.03 12.44 -1.05 -0.32 -1.69 118.70 129.30 3jur s GLU 281 Ca 0.46 -0.33 -0.09 0.00 -0.15 0.00 0.00 54.97 54.87 3jur s GLU 281 Cb -0.19 0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 33.89 3jur s GLU 281 CO 0.22 -0.34 0.86 0.66 0.95 0.00 0.00 175.26 177.61 3jur n TYR 282 N 0.43 -2.38 -4.32 4.83 4.01 -0.64 -2.74 117.16 116.34 3jur n TYR 282 Ca -0.18 0.79 -0.34 0.00 -0.16 0.00 0.00 57.90 58.01 3jur n TYR 282 Cb 0.60 -3.94 -0.14 0.00 -0.31 0.00 0.00 39.34 35.55 3jur n TYR 282 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3jur s ILE 283 N -3.36 3.03 -0.18 -0.72 -1.09 -1.13 -2.06 121.20 115.70 3jur s ILE 283 Ca 0.41 -0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 3jur s ILE 283 Cb -0.08 -2.32 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3jur s ILE 283 CO 0.77 0.49 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.69 3jur s LEU 284 N 0.96 2.94 -0.24 2.97 2.96 0.20 -1.31 118.68 127.15 3jur s LEU 284 Ca -0.02 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3jur s LEU 284 Cb -0.15 -1.72 0.07 0.00 0.50 0.00 0.00 46.19 44.89 3jur s LEU 284 CO -0.01 0.07 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.38 3jur s VAL 285 N 0.94 1.39 -0.02 1.68 1.01 0.22 -0.42 120.40 125.20 3jur s VAL 285 Ca -0.01 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 3jur s VAL 285 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.50 3jur s VAL 285 CO 0.01 -0.20 0.18 0.00 0.00 0.00 0.00 175.10 175.08 3jur s ARG 286 N 1.44 0.44 -1.55 2.72 1.70 -0.10 -0.36 118.95 123.25 3jur s ARG 286 Ca -0.03 -0.18 -0.05 0.00 -0.47 0.00 0.00 55.73 55.00 3jur s ARG 286 Cb -0.18 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.40 3jur s ARG 286 CO -0.08 -0.10 0.63 -0.25 -1.08 0.00 0.00 175.30 174.41 3jur n ASP 287 N 1.85 -6.03 -4.95 -2.89 8.00 -1.04 -2.88 116.55 108.60 3jur n ASP 287 Ca -0.20 -0.30 -0.24 0.00 0.71 0.00 0.00 54.79 54.76 3jur n ASP 287 Cb 0.56 -4.87 -0.03 0.00 -0.02 0.00 0.00 41.12 36.77 3jur n ASP 287 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3jur s ASN 288 N -2.73 6.32 -0.12 -2.24 0.01 -1.26 -2.42 114.94 112.50 3jur s ASN 288 Ca 0.32 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 3jur s ASN 288 Cb -0.14 -1.88 0.01 0.00 0.41 0.00 0.00 41.25 39.65 3jur s ASN 288 CO 0.40 -0.01 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.59 3jur s LEU 289 N -3.59 1.82 -0.22 0.60 2.96 -0.19 -0.77 118.68 119.28 3jur s LEU 289 Ca 0.34 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3jur s LEU 289 Cb -0.10 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.41 3jur s LEU 289 CO 0.29 0.02 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.54 3jur s VAL 290 N 1.03 2.63 -0.34 1.68 1.01 0.49 -0.89 120.40 126.01 3jur s VAL 290 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3jur s VAL 290 Cb -0.15 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.07 3jur s VAL 290 CO -0.03 0.32 0.05 -0.63 0.00 0.00 0.00 175.10 174.81 3jur s ILE 291 N 1.32 2.18 -0.29 2.22 1.01 -1.02 0.75 121.20 127.36 3jur s ILE 291 Ca 0.02 -2.29 0.02 0.00 0.00 0.00 0.00 60.65 58.40 3jur s ILE 291 Cb -0.15 -2.62 0.20 0.00 0.01 0.00 0.00 42.46 39.89 3jur s ILE 291 CO -0.07 -0.61 0.68 -0.55 0.00 0.00 0.00 174.94 174.39 3jur s SER 292 N 0.94 -1.38 0.28 3.58 0.15 -0.31 -4.50 113.70 112.48 3jur s SER 292 Ca 0.11 0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.98 3jur s SER 292 Cb -0.19 1.91 0.39 0.00 -1.71 0.00 0.00 66.02 66.41 3jur s SER 292 CO -0.09 -0.25 1.90 -0.61 1.20 0.00 0.00 173.24 175.39 3jur h GLN 293 N 7.88 1.04 0.00 5.44 5.75 -1.78 -2.93 115.11 130.50 3jur h GLN 293 Ca -0.05 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3jur h GLN 293 Cb 1.18 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.53 3jur h GLN 293 CO 0.11 0.77 -0.00 0.00 -2.65 0.00 0.00 178.83 177.06 3jur h ALA 294 N 1.40 1.00 -2.75 3.38 0.00 -1.85 -3.41 119.26 117.04 3jur h ALA 294 Ca 0.26 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.64 3jur h ALA 294 Cb 0.04 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.91 3jur h ALA 294 CO -0.04 0.00 0.90 0.45 0.00 0.00 0.00 179.25 180.56 3jur n SER 295 N -3.10 3.87 0.01 0.00 2.88 -0.95 -4.34 113.62 111.99 3jur n SER 295 Ca 0.02 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 3jur n SER 295 Cb 0.43 -1.59 0.41 0.00 -0.75 0.00 0.00 64.21 62.71 3jur n SER 295 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3jur n HIS 296 N 2.46 0.09 0.00 0.66 -0.00 -0.85 -1.62 115.22 115.97 3jur n HIS 296 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 3jur n HIS 296 Cb 0.36 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 3jur n HIS 296 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3jur n GLY 297 N 1.48 1.88 0.19 -1.41 0.00 -1.26 -3.81 105.19 102.26 3jur n GLY 297 Ca 0.06 0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 3jur n GLY 297 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jur h GLY 298 N 0.00 -0.44 -6.25 -0.02 0.00 -0.97 -0.63 103.07 94.76 3jur h GLY 298 Ca 0.00 0.16 -0.67 0.00 0.00 0.00 0.00 47.33 46.83 3jur h GLY 298 CO 0.00 -0.16 -0.83 -2.27 0.00 0.00 0.00 176.54 173.28 3jur s LEU 299 N -7.82 2.32 0.03 3.11 2.96 -0.31 -2.71 118.68 116.27 3jur s LEU 299 Ca -0.06 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 53.33 3jur s LEU 299 Cb 0.01 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 3jur s LEU 299 CO 0.19 -0.01 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.31 3jur s VAL 300 N 1.33 1.71 -0.11 1.68 1.01 0.53 -1.54 120.40 125.01 3jur s VAL 300 Ca 0.05 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3jur s VAL 300 Cb -0.13 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3jur s VAL 300 CO -0.11 0.27 -0.22 -0.63 0.00 0.00 0.00 175.10 174.41 3jur s ILE 301 N -0.75 1.95 0.00 2.22 -1.09 0.91 -0.71 121.20 123.73 3jur s ILE 301 Ca 0.08 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 3jur s ILE 301 Cb -0.09 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 3jur s ILE 301 CO 0.01 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3jur n GLY 302 N 3.80 -1.74 0.22 6.18 0.00 -0.62 -1.06 105.19 111.97 3jur n GLY 302 Ca -0.20 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3jur n GLY 302 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jur h SER 303 N 0.00 0.00 -0.79 1.61 4.64 -1.90 -3.44 113.55 113.67 3jur h SER 303 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3jur h SER 303 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3jur h SER 303 CO 0.00 0.00 1.40 -1.61 -0.87 0.00 0.00 176.83 175.75 3jur s GLU 304 N -3.27 3.17 -0.08 4.77 8.01 -1.26 -4.61 118.70 125.42 3jur s GLU 304 Ca 0.06 -1.17 0.13 0.00 0.01 0.00 0.00 54.97 54.01 3jur s GLU 304 Cb 0.06 -5.31 0.26 0.00 -4.31 0.00 0.00 34.13 24.83 3jur s GLU 304 CO 0.64 -2.95 1.12 0.00 0.01 0.00 0.00 175.26 174.08 3jur n MET 305 N 8.60 0.74 0.30 1.61 0.00 -1.06 -0.18 117.12 127.13 3jur n MET 305 Ca 0.42 -2.17 0.19 0.00 0.00 0.00 0.00 57.70 56.14 3jur n MET 305 Cb 0.48 -0.96 0.96 0.00 0.00 0.00 0.00 33.22 33.69 3jur n MET 305 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3jur h SER 306 N 0.39 0.00 0.31 3.17 0.02 -1.32 0.20 113.55 116.32 3jur h SER 306 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3jur h SER 306 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3jur h SER 306 CO 0.02 0.02 -0.22 0.61 -1.14 0.00 0.00 176.83 176.12 3jur n GLY 307 N -0.68 -0.79 0.00 -3.77 0.00 -0.46 -3.88 105.19 95.61 3jur n GLY 307 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3jur n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 308 N 1.34 1.49 2.79 -0.02 0.00 0.70 -2.75 105.19 108.74 3jur n GLY 308 Ca 0.12 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 3jur n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jur s VAL 309 N -2.29 0.14 0.11 1.61 1.01 0.04 -1.99 120.40 119.02 3jur s VAL 309 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3jur s VAL 309 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.13 3jur s VAL 309 CO 0.00 0.16 0.32 0.00 0.00 0.00 0.00 175.10 175.58 3jur s ARG 310 N 1.32 0.97 -1.14 2.72 1.70 -0.68 -1.69 118.95 122.15 3jur s ARG 310 Ca -0.06 -0.79 -0.06 0.00 -0.47 0.00 0.00 55.73 54.35 3jur s ARG 310 Cb -0.13 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3jur s ARG 310 CO -0.02 -0.35 0.87 0.09 -1.08 0.00 0.00 175.30 174.80 3jur n ASN 311 N -0.13 -4.46 -4.39 -2.89 3.02 -0.73 -3.06 115.26 102.62 3jur n ASN 311 Ca -0.16 -0.77 -0.34 0.00 -0.03 0.00 0.00 54.58 53.28 3jur n ASN 311 Cb 0.63 -4.64 -0.13 0.00 -0.61 0.00 0.00 39.78 35.03 3jur n ASN 311 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 312 N -3.45 3.52 -0.22 2.41 1.01 -0.86 -1.62 120.40 121.19 3jur s VAL 312 Ca 0.29 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3jur s VAL 312 Cb -0.06 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3jur s VAL 312 CO 0.77 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 175.54 3jur s VAL 313 N 0.84 2.64 -0.30 2.92 1.01 -0.43 -0.32 120.40 126.77 3jur s VAL 313 Ca -0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3jur s VAL 313 Cb -0.15 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3jur s VAL 313 CO 0.01 0.37 0.03 0.00 0.00 0.00 0.00 175.10 175.52 3jur s ALA 314 N 1.34 2.90 -0.02 5.51 0.00 0.63 -0.61 121.76 131.51 3jur s ALA 314 Ca 0.03 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.40 3jur s ALA 314 Cb -0.15 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 3jur s ALA 314 CO -0.08 -1.11 -0.10 0.50 0.00 0.00 0.00 175.76 174.98 3jur s ARG 315 N 1.36 0.99 -1.41 0.00 3.52 0.52 -0.84 118.95 123.09 3jur s ARG 315 Ca -0.01 -0.35 -0.10 0.00 -0.13 0.00 0.00 55.73 55.14 3jur s ARG 315 Cb -0.18 -0.92 0.03 0.00 -1.56 0.00 0.00 34.95 32.32 3jur s ARG 315 CO -0.00 0.16 1.10 -1.71 -0.81 0.00 0.00 175.30 174.04 3jur n ASN 316 N 3.12 -5.52 -4.95 -2.12 2.85 -0.70 -2.50 115.26 105.44 3jur n ASN 316 Ca -0.17 -0.63 -0.24 0.00 -0.11 0.00 0.00 54.58 53.43 3jur n ASN 316 Cb 0.55 -4.64 -0.03 0.00 1.24 0.00 0.00 39.78 36.90 3jur n ASN 316 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3jur s ASN 317 N -3.40 6.34 -0.12 1.20 0.01 -1.26 -2.54 114.94 115.17 3jur s ASN 317 Ca 0.57 0.19 0.02 0.00 -0.71 0.00 0.00 52.86 52.93 3jur s ASN 317 Cb -0.26 -1.92 0.01 0.00 0.41 0.00 0.00 41.25 39.49 3jur s ASN 317 CO 0.77 -0.04 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.44 3jur s VAL 318 N -1.90 1.83 -0.16 1.60 1.01 0.05 -1.57 120.40 121.26 3jur s VAL 318 Ca 0.35 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3jur s VAL 318 Cb -0.10 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3jur s VAL 318 CO 0.29 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.38 3jur s TYR 319 N 0.86 2.73 -0.09 5.22 2.02 0.63 -0.38 117.35 128.34 3jur s TYR 319 Ca -0.08 -1.51 0.02 0.00 -0.37 0.00 0.00 57.07 55.14 3jur s TYR 319 Cb -0.15 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 3jur s TYR 319 CO -0.01 -0.72 -0.16 -1.64 -1.57 0.00 0.00 175.55 171.45 3jur s MET 320 N 1.08 2.21 0.00 -0.62 -1.94 0.23 0.02 119.30 120.28 3jur s MET 320 Ca -0.00 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 3jur s MET 320 Cb -0.14 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3jur s MET 320 CO -0.08 0.03 0.00 0.09 -0.01 0.00 0.00 175.02 175.05 3jur n ASN 321 N 3.89 0.00 -4.72 3.03 3.02 0.22 -1.16 115.26 119.54 3jur n ASN 321 Ca -0.21 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.03 3jur n ASN 321 Cb 0.52 -0.44 0.13 0.00 -0.61 0.00 0.00 39.78 39.37 3jur n ASN 321 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3jur s VAL 322 N -3.10 2.61 0.16 2.41 -7.23 -1.17 -4.01 120.40 110.07 3jur s VAL 322 Ca 0.00 0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 60.27 3jur s VAL 322 Cb 0.00 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.51 3jur s VAL 322 CO 0.00 -0.25 1.58 -0.33 -0.31 0.00 0.00 175.10 175.79 3jur h GLU 323 N -1.44 0.98 -3.23 4.82 5.08 -1.53 -0.51 114.58 118.75 3jur h GLU 323 Ca -0.44 -0.36 -0.15 0.00 -1.00 0.00 0.00 59.36 57.41 3jur h GLU 323 Cb 1.25 -0.06 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 3jur h GLU 323 CO 0.46 1.04 -0.41 1.03 -1.00 0.00 0.00 179.01 180.13 3jur s ARG 324 N -4.84 0.44 -0.17 2.33 0.52 -1.25 -0.32 118.95 115.66 3jur s ARG 324 Ca -0.12 -0.01 -0.19 0.00 -0.52 0.00 0.00 55.73 54.89 3jur s ARG 324 Cb 0.12 0.20 -0.16 0.00 0.52 0.00 0.00 34.95 35.63 3jur s ARG 324 CO 0.85 -0.10 0.25 0.00 0.02 0.00 0.00 175.30 176.33 3jur h ALA 325 N 4.84 0.13 -3.35 2.13 0.00 -1.26 -0.52 119.26 121.24 3jur h ALA 325 Ca -0.28 -0.80 -0.63 0.00 0.00 0.00 0.00 54.91 53.20 3jur h ALA 325 Cb 1.19 0.46 -0.33 0.00 0.00 0.00 0.00 17.79 19.10 3jur h ALA 325 CO 0.38 0.44 -0.86 -1.17 0.00 0.00 0.00 179.25 178.04 3jur s LEU 326 N -8.08 1.94 -0.03 0.00 2.96 -0.34 -1.16 118.68 113.97 3jur s LEU 326 Ca -0.21 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.20 3jur s LEU 326 Cb 0.03 -1.23 0.03 0.00 0.50 0.00 0.00 46.19 45.51 3jur s LEU 326 CO 0.49 0.11 0.04 -0.60 -1.32 0.00 0.00 176.35 175.07 3jur s ARG 327 N 0.50 0.00 -0.11 1.98 3.52 -0.59 -0.29 118.95 123.97 3jur s ARG 327 Ca -0.16 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 3jur s ARG 327 Cb -0.17 -0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 32.76 3jur s ARG 327 CO 0.06 -0.26 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.59 3jur s LEU 328 N 1.73 2.37 -0.01 -0.88 1.02 0.70 -0.06 118.68 123.55 3jur s LEU 328 Ca -0.01 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 3jur s LEU 328 Cb -0.12 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.59 3jur s LEU 328 CO -0.03 0.17 0.02 -1.59 0.02 0.00 0.00 176.35 174.94 3jur s LYS 329 N 0.27 0.02 0.13 1.70 -2.85 -0.23 -1.21 119.74 117.57 3jur s LYS 329 Ca -0.14 0.03 -0.24 0.00 -1.00 0.00 0.00 55.97 54.62 3jur s LYS 329 Cb -0.17 0.01 0.08 0.00 -2.06 0.00 0.00 37.83 35.69 3jur s LYS 329 CO 0.07 -0.01 1.09 -0.08 0.10 0.00 0.00 175.35 176.53 3jur s THR 330 N 0.03 0.00 0.35 3.79 -1.32 -0.64 -3.94 115.64 113.91 3jur s THR 330 Ca -0.00 -0.49 -0.12 0.00 -1.21 0.00 0.00 61.69 59.87 3jur s THR 330 Cb -0.00 -2.69 0.03 0.00 -1.51 0.00 0.00 72.50 68.33 3jur s THR 330 CO -0.00 0.00 0.66 0.54 -2.21 0.00 0.00 174.62 173.61 3jur s ASN 331 N -3.37 0.27 0.00 8.08 2.20 -1.26 -1.33 114.94 119.53 3jur s ASN 331 Ca 0.21 -1.19 0.06 0.00 -0.94 0.00 0.00 52.86 51.00 3jur s ASN 331 Cb -0.01 0.76 0.37 0.00 -2.00 0.00 0.00 41.25 40.37 3jur s ASN 331 CO 0.03 -1.49 1.14 -1.54 -2.94 0.00 0.00 177.10 172.29 3jur n SER 332 N -1.25 0.00 0.02 3.54 3.41 -1.26 -1.89 113.62 116.18 3jur n SER 332 Ca -0.04 -1.57 -0.06 0.00 -0.26 0.00 0.00 58.87 56.93 3jur n SER 332 Cb 0.60 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.44 3jur n SER 332 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3jur h ARG 333 N 0.00 0.00 -0.09 4.33 3.08 -1.78 0.15 114.38 120.07 3jur h ARG 333 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3jur h ARG 333 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3jur h ARG 333 CO 0.00 0.60 -0.75 0.00 -1.07 0.00 0.00 179.97 178.74 3jur h ARG 334 N 0.00 0.68 0.00 0.04 2.47 -1.49 -3.43 114.38 112.64 3jur h ARG 334 Ca -0.18 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 57.94 3jur h ARG 334 Cb 1.86 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 30.32 3jur h ARG 334 CO 0.09 1.21 0.00 0.41 0.56 0.00 0.00 179.97 182.24 3jur n GLY 335 N 0.82 1.03 7.00 0.04 0.00 0.19 -4.45 105.19 109.82 3jur n GLY 335 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3jur n GLY 335 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 336 N 0.00 0.68 3.45 -0.02 0.00 -1.25 -4.31 105.19 103.74 3jur n GLY 336 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 3jur n GLY 336 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jur s TYR 337 N 0.00 -0.56 -0.10 1.61 -0.85 -1.25 -1.62 117.35 114.57 3jur s TYR 337 Ca 0.00 0.50 -0.03 0.00 -0.52 0.00 0.00 57.07 57.03 3jur s TYR 337 Cb 0.00 0.52 0.04 0.00 0.38 0.00 0.00 41.96 42.91 3jur s TYR 337 CO 0.00 -0.78 0.04 -1.64 -1.52 0.00 0.00 175.55 171.66 3jur s MET 338 N -3.13 0.30 0.12 -3.49 -1.94 0.46 -0.78 119.30 110.84 3jur s MET 338 Ca -0.01 0.06 -0.17 0.00 -1.71 0.00 0.00 55.69 53.86 3jur s MET 338 Cb -0.01 -1.21 0.04 0.00 2.01 0.00 0.00 34.83 35.66 3jur s MET 338 CO -0.08 -0.44 0.41 -1.83 -0.01 0.00 0.00 175.02 173.07 3jur s GLU 339 N 2.05 1.06 -1.23 2.03 -1.05 -0.68 -1.98 118.70 118.90 3jur s GLU 339 Ca 0.03 -0.65 -0.05 0.00 -0.15 0.00 0.00 54.97 54.15 3jur s GLU 339 Cb -0.14 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 3jur s GLU 339 CO -0.06 -0.41 0.77 0.09 0.95 0.00 0.00 175.26 176.60 3jur n ASN 340 N -0.13 -2.91 -4.55 0.83 3.02 -0.05 -3.02 115.26 108.44 3jur n ASN 340 Ca -0.16 -0.84 -0.36 0.00 -0.03 0.00 0.00 54.58 53.19 3jur n ASN 340 Cb 0.63 -4.14 -0.11 0.00 -0.61 0.00 0.00 39.78 35.55 3jur n ASN 340 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jur s ILE 341 N -3.57 4.67 -0.15 2.41 -1.09 -1.04 -1.76 121.20 120.66 3jur s ILE 341 Ca 0.17 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 3jur s ILE 341 Cb -0.04 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 3jur s ILE 341 CO 0.81 0.38 -0.18 -0.36 -1.23 0.00 0.00 174.94 174.36 3jur s PHE 342 N 1.04 2.75 -0.45 3.97 0.08 0.57 -0.67 117.98 125.27 3jur s PHE 342 Ca 0.05 -1.20 0.03 0.00 0.12 0.00 0.00 56.93 55.92 3jur s PHE 342 Cb -0.14 -1.87 0.13 0.00 -0.57 0.00 0.00 43.02 40.56 3jur s PHE 342 CO 0.03 -0.56 0.21 0.12 -0.10 0.00 0.00 175.22 174.93 3jur s PHE 343 N 0.88 2.75 -0.03 0.36 5.36 0.91 -0.27 117.98 127.94 3jur s PHE 343 Ca -0.05 -2.80 0.07 0.00 -0.96 0.00 0.00 56.93 53.19 3jur s PHE 343 Cb -0.15 -2.44 -0.01 0.00 -0.34 0.00 0.00 43.02 40.07 3jur s PHE 343 CO -0.02 -0.79 -0.24 0.42 -1.46 0.00 0.00 175.22 173.13 3jur s ILE 344 N 0.22 1.94 -1.46 3.12 -1.09 -0.02 -2.09 121.20 121.82 3jur s ILE 344 Ca 0.16 -1.03 -0.09 0.00 -2.23 0.00 0.00 60.65 57.46 3jur s ILE 344 Cb -0.24 -1.62 0.04 0.00 -1.58 0.00 0.00 42.46 39.06 3jur s ILE 344 CO -0.03 0.55 0.75 0.47 -1.23 0.00 0.00 174.94 175.45 3jur n ASP 345 N 2.69 -5.29 -4.95 3.58 8.00 -0.57 -1.73 116.55 118.28 3jur n ASP 345 Ca -0.17 -0.46 -0.24 0.00 0.71 0.00 0.00 54.79 54.64 3jur n ASP 345 Cb 0.52 -4.26 -0.02 0.00 -0.02 0.00 0.00 41.12 37.33 3jur n ASP 345 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3jur s ASN 346 N -2.93 6.33 -0.06 -2.24 0.01 -1.22 -2.82 114.94 112.02 3jur s ASN 346 Ca 0.45 0.22 0.03 0.00 -0.71 0.00 0.00 52.86 52.85 3jur s ASN 346 Cb -0.22 -1.93 0.01 0.00 0.41 0.00 0.00 41.25 39.52 3jur s ASN 346 CO 0.56 -0.07 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.26 3jur s VAL 347 N -1.95 1.17 -0.11 1.60 1.01 -0.61 -2.16 120.40 119.34 3jur s VAL 347 Ca 0.36 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3jur s VAL 347 Cb -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3jur s VAL 347 CO 0.30 0.36 -0.09 0.00 0.00 0.00 0.00 175.10 175.67 3jur s ALA 348 N 0.46 1.37 -0.05 5.51 0.00 -0.06 -0.27 121.76 128.73 3jur s ALA 348 Ca -0.11 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.33 3jur s ALA 348 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3jur s ALA 348 CO 0.03 -0.36 -0.22 0.54 0.00 0.00 0.00 175.76 175.76 3jur s VAL 349 N 1.57 1.79 -1.12 0.00 0.11 0.10 -0.88 120.40 121.97 3jur s VAL 349 Ca 0.03 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 3jur s VAL 349 Cb -0.13 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 3jur s VAL 349 CO -0.07 0.50 0.96 0.59 -3.33 0.00 0.00 175.10 173.75 3jur n ASN 350 N 3.04 -4.02 -4.74 3.54 3.02 -0.69 -0.61 115.26 114.80 3jur n ASN 350 Ca -0.18 -0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 3jur n ASN 350 Cb 0.52 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.16 3jur n ASN 350 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3jur s VAL 351 N -3.30 2.37 -0.12 2.41 1.01 0.05 -3.66 120.40 119.17 3jur s VAL 351 Ca 0.27 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.65 3jur s VAL 351 Cb -0.12 -3.19 -0.24 0.00 0.00 0.00 0.00 36.38 32.84 3jur s VAL 351 CO 0.64 0.04 0.35 -1.54 0.00 0.00 0.00 175.10 174.59 3jur n SER 352 N 2.75 0.90 0.00 3.32 3.41 -0.20 -0.36 113.62 123.45 3jur n SER 352 Ca 0.10 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3jur n SER 352 Cb 0.38 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3jur n SER 352 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jur n GLU 353 N -3.04 0.00 -4.53 4.33 -0.58 0.56 -3.59 120.64 113.79 3jur n GLU 353 Ca -0.27 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.23 3jur n GLU 353 Cb 1.08 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.78 3jur n GLU 353 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3jur s GLU 354 N 0.00 1.54 0.08 3.49 8.01 -0.83 0.60 118.70 131.59 3jur s GLU 354 Ca 0.00 -0.37 -0.21 0.00 0.01 0.00 0.00 54.97 54.40 3jur s GLU 354 Cb 0.00 -1.30 -0.11 0.00 -4.31 0.00 0.00 34.13 28.41 3jur s GLU 354 CO 0.00 0.03 1.58 0.28 0.01 0.00 0.00 175.26 177.16 3jur h VAL 355 N 5.93 1.18 -3.18 2.63 2.07 -1.34 -3.23 116.25 120.31 3jur h VAL 355 Ca -0.32 -0.57 -0.56 0.00 0.82 0.00 0.00 66.70 66.07 3jur h VAL 355 Cb 1.18 1.27 -0.36 0.00 -1.52 0.00 0.00 31.29 31.86 3jur h VAL 355 CO 0.48 0.17 -0.82 -0.63 0.02 0.00 0.00 177.57 176.79 3jur s ILE 356 N -5.39 1.29 -0.08 4.57 1.01 -0.81 -1.19 121.20 120.60 3jur s ILE 356 Ca -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3jur s ILE 356 Cb 0.06 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3jur s ILE 356 CO 0.70 0.41 -0.11 -0.60 0.00 0.00 0.00 174.94 175.34 3jur s ARG 357 N 1.47 1.72 -0.11 2.79 6.06 0.61 -1.24 118.95 130.25 3jur s ARG 357 Ca 0.02 -0.39 -0.01 0.00 -2.50 0.00 0.00 55.73 52.86 3jur s ARG 357 Cb -0.13 -1.52 0.03 0.00 0.06 0.00 0.00 34.95 33.39 3jur s ARG 357 CO -0.08 -0.07 -0.07 0.42 -2.50 0.00 0.00 175.30 173.01 3jur s ILE 358 N 1.00 0.94 -0.06 4.11 1.01 0.18 -0.22 121.20 128.17 3jur s ILE 358 Ca -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3jur s ILE 358 Cb -0.15 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.36 3jur s ILE 358 CO -0.00 0.35 -0.01 0.21 0.00 0.00 0.00 174.94 175.48 3jur s ASN 359 N 1.74 1.19 -0.18 3.58 2.47 -0.35 -0.11 114.94 123.28 3jur s ASN 359 Ca 0.05 -0.08 0.16 0.00 0.42 0.00 0.00 52.86 53.40 3jur s ASN 359 Cb -0.13 -0.39 0.63 0.00 -1.45 0.00 0.00 41.25 39.91 3jur s ASN 359 CO -0.08 -0.14 1.54 0.18 -3.72 0.00 0.00 177.10 174.88 3jur n LEU 360 N 4.67 4.52 -1.49 3.21 4.32 -0.28 -1.62 117.00 130.33 3jur n LEU 360 Ca -0.15 -2.87 -0.09 0.00 -0.02 0.00 0.00 56.01 52.88 3jur n LEU 360 Cb 0.50 -0.57 0.10 0.00 -1.62 0.00 0.00 43.42 41.83 3jur n LEU 360 CO 0.16 0.68 0.23 0.54 -1.22 0.00 0.00 177.39 177.78 3jur n ARG 361 N 0.09 2.53 -1.66 3.23 1.74 -1.09 -4.13 116.66 117.38 3jur n ARG 361 Ca 0.23 -3.69 -0.47 0.00 -0.77 0.00 0.00 57.85 53.16 3jur n ARG 361 Cb 0.96 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.49 3jur n ARG 361 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3jur n TYR 362 N -0.81 2.11 -0.85 -1.55 9.36 -0.44 -1.13 117.16 123.85 3jur n TYR 362 Ca 0.30 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.89 3jur n TYR 362 Cb 0.86 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 3jur n TYR 362 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3jur n ASP 363 N 2.94 -4.30 -2.42 2.98 8.00 -1.26 -3.13 116.55 119.35 3jur n ASP 363 Ca 0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 3jur n ASP 363 Cb 0.28 -3.17 -0.01 0.00 -0.02 0.00 0.00 41.12 38.20 3jur n ASP 363 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3jur n ASN 364 N -0.67 -4.20 -4.74 -2.24 4.13 -0.28 -4.98 115.26 102.29 3jur n ASN 364 Ca 0.00 0.17 -0.35 0.00 1.68 0.00 0.00 54.58 56.07 3jur n ASN 364 Cb 0.36 -3.56 -0.08 0.00 -1.54 0.00 0.00 39.78 34.96 3jur n ASN 364 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3jur s GLU 365 N -5.01 3.09 0.32 3.52 -1.05 -1.18 -5.11 118.70 113.27 3jur s GLU 365 Ca 0.00 -0.35 0.06 0.00 -0.15 0.00 0.00 54.97 54.53 3jur s GLU 365 Cb 0.00 -2.89 -0.06 0.00 -0.44 0.00 0.00 34.13 30.74 3jur s GLU 365 CO 0.00 0.72 -0.02 -1.21 0.95 0.00 0.00 175.26 175.70 3jur s GLU 366 N -0.98 1.67 0.00 -4.83 2.02 -1.26 -4.17 118.70 111.15 3jur s GLU 366 Ca 0.14 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.25 3jur s GLU 366 Cb -0.12 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.91 3jur s GLU 366 CO 0.03 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.70 3jur n GLY 367 N -0.69 1.28 1.11 -1.39 0.00 -1.18 -4.58 105.19 99.73 3jur n GLY 367 Ca -0.04 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.46 3jur n GLY 367 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3jur n GLU 368 N 0.00 3.36 -3.74 1.61 4.07 -1.00 -4.65 120.64 120.29 3jur n GLU 368 Ca 0.00 -2.89 -0.28 0.00 -0.06 0.00 0.00 57.16 53.92 3jur n GLU 368 Cb 0.00 -1.92 -0.12 0.00 -0.06 0.00 0.00 31.44 29.34 3jur n GLU 368 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3jur s TYR 369 N -2.75 2.56 0.04 4.31 2.02 0.51 -5.03 117.35 119.01 3jur s TYR 369 Ca 0.45 -2.86 -0.30 0.00 -0.37 0.00 0.00 57.07 53.99 3jur s TYR 369 Cb 0.35 -2.11 -0.08 0.00 -0.40 0.00 0.00 41.96 39.73 3jur s TYR 369 CO 0.11 -0.69 1.69 -0.51 -1.57 0.00 0.00 175.55 174.58 3jur s LEU 370 N -0.52 4.36 0.19 -1.29 1.43 -1.26 -0.64 118.68 120.95 3jur s LEU 370 Ca 0.24 2.46 -0.29 0.00 -1.03 0.00 0.00 54.13 55.50 3jur s LEU 370 Cb -0.10 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 3jur s LEU 370 CO -0.11 -0.92 0.92 -2.16 0.23 0.00 0.00 176.35 174.31 3jur s PRO 371 N 3.14 4.76 -0.34 1.29 0.04 -1.26 -4.62 135.00 138.01 3jur s PRO 371 Ca 0.75 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.95 3jur s PRO 371 Cb -0.39 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.86 3jur s PRO 371 CO 0.33 0.43 0.93 0.08 0.04 0.00 0.00 177.00 178.81 3jur s VAL 372 N -0.81 4.61 -0.23 -0.36 1.01 -0.64 -4.98 120.40 119.00 3jur s VAL 372 Ca 0.42 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3jur s VAL 372 Cb -0.25 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.88 3jur s VAL 372 CO 0.30 -0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 174.22 3jur s VAL 373 N 3.41 1.35 0.21 2.92 1.01 -1.26 -0.41 120.40 127.62 3jur s VAL 373 Ca 0.39 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3jur s VAL 373 Cb -0.12 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3jur s VAL 373 CO 0.17 -0.14 0.53 0.00 0.00 0.00 0.00 175.10 175.65 3jur s ARG 374 N 1.47 1.42 -0.96 2.72 1.70 -0.84 -1.47 118.95 123.00 3jur s ARG 374 Ca -0.04 -0.91 -0.06 0.00 -0.47 0.00 0.00 55.73 54.24 3jur s ARG 374 Cb -0.19 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 3jur s ARG 374 CO -0.07 -0.61 0.83 0.43 -1.08 0.00 0.00 175.30 174.80 3jur n SER 375 N -0.35 -6.79 -4.28 -2.89 7.64 -0.73 -3.60 113.62 102.63 3jur n SER 375 Ca -0.09 -0.56 -0.33 0.00 1.01 0.00 0.00 58.87 58.90 3jur n SER 375 Cb 0.62 -4.91 -0.15 0.00 -1.01 0.00 0.00 64.21 58.76 3jur n SER 375 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jur s VAL 376 N -3.27 2.69 -0.15 0.44 1.01 -0.99 -0.88 120.40 119.25 3jur s VAL 376 Ca 0.31 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3jur s VAL 376 Cb -0.05 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3jur s VAL 376 CO 0.76 0.52 -0.17 -0.36 0.00 0.00 0.00 175.10 175.85 3jur s PHE 377 N 0.72 2.41 -0.18 5.22 0.08 0.16 -1.45 117.98 124.94 3jur s PHE 377 Ca -0.07 -1.35 -0.00 0.00 0.12 0.00 0.00 56.93 55.63 3jur s PHE 377 Cb -0.16 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 3jur s PHE 377 CO 0.01 -0.69 -0.14 0.08 -0.10 0.00 0.00 175.22 174.38 3jur s VAL 378 N 1.29 2.66 -0.01 -0.44 1.01 0.12 -0.06 120.40 124.96 3jur s VAL 378 Ca 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3jur s VAL 378 Cb -0.13 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.11 3jur s VAL 378 CO -0.09 0.50 -0.05 -0.75 0.00 0.00 0.00 175.10 174.71 3jur s LYS 379 N 1.08 0.54 -1.36 2.72 2.20 -0.89 -0.35 119.74 123.69 3jur s LYS 379 Ca -0.00 -0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3jur s LYS 379 Cb -0.14 -0.55 0.03 0.00 -1.51 0.00 0.00 37.83 35.65 3jur s LYS 379 CO -0.04 0.06 0.92 -1.71 -0.36 0.00 0.00 175.35 174.23 3jur n ASN 380 N 3.27 -3.29 -4.78 1.43 5.15 -0.60 -1.51 115.26 114.92 3jur n ASN 380 Ca -0.17 -0.72 -0.38 0.00 -0.60 0.00 0.00 54.58 52.71 3jur n ASN 380 Cb 0.56 -4.39 -0.06 0.00 -0.53 0.00 0.00 39.78 35.35 3jur n ASN 380 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3jur s LEU 381 N -6.90 4.43 -0.17 1.20 2.96 -1.25 -3.36 118.68 115.59 3jur s LEU 381 Ca 0.29 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3jur s LEU 381 Cb -0.14 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.78 3jur s LEU 381 CO 0.79 0.18 -0.18 -0.54 -1.32 0.00 0.00 176.35 175.28 3jur s LYS 382 N -0.49 2.77 0.04 1.98 -0.14 -0.92 -1.17 119.74 121.81 3jur s LYS 382 Ca 0.28 -0.75 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 3jur s LYS 382 Cb -0.18 -2.43 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 3jur s LYS 382 CO 0.15 -0.22 -0.05 0.00 -0.76 0.00 0.00 175.35 174.47 3jur s ALA 383 N 1.35 0.39 -0.03 5.17 0.00 -0.27 -0.88 121.76 127.49 3jur s ALA 383 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3jur s ALA 383 Cb -0.13 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3jur s ALA 383 CO -0.12 -0.15 -0.07 0.99 0.00 0.00 0.00 175.76 176.41 3jur s THR 384 N -1.97 0.63 0.00 0.00 2.01 -0.06 -1.51 115.64 114.73 3jur s THR 384 Ca -0.08 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3jur s THR 384 Cb -0.06 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.85 3jur s THR 384 CO -0.02 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 3jur n GLY 385 N 3.58 -0.16 0.00 4.40 0.00 -0.34 -0.77 105.19 111.90 3jur n GLY 385 Ca -0.21 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3jur n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 386 N -0.09 3.82 0.13 -0.02 0.00 0.52 -4.27 105.19 105.28 3jur n GLY 386 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 3jur n GLY 386 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jur h LYS 387 N 0.00 0.28 -5.39 1.61 1.57 0.10 -1.17 116.57 113.57 3jur h LYS 387 Ca 0.00 -0.34 -0.51 0.00 -1.87 0.00 0.00 60.65 57.93 3jur h LYS 387 Cb 0.00 0.10 -0.29 0.00 0.08 0.00 0.00 32.23 32.12 3jur h LYS 387 CO 0.00 1.06 -0.82 0.71 -0.57 0.00 0.00 179.45 179.83 3jur s TYR 388 N -3.11 1.39 -0.08 -1.35 2.02 -0.19 -1.17 117.35 114.86 3jur s TYR 388 Ca -0.04 -0.28 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 3jur s TYR 388 Cb 0.09 -0.91 -0.17 0.00 -0.40 0.00 0.00 41.96 40.58 3jur s TYR 388 CO 0.85 -0.04 0.74 0.00 -1.57 0.00 0.00 175.55 175.53 3jur h ALA 389 N 5.83 -0.10 -3.29 3.71 0.00 -0.63 -1.91 119.26 122.87 3jur h ALA 389 Ca -0.35 -0.27 -0.47 0.00 0.00 0.00 0.00 54.91 53.82 3jur h ALA 389 Cb 1.16 0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.63 3jur h ALA 389 CO 0.49 -0.16 -0.78 0.08 0.00 0.00 0.00 179.25 178.87 3jur s VAL 390 N -2.85 0.70 -0.20 0.00 1.01 -0.26 -1.92 120.40 116.87 3jur s VAL 390 Ca -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3jur s VAL 390 Cb -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.68 3jur s VAL 390 CO 0.48 0.30 0.02 -0.60 0.00 0.00 0.00 175.10 175.30 3jur s ARG 391 N 1.53 0.79 -0.14 2.72 3.52 -0.37 -0.73 118.95 126.27 3jur s ARG 391 Ca -0.00 -0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3jur s ARG 391 Cb -0.13 -2.18 0.03 0.00 -1.56 0.00 0.00 34.95 31.11 3jur s ARG 391 CO -0.04 -0.64 -0.07 0.42 -0.81 0.00 0.00 175.30 174.15 3jur s ILE 392 N 1.79 1.10 -0.24 4.11 1.01 0.04 -0.65 121.20 128.36 3jur s ILE 392 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3jur s ILE 392 Cb -0.17 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.20 3jur s ILE 392 CO -0.08 0.28 0.05 -1.61 0.00 0.00 0.00 174.94 173.59 3jur s GLU 393 N 1.66 0.72 0.00 2.79 2.02 0.84 -1.09 118.70 125.64 3jur s GLU 393 Ca 0.03 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.35 3jur s GLU 393 Cb -0.14 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3jur s GLU 393 CO -0.08 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 174.84 3jur n GLY 394 N 4.97 1.38 3.27 -1.39 0.00 0.56 -1.13 105.19 112.86 3jur n GLY 394 Ca -0.07 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 3jur n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jur s LEU 395 N 0.00 2.44 0.27 0.99 1.43 -0.63 -4.76 118.68 118.42 3jur s LEU 395 Ca 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3jur s LEU 395 Cb 0.00 -0.59 0.57 0.00 0.03 0.00 0.00 46.19 46.20 3jur s LEU 395 CO 0.00 -0.14 1.77 -0.08 0.23 0.00 0.00 176.35 178.12 3jur h GLU 396 N 3.31 0.65 -0.67 1.70 4.22 -1.95 -0.23 114.58 121.61 3jur h GLU 396 Ca -0.40 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.00 3jur h GLU 396 Cb 1.20 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3jur h GLU 396 CO 0.53 0.43 0.00 0.27 -2.18 0.00 0.00 179.01 178.06 3jur n ASN 397 N -4.84 4.75 -2.84 1.04 0.23 -1.26 -4.71 115.26 107.62 3jur n ASN 397 Ca 0.18 -2.41 -0.07 0.00 -0.53 0.00 0.00 54.58 51.75 3jur n ASN 397 Cb 0.45 -0.58 -0.00 0.00 -2.08 0.00 0.00 39.78 37.57 3jur n ASN 397 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3jur n ASP 398 N 1.20 -3.07 -4.77 0.53 2.03 -0.10 -5.11 116.55 107.26 3jur n ASP 398 Ca 0.26 -2.86 -0.39 0.00 0.52 0.00 0.00 54.79 52.32 3jur n ASP 398 Cb 0.88 1.47 -0.00 0.00 -0.72 0.00 0.00 41.12 42.74 3jur n ASP 398 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jur s TYR 399 N 0.76 2.81 -0.01 -0.67 1.51 -1.21 -1.60 117.35 118.93 3jur s TYR 399 Ca 0.30 1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 57.49 3jur s TYR 399 Cb 0.01 -3.64 -0.05 0.00 -0.11 0.00 0.00 41.96 38.17 3jur s TYR 399 CO -0.07 -2.04 1.41 0.08 -1.11 0.00 0.00 175.55 173.81 3jur s VAL 400 N -1.29 3.74 0.10 0.71 1.01 -0.85 -4.71 120.40 119.11 3jur s VAL 400 Ca 0.58 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.74 3jur s VAL 400 Cb -0.37 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3jur s VAL 400 CO 0.47 -0.01 -0.15 -0.54 0.00 0.00 0.00 175.10 174.86 3jur s LYS 401 N 2.54 1.92 -1.23 2.72 1.02 -0.54 -0.64 119.74 125.53 3jur s LYS 401 Ca 0.64 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 3jur s LYS 401 Cb -0.31 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3jur s LYS 401 CO 0.26 0.50 0.79 -3.47 -0.92 0.00 0.00 175.35 172.51 3jur n ASP 402 N 0.85 -2.49 -4.66 2.83 4.64 -1.25 -1.78 116.55 114.70 3jur n ASP 402 Ca -0.15 -0.79 -0.37 0.00 -1.38 0.00 0.00 54.79 52.10 3jur n ASP 402 Cb 0.52 -4.33 -0.09 0.00 -1.04 0.00 0.00 41.12 36.18 3jur n ASP 402 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3jur s ILE 403 N -3.55 5.31 -0.08 5.18 -1.09 -1.14 -2.03 121.20 123.80 3jur s ILE 403 Ca 0.11 0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 3jur s ILE 403 Cb -0.03 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3jur s ILE 403 CO 0.79 0.31 -0.11 -0.22 -1.23 0.00 0.00 174.94 174.48 3jur s LEU 404 N 1.21 1.54 -0.16 2.97 2.96 -0.53 -0.44 118.68 126.23 3jur s LEU 404 Ca 0.11 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3jur s LEU 404 Cb -0.14 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.72 3jur s LEU 404 CO 0.06 -0.01 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.25 3jur s ILE 405 N 0.95 2.01 0.05 6.68 1.01 -0.21 -0.71 121.20 130.99 3jur s ILE 405 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3jur s ILE 405 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3jur s ILE 405 CO 0.00 0.54 -0.04 -0.94 0.00 0.00 0.00 174.94 174.50 3jur s SER 406 N 1.07 0.60 -1.50 3.58 1.04 0.52 -1.25 113.70 117.76 3jur s SER 406 Ca -0.01 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 3jur s SER 406 Cb -0.14 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.18 3jur s SER 406 CO -0.07 -0.45 0.69 0.47 0.98 0.00 0.00 173.24 174.85 3jur n ASP 407 N 0.61 -2.28 -4.15 7.02 8.00 -0.55 -1.56 116.55 123.63 3jur n ASP 407 Ca -0.17 -0.93 -0.23 0.00 0.71 0.00 0.00 54.79 54.17 3jur n ASP 407 Cb 0.59 -3.33 -0.15 0.00 -0.02 0.00 0.00 41.12 38.21 3jur n ASP 407 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3jur s THR 408 N -3.59 1.28 -0.08 -3.53 2.01 -1.15 -2.48 115.64 108.11 3jur s THR 408 Ca 0.35 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.56 3jur s THR 408 Cb -0.18 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.25 3jur s THR 408 CO 0.87 0.27 -0.13 -0.51 -0.69 0.00 0.00 174.62 174.43 3jur s ILE 409 N -0.52 1.21 -0.10 1.82 2.07 -0.32 -1.11 121.20 124.25 3jur s ILE 409 Ca 0.05 -0.51 -0.00 0.00 -1.41 0.00 0.00 60.65 58.79 3jur s ILE 409 Cb -0.07 -1.11 0.02 0.00 0.13 0.00 0.00 42.46 41.43 3jur s ILE 409 CO 0.00 0.38 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.70 3jur s ILE 410 N 0.78 0.95 0.10 2.00 1.01 -0.11 -1.11 121.20 124.83 3jur s ILE 410 Ca -0.12 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.35 3jur s ILE 410 Cb -0.15 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3jur s ILE 410 CO 0.02 0.35 -0.22 -1.61 0.00 0.00 0.00 174.94 173.48 3jur s GLU 411 N 1.55 1.17 -0.83 2.79 0.41 -0.57 -0.89 118.70 122.33 3jur s GLU 411 Ca 0.01 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 3jur s GLU 411 Cb -0.13 -1.45 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 3jur s GLU 411 CO -0.06 0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.46 3jur n GLY 412 N 1.10 0.73 3.85 -1.39 0.00 -1.26 -1.20 105.19 107.03 3jur n GLY 412 Ca -0.19 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3jur n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jur s ALA 413 N -2.34 3.72 -0.02 4.61 0.00 -1.26 -3.77 121.76 122.70 3jur s ALA 413 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 3jur s ALA 413 Cb 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 23.12 20.65 3jur s ALA 413 CO 0.00 0.53 1.06 -0.22 0.00 0.00 0.00 175.76 177.13 3jur h LYS 414 N 4.16 -0.34 -5.61 0.00 3.64 -1.26 -3.43 116.57 113.73 3jur h LYS 414 Ca -0.50 0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.25 3jur h LYS 414 Cb 1.21 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 3jur h LYS 414 CO 0.64 0.02 -0.58 0.42 -2.27 0.00 0.00 179.45 177.68 3jur s ILE 415 N -4.10 4.67 -0.11 2.00 1.01 -0.32 -4.87 121.20 119.48 3jur s ILE 415 Ca -0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 3jur s ILE 415 Cb 0.01 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 3jur s ILE 415 CO 0.50 0.55 0.15 0.28 0.00 0.00 0.00 174.94 176.42 3jur h SER 416 N 5.81 0.00 -3.33 3.58 0.02 -1.25 0.21 113.55 118.60 3jur h SER 416 Ca -0.45 -0.20 -0.47 0.00 -0.84 0.00 0.00 61.79 59.83 3jur h SER 416 Cb 1.19 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.37 3jur h SER 416 CO 0.62 0.62 -0.79 -0.69 -1.14 0.00 0.00 176.83 175.44 3jur s VAL 417 N -1.71 0.77 -0.22 2.27 1.01 -0.89 -1.10 120.40 120.52 3jur s VAL 417 Ca -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3jur s VAL 417 Cb -0.00 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3jur s VAL 417 CO 0.15 0.30 -0.08 -0.22 0.00 0.00 0.00 175.10 175.25 3jur s LEU 418 N 1.31 2.85 -0.05 3.92 0.20 0.09 -0.15 118.68 126.86 3jur s LEU 418 Ca -0.04 -0.64 0.03 0.00 0.69 0.00 0.00 54.13 54.17 3jur s LEU 418 Cb -0.14 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 3jur s LEU 418 CO -0.03 -0.06 -0.12 -0.22 -0.29 0.00 0.00 176.35 175.64 3jur s LEU 419 N 1.38 1.69 -0.07 -0.68 2.96 0.68 -0.78 118.68 123.85 3jur s LEU 419 Ca 0.03 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3jur s LEU 419 Cb -0.15 -0.77 0.04 0.00 0.50 0.00 0.00 46.19 45.81 3jur s LEU 419 CO -0.06 0.05 0.11 -1.61 -1.32 0.00 0.00 176.35 173.52 3jur s GLU 420 N 0.48 -0.02 -1.07 1.98 0.41 -0.25 -0.46 118.70 119.78 3jur s GLU 420 Ca -0.10 0.41 -0.10 0.00 -0.41 0.00 0.00 54.97 54.76 3jur s GLU 420 Cb -0.14 -0.55 -0.05 0.00 -1.78 0.00 0.00 34.13 31.62 3jur s GLU 420 CO 0.03 -0.36 0.88 1.19 -0.49 0.00 0.00 175.26 176.50 3jur n PHE 421 N 5.31 -2.31 -3.73 1.61 3.72 -0.09 -0.32 117.46 121.64 3jur n PHE 421 Ca -0.04 0.74 -0.10 0.00 -0.05 0.00 0.00 57.45 58.01 3jur n PHE 421 Cb 0.50 -3.91 -0.04 0.00 -0.94 0.00 0.00 39.48 35.09 3jur n PHE 421 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3jur s GLY 422 N -3.40 -0.10 -0.26 1.37 0.00 -1.10 -2.01 107.32 101.81 3jur s GLY 422 Ca 0.45 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.99 3jur s GLY 422 CO 0.78 -0.24 -0.08 1.62 0.00 0.00 0.00 173.10 175.18 3jur s GLN 423 N -3.87 1.97 -0.12 2.90 0.74 0.19 -1.36 119.66 120.10 3jur s GLN 423 Ca 0.09 -1.28 0.03 0.00 0.05 0.00 0.00 55.36 54.25 3jur s GLN 423 Cb -0.01 -2.81 0.01 0.00 1.10 0.00 0.00 33.01 31.29 3jur s GLN 423 CO -0.03 -0.62 -0.23 -1.17 -0.55 0.00 0.00 175.29 172.70 3jur s LEU 424 N 1.18 2.11 -0.05 3.68 2.96 0.40 -2.86 118.68 126.09 3jur s LEU 424 Ca -0.06 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 3jur s LEU 424 Cb -0.20 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3jur s LEU 424 CO -0.06 0.12 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.09 3jur s GLY 425 N 0.60 1.48 -0.02 7.98 0.00 0.42 -0.62 107.32 117.16 3jur s GLY 425 Ca -0.12 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3jur s GLY 425 CO 0.03 -0.73 -0.08 1.06 0.00 0.00 0.00 173.10 173.38 3jur s MET 426 N -0.57 0.82 -0.05 2.90 -1.94 0.19 -1.04 119.30 119.61 3jur s MET 426 Ca 0.08 -0.29 0.01 0.00 -1.71 0.00 0.00 55.69 53.78 3jur s MET 426 Cb -0.11 -0.78 0.02 0.00 2.01 0.00 0.00 34.83 35.96 3jur s MET 426 CO 0.01 0.14 -0.05 -1.21 -0.01 0.00 0.00 175.02 173.89 3jur s GLU 427 N 0.05 0.98 -0.99 2.03 2.02 -0.38 -1.09 118.70 121.32 3jur s GLU 427 Ca -0.01 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 54.74 3jur s GLU 427 Cb -0.06 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 3jur s GLU 427 CO 0.00 -0.10 0.79 -1.71 0.02 0.00 0.00 175.26 174.26 3jur n ASN 428 N 4.17 -6.21 -4.32 -0.19 5.15 -0.45 -1.48 115.26 111.93 3jur n ASN 428 Ca -0.22 -0.72 -0.23 0.00 -0.60 0.00 0.00 54.58 52.81 3jur n ASN 428 Cb 0.51 -4.14 -0.12 0.00 -0.53 0.00 0.00 39.78 35.50 3jur n ASN 428 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3jur s VAL 429 N -3.29 1.84 -0.11 3.44 -7.23 -0.22 -2.14 120.40 112.68 3jur s VAL 429 Ca 0.32 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3jur s VAL 429 Cb -0.09 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 35.12 3jur s VAL 429 CO 0.81 -0.17 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.65 3jur s ILE 430 N -1.60 1.47 -0.18 -0.62 1.01 -0.27 -0.84 121.20 120.18 3jur s ILE 430 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3jur s ILE 430 Cb -0.08 -1.36 0.04 0.00 0.01 0.00 0.00 42.46 41.07 3jur s ILE 430 CO 0.06 0.44 -0.08 -0.04 0.00 0.00 0.00 174.94 175.32 3jur s MET 431 N 1.10 1.71 -1.50 2.79 -1.94 0.23 -0.93 119.30 120.76 3jur s MET 431 Ca -0.04 -0.65 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 3jur s MET 431 Cb -0.14 -2.18 0.04 0.00 2.01 0.00 0.00 34.83 34.55 3jur s MET 431 CO -0.03 -0.42 0.42 0.09 -0.01 0.00 0.00 175.02 175.07 3jur n ASN 432 N 4.79 -0.72 0.00 3.03 3.02 -0.07 -1.04 115.26 124.27 3jur n ASN 432 Ca -0.13 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3jur n ASN 432 Cb 0.47 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 3jur n ASN 432 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jur n GLY 433 N -1.96 0.37 3.67 7.41 0.00 -1.26 -5.00 105.19 108.41 3jur n GLY 433 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3jur n GLY 433 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jur s SER 434 N -2.06 5.85 -0.17 1.61 0.01 -0.21 -5.10 113.70 113.63 3jur s SER 434 Ca 0.00 0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 3jur s SER 434 Cb 0.00 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 3jur s SER 434 CO 0.00 0.17 0.09 -0.60 0.41 0.00 0.00 173.24 173.31 3jur s ARG 435 N 0.43 3.87 -0.15 12.44 3.52 -1.26 -0.60 118.95 137.19 3jur s ARG 435 Ca 0.05 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 3jur s ARG 435 Cb -0.12 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3jur s ARG 435 CO -0.00 0.41 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.73 3jur s PHE 436 N 0.01 2.00 0.12 5.12 0.08 -0.02 -4.99 117.98 120.30 3jur s PHE 436 Ca 0.07 -1.18 -0.16 0.00 0.12 0.00 0.00 56.93 55.79 3jur s PHE 436 Cb -0.12 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 3jur s PHE 436 CO 0.00 -0.64 1.56 1.49 -0.10 0.00 0.00 175.22 177.53 3jur h GLU 437 N 8.07 0.65 -3.61 0.44 4.81 -1.91 -0.52 114.58 122.50 3jur h GLU 437 Ca -0.32 -0.20 -0.28 0.00 -0.13 0.00 0.00 59.36 58.43 3jur h GLU 437 Cb 1.12 -0.06 -0.32 0.00 0.63 0.00 0.00 28.75 30.13 3jur h GLU 437 CO 0.47 0.75 -0.73 0.15 -0.73 0.00 0.00 179.01 178.93 3jur s LYS 438 N -5.01 -0.00 -0.23 1.92 1.02 -1.26 -1.34 119.74 114.84 3jur s LYS 438 Ca -0.13 0.11 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 3jur s LYS 438 Cb 0.09 -0.17 0.08 0.00 -0.52 0.00 0.00 37.83 37.31 3jur s LYS 438 CO 0.78 -0.10 0.09 -1.17 -0.92 0.00 0.00 175.35 174.03 3jur s LEU 439 N 0.68 0.81 -0.13 3.17 0.20 -0.25 -4.99 118.68 118.17 3jur s LEU 439 Ca -0.06 -0.99 0.01 0.00 0.69 0.00 0.00 54.13 53.79 3jur s LEU 439 Cb -0.08 -0.43 -0.00 0.00 -0.43 0.00 0.00 46.19 45.25 3jur s LEU 439 CO -0.02 -0.38 -0.18 -0.31 -0.29 0.00 0.00 176.35 175.18 3jur s TYR 440 N 2.00 2.72 -0.02 5.38 2.02 -1.26 0.55 117.35 128.75 3jur s TYR 440 Ca 0.04 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3jur s TYR 440 Cb -0.16 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3jur s TYR 440 CO -0.19 -0.39 -0.03 0.42 -1.57 0.00 0.00 175.55 173.79 3jur s ILE 441 N 0.55 0.33 -0.13 2.71 1.01 0.21 -5.01 121.20 120.87 3jur s ILE 441 Ca -0.11 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3jur s ILE 441 Cb -0.16 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 41.98 3jur s ILE 441 CO 0.04 0.14 -0.13 -0.70 0.00 0.00 0.00 174.94 174.29 3jur s GLU 442 N 0.51 2.09 0.00 2.79 2.12 -1.26 -0.45 118.70 124.49 3jur s GLU 442 Ca -0.06 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.79 3jur s GLU 442 Cb -0.09 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.38 3jur s GLU 442 CO -0.01 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3jur n GLY 443 N 4.65 0.70 3.25 -1.50 0.00 -0.46 -5.00 105.19 106.82 3jur n GLY 443 Ca -0.17 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 3jur n GLY 443 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jur s LYS 444 N 0.00 1.38 -0.09 1.61 1.02 -1.26 -0.91 119.74 121.49 3jur s LYS 444 Ca 0.00 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 54.81 3jur s LYS 444 Cb 0.00 -1.49 0.06 0.00 -0.52 0.00 0.00 37.83 35.88 3jur s LYS 444 CO 0.00 0.38 0.59 0.00 -0.92 0.00 0.00 175.35 175.40 3jur s ALA 445 N -0.79 -1.52 -0.13 5.17 0.00 0.39 -4.98 121.76 119.91 3jur s ALA 445 Ca 0.07 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 3jur s ALA 445 Cb -0.09 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.82 3jur s ALA 445 CO 0.02 -0.33 0.02 -1.17 0.00 0.00 0.00 175.76 174.30 3jur s LEU 446 N -0.82 0.77 -0.15 0.00 2.96 -1.26 -0.23 118.68 119.96 3jur s LEU 446 Ca -0.09 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3jur s LEU 446 Cb -0.02 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.21 3jur s LEU 446 CO 0.06 -0.25 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.89 3jur s LEU 447 N 1.95 2.01 0.00 -0.68 1.43 0.79 -4.99 118.68 119.19 3jur s LEU 447 Ca 0.02 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3jur s LEU 447 Cb -0.14 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3jur s LEU 447 CO -0.07 0.04 0.38 1.17 0.23 0.00 0.00 176.35 178.10