#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 0.96 -0.34 -1.84 5.85 -2.05 -2.36 115.31 115.54 3jur h LEU 6 Ca 0.00 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3jur h LEU 6 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3jur h LEU 6 CO 0.00 1.12 0.10 0.00 -0.34 0.00 0.00 178.44 179.32 3jur h ALA 7 N 0.96 0.38 -0.84 1.25 0.00 -2.00 0.01 119.26 119.02 3jur h ALA 7 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3jur h ALA 7 Cb 0.74 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3jur h ALA 7 CO 0.06 -0.30 0.53 0.87 0.00 0.00 0.00 179.25 180.41 3jur h LYS 8 N 0.23 1.12 -0.33 0.00 1.57 -1.96 -1.27 116.57 115.94 3jur h LYS 8 Ca 0.15 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3jur h LYS 8 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3jur h LYS 8 CO -0.17 0.76 0.16 -0.22 -0.57 0.00 0.00 179.45 179.40 3jur h LYS 9 N 1.14 0.47 -0.27 3.15 3.64 -0.93 0.20 116.57 123.97 3jur h LYS 9 Ca 0.30 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3jur h LYS 9 Cb -0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3jur h LYS 9 CO -0.06 0.44 0.15 0.82 -2.27 0.00 0.00 179.45 178.53 3jur h ILE 10 N 0.39 1.12 -0.62 2.00 2.04 -0.83 -1.97 117.51 119.64 3jur h ILE 10 Ca 0.11 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3jur h ILE 10 Cb 0.12 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3jur h ILE 10 CO -0.01 0.11 0.38 -0.08 0.00 0.00 0.00 178.15 178.55 3jur h GLU 11 N 0.33 0.73 -0.22 2.37 4.81 -0.97 -1.20 114.58 120.43 3jur h GLU 11 Ca 0.10 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3jur h GLU 11 Cb 0.05 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3jur h GLU 11 CO -0.02 0.48 0.02 1.49 -0.73 0.00 0.00 179.01 180.26 3jur h GLU 12 N 0.75 0.10 -0.44 1.92 4.57 -0.84 -1.27 114.58 119.37 3jur h GLU 12 Ca 0.25 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.47 3jur h GLU 12 Cb 0.02 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 3jur h GLU 12 CO -0.10 0.06 0.18 1.49 -1.18 0.00 0.00 179.01 179.46 3jur h GLU 13 N 0.10 0.36 -0.38 1.92 4.57 -0.92 -1.64 114.58 118.59 3jur h GLU 13 Ca 0.10 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3jur h GLU 13 Cb 0.11 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3jur h GLU 13 CO -0.15 0.24 0.25 0.82 -1.18 0.00 0.00 179.01 178.98 3jur h ILE 14 N 0.37 1.09 0.00 2.32 2.04 -0.95 -2.53 117.51 119.86 3jur h ILE 14 Ca 0.20 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3jur h ILE 14 Cb 0.16 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3jur h ILE 14 CO -0.18 0.09 -0.08 -0.07 0.00 0.00 0.00 178.15 177.91 3jur h LEU 15 N 0.51 0.00 -1.08 1.44 3.38 -0.94 -2.11 115.31 116.51 3jur h LEU 15 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3jur h LEU 15 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3jur h LEU 15 CO -0.03 0.08 -0.15 0.78 0.09 0.00 0.00 178.44 179.21 3jur h ASN 16 N 0.00 0.00 0.00 -0.43 2.35 -0.85 -3.31 115.58 113.34 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 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3jur h ASN 16 CO 0.01 0.15 0.00 1.41 -1.65 0.00 0.00 177.43 177.35 3jur n HIS 17 N -3.27 0.00 -3.82 1.19 8.25 -0.84 -4.96 115.22 111.77 3jur n HIS 17 Ca 0.01 -0.42 -0.36 0.00 -0.26 0.00 0.00 57.72 56.68 3jur n HIS 17 Cb 0.41 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.84 3.83 0.01 1.59 1.01 -0.91 -4.70 120.40 120.38 3jur s VAL 18 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3jur s VAL 18 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3jur s VAL 18 CO 0.00 0.30 -0.02 -0.13 0.00 0.00 0.00 175.10 175.25 3jur s ARG 19 N 1.52 0.15 0.55 2.72 1.81 -1.26 -4.93 118.95 119.51 3jur s ARG 19 Ca 0.05 -0.23 -0.22 0.00 -1.72 0.00 0.00 55.73 53.61 3jur s ARG 19 Cb -0.15 -0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.28 3jur s ARG 19 CO 0.01 -0.00 1.38 -1.21 -0.68 0.00 0.00 175.30 174.79 3jur s GLU 20 N -0.51 3.14 0.34 3.54 8.01 -1.26 -4.81 118.70 127.15 3jur s GLU 20 Ca -0.05 2.28 -0.28 0.00 0.01 0.00 0.00 54.97 56.93 3jur s GLU 20 Cb -0.04 -2.27 -0.09 0.00 -4.31 0.00 0.00 34.13 27.42 3jur s GLU 20 CO -0.00 -1.21 1.17 -1.25 0.01 0.00 0.00 175.26 173.98 3jur s PRO 21 N -2.89 4.35 -0.06 0.39 0.04 -1.26 -5.00 135.00 130.57 3jur s PRO 21 Ca 0.71 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 63.35 3jur s PRO 21 Cb -0.41 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 3jur s PRO 21 CO 0.49 -0.07 1.33 -0.65 0.04 0.00 0.00 177.00 178.14 3jur s GLN 22 N -1.87 4.28 -0.11 4.56 -1.52 -1.26 -5.01 119.66 118.73 3jur s GLN 22 Ca 0.50 1.83 0.03 0.00 -1.95 0.00 0.00 55.36 55.77 3jur s GLN 22 Cb -0.33 -3.64 0.01 0.00 -0.22 0.00 0.00 33.01 28.82 3jur s GLN 22 CO 0.42 -0.59 -0.22 0.42 -0.25 0.00 0.00 175.29 175.08 3jur s ILE 23 N 2.72 1.93 0.53 1.08 -1.09 -1.26 -4.88 121.20 120.22 3jur s ILE 23 Ca 0.60 -0.92 -0.21 0.00 -2.23 0.00 0.00 60.65 57.89 3jur s ILE 23 Cb -0.27 -1.69 -0.07 0.00 -1.58 0.00 0.00 42.46 38.85 3jur s ILE 23 CO 0.23 0.53 1.02 -2.65 -1.23 0.00 0.00 174.94 172.83 3jur n PRO 24 N 3.79 1.16 -2.58 2.79 -0.02 -1.26 -4.85 135.00 134.03 3jur n PRO 24 Ca -0.20 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3jur n PRO 24 Cb 0.52 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3jur n PRO 24 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3jur s ASP 25 N -1.01 6.63 -0.28 2.55 2.15 -1.26 -4.37 116.67 121.08 3jur s ASP 25 Ca 0.70 -1.83 -0.23 0.00 0.43 0.00 0.00 52.55 51.62 3jur s ASP 25 Cb -0.46 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 39.67 3jur s ASP 25 CO 0.51 -1.37 0.81 -0.60 -0.17 0.00 0.00 175.17 174.34 3jur s ARG 26 N 4.64 0.72 0.05 4.34 3.52 -1.26 -5.07 118.95 125.89 3jur s ARG 26 Ca 0.48 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 3jur s ARG 26 Cb 0.01 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 3jur s ARG 26 CO -0.04 -0.10 -0.05 -1.83 -0.81 0.00 0.00 175.30 172.48 3jur s GLU 27 N 0.54 0.56 0.02 5.12 -1.05 -1.26 0.09 118.70 122.71 3jur s GLU 27 Ca -0.01 -0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 53.82 3jur s GLU 27 Cb -0.05 -0.00 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 3jur s GLU 27 CO -0.04 -0.04 -0.02 0.08 0.95 0.00 0.00 175.26 176.19 3jur s VAL 28 N -2.68 0.11 -0.13 1.83 1.01 0.10 -4.93 120.40 115.71 3jur s VAL 28 Ca -0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3jur s VAL 28 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 3jur s VAL 28 CO -0.04 -0.49 -0.07 0.21 0.00 0.00 0.00 175.10 174.71 3jur s ASN 29 N -1.44 4.56 0.42 3.32 3.84 -1.26 -0.39 114.94 123.99 3jur s ASN 29 Ca -0.16 -0.16 0.09 0.00 0.21 0.00 0.00 52.86 52.84 3jur s ASN 29 Cb -0.10 -1.60 0.92 0.00 -0.55 0.00 0.00 41.25 39.92 3jur s ASN 29 CO -0.01 0.21 2.05 0.25 -2.79 0.00 0.00 177.10 176.82 3jur h LEU 30 N 6.38 0.41 -2.60 3.21 5.85 -1.65 -1.62 115.31 125.29 3jur h LEU 30 Ca -0.33 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3jur h LEU 30 Cb 1.19 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3jur h LEU 30 CO 0.59 0.29 0.07 -0.07 -0.34 0.00 0.00 178.44 178.98 3jur h LEU 31 N 0.48 0.00 -1.13 2.25 3.38 -1.83 -1.40 115.31 117.07 3jur h LEU 31 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3jur h LEU 31 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3jur h LEU 31 CO -0.04 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.96 3jur n ASP 32 N -3.41 1.63 -0.55 -0.43 8.00 -0.61 -3.53 116.55 117.66 3jur n ASP 32 Ca -0.02 -2.02 0.06 0.00 0.71 0.00 0.00 54.79 53.51 3jur n ASP 32 Cb 0.15 -0.22 0.11 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.34 0.00 -0.49 1.24 3.72 -0.53 -4.99 117.46 116.75 3jur n PHE 33 Ca 0.10 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 3jur n PHE 33 Cb 0.27 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.75 3.81 1.37 0.00 -1.23 -4.19 105.19 104.96 3jur n GLY 34 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.36 3.06 -0.01 4.61 0.00 -1.24 -4.96 121.76 120.87 3jur s ALA 35 Ca 0.00 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.45 3jur s ALA 35 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 3jur s ALA 35 CO 0.00 0.10 -0.14 1.03 0.00 0.00 0.00 175.76 176.75 3jur s ARG 36 N -2.95 1.08 -0.21 0.00 0.52 -1.26 -4.63 118.95 111.50 3jur s ARG 36 Ca 0.60 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 3jur s ARG 36 Cb -0.12 -1.05 0.26 0.00 0.52 0.00 0.00 34.95 34.57 3jur s ARG 36 CO 0.16 0.29 1.50 0.41 0.02 0.00 0.00 175.30 177.68 3jur n GLY 37 N 2.69 3.20 0.58 -3.53 0.00 -1.26 -4.39 105.19 102.48 3jur n GLY 37 Ca -0.14 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.07 1.76 -1.40 1.61 5.68 -1.19 -1.59 116.55 121.35 3jur n ASP 38 Ca 0.25 -1.68 -0.16 0.00 -0.50 0.00 0.00 54.79 52.69 3jur n ASP 38 Cb 0.92 -0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 40.75 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 1.17 1.22 0.93 6.12 0.00 -0.29 -4.78 105.19 109.56 3jur n GLY 39 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.54 0.00 -2.12 1.61 1.74 -1.26 -4.88 116.66 109.22 3jur n ARG 40 Ca -0.17 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 3jur n ARG 40 Cb 0.56 -0.43 -0.03 0.00 -1.02 0.00 0.00 32.46 31.55 3jur n ARG 40 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3jur s THR 41 N -1.78 3.01 -0.25 0.55 2.01 -1.26 -4.96 115.64 112.95 3jur s THR 41 Ca 0.00 0.80 -0.29 0.00 0.31 0.00 0.00 61.69 62.51 3jur s THR 41 Cb 0.00 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 3jur s THR 41 CO 0.00 0.10 1.26 -0.62 -0.69 0.00 0.00 174.62 174.67 3jur s ASP 42 N 0.59 6.81 0.00 3.53 2.15 -1.26 -3.89 116.67 124.60 3jur s ASP 42 Ca 0.60 1.37 0.22 0.00 0.43 0.00 0.00 52.55 55.18 3jur s ASP 42 Cb -0.39 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.18 3jur s ASP 42 CO 0.37 -0.93 1.42 0.00 -0.17 0.00 0.00 175.17 175.86 3jur h SER 44 N 4.24 -0.54 -0.03 0.00 0.02 -1.91 -0.97 113.55 114.35 3jur h SER 44 Ca 0.00 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 3jur h SER 44 Cb 0.96 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3jur h SER 44 CO 0.00 -0.19 -0.27 -0.33 -1.14 0.00 0.00 176.83 174.90 3jur h GLU 45 N -0.03 0.47 -0.24 3.45 4.39 -1.95 -2.75 114.58 117.91 3jur h GLU 45 Ca 0.24 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.80 3jur h GLU 45 Cb 0.40 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3jur h GLU 45 CO -0.53 0.70 -0.02 0.77 -1.16 0.00 0.00 179.01 178.77 3jur h SER 46 N 0.41 -0.14 -0.29 1.42 0.02 -1.37 -0.56 113.55 113.05 3jur h SER 46 Ca 0.06 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3jur h SER 46 Cb 0.69 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3jur h SER 46 CO 0.05 -0.04 0.16 -0.26 -1.14 0.00 0.00 176.83 175.61 3jur h PHE 47 N 0.05 0.30 -0.26 3.45 0.04 -1.26 -1.17 116.94 118.10 3jur h PHE 47 Ca 0.11 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.95 3jur h PHE 47 Cb 0.16 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.16 3jur h PHE 47 CO -0.21 0.18 -0.10 0.87 -0.60 0.00 0.00 178.31 178.44 3jur h LYS 48 N 0.34 -0.06 -0.35 1.51 6.56 -1.21 -1.55 116.57 121.81 3jur h LYS 48 Ca 0.11 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.60 3jur h LYS 48 Cb 0.00 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3jur h LYS 48 CO -0.06 -0.04 -0.22 0.00 -2.06 0.00 0.00 179.45 177.08 3jur h ARG 49 N -0.06 0.76 -0.33 3.15 3.08 -0.93 -1.56 114.38 118.48 3jur h ARG 49 Ca 0.13 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3jur h ARG 49 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3jur h ARG 49 CO -0.30 0.97 0.20 0.00 -1.07 0.00 0.00 179.97 179.77 3jur h ALA 50 N 0.77 0.41 -0.65 0.04 0.00 -1.11 0.30 119.26 119.03 3jur h ALA 50 Ca 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3jur h ALA 50 Cb 0.77 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3jur h ALA 50 CO 0.06 -0.15 0.17 0.82 0.00 0.00 0.00 179.25 180.15 3jur h ILE 51 N 0.41 1.26 -0.41 0.00 2.04 -1.28 -1.48 117.51 118.04 3jur h ILE 51 Ca 0.13 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3jur h ILE 51 Cb -0.02 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3jur h ILE 51 CO -0.05 0.35 0.22 -0.08 0.00 0.00 0.00 178.15 178.59 3jur h GLU 52 N 0.97 0.58 -0.33 2.37 4.57 -1.04 0.98 114.58 122.68 3jur h GLU 52 Ca 0.21 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3jur h GLU 52 Cb 0.35 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3jur h GLU 52 CO 0.00 0.48 0.19 1.49 -1.18 0.00 0.00 179.01 179.99 3jur h GLU 53 N 0.53 0.46 -0.16 1.92 4.81 -0.73 0.91 114.58 122.32 3jur h GLU 53 Ca 0.14 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3jur h GLU 53 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3jur h GLU 53 CO -0.02 0.36 0.09 -0.07 -0.73 0.00 0.00 179.01 178.65 3jur h LEU 54 N 0.42 0.19 -0.72 1.64 3.38 -1.22 -3.20 115.31 115.81 3jur h LEU 54 Ca 0.12 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3jur h LEU 54 Cb 0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3jur h LEU 54 CO -0.02 0.20 0.34 -1.28 0.09 0.00 0.00 178.44 177.76 3jur h SER 55 N 0.18 0.95 -1.03 -0.43 0.87 -0.49 0.15 113.55 113.75 3jur h SER 55 Ca 0.06 -0.14 0.26 0.00 -1.23 0.00 0.00 61.79 60.73 3jur h SER 55 Cb 0.04 -0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 61.65 3jur h SER 55 CO -0.01 0.82 0.65 0.50 -0.53 0.00 0.00 176.83 178.26 3jur h LYS 56 N 1.01 0.45 -0.01 2.24 3.64 -0.84 -0.65 116.57 122.42 3jur h LYS 56 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3jur h LYS 56 Cb 0.13 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3jur h LYS 56 CO -0.03 0.30 -0.28 1.04 -2.27 0.00 0.00 179.45 178.21 3jur n GLN 57 N -4.70 0.89 0.00 1.90 6.02 -0.82 -4.92 117.38 115.75 3jur n GLN 57 Ca 0.26 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.69 3jur n GLN 57 Cb 0.83 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.60 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 1.35 0.81 0.00 1.08 0.00 -0.25 -5.05 105.19 103.14 3jur n GLY 58 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.15 0.46 0.00 -0.02 0.00 0.48 -4.82 105.19 100.13 3jur n GLY 59 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.80 0.00 3.55 -0.02 0.00 0.33 -4.73 105.19 103.53 3jur n GLY 60 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 3.80 -0.34 1.61 0.52 0.11 -1.01 118.95 121.64 3jur s ARG 61 Ca 0.00 -0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 3jur s ARG 61 Cb 0.00 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.38 3jur s ARG 61 CO 0.00 0.20 0.20 -1.17 0.02 0.00 0.00 175.30 174.55 3jur s LEU 62 N 0.52 4.41 -0.18 2.53 2.96 0.80 -0.72 118.68 128.99 3jur s LEU 62 Ca 0.00 -0.62 -0.23 0.00 -0.22 0.00 0.00 54.13 53.07 3jur s LEU 62 Cb -0.13 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3jur s LEU 62 CO 0.02 -0.26 0.71 -0.63 -1.32 0.00 0.00 176.35 174.87 3jur s ILE 63 N 1.63 4.96 -0.44 6.68 -1.09 0.48 -0.68 121.20 132.75 3jur s ILE 63 Ca 0.04 1.37 -0.08 0.00 -2.23 0.00 0.00 60.65 59.76 3jur s ILE 63 Cb -0.18 -4.02 0.10 0.00 -1.58 0.00 0.00 42.46 36.78 3jur s ILE 63 CO 0.08 0.08 0.29 -0.69 -1.23 0.00 0.00 174.94 173.46 3jur s VAL 64 N 1.98 4.06 0.89 2.92 1.01 0.20 -1.54 120.40 129.91 3jur s VAL 64 Ca 0.33 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 3jur s VAL 64 Cb -0.16 -3.61 0.21 0.00 0.00 0.00 0.00 36.38 32.82 3jur s VAL 64 CO 0.11 -0.65 0.94 -0.81 0.00 0.00 0.00 175.10 174.69 3jur n PRO 65 N 4.86 -2.00 -1.70 2.72 -0.04 -1.26 -0.59 135.00 136.99 3jur n PRO 65 Ca -0.08 -1.48 -0.39 0.00 -0.04 0.00 0.00 63.50 61.51 3jur n PRO 65 Cb 0.42 -1.20 0.03 0.00 -0.04 0.00 0.00 33.50 32.71 3jur n PRO 65 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3jur n GLU 66 N -3.76 1.56 0.00 0.54 0.00 -1.26 -2.26 120.64 115.47 3jur n GLU 66 Ca 0.12 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.86 3jur n GLU 66 Cb 0.46 -2.40 0.00 0.00 0.00 0.00 0.00 31.44 29.50 3jur n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jur n GLY 67 N 0.91 0.86 3.07 -1.84 0.00 -1.26 -4.83 105.19 102.09 3jur n GLY 67 Ca 0.10 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.04 1.94 -0.33 1.61 1.01 -0.62 0.02 120.40 122.98 3jur s VAL 68 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3jur s VAL 68 Cb 0.00 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3jur s VAL 68 CO 0.00 0.32 0.07 -0.36 0.00 0.00 0.00 175.10 175.12 3jur s PHE 69 N 1.29 3.30 0.17 5.22 0.08 0.23 -1.13 117.98 127.14 3jur s PHE 69 Ca 0.00 -1.78 -0.30 0.00 0.12 0.00 0.00 56.93 54.97 3jur s PHE 69 Cb -0.15 -2.33 -0.07 0.00 -0.57 0.00 0.00 43.02 39.89 3jur s PHE 69 CO -0.10 -0.80 1.12 -0.51 -0.10 0.00 0.00 175.22 174.83 3jur s LEU 70 N 1.29 4.47 0.05 -0.37 1.43 -1.25 -1.17 118.68 123.14 3jur s LEU 70 Ca -0.02 2.09 -0.26 0.00 -1.03 0.00 0.00 54.13 54.91 3jur s LEU 70 Cb -0.20 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.48 3jur s LEU 70 CO -0.00 -0.26 0.62 0.28 0.23 0.00 0.00 176.35 177.22 3jur s THR 71 N -0.09 0.01 0.00 5.49 -1.32 -0.64 0.10 115.64 119.19 3jur s THR 71 Ca 0.50 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 3jur s THR 71 Cb -0.30 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 3jur s THR 71 CO 0.34 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 3jur n GLY 72 N 0.29 -1.44 3.74 6.08 0.00 -1.26 -0.54 105.19 112.06 3jur n GLY 72 Ca -0.18 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.05 2.74 -0.21 1.61 0.04 -1.26 -4.84 135.00 132.04 3jur s PRO 73 Ca 0.00 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 3jur s PRO 73 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 3jur s PRO 73 CO 0.00 -1.39 0.03 0.42 0.04 0.00 0.00 177.00 176.10 3jur s ILE 74 N -1.67 4.24 -0.39 0.56 1.01 0.11 -5.01 121.20 120.06 3jur s ILE 74 Ca 0.77 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.11 3jur s ILE 74 Cb -0.31 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.28 3jur s ILE 74 CO 0.37 0.41 0.22 -1.00 0.00 0.00 0.00 174.94 174.94 3jur s HIS 75 N 0.98 3.29 0.73 3.97 3.76 -1.26 -1.35 115.29 125.41 3jur s HIS 75 Ca 0.03 -1.28 -0.12 0.00 -0.15 0.00 0.00 55.06 53.54 3jur s HIS 75 Cb -0.14 -2.67 0.03 0.00 1.11 0.00 0.00 32.58 30.91 3jur s HIS 75 CO 0.02 -0.75 1.12 -0.51 -0.85 0.00 0.00 174.74 173.76 3jur s LEU 76 N 1.48 2.81 0.21 0.89 1.43 -0.57 -4.99 118.68 119.94 3jur s LEU 76 Ca 0.02 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3jur s LEU 76 Cb -0.21 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 3jur s LEU 76 CO 0.04 -1.47 0.08 -0.54 0.23 0.00 0.00 176.35 174.69 3jur s LYS 77 N -5.40 1.24 0.42 1.70 1.02 -1.26 -4.72 119.74 112.74 3jur s LYS 77 Ca 0.59 -1.65 -0.25 0.00 0.02 0.00 0.00 55.97 54.68 3jur s LYS 77 Cb -0.11 -0.07 -0.10 0.00 -0.52 0.00 0.00 37.83 37.03 3jur s LYS 77 CO 0.51 -0.28 1.25 0.43 -0.92 0.00 0.00 175.35 176.34 3jur n SER 78 N -0.33 2.46 -0.76 2.83 7.64 -1.26 -3.08 113.62 121.11 3jur n SER 78 Ca -0.01 1.10 -0.09 0.00 1.01 0.00 0.00 58.87 60.88 3jur n SER 78 Cb 0.65 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 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 0.20 -3.83 -4.49 6.43 3.02 0.28 -4.73 115.26 112.15 3jur n ASN 79 Ca 0.07 0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.44 3jur n ASN 79 Cb 0.40 -2.36 -0.12 0.00 -0.61 0.00 0.00 39.78 37.08 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 -2.36 3.87 -0.25 2.41 -1.09 -1.16 -0.51 121.20 122.09 3jur s ILE 80 Ca 0.00 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 57.98 3jur s ILE 80 Cb 0.00 -2.70 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 3jur s ILE 80 CO 0.00 0.49 0.07 -0.70 -1.23 0.00 0.00 174.94 173.57 3jur s GLU 81 N 0.41 3.57 -0.54 2.79 2.12 -0.18 -1.54 118.70 125.33 3jur s GLU 81 Ca -0.04 -0.53 -0.24 0.00 0.36 0.00 0.00 54.97 54.52 3jur s GLU 81 Cb -0.14 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.96 3jur s GLU 81 CO 0.03 -0.22 0.93 -1.17 -0.54 0.00 0.00 175.26 174.28 3jur s LEU 82 N 1.60 4.12 -0.44 2.70 2.96 0.97 -0.14 118.68 130.45 3jur s LEU 82 Ca 0.06 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.51 3jur s LEU 82 Cb -0.15 -2.86 0.05 0.00 0.50 0.00 0.00 46.19 43.73 3jur s LEU 82 CO 0.03 -1.19 0.34 -2.28 -1.32 0.00 0.00 176.35 171.93 3jur s HIS 83 N 3.87 3.25 -0.38 5.38 5.65 0.14 -0.65 115.29 132.56 3jur s HIS 83 Ca 0.31 -0.80 -0.11 0.00 0.25 0.00 0.00 55.06 54.71 3jur s HIS 83 Cb -0.12 -2.88 0.03 0.00 -1.18 0.00 0.00 32.58 28.43 3jur s HIS 83 CO 0.20 -0.70 0.21 0.08 -0.65 0.00 0.00 174.74 173.88 3jur s VAL 84 N 1.65 4.58 -0.23 0.89 1.01 0.14 -0.63 120.40 127.80 3jur s VAL 84 Ca 0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3jur s VAL 84 Cb -0.22 -3.56 -0.18 0.00 0.00 0.00 0.00 36.38 32.42 3jur s VAL 84 CO 0.08 -0.24 -0.12 0.29 0.00 0.00 0.00 175.10 175.10 3jur n LYS 85 N 5.00 0.66 0.00 2.72 5.02 0.25 -0.25 118.16 131.56 3jur n LYS 85 Ca -0.12 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3jur n LYS 85 Cb 0.46 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 2.07 0.94 3.55 0.72 0.00 -0.96 -3.79 105.19 107.72 3jur n GLY 86 Ca -0.44 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 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 1.16 4.48 -0.34 2.61 2.01 0.10 -1.26 115.64 124.40 3jur s THR 87 Ca 0.00 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 3jur s THR 87 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 3jur s THR 87 CO 0.00 0.43 0.38 -0.63 -0.69 0.00 0.00 174.62 174.10 3jur s ILE 88 N 0.75 5.15 -0.25 1.82 1.01 0.03 -0.60 121.20 129.12 3jur s ILE 88 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 3jur s ILE 88 Cb -0.14 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3jur s ILE 88 CO 0.02 -0.09 -0.01 -0.75 0.00 0.00 0.00 174.94 174.11 3jur s LYS 89 N 2.06 3.19 0.08 2.79 2.20 -0.31 -0.63 119.74 129.12 3jur s LYS 89 Ca 0.13 -0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 3jur s LYS 89 Cb -0.16 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 3jur s LYS 89 CO 0.12 -0.31 0.85 -0.06 -0.36 0.00 0.00 175.35 175.59 3jur s PHE 90 N 1.46 3.78 -0.20 4.03 0.40 0.13 -1.62 117.98 125.96 3jur s PHE 90 Ca 0.04 1.63 -0.29 0.00 -0.60 0.00 0.00 56.93 57.70 3jur s PHE 90 Cb -0.16 -2.92 -0.00 0.00 0.51 0.00 0.00 43.02 40.45 3jur s PHE 90 CO -0.02 0.26 1.18 0.42 0.70 0.00 0.00 175.22 177.77 3jur s ILE 91 N -0.12 4.42 -0.10 0.64 1.01 0.30 -4.31 121.20 123.03 3jur s ILE 91 Ca 0.42 1.70 -0.04 0.00 0.00 0.00 0.00 60.65 62.73 3jur s ILE 91 Cb -0.22 -4.13 -0.14 0.00 0.01 0.00 0.00 42.46 37.98 3jur s ILE 91 CO 0.26 -0.19 3.11 -0.81 0.00 0.00 0.00 174.94 177.31 3jur n PRO 92 N 6.57 1.89 -3.72 2.79 -0.04 -1.26 -4.79 135.00 136.44 3jur n PRO 92 Ca 0.13 -1.11 -0.38 0.00 -0.04 0.00 0.00 63.50 62.10 3jur n PRO 92 Cb 0.45 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.59 5.34 0.53 3.54 3.68 -1.26 -4.86 116.67 125.23 3jur s ASP 93 Ca 0.52 -0.88 0.24 0.00 2.13 0.00 0.00 52.55 54.56 3jur s ASP 93 Cb 0.27 -1.92 1.38 0.00 -1.45 0.00 0.00 42.92 41.21 3jur s ASP 93 CO -0.04 -0.27 2.03 -0.65 0.13 0.00 0.00 175.17 176.37 3jur h PRO 94 N 8.28 0.00 -0.07 4.34 0.11 -2.01 -1.63 132.00 141.02 3jur h PRO 94 Ca -0.28 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3jur h PRO 94 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jur h PRO 94 CO 0.62 0.00 0.05 0.93 -0.21 0.00 0.00 178.00 179.39 3jur h GLU 95 N 0.00 0.00 0.00 1.05 4.39 -1.97 -1.59 114.58 116.46 3jur h GLU 95 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3jur h GLU 95 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3jur h GLU 95 CO -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3jur h ARG 96 N 0.00 0.00 -0.59 2.33 3.08 -1.66 -3.08 114.38 114.46 3jur h ARG 96 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3jur h ARG 96 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3jur h ARG 96 CO -0.00 0.00 0.05 0.66 -1.07 0.00 0.00 179.97 179.61 3jur n TYR 97 N -2.42 2.12 -4.38 3.04 4.01 -0.60 -4.42 117.16 114.51 3jur n TYR 97 Ca 0.02 -0.83 -0.25 0.00 -0.16 0.00 0.00 57.90 56.67 3jur n TYR 97 Cb 0.26 -0.54 -0.10 0.00 -0.31 0.00 0.00 39.34 38.65 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 -2.83 2.74 0.88 7.72 1.43 -1.16 -0.70 118.68 126.75 3jur s LEU 98 Ca 0.54 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3jur s LEU 98 Cb 0.42 -1.36 0.13 0.00 0.03 0.00 0.00 46.19 45.41 3jur s LEU 98 CO 0.15 0.07 1.15 -2.84 0.23 0.00 0.00 176.35 175.12 3jur s PRO 99 N -3.12 1.23 0.74 1.29 0.02 -1.26 -5.04 135.00 128.86 3jur s PRO 99 Ca 0.26 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 62.70 3jur s PRO 99 Cb -0.07 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.75 3jur s PRO 99 CO 0.14 -2.48 1.25 1.33 -0.33 0.00 0.00 177.00 176.91 3jur n VAL 100 N -4.00 3.29 -4.28 3.83 0.24 -1.26 -4.57 118.33 111.59 3jur n VAL 100 Ca 0.12 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 3jur n VAL 100 Cb 0.52 -1.33 -0.10 0.00 -1.47 0.00 0.00 33.84 31.46 3jur n VAL 100 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3jur s VAL 101 N -1.81 1.13 0.08 3.34 -7.23 -0.51 -4.84 120.40 110.56 3jur s VAL 101 Ca 0.78 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.58 3jur s VAL 101 Cb -0.33 -2.02 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 3jur s VAL 101 CO 0.46 -0.60 1.59 -0.22 -0.31 0.00 0.00 175.10 176.02 3jur s LEU 102 N -3.22 4.36 0.00 1.32 2.96 -1.26 -1.80 118.68 121.05 3jur s LEU 102 Ca 0.21 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 3jur s LEU 102 Cb 0.04 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3jur s LEU 102 CO 0.03 -0.84 0.00 1.07 -1.32 0.00 0.00 176.35 175.29 3jur n THR 103 N 4.55 0.00 -3.82 3.68 5.66 -0.30 -4.97 114.28 119.08 3jur n THR 103 Ca 0.15 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.03 3jur n THR 103 Cb 0.41 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.08 3jur n THR 103 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3jur s ARG 104 N 0.95 0.36 -0.16 1.09 3.52 -1.26 -2.03 118.95 121.41 3jur s ARG 104 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3jur s ARG 104 Cb 0.00 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 3jur s ARG 104 CO 0.00 -0.07 -0.10 0.12 -0.81 0.00 0.00 175.30 174.44 3jur s PHE 105 N -0.54 2.02 -1.38 5.12 5.36 -0.01 -4.83 117.98 123.71 3jur s PHE 105 Ca -0.06 -1.22 -0.18 0.00 -0.96 0.00 0.00 56.93 54.51 3jur s PHE 105 Cb -0.04 -1.48 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 3jur s PHE 105 CO 0.01 -0.65 0.33 0.39 -1.46 0.00 0.00 175.22 173.84 3jur n GLU 106 N 4.80 -0.57 -0.35 10.12 1.02 -1.26 -2.23 120.64 132.17 3jur n GLU 106 Ca -0.14 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3jur n GLU 106 Cb 0.48 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 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 -2.35 0.90 3.18 0.62 0.00 -1.26 -4.71 105.19 101.56 3jur n GLY 107 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.82 1.85 0.40 -0.61 1.01 -0.95 -1.26 121.20 118.83 3jur s ILE 108 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 3jur s ILE 108 Cb 0.00 -1.61 -0.08 0.00 0.01 0.00 0.00 42.46 40.77 3jur s ILE 108 CO 0.00 0.51 1.17 -1.61 0.00 0.00 0.00 174.94 175.01 3jur s GLU 109 N 0.42 4.08 0.14 2.79 2.02 -1.26 -0.83 118.70 126.05 3jur s GLU 109 Ca -0.18 1.84 -0.25 0.00 0.02 0.00 0.00 54.97 56.40 3jur s GLU 109 Cb -0.17 -2.69 0.07 0.00 0.10 0.00 0.00 34.13 31.43 3jur s GLU 109 CO 0.08 -0.30 0.93 -0.48 0.02 0.00 0.00 175.26 175.51 3jur s LEU 110 N -2.46 -0.21 -0.19 1.80 2.34 -0.86 -4.90 118.68 114.19 3jur s LEU 110 Ca 0.57 -0.36 -0.13 0.00 0.06 0.00 0.00 54.13 54.26 3jur s LEU 110 Cb -0.31 2.18 -0.05 0.00 -0.56 0.00 0.00 46.19 47.46 3jur s LEU 110 CO 0.39 -0.90 0.26 -0.31 -1.06 0.00 0.00 176.35 174.73 3jur s TYR 111 N -3.31 3.40 0.34 3.48 2.02 -0.00 -1.15 117.35 122.13 3jur s TYR 111 Ca 0.11 0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 57.15 3jur s TYR 111 Cb -0.02 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.24 3jur s TYR 111 CO 0.01 0.16 0.68 1.21 -1.57 0.00 0.00 175.55 176.04 3jur s ASN 112 N 0.70 0.11 0.07 2.29 2.47 -0.74 -0.72 114.94 119.11 3jur s ASN 112 Ca 0.14 -1.08 -0.28 0.00 0.42 0.00 0.00 52.86 52.06 3jur s ASN 112 Cb -0.13 0.76 -0.15 0.00 -1.45 0.00 0.00 41.25 40.28 3jur s ASN 112 CO 0.04 -1.49 0.67 -1.22 -3.72 0.00 0.00 177.10 171.38 3jur n TYR 113 N -0.51 0.13 -1.76 0.43 4.01 -1.26 -1.42 117.16 116.78 3jur n TYR 113 Ca -0.05 0.81 -0.41 0.00 -0.16 0.00 0.00 57.90 58.09 3jur n TYR 113 Cb 0.60 -1.62 -0.01 0.00 -0.31 0.00 0.00 39.34 38.01 3jur n TYR 113 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3jur n SER 114 N 1.36 3.88 -4.54 7.72 2.88 0.12 -4.71 113.62 120.33 3jur n SER 114 Ca 0.15 1.17 -0.33 0.00 -1.33 0.00 0.00 58.87 58.53 3jur n SER 114 Cb 0.12 -1.61 0.12 0.00 -0.75 0.00 0.00 64.21 62.09 3jur n SER 114 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3jur n PRO 115 N 1.62 -0.08 -0.03 -1.46 -0.02 -1.26 -4.81 135.00 128.96 3jur n PRO 115 Ca 0.06 0.04 -0.07 0.00 -2.02 0.00 0.00 63.50 61.51 3jur n PRO 115 Cb 0.38 -2.08 0.12 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.22 0.64 -7.67 2.45 3.38 -1.01 -3.39 115.31 108.50 3jur h LEU 116 Ca -0.44 -0.25 -0.55 0.00 0.09 0.00 0.00 57.88 56.72 3jur h LEU 116 Cb 1.30 -0.18 -0.37 0.00 0.09 0.00 0.00 40.66 41.50 3jur h LEU 116 CO 0.40 0.91 -0.80 -0.69 0.09 0.00 0.00 178.44 178.35 3jur s VAL 117 N -4.43 1.15 -0.03 1.22 1.01 -0.41 0.08 120.40 118.99 3jur s VAL 117 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3jur s VAL 117 Cb 0.13 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 3jur s VAL 117 CO 0.82 0.22 -0.12 -0.47 0.00 0.00 0.00 175.10 175.54 3jur s TYR 118 N 1.63 1.23 -0.04 5.22 5.04 -0.45 -0.41 117.35 129.57 3jur s TYR 118 Ca 0.02 -0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.33 3jur s TYR 118 Cb -0.14 -0.84 0.03 0.00 0.35 0.00 0.00 41.96 41.36 3jur s TYR 118 CO -0.08 -0.10 0.06 0.00 -1.34 0.00 0.00 175.55 174.09 3jur s ALA 119 N 0.05 0.07 -0.10 3.97 0.00 -0.38 -1.51 121.76 123.86 3jur s ALA 119 Ca -0.02 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3jur s ALA 119 Cb -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3jur s ALA 119 CO 0.01 -0.29 -0.20 -1.17 0.00 0.00 0.00 175.76 174.11 3jur s LEU 120 N 1.58 2.30 -1.46 0.00 2.96 -1.26 0.90 118.68 123.71 3jur s LEU 120 Ca -0.03 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 3jur s LEU 120 Cb -0.12 -1.47 0.07 0.00 0.50 0.00 0.00 46.19 45.16 3jur s LEU 120 CO -0.04 0.18 0.75 0.47 -1.32 0.00 0.00 176.35 176.40 3jur n ASP 121 N 3.40 -4.64 -4.85 3.68 8.00 0.10 -4.97 116.55 117.26 3jur n ASP 121 Ca -0.18 -0.57 -0.26 0.00 0.71 0.00 0.00 54.79 54.49 3jur n ASP 121 Cb 0.53 -3.75 -0.05 0.00 -0.02 0.00 0.00 41.12 37.83 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 -3.16 1.19 -0.56 0.00 -1.05 -1.26 -1.70 118.70 112.16 3jur s GLU 123 Ca 0.32 -0.99 -0.00 0.00 -0.15 0.00 0.00 54.97 54.15 3jur s GLU 123 Cb -0.10 -1.33 0.00 0.00 -0.44 0.00 0.00 34.13 32.26 3jur s GLU 123 CO 0.25 0.33 0.53 0.09 0.95 0.00 0.00 175.26 177.41 3jur n ASN 124 N 1.56 -6.43 -4.09 0.83 3.02 -0.32 -1.43 115.26 108.39 3jur n ASN 124 Ca -0.18 -0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.09 3jur n ASN 124 Cb 0.54 -4.29 -0.16 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.97 1.23 0.01 2.41 1.01 -0.61 -0.55 120.40 120.92 3jur s VAL 125 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3jur s VAL 125 Cb -0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3jur s VAL 125 CO 0.57 0.36 -0.07 0.00 0.00 0.00 0.00 175.10 175.96 3jur s ALA 126 N 0.09 0.60 -0.21 5.51 0.00 -0.59 -1.24 121.76 125.93 3jur s ALA 126 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3jur s ALA 126 Cb -0.11 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3jur s ALA 126 CO 0.02 0.10 -0.15 0.42 0.00 0.00 0.00 175.76 176.14 3jur s ILE 127 N -0.56 2.35 0.34 0.00 1.01 0.72 -0.02 121.20 125.03 3jur s ILE 127 Ca -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3jur s ILE 127 Cb -0.05 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3jur s ILE 127 CO 0.00 0.39 0.14 0.42 0.00 0.00 0.00 174.94 175.89 3jur s THR 128 N 1.29 0.52 0.00 2.92 -4.23 0.18 -0.27 115.64 116.05 3jur s THR 128 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3jur s THR 128 Cb -0.15 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3jur s THR 128 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3jur n GLY 129 N -0.69 1.43 1.32 3.99 0.00 -1.22 0.28 105.19 110.31 3jur n GLY 129 Ca -0.01 -2.18 0.09 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 4.32 -2.35 1.61 3.41 -0.98 -2.31 113.62 117.32 3jur n SER 130 Ca 0.00 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 3jur n SER 130 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 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 0.79 -0.50 3.13 5.00 0.00 0.66 -4.73 105.19 109.54 3jur n GLY 131 Ca 0.23 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.10 1.42 -0.29 1.61 1.01 -0.39 -1.24 120.40 122.42 3jur s VAL 132 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3jur s VAL 132 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3jur s VAL 132 CO 0.00 0.41 0.13 -0.76 0.00 0.00 0.00 175.10 174.87 3jur s LEU 133 N 0.04 3.87 -0.30 3.92 1.43 0.12 -0.79 118.68 126.97 3jur s LEU 133 Ca -0.04 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3jur s LEU 133 Cb -0.11 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.19 3jur s LEU 133 CO 0.02 -0.13 -0.02 -0.62 0.23 0.00 0.00 176.35 175.83 3jur s ASP 134 N 1.62 4.72 0.00 2.29 -1.08 0.20 -1.38 116.67 123.05 3jur s ASP 134 Ca 0.05 -1.51 0.24 0.00 -0.52 0.00 0.00 52.55 50.81 3jur s ASP 134 Cb -0.16 -1.64 1.02 0.00 -1.46 0.00 0.00 42.92 40.68 3jur s ASP 134 CO 0.06 -0.27 1.76 0.61 0.52 0.00 0.00 175.17 177.85 3jur n GLY 135 N 4.49 -1.29 2.61 2.66 0.00 -0.59 -0.70 105.19 112.37 3jur n GLY 135 Ca -0.10 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.48 -5.53 -4.75 1.61 7.64 -0.97 -4.66 113.62 105.48 3jur n SER 136 Ca 0.06 0.52 -0.40 0.00 1.01 0.00 0.00 58.87 60.06 3jur n SER 136 Cb 0.27 -4.87 -0.05 0.00 -1.01 0.00 0.00 64.21 58.54 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 -2.77 3.35 0.00 -0.43 0.00 -0.38 -4.79 121.76 116.73 3jur s ALA 137 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 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 0.08 0.00 -0.40 0.00 0.00 0.00 175.76 175.44 3jur n ASP 138 N 1.62 0.00 0.00 0.00 5.68 -0.68 -4.66 116.55 118.51 3jur n ASP 138 Ca -0.01 -0.36 0.07 0.00 -0.50 0.00 0.00 54.79 53.99 3jur n ASP 138 Cb 0.47 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.75 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 -0.40 0.00 0.00 -1.12 4.13 -1.26 -2.28 115.26 114.33 3jur n ASN 139 Ca 0.00 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.67 3jur n ASN 139 Cb 0.00 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 3jur n ASN 139 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3jur n GLU 140 N -1.45 -0.11 -3.69 3.52 0.00 -1.26 -4.18 120.64 113.48 3jur n GLU 140 Ca 0.04 -0.72 -0.20 0.00 0.00 0.00 0.00 57.16 56.28 3jur n GLU 140 Cb 0.15 -0.99 -0.18 0.00 0.00 0.00 0.00 31.44 30.42 3jur n GLU 140 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3jur s HIS 141 N -0.22 0.14 0.00 -1.84 3.76 -0.97 -4.94 115.29 111.22 3jur s HIS 141 Ca 0.00 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 3jur s HIS 141 Cb 0.00 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3jur s HIS 141 CO 0.00 -0.20 0.00 0.91 -0.85 0.00 0.00 174.74 174.60 3jur n TRP 142 N 5.25 0.00 -0.03 1.40 7.02 -1.26 -1.68 117.44 128.14 3jur n TRP 142 Ca -0.04 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.58 3jur n TRP 142 Cb 0.50 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.95 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 0.28 -0.08 -5.99 6.55 -1.82 -1.67 115.95 113.21 3jur h TRP 143 Ca 0.00 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.87 3jur h TRP 143 Cb 0.00 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.21 3jur h TRP 143 CO 0.00 0.13 0.11 -1.35 -1.05 0.00 0.00 178.44 176.28 3jur h PRO 144 N 0.26 0.00 0.00 0.49 0.11 -1.76 -2.71 132.00 128.38 3jur h PRO 144 Ca 0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 3jur h PRO 144 Cb 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 3jur h PRO 144 CO -0.05 0.00 -0.08 -1.49 -0.21 0.00 0.00 178.00 176.17 3jur h TRP 145 N 0.00 0.00 -0.99 0.65 4.06 -1.58 -2.19 115.95 115.90 3jur h TRP 145 Ca 0.04 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.03 3jur h TRP 145 Cb 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.36 3jur h TRP 145 CO 0.00 0.08 0.65 -0.22 -3.56 0.00 0.00 178.44 175.38 3jur h LYS 146 N 0.00 1.20 0.00 0.49 1.63 -1.68 0.35 116.57 118.56 3jur h LYS 146 Ca -0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3jur h LYS 146 Cb 0.32 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3jur h LYS 146 CO 0.01 0.79 0.00 0.41 -3.45 0.00 0.00 179.45 177.21 3jur n GLY 147 N -1.38 1.00 3.65 5.01 0.00 -0.82 -4.51 105.19 108.14 3jur n GLY 147 Ca 0.14 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.56 4.01 0.34 1.61 1.02 -1.26 -4.92 119.74 119.98 3jur s LYS 148 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.70 3jur s LYS 148 Cb 0.00 -3.29 0.62 0.00 -0.52 0.00 0.00 37.83 34.65 3jur s LYS 148 CO 0.00 0.24 1.96 0.87 -0.92 0.00 0.00 175.35 177.50 3jur h LYS 149 N 6.83 0.73 -0.91 1.68 1.57 -1.95 -1.86 116.57 122.66 3jur h LYS 149 Ca -0.38 -0.08 0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3jur h LYS 149 Cb 1.16 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 3jur h LYS 149 CO 0.70 0.56 0.62 -0.44 -0.57 0.00 0.00 179.45 180.32 3jur h ASP 150 N 0.74 0.24 -0.23 0.86 5.19 -1.94 -2.30 116.42 118.98 3jur h ASP 150 Ca 0.19 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.53 3jur h ASP 150 Cb 0.05 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.49 3jur h ASP 150 CO -0.03 0.09 -0.15 0.49 -3.12 0.00 0.00 179.24 176.52 3jur n PHE 151 N -4.42 0.72 -0.11 4.55 3.72 -0.74 -4.97 117.46 116.21 3jur n PHE 151 Ca 0.19 -1.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.17 3jur n PHE 151 Cb 0.82 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.07 0.65 3.74 1.37 0.00 -0.86 -3.22 105.19 105.80 3jur n GLY 152 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.16 3.33 0.08 1.61 -0.00 -0.99 -4.75 118.94 116.07 3jur s TRP 153 Ca 0.00 1.34 0.06 0.00 -0.00 0.00 0.00 56.10 57.50 3jur s TRP 153 Cb 0.00 -3.52 -0.04 0.00 -0.00 0.00 0.00 33.47 29.91 3jur s TRP 153 CO 0.00 -1.53 -0.07 0.15 -0.00 0.00 0.00 176.95 175.50 3jur s LYS 154 N -0.31 2.30 0.25 5.86 3.01 -1.26 -4.27 119.74 125.33 3jur s LYS 154 Ca 0.54 -0.92 -0.31 0.00 -1.01 0.00 0.00 55.97 54.27 3jur s LYS 154 Cb -0.35 -2.39 -0.13 0.00 -1.01 0.00 0.00 37.83 33.95 3jur s LYS 154 CO 0.38 0.53 1.47 -1.91 0.51 0.00 0.00 175.35 176.34 3jur n GLU 155 N 0.85 2.23 -0.37 1.68 4.07 -1.26 -2.04 120.64 125.81 3jur n GLU 155 Ca -0.13 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 3jur n GLU 155 Cb 0.52 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 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 2.20 1.91 3.89 8.31 0.00 -1.26 -5.02 105.19 115.22 3jur n GLY 156 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 4.22 0.72 0.99 2.01 -0.86 -5.07 118.68 120.69 3jur s LEU 157 Ca 0.00 0.67 -0.13 0.00 0.01 0.00 0.00 54.13 54.68 3jur s LEU 157 Cb 0.00 -3.41 0.03 0.00 0.01 0.00 0.00 46.19 42.82 3jur s LEU 157 CO 0.00 -0.01 1.11 -2.16 1.01 0.00 0.00 176.35 176.30 3jur s PRO 158 N -2.84 2.44 0.27 1.29 0.04 -1.26 -4.87 135.00 130.07 3jur s PRO 158 Ca 0.43 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 3jur s PRO 158 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3jur s PRO 158 CO 0.25 -1.52 0.36 0.27 0.04 0.00 0.00 177.00 176.39 3jur n ASN 159 N -2.98 -0.99 0.17 6.66 0.23 -1.26 -4.72 115.26 112.37 3jur n ASN 159 Ca 0.10 -2.50 0.13 0.00 -0.53 0.00 0.00 54.58 51.78 3jur n ASN 159 Cb 0.52 1.89 0.53 0.00 -2.08 0.00 0.00 39.78 40.64 3jur n ASN 159 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3jur h GLN 160 N 0.00 0.00 -0.24 -3.83 3.07 -0.42 -3.39 115.11 110.30 3jur h GLN 160 Ca -0.21 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.59 3jur h GLN 160 Cb 0.92 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.42 3jur h GLN 160 CO 0.28 0.00 -0.21 1.96 0.09 0.00 0.00 178.83 180.95 3jur h GLN 161 N 0.00 -0.21 -0.72 0.06 4.20 -1.85 -0.04 115.11 116.54 3jur h GLN 161 Ca 0.00 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3jur h GLN 161 Cb 0.44 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3jur h GLN 161 CO 0.00 -0.14 0.25 0.93 -0.67 0.00 0.00 178.83 179.20 3jur h GLU 162 N -0.22 1.11 -0.52 1.46 4.39 -2.01 -2.12 114.58 116.68 3jur h GLU 162 Ca 0.14 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 3jur h GLU 162 Cb 0.42 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3jur h GLU 162 CO -0.37 0.94 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.94 3jur h ASP 163 N 1.06 0.88 -0.10 1.42 3.45 -1.70 -1.29 116.42 120.14 3jur h ASP 163 Ca 0.24 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3jur h ASP 163 Cb 0.27 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3jur h ASP 163 CO -0.01 0.97 0.06 0.58 -1.57 0.00 0.00 179.24 179.27 3jur h VAL 164 N 0.83 1.04 -0.41 -1.35 2.07 -0.83 0.12 116.25 117.73 3jur h VAL 164 Ca 0.15 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3jur h VAL 164 Cb 0.55 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3jur h VAL 164 CO 0.03 0.04 0.09 0.50 0.02 0.00 0.00 177.57 178.25 3jur h LYS 165 N 0.11 0.21 -0.45 1.57 3.64 -1.25 -0.78 116.57 119.62 3jur h LYS 165 Ca 0.04 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3jur h LYS 165 Cb 0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3jur h LYS 165 CO -0.01 0.14 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.00 3jur h LYS 166 N 0.22 0.86 -0.37 1.90 3.64 -1.04 -1.86 116.57 119.92 3jur h LYS 166 Ca 0.20 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3jur h LYS 166 Cb 0.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3jur h LYS 166 CO -0.25 0.96 0.21 1.25 -2.27 0.00 0.00 179.45 179.34 3jur h LEU 167 N 0.70 0.33 -0.32 5.20 5.85 -0.49 -0.92 115.31 125.66 3jur h LEU 167 Ca 0.12 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3jur h LEU 167 Cb 0.63 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3jur h LEU 167 CO 0.04 0.24 0.11 0.11 -0.34 0.00 0.00 178.44 178.59 3jur h LYS 168 N 0.42 0.24 -0.69 1.25 1.57 -0.98 -1.84 116.57 116.54 3jur h LYS 168 Ca 0.15 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3jur h LYS 168 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3jur h LYS 168 CO -0.08 0.16 0.42 0.93 -0.57 0.00 0.00 179.45 180.31 3jur h GLU 169 N 0.24 0.94 -0.27 3.15 5.08 -1.14 0.27 114.58 122.85 3jur h GLU 169 Ca 0.14 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3jur h GLU 169 Cb 0.12 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3jur h GLU 169 CO -0.15 0.66 -0.00 0.52 -1.00 0.00 0.00 179.01 179.04 3jur h MET 170 N 0.94 0.08 -0.51 2.33 2.86 -0.97 -1.37 114.93 118.28 3jur h MET 170 Ca 0.25 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 3jur h MET 170 Cb -0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3jur h MET 170 CO -0.05 0.05 0.13 0.00 1.06 0.00 0.00 176.91 178.10 3jur h ALA 171 N 1.23 0.67 -0.49 6.32 0.00 -0.96 -0.75 119.26 125.28 3jur h ALA 171 Ca 0.13 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3jur h ALA 171 Cb 0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3jur h ALA 171 CO -0.22 0.37 0.16 0.93 0.00 0.00 0.00 179.25 180.50 3jur h GLU 172 N 0.71 0.32 0.00 0.00 5.08 -0.76 -2.10 114.58 117.84 3jur h GLU 172 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3jur h GLU 172 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3jur h GLU 172 CO 0.00 0.21 0.00 0.54 -1.00 0.00 0.00 179.01 178.77 3jur n ARG 173 N -5.02 0.15 -1.57 2.33 3.00 -0.53 -4.89 116.66 110.13 3jur n ARG 173 Ca 0.05 0.39 -0.05 0.00 -0.01 0.00 0.00 57.85 58.24 3jur n ARG 173 Cb 0.20 -1.79 -0.01 0.00 0.00 0.00 0.00 32.46 30.86 3jur n ARG 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jur n GLY 174 N -0.06 0.49 3.68 -0.13 0.00 -0.79 -4.99 105.19 103.38 3jur n GLY 174 Ca 0.02 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 3jur n GLY 174 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3jur n THR 175 N -3.38 0.56 -1.57 2.61 -1.04 -0.32 -4.91 114.28 106.23 3jur n THR 175 Ca -0.05 -0.10 -0.44 0.00 -2.04 0.00 0.00 64.05 61.42 3jur n THR 175 Cb 0.33 -1.96 -0.01 0.00 -1.82 0.00 0.00 70.33 66.87 3jur n THR 175 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3jur n PRO 176 N 6.52 1.19 -0.32 -2.82 -0.02 -1.26 -4.74 135.00 133.55 3jur n PRO 176 Ca 0.21 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 3jur n PRO 176 Cb 0.32 -1.79 0.32 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.75 0.83 0.00 -1.45 2.07 -1.91 -1.03 116.25 116.52 3jur h VAL 177 Ca -0.39 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3jur h VAL 177 Cb 1.35 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3jur h VAL 177 CO 0.59 0.15 0.00 -1.84 0.02 0.00 0.00 177.57 176.49 3jur n GLU 178 N -4.62 0.05 -0.23 1.57 0.00 -1.26 -1.07 120.64 115.08 3jur n GLU 178 Ca 0.19 0.26 0.11 0.00 0.00 0.00 0.00 57.16 57.73 3jur n GLU 178 Cb 0.46 -1.58 0.26 0.00 0.00 0.00 0.00 31.44 30.58 3jur n GLU 178 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3jur n GLU 179 N -1.67 2.46 -3.23 3.44 1.02 -0.39 -4.73 120.64 117.55 3jur n GLU 179 Ca 0.04 -2.23 -0.40 0.00 -0.02 0.00 0.00 57.16 54.54 3jur n GLU 179 Cb 0.20 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.39 3.76 -3.63 3.49 1.74 -0.23 -4.99 116.66 118.18 3jur n ARG 180 Ca 0.20 -4.54 -0.38 0.00 -0.77 0.00 0.00 57.85 52.36 3jur n ARG 180 Cb 0.57 -2.47 -0.11 0.00 -1.02 0.00 0.00 32.46 29.42 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 -2.21 4.92 0.00 1.55 1.01 -1.26 -0.82 120.40 123.59 3jur s VAL 181 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3jur s VAL 181 Cb 0.01 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3jur s VAL 181 CO 0.01 0.18 0.00 0.49 0.00 0.00 0.00 175.10 175.79 3jur n PHE 182 N 5.02 0.00 -0.36 5.22 3.72 0.10 -4.99 117.46 126.18 3jur n PHE 182 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 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 1.67 3.69 1.37 0.00 -1.26 -4.80 105.19 110.86 3jur n GLY 183 Ca 0.00 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 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 12.84 2.32 -0.76 1.61 4.81 -1.26 -1.36 118.16 136.36 3jur n LYS 184 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3jur n LYS 184 Cb 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.46 3jur n LYS 184 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3jur n GLY 185 N 2.98 0.80 3.25 3.14 0.00 -1.26 -5.04 105.19 109.07 3jur n GLY 185 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.04 1.36 -0.32 1.61 3.76 -0.46 -5.09 115.29 113.12 3jur s HIS 186 Ca 0.00 -0.64 0.07 0.00 -0.15 0.00 0.00 55.06 54.33 3jur s HIS 186 Cb 0.00 -0.69 0.46 0.00 1.11 0.00 0.00 32.58 33.46 3jur s HIS 186 CO 0.00 0.14 1.28 0.66 -0.85 0.00 0.00 174.74 175.97 3jur n TYR 187 N 0.12 2.50 -3.42 1.40 4.01 -1.26 -4.77 117.16 115.75 3jur n TYR 187 Ca -0.12 -2.22 -0.41 0.00 -0.16 0.00 0.00 57.90 54.99 3jur n TYR 187 Cb 0.59 -0.45 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 -3.58 4.51 0.55 7.72 1.43 -1.26 -3.97 118.68 124.08 3jur s LEU 188 Ca 0.51 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.09 3jur s LEU 188 Cb 0.42 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3jur s LEU 188 CO 0.02 -0.34 1.16 -0.13 0.23 0.00 0.00 176.35 177.29 3jur s ARG 189 N 1.96 3.28 0.57 1.70 0.52 -1.26 -4.72 118.95 121.00 3jur s ARG 189 Ca 0.11 1.69 -0.06 0.00 -0.52 0.00 0.00 55.73 56.95 3jur s ARG 189 Cb -0.17 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.28 3jur s ARG 189 CO 0.12 -0.92 0.88 -1.25 0.02 0.00 0.00 175.30 174.14 3jur s PRO 190 N -3.24 3.10 0.84 3.54 0.04 -1.26 -4.99 135.00 133.02 3jur s PRO 190 Ca 0.73 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 3jur s PRO 190 Cb -0.26 -2.29 0.09 0.00 0.04 0.00 0.00 34.50 32.08 3jur s PRO 190 CO 0.29 -0.58 1.09 -1.12 0.04 0.00 0.00 177.00 176.73 3jur s SER 191 N -4.25 4.04 0.00 6.66 0.01 -1.26 -4.09 113.70 114.81 3jur s SER 191 Ca 0.52 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.26 3jur s SER 191 Cb -0.10 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.94 3jur s SER 191 CO 0.45 -2.28 0.00 0.33 0.41 0.00 0.00 173.24 172.16 3jur n PHE 192 N -3.65 0.00 -3.57 2.43 -0.00 -0.25 -2.84 117.46 109.59 3jur n PHE 192 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.13 3jur n PHE 192 Cb 0.55 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.48 39.88 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 -0.10 5.28 -0.09 -2.13 1.01 0.06 -1.22 120.40 123.20 3jur s VAL 193 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3jur s VAL 193 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3jur s VAL 193 CO 0.00 0.14 -0.07 -1.58 0.00 0.00 0.00 175.10 173.59 3jur s GLN 194 N 1.74 1.33 -0.29 2.72 0.74 0.45 -0.09 119.66 126.26 3jur s GLN 194 Ca 0.07 -0.21 -0.09 0.00 0.05 0.00 0.00 55.36 55.18 3jur s GLN 194 Cb -0.17 -1.36 -0.01 0.00 1.10 0.00 0.00 33.01 32.57 3jur s GLN 194 CO 0.11 -0.19 0.13 -0.06 -0.55 0.00 0.00 175.29 174.72 3jur s PHE 195 N 1.44 3.16 -0.31 1.67 0.08 -1.15 -1.25 117.98 121.62 3jur s PHE 195 Ca -0.01 -0.55 -0.05 0.00 0.12 0.00 0.00 56.93 56.44 3jur s PHE 195 Cb -0.13 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.03 3jur s PHE 195 CO -0.04 -0.43 0.05 -0.47 -0.10 0.00 0.00 175.22 174.23 3jur s TYR 196 N 1.61 3.20 -1.34 0.36 5.04 0.26 -0.02 117.35 126.45 3jur s TYR 196 Ca 0.05 -1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 53.25 3jur s TYR 196 Cb -0.17 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 39.96 3jur s TYR 196 CO 0.05 -0.70 0.89 0.54 -1.34 0.00 0.00 175.55 175.00 3jur n ARG 197 N 4.77 -5.84 -3.89 4.97 1.74 0.59 -0.73 116.66 118.28 3jur n ARG 197 Ca -0.14 0.69 -0.21 0.00 -0.77 0.00 0.00 57.85 57.42 3jur n ARG 197 Cb 0.46 -5.49 -0.03 0.00 -1.02 0.00 0.00 32.46 26.38 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 -3.97 0.40 -0.39 0.00 3.52 -0.69 -1.59 118.95 116.22 3jur s ARG 199 Ca 0.38 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.85 3jur s ARG 199 Cb -0.08 -0.43 0.00 0.00 -1.56 0.00 0.00 34.95 32.88 3jur s ARG 199 CO 0.27 0.02 0.42 0.09 -0.81 0.00 0.00 175.30 175.29 3jur n ASN 200 N 3.39 -5.73 -4.26 -2.12 3.02 -0.37 -1.18 115.26 108.01 3jur n ASN 200 Ca -0.18 0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.16 3jur n ASN 200 Cb 0.55 -3.77 -0.17 0.00 -0.61 0.00 0.00 39.78 35.79 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 -2.62 2.08 -0.09 2.41 1.01 -0.04 -1.58 120.40 121.58 3jur s VAL 201 Ca 0.06 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3jur s VAL 201 Cb -0.02 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3jur s VAL 201 CO 0.48 0.57 -0.18 -0.22 0.00 0.00 0.00 175.10 175.75 3jur s LEU 202 N -0.01 1.85 -0.16 3.92 2.96 -0.37 -0.16 118.68 126.70 3jur s LEU 202 Ca -0.08 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3jur s LEU 202 Cb -0.15 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.43 3jur s LEU 202 CO 0.05 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.31 3jur s VAL 203 N 0.63 1.77 0.04 1.68 1.01 0.03 -0.20 120.40 125.35 3jur s VAL 203 Ca -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 3jur s VAL 203 Cb -0.16 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3jur s VAL 203 CO 0.04 0.49 0.08 -1.83 0.00 0.00 0.00 175.10 173.88 3jur s GLU 204 N 1.41 0.58 0.00 2.72 -1.05 0.63 -0.83 118.70 122.15 3jur s GLU 204 Ca 0.05 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 3jur s GLU 204 Cb -0.13 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 3jur s GLU 204 CO -0.12 -0.14 0.00 0.41 0.95 0.00 0.00 175.26 176.36 3jur n GLY 205 N 0.76 1.89 3.83 -3.83 0.00 -0.86 -3.42 105.19 103.55 3jur n GLY 205 Ca -0.19 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.17 4.23 -0.15 1.61 -7.23 -0.98 -4.46 120.40 113.26 3jur s VAL 206 Ca 0.00 0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 61.07 3jur s VAL 206 Cb 0.00 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 3jur s VAL 206 CO 0.00 -0.72 0.09 -0.75 -0.31 0.00 0.00 175.10 173.41 3jur s LYS 207 N -4.38 3.66 -0.18 4.82 2.20 -0.38 -1.56 119.74 123.92 3jur s LYS 207 Ca 0.60 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.93 3jur s LYS 207 Cb -0.13 -3.17 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 3jur s LYS 207 CO 0.40 0.52 -0.11 0.42 -0.36 0.00 0.00 175.35 176.23 3jur s ILE 208 N -0.32 2.95 0.13 5.43 1.01 0.43 0.16 121.20 130.99 3jur s ILE 208 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3jur s ILE 208 Cb -0.12 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3jur s ILE 208 CO 0.01 0.48 -0.10 0.27 0.00 0.00 0.00 174.94 175.61 3jur s ILE 209 N 1.09 1.08 -1.29 2.92 -4.36 -0.48 -0.87 121.20 119.29 3jur s ILE 209 Ca 0.00 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.45 3jur s ILE 209 Cb -0.15 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3jur s ILE 209 CO -0.03 -0.70 0.74 0.59 0.24 0.00 0.00 174.94 175.78 3jur n ASN 210 N 0.01 -1.25 -4.74 4.36 3.02 -1.26 -1.54 115.26 113.86 3jur n ASN 210 Ca -0.12 -0.79 -0.40 0.00 -0.03 0.00 0.00 54.58 53.23 3jur n ASN 210 Cb 0.60 -4.19 -0.05 0.00 -0.61 0.00 0.00 39.78 35.53 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 -4.37 7.52 0.31 6.41 0.15 -1.26 -1.25 113.70 121.22 3jur s SER 211 Ca 0.00 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.46 3jur s SER 211 Cb -0.00 -2.58 0.50 0.00 -1.71 0.00 0.00 66.02 62.23 3jur s SER 211 CO 0.80 0.04 1.92 -0.65 1.20 0.00 0.00 173.24 176.55 3jur h PRO 212 N 5.00 0.87 0.00 5.44 0.11 -1.85 -3.44 132.00 138.13 3jur h PRO 212 Ca -0.44 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3jur h PRO 212 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3jur h PRO 212 CO 0.70 0.67 0.00 -0.12 -0.21 0.00 0.00 178.00 179.04 3jur n MET 213 N -4.36 0.00 -2.18 1.05 1.56 -1.26 -4.64 117.12 107.29 3jur n MET 213 Ca 0.06 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.08 3jur n MET 213 Cb 0.12 0.00 -0.03 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 2.01 3.19 -0.09 1.12 0.52 -1.19 -3.96 118.94 120.55 3jur s TRP 214 Ca 0.00 1.27 -0.00 0.00 0.02 0.00 0.00 56.10 57.38 3jur s TRP 214 Cb 0.00 -3.63 -0.00 0.00 -1.15 0.00 0.00 33.47 28.69 3jur s TRP 214 CO 0.00 -1.91 -0.00 0.00 0.02 0.00 0.00 176.95 175.05 3jur s ILE 216 N -1.51 1.99 -0.49 0.00 1.01 -0.27 -0.76 121.20 121.17 3jur s ILE 216 Ca -0.00 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3jur s ILE 216 Cb 0.00 -1.84 0.19 0.00 0.01 0.00 0.00 42.46 40.82 3jur s ILE 216 CO 0.00 0.46 0.43 1.57 0.00 0.00 0.00 174.94 177.40 3jur n HIS 217 N 4.62 0.38 -2.56 3.97 -0.00 0.87 -0.69 115.22 121.83 3jur n HIS 217 Ca -0.19 -3.62 -0.41 0.00 0.46 0.00 0.00 57.72 53.95 3jur n HIS 217 Cb 0.49 -0.09 -0.04 0.00 -0.12 0.00 0.00 29.99 30.24 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 -0.66 4.58 -0.07 1.57 0.04 -1.25 -2.95 135.00 136.26 3jur s PRO 218 Ca 0.32 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3jur s PRO 218 Cb 0.05 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3jur s PRO 218 CO -0.17 0.02 -0.14 0.08 0.04 0.00 0.00 177.00 176.84 3jur s VAL 219 N 0.18 1.26 -1.54 -0.36 1.01 0.97 -1.41 120.40 120.52 3jur s VAL 219 Ca 0.51 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3jur s VAL 219 Cb -0.27 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.06 3jur s VAL 219 CO 0.32 0.38 0.90 0.18 0.00 0.00 0.00 175.10 176.88 3jur n LEU 220 N 3.76 -2.30 -4.59 3.92 4.77 0.02 -0.30 117.00 122.29 3jur n LEU 220 Ca -0.22 -0.77 -0.24 0.00 -0.03 0.00 0.00 56.01 54.75 3jur n LEU 220 Cb 0.52 -2.44 -0.09 0.00 -2.33 0.00 0.00 43.42 39.08 3jur n LEU 220 CO 0.26 0.40 -0.36 -0.44 -1.33 0.00 0.00 177.39 175.92 3jur s SER 221 N -3.22 4.10 0.00 -1.43 0.01 -1.25 -3.85 113.70 108.07 3jur s SER 221 Ca 0.65 -0.91 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 3jur s SER 221 Cb -0.33 -0.55 -0.00 0.00 0.21 0.00 0.00 66.02 65.35 3jur s SER 221 CO 0.80 -0.09 -0.00 -0.70 0.41 0.00 0.00 173.24 173.66 3jur s GLU 222 N -3.64 0.04 -0.60 12.44 2.12 -0.62 -1.80 118.70 126.63 3jur s GLU 222 Ca 0.32 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.55 3jur s GLU 222 Cb -0.03 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.38 3jur s GLU 222 CO 0.18 -0.01 0.61 -1.71 -0.54 0.00 0.00 175.26 173.79 3jur n ASN 223 N 2.91 -7.25 -4.20 -1.70 5.15 -0.67 -1.24 115.26 108.26 3jur n ASN 223 Ca -0.13 0.07 -0.32 0.00 -0.60 0.00 0.00 54.58 53.60 3jur n ASN 223 Cb 0.59 -4.90 -0.17 0.00 -0.53 0.00 0.00 39.78 34.78 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 -2.87 2.02 -0.19 3.44 1.01 -0.76 -0.86 120.40 122.19 3jur s VAL 224 Ca 0.05 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3jur s VAL 224 Cb -0.02 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3jur s VAL 224 CO 0.68 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 175.53 3jur s ILE 225 N 0.47 2.34 -0.23 2.22 1.01 0.77 -0.73 121.20 127.06 3jur s ILE 225 Ca -0.16 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 3jur s ILE 225 Cb -0.17 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 3jur s ILE 225 CO 0.06 0.50 -0.02 -0.63 0.00 0.00 0.00 174.94 174.86 3jur s ILE 226 N 1.33 3.55 -0.09 2.92 -1.09 0.98 -0.79 121.20 128.01 3jur s ILE 226 Ca 0.05 -0.46 -0.07 0.00 -2.23 0.00 0.00 60.65 57.94 3jur s ILE 226 Cb -0.13 -2.64 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 3jur s ILE 226 CO -0.11 0.38 0.23 0.00 -1.23 0.00 0.00 174.94 174.21 3jur s ARG 227 N 1.50 0.24 -1.53 2.79 1.70 -0.01 -1.66 118.95 121.99 3jur s ARG 227 Ca 0.06 0.36 -0.05 0.00 -0.47 0.00 0.00 55.73 55.62 3jur s ARG 227 Cb -0.15 0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 3jur s ARG 227 CO -0.02 -0.06 0.59 0.09 -1.08 0.00 0.00 175.30 174.82 3jur n ASN 228 N 3.27 -5.82 -4.93 -2.89 4.13 -0.81 -2.56 115.26 105.65 3jur n ASN 228 Ca -0.16 -0.30 -0.20 0.00 1.68 0.00 0.00 54.58 55.61 3jur n ASN 228 Cb 0.57 -4.71 -0.02 0.00 -1.54 0.00 0.00 39.78 34.08 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 -3.15 3.94 -0.10 2.41 -4.36 -1.26 -2.04 121.20 116.64 3jur s ILE 229 Ca 0.31 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 3jur s ILE 229 Cb -0.14 -3.34 0.01 0.00 1.25 0.00 0.00 42.46 40.23 3jur s ILE 229 CO 0.39 -0.18 -0.20 -0.70 0.24 0.00 0.00 174.94 174.49 3jur s GLU 230 N -4.08 2.65 -0.22 0.37 2.12 -0.60 -1.16 118.70 117.78 3jur s GLU 230 Ca 0.42 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.93 3jur s GLU 230 Cb -0.08 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 3jur s GLU 230 CO 0.29 0.06 0.12 0.42 -0.54 0.00 0.00 175.26 175.61 3jur s ILE 231 N 0.63 5.06 -0.39 -3.70 -1.09 0.54 -0.43 121.20 121.82 3jur s ILE 231 Ca -0.13 0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.39 3jur s ILE 231 Cb -0.16 -3.33 0.16 0.00 -1.58 0.00 0.00 42.46 37.54 3jur s ILE 231 CO 0.04 0.39 0.31 -0.55 -1.23 0.00 0.00 174.94 173.90 3jur s SER 232 N 0.86 1.80 -0.27 3.58 0.15 -0.05 -0.37 113.70 119.39 3jur s SER 232 Ca 0.06 -2.62 -0.07 0.00 0.70 0.00 0.00 55.95 54.02 3jur s SER 232 Cb -0.13 -0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.05 3jur s SER 232 CO 0.03 -0.22 0.57 -0.55 1.20 0.00 0.00 173.24 174.26 3jur s SER 233 N 0.52 -0.87 -0.23 5.45 0.15 -0.67 -4.02 113.70 114.02 3jur s SER 233 Ca 0.27 1.22 0.11 0.00 0.70 0.00 0.00 55.95 58.24 3jur s SER 233 Cb -0.07 1.97 0.45 0.00 -1.71 0.00 0.00 66.02 66.66 3jur s SER 233 CO -0.11 -0.24 1.31 0.35 1.20 0.00 0.00 173.24 175.75 3jur n THR 234 N 5.43 2.32 -1.72 6.45 -2.24 -1.26 -1.82 114.28 121.44 3jur n THR 234 Ca -0.09 -3.02 -0.07 0.00 -2.27 0.00 0.00 64.05 58.61 3jur n THR 234 Cb 0.50 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.13 -0.36 3.71 3.38 0.00 -1.26 -4.44 105.19 105.09 3jur n GLY 235 Ca 0.24 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.44 4.37 -1.59 1.61 0.04 -1.26 -2.32 135.00 132.40 3jur s PRO 236 Ca 0.18 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3jur s PRO 236 Cb -0.01 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3jur s PRO 236 CO 0.12 -0.38 0.00 0.09 0.04 0.00 0.00 177.00 176.87 3jur n ASN 237 N 4.24 -5.34 -3.56 6.66 4.13 -1.26 -4.67 115.26 115.46 3jur n ASN 237 Ca 0.11 0.06 -0.40 0.00 1.68 0.00 0.00 54.58 56.03 3jur n ASN 237 Cb 0.45 -4.47 -0.02 0.00 -1.54 0.00 0.00 39.78 34.19 3jur n ASN 237 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3jur n ASN 238 N -1.93 4.75 -4.74 6.41 5.03 -0.98 -3.15 115.26 120.65 3jur n ASN 238 Ca -0.22 -2.69 -0.38 0.00 0.87 0.00 0.00 54.58 52.16 3jur n ASN 238 Cb 0.66 -1.46 0.05 0.00 -1.02 0.00 0.00 39.78 38.01 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 3.38 5.07 0.00 6.41 1.11 -1.25 -2.55 116.67 128.83 3jur s ASP 239 Ca 0.53 2.73 0.00 0.00 0.18 0.00 0.00 52.55 55.99 3jur s ASP 239 Cb 0.15 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.50 3jur s ASP 239 CO -0.03 -1.70 0.07 0.61 1.18 0.00 0.00 175.17 175.30 3jur n GLY 240 N 0.77 -0.05 3.00 0.21 0.00 -0.83 -0.93 105.19 107.36 3jur n GLY 240 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.82 1.11 -0.67 -0.61 1.01 -0.26 -1.11 121.20 119.86 3jur s ILE 241 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3jur s ILE 241 Cb 0.00 -1.03 0.19 0.00 0.01 0.00 0.00 42.46 41.63 3jur s ILE 241 CO 0.00 0.35 0.57 0.47 0.00 0.00 0.00 174.94 176.33 3jur n ASP 242 N 3.99 3.04 -4.62 3.58 8.00 0.13 -0.73 116.55 129.93 3jur n ASP 242 Ca -0.22 -3.24 -0.43 0.00 0.71 0.00 0.00 54.79 51.62 3jur n ASP 242 Cb 0.51 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3jur n ASP 242 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3jur s PRO 243 N -1.70 3.46 -0.25 -0.24 0.02 -1.20 -3.93 135.00 131.16 3jur s PRO 243 Ca 0.30 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3jur s PRO 243 Cb 0.02 -4.28 0.05 0.00 0.02 0.00 0.00 34.50 30.31 3jur s PRO 243 CO -0.12 -1.73 -0.10 -2.00 -0.33 0.00 0.00 177.00 172.72 3jur s GLU 244 N 5.67 2.50 -1.49 5.54 2.12 -0.50 -0.91 118.70 131.64 3jur s GLU 244 Ca 0.93 -1.18 -0.12 0.00 0.36 0.00 0.00 54.97 54.96 3jur s GLU 244 Cb -0.34 -2.90 0.06 0.00 0.26 0.00 0.00 34.13 31.22 3jur s GLU 244 CO 0.36 -0.49 0.97 0.43 -0.54 0.00 0.00 175.26 175.99 3jur n SER 245 N 4.54 -5.20 -4.93 -1.70 7.64 -0.34 -0.80 113.62 112.84 3jur n SER 245 Ca -0.15 -0.67 -0.28 0.00 1.01 0.00 0.00 58.87 58.77 3jur n SER 245 Cb 0.44 -4.14 -0.04 0.00 -1.01 0.00 0.00 64.21 59.47 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 -2.95 1.80 -0.30 0.00 2.20 -0.74 -0.84 119.74 118.91 3jur s LYS 247 Ca 0.36 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 55.40 3jur s LYS 247 Cb -0.12 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.72 3jur s LYS 247 CO 0.28 0.10 0.28 0.66 -0.36 0.00 0.00 175.35 176.31 3jur n TYR 248 N 3.59 -2.94 -4.00 4.03 4.01 -0.92 -2.32 117.16 118.61 3jur n TYR 248 Ca -0.21 1.24 -0.14 0.00 -0.16 0.00 0.00 57.90 58.63 3jur n TYR 248 Cb 0.52 -3.54 -0.14 0.00 -0.31 0.00 0.00 39.34 35.88 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 -1.88 0.19 -0.14 -0.72 1.75 -0.84 -1.66 119.30 116.00 3jur s MET 249 Ca 0.12 -0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.47 3jur s MET 249 Cb -0.03 -0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.48 3jur s MET 249 CO 0.62 0.05 -0.20 -1.17 -0.65 0.00 0.00 175.02 173.66 3jur s LEU 250 N -0.12 2.01 -0.21 4.11 2.96 0.09 -0.82 118.68 126.70 3jur s LEU 250 Ca 0.00 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 3jur s LEU 250 Cb -0.01 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 45.34 3jur s LEU 250 CO -0.00 0.05 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.29 3jur s ILE 251 N 0.96 2.26 -0.04 6.68 1.01 0.11 -0.01 121.20 132.16 3jur s ILE 251 Ca -0.04 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.35 3jur s ILE 251 Cb -0.15 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.28 3jur s ILE 251 CO -0.04 0.35 0.37 -1.83 0.00 0.00 0.00 174.94 173.79 3jur s GLU 252 N 1.26 0.67 -1.52 2.79 -1.05 -0.66 -0.90 118.70 119.29 3jur s GLU 252 Ca 0.01 -0.00 -0.01 0.00 -0.15 0.00 0.00 54.97 54.81 3jur s GLU 252 Cb -0.15 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 3jur s GLU 252 CO -0.10 -0.18 0.16 1.63 0.95 0.00 0.00 175.26 177.73 3jur n LYS 253 N 1.53 -2.34 -4.02 -4.83 4.76 -1.00 -1.93 118.16 110.33 3jur n LYS 253 Ca -0.20 0.87 -0.25 0.00 -2.87 0.00 0.00 58.31 55.86 3jur n LYS 253 Cb 0.56 -5.42 -0.04 0.00 -1.84 0.00 0.00 35.03 28.29 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 -3.30 2.97 -0.09 0.00 6.06 -0.31 -0.88 118.95 123.40 3jur s ARG 255 Ca 0.33 -0.85 0.03 0.00 -2.50 0.00 0.00 55.73 52.73 3jur s ARG 255 Cb -0.10 -2.32 0.01 0.00 0.06 0.00 0.00 34.95 32.60 3jur s ARG 255 CO 0.26 0.25 -0.17 -0.06 -2.50 0.00 0.00 175.30 173.08 3jur s PHE 256 N 0.19 1.95 -0.21 5.12 0.08 -0.24 -0.34 117.98 124.53 3jur s PHE 256 Ca -0.13 -0.81 -0.02 0.00 0.12 0.00 0.00 56.93 56.09 3jur s PHE 256 Cb -0.16 -1.37 0.06 0.00 -0.57 0.00 0.00 43.02 40.97 3jur s PHE 256 CO 0.07 -0.38 0.01 0.34 -0.10 0.00 0.00 175.22 175.16 3jur s ASP 257 N 0.67 3.15 0.09 1.36 2.15 0.49 -2.11 116.67 122.48 3jur s ASP 257 Ca -0.13 -0.92 0.07 0.00 0.43 0.00 0.00 52.55 52.00 3jur s ASP 257 Cb -0.16 -0.74 -0.03 0.00 -0.30 0.00 0.00 42.92 41.69 3jur s ASP 257 CO 0.04 -0.29 -0.19 0.42 -0.17 0.00 0.00 175.17 174.98 3jur s THR 258 N 1.74 1.53 -1.47 1.71 -4.23 -1.26 -1.68 115.64 111.98 3jur s THR 258 Ca -0.02 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.32 3jur s THR 258 Cb -0.18 -1.40 0.35 0.00 1.34 0.00 0.00 72.50 72.61 3jur s THR 258 CO -0.08 -0.10 1.79 0.61 -0.54 0.00 0.00 174.62 176.30 3jur n GLY 259 N 1.18 -1.04 0.00 3.99 0.00 -0.75 -2.23 105.19 106.33 3jur n GLY 259 Ca -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.09 0.17 -4.74 1.61 -0.08 -1.19 -4.54 116.55 106.70 3jur n ASP 260 Ca 0.12 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.98 3jur n ASP 260 Cb 0.30 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.75 3jur n ASP 260 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3jur n ASP 261 N 0.00 3.44 0.00 1.67 8.00 -1.26 -1.88 116.55 126.52 3jur n ASP 261 Ca 0.00 1.21 -0.00 0.00 0.71 0.00 0.00 54.79 56.70 3jur n ASP 261 Cb 0.00 -1.57 -0.00 0.00 -0.02 0.00 0.00 41.12 39.53 3jur n ASP 261 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3jur h SER 262 N 3.17 -0.02 -3.32 -2.24 0.02 -1.09 -2.22 113.55 107.86 3jur h SER 262 Ca -0.48 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.81 3jur h SER 262 Cb 1.25 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.51 3jur h SER 262 CO 0.66 0.06 -0.75 -0.69 -1.14 0.00 0.00 176.83 174.97 3jur s VAL 263 N -1.29 3.09 -0.04 2.27 1.01 -1.01 -1.10 120.40 123.33 3jur s VAL 263 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3jur s VAL 263 Cb 0.00 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.04 3jur s VAL 263 CO 0.01 0.47 0.05 0.54 0.00 0.00 0.00 175.10 176.16 3jur s VAL 264 N 1.18 -0.03 -0.21 2.92 0.11 0.09 -0.40 120.40 124.06 3jur s VAL 264 Ca 0.02 0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 3jur s VAL 264 Cb -0.14 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3jur s VAL 264 CO -0.03 0.17 0.30 -0.63 -3.33 0.00 0.00 175.10 171.59 3jur s ILE 265 N 1.92 5.27 0.30 7.04 1.01 -0.26 -3.21 121.20 133.28 3jur s ILE 265 Ca 0.02 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.20 3jur s ILE 265 Cb -0.12 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3jur s ILE 265 CO -0.03 0.30 0.11 -0.54 0.00 0.00 0.00 174.94 174.78 3jur s LYS 266 N 1.10 1.57 -0.26 2.79 1.02 -0.09 -1.11 119.74 124.76 3jur s LYS 266 Ca 0.15 -1.88 0.08 0.00 0.02 0.00 0.00 55.97 54.34 3jur s LYS 266 Cb -0.14 -0.38 0.28 0.00 -0.52 0.00 0.00 37.83 37.07 3jur s LYS 266 CO 0.06 -0.34 1.22 -1.13 -0.92 0.00 0.00 175.35 174.25 3jur n SER 267 N -0.74 -1.14 0.00 2.83 3.41 0.14 -1.19 113.62 116.93 3jur n SER 267 Ca -0.01 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3jur n SER 267 Cb 0.66 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 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 -0.96 -0.57 3.25 5.00 0.00 -1.22 -1.09 105.19 109.61 3jur n GLY 268 Ca -0.12 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.91 3.13 6.15 1.61 3.52 -0.38 -1.39 118.95 128.68 3jur s ARG 269 Ca 0.00 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3jur s ARG 269 Cb 0.00 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 3jur s ARG 269 CO 0.00 0.18 0.00 -0.25 -0.81 0.00 0.00 175.30 174.42 3jur n ASP 270 N 3.55 0.00 -0.27 -2.12 8.00 -1.26 -1.81 116.55 122.64 3jur n ASP 270 Ca -0.19 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.27 3jur n ASP 270 Cb 0.53 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.74 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 -0.85 1.14 -0.14 2.24 0.00 -1.87 -1.00 119.26 118.77 3jur h ALA 271 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jur h ALA 271 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3jur h ALA 271 CO 0.00 0.64 0.08 0.22 0.00 0.00 0.00 179.25 180.19 3jur h ASP 272 N 1.12 0.13 -0.94 0.00 3.58 -1.75 0.13 116.42 118.69 3jur h ASP 272 Ca 0.27 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.73 3jur h ASP 272 Cb 0.15 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 3jur h ASP 272 CO -0.03 0.10 0.62 1.23 -2.88 0.00 0.00 179.24 178.28 3jur h GLY 273 N 0.17 1.32 1.33 -0.78 0.00 -1.02 -1.95 103.07 102.14 3jur h GLY 273 Ca 0.05 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 3jur h GLY 273 CO -0.03 0.48 -0.54 3.21 0.00 0.00 0.00 176.54 179.67 3jur h ARG 274 N 1.27 0.70 0.06 4.80 3.08 -1.02 -0.33 114.38 122.94 3jur h ARG 274 Ca 0.34 -0.44 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3jur h ARG 274 Cb -0.15 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3jur h ARG 274 CO -0.07 1.06 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.63 3jur h ARG 275 N 0.54 -0.29 -0.46 0.04 2.43 -0.40 -2.88 114.38 113.36 3jur h ARG 275 Ca 0.01 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3jur h ARG 275 Cb 1.11 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3jur h ARG 275 CO 0.11 -0.20 0.03 0.82 -1.51 0.00 0.00 179.97 179.23 3jur h ILE 276 N -0.30 1.26 -6.20 1.20 2.04 -1.40 -3.47 117.51 110.63 3jur h ILE 276 Ca 0.03 -0.99 -0.45 0.00 1.00 0.00 0.00 64.86 64.46 3jur h ILE 276 Cb 0.34 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3jur h ILE 276 CO -0.11 0.34 -0.78 0.61 0.00 0.00 0.00 178.15 178.21 3jur n GLY 277 N -0.44 -0.42 3.14 5.37 0.00 -0.14 -4.99 105.19 107.72 3jur n GLY 277 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.44 2.32 0.73 1.61 1.01 -1.26 -5.01 120.40 116.36 3jur s VAL 278 Ca 0.41 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3jur s VAL 278 Cb -0.20 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3jur s VAL 278 CO 0.82 0.38 1.08 -2.16 0.00 0.00 0.00 175.10 175.22 3jur s PRO 279 N 1.28 2.67 -0.04 2.72 0.04 -1.07 -4.53 135.00 136.07 3jur s PRO 279 Ca 0.02 0.73 -0.22 0.00 0.04 0.00 0.00 61.00 61.57 3jur s PRO 279 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3jur s PRO 279 CO -0.10 -1.23 0.64 -1.12 0.04 0.00 0.00 177.00 175.24 3jur s SER 280 N -3.98 6.97 -0.03 6.66 0.01 -0.65 -3.99 113.70 118.70 3jur s SER 280 Ca 0.59 1.16 -0.28 0.00 1.31 0.00 0.00 55.95 58.73 3jur s SER 280 Cb -0.13 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.77 3jur s SER 280 CO 0.54 -0.01 0.62 -1.83 0.41 0.00 0.00 173.24 172.97 3jur s GLU 281 N 0.35 1.02 -0.95 12.44 -1.05 -0.02 -1.56 118.70 128.94 3jur s GLU 281 Ca 0.34 0.13 -0.05 0.00 -0.15 0.00 0.00 54.97 55.24 3jur s GLU 281 Cb -0.18 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 3jur s GLU 281 CO 0.17 -0.33 0.83 0.66 0.95 0.00 0.00 175.26 177.55 3jur n TYR 282 N 0.84 -2.60 -4.94 4.83 4.01 -0.51 -2.63 117.16 116.15 3jur n TYR 282 Ca -0.19 0.93 -0.33 0.00 -0.16 0.00 0.00 57.90 58.15 3jur n TYR 282 Cb 0.58 -4.06 -0.15 0.00 -0.31 0.00 0.00 39.34 35.39 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 -3.26 2.63 -0.20 -0.72 -1.09 -1.10 -1.99 121.20 115.47 3jur s ILE 283 Ca 0.30 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3jur s ILE 283 Cb -0.05 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.77 3jur s ILE 283 CO 0.75 0.54 -0.12 -0.22 -1.23 0.00 0.00 174.94 174.66 3jur s LEU 284 N 0.37 2.51 -0.27 2.97 2.96 0.00 -1.35 118.68 125.87 3jur s LEU 284 Ca -0.14 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 3jur s LEU 284 Cb -0.17 -1.61 0.06 0.00 0.50 0.00 0.00 46.19 44.97 3jur s LEU 284 CO 0.07 -0.01 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 3jur s VAL 285 N 1.37 2.34 -0.04 1.68 1.01 0.18 -0.71 120.40 126.23 3jur s VAL 285 Ca 0.05 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 3jur s VAL 285 Cb -0.14 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3jur s VAL 285 CO -0.08 -0.06 0.20 0.00 0.00 0.00 0.00 175.10 175.16 3jur s ARG 286 N 1.13 0.40 -1.28 2.72 1.70 -0.08 -0.74 118.95 122.80 3jur s ARG 286 Ca -0.08 -0.02 -0.01 0.00 -0.47 0.00 0.00 55.73 55.15 3jur s ARG 286 Cb -0.20 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 3jur s ARG 286 CO -0.04 -0.08 0.19 -0.25 -1.08 0.00 0.00 175.30 174.04 3jur n ASP 287 N 2.18 -4.84 -4.95 -2.89 8.00 -0.99 -2.83 116.55 110.24 3jur n ASP 287 Ca -0.18 -0.10 -0.24 0.00 0.71 0.00 0.00 54.79 54.98 3jur n ASP 287 Cb 0.57 -3.85 -0.02 0.00 -0.02 0.00 0.00 41.12 37.80 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 -2.49 6.34 -0.17 -2.24 0.01 -1.26 -2.38 114.94 112.75 3jur s ASN 288 Ca 0.10 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 3jur s ASN 288 Cb -0.04 -1.95 0.03 0.00 0.41 0.00 0.00 41.25 39.70 3jur s ASN 288 CO 0.12 -0.10 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.29 3jur s LEU 289 N -3.78 1.81 -0.35 0.60 2.96 -0.06 -0.93 118.68 118.94 3jur s LEU 289 Ca 0.37 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3jur s LEU 289 Cb -0.10 -1.09 0.05 0.00 0.50 0.00 0.00 46.19 45.55 3jur s LEU 289 CO 0.31 -0.13 0.12 -0.69 -1.32 0.00 0.00 176.35 174.64 3jur s VAL 290 N 1.52 3.73 -0.38 1.68 1.01 0.46 -1.08 120.40 127.33 3jur s VAL 290 Ca 0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 3jur s VAL 290 Cb -0.15 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.17 3jur s VAL 290 CO -0.09 -0.24 0.15 -0.63 0.00 0.00 0.00 175.10 174.30 3jur s ILE 291 N 1.38 3.14 -0.29 2.22 1.01 -0.90 0.32 121.20 128.08 3jur s ILE 291 Ca -0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 60.65 58.68 3jur s ILE 291 Cb -0.20 -3.10 0.19 0.00 0.01 0.00 0.00 42.46 39.36 3jur s ILE 291 CO 0.02 -0.57 0.79 -0.55 0.00 0.00 0.00 174.94 174.63 3jur s SER 292 N 1.62 -1.10 0.35 3.58 0.15 -0.67 -4.38 113.70 113.25 3jur s SER 292 Ca 0.06 0.18 0.08 0.00 0.70 0.00 0.00 55.95 56.96 3jur s SER 292 Cb -0.22 1.72 0.65 0.00 -1.71 0.00 0.00 66.02 66.46 3jur s SER 292 CO -0.04 -0.20 1.84 -0.61 1.20 0.00 0.00 173.24 175.43 3jur h GLN 293 N 7.71 0.30 0.00 5.44 4.15 -1.77 -2.94 115.11 128.00 3jur h GLN 293 Ca -0.06 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.19 3jur h GLN 293 Cb 1.18 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 3jur h GLN 293 CO 0.05 0.48 -0.40 0.00 -1.93 0.00 0.00 178.83 177.03 3jur h ALA 294 N 1.53 0.97 -2.47 3.38 0.00 -1.84 -3.41 119.26 117.42 3jur h ALA 294 Ca 0.05 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 3jur h ALA 294 Cb 0.50 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.27 3jur h ALA 294 CO 0.03 0.50 1.00 0.45 0.00 0.00 0.00 179.25 181.23 3jur n SER 295 N -3.53 3.76 0.09 0.00 2.88 -0.95 -4.44 113.62 111.43 3jur n SER 295 Ca -0.00 1.04 0.13 0.00 -1.33 0.00 0.00 58.87 58.70 3jur n SER 295 Cb 0.53 -1.52 0.45 0.00 -0.75 0.00 0.00 64.21 62.93 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 4.52 0.73 0.00 0.66 8.25 -0.79 -1.02 115.22 127.57 3jur n HIS 296 Ca 0.17 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 3jur n HIS 296 Cb 0.34 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.58 3jur n HIS 296 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jur n GLY 297 N 1.12 1.49 0.24 -1.41 0.00 -1.26 -3.89 105.19 101.47 3jur n GLY 297 Ca 0.05 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.60 -5.75 -0.02 0.00 -0.92 0.49 103.07 96.27 3jur h GLY 298 Ca 0.00 0.22 -0.67 0.00 0.00 0.00 0.00 47.33 46.88 3jur h GLY 298 CO 0.00 -0.22 -0.83 -2.27 0.00 0.00 0.00 176.54 173.22 3jur s LEU 299 N -7.34 2.31 0.04 3.11 2.96 -0.01 -2.40 118.68 117.34 3jur s LEU 299 Ca -0.08 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.37 3jur s LEU 299 Cb 0.01 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 3jur s LEU 299 CO 0.25 0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.49 3jur s VAL 300 N 0.72 1.58 -0.11 1.68 1.01 0.47 -1.53 120.40 124.22 3jur s VAL 300 Ca -0.08 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.81 3jur s VAL 300 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3jur s VAL 300 CO 0.01 0.20 -0.23 -0.63 0.00 0.00 0.00 175.10 174.45 3jur s ILE 301 N -0.77 2.06 0.00 2.22 -1.09 0.13 -1.10 121.20 122.64 3jur s ILE 301 Ca 0.07 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 3jur s ILE 301 Cb -0.08 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 3jur s ILE 301 CO 0.01 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 3jur n GLY 302 N 3.65 -2.01 0.09 6.18 0.00 -0.27 -0.97 105.19 111.87 3jur n GLY 302 Ca -0.19 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.08 3jur n GLY 302 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jur n SER 303 N 0.24 0.75 -4.58 1.61 3.41 -1.25 -4.75 113.62 109.05 3jur n SER 303 Ca 0.00 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.70 3jur n SER 303 Cb 0.00 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 3jur n SER 303 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jur s GLU 304 N -3.10 3.81 -0.13 4.33 8.01 -1.26 -4.62 118.70 125.73 3jur s GLU 304 Ca 0.10 -1.80 0.16 0.00 0.01 0.00 0.00 54.97 53.44 3jur s GLU 304 Cb 0.13 -5.49 0.40 0.00 -4.31 0.00 0.00 34.13 24.86 3jur s GLU 304 CO 0.61 -2.39 1.19 0.00 0.01 0.00 0.00 175.26 174.68 3jur n MET 305 N 8.46 1.01 0.24 1.61 0.00 -1.07 0.28 117.12 127.64 3jur n MET 305 Ca 0.46 -2.76 0.16 0.00 0.00 0.00 0.00 57.70 55.56 3jur n MET 305 Cb 0.47 -1.06 0.60 0.00 0.00 0.00 0.00 33.22 33.23 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 0.89 0.00 0.41 3.17 0.02 -1.34 0.65 113.55 117.36 3jur h SER 306 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3jur h SER 306 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3jur h SER 306 CO 0.03 0.00 -0.10 0.61 -1.14 0.00 0.00 176.83 176.24 3jur n GLY 307 N 0.15 -1.03 0.00 -3.77 0.00 -0.25 -4.01 105.19 96.28 3jur n GLY 307 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.29 0.39 2.80 -0.02 0.00 0.22 -2.61 105.19 107.26 3jur n GLY 308 Ca 0.14 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.44 0.26 0.06 1.61 1.01 -0.02 -1.63 120.40 119.24 3jur s VAL 309 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 3jur s VAL 309 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3jur s VAL 309 CO 0.00 0.20 0.27 0.00 0.00 0.00 0.00 175.10 175.57 3jur s ARG 310 N 1.42 0.83 -0.97 2.72 1.70 -0.60 -1.76 118.95 122.29 3jur s ARG 310 Ca -0.04 -0.66 -0.05 0.00 -0.47 0.00 0.00 55.73 54.52 3jur s ARG 310 Cb -0.13 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 3jur s ARG 310 CO -0.03 -0.27 0.86 0.09 -1.08 0.00 0.00 175.30 174.87 3jur n ASN 311 N 0.35 -6.91 -4.19 -2.89 3.02 -0.73 -3.09 115.26 100.83 3jur n ASN 311 Ca -0.17 -0.56 -0.31 0.00 -0.03 0.00 0.00 54.58 53.51 3jur n ASN 311 Cb 0.61 -5.19 -0.17 0.00 -0.61 0.00 0.00 39.78 34.42 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 -3.29 1.92 -0.18 2.41 1.01 -0.85 -1.43 120.40 120.00 3jur s VAL 312 Ca 0.34 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3jur s VAL 312 Cb -0.05 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3jur s VAL 312 CO 0.75 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 175.53 3jur s VAL 313 N 0.41 1.80 -0.27 2.92 1.01 -0.46 -0.46 120.40 125.35 3jur s VAL 313 Ca -0.18 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 3jur s VAL 313 Cb -0.18 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.51 3jur s VAL 313 CO 0.08 0.40 0.01 0.00 0.00 0.00 0.00 175.10 175.59 3jur s ALA 314 N 1.37 2.87 -0.01 5.51 0.00 0.92 -0.65 121.76 131.77 3jur s ALA 314 Ca 0.03 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.55 3jur s ALA 314 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3jur s ALA 314 CO -0.11 -0.88 -0.12 0.50 0.00 0.00 0.00 175.76 175.16 3jur s ARG 315 N 1.40 1.01 -1.45 0.00 3.52 0.08 -0.67 118.95 122.84 3jur s ARG 315 Ca 0.01 -0.41 -0.11 0.00 -0.13 0.00 0.00 55.73 55.09 3jur s ARG 315 Cb -0.17 -0.96 0.05 0.00 -1.56 0.00 0.00 34.95 32.31 3jur s ARG 315 CO -0.01 0.22 1.08 0.09 -0.81 0.00 0.00 175.30 175.87 3jur n ASN 316 N 2.92 -5.54 -4.92 -2.12 4.13 -0.94 -2.70 115.26 106.10 3jur n ASN 316 Ca -0.15 -0.66 -0.28 0.00 1.68 0.00 0.00 54.58 55.16 3jur n ASN 316 Cb 0.55 -4.45 -0.04 0.00 -1.54 0.00 0.00 39.78 34.30 3jur n ASN 316 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3jur s ASN 317 N -3.33 6.26 -0.12 6.41 0.01 -1.26 -2.34 114.94 120.57 3jur s ASN 317 Ca 0.62 0.19 0.02 0.00 -0.71 0.00 0.00 52.86 52.98 3jur s ASN 317 Cb -0.29 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 3jur s ASN 317 CO 0.78 0.11 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.61 3jur s VAL 318 N -1.62 2.51 -0.11 1.60 1.01 -0.10 -1.64 120.40 122.04 3jur s VAL 318 Ca 0.34 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3jur s VAL 318 Cb -0.12 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3jur s VAL 318 CO 0.28 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.39 3jur s TYR 319 N 0.45 2.44 -0.08 5.22 2.02 0.53 -0.41 117.35 127.52 3jur s TYR 319 Ca -0.13 -1.11 0.02 0.00 -0.37 0.00 0.00 57.07 55.48 3jur s TYR 319 Cb -0.17 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3jur s TYR 319 CO 0.06 -0.49 -0.12 -1.64 -1.57 0.00 0.00 175.55 171.79 3jur s MET 320 N 0.63 1.74 0.00 -0.62 -1.94 0.15 -0.32 119.30 118.94 3jur s MET 320 Ca -0.12 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 3jur s MET 320 Cb -0.16 -1.51 0.00 0.00 2.01 0.00 0.00 34.83 35.17 3jur s MET 320 CO 0.03 -0.04 0.00 0.09 -0.01 0.00 0.00 175.02 175.09 3jur n ASN 321 N 4.07 0.00 -4.72 3.03 3.02 -0.12 -1.66 115.26 118.88 3jur n ASN 321 Ca -0.20 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.02 3jur n ASN 321 Cb 0.51 -0.59 0.11 0.00 -0.61 0.00 0.00 39.78 39.20 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 2.60 0.13 2.41 -7.23 -1.13 -3.91 120.40 110.17 3jur s VAL 322 Ca 0.00 0.23 -0.13 0.00 -1.81 0.00 0.00 61.98 60.28 3jur s VAL 322 Cb 0.00 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 3jur s VAL 322 CO 0.00 -0.22 1.53 -0.33 -0.31 0.00 0.00 175.10 175.77 3jur h GLU 323 N -0.98 0.84 -3.81 4.82 5.08 -1.31 -1.57 114.58 117.65 3jur h GLU 323 Ca -0.45 -0.34 -0.18 0.00 -1.00 0.00 0.00 59.36 57.39 3jur h GLU 323 Cb 1.26 -0.04 -0.23 0.00 0.50 0.00 0.00 28.75 30.25 3jur h GLU 323 CO 0.48 0.97 -0.65 1.03 -1.00 0.00 0.00 179.01 179.84 3jur s ARG 324 N -4.73 0.28 -0.14 2.33 0.52 -1.25 -0.86 118.95 115.10 3jur s ARG 324 Ca -0.12 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 3jur s ARG 324 Cb 0.11 0.11 -0.13 0.00 0.52 0.00 0.00 34.95 35.55 3jur s ARG 324 CO 0.83 -0.05 0.31 0.00 0.02 0.00 0.00 175.30 176.41 3jur h ALA 325 N 4.93 0.04 -3.43 2.13 0.00 -1.29 -0.56 119.26 121.08 3jur h ALA 325 Ca -0.30 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.63 3jur h ALA 325 Cb 1.21 0.19 -0.33 0.00 0.00 0.00 0.00 17.79 18.85 3jur h ALA 325 CO 0.43 0.18 -0.82 -1.17 0.00 0.00 0.00 179.25 177.87 3jur s LEU 326 N -8.27 1.68 -0.02 0.00 2.96 -0.55 -0.83 118.68 113.65 3jur s LEU 326 Ca -0.14 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3jur s LEU 326 Cb 0.00 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.84 3jur s LEU 326 CO 0.39 0.05 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.86 3jur s ARG 327 N 0.62 0.21 -0.12 1.98 3.52 -0.58 -0.65 118.95 123.93 3jur s ARG 327 Ca -0.15 0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 3jur s ARG 327 Cb -0.16 -0.34 -0.00 0.00 -1.56 0.00 0.00 34.95 32.89 3jur s ARG 327 CO 0.04 -0.08 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.74 3jur s LEU 328 N 0.67 2.27 -0.10 -0.88 1.02 0.25 -0.70 118.68 121.21 3jur s LEU 328 Ca -0.06 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.60 3jur s LEU 328 Cb -0.09 -1.48 0.01 0.00 0.02 0.00 0.00 46.19 44.65 3jur s LEU 328 CO -0.01 0.13 -0.16 -0.54 0.02 0.00 0.00 176.35 175.79 3jur s LYS 329 N 0.51 2.26 0.28 1.70 1.02 -0.14 -2.14 119.74 123.23 3jur s LYS 329 Ca -0.13 -0.59 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 3jur s LYS 329 Cb -0.17 -1.86 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 3jur s LYS 329 CO 0.05 -0.00 0.90 -0.08 -0.92 0.00 0.00 175.35 175.30 3jur s THR 330 N 0.81 0.00 0.37 2.17 -1.32 -1.06 -3.95 115.64 112.65 3jur s THR 330 Ca -0.10 -0.81 -0.10 0.00 -1.21 0.00 0.00 61.69 59.47 3jur s THR 330 Cb -0.16 -2.78 0.04 0.00 -1.51 0.00 0.00 72.50 68.10 3jur s THR 330 CO 0.01 0.00 0.66 -0.46 -2.21 0.00 0.00 174.62 172.63 3jur n ASN 331 N -1.22 -1.91 -0.11 8.08 0.23 -1.26 -1.21 115.26 117.87 3jur n ASN 331 Ca -0.06 -2.65 0.10 0.00 -0.53 0.00 0.00 54.58 51.44 3jur n ASN 331 Cb 0.60 3.28 0.54 0.00 -2.08 0.00 0.00 39.78 42.11 3jur n ASN 331 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3jur n SER 332 N -1.55 0.32 0.08 0.53 3.41 -1.26 -2.24 113.62 112.91 3jur n SER 332 Ca -0.05 -1.45 -0.00 0.00 -0.26 0.00 0.00 58.87 57.10 3jur n SER 332 Cb 0.57 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.43 0.00 0.00 4.33 3.08 -1.77 0.15 114.38 120.61 3jur h ARG 333 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3jur h ARG 333 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.17 3jur h ARG 333 CO 0.00 0.50 -1.04 0.00 -1.07 0.00 0.00 179.97 178.36 3jur h ARG 334 N 0.00 0.70 0.00 0.04 2.47 -1.59 -3.42 114.38 112.58 3jur h ARG 334 Ca -0.07 -0.76 0.00 0.00 -1.26 0.00 0.00 59.98 57.89 3jur h ARG 334 Cb 1.55 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 30.08 3jur h ARG 334 CO 0.07 1.33 0.00 0.41 0.56 0.00 0.00 179.97 182.34 3jur n GLY 335 N 1.10 0.98 7.00 0.04 0.00 -0.10 -4.36 105.19 109.85 3jur n GLY 335 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.25 3.43 -0.02 0.00 -1.26 -4.48 105.19 102.61 3jur n GLY 336 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.51 -0.11 1.61 -0.85 -1.25 -2.10 117.35 114.14 3jur s TYR 337 Ca 0.00 0.53 -0.01 0.00 -0.52 0.00 0.00 57.07 57.07 3jur s TYR 337 Cb 0.00 0.44 0.03 0.00 0.38 0.00 0.00 41.96 42.81 3jur s TYR 337 CO 0.00 -0.72 -0.03 -1.64 -1.52 0.00 0.00 175.55 171.64 3jur s MET 338 N -2.75 1.01 0.13 -3.49 -1.94 0.62 -0.85 119.30 112.04 3jur s MET 338 Ca -0.04 -0.14 -0.17 0.00 -1.71 0.00 0.00 55.69 53.64 3jur s MET 338 Cb -0.00 -1.41 0.04 0.00 2.01 0.00 0.00 34.83 35.46 3jur s MET 338 CO -0.04 -0.34 0.42 -1.83 -0.01 0.00 0.00 175.02 173.22 3jur s GLU 339 N 1.83 1.10 -1.18 2.03 -1.05 -0.72 -1.98 118.70 118.73 3jur s GLU 339 Ca 0.04 -0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 54.04 3jur s GLU 339 Cb -0.13 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 3jur s GLU 339 CO -0.07 -0.44 0.77 0.09 0.95 0.00 0.00 175.26 176.56 3jur n ASN 340 N -0.24 -4.37 -4.54 0.83 3.02 -0.39 -2.98 115.26 106.59 3jur n ASN 340 Ca -0.16 -0.93 -0.36 0.00 -0.03 0.00 0.00 54.58 53.11 3jur n ASN 340 Cb 0.64 -3.80 -0.11 0.00 -0.61 0.00 0.00 39.78 35.90 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 -3.53 4.59 -0.18 2.41 -1.09 -0.97 -1.77 121.20 120.67 3jur s ILE 341 Ca 0.35 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3jur s ILE 341 Cb -0.11 -3.11 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 3jur s ILE 341 CO 0.83 0.38 -0.19 -0.36 -1.23 0.00 0.00 174.94 174.38 3jur s PHE 342 N 1.08 2.78 -0.44 3.97 0.08 0.39 -0.57 117.98 125.27 3jur s PHE 342 Ca 0.04 -1.53 0.03 0.00 0.12 0.00 0.00 56.93 55.59 3jur s PHE 342 Cb -0.14 -1.92 0.12 0.00 -0.57 0.00 0.00 43.02 40.51 3jur s PHE 342 CO 0.03 -0.75 0.19 0.12 -0.10 0.00 0.00 175.22 174.71 3jur s PHE 343 N 1.23 2.97 -0.03 0.36 5.36 0.47 -0.05 117.98 128.29 3jur s PHE 343 Ca 0.03 -2.86 0.06 0.00 -0.96 0.00 0.00 56.93 53.20 3jur s PHE 343 Cb -0.13 -2.57 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 3jur s PHE 343 CO -0.10 -0.82 -0.21 0.42 -1.46 0.00 0.00 175.22 173.05 3jur s ILE 344 N 0.31 1.67 -1.46 3.12 -1.09 0.15 -1.85 121.20 122.06 3jur s ILE 344 Ca 0.15 -0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 57.59 3jur s ILE 344 Cb -0.23 -1.40 0.06 0.00 -1.58 0.00 0.00 42.46 39.30 3jur s ILE 344 CO -0.04 0.47 0.77 0.47 -1.23 0.00 0.00 174.94 175.38 3jur n ASP 345 N 2.78 -5.00 -4.97 3.58 8.00 -0.09 -2.21 116.55 118.64 3jur n ASP 345 Ca -0.16 -0.52 -0.21 0.00 0.71 0.00 0.00 54.79 54.60 3jur n ASP 345 Cb 0.53 -4.03 -0.01 0.00 -0.02 0.00 0.00 41.12 37.59 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 -2.99 6.15 -0.07 -2.24 0.01 -1.18 -2.54 114.94 112.08 3jur s ASN 346 Ca 0.50 0.08 0.02 0.00 -0.71 0.00 0.00 52.86 52.74 3jur s ASN 346 Cb -0.24 -1.65 0.02 0.00 0.41 0.00 0.00 41.25 39.78 3jur s ASN 346 CO 0.61 -0.30 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.11 3jur s VAL 347 N -2.17 1.01 -0.20 1.60 1.01 -0.65 -2.10 120.40 118.90 3jur s VAL 347 Ca 0.40 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3jur s VAL 347 Cb -0.09 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.39 3jur s VAL 347 CO 0.32 0.33 0.05 0.00 0.00 0.00 0.00 175.10 175.80 3jur s ALA 348 N 0.92 0.93 0.05 5.51 0.00 -0.48 -0.34 121.76 128.34 3jur s ALA 348 Ca -0.10 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.25 3jur s ALA 348 Cb -0.15 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3jur s ALA 348 CO 0.01 -1.21 -0.23 0.14 0.00 0.00 0.00 175.76 174.47 3jur s VAL 349 N 1.90 2.43 -1.36 0.00 -7.23 0.56 -1.24 120.40 115.46 3jur s VAL 349 Ca 0.00 -1.34 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 3jur s VAL 349 Cb -0.17 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.80 3jur s VAL 349 CO -0.10 0.33 0.98 0.59 -0.31 0.00 0.00 175.10 176.59 3jur n ASN 350 N 1.60 -3.81 -4.74 4.85 3.02 -0.94 -0.94 115.26 114.30 3jur n ASN 350 Ca -0.17 -0.68 -0.41 0.00 -0.03 0.00 0.00 54.58 53.29 3jur n ASN 350 Cb 0.52 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.12 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 -3.41 3.56 -0.14 2.41 1.01 -0.82 -3.37 120.40 119.64 3jur s VAL 351 Ca 0.34 1.29 0.15 0.00 0.00 0.00 0.00 61.98 63.76 3jur s VAL 351 Cb -0.16 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.15 3jur s VAL 351 CO 0.77 0.20 0.30 -1.54 0.00 0.00 0.00 175.10 174.83 3jur n SER 352 N 2.61 0.42 0.00 3.32 3.41 -0.59 -0.63 113.62 122.16 3jur n SER 352 Ca 0.05 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3jur n SER 352 Cb 0.45 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 -2.89 0.00 -4.78 4.33 -0.58 -0.04 -3.67 120.64 113.01 3jur n GLU 353 Ca -0.27 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.21 3jur n GLU 353 Cb 1.11 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.82 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 1.70 -0.00 3.49 8.01 -0.94 0.12 118.70 131.08 3jur s GLU 354 Ca 0.00 -0.57 -0.25 0.00 0.01 0.00 0.00 54.97 54.16 3jur s GLU 354 Cb 0.00 -1.48 -0.19 0.00 -4.31 0.00 0.00 34.13 28.15 3jur s GLU 354 CO 0.00 0.21 1.35 0.28 0.01 0.00 0.00 175.26 177.11 3jur h VAL 355 N 5.32 1.28 -3.20 2.63 2.07 -1.32 -3.23 116.25 119.80 3jur h VAL 355 Ca -0.32 -0.91 -0.62 0.00 0.82 0.00 0.00 66.70 65.66 3jur h VAL 355 Cb 1.18 1.89 -0.35 0.00 -1.52 0.00 0.00 31.29 32.49 3jur h VAL 355 CO 0.48 0.23 -0.85 -0.63 0.02 0.00 0.00 177.57 176.83 3jur s ILE 356 N -4.61 1.72 -0.06 4.57 1.01 -0.45 -1.48 121.20 121.90 3jur s ILE 356 Ca -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3jur s ILE 356 Cb 0.02 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3jur s ILE 356 CO 0.66 0.48 -0.12 -0.60 0.00 0.00 0.00 174.94 175.37 3jur s ARG 357 N 1.06 1.56 -0.04 2.79 6.06 0.18 -0.83 118.95 129.74 3jur s ARG 357 Ca -0.03 -0.39 0.01 0.00 -2.50 0.00 0.00 55.73 52.82 3jur s ARG 357 Cb -0.14 -1.32 0.02 0.00 0.06 0.00 0.00 34.95 33.57 3jur s ARG 357 CO -0.04 0.04 -0.03 0.42 -2.50 0.00 0.00 175.30 173.18 3jur s ILE 358 N 0.61 0.40 -0.13 4.11 1.01 -0.15 -0.59 121.20 126.46 3jur s ILE 358 Ca -0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 3jur s ILE 358 Cb -0.15 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 41.91 3jur s ILE 358 CO 0.03 0.19 0.33 0.21 0.00 0.00 0.00 174.94 175.71 3jur s ASN 359 N 0.91 -0.37 -0.16 3.58 3.84 -0.91 -0.54 114.94 121.28 3jur s ASN 359 Ca -0.11 0.69 0.16 0.00 0.21 0.00 0.00 52.86 53.81 3jur s ASN 359 Cb -0.14 0.64 0.54 0.00 -0.55 0.00 0.00 41.25 41.75 3jur s ASN 359 CO -0.00 -0.15 1.45 0.18 -2.79 0.00 0.00 177.10 175.79 3jur n LEU 360 N 3.55 4.01 -1.36 3.21 4.32 -1.07 -2.57 117.00 127.10 3jur n LEU 360 Ca -0.18 -2.89 -0.05 0.00 -0.02 0.00 0.00 56.01 52.87 3jur n LEU 360 Cb 0.56 -0.53 0.11 0.00 -1.62 0.00 0.00 43.42 41.94 3jur n LEU 360 CO 0.13 0.68 0.23 0.54 -1.22 0.00 0.00 177.39 177.76 3jur n ARG 361 N -0.23 2.09 -1.61 3.23 1.74 -1.10 -3.99 116.66 116.79 3jur n ARG 361 Ca 0.21 -3.46 -0.50 0.00 -0.77 0.00 0.00 57.85 53.33 3jur n ARG 361 Cb 0.88 -1.65 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.75 1.68 -1.74 -1.55 9.36 -0.35 -1.82 117.16 121.98 3jur n TYR 362 Ca 0.25 0.56 -0.21 0.00 3.32 0.00 0.00 57.90 61.81 3jur n TYR 362 Cb 0.85 -2.38 -0.08 0.00 -0.63 0.00 0.00 39.34 37.10 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 2.67 -5.60 -3.36 2.98 9.92 -1.26 -2.97 116.55 118.93 3jur n ASP 363 Ca 0.18 0.43 -0.24 0.00 -0.53 0.00 0.00 54.79 54.62 3jur n ASP 363 Cb 0.22 -4.89 0.04 0.00 -0.64 0.00 0.00 41.12 35.85 3jur n ASP 363 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3jur n ASN 364 N -1.49 -5.71 -4.57 -2.24 5.15 -0.76 -4.97 115.26 100.67 3jur n ASN 364 Ca -0.22 -0.44 -0.30 0.00 -0.60 0.00 0.00 54.58 53.02 3jur n ASN 364 Cb 0.69 -4.58 -0.10 0.00 -0.53 0.00 0.00 39.78 35.26 3jur n ASN 364 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3jur s GLU 365 N -6.05 2.18 0.04 1.20 2.02 -1.16 -5.14 118.70 111.79 3jur s GLU 365 Ca 0.45 -0.99 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 3jur s GLU 365 Cb -0.21 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 3jur s GLU 365 CO 0.56 0.52 -0.03 -1.21 0.02 0.00 0.00 175.26 175.12 3jur s GLU 366 N -2.07 0.53 0.00 1.61 2.02 -1.26 -4.34 118.70 115.19 3jur s GLU 366 Ca 0.21 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.14 3jur s GLU 366 Cb -0.11 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.31 3jur s GLU 366 CO 0.13 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.72 3jur n GLY 367 N 0.50 2.80 1.08 -1.39 0.00 -1.11 -4.43 105.19 102.64 3jur n GLY 367 Ca -0.17 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 3jur n GLY 367 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3jur n GLU 368 N 0.00 1.91 -3.70 1.61 0.28 -1.04 -4.65 120.64 115.05 3jur n GLU 368 Ca 0.00 -3.32 -0.28 0.00 -0.16 0.00 0.00 57.16 53.40 3jur n GLU 368 Cb 0.00 -1.80 -0.12 0.00 1.43 0.00 0.00 31.44 30.95 3jur n GLU 368 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3jur s TYR 369 N -3.29 2.39 0.08 -1.84 2.02 0.51 -5.03 117.35 112.19 3jur s TYR 369 Ca 0.43 -2.79 -0.31 0.00 -0.37 0.00 0.00 57.07 54.04 3jur s TYR 369 Cb 0.40 -1.95 -0.08 0.00 -0.40 0.00 0.00 41.96 39.93 3jur s TYR 369 CO -0.02 -0.70 1.59 -0.51 -1.57 0.00 0.00 175.55 174.33 3jur s LEU 370 N -0.49 4.36 0.33 -1.29 1.43 -1.26 -0.92 118.68 120.84 3jur s LEU 370 Ca 0.25 2.46 -0.22 0.00 -1.03 0.00 0.00 54.13 55.59 3jur s LEU 370 Cb -0.08 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 3jur s LEU 370 CO -0.13 -0.84 0.88 -2.16 0.23 0.00 0.00 176.35 174.34 3jur s PRO 371 N 2.19 4.36 -0.34 1.29 0.04 -1.26 -4.63 135.00 136.64 3jur s PRO 371 Ca 0.71 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 3jur s PRO 371 Cb -0.39 -2.60 -0.00 0.00 0.04 0.00 0.00 34.50 31.54 3jur s PRO 371 CO 0.31 0.20 0.61 0.08 0.04 0.00 0.00 177.00 178.25 3jur s VAL 372 N -1.80 4.92 -0.24 -0.36 1.01 -0.89 -5.00 120.40 118.05 3jur s VAL 372 Ca 0.52 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3jur s VAL 372 Cb -0.15 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.25 3jur s VAL 372 CO 0.20 -0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.27 3jur s VAL 373 N 2.63 1.82 0.18 2.92 1.01 -1.26 -0.28 120.40 127.42 3jur s VAL 373 Ca 0.24 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 3jur s VAL 373 Cb -0.15 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.28 3jur s VAL 373 CO 0.14 -0.05 0.54 0.00 0.00 0.00 0.00 175.10 175.73 3jur s ARG 374 N 1.27 1.33 -0.97 2.72 1.70 -0.84 -1.49 118.95 122.67 3jur s ARG 374 Ca -0.07 -0.74 -0.05 0.00 -0.47 0.00 0.00 55.73 54.40 3jur s ARG 374 Cb -0.19 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 3jur s ARG 374 CO -0.06 -0.57 0.86 0.43 -1.08 0.00 0.00 175.30 174.88 3jur n SER 375 N -0.34 -6.61 -4.41 -2.89 7.64 -0.55 -3.59 113.62 102.88 3jur n SER 375 Ca -0.12 -0.60 -0.33 0.00 1.01 0.00 0.00 58.87 58.82 3jur n SER 375 Cb 0.63 -5.04 -0.14 0.00 -1.01 0.00 0.00 64.21 58.66 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 -3.33 3.39 -0.20 0.44 1.01 -1.03 -1.26 120.40 119.41 3jur s VAL 376 Ca 0.39 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3jur s VAL 376 Cb -0.05 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.91 3jur s VAL 376 CO 0.71 0.50 -0.12 -0.36 0.00 0.00 0.00 175.10 175.83 3jur s PHE 377 N 0.51 2.57 -0.25 5.22 0.08 0.26 -1.46 117.98 124.92 3jur s PHE 377 Ca -0.06 -1.68 -0.07 0.00 0.12 0.00 0.00 56.93 55.24 3jur s PHE 377 Cb -0.15 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 3jur s PHE 377 CO 0.03 -0.77 0.06 0.08 -0.10 0.00 0.00 175.22 174.52 3jur s VAL 378 N 1.34 4.18 -0.03 -0.44 1.01 0.25 -0.39 120.40 126.33 3jur s VAL 378 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3jur s VAL 378 Cb -0.16 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3jur s VAL 378 CO -0.09 0.34 -0.01 -0.75 0.00 0.00 0.00 175.10 174.59 3jur s LYS 379 N 1.59 0.37 -1.27 2.72 2.47 -0.77 -0.13 119.74 124.73 3jur s LYS 379 Ca 0.06 0.04 -0.03 0.00 -1.56 0.00 0.00 55.97 54.47 3jur s LYS 379 Cb -0.15 -0.51 0.01 0.00 -1.46 0.00 0.00 37.83 35.72 3jur s LYS 379 CO 0.03 -0.11 1.05 -1.71 0.16 0.00 0.00 175.35 174.77 3jur n ASN 380 N 4.03 -3.58 -4.73 1.43 5.15 -0.47 -0.92 115.26 116.16 3jur n ASN 380 Ca -0.26 -0.60 -0.39 0.00 -0.60 0.00 0.00 54.58 52.73 3jur n ASN 380 Cb 0.51 -5.03 -0.05 0.00 -0.53 0.00 0.00 39.78 34.67 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 -6.73 4.32 -0.18 1.20 2.96 -1.25 -3.02 118.68 115.97 3jur s LEU 381 Ca 0.22 1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 3jur s LEU 381 Cb -0.10 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 3jur s LEU 381 CO 0.74 -0.01 -0.05 -0.54 -1.32 0.00 0.00 176.35 175.16 3jur s LYS 382 N 0.50 3.50 0.02 1.98 -0.14 -0.89 -1.21 119.74 123.50 3jur s LYS 382 Ca 0.31 -0.59 -0.07 0.00 -1.36 0.00 0.00 55.97 54.26 3jur s LYS 382 Cb -0.17 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.06 3jur s LYS 382 CO 0.14 0.04 0.13 0.00 -0.76 0.00 0.00 175.35 174.90 3jur s ALA 383 N 0.86 -0.21 0.04 5.17 0.00 0.07 -1.38 121.76 126.31 3jur s ALA 383 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3jur s ALA 383 Cb -0.15 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3jur s ALA 383 CO 0.01 -0.28 -0.10 0.95 0.00 0.00 0.00 175.76 176.34 3jur s THR 384 N -2.12 0.73 0.00 0.00 -4.23 -0.38 -1.15 115.64 108.50 3jur s THR 384 Ca -0.09 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3jur s THR 384 Cb -0.04 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.07 3jur s THR 384 CO -0.02 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3jur n GLY 385 N 1.69 -1.00 0.00 3.99 0.00 0.68 -1.94 105.19 108.61 3jur n GLY 385 Ca -0.20 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.13 3.55 0.10 -0.02 0.00 0.19 -4.15 105.19 103.72 3jur n GLY 386 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 0.15 -5.39 1.61 1.57 -0.40 -2.02 116.57 112.10 3jur h LYS 387 Ca 0.00 -0.22 -0.51 0.00 -1.87 0.00 0.00 60.65 58.06 3jur h LYS 387 Cb 0.00 0.07 -0.29 0.00 0.08 0.00 0.00 32.23 32.09 3jur h LYS 387 CO 0.00 1.04 -0.82 0.71 -0.57 0.00 0.00 179.45 179.81 3jur s TYR 388 N -2.89 1.37 -0.08 -1.35 2.02 -0.49 -1.45 117.35 114.48 3jur s TYR 388 Ca -0.02 -0.27 -0.19 0.00 -0.37 0.00 0.00 57.07 56.22 3jur s TYR 388 Cb 0.09 -0.88 -0.15 0.00 -0.40 0.00 0.00 41.96 40.62 3jur s TYR 388 CO 0.84 -0.03 0.71 0.00 -1.57 0.00 0.00 175.55 175.50 3jur h ALA 389 N 5.80 -0.14 -3.23 3.71 0.00 -0.71 -1.97 119.26 122.73 3jur h ALA 389 Ca -0.35 -0.24 -0.49 0.00 0.00 0.00 0.00 54.91 53.82 3jur h ALA 389 Cb 1.16 0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.63 3jur h ALA 389 CO 0.49 -0.19 -0.79 0.08 0.00 0.00 0.00 179.25 178.83 3jur s VAL 390 N -2.88 0.81 -0.23 0.00 1.01 -0.44 -1.34 120.40 117.33 3jur s VAL 390 Ca -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3jur s VAL 390 Cb -0.00 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.58 3jur s VAL 390 CO 0.44 0.33 0.04 -0.60 0.00 0.00 0.00 175.10 175.31 3jur s ARG 391 N 1.69 0.75 -0.18 2.72 3.52 -0.01 -0.68 118.95 126.76 3jur s ARG 391 Ca 0.03 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 3jur s ARG 391 Cb -0.13 -2.10 0.05 0.00 -1.56 0.00 0.00 34.95 31.21 3jur s ARG 391 CO -0.06 -0.73 -0.03 0.42 -0.81 0.00 0.00 175.30 174.09 3jur s ILE 392 N 1.76 0.99 -0.13 4.11 1.01 0.11 -0.98 121.20 128.08 3jur s ILE 392 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.01 3jur s ILE 392 Cb -0.17 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.05 3jur s ILE 392 CO -0.13 0.01 -0.17 -1.61 0.00 0.00 0.00 174.94 173.04 3jur s GLU 393 N 1.67 2.45 0.00 2.79 8.01 0.30 -0.27 118.70 133.65 3jur s GLU 393 Ca -0.01 -0.64 0.00 0.00 0.01 0.00 0.00 54.97 54.34 3jur s GLU 393 Cb -0.16 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.57 3jur s GLU 393 CO -0.07 -0.09 0.00 0.41 0.01 0.00 0.00 175.26 175.51 3jur n GLY 394 N 4.31 3.15 3.37 -1.39 0.00 0.21 -2.59 105.19 112.25 3jur n GLY 394 Ca -0.19 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 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 2.38 0.36 0.99 1.43 -0.01 -4.73 118.68 119.10 3jur s LEU 395 Ca 0.00 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.39 3jur s LEU 395 Cb 0.00 -1.05 0.82 0.00 0.03 0.00 0.00 46.19 45.99 3jur s LEU 395 CO 0.00 0.09 1.87 -0.33 0.23 0.00 0.00 176.35 178.21 3jur h GLU 396 N 3.54 0.67 -0.65 1.70 5.08 -1.94 -0.71 114.58 122.27 3jur h GLU 396 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3jur h GLU 396 Cb 1.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3jur h GLU 396 CO 0.45 0.44 0.00 0.27 -1.00 0.00 0.00 179.01 179.17 3jur n ASN 397 N -4.56 5.01 -2.75 1.42 6.94 -1.26 -4.72 115.26 115.35 3jur n ASN 397 Ca 0.17 -2.55 -0.03 0.00 -0.02 0.00 0.00 54.58 52.15 3jur n ASN 397 Cb 0.47 -0.61 0.02 0.00 -2.36 0.00 0.00 39.78 37.30 3jur n ASN 397 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3jur s ASP 398 N -0.87 -1.01 0.50 0.53 2.15 -0.29 -5.10 116.67 112.59 3jur s ASP 398 Ca 0.52 -1.16 -0.22 0.00 0.43 0.00 0.00 52.55 52.12 3jur s ASP 398 Cb 0.35 1.32 -0.06 0.00 -0.30 0.00 0.00 42.92 44.22 3jur s ASP 398 CO 0.23 -0.04 1.21 -0.31 -0.17 0.00 0.00 175.17 176.09 3jur s TYR 399 N 0.97 2.68 0.08 -5.34 1.51 -1.14 -0.83 117.35 115.30 3jur s TYR 399 Ca 0.27 1.50 -0.31 0.00 -1.01 0.00 0.00 57.07 57.52 3jur s TYR 399 Cb 0.05 -3.48 -0.06 0.00 -0.11 0.00 0.00 41.96 38.35 3jur s TYR 399 CO -0.07 -1.90 1.26 0.08 -1.11 0.00 0.00 175.55 173.80 3jur s VAL 400 N -1.50 3.79 0.11 0.71 1.01 -0.94 -4.73 120.40 118.85 3jur s VAL 400 Ca 0.67 1.29 0.10 0.00 0.00 0.00 0.00 61.98 64.05 3jur s VAL 400 Cb -0.31 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3jur s VAL 400 CO 0.37 0.11 -0.26 -0.54 0.00 0.00 0.00 175.10 174.78 3jur s LYS 401 N 1.02 1.42 -1.17 2.72 1.02 -0.55 -0.26 119.74 123.93 3jur s LYS 401 Ca 0.60 -1.29 -0.13 0.00 0.02 0.00 0.00 55.97 55.18 3jur s LYS 401 Cb -0.32 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3jur s LYS 401 CO 0.30 0.44 0.78 -3.47 -0.92 0.00 0.00 175.35 172.48 3jur n ASP 402 N 1.07 -4.44 -4.68 2.83 4.64 -1.25 -1.97 116.55 112.75 3jur n ASP 402 Ca -0.18 -0.92 -0.36 0.00 -1.38 0.00 0.00 54.79 51.96 3jur n ASP 402 Cb 0.53 -3.86 -0.09 0.00 -1.04 0.00 0.00 41.12 36.66 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 -3.52 5.33 -0.09 5.18 -1.09 -1.13 -1.48 121.20 124.40 3jur s ILE 403 Ca 0.35 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.94 3jur s ILE 403 Cb -0.10 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 3jur s ILE 403 CO 0.83 0.39 -0.10 -0.22 -1.23 0.00 0.00 174.94 174.61 3jur s LEU 404 N 0.75 1.43 -0.14 2.97 2.96 -0.53 -0.39 118.68 125.73 3jur s LEU 404 Ca 0.07 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3jur s LEU 404 Cb -0.12 -0.82 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 3jur s LEU 404 CO 0.02 -0.04 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.22 3jur s ILE 405 N 1.14 2.65 -0.00 6.68 1.01 -0.15 -0.58 121.20 131.96 3jur s ILE 405 Ca -0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 3jur s ILE 405 Cb -0.14 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3jur s ILE 405 CO -0.02 0.52 0.10 -0.94 0.00 0.00 0.00 174.94 174.61 3jur s SER 406 N 0.67 0.05 -1.38 3.58 1.04 0.82 -1.26 113.70 117.23 3jur s SER 406 Ca -0.08 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.10 3jur s SER 406 Cb -0.16 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.18 3jur s SER 406 CO 0.02 -0.31 0.82 0.47 0.98 0.00 0.00 173.24 175.22 3jur n ASP 407 N 1.69 -2.58 -4.15 7.02 8.00 -0.42 -1.37 116.55 124.73 3jur n ASP 407 Ca -0.22 -0.79 -0.23 0.00 0.71 0.00 0.00 54.79 54.27 3jur n ASP 407 Cb 0.56 -4.09 -0.15 0.00 -0.02 0.00 0.00 41.12 37.42 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 -3.53 1.26 -0.13 -3.53 2.01 -0.95 -2.86 115.64 107.91 3jur s THR 408 Ca 0.24 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 3jur s THR 408 Cb -0.12 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.35 3jur s THR 408 CO 0.81 0.28 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.29 3jur s ILE 409 N -0.49 1.26 -0.19 1.82 1.01 -0.35 -0.94 121.20 123.32 3jur s ILE 409 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3jur s ILE 409 Cb -0.07 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.19 3jur s ILE 409 CO -0.00 0.38 -0.14 -0.63 0.00 0.00 0.00 174.94 174.56 3jur s ILE 410 N 1.61 1.80 -0.05 2.92 1.01 -0.11 -0.75 121.20 127.63 3jur s ILE 410 Ca 0.05 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3jur s ILE 410 Cb -0.13 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3jur s ILE 410 CO -0.09 0.29 -0.12 -1.61 0.00 0.00 0.00 174.94 173.41 3jur s GLU 411 N 1.35 2.57 0.00 2.79 2.02 -0.30 -2.88 118.70 124.25 3jur s GLU 411 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3jur s GLU 411 Cb -0.15 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.63 3jur s GLU 411 CO -0.09 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3jur n GLY 412 N 2.27 0.62 3.75 -1.39 0.00 -1.26 -0.23 105.19 108.95 3jur n GLY 412 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.51 3.34 0.01 4.61 0.00 -1.26 -4.18 121.76 121.76 3jur s ALA 413 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 3jur s ALA 413 Cb 0.00 -3.20 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 3jur s ALA 413 CO 0.00 0.19 1.31 0.87 0.00 0.00 0.00 175.76 178.13 3jur h LYS 414 N 4.28 0.15 -5.27 0.00 1.57 -1.42 -3.42 116.57 112.46 3jur h LYS 414 Ca -0.45 -0.08 -0.63 0.00 -1.87 0.00 0.00 60.65 57.62 3jur h LYS 414 Cb 1.20 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.30 3jur h LYS 414 CO 0.68 0.58 -0.65 0.42 -0.57 0.00 0.00 179.45 179.92 3jur s ILE 415 N -4.32 4.04 -0.08 1.86 1.01 -0.53 -4.87 121.20 118.32 3jur s ILE 415 Ca -0.15 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 3jur s ILE 415 Cb 0.03 -2.79 -0.20 0.00 0.01 0.00 0.00 42.46 39.51 3jur s ILE 415 CO 0.71 0.48 0.87 0.28 0.00 0.00 0.00 174.94 177.28 3jur h SER 416 N 6.83 -0.05 -3.42 3.58 0.02 -1.21 0.18 113.55 119.48 3jur h SER 416 Ca -0.33 -0.62 -0.37 0.00 -0.84 0.00 0.00 61.79 59.63 3jur h SER 416 Cb 1.18 0.01 -0.36 0.00 0.14 0.00 0.00 62.40 63.38 3jur h SER 416 CO 0.64 0.66 -0.75 -0.69 -1.14 0.00 0.00 176.83 175.55 3jur s VAL 417 N -3.02 0.20 -0.22 2.27 1.01 -0.81 -1.33 120.40 118.50 3jur s VAL 417 Ca -0.15 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3jur s VAL 417 Cb -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3jur s VAL 417 CO 0.58 0.18 -0.11 -0.22 0.00 0.00 0.00 175.10 175.53 3jur s LEU 418 N 1.37 2.79 -0.10 3.92 0.20 0.14 -0.55 118.68 126.45 3jur s LEU 418 Ca -0.05 -0.75 0.03 0.00 0.69 0.00 0.00 54.13 54.05 3jur s LEU 418 Cb -0.13 -1.60 0.01 0.00 -0.43 0.00 0.00 46.19 44.03 3jur s LEU 418 CO -0.02 -0.07 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.54 3jur s LEU 419 N 1.32 1.96 -0.21 -0.68 2.96 0.78 -0.71 118.68 124.10 3jur s LEU 419 Ca 0.02 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3jur s LEU 419 Cb -0.15 -1.25 0.07 0.00 0.50 0.00 0.00 46.19 45.36 3jur s LEU 419 CO -0.07 0.11 0.09 -0.70 -1.32 0.00 0.00 176.35 174.45 3jur s GLU 420 N 0.53 0.24 -0.95 1.98 2.12 0.63 -0.46 118.70 122.79 3jur s GLU 420 Ca -0.16 -0.30 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 3jur s GLU 420 Cb -0.17 -1.75 -0.06 0.00 0.26 0.00 0.00 34.13 32.41 3jur s GLU 420 CO 0.06 -0.76 0.84 1.19 -0.54 0.00 0.00 175.26 176.05 3jur n PHE 421 N 5.20 -2.42 -3.89 5.30 3.72 -0.23 0.67 117.46 125.81 3jur n PHE 421 Ca -0.07 0.86 -0.08 0.00 -0.05 0.00 0.00 57.45 58.11 3jur n PHE 421 Cb 0.47 -4.04 -0.03 0.00 -0.94 0.00 0.00 39.48 34.94 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 -3.30 0.11 -0.18 1.37 0.00 -1.16 -2.21 107.32 101.94 3jur s GLY 422 Ca 0.37 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 3jur s GLY 422 CO 0.70 -0.28 -0.13 1.20 0.00 0.00 0.00 173.10 174.60 3jur s GLN 423 N -3.94 3.21 -0.07 2.90 -0.21 0.65 -1.84 119.66 120.35 3jur s GLN 423 Ca 0.14 -0.73 0.03 0.00 0.02 0.00 0.00 55.36 54.82 3jur s GLN 423 Cb -0.04 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.25 3jur s GLN 423 CO 0.06 -0.10 -0.15 -1.17 -2.12 0.00 0.00 175.29 171.81 3jur s LEU 424 N 1.13 1.77 -0.07 2.90 2.96 0.77 -2.84 118.68 125.30 3jur s LEU 424 Ca 0.01 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3jur s LEU 424 Cb -0.14 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 3jur s LEU 424 CO -0.04 0.07 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.07 3jur s GLY 425 N 0.57 1.50 -0.04 7.98 0.00 0.47 -0.40 107.32 117.40 3jur s GLY 425 Ca -0.16 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3jur s GLY 425 CO 0.05 -0.64 -0.07 1.06 0.00 0.00 0.00 173.10 173.51 3jur s MET 426 N -0.43 1.00 -0.08 2.90 -1.94 0.46 -0.98 119.30 120.23 3jur s MET 426 Ca 0.05 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.82 3jur s MET 426 Cb -0.12 -0.93 0.02 0.00 2.01 0.00 0.00 34.83 35.81 3jur s MET 426 CO 0.02 -0.01 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.74 3jur s GLU 427 N 0.65 1.32 -1.12 2.03 2.02 -0.39 -0.01 118.70 123.20 3jur s GLU 427 Ca -0.10 -0.22 -0.10 0.00 0.02 0.00 0.00 54.97 54.57 3jur s GLU 427 Cb -0.13 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 3jur s GLU 427 CO 0.01 -0.17 0.85 -1.71 0.02 0.00 0.00 175.26 174.26 3jur n ASN 428 N 4.55 -5.29 -4.30 -0.19 5.15 -0.58 -1.30 115.26 113.29 3jur n ASN 428 Ca -0.16 -0.83 -0.31 0.00 -0.60 0.00 0.00 54.58 52.67 3jur n ASN 428 Cb 0.51 -4.42 -0.16 0.00 -0.53 0.00 0.00 39.78 35.18 3jur n ASN 428 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3jur s VAL 429 N -3.45 2.15 -0.11 3.44 1.01 -0.25 -2.08 120.40 121.10 3jur s VAL 429 Ca 0.39 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3jur s VAL 429 Cb -0.09 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 3jur s VAL 429 CO 0.79 0.58 -0.21 -0.63 0.00 0.00 0.00 175.10 175.63 3jur s ILE 430 N -0.40 2.32 -0.24 2.22 1.01 -0.12 -0.42 121.20 125.56 3jur s ILE 430 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 3jur s ILE 430 Cb -0.12 -1.92 0.08 0.00 0.01 0.00 0.00 42.46 40.51 3jur s ILE 430 CO 0.01 0.55 0.06 -0.04 0.00 0.00 0.00 174.94 175.52 3jur s MET 431 N 0.40 0.68 3.49 2.79 -1.94 -0.00 -0.93 119.30 123.79 3jur s MET 431 Ca -0.16 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 3jur s MET 431 Cb -0.17 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.66 3jur s MET 431 CO 0.07 -0.79 0.00 0.09 -0.01 0.00 0.00 175.02 174.38 3jur n ASN 432 N 4.98 0.00 -0.45 3.03 3.02 -1.14 -0.92 115.26 123.77 3jur n ASN 432 Ca -0.06 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.57 3jur n ASN 432 Cb 0.45 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.00 0.09 3.68 7.41 0.00 -1.26 -4.83 105.19 110.28 3jur n GLY 433 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.36 5.58 -0.07 1.61 0.01 -0.10 -5.11 113.70 114.27 3jur s SER 434 Ca 0.26 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.70 3jur s SER 434 Cb 0.14 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.56 3jur s SER 434 CO 0.20 0.27 -0.13 -0.13 0.41 0.00 0.00 173.24 173.87 3jur s ARG 435 N -0.24 1.78 -0.34 12.44 0.52 -1.26 -0.82 118.95 131.02 3jur s ARG 435 Ca 0.08 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 3jur s ARG 435 Cb -0.12 -1.46 0.09 0.00 0.52 0.00 0.00 34.95 33.99 3jur s ARG 435 CO 0.02 0.04 0.06 -0.06 0.02 0.00 0.00 175.30 175.37 3jur s PHE 436 N 0.64 3.63 0.04 -0.53 0.08 0.43 -4.94 117.98 117.34 3jur s PHE 436 Ca -0.15 -2.71 -0.23 0.00 0.12 0.00 0.00 56.93 53.96 3jur s PHE 436 Cb -0.16 -2.81 -0.16 0.00 -0.57 0.00 0.00 43.02 39.33 3jur s PHE 436 CO 0.04 -0.94 1.51 1.49 -0.10 0.00 0.00 175.22 177.23 3jur h GLU 437 N 7.76 0.09 -2.19 0.44 4.81 -1.87 -0.36 114.58 123.24 3jur h GLU 437 Ca -0.09 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3jur h GLU 437 Cb 1.03 -0.01 -0.28 0.00 0.63 0.00 0.00 28.75 30.12 3jur h GLU 437 CO 0.55 0.31 -0.41 0.21 -0.73 0.00 0.00 179.01 178.94 3jur s LYS 438 N -5.20 0.34 -0.04 1.92 2.20 -1.26 -1.56 119.74 116.14 3jur s LYS 438 Ca -0.14 0.84 0.06 0.00 -0.36 0.00 0.00 55.97 56.36 3jur s LYS 438 Cb 0.05 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 3jur s LYS 438 CO 0.68 -0.43 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.85 3jur s LEU 439 N 2.60 2.02 -0.05 5.43 0.20 0.98 -4.99 118.68 124.88 3jur s LEU 439 Ca 0.05 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.43 3jur s LEU 439 Cb -0.14 -1.22 0.02 0.00 -0.43 0.00 0.00 46.19 44.43 3jur s LEU 439 CO -0.14 0.23 -0.02 -0.47 -0.29 0.00 0.00 176.35 175.66 3jur s TYR 440 N -0.21 0.57 -0.02 5.38 5.04 -1.26 -0.40 117.35 126.45 3jur s TYR 440 Ca -0.01 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 3jur s TYR 440 Cb -0.12 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.59 3jur s TYR 440 CO 0.02 -0.20 -0.09 0.42 -1.34 0.00 0.00 175.55 174.36 3jur s ILE 441 N 1.21 0.74 -0.10 3.14 1.01 0.47 -5.00 121.20 122.66 3jur s ILE 441 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3jur s ILE 441 Cb -0.14 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.70 3jur s ILE 441 CO -0.02 0.23 -0.10 -0.70 0.00 0.00 0.00 174.94 174.36 3jur s GLU 442 N 0.16 1.65 0.00 2.79 2.12 -1.26 -0.16 118.70 124.00 3jur s GLU 442 Ca -0.02 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.97 3jur s GLU 442 Cb -0.08 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.73 3jur s GLU 442 CO 0.00 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 3jur n GLY 443 N 4.58 0.42 3.24 -1.50 0.00 -0.76 -5.00 105.19 106.16 3jur n GLY 443 Ca -0.16 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 1.59 -0.12 1.61 1.02 -1.26 -1.06 119.74 121.52 3jur s LYS 444 Ca 0.00 -0.84 -0.18 0.00 0.02 0.00 0.00 55.97 54.97 3jur s LYS 444 Cb 0.00 -1.61 0.04 0.00 -0.52 0.00 0.00 37.83 35.75 3jur s LYS 444 CO 0.00 0.43 0.47 0.00 -0.92 0.00 0.00 175.35 175.32 3jur s ALA 445 N -0.62 -1.17 -0.09 5.17 0.00 0.39 -4.97 121.76 120.47 3jur s ALA 445 Ca 0.08 1.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 3jur s ALA 445 Cb -0.08 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3jur s ALA 445 CO 0.00 -0.26 -0.06 -1.17 0.00 0.00 0.00 175.76 174.28 3jur s LEU 446 N -0.38 1.08 -0.12 0.00 2.96 -1.26 -0.16 118.68 120.81 3jur s LEU 446 Ca -0.05 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3jur s LEU 446 Cb -0.03 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.96 3jur s LEU 446 CO 0.03 -0.12 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.00 3jur s LEU 447 N 1.63 1.85 0.00 -0.68 1.02 0.29 -4.99 118.68 117.81 3jur s LEU 447 Ca 0.02 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.68 3jur s LEU 447 Cb -0.13 -1.21 0.00 0.00 0.02 0.00 0.00 46.19 44.87 3jur s LEU 447 CO -0.06 0.04 0.00 1.17 0.02 0.00 0.00 176.35 177.52