#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 0.78 -0.87 -1.84 5.85 -2.05 -3.22 115.31 113.96 3jur h LEU 6 Ca 0.00 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3jur h LEU 6 Cb 0.00 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3jur h LEU 6 CO 0.00 1.01 0.53 0.00 -0.34 0.00 0.00 178.44 179.64 3jur h ALA 7 N 1.04 1.11 -0.26 1.25 0.00 -1.99 0.31 119.26 120.72 3jur h ALA 7 Ca 0.08 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3jur h ALA 7 Cb 0.79 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jur h ALA 7 CO 0.07 0.57 -0.57 0.87 0.00 0.00 0.00 179.25 180.19 3jur h LYS 8 N 1.20 0.84 -0.40 0.00 1.57 -2.00 -2.31 116.57 115.48 3jur h LYS 8 Ca 0.31 -0.56 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3jur h LYS 8 Cb -0.05 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3jur h LYS 8 CO -0.06 1.19 0.24 -0.22 -0.57 0.00 0.00 179.45 180.03 3jur h LYS 9 N 0.61 0.47 -0.13 3.15 3.64 -1.45 -0.74 116.57 122.13 3jur h LYS 9 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3jur h LYS 9 Cb 1.18 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3jur h LYS 9 CO 0.13 0.31 0.05 0.82 -2.27 0.00 0.00 179.45 178.49 3jur h ILE 10 N 0.49 1.15 -0.46 2.00 2.04 -0.96 -0.47 117.51 121.30 3jur h ILE 10 Ca 0.16 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.63 3jur h ILE 10 Cb -0.00 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3jur h ILE 10 CO -0.07 0.14 0.12 -0.08 0.00 0.00 0.00 178.15 178.26 3jur h GLU 11 N 0.04 0.26 -0.55 2.37 4.81 -1.30 0.16 114.58 120.37 3jur h GLU 11 Ca 0.04 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3jur h GLU 11 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3jur h GLU 11 CO -0.00 0.17 0.35 1.49 -0.73 0.00 0.00 179.01 180.28 3jur h GLU 12 N 0.26 0.67 -0.25 1.92 4.81 -0.95 -0.66 114.58 120.39 3jur h GLU 12 Ca 0.23 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3jur h GLU 12 Cb 0.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3jur h GLU 12 CO -0.27 0.45 0.11 1.49 -0.73 0.00 0.00 179.01 180.06 3jur h GLU 13 N 0.69 0.24 -0.40 1.92 4.57 -0.52 -2.03 114.58 119.05 3jur h GLU 13 Ca 0.21 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 3jur h GLU 13 Cb -0.03 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3jur h GLU 13 CO -0.07 0.16 0.22 0.82 -1.18 0.00 0.00 179.01 178.95 3jur h ILE 14 N 0.25 1.00 0.00 2.32 2.04 -0.60 -2.57 117.51 119.94 3jur h ILE 14 Ca 0.11 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3jur h ILE 14 Cb 0.05 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3jur h ILE 14 CO -0.09 0.08 -0.07 -0.07 0.00 0.00 0.00 178.15 178.00 3jur h LEU 15 N 0.44 0.00 -0.20 1.44 3.38 -0.97 -1.64 115.31 117.76 3jur h LEU 15 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3jur h LEU 15 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3jur h LEU 15 CO -0.10 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.09 3jur n ASN 16 N -3.28 0.81 -0.00 -0.43 3.02 -0.78 -4.00 115.26 110.61 3jur n ASN 16 Ca -0.01 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 3jur n ASN 16 Cb 0.28 -0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 3jur n ASN 16 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3jur n HIS 17 N -2.29 0.00 -3.00 3.10 8.25 -0.86 -4.99 115.22 115.43 3jur n HIS 17 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 3jur n HIS 17 Cb 0.38 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 3jur n HIS 17 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3jur s VAL 18 N -1.31 4.96 -0.11 1.59 1.01 -0.67 -4.78 120.40 121.09 3jur s VAL 18 Ca 0.00 1.44 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 3jur s VAL 18 Cb 0.00 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3jur s VAL 18 CO 0.02 0.10 0.29 -0.13 0.00 0.00 0.00 175.10 175.37 3jur s ARG 19 N 1.81 0.30 0.39 2.72 1.81 -1.26 -4.93 118.95 119.78 3jur s ARG 19 Ca 0.35 0.47 -0.26 0.00 -1.72 0.00 0.00 55.73 54.57 3jur s ARG 19 Cb -0.16 0.06 -0.11 0.00 -0.45 0.00 0.00 34.95 34.28 3jur s ARG 19 CO 0.13 -0.09 1.23 0.39 -0.68 0.00 0.00 175.30 176.28 3jur n GLU 20 N 3.45 1.91 -2.20 3.54 4.71 -1.26 -4.79 120.64 125.99 3jur n GLU 20 Ca -0.18 0.67 -0.39 0.00 -0.01 0.00 0.00 57.16 57.25 3jur n GLU 20 Cb 0.56 -2.30 -0.02 0.00 -1.01 0.00 0.00 31.44 28.68 3jur n GLU 20 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3jur s PRO 21 N -2.03 4.18 -0.08 3.49 0.04 -1.26 -4.99 135.00 134.34 3jur s PRO 21 Ca 0.59 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 63.35 3jur s PRO 21 Cb -0.54 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 3jur s PRO 21 CO 0.60 -0.27 1.12 -1.14 0.04 0.00 0.00 177.00 177.34 3jur s GLN 22 N -2.05 4.38 -0.15 4.56 2.00 -1.26 -5.02 119.66 122.12 3jur s GLN 22 Ca 0.53 1.55 0.01 0.00 -2.00 0.00 0.00 55.36 55.45 3jur s GLN 22 Cb -0.35 -3.56 0.02 0.00 0.80 0.00 0.00 33.01 29.92 3jur s GLN 22 CO 0.45 -0.40 -0.17 0.42 -0.50 0.00 0.00 175.29 175.09 3jur s ILE 23 N 2.19 1.74 0.43 -2.34 -1.09 -1.26 -4.83 121.20 116.03 3jur s ILE 23 Ca 0.52 -0.75 -0.23 0.00 -2.23 0.00 0.00 60.65 57.96 3jur s ILE 23 Cb -0.22 -1.59 -0.11 0.00 -1.58 0.00 0.00 42.46 38.96 3jur s ILE 23 CO 0.20 0.49 0.81 -2.65 -1.23 0.00 0.00 174.94 172.56 3jur n PRO 24 N 4.58 0.98 -1.69 2.79 -0.02 -1.26 -4.81 135.00 135.57 3jur n PRO 24 Ca -0.19 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3jur n PRO 24 Cb 0.50 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3jur n PRO 24 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3jur n ASP 25 N 0.75 3.57 -3.66 2.55 2.03 -1.26 -4.43 116.55 116.11 3jur n ASP 25 Ca 0.11 -2.80 -0.07 0.00 0.52 0.00 0.00 54.79 52.55 3jur n ASP 25 Cb 0.39 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.20 3jur n ASP 25 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3jur s ARG 26 N 4.03 0.53 0.11 -0.67 3.52 -1.26 -5.08 118.95 120.12 3jur s ARG 26 Ca 0.52 1.13 0.05 0.00 -0.13 0.00 0.00 55.73 57.30 3jur s ARG 26 Cb 0.12 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 3jur s ARG 26 CO 0.00 -0.18 -0.12 -1.83 -0.81 0.00 0.00 175.30 172.36 3jur s GLU 27 N 2.03 0.95 -0.08 5.12 -1.05 -1.26 0.06 118.70 124.48 3jur s GLU 27 Ca -0.07 -1.21 -0.07 0.00 -0.15 0.00 0.00 54.97 53.47 3jur s GLU 27 Cb -0.09 -0.76 0.02 0.00 -0.44 0.00 0.00 34.13 32.86 3jur s GLU 27 CO -0.17 0.14 0.20 0.08 0.95 0.00 0.00 175.26 176.46 3jur s VAL 28 N -2.25 -0.00 -0.20 1.83 1.01 -0.14 -4.96 120.40 115.69 3jur s VAL 28 Ca 0.07 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 3jur s VAL 28 Cb -0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 3jur s VAL 28 CO 0.02 0.00 0.13 0.21 0.00 0.00 0.00 175.10 175.46 3jur s ASN 29 N 0.15 6.15 0.52 3.32 3.84 -1.26 0.10 114.94 127.76 3jur s ASN 29 Ca -0.00 0.21 0.20 0.00 0.21 0.00 0.00 52.86 53.47 3jur s ASN 29 Cb -0.02 -2.08 1.30 0.00 -0.55 0.00 0.00 41.25 39.90 3jur s ASN 29 CO -0.00 0.17 2.07 0.25 -2.79 0.00 0.00 177.10 176.80 3jur h LEU 30 N 6.72 0.03 -1.84 3.21 5.85 -1.64 -2.13 115.31 125.51 3jur h LEU 30 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3jur h LEU 30 Cb 1.15 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3jur h LEU 30 CO 0.75 0.02 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.80 3jur h LEU 31 N 0.04 0.08 0.00 2.25 3.38 -1.84 -1.98 115.31 117.25 3jur h LEU 31 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3jur h LEU 31 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3jur h LEU 31 CO -0.01 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.10 3jur n ASP 32 N -4.47 0.00 -1.12 -0.43 8.00 -0.80 -2.22 116.55 115.51 3jur n ASP 32 Ca -0.02 0.31 0.07 0.00 0.71 0.00 0.00 54.79 55.86 3jur n ASP 32 Cb 0.13 -0.40 0.28 0.00 -0.02 0.00 0.00 41.12 41.11 3jur n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3jur n PHE 33 N -1.40 1.21 -0.78 1.24 3.72 -0.75 -4.95 117.46 115.75 3jur n PHE 33 Ca 0.05 -0.93 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 3jur n PHE 33 Cb 0.13 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 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 -0.38 0.72 3.78 1.37 0.00 -0.94 -4.44 105.19 105.29 3jur n GLY 34 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.64 3.08 -0.04 4.61 0.00 -1.23 -5.02 121.76 120.51 3jur s ALA 35 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.79 3jur s ALA 35 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3jur s ALA 35 CO 0.00 -0.36 -0.14 1.03 0.00 0.00 0.00 175.76 176.30 3jur s ARG 36 N -2.49 1.54 -0.24 0.00 0.52 -1.26 -4.58 118.95 112.43 3jur s ARG 36 Ca 0.59 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3jur s ARG 36 Cb -0.25 -1.34 0.19 0.00 0.52 0.00 0.00 34.95 34.08 3jur s ARG 36 CO 0.31 0.16 1.88 0.41 0.02 0.00 0.00 175.30 178.07 3jur n GLY 37 N 3.34 3.63 0.85 -3.53 0.00 -1.26 -4.45 105.19 103.78 3jur n GLY 37 Ca -0.19 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 0.41 2.49 -1.95 1.61 5.68 -1.17 -1.79 116.55 121.83 3jur n ASP 38 Ca 0.24 -1.97 -0.18 0.00 -0.50 0.00 0.00 54.79 52.38 3jur n ASP 38 Cb 0.65 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.29 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 1.25 0.63 1.81 6.12 0.00 -0.20 -4.74 105.19 110.06 3jur n GLY 39 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.06 1.61 1.74 -1.26 -4.90 116.66 109.25 3jur n ARG 40 Ca -0.19 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.47 3jur n ARG 40 Cb 0.62 -0.09 -0.03 0.00 -1.02 0.00 0.00 32.46 31.94 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 -2.00 2.81 -0.33 0.55 2.01 -1.26 -4.97 115.64 112.46 3jur s THR 41 Ca 0.00 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 3jur s THR 41 Cb 0.00 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 3jur s THR 41 CO 0.00 0.10 1.42 -0.62 -0.69 0.00 0.00 174.62 174.83 3jur s ASP 42 N 0.44 6.46 -0.05 3.53 -1.08 -1.26 -3.93 116.67 120.78 3jur s ASP 42 Ca 0.60 1.15 0.19 0.00 -0.52 0.00 0.00 52.55 53.96 3jur s ASP 42 Cb -0.40 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.14 3jur s ASP 42 CO 0.41 -1.27 1.52 0.00 0.52 0.00 0.00 175.17 176.35 3jur h SER 44 N 3.82 -0.38 0.01 0.00 0.02 -1.91 -2.06 113.55 113.06 3jur h SER 44 Ca 0.00 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3jur h SER 44 Cb 1.12 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 3jur h SER 44 CO 0.11 -0.14 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.13 3jur h GLU 45 N -0.03 0.34 -0.05 3.45 4.39 -1.96 -2.56 114.58 118.17 3jur h GLU 45 Ca 0.17 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.77 3jur h GLU 45 Cb 0.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3jur h GLU 45 CO -0.37 0.54 -0.03 0.77 -1.16 0.00 0.00 179.01 178.76 3jur h SER 46 N 0.31 -0.11 -0.20 1.42 0.02 -1.60 -0.32 113.55 113.08 3jur h SER 46 Ca 0.05 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3jur h SER 46 Cb 0.55 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3jur h SER 46 CO 0.04 -0.05 0.10 -0.26 -1.14 0.00 0.00 176.83 175.52 3jur h PHE 47 N -0.04 0.19 -0.39 3.45 0.04 -1.35 -0.81 116.94 118.03 3jur h PHE 47 Ca 0.03 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.87 3jur h PHE 47 Cb 0.09 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 3jur h PHE 47 CO -0.13 0.11 0.09 -0.22 -0.60 0.00 0.00 178.31 177.56 3jur h LYS 48 N 0.22 0.22 -0.41 1.51 3.11 -1.33 -1.56 116.57 118.33 3jur h LYS 48 Ca 0.08 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 3jur h LYS 48 Cb 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 3jur h LYS 48 CO -0.05 0.14 -0.09 0.00 -2.81 0.00 0.00 179.45 176.64 3jur h ARG 49 N 0.22 0.78 -0.53 1.90 3.08 -0.89 -2.29 114.38 116.66 3jur h ARG 49 Ca 0.19 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 3jur h ARG 49 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3jur h ARG 49 CO -0.23 0.90 -0.07 0.00 -1.07 0.00 0.00 179.97 179.50 3jur h ALA 50 N 0.85 0.72 -0.23 0.04 0.00 -1.02 -1.72 119.26 117.90 3jur h ALA 50 Ca 0.10 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3jur h ALA 50 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3jur h ALA 50 CO 0.04 0.60 -0.07 0.82 0.00 0.00 0.00 179.25 180.65 3jur h ILE 51 N 0.86 1.29 -0.85 0.00 2.04 -1.31 -2.27 117.51 117.26 3jur h ILE 51 Ca 0.14 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3jur h ILE 51 Cb 0.62 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3jur h ILE 51 CO 0.04 0.33 0.43 -0.08 0.00 0.00 0.00 178.15 178.88 3jur h GLU 52 N 0.18 1.21 -0.58 2.37 4.57 -1.39 -1.49 114.58 119.46 3jur h GLU 52 Ca 0.06 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 3jur h GLU 52 Cb 0.53 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3jur h GLU 52 CO 0.02 0.91 0.08 1.49 -1.18 0.00 0.00 179.01 180.33 3jur h GLU 53 N 1.21 0.97 -0.39 1.92 4.81 -1.28 -2.47 114.58 119.35 3jur h GLU 53 Ca 0.30 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3jur h GLU 53 Cb 0.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3jur h GLU 53 CO -0.04 0.93 0.11 -0.07 -0.73 0.00 0.00 179.01 179.21 3jur h LEU 54 N 0.86 0.57 -0.75 1.64 3.38 -1.11 -3.15 115.31 116.75 3jur h LEU 54 Ca 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3jur h LEU 54 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3jur h LEU 54 CO 0.01 0.63 -0.14 0.77 0.09 0.00 0.00 178.44 179.81 3jur h SER 55 N 0.48 0.00 0.41 -0.43 4.64 -1.25 0.58 113.55 117.98 3jur h SER 55 Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 3jur h SER 55 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3jur h SER 55 CO -0.00 0.14 -0.48 0.11 -0.87 0.00 0.00 176.83 175.73 3jur h LYS 56 N 0.00 0.08 -0.01 4.77 1.57 -1.44 -2.78 116.57 118.77 3jur h LYS 56 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3jur h LYS 56 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3jur h LYS 56 CO 0.02 0.54 -0.14 1.04 -0.57 0.00 0.00 179.45 180.34 3jur n GLN 57 N -3.97 1.05 0.00 3.15 6.02 -0.94 -4.92 117.38 117.77 3jur n GLN 57 Ca -0.02 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 3jur n GLN 57 Cb 0.51 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 1.26 0.99 0.00 1.08 0.00 -0.91 -5.03 105.19 102.58 3jur n GLY 58 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3jur n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 59 N -0.79 -0.75 0.00 -0.02 0.00 0.20 -4.82 105.19 99.00 3jur n GLY 59 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.18 0.10 3.41 -0.02 0.00 0.21 -4.63 105.19 104.06 3jur n GLY 60 Ca 0.00 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 3jur n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jur s ARG 61 N -2.00 3.57 -0.31 1.61 3.52 0.11 -0.48 118.95 124.96 3jur s ARG 61 Ca 0.00 -0.53 -0.12 0.00 -0.13 0.00 0.00 55.73 54.95 3jur s ARG 61 Cb 0.00 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 3jur s ARG 61 CO 0.00 -0.16 0.24 -1.17 -0.81 0.00 0.00 175.30 173.40 3jur s LEU 62 N 1.46 4.24 -0.25 -0.88 2.96 0.71 -0.97 118.68 125.96 3jur s LEU 62 Ca 0.05 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 3jur s LEU 62 Cb -0.15 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3jur s LEU 62 CO 0.01 -0.15 0.53 -0.63 -1.32 0.00 0.00 176.35 174.78 3jur s ILE 63 N 1.79 5.07 -0.49 6.68 1.01 0.12 -0.69 121.20 134.68 3jur s ILE 63 Ca 0.08 0.92 -0.14 0.00 0.00 0.00 0.00 60.65 61.50 3jur s ILE 63 Cb -0.17 -3.84 0.10 0.00 0.01 0.00 0.00 42.46 38.56 3jur s ILE 63 CO 0.11 0.10 0.42 -0.69 0.00 0.00 0.00 174.94 174.87 3jur s VAL 64 N 2.21 5.03 0.80 2.92 1.01 0.06 -1.50 120.40 130.94 3jur s VAL 64 Ca 0.22 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 3jur s VAL 64 Cb -0.16 -4.12 0.19 0.00 0.00 0.00 0.00 36.38 32.30 3jur s VAL 64 CO 0.09 -0.70 0.81 -0.81 0.00 0.00 0.00 175.10 174.50 3jur n PRO 65 N 5.17 -2.01 -1.71 2.72 -0.04 -1.26 -0.51 135.00 137.36 3jur n PRO 65 Ca -0.12 -1.28 -0.41 0.00 -0.04 0.00 0.00 63.50 61.65 3jur n PRO 65 Cb 0.42 -1.08 0.01 0.00 -0.04 0.00 0.00 33.50 32.81 3jur n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3jur n GLU 66 N -3.56 2.03 0.00 0.54 -0.58 -1.26 -2.22 120.64 115.59 3jur n GLU 66 Ca 0.11 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 3jur n GLU 66 Cb 0.41 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 3jur n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jur n GLY 67 N 0.76 0.99 3.20 0.62 0.00 -1.26 -4.84 105.19 104.66 3jur n GLY 67 Ca 0.06 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.02 2.97 -0.32 1.61 1.01 -0.74 0.27 120.40 124.18 3jur s VAL 68 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 3jur s VAL 68 Cb 0.00 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3jur s VAL 68 CO 0.00 0.12 0.08 -0.36 0.00 0.00 0.00 175.10 174.94 3jur s PHE 69 N 1.32 3.23 0.15 5.22 0.08 0.68 -1.04 117.98 127.63 3jur s PHE 69 Ca -0.01 -1.41 -0.30 0.00 0.12 0.00 0.00 56.93 55.33 3jur s PHE 69 Cb -0.17 -2.24 -0.07 0.00 -0.57 0.00 0.00 43.02 39.96 3jur s PHE 69 CO -0.03 -0.71 1.04 -0.51 -0.10 0.00 0.00 175.22 174.90 3jur s LEU 70 N 1.40 4.50 0.06 -0.37 1.43 -1.25 -1.09 118.68 123.36 3jur s LEU 70 Ca -0.01 1.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.83 3jur s LEU 70 Cb -0.19 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.48 3jur s LEU 70 CO 0.02 -0.14 0.50 0.28 0.23 0.00 0.00 176.35 177.23 3jur s THR 71 N -0.16 0.04 0.00 5.49 -1.32 -0.65 0.14 115.64 119.18 3jur s THR 71 Ca 0.48 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 3jur s THR 71 Cb -0.27 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 3jur s THR 71 CO 0.32 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 3jur n GLY 72 N 0.31 -1.44 3.73 6.08 0.00 -1.26 -0.57 105.19 112.04 3jur n GLY 72 Ca -0.18 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 3jur n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jur n PRO 73 N -0.40 1.62 -3.85 1.61 -0.04 -1.26 -4.82 135.00 127.86 3jur n PRO 73 Ca 0.00 0.60 -0.36 0.00 -0.04 0.00 0.00 63.50 63.70 3jur n PRO 73 Cb 0.00 -2.53 -0.12 0.00 -0.04 0.00 0.00 33.50 30.81 3jur n PRO 73 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3jur s ILE 74 N -1.30 4.29 -0.36 0.52 1.01 0.27 -5.01 121.20 120.62 3jur s ILE 74 Ca 0.72 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 3jur s ILE 74 Cb -0.42 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.07 3jur s ILE 74 CO 0.49 0.37 0.20 -1.00 0.00 0.00 0.00 174.94 175.00 3jur s HIS 75 N 1.35 3.22 0.59 3.97 3.76 -1.26 -0.91 115.29 126.01 3jur s HIS 75 Ca 0.05 -0.74 -0.07 0.00 -0.15 0.00 0.00 55.06 54.15 3jur s HIS 75 Cb -0.15 -2.43 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 3jur s HIS 75 CO 0.03 -0.56 0.93 -0.51 -0.85 0.00 0.00 174.74 173.78 3jur s LEU 76 N 1.60 3.27 0.30 0.89 1.43 0.10 -4.99 118.68 121.29 3jur s LEU 76 Ca 0.03 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 3jur s LEU 76 Cb -0.18 -3.84 -0.06 0.00 0.03 0.00 0.00 46.19 42.14 3jur s LEU 76 CO 0.07 -0.96 0.08 -0.54 0.23 0.00 0.00 176.35 175.23 3jur s LYS 77 N -5.02 1.56 0.53 1.70 1.02 -1.26 -4.66 119.74 113.60 3jur s LYS 77 Ca 0.53 -1.86 -0.22 0.00 0.02 0.00 0.00 55.97 54.45 3jur s LYS 77 Cb -0.11 -0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 36.53 3jur s LYS 77 CO 0.48 -0.24 1.22 0.43 -0.92 0.00 0.00 175.35 176.32 3jur n SER 78 N -0.60 2.09 -1.18 2.83 7.64 -1.26 -3.32 113.62 119.81 3jur n SER 78 Ca -0.01 0.97 -0.11 0.00 1.01 0.00 0.00 58.87 60.72 3jur n SER 78 Cb 0.66 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 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 -0.60 -3.88 -4.31 6.43 3.02 -0.14 -4.66 115.26 111.13 3jur n ASN 79 Ca 0.10 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.40 3jur n ASN 79 Cb 0.44 -2.90 -0.15 0.00 -0.61 0.00 0.00 39.78 36.55 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 -2.53 2.77 -0.21 2.41 -1.09 -1.12 0.64 121.20 122.07 3jur s ILE 80 Ca 0.00 -0.75 -0.05 0.00 -2.23 0.00 0.00 60.65 57.62 3jur s ILE 80 Cb 0.00 -2.15 -0.02 0.00 -1.58 0.00 0.00 42.46 38.71 3jur s ILE 80 CO 0.00 0.53 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.53 3jur s GLU 81 N 0.50 3.52 -0.47 2.79 2.12 0.36 -1.33 118.70 126.18 3jur s GLU 81 Ca -0.11 -0.56 -0.20 0.00 0.36 0.00 0.00 54.97 54.46 3jur s GLU 81 Cb -0.16 -3.08 0.04 0.00 0.26 0.00 0.00 34.13 31.19 3jur s GLU 81 CO 0.05 -0.10 0.64 -1.17 -0.54 0.00 0.00 175.26 174.14 3jur s LEU 82 N 1.28 4.69 -0.43 2.70 2.96 0.11 -0.20 118.68 129.78 3jur s LEU 82 Ca 0.04 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 3jur s LEU 82 Cb -0.15 -2.59 0.07 0.00 0.50 0.00 0.00 46.19 44.02 3jur s LEU 82 CO 0.00 -0.84 0.30 -2.28 -1.32 0.00 0.00 176.35 172.21 3jur s HIS 83 N 2.77 3.30 -0.36 5.38 5.65 0.13 -0.89 115.29 131.27 3jur s HIS 83 Ca 0.19 -1.26 -0.13 0.00 0.25 0.00 0.00 55.06 54.12 3jur s HIS 83 Cb -0.16 -2.97 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 3jur s HIS 83 CO 0.16 -0.81 0.24 0.08 -0.65 0.00 0.00 174.74 173.76 3jur s VAL 84 N 1.51 5.10 -0.25 0.89 1.01 0.29 -0.76 120.40 128.19 3jur s VAL 84 Ca 0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 3jur s VAL 84 Cb -0.23 -3.71 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 3jur s VAL 84 CO 0.04 -0.11 -0.19 0.29 0.00 0.00 0.00 175.10 175.13 3jur n LYS 85 N 5.09 0.62 0.00 2.72 4.76 0.33 -1.12 118.16 130.56 3jur n LYS 85 Ca -0.12 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3jur n LYS 85 Cb 0.48 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3jur n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jur n GLY 86 N 1.67 1.55 3.32 0.72 0.00 -0.94 -3.78 105.19 107.73 3jur n GLY 86 Ca -0.47 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 3.00 2.65 -0.33 2.61 2.01 0.14 -0.71 115.64 125.02 3jur s THR 87 Ca 0.00 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.06 3jur s THR 87 Cb 0.00 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3jur s THR 87 CO 0.00 0.54 0.25 -0.63 -0.69 0.00 0.00 174.62 174.09 3jur s ILE 88 N 0.26 5.28 -0.23 1.82 1.01 -0.02 -0.23 121.20 129.09 3jur s ILE 88 Ca -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 3jur s ILE 88 Cb -0.16 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.61 3jur s ILE 88 CO 0.07 0.01 -0.05 -0.75 0.00 0.00 0.00 174.94 174.21 3jur s LYS 89 N 1.76 3.13 0.30 2.79 2.20 -0.25 -0.22 119.74 129.45 3jur s LYS 89 Ca 0.07 -0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 54.69 3jur s LYS 89 Cb -0.17 -3.00 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 3jur s LYS 89 CO 0.11 -0.29 0.82 -0.06 -0.36 0.00 0.00 175.35 175.57 3jur s PHE 90 N 1.41 3.56 -0.38 4.03 0.40 0.12 -1.64 117.98 125.49 3jur s PHE 90 Ca 0.04 1.50 -0.21 0.00 -0.60 0.00 0.00 56.93 57.66 3jur s PHE 90 Cb -0.15 -2.72 0.01 0.00 0.51 0.00 0.00 43.02 40.66 3jur s PHE 90 CO -0.04 0.19 0.64 0.42 0.70 0.00 0.00 175.22 177.14 3jur s ILE 91 N -1.73 4.86 -0.98 0.64 1.01 0.27 -4.43 121.20 120.85 3jur s ILE 91 Ca 0.50 0.46 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 3jur s ILE 91 Cb -0.15 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 3jur s ILE 91 CO 0.20 -0.40 2.78 -0.81 0.00 0.00 0.00 174.94 176.71 3jur n PRO 92 N 6.13 2.70 -4.02 2.79 -0.04 -1.26 -4.76 135.00 136.53 3jur n PRO 92 Ca -0.01 -1.61 -0.32 0.00 -0.04 0.00 0.00 63.50 61.51 3jur n PRO 92 Cb 0.48 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.50 4.65 0.44 3.54 3.68 -1.26 -4.89 116.67 125.33 3jur s ASP 93 Ca 0.58 -1.74 0.24 0.00 2.13 0.00 0.00 52.55 53.76 3jur s ASP 93 Cb 0.18 -1.61 1.25 0.00 -1.45 0.00 0.00 42.92 41.30 3jur s ASP 93 CO -0.04 -0.29 1.77 -0.65 0.13 0.00 0.00 175.17 176.09 3jur h PRO 94 N 7.73 0.25 -0.37 4.34 0.11 -2.01 0.11 132.00 142.16 3jur h PRO 94 Ca -0.13 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.99 3jur h PRO 94 Cb 1.03 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3jur h PRO 94 CO 0.50 0.17 0.25 0.93 -0.21 0.00 0.00 178.00 179.64 3jur h GLU 95 N 0.26 0.42 0.00 1.05 4.39 -1.96 -1.25 114.58 117.49 3jur h GLU 95 Ca 0.60 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.28 3jur h GLU 95 Cb 1.79 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 3jur h GLU 95 CO -0.23 0.28 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 3jur h ARG 96 N 0.44 0.00 -0.57 2.33 3.08 -1.33 -2.77 114.38 115.57 3jur h ARG 96 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3jur h ARG 96 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3jur h ARG 96 CO -0.03 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.53 3jur n TYR 97 N -2.59 1.97 -4.23 3.04 4.01 -0.47 -4.42 117.16 114.46 3jur n TYR 97 Ca -0.00 -0.73 -0.25 0.00 -0.16 0.00 0.00 57.90 56.76 3jur n TYR 97 Cb 0.16 -0.48 -0.08 0.00 -0.31 0.00 0.00 39.34 38.64 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 -2.69 3.27 0.86 7.72 1.43 -1.05 -0.84 118.68 127.38 3jur s LEU 98 Ca 0.54 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 3jur s LEU 98 Cb 0.41 -1.88 0.11 0.00 0.03 0.00 0.00 46.19 44.85 3jur s LEU 98 CO 0.16 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 3jur s PRO 99 N -3.16 1.56 0.50 1.29 0.04 -1.26 -5.04 135.00 128.93 3jur s PRO 99 Ca 0.28 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 3jur s PRO 99 Cb -0.08 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3jur s PRO 99 CO 0.19 -2.06 1.25 1.33 0.04 0.00 0.00 177.00 177.75 3jur n VAL 100 N -3.78 3.21 -4.44 -0.36 0.24 -1.26 -4.57 118.33 107.37 3jur n VAL 100 Ca 0.08 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.66 3jur n VAL 100 Cb 0.54 -1.54 -0.10 0.00 -1.47 0.00 0.00 33.84 31.28 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 -1.28 2.00 0.01 3.34 -7.23 -0.28 -4.82 120.40 112.14 3jur s VAL 101 Ca 0.67 -2.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 3jur s VAL 101 Cb -0.46 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 3jur s VAL 101 CO 0.53 -0.38 1.78 -0.22 -0.31 0.00 0.00 175.10 176.50 3jur s LEU 102 N -3.46 4.38 0.00 1.32 2.96 -1.26 -1.98 118.68 120.63 3jur s LEU 102 Ca 0.28 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 3jur s LEU 102 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3jur s LEU 102 CO 0.12 -0.97 0.00 1.07 -1.32 0.00 0.00 176.35 175.25 3jur n THR 103 N 5.35 0.00 -3.76 3.68 5.66 -0.28 -4.98 114.28 119.95 3jur n THR 103 Ca 0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.05 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 0.38 0.36 -0.18 1.09 3.52 -1.26 -2.15 118.95 120.70 3jur s ARG 104 Ca 0.00 0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 3jur s ARG 104 Cb 0.00 0.14 0.04 0.00 -1.56 0.00 0.00 34.95 33.58 3jur s ARG 104 CO 0.00 -0.06 -0.07 0.12 -0.81 0.00 0.00 175.30 174.48 3jur s PHE 105 N 0.33 1.94 -1.43 5.12 5.36 -0.15 -4.83 117.98 124.32 3jur s PHE 105 Ca -0.01 -1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 54.69 3jur s PHE 105 Cb -0.03 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.22 3jur s PHE 105 CO -0.01 -0.66 0.34 0.39 -1.46 0.00 0.00 175.22 173.82 3jur n GLU 106 N 4.81 -2.79 -0.71 10.12 1.02 -1.26 -2.33 120.64 129.50 3jur n GLU 106 Ca -0.13 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3jur n GLU 106 Cb 0.47 -4.32 0.00 0.00 -0.02 0.00 0.00 31.44 27.57 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 -2.10 0.79 3.22 0.62 0.00 -1.26 -4.67 105.19 101.80 3jur n GLY 107 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.97 2.08 0.41 -0.61 1.01 -0.98 -0.75 121.20 119.39 3jur s ILE 108 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 3jur s ILE 108 Cb 0.00 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 3jur s ILE 108 CO 0.00 0.56 1.13 -1.61 0.00 0.00 0.00 174.94 175.02 3jur s GLU 109 N 0.36 4.06 0.23 2.79 2.02 -1.26 -0.98 118.70 125.92 3jur s GLU 109 Ca -0.18 1.73 -0.22 0.00 0.02 0.00 0.00 54.97 56.32 3jur s GLU 109 Cb -0.18 -2.61 0.06 0.00 0.10 0.00 0.00 34.13 31.50 3jur s GLU 109 CO 0.09 -0.29 0.90 -0.48 0.02 0.00 0.00 175.26 175.50 3jur s LEU 110 N -2.59 -0.11 -0.23 1.80 2.34 -0.92 -4.92 118.68 114.06 3jur s LEU 110 Ca 0.58 -0.66 -0.07 0.00 0.06 0.00 0.00 54.13 54.04 3jur s LEU 110 Cb -0.28 2.38 -0.03 0.00 -0.56 0.00 0.00 46.19 47.70 3jur s LEU 110 CO 0.35 -1.17 0.07 -0.31 -1.06 0.00 0.00 176.35 174.23 3jur s TYR 111 N -2.93 3.13 0.34 3.48 2.02 -0.15 -1.13 117.35 122.10 3jur s TYR 111 Ca 0.15 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.48 3jur s TYR 111 Cb -0.03 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3jur s TYR 111 CO 0.06 -0.19 0.63 1.21 -1.57 0.00 0.00 175.55 175.68 3jur s ASN 112 N 1.22 0.25 0.08 2.29 2.47 -0.84 -0.52 114.94 119.88 3jur s ASN 112 Ca 0.05 -1.15 -0.32 0.00 0.42 0.00 0.00 52.86 51.86 3jur s ASN 112 Cb -0.14 0.73 -0.17 0.00 -1.45 0.00 0.00 41.25 40.22 3jur s ASN 112 CO 0.03 -1.43 0.75 -1.22 -3.72 0.00 0.00 177.10 171.51 3jur n TYR 113 N -0.51 0.14 -1.70 0.43 4.01 -1.26 -1.12 117.16 117.14 3jur n TYR 113 Ca -0.04 0.93 -0.43 0.00 -0.16 0.00 0.00 57.90 58.20 3jur n TYR 113 Cb 0.61 -1.84 -0.01 0.00 -0.31 0.00 0.00 39.34 37.78 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 1.55 3.05 -4.60 7.72 2.88 -0.02 -4.69 113.62 119.52 3jur n SER 114 Ca 0.17 1.17 -0.32 0.00 -1.33 0.00 0.00 58.87 58.57 3jur n SER 114 Cb 0.14 -1.50 0.15 0.00 -0.75 0.00 0.00 64.21 62.26 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 1.37 -0.39 0.10 -1.46 -0.02 -1.26 -4.81 135.00 128.53 3jur n PRO 115 Ca 0.08 -0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.47 3jur n PRO 115 Cb 0.35 -2.24 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.77 0.18 -7.63 2.45 3.38 -1.01 -3.38 115.31 107.52 3jur h LEU 116 Ca -0.43 -0.10 -0.56 0.00 0.09 0.00 0.00 57.88 56.88 3jur h LEU 116 Cb 1.27 -0.05 -0.38 0.00 0.09 0.00 0.00 40.66 41.60 3jur h LEU 116 CO 0.39 0.72 -0.79 -0.69 0.09 0.00 0.00 178.44 178.16 3jur s VAL 117 N -3.77 1.17 -0.05 1.22 1.01 0.23 -0.57 120.40 119.65 3jur s VAL 117 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3jur s VAL 117 Cb 0.12 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3jur s VAL 117 CO 0.78 0.12 -0.12 -0.47 0.00 0.00 0.00 175.10 175.41 3jur s TYR 118 N 1.60 1.35 -0.05 5.22 5.04 -0.09 -0.54 117.35 129.88 3jur s TYR 118 Ca 0.00 -0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 54.19 3jur s TYR 118 Cb -0.16 -0.97 0.03 0.00 0.35 0.00 0.00 41.96 41.21 3jur s TYR 118 CO -0.08 -0.21 0.02 0.00 -1.34 0.00 0.00 175.55 173.95 3jur s ALA 119 N 0.44 0.40 -0.13 3.97 0.00 -0.80 -0.72 121.76 124.92 3jur s ALA 119 Ca -0.10 0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3jur s ALA 119 Cb -0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3jur s ALA 119 CO 0.02 -0.35 -0.18 -1.17 0.00 0.00 0.00 175.76 174.08 3jur s LEU 120 N 1.75 2.36 -1.50 0.00 2.96 -1.26 -0.41 118.68 122.57 3jur s LEU 120 Ca 0.00 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.31 3jur s LEU 120 Cb -0.13 -1.51 0.07 0.00 0.50 0.00 0.00 46.19 45.13 3jur s LEU 120 CO -0.03 0.13 0.94 0.47 -1.32 0.00 0.00 176.35 176.54 3jur n ASP 121 N 3.77 -4.29 -4.82 3.68 8.00 -0.13 -4.98 116.55 117.78 3jur n ASP 121 Ca -0.19 -0.79 -0.22 0.00 0.71 0.00 0.00 54.79 54.31 3jur n ASP 121 Cb 0.52 -3.90 -0.04 0.00 -0.02 0.00 0.00 41.12 37.68 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 -3.88 0.89 -0.76 0.00 2.12 -1.26 -1.82 118.70 113.99 3jur s GLU 123 Ca 0.35 -0.63 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 3jur s GLU 123 Cb -0.07 -0.87 -0.00 0.00 0.26 0.00 0.00 34.13 33.45 3jur s GLU 123 CO 0.25 0.22 0.71 0.09 -0.54 0.00 0.00 175.26 175.99 3jur n ASN 124 N 2.19 -7.64 -4.11 -1.70 3.02 -0.19 -1.44 115.26 105.39 3jur n ASN 124 Ca -0.17 -0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 53.98 3jur n ASN 124 Cb 0.55 -5.20 -0.16 0.00 -0.61 0.00 0.00 39.78 34.36 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 -3.03 1.40 0.01 2.41 1.01 -0.67 -0.96 120.40 120.58 3jur s VAL 125 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3jur s VAL 125 Cb -0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3jur s VAL 125 CO 0.75 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 176.18 3jur s ALA 126 N 0.20 0.70 -0.14 5.51 0.00 -0.44 -1.27 121.76 126.32 3jur s ALA 126 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3jur s ALA 126 Cb -0.13 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3jur s ALA 126 CO 0.03 0.14 -0.19 0.42 0.00 0.00 0.00 175.76 176.15 3jur s ILE 127 N -0.48 1.89 0.34 0.00 1.01 0.28 0.07 121.20 124.30 3jur s ILE 127 Ca 0.01 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.86 3jur s ILE 127 Cb -0.05 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3jur s ILE 127 CO 0.00 0.52 0.27 0.42 0.00 0.00 0.00 174.94 176.14 3jur s THR 128 N 1.02 0.04 0.00 2.92 -4.23 -0.07 -0.85 115.64 114.47 3jur s THR 128 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3jur s THR 128 Cb -0.15 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3jur s THR 128 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3jur n GLY 129 N -0.65 1.58 1.44 3.99 0.00 -1.23 -0.54 105.19 109.78 3jur n GLY 129 Ca 0.07 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 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 2.94 -0.97 1.61 3.41 -1.05 -1.76 113.62 117.80 3jur n SER 130 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 3jur n SER 130 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -1.11 1.19 3.23 5.00 0.00 -0.28 -4.79 105.19 108.43 3jur n GLY 131 Ca 0.40 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 1.33 1.70 -0.28 1.61 1.01 0.11 -1.29 120.40 124.59 3jur s VAL 132 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3jur s VAL 132 Cb 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3jur s VAL 132 CO 0.00 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.86 3jur s LEU 133 N -0.49 3.68 -0.30 3.92 1.43 0.13 -0.84 118.68 126.20 3jur s LEU 133 Ca 0.08 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3jur s LEU 133 Cb -0.08 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3jur s LEU 133 CO -0.01 -0.18 0.03 -0.62 0.23 0.00 0.00 176.35 175.80 3jur s ASP 134 N 1.43 4.96 0.26 2.29 -1.08 0.69 -1.45 116.67 123.78 3jur s ASP 134 Ca 0.01 -1.15 0.26 0.00 -0.52 0.00 0.00 52.55 51.15 3jur s ASP 134 Cb -0.17 -1.76 0.84 0.00 -1.46 0.00 0.00 42.92 40.37 3jur s ASP 134 CO 0.00 -0.26 1.75 1.23 0.52 0.00 0.00 175.17 178.42 3jur h GLY 135 N 8.08 0.00 -0.55 2.66 0.00 -1.02 0.38 103.07 112.62 3jur h GLY 135 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.86 3jur h GLY 135 CO 0.56 0.00 -0.21 1.44 0.00 0.00 0.00 176.54 178.33 3jur n SER 136 N -2.38 -4.75 -4.74 0.19 7.64 -0.95 -4.61 113.62 104.01 3jur n SER 136 Ca 0.04 0.29 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 3jur n SER 136 Cb 0.38 -3.27 -0.05 0.00 -1.01 0.00 0.00 64.21 60.26 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 -2.31 3.35 0.00 -0.43 0.00 -0.59 -4.76 121.76 117.02 3jur s ALA 137 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3jur s ALA 137 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3jur s ALA 137 CO 0.00 -0.07 0.00 -0.40 0.00 0.00 0.00 175.76 175.29 3jur n ASP 138 N 2.02 0.00 0.00 0.00 5.68 -0.69 -4.70 116.55 118.87 3jur n ASP 138 Ca 0.01 -0.71 0.02 0.00 -0.50 0.00 0.00 54.79 53.60 3jur n ASP 138 Cb 0.47 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.87 0.00 -0.09 -1.12 4.13 -1.26 -1.59 115.26 114.46 3jur n ASN 139 Ca 0.00 0.38 0.02 0.00 1.68 0.00 0.00 54.58 56.66 3jur n ASN 139 Cb 0.00 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 3jur n ASN 139 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3jur n GLU 140 N -1.40 2.28 -3.67 3.52 1.02 -1.26 -4.28 120.64 116.85 3jur n GLU 140 Ca 0.01 -0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 56.55 3jur n GLU 140 Cb 0.03 -0.90 -0.17 0.00 -0.02 0.00 0.00 31.44 30.39 3jur n GLU 140 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3jur s HIS 141 N -0.77 -0.05 0.00 -0.32 3.76 -0.62 -4.94 115.29 112.35 3jur s HIS 141 Ca 0.03 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 3jur s HIS 141 Cb 0.03 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.35 3jur s HIS 141 CO 0.09 -0.23 0.00 0.91 -0.85 0.00 0.00 174.74 174.67 3jur n TRP 142 N 5.29 0.00 0.01 1.40 7.02 -1.26 -1.70 117.44 128.20 3jur n TRP 142 Ca -0.04 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.48 3jur n TRP 142 Cb 0.50 0.00 0.43 0.00 -2.42 0.00 0.00 31.31 29.82 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 0.49 -0.07 -5.99 6.55 -1.83 -2.08 115.95 113.02 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 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 28.13 3jur h TRP 143 CO 0.00 0.32 0.12 -1.35 -1.05 0.00 0.00 178.44 176.47 3jur h PRO 144 N 0.53 0.00 0.00 0.49 0.11 -1.76 -2.40 132.00 128.97 3jur h PRO 144 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 3jur h PRO 144 Cb -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 3jur h PRO 144 CO -0.03 0.00 -0.07 -1.49 -0.21 0.00 0.00 178.00 176.20 3jur h TRP 145 N 0.00 0.00 -0.55 0.65 4.06 -1.62 -1.58 115.95 116.91 3jur h TRP 145 Ca 0.03 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.02 3jur h TRP 145 Cb 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.40 3jur h TRP 145 CO 0.00 0.07 0.37 -0.22 -3.56 0.00 0.00 178.44 175.10 3jur h LYS 146 N 0.00 0.58 0.00 0.49 1.63 -1.62 0.26 116.57 117.90 3jur h LYS 146 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3jur h LYS 146 Cb 0.21 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3jur h LYS 146 CO 0.01 0.38 0.00 0.41 -3.45 0.00 0.00 179.45 176.80 3jur n GLY 147 N -1.48 0.76 3.71 5.01 0.00 -0.59 -4.58 105.19 108.02 3jur n GLY 147 Ca 0.07 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.60 4.23 0.35 1.61 1.02 -1.26 -4.89 119.74 120.19 3jur s LYS 148 Ca 0.00 0.07 0.09 0.00 0.02 0.00 0.00 55.97 56.15 3jur s LYS 148 Cb 0.00 -3.45 0.64 0.00 -0.52 0.00 0.00 37.83 34.50 3jur s LYS 148 CO 0.00 0.18 1.81 0.87 -0.92 0.00 0.00 175.35 177.29 3jur h LYS 149 N 6.86 0.17 -1.57 1.68 1.57 -1.95 -1.71 116.57 121.62 3jur h LYS 149 Ca -0.40 -0.06 0.46 0.00 -1.87 0.00 0.00 60.65 58.78 3jur h LYS 149 Cb 1.16 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 3jur h LYS 149 CO 0.74 0.46 1.12 -0.44 -0.57 0.00 0.00 179.45 180.77 3jur h ASP 150 N 0.15 0.02 0.00 0.86 3.32 -1.94 -2.37 116.42 116.46 3jur h ASP 150 Ca 0.02 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3jur h ASP 150 Cb 0.62 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 3jur h ASP 150 CO 0.05 -0.01 -0.62 0.49 -1.72 0.00 0.00 179.24 177.43 3jur n PHE 151 N -4.10 0.00 -0.27 4.55 3.72 -0.68 -4.98 117.46 115.69 3jur n PHE 151 Ca 0.35 -1.27 0.00 0.00 -0.05 0.00 0.00 57.45 56.48 3jur n PHE 151 Cb 1.62 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.93 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 -0.76 0.74 3.78 1.37 0.00 -0.89 -3.13 105.19 106.29 3jur n GLY 152 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.30 3.38 0.03 1.61 -0.00 -0.95 -4.72 118.94 116.00 3jur s TRP 153 Ca 0.00 1.67 -0.00 0.00 -0.00 0.00 0.00 56.10 57.77 3jur s TRP 153 Cb 0.00 -3.13 -0.03 0.00 -0.00 0.00 0.00 33.47 30.31 3jur s TRP 153 CO 0.00 -0.50 -0.03 0.15 -0.00 0.00 0.00 176.95 176.57 3jur s LYS 154 N -2.25 0.46 0.29 5.86 1.02 -1.26 -4.16 119.74 119.71 3jur s LYS 154 Ca 0.54 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 3jur s LYS 154 Cb -0.23 0.15 -0.13 0.00 -0.52 0.00 0.00 37.83 37.09 3jur s LYS 154 CO 0.29 -0.08 1.23 0.39 -0.92 0.00 0.00 175.35 176.27 3jur n GLU 155 N 0.89 1.84 -0.09 1.68 -0.58 -1.26 -1.96 120.64 121.18 3jur n GLU 155 Ca -0.19 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 3jur n GLU 155 Cb 0.58 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 3jur n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jur n GLY 156 N 1.28 0.93 3.71 0.62 0.00 -1.26 -5.05 105.19 105.42 3jur n GLY 156 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3jur n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jur s LEU 157 N 0.00 3.58 0.63 0.99 1.43 -0.83 -5.12 118.68 119.37 3jur s LEU 157 Ca 0.00 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 3jur s LEU 157 Cb 0.00 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3jur s LEU 157 CO 0.00 0.24 1.11 -2.16 0.23 0.00 0.00 176.35 175.77 3jur s PRO 158 N -1.86 2.97 0.32 1.29 0.04 -1.26 -4.85 135.00 131.65 3jur s PRO 158 Ca 0.23 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.74 3jur s PRO 158 Cb -0.12 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3jur s PRO 158 CO 0.14 -1.13 0.33 0.54 0.04 0.00 0.00 177.00 176.92 3jur s ASN 159 N -2.37 1.25 0.15 6.66 2.20 -1.26 -4.59 114.94 116.99 3jur s ASN 159 Ca 0.68 -1.62 0.25 0.00 -0.94 0.00 0.00 52.86 51.23 3jur s ASN 159 Cb -0.21 0.57 0.92 0.00 -2.00 0.00 0.00 41.25 40.53 3jur s ASN 159 CO 0.37 -1.12 1.75 0.00 -2.94 0.00 0.00 177.10 175.17 3jur n GLN 160 N -0.56 0.16 -0.06 3.55 10.64 0.91 -4.39 117.38 127.63 3jur n GLN 160 Ca 0.05 0.23 -0.07 0.00 -1.83 0.00 0.00 57.00 55.37 3jur n GLN 160 Cb 0.62 -1.72 -0.01 0.00 -0.86 0.00 0.00 30.24 28.27 3jur n GLN 160 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3jur h GLN 161 N 0.00 -0.09 -0.55 2.61 4.20 -1.87 -0.66 115.11 118.75 3jur h GLN 161 Ca 0.00 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3jur h GLN 161 Cb 0.53 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3jur h GLN 161 CO 0.00 -0.06 0.06 0.93 -0.67 0.00 0.00 178.83 179.09 3jur h GLU 162 N -0.09 0.90 -0.42 1.46 4.39 -2.01 -2.38 114.58 116.42 3jur h GLU 162 Ca 0.13 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 3jur h GLU 162 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3jur h GLU 162 CO -0.31 0.85 -0.14 -0.44 -1.16 0.00 0.00 179.01 177.81 3jur h ASP 163 N 0.85 0.78 -0.74 1.42 3.45 -1.65 -1.45 116.42 119.08 3jur h ASP 163 Ca 0.17 -0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 3jur h ASP 163 Cb 0.41 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 3jur h ASP 163 CO 0.01 0.93 0.25 0.58 -1.57 0.00 0.00 179.24 179.44 3jur h VAL 164 N 0.70 1.26 -0.29 -1.35 2.07 -0.97 -0.41 116.25 117.27 3jur h VAL 164 Ca 0.11 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3jur h VAL 164 Cb 0.63 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3jur h VAL 164 CO 0.04 0.35 0.03 0.50 0.02 0.00 0.00 177.57 178.51 3jur h LYS 165 N 1.09 0.49 -0.36 1.57 3.11 -1.20 -2.09 116.57 119.18 3jur h LYS 165 Ca 0.24 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 57.93 3jur h LYS 165 Cb 0.28 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 3jur h LYS 165 CO -0.01 0.62 0.19 -0.22 -2.81 0.00 0.00 179.45 177.21 3jur h LYS 166 N 0.29 0.52 -0.44 1.90 1.63 -1.14 -1.85 116.57 117.48 3jur h LYS 166 Ca 0.08 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3jur h LYS 166 Cb 0.38 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 3jur h LYS 166 CO 0.01 0.44 0.26 1.25 -3.45 0.00 0.00 179.45 177.97 3jur h LEU 167 N 0.46 0.43 -0.75 5.20 5.85 -1.03 0.61 115.31 126.08 3jur h LEU 167 Ca 0.13 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3jur h LEU 167 Cb 0.09 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3jur h LEU 167 CO -0.02 0.31 0.40 0.11 -0.34 0.00 0.00 178.44 178.89 3jur h LYS 168 N 0.53 1.06 -0.17 1.25 1.57 -1.31 -2.19 116.57 117.30 3jur h LYS 168 Ca 0.17 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3jur h LYS 168 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3jur h LYS 168 CO -0.08 0.80 0.10 0.93 -0.57 0.00 0.00 179.45 180.63 3jur h GLU 169 N 1.04 0.23 -0.62 3.15 5.08 -0.86 -0.05 114.58 122.56 3jur h GLU 169 Ca 0.26 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3jur h GLU 169 Cb 0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3jur h GLU 169 CO -0.04 0.21 0.36 0.52 -1.00 0.00 0.00 179.01 179.06 3jur h MET 170 N 0.19 0.68 -0.25 2.33 2.86 -0.74 -0.75 114.93 119.24 3jur h MET 170 Ca 0.06 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 3jur h MET 170 Cb 0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3jur h MET 170 CO -0.01 0.45 -0.40 0.00 1.06 0.00 0.00 176.91 178.00 3jur h ALA 171 N 1.29 0.83 -0.55 6.32 0.00 -1.32 -1.54 119.26 124.28 3jur h ALA 171 Ca 0.26 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3jur h ALA 171 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3jur h ALA 171 CO -0.13 0.65 0.29 0.93 0.00 0.00 0.00 179.25 180.98 3jur h GLU 172 N 0.48 0.54 -0.00 0.00 5.08 -0.54 -2.32 114.58 117.82 3jur h GLU 172 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3jur h GLU 172 Cb 0.91 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3jur h GLU 172 CO 0.08 0.35 -0.02 0.54 -1.00 0.00 0.00 179.01 178.97 3jur n ARG 173 N -4.86 0.82 -3.26 2.33 1.74 -0.33 -4.93 116.66 108.17 3jur n ARG 173 Ca 0.06 -0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 3jur n ARG 173 Cb 0.15 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.14 3jur n ARG 173 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jur n GLY 174 N 1.14 -0.28 3.78 -0.13 0.00 -0.70 -4.99 105.19 104.01 3jur n GLY 174 Ca 0.19 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3jur n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jur s THR 175 N -3.21 3.33 0.54 2.61 -4.23 -0.67 -4.98 115.64 109.04 3jur s THR 175 Ca 0.42 0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 61.52 3jur s THR 175 Cb -0.19 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 3jur s THR 175 CO 0.52 -0.20 1.31 -2.16 -0.54 0.00 0.00 174.62 173.55 3jur s PRO 176 N -3.36 3.17 0.26 3.99 0.04 -1.26 -4.85 135.00 132.99 3jur s PRO 176 Ca 0.71 2.12 -0.02 0.00 0.04 0.00 0.00 61.00 63.85 3jur s PRO 176 Cb -0.22 -2.22 0.50 0.00 0.04 0.00 0.00 34.50 32.60 3jur s PRO 176 CO 0.27 -1.13 1.78 0.28 0.04 0.00 0.00 177.00 178.24 3jur h VAL 177 N 1.39 0.79 0.00 -0.36 2.07 -1.93 -1.47 116.25 116.74 3jur h VAL 177 Ca -0.51 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3jur h VAL 177 Cb 1.30 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3jur h VAL 177 CO 0.57 0.13 -0.00 -0.33 0.02 0.00 0.00 177.57 177.95 3jur h GLU 178 N 0.69 0.00 -0.00 1.57 3.07 -1.97 0.13 114.58 118.07 3jur h GLU 178 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3jur h GLU 178 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3jur h GLU 178 CO -0.33 0.00 -0.23 -1.91 -1.40 0.00 0.00 179.01 175.15 3jur n GLU 179 N -3.23 0.01 -2.95 2.33 4.07 -0.55 -4.50 120.64 115.81 3jur n GLU 179 Ca -0.03 -0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.63 3jur n GLU 179 Cb 0.08 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 29.97 3jur n GLU 179 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3jur n ARG 180 N -1.49 4.08 -3.56 5.31 1.74 0.44 -4.99 116.66 118.19 3jur n ARG 180 Ca 0.06 -4.31 -0.40 0.00 -0.77 0.00 0.00 57.85 52.43 3jur n ARG 180 Cb 0.34 -2.62 -0.11 0.00 -1.02 0.00 0.00 32.46 29.04 3jur n ARG 180 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jur s VAL 181 N -1.67 5.22 0.00 1.55 1.01 -1.26 -0.98 120.40 124.27 3jur s VAL 181 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3jur s VAL 181 Cb 0.02 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3jur s VAL 181 CO 0.05 0.07 0.00 0.49 0.00 0.00 0.00 175.10 175.70 3jur n PHE 182 N 5.08 0.00 -0.50 5.22 3.72 0.32 -5.01 117.46 126.30 3jur n PHE 182 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3jur n PHE 182 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 4.77 2.63 3.70 1.37 0.00 -1.26 -4.76 105.19 111.64 3jur n GLY 183 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3jur n GLY 183 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3jur n LYS 184 N 13.43 2.22 -0.94 1.61 4.81 -1.26 -1.75 118.16 136.29 3jur n LYS 184 Ca 0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3jur n LYS 184 Cb 0.00 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 32.61 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 1.61 0.78 3.31 3.14 0.00 -1.26 -5.01 105.19 107.75 3jur n GLY 185 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.07 1.51 -0.34 1.61 3.76 -0.72 -5.10 115.29 112.94 3jur s HIS 186 Ca 0.00 -0.74 0.12 0.00 -0.15 0.00 0.00 55.06 54.28 3jur s HIS 186 Cb 0.00 -0.78 0.45 0.00 1.11 0.00 0.00 32.58 33.36 3jur s HIS 186 CO 0.00 0.14 1.09 0.66 -0.85 0.00 0.00 174.74 175.78 3jur n TYR 187 N -0.33 2.33 -3.61 1.40 4.01 -1.26 -4.80 117.16 114.90 3jur n TYR 187 Ca -0.08 -2.66 -0.40 0.00 -0.16 0.00 0.00 57.90 54.60 3jur n TYR 187 Cb 0.62 -0.24 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 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 -3.49 4.37 0.58 7.72 1.43 -1.26 -3.94 118.68 124.08 3jur s LEU 188 Ca 0.40 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 3jur s LEU 188 Cb 0.40 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3jur s LEU 188 CO -0.05 -0.25 1.20 -0.13 0.23 0.00 0.00 176.35 177.35 3jur s ARG 189 N 1.63 3.04 0.56 1.70 0.52 -1.26 -4.74 118.95 120.40 3jur s ARG 189 Ca 0.04 1.81 -0.05 0.00 -0.52 0.00 0.00 55.73 57.02 3jur s ARG 189 Cb -0.18 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3jur s ARG 189 CO 0.07 -1.14 0.86 -1.25 0.02 0.00 0.00 175.30 173.86 3jur s PRO 190 N -3.29 3.02 0.81 3.54 0.04 -1.26 -4.99 135.00 132.87 3jur s PRO 190 Ca 0.76 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3jur s PRO 190 Cb -0.30 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.00 3jur s PRO 190 CO 0.33 -0.58 1.09 -1.12 0.04 0.00 0.00 177.00 176.75 3jur s SER 191 N -4.27 4.21 0.00 6.66 0.01 -1.26 -4.01 113.70 115.04 3jur s SER 191 Ca 0.52 1.64 0.00 0.00 1.31 0.00 0.00 55.95 59.43 3jur s SER 191 Cb -0.10 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3jur s SER 191 CO 0.44 -2.20 0.00 0.33 0.41 0.00 0.00 173.24 172.23 3jur n PHE 192 N -3.61 0.00 -3.70 2.43 -0.00 -0.23 -2.77 117.46 109.59 3jur n PHE 192 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.15 3jur n PHE 192 Cb 0.54 -0.22 -0.12 0.00 -0.00 0.00 0.00 39.48 39.68 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 -0.47 4.33 -0.08 -2.13 1.01 0.24 -0.60 120.40 122.70 3jur s VAL 193 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3jur s VAL 193 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.17 3jur s VAL 193 CO 0.00 0.06 -0.07 -1.58 0.00 0.00 0.00 175.10 173.51 3jur s GLN 194 N 1.56 1.27 -0.31 2.72 0.74 0.30 -0.26 119.66 125.68 3jur s GLN 194 Ca 0.04 -0.20 -0.08 0.00 0.05 0.00 0.00 55.36 55.17 3jur s GLN 194 Cb -0.17 -1.30 0.01 0.00 1.10 0.00 0.00 33.01 32.64 3jur s GLN 194 CO 0.05 -0.17 0.11 -0.06 -0.55 0.00 0.00 175.29 174.67 3jur s PHE 195 N 1.38 3.17 -0.29 1.67 0.08 -1.15 -1.91 117.98 120.92 3jur s PHE 195 Ca -0.02 -0.85 -0.07 0.00 0.12 0.00 0.00 56.93 56.11 3jur s PHE 195 Cb -0.14 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3jur s PHE 195 CO -0.04 -0.55 0.08 -0.47 -0.10 0.00 0.00 175.22 174.15 3jur s TYR 196 N 1.54 3.14 -1.30 0.36 5.04 0.45 -0.27 117.35 126.30 3jur s TYR 196 Ca 0.03 -0.96 -0.07 0.00 -2.44 0.00 0.00 57.07 53.63 3jur s TYR 196 Cb -0.17 -2.25 -0.00 0.00 0.35 0.00 0.00 41.96 39.89 3jur s TYR 196 CO 0.04 -0.57 0.59 0.54 -1.34 0.00 0.00 175.55 174.81 3jur n ARG 197 N 4.86 -2.90 -4.05 4.97 1.74 0.27 -0.95 116.66 120.60 3jur n ARG 197 Ca -0.15 0.46 -0.22 0.00 -0.77 0.00 0.00 57.85 57.17 3jur n ARG 197 Cb 0.48 -4.50 -0.05 0.00 -1.02 0.00 0.00 32.46 27.37 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 -3.86 0.99 -0.48 0.00 0.52 -0.75 -1.82 118.95 113.54 3jur s ARG 199 Ca 0.36 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.93 3jur s ARG 199 Cb -0.06 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.45 3jur s ARG 199 CO 0.24 0.26 0.56 0.09 0.02 0.00 0.00 175.30 176.47 3jur n ASN 200 N 2.50 -7.22 -4.31 0.23 3.02 -0.66 -1.02 115.26 107.80 3jur n ASN 200 Ca -0.15 0.28 -0.31 0.00 -0.03 0.00 0.00 54.58 54.37 3jur n ASN 200 Cb 0.55 -4.87 -0.16 0.00 -0.61 0.00 0.00 39.78 34.70 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 -2.63 2.19 -0.08 2.41 1.01 -0.19 -1.66 120.40 121.44 3jur s VAL 201 Ca 0.14 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3jur s VAL 201 Cb -0.04 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.57 3jur s VAL 201 CO 0.67 0.58 -0.10 -0.22 0.00 0.00 0.00 175.10 176.03 3jur s LEU 202 N -0.41 1.46 -0.16 3.92 2.96 -0.40 -0.59 118.68 125.45 3jur s LEU 202 Ca 0.04 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3jur s LEU 202 Cb -0.12 -0.77 0.03 0.00 0.50 0.00 0.00 46.19 45.83 3jur s LEU 202 CO 0.01 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.18 3jur s VAL 203 N 1.01 1.68 0.04 1.68 1.01 0.64 -0.56 120.40 125.90 3jur s VAL 203 Ca -0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3jur s VAL 203 Cb -0.15 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3jur s VAL 203 CO -0.00 0.42 0.13 -1.83 0.00 0.00 0.00 175.10 173.82 3jur s GLU 204 N 1.43 0.62 0.00 2.72 -1.05 -0.03 -0.96 118.70 121.42 3jur s GLU 204 Ca 0.04 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 3jur s GLU 204 Cb -0.13 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 3jur s GLU 204 CO -0.11 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.35 3jur n GLY 205 N 0.76 1.09 3.78 -3.83 0.00 -0.97 -3.50 105.19 102.52 3jur n GLY 205 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3jur n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jur s VAL 206 N 0.00 3.46 -0.18 1.61 -7.23 -0.73 -4.45 120.40 112.89 3jur s VAL 206 Ca 0.00 0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 60.92 3jur s VAL 206 Cb 0.00 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 3jur s VAL 206 CO 0.00 -0.24 0.19 -0.75 -0.31 0.00 0.00 175.10 173.99 3jur s LYS 207 N -3.43 4.14 -0.18 4.82 2.20 -0.41 -1.54 119.74 125.34 3jur s LYS 207 Ca 0.69 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 56.17 3jur s LYS 207 Cb -0.20 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3jur s LYS 207 CO 0.27 0.33 -0.04 0.42 -0.36 0.00 0.00 175.35 175.96 3jur s ILE 208 N 0.25 3.63 0.13 5.43 1.01 0.12 -0.69 121.20 131.07 3jur s ILE 208 Ca 0.12 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3jur s ILE 208 Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3jur s ILE 208 CO 0.01 0.46 -0.08 0.27 0.00 0.00 0.00 174.94 175.60 3jur s ILE 209 N 0.86 0.93 -1.30 2.92 -4.36 -0.53 -1.01 121.20 118.71 3jur s ILE 209 Ca -0.01 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.33 3jur s ILE 209 Cb -0.15 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.77 3jur s ILE 209 CO 0.01 -0.79 0.61 0.59 0.24 0.00 0.00 174.94 175.60 3jur n ASN 210 N -0.13 -1.92 -4.76 4.36 3.02 -1.26 -1.29 115.26 113.27 3jur n ASN 210 Ca -0.11 -0.95 -0.40 0.00 -0.03 0.00 0.00 54.58 53.10 3jur n ASN 210 Cb 0.61 -3.49 -0.06 0.00 -0.61 0.00 0.00 39.78 36.23 3jur n ASN 210 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3jur s SER 211 N -4.13 7.51 0.24 6.41 0.15 -1.26 -1.54 113.70 121.07 3jur s SER 211 Ca 0.13 1.79 -0.06 0.00 0.70 0.00 0.00 55.95 58.50 3jur s SER 211 Cb -0.04 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.95 3jur s SER 211 CO 0.86 0.18 1.89 -0.65 1.20 0.00 0.00 173.24 176.72 3jur h PRO 212 N 4.20 1.30 0.00 5.44 0.11 -1.86 -3.44 132.00 137.75 3jur h PRO 212 Ca -0.46 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3jur h PRO 212 Cb 1.20 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3jur h PRO 212 CO 0.67 0.90 0.00 -0.12 -0.21 0.00 0.00 178.00 179.24 3jur n MET 213 N -4.35 0.00 -1.98 1.05 1.56 -1.26 -4.67 117.12 107.47 3jur n MET 213 Ca 0.11 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.13 3jur n MET 213 Cb 0.06 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.41 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 1.86 2.95 -0.09 1.12 0.51 -1.16 -4.10 118.94 120.03 3jur s TRP 214 Ca 0.00 1.07 -0.01 0.00 -2.12 0.00 0.00 56.10 55.04 3jur s TRP 214 Cb 0.00 -3.85 -0.01 0.00 -0.81 0.00 0.00 33.47 28.80 3jur s TRP 214 CO 0.00 -2.69 0.04 0.00 -0.51 0.00 0.00 176.95 173.79 3jur s ILE 216 N -1.65 1.80 -0.47 0.00 1.01 -0.77 -0.60 121.20 120.53 3jur s ILE 216 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3jur s ILE 216 Cb 0.00 -1.71 0.17 0.00 0.01 0.00 0.00 42.46 40.93 3jur s ILE 216 CO 0.02 0.40 0.37 -2.28 0.00 0.00 0.00 174.94 173.45 3jur s HIS 217 N 1.37 1.63 0.09 3.97 2.46 0.64 -0.44 115.29 125.01 3jur s HIS 217 Ca 0.03 -2.53 -0.30 0.00 0.47 0.00 0.00 55.06 52.73 3jur s HIS 217 Cb -0.14 -1.32 -0.05 0.00 -0.13 0.00 0.00 32.58 30.94 3jur s HIS 217 CO -0.11 -0.77 0.96 -1.25 -2.47 0.00 0.00 174.74 171.10 3jur s PRO 218 N -0.24 4.67 -0.08 2.88 0.04 -1.24 -2.95 135.00 138.08 3jur s PRO 218 Ca 0.31 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3jur s PRO 218 Cb 0.01 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3jur s PRO 218 CO -0.18 0.18 -0.17 0.08 0.04 0.00 0.00 177.00 176.94 3jur s VAL 219 N 0.15 1.49 -1.48 -0.36 1.01 0.62 -1.17 120.40 120.66 3jur s VAL 219 Ca 0.47 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 3jur s VAL 219 Cb -0.23 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 34.91 3jur s VAL 219 CO 0.29 0.43 0.78 0.18 0.00 0.00 0.00 175.10 176.79 3jur n LEU 220 N 3.64 -2.17 -4.52 3.92 4.77 0.27 -0.57 117.00 122.35 3jur n LEU 220 Ca -0.21 -0.63 -0.26 0.00 -0.03 0.00 0.00 56.01 54.88 3jur n LEU 220 Cb 0.52 -2.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.09 3jur n LEU 220 CO 0.26 0.33 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.77 3jur s SER 221 N -3.06 3.94 0.01 -1.43 0.01 -1.24 -3.88 113.70 108.05 3jur s SER 221 Ca 0.56 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 57.11 3jur s SER 221 Cb -0.29 -0.53 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 3jur s SER 221 CO 0.69 0.09 -0.10 -0.70 0.41 0.00 0.00 173.24 173.63 3jur s GLU 222 N -2.99 0.77 -0.56 12.44 2.12 -0.76 -1.59 118.70 128.13 3jur s GLU 222 Ca 0.25 -0.45 -0.07 0.00 0.36 0.00 0.00 54.97 55.06 3jur s GLU 222 Cb -0.08 -0.73 0.01 0.00 0.26 0.00 0.00 34.13 33.59 3jur s GLU 222 CO 0.14 0.19 0.62 -1.71 -0.54 0.00 0.00 175.26 173.96 3jur n ASN 223 N 2.55 -7.57 -4.23 -1.70 5.15 -0.84 -1.65 115.26 106.97 3jur n ASN 223 Ca -0.15 0.21 -0.32 0.00 -0.60 0.00 0.00 54.58 53.72 3jur n ASN 223 Cb 0.56 -5.13 -0.17 0.00 -0.53 0.00 0.00 39.78 34.52 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 -2.77 2.17 -0.16 3.44 1.01 -0.71 -1.02 120.40 122.36 3jur s VAL 224 Ca 0.11 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3jur s VAL 224 Cb -0.03 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3jur s VAL 224 CO 0.72 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 175.56 3jur s ILE 225 N 0.41 1.85 -0.26 2.22 1.01 0.24 -0.74 121.20 125.93 3jur s ILE 225 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3jur s ILE 225 Cb -0.17 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.66 3jur s ILE 225 CO 0.07 0.51 -0.08 -0.63 0.00 0.00 0.00 174.94 174.81 3jur s ILE 226 N 1.24 2.54 -0.00 2.92 -1.09 0.50 -0.26 121.20 127.04 3jur s ILE 226 Ca 0.02 -1.35 -0.02 0.00 -2.23 0.00 0.00 60.65 57.07 3jur s ILE 226 Cb -0.14 -2.39 -0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3jur s ILE 226 CO -0.09 0.07 0.03 0.00 -1.23 0.00 0.00 174.94 173.72 3jur s ARG 227 N 1.21 0.21 -1.40 2.79 1.70 -0.14 -1.37 118.95 121.95 3jur s ARG 227 Ca -0.04 -0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 3jur s ARG 227 Cb -0.18 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.29 3jur s ARG 227 CO -0.05 -0.04 0.17 0.09 -1.08 0.00 0.00 175.30 174.40 3jur n ASN 228 N 2.32 -4.90 -4.98 -2.89 3.02 -0.92 -2.46 115.26 104.45 3jur n ASN 228 Ca -0.18 -0.03 -0.20 0.00 -0.03 0.00 0.00 54.58 54.14 3jur n ASN 228 Cb 0.57 -4.08 -0.01 0.00 -0.61 0.00 0.00 39.78 35.66 3jur n ASN 228 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3jur s ILE 229 N -2.89 4.60 -0.10 2.41 -4.36 -1.26 -2.30 121.20 117.30 3jur s ILE 229 Ca 0.10 -0.93 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 3jur s ILE 229 Cb -0.05 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 40.04 3jur s ILE 229 CO 0.13 -0.26 -0.21 -0.70 0.24 0.00 0.00 174.94 174.14 3jur s GLU 230 N -4.13 2.73 -0.22 0.37 2.12 -0.59 -1.63 118.70 117.34 3jur s GLU 230 Ca 0.41 -0.76 -0.07 0.00 0.36 0.00 0.00 54.97 54.90 3jur s GLU 230 Cb -0.09 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 3jur s GLU 230 CO 0.31 0.09 0.06 0.42 -0.54 0.00 0.00 175.26 175.60 3jur s ILE 231 N 0.57 4.47 -0.39 -3.70 -1.09 -0.28 0.15 121.20 120.93 3jur s ILE 231 Ca -0.14 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.17 3jur s ILE 231 Cb -0.17 -3.06 0.16 0.00 -1.58 0.00 0.00 42.46 37.81 3jur s ILE 231 CO 0.05 0.38 0.29 -0.55 -1.23 0.00 0.00 174.94 173.88 3jur s SER 232 N 1.13 2.20 -0.27 3.58 0.15 -0.18 -0.70 113.70 119.62 3jur s SER 232 Ca 0.04 -2.70 -0.07 0.00 0.70 0.00 0.00 55.95 53.93 3jur s SER 232 Cb -0.14 -0.46 0.13 0.00 -1.71 0.00 0.00 66.02 63.84 3jur s SER 232 CO 0.03 -0.23 0.56 -0.55 1.20 0.00 0.00 173.24 174.26 3jur s SER 233 N 0.47 -0.89 -0.22 5.45 0.15 -0.57 -4.03 113.70 114.06 3jur s SER 233 Ca 0.26 1.18 0.11 0.00 0.70 0.00 0.00 55.95 58.20 3jur s SER 233 Cb -0.09 1.97 0.43 0.00 -1.71 0.00 0.00 66.02 66.62 3jur s SER 233 CO -0.10 -0.24 1.23 0.35 1.20 0.00 0.00 173.24 175.68 3jur n THR 234 N 5.43 2.25 -1.74 6.45 -2.24 -1.26 -1.58 114.28 121.59 3jur n THR 234 Ca -0.08 -3.32 -0.14 0.00 -2.27 0.00 0.00 64.05 58.24 3jur n THR 234 Cb 0.50 -0.33 0.09 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.08 -0.71 3.70 3.38 0.00 -1.26 -4.46 105.19 104.76 3jur n GLY 235 Ca 0.22 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3jur n GLY 235 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jur s PRO 236 N -4.22 4.26 -1.64 1.61 0.04 -1.26 -2.52 135.00 131.27 3jur s PRO 236 Ca 0.36 2.14 -0.01 0.00 0.04 0.00 0.00 61.00 63.53 3jur s PRO 236 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3jur s PRO 236 CO 0.25 -0.59 0.17 0.09 0.04 0.00 0.00 177.00 176.96 3jur n ASN 237 N 4.89 -5.71 -3.63 6.66 4.13 -1.26 -4.71 115.26 115.63 3jur n ASN 237 Ca 0.14 -0.08 -0.41 0.00 1.68 0.00 0.00 54.58 55.91 3jur n ASN 237 Cb 0.42 -4.72 -0.01 0.00 -1.54 0.00 0.00 39.78 33.93 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 -2.13 5.37 -4.74 6.41 5.03 -1.05 -2.97 115.26 121.18 3jur n ASN 238 Ca -0.20 -2.80 -0.36 0.00 0.87 0.00 0.00 54.58 52.09 3jur n ASN 238 Cb 0.66 -1.61 0.06 0.00 -1.02 0.00 0.00 39.78 37.87 3jur n ASN 238 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3jur s ASP 239 N 2.64 4.70 0.00 6.41 1.11 -1.26 -2.44 116.67 127.84 3jur s ASP 239 Ca 0.52 2.45 0.00 0.00 0.18 0.00 0.00 52.55 55.70 3jur s ASP 239 Cb 0.15 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.54 3jur s ASP 239 CO -0.07 -1.93 0.04 0.61 1.18 0.00 0.00 175.17 174.99 3jur n GLY 240 N 0.58 -0.22 2.96 0.21 0.00 -0.83 -1.73 105.19 106.16 3jur n GLY 240 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.88 0.99 -0.67 -0.61 1.01 -0.08 -1.84 121.20 119.12 3jur s ILE 241 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3jur s ILE 241 Cb 0.00 -0.95 0.17 0.00 0.01 0.00 0.00 42.46 41.69 3jur s ILE 241 CO 0.00 0.34 0.47 -1.81 0.00 0.00 0.00 174.94 173.94 3jur s ASP 242 N 1.06 5.07 -0.16 3.58 1.01 0.42 -0.94 116.67 126.72 3jur s ASP 242 Ca -0.08 -3.27 -0.29 0.00 0.71 0.00 0.00 52.55 49.63 3jur s ASP 242 Cb -0.14 -1.77 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 3jur s ASP 242 CO -0.01 -0.24 1.49 -2.84 0.21 0.00 0.00 175.17 173.78 3jur s PRO 243 N -0.65 4.06 -0.22 8.23 0.02 -1.16 -3.71 135.00 141.57 3jur s PRO 243 Ca 0.21 1.78 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3jur s PRO 243 Cb -0.16 -3.92 0.04 0.00 0.02 0.00 0.00 34.50 30.48 3jur s PRO 243 CO -0.07 -0.96 -0.13 -2.00 -0.33 0.00 0.00 177.00 173.51 3jur s GLU 244 N 4.08 2.34 -1.44 5.54 2.12 -0.32 -0.58 118.70 130.44 3jur s GLU 244 Ca 0.65 -1.04 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 3jur s GLU 244 Cb -0.26 -2.64 0.04 0.00 0.26 0.00 0.00 34.13 31.53 3jur s GLU 244 CO 0.24 -0.43 0.67 0.43 -0.54 0.00 0.00 175.26 175.63 3jur n SER 245 N 4.57 -1.90 -4.74 -1.70 7.64 -0.18 -0.56 113.62 116.75 3jur n SER 245 Ca -0.16 -0.90 -0.26 0.00 1.01 0.00 0.00 58.87 58.56 3jur n SER 245 Cb 0.46 -3.51 -0.06 0.00 -1.01 0.00 0.00 64.21 60.09 3jur n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jur s LYS 247 N -3.16 0.73 -0.28 0.00 2.20 -0.62 -1.42 119.74 117.19 3jur s LYS 247 Ca 0.30 -0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.70 3jur s LYS 247 Cb -0.09 -0.73 0.01 0.00 -1.51 0.00 0.00 37.83 35.51 3jur s LYS 247 CO 0.21 -0.01 0.24 0.66 -0.36 0.00 0.00 175.35 176.09 3jur n TYR 248 N 3.69 -2.79 -3.81 4.03 4.01 -0.99 -2.03 117.16 119.27 3jur n TYR 248 Ca -0.22 1.18 -0.13 0.00 -0.16 0.00 0.00 57.90 58.57 3jur n TYR 248 Cb 0.53 -3.42 -0.14 0.00 -0.31 0.00 0.00 39.34 36.00 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 -1.75 0.03 -0.15 -0.72 -2.45 -0.83 -1.74 119.30 111.70 3jur s MET 249 Ca 0.10 0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.70 3jur s MET 249 Cb -0.03 -0.10 -0.00 0.00 1.25 0.00 0.00 34.83 35.95 3jur s MET 249 CO 0.58 -0.08 -0.17 -1.17 1.05 0.00 0.00 175.02 175.23 3jur s LEU 250 N 0.55 2.40 -0.23 4.11 2.96 0.09 -0.40 118.68 128.16 3jur s LEU 250 Ca -0.04 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3jur s LEU 250 Cb -0.06 -1.53 0.05 0.00 0.50 0.00 0.00 46.19 45.14 3jur s LEU 250 CO -0.02 0.09 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.35 3jur s ILE 251 N 0.75 1.99 0.01 6.68 1.01 0.42 -0.37 121.20 131.69 3jur s ILE 251 Ca -0.07 -1.32 -0.07 0.00 0.00 0.00 0.00 60.65 59.19 3jur s ILE 251 Cb -0.16 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 3jur s ILE 251 CO 0.01 0.14 0.12 -1.83 0.00 0.00 0.00 174.94 173.38 3jur s GLU 252 N 1.23 0.50 -1.48 2.79 -1.05 -0.47 -0.94 118.70 119.27 3jur s GLU 252 Ca -0.04 -0.48 -0.03 0.00 -0.15 0.00 0.00 54.97 54.27 3jur s GLU 252 Cb -0.18 0.20 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 3jur s GLU 252 CO -0.08 -0.12 0.29 1.63 0.95 0.00 0.00 175.26 177.94 3jur n LYS 253 N 1.31 -3.22 -3.93 -4.83 5.02 -1.04 -2.17 118.16 109.31 3jur n LYS 253 Ca -0.22 0.81 -0.28 0.00 -2.02 0.00 0.00 58.31 56.60 3jur n LYS 253 Cb 0.56 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.99 3jur n LYS 253 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jur s ARG 255 N -2.96 3.39 -0.04 0.00 6.06 -0.65 -0.30 118.95 124.44 3jur s ARG 255 Ca 0.35 -0.68 0.05 0.00 -2.50 0.00 0.00 55.73 52.96 3jur s ARG 255 Cb -0.12 -2.68 -0.01 0.00 0.06 0.00 0.00 34.95 32.20 3jur s ARG 255 CO 0.28 0.16 -0.20 -0.06 -2.50 0.00 0.00 175.30 172.98 3jur s PHE 256 N 0.50 1.95 -0.24 5.12 0.08 -0.03 -1.13 117.98 124.23 3jur s PHE 256 Ca -0.08 -0.53 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 3jur s PHE 256 Cb -0.16 -1.29 0.09 0.00 -0.57 0.00 0.00 43.02 41.09 3jur s PHE 256 CO 0.04 -0.15 0.14 0.34 -0.10 0.00 0.00 175.22 175.49 3jur s ASP 257 N -0.14 2.85 0.16 1.36 2.15 0.13 -1.81 116.67 121.38 3jur s ASP 257 Ca -0.01 -0.95 0.11 0.00 0.43 0.00 0.00 52.55 52.13 3jur s ASP 257 Cb -0.11 -0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.27 3jur s ASP 257 CO 0.02 -0.40 -0.25 0.42 -0.17 0.00 0.00 175.17 174.79 3jur s THR 258 N 2.15 2.24 -1.12 1.71 -4.23 -1.26 -1.51 115.64 113.63 3jur s THR 258 Ca 0.07 -1.88 0.29 0.00 -1.18 0.00 0.00 61.69 58.99 3jur s THR 258 Cb -0.16 -2.02 0.29 0.00 1.34 0.00 0.00 72.50 71.95 3jur s THR 258 CO -0.26 -0.03 1.91 0.61 -0.54 0.00 0.00 174.62 176.31 3jur n GLY 259 N 0.60 -1.41 0.00 3.99 0.00 -0.61 -2.13 105.19 105.63 3jur n GLY 259 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.43 0.00 -4.71 1.61 -0.08 -1.20 -4.54 116.55 106.20 3jur n ASP 260 Ca 0.09 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.95 3jur n ASP 260 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 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 2.83 -0.05 1.67 8.00 -1.26 -2.22 116.55 125.52 3jur n ASP 261 Ca 0.00 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.67 3jur n ASP 261 Cb 0.00 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 39.59 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 2.43 0.00 -3.27 -2.24 0.02 -1.14 -2.20 113.55 107.16 3jur h SER 262 Ca -0.47 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.81 3jur h SER 262 Cb 1.28 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.49 3jur h SER 262 CO 0.62 0.52 -0.81 -0.69 -1.14 0.00 0.00 176.83 175.32 3jur s VAL 263 N -1.64 2.40 -0.15 2.27 1.01 -1.10 -0.90 120.40 122.30 3jur s VAL 263 Ca -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3jur s VAL 263 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.32 3jur s VAL 263 CO 0.04 0.41 -0.02 -0.69 0.00 0.00 0.00 175.10 174.84 3jur s VAL 264 N 1.31 0.78 -0.21 2.92 1.01 -0.11 -0.28 120.40 125.80 3jur s VAL 264 Ca 0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3jur s VAL 264 Cb -0.14 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3jur s VAL 264 CO -0.09 0.09 0.29 -0.63 0.00 0.00 0.00 175.10 174.76 3jur s ILE 265 N 1.78 5.27 0.31 2.22 1.01 0.15 -2.96 121.20 128.98 3jur s ILE 265 Ca 0.02 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.17 3jur s ILE 265 Cb -0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3jur s ILE 265 CO -0.07 0.30 0.13 -0.54 0.00 0.00 0.00 174.94 174.76 3jur s LYS 266 N 1.13 1.60 -0.27 2.79 1.02 0.25 -0.94 119.74 125.33 3jur s LYS 266 Ca 0.14 -1.91 0.09 0.00 0.02 0.00 0.00 55.97 54.31 3jur s LYS 266 Cb -0.14 -0.31 0.30 0.00 -0.52 0.00 0.00 37.83 37.16 3jur s LYS 266 CO 0.06 -0.38 1.26 -1.13 -0.92 0.00 0.00 175.35 174.24 3jur n SER 267 N -0.83 -1.17 0.00 2.83 3.41 0.64 -1.01 113.62 117.48 3jur n SER 267 Ca -0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3jur n SER 267 Cb 0.65 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.04 -0.78 3.32 5.00 0.00 -1.23 -1.92 105.19 108.54 3jur n GLY 268 Ca -0.13 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.94 3.24 3.01 1.61 3.52 0.08 -1.84 118.95 125.64 3jur s ARG 269 Ca 0.00 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 3jur s ARG 269 Cb 0.00 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 3jur s ARG 269 CO 0.00 0.21 0.00 -0.25 -0.81 0.00 0.00 175.30 174.45 3jur n ASP 270 N 3.50 0.00 -0.16 -2.12 8.00 -1.26 -2.03 116.55 122.47 3jur n ASP 270 Ca -0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.30 3jur n ASP 270 Cb 0.53 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.42 0.54 -0.56 2.24 0.00 -1.85 -0.59 119.26 118.62 3jur h ALA 271 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3jur h ALA 271 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3jur h ALA 271 CO 0.00 -0.34 0.36 0.22 0.00 0.00 0.00 179.25 179.49 3jur h ASP 272 N 0.19 0.61 -0.67 0.00 3.58 -1.73 0.31 116.42 118.72 3jur h ASP 272 Ca 0.26 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.65 3jur h ASP 272 Cb 0.37 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3jur h ASP 272 CO -0.37 0.44 0.24 1.23 -2.88 0.00 0.00 179.24 177.90 3jur h GLY 273 N 0.73 1.09 1.81 -0.78 0.00 -0.79 -1.87 103.07 103.26 3jur h GLY 273 Ca 0.21 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 3jur h GLY 273 CO -0.06 0.58 -0.41 3.21 0.00 0.00 0.00 176.54 179.86 3jur h ARG 274 N 0.96 0.21 0.17 4.80 3.08 -0.78 -0.79 114.38 122.03 3jur h ARG 274 Ca 0.22 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3jur h ARG 274 Cb 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3jur h ARG 274 CO -0.01 0.60 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.31 3jur h ARG 275 N 0.18 -0.23 -0.43 0.04 2.43 0.06 -3.17 114.38 113.26 3jur h ARG 275 Ca 0.02 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3jur h ARG 275 Cb 0.81 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3jur h ARG 275 CO 0.06 -0.07 -0.13 0.82 -1.51 0.00 0.00 179.97 179.14 3jur h ILE 276 N -0.34 1.27 -2.88 1.20 2.04 -1.34 -3.47 117.51 113.99 3jur h ILE 276 Ca -0.02 -1.25 -0.33 0.00 1.00 0.00 0.00 64.86 64.25 3jur h ILE 276 Cb 0.26 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3jur h ILE 276 CO 0.04 0.42 -0.45 0.61 0.00 0.00 0.00 178.15 178.77 3jur n GLY 277 N -0.17 -0.30 3.25 5.37 0.00 -0.31 -4.99 105.19 108.04 3jur n GLY 277 Ca -0.01 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.92 3.13 0.59 1.61 1.01 -1.26 -4.99 120.40 117.56 3jur s VAL 278 Ca 0.09 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 3jur s VAL 278 Cb -0.04 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3jur s VAL 278 CO 0.12 0.26 1.03 -2.16 0.00 0.00 0.00 175.10 174.35 3jur s PRO 279 N 1.39 3.51 -0.04 2.72 0.04 -1.00 -4.48 135.00 137.15 3jur s PRO 279 Ca 0.02 1.00 -0.25 0.00 0.04 0.00 0.00 61.00 61.81 3jur s PRO 279 Cb -0.16 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3jur s PRO 279 CO -0.04 -0.64 0.78 -1.12 0.04 0.00 0.00 177.00 176.02 3jur s SER 280 N -3.30 7.11 0.05 6.66 0.01 -0.83 -4.01 113.70 119.39 3jur s SER 280 Ca 0.60 1.34 -0.19 0.00 1.31 0.00 0.00 55.95 59.00 3jur s SER 280 Cb -0.13 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.69 3jur s SER 280 CO 0.41 -0.13 0.45 -1.83 0.41 0.00 0.00 173.24 172.54 3jur s GLU 281 N 0.74 0.97 -1.04 12.44 -1.05 -0.51 -1.92 118.70 128.34 3jur s GLU 281 Ca 0.41 -0.35 -0.11 0.00 -0.15 0.00 0.00 54.97 54.77 3jur s GLU 281 Cb -0.19 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 3jur s GLU 281 CO 0.21 -0.34 0.84 0.66 0.95 0.00 0.00 175.26 177.58 3jur n TYR 282 N 0.41 -2.31 -4.54 4.83 4.01 -0.05 -2.61 117.16 116.90 3jur n TYR 282 Ca -0.18 0.74 -0.33 0.00 -0.16 0.00 0.00 57.90 57.97 3jur n TYR 282 Cb 0.60 -3.84 -0.14 0.00 -0.31 0.00 0.00 39.34 35.66 3jur n TYR 282 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3jur s ILE 283 N -3.36 3.20 -0.19 -0.72 -1.09 -1.06 -1.96 121.20 116.02 3jur s ILE 283 Ca 0.40 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 3jur s ILE 283 Cb -0.09 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.41 3jur s ILE 283 CO 0.79 0.50 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.70 3jur s LEU 284 N 0.58 2.76 -0.27 2.97 2.96 0.47 -1.39 118.68 126.76 3jur s LEU 284 Ca -0.06 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3jur s LEU 284 Cb -0.15 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 44.93 3jur s LEU 284 CO 0.03 0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 3jur s VAL 285 N 1.17 1.89 -0.01 1.68 1.01 0.16 -0.43 120.40 125.86 3jur s VAL 285 Ca 0.02 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.29 3jur s VAL 285 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3jur s VAL 285 CO -0.02 -0.23 0.12 0.00 0.00 0.00 0.00 175.10 174.97 3jur s ARG 286 N 1.19 0.38 -1.59 2.72 1.70 -0.12 -0.92 118.95 122.31 3jur s ARG 286 Ca -0.02 -0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 54.95 3jur s ARG 286 Cb -0.19 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.36 3jur s ARG 286 CO -0.07 -0.08 0.45 -0.25 -1.08 0.00 0.00 175.30 174.27 3jur n ASP 287 N 1.89 -5.92 -4.97 -2.89 8.00 -0.93 -2.90 116.55 108.84 3jur n ASP 287 Ca -0.20 -0.22 -0.21 0.00 0.71 0.00 0.00 54.79 54.87 3jur n ASP 287 Cb 0.56 -4.82 -0.02 0.00 -0.02 0.00 0.00 41.12 36.83 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 -2.54 6.28 -0.18 -2.24 0.01 -1.26 -2.50 114.94 112.51 3jur s ASN 288 Ca 0.23 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 3jur s ASN 288 Cb -0.11 -1.83 0.04 0.00 0.41 0.00 0.00 41.25 39.77 3jur s ASN 288 CO 0.29 -0.15 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.44 3jur s LEU 289 N -4.06 1.86 -0.26 0.60 2.96 0.59 -1.26 118.68 119.11 3jur s LEU 289 Ca 0.36 -0.73 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3jur s LEU 289 Cb -0.09 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 3jur s LEU 289 CO 0.30 -0.16 0.06 -0.69 -1.32 0.00 0.00 176.35 174.54 3jur s VAL 290 N 1.54 4.10 -0.36 1.68 1.01 0.29 -0.85 120.40 127.81 3jur s VAL 290 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3jur s VAL 290 Cb -0.15 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.37 3jur s VAL 290 CO -0.08 0.28 0.12 -0.63 0.00 0.00 0.00 175.10 174.79 3jur s ILE 291 N 1.57 1.56 -0.29 2.22 1.01 -0.75 0.56 121.20 127.08 3jur s ILE 291 Ca 0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 60.65 58.61 3jur s ILE 291 Cb -0.16 -2.14 0.19 0.00 0.01 0.00 0.00 42.46 40.37 3jur s ILE 291 CO 0.02 -0.71 0.77 -0.55 0.00 0.00 0.00 174.94 174.47 3jur s SER 292 N 0.99 -1.15 0.38 3.58 0.15 -0.56 -4.48 113.70 112.61 3jur s SER 292 Ca 0.12 0.23 0.09 0.00 0.70 0.00 0.00 55.95 57.09 3jur s SER 292 Cb -0.20 1.76 0.77 0.00 -1.71 0.00 0.00 66.02 66.64 3jur s SER 292 CO -0.13 -0.21 1.91 -0.61 1.20 0.00 0.00 173.24 175.41 3jur h GLN 293 N 7.77 0.27 0.00 5.44 4.15 -1.78 -2.94 115.11 128.02 3jur h GLN 293 Ca -0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3jur h GLN 293 Cb 1.18 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3jur h GLN 293 CO 0.07 0.39 0.00 0.00 -1.93 0.00 0.00 178.83 177.36 3jur h ALA 294 N 1.63 1.00 -2.76 3.38 0.00 -1.85 -3.41 119.26 117.26 3jur h ALA 294 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.44 3jur h ALA 294 Cb 0.36 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.22 3jur h ALA 294 CO 0.02 0.00 0.86 0.45 0.00 0.00 0.00 179.25 180.58 3jur s SER 295 N -5.81 6.47 0.00 0.00 0.15 -0.91 -4.16 113.70 109.45 3jur s SER 295 Ca 0.06 2.83 0.27 0.00 0.70 0.00 0.00 55.95 59.81 3jur s SER 295 Cb 0.07 -2.63 0.87 0.00 -1.71 0.00 0.00 66.02 62.62 3jur s SER 295 CO 0.63 -0.85 1.67 1.41 1.20 0.00 0.00 173.24 177.30 3jur n HIS 296 N 2.49 0.00 0.00 3.44 -0.00 -0.94 -1.42 115.22 118.79 3jur n HIS 296 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 3jur n HIS 296 Cb 0.38 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3jur n HIS 296 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3jur n GLY 297 N 1.49 1.22 0.19 -1.41 0.00 -1.26 -3.79 105.19 101.65 3jur n GLY 297 Ca 0.06 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 3jur n GLY 297 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jur h GLY 298 N 0.00 -0.44 -6.20 -0.02 0.00 -0.66 0.27 103.07 96.03 3jur h GLY 298 Ca 0.00 0.16 -0.66 0.00 0.00 0.00 0.00 47.33 46.83 3jur h GLY 298 CO 0.00 -0.16 -0.79 -2.27 0.00 0.00 0.00 176.54 173.32 3jur s LEU 299 N -8.21 2.56 -0.03 3.11 2.96 0.05 -2.70 118.68 116.43 3jur s LEU 299 Ca -0.06 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 3jur s LEU 299 Cb 0.01 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 3jur s LEU 299 CO 0.18 0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.43 3jur s VAL 300 N 1.08 1.13 -0.12 1.68 1.01 0.61 -1.07 120.40 124.73 3jur s VAL 300 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3jur s VAL 300 Cb -0.15 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3jur s VAL 300 CO -0.03 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.56 3jur s ILE 301 N 0.01 2.36 0.00 2.22 -1.09 0.33 0.30 121.20 125.32 3jur s ILE 301 Ca -0.01 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3jur s ILE 301 Cb -0.09 -1.94 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 3jur s ILE 301 CO 0.01 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3jur n GLY 302 N 3.61 -1.93 0.19 6.18 0.00 -0.12 -1.71 105.19 111.42 3jur n GLY 302 Ca -0.19 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.14 3jur n GLY 302 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jur h SER 303 N 0.00 0.00 -0.89 1.61 4.64 -1.89 -3.44 113.55 113.58 3jur h SER 303 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3jur h SER 303 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 3jur h SER 303 CO 0.00 0.00 1.90 -1.61 -0.87 0.00 0.00 176.83 176.25 3jur s GLU 304 N -3.27 3.73 -0.09 4.77 8.01 -1.26 -4.61 118.70 125.98 3jur s GLU 304 Ca 0.07 -1.66 0.13 0.00 0.01 0.00 0.00 54.97 53.51 3jur s GLU 304 Cb 0.08 -5.46 0.26 0.00 -4.31 0.00 0.00 34.13 24.70 3jur s GLU 304 CO 0.61 -2.41 1.13 0.00 0.01 0.00 0.00 175.26 174.59 3jur n MET 305 N 8.53 0.77 0.29 1.61 0.00 -1.10 -0.26 117.12 126.96 3jur n MET 305 Ca 0.44 -2.19 0.19 0.00 0.00 0.00 0.00 57.70 56.14 3jur n MET 305 Cb 0.47 -1.00 0.95 0.00 0.00 0.00 0.00 33.22 33.65 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 0.37 0.00 0.46 3.17 0.02 -1.52 0.12 113.55 116.17 3jur h SER 306 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3jur h SER 306 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3jur h SER 306 CO 0.02 0.00 -0.29 0.61 -1.14 0.00 0.00 176.83 176.02 3jur n GLY 307 N -0.75 -1.04 0.00 -3.77 0.00 -0.81 -3.91 105.19 94.91 3jur n GLY 307 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.41 1.96 2.79 -0.02 0.00 0.42 -2.38 105.19 109.37 3jur n GLY 308 Ca 0.09 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.89 0.10 0.15 1.61 1.01 0.36 -1.96 120.40 119.78 3jur s VAL 309 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 3jur s VAL 309 Cb 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.17 3jur s VAL 309 CO 0.00 0.14 0.37 0.00 0.00 0.00 0.00 175.10 175.62 3jur s ARG 310 N 1.20 1.13 -0.91 2.72 1.70 -0.81 -1.42 118.95 122.56 3jur s ARG 310 Ca -0.07 -0.89 -0.05 0.00 -0.47 0.00 0.00 55.73 54.25 3jur s ARG 310 Cb -0.13 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 3jur s ARG 310 CO -0.02 -0.44 0.79 0.09 -1.08 0.00 0.00 175.30 174.64 3jur n ASN 311 N -0.23 -6.85 -4.13 -2.89 3.02 -0.76 -3.23 115.26 100.18 3jur n ASN 311 Ca -0.12 -0.49 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 3jur n ASN 311 Cb 0.63 -4.77 -0.17 0.00 -0.61 0.00 0.00 39.78 34.86 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 -3.20 1.81 -0.18 2.41 1.01 -0.85 -0.87 120.40 120.52 3jur s VAL 312 Ca 0.23 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3jur s VAL 312 Cb -0.04 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3jur s VAL 312 CO 0.77 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 175.52 3jur s VAL 313 N 0.81 2.41 -0.26 2.92 1.01 -0.49 -0.84 120.40 125.96 3jur s VAL 313 Ca -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3jur s VAL 313 Cb -0.16 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3jur s VAL 313 CO -0.00 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 3jur s ALA 314 N 1.26 2.67 -0.01 5.51 0.00 0.25 -0.66 121.76 130.77 3jur s ALA 314 Ca 0.03 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.44 3jur s ALA 314 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3jur s ALA 314 CO -0.09 -0.95 -0.02 0.50 0.00 0.00 0.00 175.76 175.20 3jur s ARG 315 N 1.26 0.24 -1.38 0.00 3.52 -0.10 -0.42 118.95 122.08 3jur s ARG 315 Ca -0.02 -0.08 -0.08 0.00 -0.13 0.00 0.00 55.73 55.42 3jur s ARG 315 Cb -0.18 -0.26 0.03 0.00 -1.56 0.00 0.00 34.95 32.98 3jur s ARG 315 CO -0.05 0.03 1.08 0.09 -0.81 0.00 0.00 175.30 175.65 3jur n ASN 316 N 3.18 -5.08 -4.86 -2.12 4.13 -0.84 -2.58 115.26 107.09 3jur n ASN 316 Ca -0.15 -0.63 -0.25 0.00 1.68 0.00 0.00 54.58 55.23 3jur n ASN 316 Cb 0.58 -4.71 -0.04 0.00 -1.54 0.00 0.00 39.78 34.06 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 -3.53 5.82 -0.13 6.41 0.01 -1.26 -2.19 114.94 120.08 3jur s ASN 317 Ca 0.49 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.63 3jur s ASN 317 Cb -0.22 -1.61 0.01 0.00 0.41 0.00 0.00 41.25 39.83 3jur s ASN 317 CO 0.76 0.04 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.49 3jur s VAL 318 N -1.80 2.15 -0.14 1.60 1.01 -0.39 -1.18 120.40 121.66 3jur s VAL 318 Ca 0.32 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3jur s VAL 318 Cb -0.10 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3jur s VAL 318 CO 0.25 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.42 3jur s TYR 319 N 0.69 2.73 -0.09 5.22 2.02 0.20 -0.55 117.35 127.56 3jur s TYR 319 Ca -0.10 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.61 3jur s TYR 319 Cb -0.16 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3jur s TYR 319 CO 0.01 -0.43 -0.13 -1.64 -1.57 0.00 0.00 175.55 171.79 3jur s MET 320 N 0.63 1.90 0.00 -0.62 -1.94 0.19 -0.30 119.30 119.16 3jur s MET 320 Ca -0.09 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 3jur s MET 320 Cb -0.16 -1.66 0.00 0.00 2.01 0.00 0.00 34.83 35.02 3jur s MET 320 CO 0.03 -0.07 0.00 0.09 -0.01 0.00 0.00 175.02 175.06 3jur n ASN 321 N 4.20 0.00 -4.69 3.03 3.02 -0.02 -1.49 115.26 119.31 3jur n ASN 321 Ca -0.19 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.03 3jur n ASN 321 Cb 0.51 -0.80 0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.83 2.07 0.15 2.41 -7.23 -1.12 -3.98 120.40 109.87 3jur s VAL 322 Ca 0.00 0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.10 3jur s VAL 322 Cb 0.00 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 3jur s VAL 322 CO 0.00 -0.03 1.50 -0.33 -0.31 0.00 0.00 175.10 175.94 3jur h GLU 323 N -1.32 0.94 -3.54 4.82 5.08 -1.47 -1.86 114.58 117.23 3jur h GLU 323 Ca -0.45 -0.47 -0.18 0.00 -1.00 0.00 0.00 59.36 57.27 3jur h GLU 323 Cb 1.28 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.30 3jur h GLU 323 CO 0.44 1.13 -0.56 1.03 -1.00 0.00 0.00 179.01 180.04 3jur s ARG 324 N -4.46 0.28 -0.13 2.33 0.52 -1.25 -0.93 118.95 115.31 3jur s ARG 324 Ca -0.11 -0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 3jur s ARG 324 Cb 0.12 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 3jur s ARG 324 CO 0.88 -0.06 -0.05 0.00 0.02 0.00 0.00 175.30 176.09 3jur h ALA 325 N 5.19 0.01 -3.26 2.13 0.00 -1.40 0.51 119.26 122.45 3jur h ALA 325 Ca -0.28 -0.32 -0.68 0.00 0.00 0.00 0.00 54.91 53.64 3jur h ALA 325 Cb 1.20 0.28 -0.33 0.00 0.00 0.00 0.00 17.79 18.94 3jur h ALA 325 CO 0.42 0.28 -0.86 -1.17 0.00 0.00 0.00 179.25 177.92 3jur s LEU 326 N -8.35 2.17 -0.05 0.00 2.96 -0.56 -0.77 118.68 114.08 3jur s LEU 326 Ca -0.09 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.26 3jur s LEU 326 Cb 0.01 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.28 3jur s LEU 326 CO 0.16 0.12 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.70 3jur s ARG 327 N 0.59 0.52 -0.15 1.98 3.52 -0.23 -0.94 118.95 124.25 3jur s ARG 327 Ca -0.12 0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 3jur s ARG 327 Cb -0.17 -0.79 0.01 0.00 -1.56 0.00 0.00 34.95 32.45 3jur s ARG 327 CO 0.03 -0.22 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.59 3jur s LEU 328 N 1.54 2.17 -0.02 -0.88 1.02 0.34 -0.51 118.68 122.33 3jur s LEU 328 Ca -0.02 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 53.56 3jur s LEU 328 Cb -0.13 -1.47 -0.00 0.00 0.02 0.00 0.00 46.19 44.61 3jur s LEU 328 CO -0.03 0.06 -0.09 -1.59 0.02 0.00 0.00 176.35 174.72 3jur s LYS 329 N 0.92 0.87 0.26 1.70 -2.85 -0.69 -0.21 119.74 119.73 3jur s LYS 329 Ca -0.04 -0.31 -0.20 0.00 -1.00 0.00 0.00 55.97 54.41 3jur s LYS 329 Cb -0.15 -0.82 0.06 0.00 -2.06 0.00 0.00 37.83 34.86 3jur s LYS 329 CO -0.04 0.15 0.91 -0.08 0.10 0.00 0.00 175.35 176.39 3jur s THR 330 N 0.03 0.00 0.30 3.79 -1.32 -0.19 -3.89 115.64 114.36 3jur s THR 330 Ca -0.00 -0.78 -0.06 0.00 -1.21 0.00 0.00 61.69 59.63 3jur s THR 330 Cb -0.07 -2.63 0.03 0.00 -1.51 0.00 0.00 72.50 68.32 3jur s THR 330 CO 0.00 0.00 0.51 -0.46 -2.21 0.00 0.00 174.62 172.46 3jur n ASN 331 N -1.07 -1.47 -0.17 8.08 0.23 -1.26 -1.25 115.26 118.36 3jur n ASN 331 Ca -0.05 -2.44 0.03 0.00 -0.53 0.00 0.00 54.58 51.59 3jur n ASN 331 Cb 0.60 2.57 0.15 0.00 -2.08 0.00 0.00 39.78 41.01 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 -1.58 0.48 0.04 0.53 3.41 -1.26 -2.40 113.62 112.84 3jur n SER 332 Ca -0.03 -1.89 0.02 0.00 -0.26 0.00 0.00 58.87 56.71 3jur n SER 332 Cb 0.48 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 3jur n SER 332 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jur n ARG 333 N -0.29 0.62 0.02 4.33 1.74 -1.26 -0.65 116.66 121.17 3jur n ARG 333 Ca 0.06 0.20 -0.19 0.00 -0.77 0.00 0.00 57.85 57.15 3jur n ARG 333 Cb 0.09 -1.80 -0.10 0.00 -1.02 0.00 0.00 32.46 29.63 3jur n ARG 333 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jur h ARG 334 N 0.00 0.56 0.00 5.56 2.47 -1.61 -3.42 114.38 117.94 3jur h ARG 334 Ca -0.14 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 57.99 3jur h ARG 334 Cb 1.50 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.98 3jur h ARG 334 CO 0.04 1.21 0.00 0.41 0.56 0.00 0.00 179.97 182.19 3jur n GLY 335 N 1.04 0.65 7.00 0.04 0.00 -0.15 -4.39 105.19 109.38 3jur n GLY 335 Ca -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.13 3.49 -0.02 0.00 -1.25 -4.33 105.19 102.95 3jur n GLY 336 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3jur n GLY 336 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jur s TYR 337 N 0.00 -0.56 -0.12 1.61 -0.85 -1.25 -1.76 117.35 114.42 3jur s TYR 337 Ca 0.00 0.73 -0.02 0.00 -0.52 0.00 0.00 57.07 57.26 3jur s TYR 337 Cb 0.00 0.48 0.04 0.00 0.38 0.00 0.00 41.96 42.86 3jur s TYR 337 CO 0.00 -0.66 0.00 -1.64 -1.52 0.00 0.00 175.55 171.74 3jur s MET 338 N -2.21 0.77 0.11 -3.49 -1.94 0.61 -0.49 119.30 112.66 3jur s MET 338 Ca -0.05 -0.15 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 3jur s MET 338 Cb -0.00 -1.50 0.01 0.00 2.01 0.00 0.00 34.83 35.35 3jur s MET 338 CO -0.00 -0.42 0.30 -1.83 -0.01 0.00 0.00 175.02 173.05 3jur s GLU 339 N 1.88 0.98 -1.15 2.03 -1.05 -0.51 -1.89 118.70 119.00 3jur s GLU 339 Ca 0.03 -0.86 -0.14 0.00 -0.15 0.00 0.00 54.97 53.85 3jur s GLU 339 Cb -0.14 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 3jur s GLU 339 CO -0.07 -0.35 0.80 0.09 0.95 0.00 0.00 175.26 176.68 3jur n ASN 340 N -0.15 -4.86 -4.37 0.83 3.02 0.08 -2.92 115.26 106.89 3jur n ASN 340 Ca -0.15 -0.91 -0.36 0.00 -0.03 0.00 0.00 54.58 53.13 3jur n ASN 340 Cb 0.63 -3.92 -0.13 0.00 -0.61 0.00 0.00 39.78 35.75 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 -3.49 3.87 -0.15 2.41 -1.09 -0.83 -1.83 121.20 120.07 3jur s ILE 341 Ca 0.39 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.34 3jur s ILE 341 Cb -0.11 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 3jur s ILE 341 CO 0.83 0.29 -0.11 -0.36 -1.23 0.00 0.00 174.94 174.35 3jur s PHE 342 N 1.53 2.86 -0.40 3.97 0.08 -0.02 -0.45 117.98 125.55 3jur s PHE 342 Ca 0.05 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.40 3jur s PHE 342 Cb -0.15 -1.91 0.12 0.00 -0.57 0.00 0.00 43.02 40.51 3jur s PHE 342 CO 0.01 -0.29 0.18 0.12 -0.10 0.00 0.00 175.22 175.14 3jur s PHE 343 N 0.61 2.16 -0.02 0.36 5.36 0.62 -0.59 117.98 126.47 3jur s PHE 343 Ca -0.06 -2.34 0.05 0.00 -0.96 0.00 0.00 56.93 53.62 3jur s PHE 343 Cb -0.15 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 3jur s PHE 343 CO 0.03 -0.82 -0.16 0.42 -1.46 0.00 0.00 175.22 173.22 3jur s ILE 344 N 0.73 1.31 -1.38 3.12 -1.09 0.44 -2.15 121.20 122.17 3jur s ILE 344 Ca 0.15 -0.69 -0.10 0.00 -2.23 0.00 0.00 60.65 57.78 3jur s ILE 344 Cb -0.22 -1.11 0.07 0.00 -1.58 0.00 0.00 42.46 39.62 3jur s ILE 344 CO -0.08 0.38 0.59 0.47 -1.23 0.00 0.00 174.94 175.07 3jur n ASP 345 N 2.86 -4.21 -4.95 3.58 8.00 -0.31 -1.99 116.55 119.52 3jur n ASP 345 Ca -0.16 -0.46 -0.23 0.00 0.71 0.00 0.00 54.79 54.65 3jur n ASP 345 Cb 0.54 -3.44 -0.01 0.00 -0.02 0.00 0.00 41.12 38.19 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 -2.83 6.13 -0.08 -2.24 0.01 -1.22 -2.68 114.94 112.03 3jur s ASN 346 Ca 0.44 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.89 3jur s ASN 346 Cb -0.23 -1.78 0.02 0.00 0.41 0.00 0.00 41.25 39.67 3jur s ASN 346 CO 0.55 -0.40 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.95 3jur s VAL 347 N -2.33 1.04 -0.15 1.60 1.01 -0.32 -2.27 120.40 118.97 3jur s VAL 347 Ca 0.42 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3jur s VAL 347 Cb -0.10 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.33 3jur s VAL 347 CO 0.35 0.35 -0.01 0.00 0.00 0.00 0.00 175.10 175.79 3jur s ALA 348 N 1.08 1.15 0.13 5.51 0.00 -0.55 0.60 121.76 129.68 3jur s ALA 348 Ca -0.07 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.36 3jur s ALA 348 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3jur s ALA 348 CO -0.01 -0.83 -0.24 0.14 0.00 0.00 0.00 175.76 174.82 3jur s VAL 349 N 1.78 2.06 -1.48 0.00 -7.23 0.59 -1.22 120.40 114.91 3jur s VAL 349 Ca 0.01 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 3jur s VAL 349 Cb -0.15 -1.85 0.06 0.00 0.56 0.00 0.00 36.38 35.00 3jur s VAL 349 CO -0.07 0.00 0.96 0.59 -0.31 0.00 0.00 175.10 176.27 3jur n ASN 350 N 0.89 -4.39 -4.75 4.85 3.02 -0.90 -0.84 115.26 113.14 3jur n ASN 350 Ca -0.18 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 3jur n ASN 350 Cb 0.54 -4.05 -0.02 0.00 -0.61 0.00 0.00 39.78 35.63 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 -3.36 2.87 -0.19 2.41 1.01 -0.40 -3.85 120.40 118.88 3jur s VAL 351 Ca 0.55 0.79 0.10 0.00 0.00 0.00 0.00 61.98 63.41 3jur s VAL 351 Cb -0.27 -3.50 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 3jur s VAL 351 CO 0.82 0.15 0.09 -1.54 0.00 0.00 0.00 175.10 174.62 3jur n SER 352 N 1.69 0.97 0.00 3.32 3.41 -0.70 -1.31 113.62 121.01 3jur n SER 352 Ca 0.03 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3jur n SER 352 Cb 0.42 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3jur n SER 352 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jur n GLU 353 N -3.03 0.00 -4.49 4.33 -0.58 -0.11 -3.47 120.64 113.29 3jur n GLU 353 Ca -0.35 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.17 3jur n GLU 353 Cb 1.08 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.79 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 1.38 0.04 3.49 8.01 -1.01 0.03 118.70 130.64 3jur s GLU 354 Ca 0.00 -0.35 -0.26 0.00 0.01 0.00 0.00 54.97 54.37 3jur s GLU 354 Cb 0.00 -1.20 -0.17 0.00 -4.31 0.00 0.00 34.13 28.45 3jur s GLU 354 CO 0.00 0.05 1.49 0.28 0.01 0.00 0.00 175.26 177.09 3jur h VAL 355 N 5.80 0.85 -3.17 2.63 2.07 -1.20 -3.22 116.25 120.01 3jur h VAL 355 Ca -0.33 -0.36 -0.60 0.00 0.82 0.00 0.00 66.70 66.23 3jur h VAL 355 Cb 1.18 1.07 -0.35 0.00 -1.52 0.00 0.00 31.29 31.66 3jur h VAL 355 CO 0.48 0.08 -0.84 -0.63 0.02 0.00 0.00 177.57 176.68 3jur s ILE 356 N -5.40 1.57 -0.09 4.57 1.01 -0.16 -1.50 121.20 121.20 3jur s ILE 356 Ca -0.15 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3jur s ILE 356 Cb 0.04 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.07 3jur s ILE 356 CO 0.62 0.46 -0.11 -0.60 0.00 0.00 0.00 174.94 175.31 3jur s ARG 357 N 1.30 1.73 -0.16 2.79 6.06 -0.12 -0.56 118.95 130.00 3jur s ARG 357 Ca 0.01 -0.38 0.00 0.00 -2.50 0.00 0.00 55.73 52.86 3jur s ARG 357 Cb -0.14 -1.56 0.02 0.00 0.06 0.00 0.00 34.95 33.34 3jur s ARG 357 CO -0.07 -0.10 -0.15 0.42 -2.50 0.00 0.00 175.30 172.90 3jur s ILE 358 N 1.10 1.65 -0.13 4.11 1.01 0.16 -0.51 121.20 128.60 3jur s ILE 358 Ca -0.06 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3jur s ILE 358 Cb -0.14 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3jur s ILE 358 CO -0.02 0.44 -0.08 0.21 0.00 0.00 0.00 174.94 175.50 3jur s ASN 359 N 1.45 2.42 -0.11 3.58 2.47 0.71 -0.79 114.94 124.67 3jur s ASN 359 Ca 0.04 -0.43 0.19 0.00 0.42 0.00 0.00 52.86 53.08 3jur s ASN 359 Cb -0.13 -0.89 0.72 0.00 -1.45 0.00 0.00 41.25 39.49 3jur s ASN 359 CO -0.11 -0.13 1.63 0.18 -3.72 0.00 0.00 177.10 174.95 3jur n LEU 360 N 4.91 4.73 -0.66 3.21 4.32 -0.34 -1.03 117.00 132.15 3jur n LEU 360 Ca -0.13 -2.44 0.06 0.00 -0.02 0.00 0.00 56.01 53.49 3jur n LEU 360 Cb 0.49 -0.57 0.18 0.00 -1.62 0.00 0.00 43.42 41.90 3jur n LEU 360 CO 0.17 0.82 0.34 0.54 -1.22 0.00 0.00 177.39 178.04 3jur n ARG 361 N 1.13 1.37 -1.59 3.23 1.74 -1.08 -4.09 116.66 117.36 3jur n ARG 361 Ca 0.26 -3.08 -0.52 0.00 -0.77 0.00 0.00 57.85 53.74 3jur n ARG 361 Cb 0.88 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.95 1.49 -0.98 -1.55 9.36 -0.38 -0.97 117.16 123.18 3jur n TYR 362 Ca 0.17 0.64 0.00 0.00 3.32 0.00 0.00 57.90 62.03 3jur n TYR 362 Cb 0.74 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 37.12 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 2.46 -5.54 -2.18 2.98 9.92 -1.26 -2.57 116.55 120.37 3jur n ASP 363 Ca 0.18 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.29 3jur n ASP 363 Cb 0.20 -3.23 -0.02 0.00 -0.64 0.00 0.00 41.12 37.42 3jur n ASP 363 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3jur n ASN 364 N -0.89 -4.39 -4.82 -2.24 3.02 -0.14 -4.98 115.26 100.83 3jur n ASN 364 Ca 0.00 0.19 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 3jur n ASN 364 Cb 0.44 -3.77 -0.06 0.00 -0.61 0.00 0.00 39.78 35.78 3jur n ASN 364 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3jur s GLU 365 N -4.59 4.14 0.14 3.52 2.02 -1.06 -5.09 118.70 117.77 3jur s GLU 365 Ca 0.00 0.68 0.06 0.00 0.02 0.00 0.00 54.97 55.73 3jur s GLU 365 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3jur s GLU 365 CO 0.00 0.56 -0.14 -1.21 0.02 0.00 0.00 175.26 174.49 3jur s GLU 366 N -1.48 1.07 0.00 1.61 2.02 -1.26 -4.06 118.70 116.60 3jur s GLU 366 Ca 0.33 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 54.02 3jur s GLU 366 Cb -0.18 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.13 3jur s GLU 366 CO 0.19 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.05 3jur n GLY 367 N 0.35 2.28 1.13 -1.39 0.00 -1.17 -4.62 105.19 101.77 3jur n GLY 367 Ca -0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 3jur n GLY 367 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jur n GLU 368 N 0.00 1.82 -3.68 1.61 4.71 -1.08 -4.69 120.64 119.34 3jur n GLU 368 Ca 0.00 -3.20 -0.29 0.00 -0.01 0.00 0.00 57.16 53.66 3jur n GLU 368 Cb 0.00 -1.80 -0.12 0.00 -1.01 0.00 0.00 31.44 28.50 3jur n GLU 368 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3jur s TYR 369 N -3.25 2.03 -0.08 -0.32 2.02 0.17 -5.04 117.35 112.88 3jur s TYR 369 Ca 0.44 -2.51 -0.30 0.00 -0.37 0.00 0.00 57.07 54.33 3jur s TYR 369 Cb 0.40 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3jur s TYR 369 CO -0.01 -0.76 1.49 -0.51 -1.57 0.00 0.00 175.55 174.20 3jur s LEU 370 N 0.06 4.28 0.33 -1.29 1.43 -1.26 -0.98 118.68 121.25 3jur s LEU 370 Ca 0.21 2.04 -0.27 0.00 -1.03 0.00 0.00 54.13 55.08 3jur s LEU 370 Cb -0.17 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 3jur s LEU 370 CO -0.05 -0.85 1.09 -2.16 0.23 0.00 0.00 176.35 174.61 3jur s PRO 371 N 3.65 4.43 -0.29 1.29 0.04 -1.26 -4.65 135.00 138.21 3jur s PRO 371 Ca 0.66 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 63.20 3jur s PRO 371 Cb -0.29 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3jur s PRO 371 CO 0.24 0.05 0.65 0.08 0.04 0.00 0.00 177.00 178.06 3jur s VAL 372 N -1.35 4.93 -0.19 -0.36 1.01 -0.72 -4.98 120.40 118.75 3jur s VAL 372 Ca 0.50 0.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 3jur s VAL 372 Cb -0.29 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.14 3jur s VAL 372 CO 0.36 -0.10 -0.05 -0.69 0.00 0.00 0.00 175.10 174.62 3jur s VAL 373 N 2.62 1.23 0.22 2.92 1.01 -1.26 -0.28 120.40 126.86 3jur s VAL 373 Ca 0.26 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 3jur s VAL 373 Cb -0.15 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.83 3jur s VAL 373 CO 0.11 0.05 0.62 0.00 0.00 0.00 0.00 175.10 175.89 3jur s ARG 374 N 1.57 1.53 -0.80 2.72 1.70 -0.79 -1.78 118.95 123.10 3jur s ARG 374 Ca -0.01 -0.82 -0.02 0.00 -0.47 0.00 0.00 55.73 54.41 3jur s ARG 374 Cb -0.16 0.58 -0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3jur s ARG 374 CO -0.07 -0.68 0.72 0.43 -1.08 0.00 0.00 175.30 174.62 3jur n SER 375 N -0.40 -7.24 -4.20 -2.89 7.64 -0.90 -3.37 113.62 102.27 3jur n SER 375 Ca -0.09 -0.29 -0.32 0.00 1.01 0.00 0.00 58.87 59.18 3jur n SER 375 Cb 0.62 -4.81 -0.17 0.00 -1.01 0.00 0.00 64.21 58.84 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 -3.06 2.00 -0.12 0.44 1.01 -0.97 -0.74 120.40 118.95 3jur s VAL 376 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3jur s VAL 376 Cb -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3jur s VAL 376 CO 0.77 0.55 -0.11 -0.36 0.00 0.00 0.00 175.10 175.95 3jur s PHE 377 N 0.48 1.78 -0.18 5.22 0.08 0.41 -1.15 117.98 124.62 3jur s PHE 377 Ca -0.16 -0.92 -0.00 0.00 0.12 0.00 0.00 56.93 55.97 3jur s PHE 377 Cb -0.17 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 3jur s PHE 377 CO 0.06 -0.55 -0.15 0.08 -0.10 0.00 0.00 175.22 174.56 3jur s VAL 378 N 1.49 2.54 -0.00 -0.44 1.01 0.14 -0.28 120.40 124.86 3jur s VAL 378 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3jur s VAL 378 Cb -0.13 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3jur s VAL 378 CO -0.08 0.51 -0.01 -0.75 0.00 0.00 0.00 175.10 174.77 3jur s LYS 379 N 1.19 0.09 -1.36 2.72 2.20 -0.91 -0.52 119.74 123.14 3jur s LYS 379 Ca 0.02 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.59 3jur s LYS 379 Cb -0.14 -0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.08 3jur s LYS 379 CO -0.07 -0.00 0.76 -1.71 -0.36 0.00 0.00 175.35 173.97 3jur n ASN 380 N 3.21 -1.98 -4.75 1.43 5.15 -0.69 -1.16 115.26 116.48 3jur n ASN 380 Ca -0.14 -0.81 -0.38 0.00 -0.60 0.00 0.00 54.58 52.64 3jur n ASN 380 Cb 0.58 -4.01 -0.06 0.00 -0.53 0.00 0.00 39.78 35.77 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 -6.82 4.35 -0.22 1.20 2.96 -1.25 -3.30 118.68 115.59 3jur s LEU 381 Ca 0.15 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 3jur s LEU 381 Cb -0.08 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 3jur s LEU 381 CO 0.82 0.07 -0.03 -0.54 -1.32 0.00 0.00 176.35 175.35 3jur s LYS 382 N 0.14 3.42 0.05 1.98 -0.14 -0.96 -1.45 119.74 122.79 3jur s LYS 382 Ca 0.27 -0.60 -0.00 0.00 -1.36 0.00 0.00 55.97 54.28 3jur s LYS 382 Cb -0.16 -3.04 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 3jur s LYS 382 CO 0.13 -0.17 -0.04 0.00 -0.76 0.00 0.00 175.35 174.51 3jur s ALA 383 N 1.44 0.54 -0.06 5.17 0.00 0.35 -1.48 121.76 127.72 3jur s ALA 383 Ca 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 3jur s ALA 383 Cb -0.14 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3jur s ALA 383 CO -0.02 -0.32 0.15 0.99 0.00 0.00 0.00 175.76 176.57 3jur s THR 384 N -3.54 -0.03 0.00 0.00 2.01 -0.35 -1.13 115.64 112.60 3jur s THR 384 Ca 0.05 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3jur s THR 384 Cb 0.05 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.32 3jur s THR 384 CO -0.08 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 3jur n GLY 385 N 3.77 0.14 0.00 4.40 0.00 0.57 -1.28 105.19 112.80 3jur n GLY 385 Ca -0.21 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3jur n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jur n GLY 386 N 0.36 3.57 0.16 -0.02 0.00 -0.43 -4.25 105.19 104.59 3jur n GLY 386 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 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 0.18 -4.15 1.61 1.57 -0.43 -0.66 116.57 114.69 3jur h LYS 387 Ca 0.00 -0.13 -0.34 0.00 -1.87 0.00 0.00 60.65 58.32 3jur h LYS 387 Cb 0.00 0.02 -0.30 0.00 0.08 0.00 0.00 32.23 32.03 3jur h LYS 387 CO 0.00 0.74 -0.75 0.71 -0.57 0.00 0.00 179.45 179.58 3jur s TYR 388 N -3.69 0.47 -0.09 -1.35 2.02 -0.62 -1.45 117.35 112.65 3jur s TYR 388 Ca -0.03 -0.09 -0.27 0.00 -0.37 0.00 0.00 57.07 56.30 3jur s TYR 388 Cb 0.12 -0.36 -0.23 0.00 -0.40 0.00 0.00 41.96 41.08 3jur s TYR 388 CO 0.79 -0.05 0.98 0.00 -1.57 0.00 0.00 175.55 175.69 3jur h ALA 389 N 6.40 -0.00 -3.23 3.71 0.00 -0.88 -1.18 119.26 124.08 3jur h ALA 389 Ca -0.32 -0.39 -0.49 0.00 0.00 0.00 0.00 54.91 53.72 3jur h ALA 389 Cb 1.18 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.59 3jur h ALA 389 CO 0.49 -0.11 -0.78 0.08 0.00 0.00 0.00 179.25 178.93 3jur s VAL 390 N -3.09 0.71 -0.23 0.00 1.01 -0.57 -0.98 120.40 117.23 3jur s VAL 390 Ca -0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3jur s VAL 390 Cb -0.01 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.62 3jur s VAL 390 CO 0.68 0.28 0.01 -0.60 0.00 0.00 0.00 175.10 175.47 3jur s ARG 391 N 1.83 1.04 -0.16 2.72 3.52 0.28 -0.78 118.95 127.40 3jur s ARG 391 Ca 0.05 -0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 54.87 3jur s ARG 391 Cb -0.13 -2.30 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 3jur s ARG 391 CO -0.07 -0.69 -0.07 0.42 -0.81 0.00 0.00 175.30 174.08 3jur s ILE 392 N 1.62 1.21 -0.21 4.11 1.01 0.28 -0.66 121.20 128.55 3jur s ILE 392 Ca -0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 3jur s ILE 392 Cb -0.18 -1.34 0.06 0.00 0.01 0.00 0.00 42.46 41.02 3jur s ILE 392 CO -0.10 0.18 0.00 -1.61 0.00 0.00 0.00 174.94 173.41 3jur s GLU 393 N 1.60 1.04 0.00 2.79 2.02 0.03 -1.16 118.70 125.02 3jur s GLU 393 Ca 0.01 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3jur s GLU 393 Cb -0.15 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3jur s GLU 393 CO -0.08 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 174.98 3jur n GLY 394 N 4.90 1.72 3.29 -1.39 0.00 0.70 -1.20 105.19 113.20 3jur n GLY 394 Ca -0.10 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 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 2.43 0.43 0.99 1.43 -0.83 -4.78 118.68 118.36 3jur s LEU 395 Ca 0.00 -0.86 0.12 0.00 -1.03 0.00 0.00 54.13 52.36 3jur s LEU 395 Cb 0.00 -0.66 0.99 0.00 0.03 0.00 0.00 46.19 46.55 3jur s LEU 395 CO 0.00 -0.11 2.01 1.05 0.23 0.00 0.00 176.35 179.53 3jur h GLU 396 N 3.31 0.42 -0.44 1.70 -0.00 -1.95 -1.63 114.58 115.99 3jur h GLU 396 Ca -0.40 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.36 58.80 3jur h GLU 396 Cb 1.20 -0.09 -0.08 0.00 -0.00 0.00 0.00 28.75 29.78 3jur h GLU 396 CO 0.52 0.27 0.07 0.27 -0.00 0.00 0.00 179.01 180.15 3jur n ASN 397 N -4.47 3.69 -2.71 3.06 6.94 -1.26 -4.74 115.26 115.77 3jur n ASN 397 Ca 0.07 -3.33 -0.05 0.00 -0.02 0.00 0.00 54.58 51.25 3jur n ASN 397 Cb 0.26 -0.64 0.05 0.00 -2.36 0.00 0.00 39.78 37.09 3jur n ASN 397 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3jur n ASP 398 N -0.64 -2.15 -4.76 0.53 2.03 -0.62 -5.10 116.55 105.85 3jur n ASP 398 Ca 0.32 -2.17 -0.39 0.00 0.52 0.00 0.00 54.79 53.07 3jur n ASP 398 Cb 1.10 1.19 0.01 0.00 -0.72 0.00 0.00 41.12 42.71 3jur n ASP 398 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jur s TYR 399 N 0.62 2.56 -0.04 -0.67 1.51 -1.20 -1.97 117.35 118.16 3jur s TYR 399 Ca 0.28 1.37 -0.30 0.00 -1.01 0.00 0.00 57.07 57.41 3jur s TYR 399 Cb 0.15 -3.75 -0.04 0.00 -0.11 0.00 0.00 41.96 38.21 3jur s TYR 399 CO -0.12 -2.51 1.34 0.08 -1.11 0.00 0.00 175.55 173.23 3jur s VAL 400 N -1.29 3.93 0.17 0.71 1.01 -0.77 -4.73 120.40 119.42 3jur s VAL 400 Ca 0.63 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.97 3jur s VAL 400 Cb -0.39 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3jur s VAL 400 CO 0.49 -0.02 -0.14 -0.54 0.00 0.00 0.00 175.10 174.89 3jur s LYS 401 N 2.58 1.91 -1.25 2.72 1.02 -0.73 -0.54 119.74 125.46 3jur s LYS 401 Ca 0.61 -1.30 -0.10 0.00 0.02 0.00 0.00 55.97 55.20 3jur s LYS 401 Cb -0.28 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 3jur s LYS 401 CO 0.24 0.44 0.67 -3.47 -0.92 0.00 0.00 175.35 172.31 3jur n ASP 402 N 0.22 -3.06 -4.64 2.83 2.03 -1.25 -2.19 116.55 110.49 3jur n ASP 402 Ca -0.12 -0.96 -0.37 0.00 0.52 0.00 0.00 54.79 53.86 3jur n ASP 402 Cb 0.55 -3.52 -0.09 0.00 -0.72 0.00 0.00 41.12 37.34 3jur n ASP 402 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3jur s ILE 403 N -3.65 5.30 -0.08 5.18 -1.09 -1.14 -2.12 121.20 123.59 3jur s ILE 403 Ca 0.24 0.32 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 3jur s ILE 403 Cb -0.08 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3jur s ILE 403 CO 0.85 0.28 -0.14 -0.22 -1.23 0.00 0.00 174.94 174.49 3jur s LEU 404 N 1.39 1.66 -0.14 2.97 2.96 -0.30 -0.27 118.68 126.96 3jur s LEU 404 Ca 0.10 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3jur s LEU 404 Cb -0.15 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.62 3jur s LEU 404 CO 0.07 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.29 3jur s ILE 405 N 0.79 2.13 0.04 6.68 1.01 -0.16 -0.68 121.20 131.00 3jur s ILE 405 Ca -0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 3jur s ILE 405 Cb -0.16 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3jur s ILE 405 CO 0.02 0.55 0.08 -0.94 0.00 0.00 0.00 174.94 174.65 3jur s SER 406 N 0.76 0.21 -1.47 3.58 1.04 0.32 -0.78 113.70 117.35 3jur s SER 406 Ca -0.08 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 3jur s SER 406 Cb -0.16 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.21 3jur s SER 406 CO -0.00 -0.51 0.48 0.47 0.98 0.00 0.00 173.24 174.66 3jur n ASP 407 N 0.74 -0.92 -4.21 7.02 8.00 -0.20 -1.70 116.55 125.29 3jur n ASP 407 Ca -0.19 -1.01 -0.24 0.00 0.71 0.00 0.00 54.79 54.06 3jur n ASP 407 Cb 0.59 -2.96 -0.14 0.00 -0.02 0.00 0.00 41.12 38.58 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 -3.84 1.46 -0.12 -3.53 2.01 -0.90 -2.75 115.64 107.97 3jur s THR 408 Ca 0.16 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.10 3jur s THR 408 Cb -0.08 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.18 3jur s THR 408 CO 0.90 0.19 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.28 3jur s ILE 409 N -0.74 1.25 -0.18 1.82 1.01 -0.53 -0.50 121.20 123.35 3jur s ILE 409 Ca 0.06 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3jur s ILE 409 Cb -0.08 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.20 3jur s ILE 409 CO 0.01 0.40 -0.15 -0.63 0.00 0.00 0.00 174.94 174.58 3jur s ILE 410 N 1.52 1.76 -0.03 2.92 1.01 -0.30 -0.49 121.20 127.59 3jur s ILE 410 Ca 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3jur s ILE 410 Cb -0.13 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3jur s ILE 410 CO -0.08 0.38 -0.10 -1.61 0.00 0.00 0.00 174.94 173.53 3jur s GLU 411 N 1.39 2.55 -0.08 2.79 2.02 -0.28 -2.91 118.70 124.18 3jur s GLU 411 Ca 0.03 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3jur s GLU 411 Cb -0.14 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.63 3jur s GLU 411 CO -0.10 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.21 3jur n GLY 412 N 2.00 0.48 3.74 -1.39 0.00 -1.26 -0.31 105.19 108.46 3jur n GLY 412 Ca -0.17 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.97 3.31 0.01 4.61 0.00 -1.26 -3.99 121.76 122.48 3jur s ALA 413 Ca 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 3jur s ALA 413 Cb 0.00 -3.20 -0.19 0.00 0.00 0.00 0.00 23.12 19.73 3jur s ALA 413 CO 0.00 0.11 1.37 -0.22 0.00 0.00 0.00 175.76 177.03 3jur h LYS 414 N 4.83 -0.04 -5.24 0.00 3.64 -1.19 -3.42 116.57 115.16 3jur h LYS 414 Ca -0.44 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.30 3jur h LYS 414 Cb 1.21 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.81 3jur h LYS 414 CO 0.70 0.31 -0.66 0.42 -2.27 0.00 0.00 179.45 177.94 3jur s ILE 415 N -4.75 3.91 -0.05 2.00 1.01 -0.53 -4.87 121.20 117.92 3jur s ILE 415 Ca -0.15 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 3jur s ILE 415 Cb 0.03 -2.73 -0.16 0.00 0.01 0.00 0.00 42.46 39.60 3jur s ILE 415 CO 0.66 0.47 0.89 0.28 0.00 0.00 0.00 174.94 177.24 3jur h SER 416 N 6.97 -0.16 -3.41 3.58 0.02 -1.24 0.95 113.55 120.27 3jur h SER 416 Ca -0.33 -0.38 -0.35 0.00 -0.84 0.00 0.00 61.79 59.88 3jur h SER 416 Cb 1.19 0.04 -0.36 0.00 0.14 0.00 0.00 62.40 63.41 3jur h SER 416 CO 0.62 0.40 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.28 3jur s VAL 417 N -3.42 0.05 -0.25 2.27 1.01 -0.65 -1.51 120.40 117.90 3jur s VAL 417 Ca -0.13 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3jur s VAL 417 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.19 3jur s VAL 417 CO 0.49 0.16 -0.06 -0.22 0.00 0.00 0.00 175.10 175.47 3jur s LEU 418 N 1.56 3.19 -0.09 3.92 0.20 0.04 -0.60 118.68 126.91 3jur s LEU 418 Ca -0.03 -0.85 0.02 0.00 0.69 0.00 0.00 54.13 53.97 3jur s LEU 418 Cb -0.13 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.97 3jur s LEU 418 CO -0.03 -0.12 -0.14 -0.22 -0.29 0.00 0.00 176.35 175.54 3jur s LEU 419 N 1.34 1.69 -0.06 -0.68 2.96 0.29 -0.56 118.68 123.66 3jur s LEU 419 Ca 0.01 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3jur s LEU 419 Cb -0.17 -0.98 0.03 0.00 0.50 0.00 0.00 46.19 45.58 3jur s LEU 419 CO -0.04 0.03 0.04 -0.70 -1.32 0.00 0.00 176.35 174.36 3jur s GLU 420 N 0.79 0.15 -1.00 1.98 2.12 -0.31 -0.61 118.70 121.82 3jur s GLU 420 Ca -0.12 0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.41 3jur s GLU 420 Cb -0.16 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.48 3jur s GLU 420 CO 0.02 -0.33 0.84 1.19 -0.54 0.00 0.00 175.26 176.43 3jur n PHE 421 N 5.25 -2.43 -3.86 5.30 3.72 -0.34 -0.22 117.46 124.88 3jur n PHE 421 Ca -0.04 0.82 -0.09 0.00 -0.05 0.00 0.00 57.45 58.09 3jur n PHE 421 Cb 0.50 -3.92 -0.04 0.00 -0.94 0.00 0.00 39.48 35.08 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 -3.31 0.10 -0.10 1.37 0.00 -1.11 -1.86 107.32 102.41 3jur s GLY 422 Ca 0.35 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.65 3jur s GLY 422 CO 0.78 -0.31 -0.17 -0.86 0.00 0.00 0.00 173.10 172.54 3jur s GLN 423 N -3.93 2.39 -0.07 2.90 -2.07 0.30 -1.68 119.66 117.49 3jur s GLN 423 Ca 0.14 -0.63 0.02 0.00 -1.82 0.00 0.00 55.36 53.06 3jur s GLN 423 Cb -0.03 -1.95 0.01 0.00 -1.09 0.00 0.00 33.01 29.96 3jur s GLN 423 CO 0.04 0.00 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.73 3jur s LEU 424 N 0.79 1.58 -0.07 2.60 2.96 -0.07 -2.89 118.68 123.58 3jur s LEU 424 Ca -0.10 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3jur s LEU 424 Cb -0.16 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 3jur s LEU 424 CO 0.01 0.01 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.09 3jur s GLY 425 N 0.83 1.55 -0.04 7.98 0.00 0.63 -1.16 107.32 117.11 3jur s GLY 425 Ca -0.11 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.68 3jur s GLY 425 CO 0.02 -0.66 -0.11 1.06 0.00 0.00 0.00 173.10 173.41 3jur s MET 426 N -0.55 1.27 -0.09 2.90 -1.94 0.11 -0.99 119.30 120.01 3jur s MET 426 Ca 0.08 -0.38 -0.01 0.00 -1.71 0.00 0.00 55.69 53.67 3jur s MET 426 Cb -0.12 -1.13 0.03 0.00 2.01 0.00 0.00 34.83 35.62 3jur s MET 426 CO 0.01 0.11 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.89 3jur s GLU 427 N 0.30 1.07 -1.13 2.03 2.02 0.04 -0.19 118.70 122.85 3jur s GLU 427 Ca -0.06 -0.08 -0.14 0.00 0.02 0.00 0.00 54.97 54.71 3jur s GLU 427 Cb -0.11 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 3jur s GLU 427 CO 0.01 -0.27 0.82 -1.71 0.02 0.00 0.00 175.26 174.14 3jur n ASN 428 N 4.97 -5.27 -4.35 -0.19 5.15 -0.20 -1.03 115.26 114.35 3jur n ASN 428 Ca -0.11 -0.90 -0.32 0.00 -0.60 0.00 0.00 54.58 52.66 3jur n ASN 428 Cb 0.50 -4.05 -0.15 0.00 -0.53 0.00 0.00 39.78 35.55 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 -3.47 2.47 -0.15 3.44 1.01 -0.52 -2.11 120.40 121.07 3jur s VAL 429 Ca 0.42 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3jur s VAL 429 Cb -0.11 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3jur s VAL 429 CO 0.82 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 175.68 3jur s ILE 430 N -0.34 2.39 -0.26 2.22 1.01 0.35 -0.14 121.20 126.42 3jur s ILE 430 Ca 0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3jur s ILE 430 Cb -0.12 -1.99 0.08 0.00 0.01 0.00 0.00 42.46 40.44 3jur s ILE 430 CO 0.02 0.53 0.06 -0.04 0.00 0.00 0.00 174.94 175.51 3jur s MET 431 N 0.89 0.75 3.70 2.79 -1.94 0.69 -1.15 119.30 125.04 3jur s MET 431 Ca -0.04 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 3jur s MET 431 Cb -0.15 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.64 3jur s MET 431 CO -0.02 -0.84 0.00 0.09 -0.01 0.00 0.00 175.02 174.24 3jur n ASN 432 N 4.92 0.00 -1.20 3.03 3.02 -1.14 -0.81 115.26 123.07 3jur n ASN 432 Ca -0.05 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.49 3jur n ASN 432 Cb 0.44 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.75 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 2.38 3.07 7.41 0.00 -1.26 -4.82 105.19 111.97 3jur n GLY 433 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.19 1.79 -0.03 1.61 0.01 0.01 -5.14 113.70 111.76 3jur s SER 434 Ca 0.22 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.23 3jur s SER 434 Cb 0.18 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 3jur s SER 434 CO 0.06 0.10 -0.15 0.00 0.41 0.00 0.00 173.24 173.66 3jur s ARG 435 N 0.20 1.43 -0.28 12.44 1.70 -1.26 -0.22 118.95 132.95 3jur s ARG 435 Ca -0.05 -0.53 0.02 0.00 -0.47 0.00 0.00 55.73 54.70 3jur s ARG 435 Cb -0.11 -1.30 0.07 0.00 -0.57 0.00 0.00 34.95 33.03 3jur s ARG 435 CO 0.02 0.26 -0.06 -0.06 -1.08 0.00 0.00 175.30 174.37 3jur s PHE 436 N -0.09 3.36 0.01 5.89 0.08 0.80 -4.97 117.98 123.05 3jur s PHE 436 Ca 0.00 -2.38 -0.25 0.00 0.12 0.00 0.00 56.93 54.42 3jur s PHE 436 Cb -0.09 -2.14 -0.17 0.00 -0.57 0.00 0.00 43.02 40.05 3jur s PHE 436 CO 0.01 -0.88 1.29 1.49 -0.10 0.00 0.00 175.22 177.03 3jur h GLU 437 N 7.78 -0.31 -2.97 0.44 4.81 -1.88 -1.16 114.58 121.29 3jur h GLU 437 Ca -0.17 0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.81 3jur h GLU 437 Cb 1.04 0.07 -0.35 0.00 0.63 0.00 0.00 28.75 30.14 3jur h GLU 437 CO 0.48 0.01 -0.61 0.21 -0.73 0.00 0.00 179.01 178.37 3jur s LYS 438 N -4.77 0.08 -0.06 1.92 2.20 -1.26 -1.03 119.74 116.83 3jur s LYS 438 Ca -0.14 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 56.09 3jur s LYS 438 Cb 0.02 -0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.03 3jur s LYS 438 CO 0.58 -0.34 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.86 3jur s LEU 439 N 2.33 1.95 -0.04 5.43 0.20 0.74 -4.99 118.68 124.29 3jur s LEU 439 Ca 0.03 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.44 3jur s LEU 439 Cb -0.12 -1.13 0.02 0.00 -0.43 0.00 0.00 46.19 44.52 3jur s LEU 439 CO -0.07 0.16 -0.06 -0.47 -0.29 0.00 0.00 176.35 175.62 3jur s TYR 440 N 0.14 0.84 -0.02 5.38 5.04 -1.26 0.05 117.35 127.53 3jur s TYR 440 Ca -0.08 -0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 3jur s TYR 440 Cb -0.14 -0.70 0.01 0.00 0.35 0.00 0.00 41.96 41.48 3jur s TYR 440 CO 0.04 -0.19 -0.02 0.42 -1.34 0.00 0.00 175.55 174.46 3jur s ILE 441 N 0.79 0.25 -0.11 3.14 1.01 -0.31 -5.01 121.20 120.95 3jur s ILE 441 Ca -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3jur s ILE 441 Cb -0.14 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.08 3jur s ILE 441 CO 0.01 0.11 -0.13 -0.70 0.00 0.00 0.00 174.94 174.23 3jur s GLU 442 N 0.42 2.05 0.00 2.79 2.12 -1.26 -0.90 118.70 123.92 3jur s GLU 442 Ca -0.04 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.80 3jur s GLU 442 Cb -0.07 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.49 3jur s GLU 442 CO -0.01 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 3jur n GLY 443 N 4.44 0.72 2.99 -1.50 0.00 -0.68 -5.01 105.19 106.16 3jur n GLY 443 Ca -0.18 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 0.57 -0.08 1.61 1.02 -1.26 -1.20 119.74 120.39 3jur s LYS 444 Ca 0.00 -0.28 -0.24 0.00 0.02 0.00 0.00 55.97 55.46 3jur s LYS 444 Cb 0.00 -0.54 0.06 0.00 -0.52 0.00 0.00 37.83 36.82 3jur s LYS 444 CO 0.00 0.15 0.57 0.00 -0.92 0.00 0.00 175.35 175.14 3jur s ALA 445 N -0.23 -1.45 -0.11 5.17 0.00 0.22 -4.99 121.76 120.36 3jur s ALA 445 Ca 0.02 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 3jur s ALA 445 Cb -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3jur s ALA 445 CO -0.00 -0.32 -0.05 -1.17 0.00 0.00 0.00 175.76 174.22 3jur s LEU 446 N -0.85 1.08 -0.18 0.00 2.96 -1.26 -0.55 118.68 119.89 3jur s LEU 446 Ca -0.09 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3jur s LEU 446 Cb -0.02 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.96 3jur s LEU 446 CO 0.06 -0.16 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.97 3jur s LEU 447 N 1.78 2.13 0.00 -0.68 1.02 0.23 -4.98 118.68 118.18 3jur s LEU 447 Ca 0.04 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.54 3jur s LEU 447 Cb -0.13 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.60 3jur s LEU 447 CO -0.07 0.01 0.00 2.29 0.02 0.00 0.00 176.35 178.59