#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ju3 s TYR 6 N 0.00 0.34 0.12 3.10 1.13 -1.26 -1.53 117.35 119.24 1ju3 s TYR 6 Ca 0.00 -0.74 0.05 0.00 -1.41 0.00 0.00 57.07 54.97 1ju3 s TYR 6 Cb 0.00 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 1ju3 s TYR 6 CO 0.00 -1.13 -0.12 -1.54 -2.51 0.00 0.00 175.55 170.25 1ju3 s SER 7 N -3.04 1.82 -0.10 -0.18 1.04 -0.39 -4.90 113.70 107.94 1ju3 s SER 7 Ca 0.21 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1ju3 s SER 7 Cb -0.02 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.08 1ju3 s SER 7 CO 0.11 -0.20 -0.10 -0.69 0.98 0.00 0.00 173.24 173.33 1ju3 s VAL 8 N -2.38 1.14 -0.21 5.02 1.01 -1.26 -1.27 120.40 122.45 1ju3 s VAL 8 Ca 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1ju3 s VAL 8 Cb -0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1ju3 s VAL 8 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.50 1ju3 s ALA 9 N 1.33 3.01 0.02 5.51 0.00 -0.31 -4.96 121.76 126.36 1ju3 s ALA 9 Ca -0.02 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 1ju3 s ALA 9 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1ju3 s ALA 9 CO -0.05 -0.27 0.29 -1.12 0.00 0.00 0.00 175.76 174.61 1ju3 s SER 10 N 1.22 6.50 -1.34 0.00 0.01 -1.26 -0.79 113.70 118.04 1ju3 s SER 10 Ca 0.03 0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.84 1ju3 s SER 10 Cb -0.15 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.00 1ju3 s SER 10 CO 0.01 0.23 0.75 0.59 0.41 0.00 0.00 173.24 175.23 1ju3 n ASN 11 N 1.01 -1.74 -4.66 2.44 3.02 -1.09 -4.97 115.26 109.27 1ju3 n ASN 11 Ca -0.10 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.22 1ju3 n ASN 11 Cb 0.53 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 1ju3 n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ju3 s VAL 12 N -3.61 4.75 -0.25 2.41 1.01 -0.14 -4.80 120.40 119.77 1ju3 s VAL 12 Ca 0.10 1.85 -0.24 0.00 0.00 0.00 0.00 61.98 63.70 1ju3 s VAL 12 Cb -0.05 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1ju3 s VAL 12 CO 0.81 -0.13 0.79 -0.04 0.00 0.00 0.00 175.10 176.53 1ju3 s MET 13 N 2.99 4.16 -0.30 2.72 1.00 -1.26 -0.85 119.30 127.77 1ju3 s MET 13 Ca 0.41 0.85 -0.09 0.00 0.00 0.00 0.00 55.69 56.86 1ju3 s MET 13 Cb -0.15 -3.65 -0.01 0.00 0.00 0.00 0.00 34.83 31.02 1ju3 s MET 13 CO 0.07 -0.50 0.13 0.08 0.00 0.00 0.00 175.02 174.80 1ju3 s VAL 14 N 2.78 4.45 0.12 -6.03 1.01 0.60 -4.90 120.40 118.42 1ju3 s VAL 14 Ca 0.33 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1ju3 s VAL 14 Cb -0.15 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1ju3 s VAL 14 CO 0.08 0.11 1.07 -2.16 0.00 0.00 0.00 175.10 174.19 1ju3 s PRO 15 N 1.59 4.58 0.67 2.72 0.04 -1.26 -0.62 135.00 142.72 1ju3 s PRO 15 Ca 0.04 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1ju3 s PRO 15 Cb -0.17 -3.34 0.09 0.00 0.04 0.00 0.00 34.50 31.12 1ju3 s PRO 15 CO 0.05 0.03 0.93 -1.64 0.04 0.00 0.00 177.00 176.41 1ju3 s MET 16 N 0.16 2.02 0.55 4.56 -1.94 0.17 -4.90 119.30 119.92 1ju3 s MET 16 Ca 0.51 -0.86 0.23 0.00 -1.71 0.00 0.00 55.69 53.87 1ju3 s MET 16 Cb -0.27 -2.35 1.49 0.00 2.01 0.00 0.00 34.83 35.72 1ju3 s MET 16 CO 0.32 -1.19 2.13 0.07 -0.01 0.00 0.00 175.02 176.34 1ju3 h ARG 17 N -0.36 0.00 -0.24 2.03 0.11 -1.92 -1.81 114.38 112.18 1ju3 h ARG 17 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1ju3 h ARG 17 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1ju3 h ARG 17 CO 0.47 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.14 1ju3 n ASP 18 N -4.20 2.36 0.00 0.08 5.75 -1.26 -4.94 116.55 114.33 1ju3 n ASP 18 Ca 0.00 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1ju3 n ASP 18 Cb 0.23 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1ju3 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ju3 n GLY 19 N 1.27 1.75 3.72 6.12 0.00 -0.68 -5.05 105.19 112.32 1ju3 n GLY 19 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ju3 n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ju3 s VAL 20 N -2.34 3.45 -0.21 1.61 1.01 -1.26 -4.68 120.40 117.98 1ju3 s VAL 20 Ca 0.00 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1ju3 s VAL 20 Cb 0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1ju3 s VAL 20 CO 0.00 0.12 0.11 -0.13 0.00 0.00 0.00 175.10 175.21 1ju3 s ARG 21 N 0.55 4.04 -0.13 2.72 0.52 -1.26 -0.66 118.95 124.72 1ju3 s ARG 21 Ca 0.59 -0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 55.44 1ju3 s ARG 21 Cb -0.35 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 1ju3 s ARG 21 CO 0.33 0.17 0.12 -0.51 0.02 0.00 0.00 175.30 175.43 1ju3 s LEU 22 N 0.72 4.27 -0.03 2.53 1.43 0.21 -1.66 118.68 126.15 1ju3 s LEU 22 Ca 0.06 0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 53.32 1ju3 s LEU 22 Cb -0.13 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1ju3 s LEU 22 CO 0.02 0.36 0.66 0.00 0.23 0.00 0.00 176.35 177.62 1ju3 s ALA 23 N -0.74 3.40 0.14 4.21 0.00 -1.26 -0.29 121.76 127.22 1ju3 s ALA 23 Ca 0.13 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1ju3 s ALA 23 Cb -0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1ju3 s ALA 23 CO 0.03 0.03 -0.15 0.14 0.00 0.00 0.00 175.76 175.81 1ju3 s VAL 24 N 0.27 1.50 -0.13 0.00 -7.23 -0.03 -1.41 120.40 113.38 1ju3 s VAL 24 Ca 0.35 -1.81 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1ju3 s VAL 24 Cb -0.18 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1ju3 s VAL 24 CO 0.18 -0.40 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.63 1ju3 s ASP 25 N -2.58 4.02 -0.28 4.85 1.01 0.19 -0.96 116.67 122.91 1ju3 s ASP 25 Ca 0.12 -0.32 -0.07 0.00 0.71 0.00 0.00 52.55 52.99 1ju3 s ASP 25 Cb -0.05 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1ju3 s ASP 25 CO 0.04 0.17 0.07 -0.76 0.21 0.00 0.00 175.17 174.90 1ju3 s LEU 26 N 0.34 3.73 -0.57 1.23 1.43 0.03 -1.83 118.68 123.04 1ju3 s LEU 26 Ca -0.11 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1ju3 s LEU 26 Cb -0.16 -1.88 0.14 0.00 0.03 0.00 0.00 46.19 44.32 1ju3 s LEU 26 CO 0.06 -0.15 0.47 -0.31 0.23 0.00 0.00 176.35 176.65 1ju3 s TYR 27 N 1.52 3.43 -0.12 0.29 1.51 0.43 -1.16 117.35 123.26 1ju3 s TYR 27 Ca 0.04 -1.80 -0.00 0.00 -1.01 0.00 0.00 57.07 54.29 1ju3 s TYR 27 Cb -0.17 -3.62 -0.02 0.00 -0.11 0.00 0.00 41.96 38.05 1ju3 s TYR 27 CO 0.02 -0.99 -0.10 1.03 -1.11 0.00 0.00 175.55 174.40 1ju3 s ARG 28 N 1.09 3.28 0.49 -0.62 0.52 -0.40 -0.73 118.95 122.58 1ju3 s ARG 28 Ca 0.08 -0.63 -0.21 0.00 -0.52 0.00 0.00 55.73 54.45 1ju3 s ARG 28 Cb -0.24 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.49 1ju3 s ARG 28 CO -0.01 0.32 1.07 -1.25 0.02 0.00 0.00 175.30 175.45 1ju3 s PRO 29 N 0.09 3.72 -1.19 3.54 0.04 -1.26 -1.26 135.00 138.68 1ju3 s PRO 29 Ca -0.04 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 1ju3 s PRO 29 Cb -0.14 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1ju3 s PRO 29 CO 0.04 -0.52 1.72 -0.51 0.04 0.00 0.00 177.00 177.77 1ju3 s ASP 30 N -1.83 6.37 0.36 6.66 1.01 -0.59 -4.88 116.67 123.77 1ju3 s ASP 30 Ca 0.67 -1.98 0.09 0.00 0.71 0.00 0.00 52.55 52.04 1ju3 s ASP 30 Cb -0.20 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.09 1ju3 s ASP 30 CO 0.24 -1.65 -0.02 0.00 0.21 0.00 0.00 175.17 173.94 1ju3 s ALA 31 N 5.85 3.12 0.08 5.23 0.00 -1.26 -4.91 121.76 129.88 1ju3 s ALA 31 Ca 0.55 -2.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 1ju3 s ALA 31 Cb 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 1ju3 s ALA 31 CO 0.04 0.03 1.41 0.38 0.00 0.00 0.00 175.76 177.62 1ju3 h ASP 32 N 1.86 0.64 -0.04 0.00 3.04 -2.04 -3.48 116.42 116.40 1ju3 h ASP 32 Ca -0.43 -0.46 0.00 0.00 -3.24 0.00 0.00 57.03 52.91 1ju3 h ASP 32 Cb 1.25 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 1ju3 h ASP 32 CO 0.71 0.96 0.00 0.61 -2.04 0.00 0.00 179.24 179.48 1ju3 n GLY 33 N 0.12 5.44 3.78 7.15 0.00 -1.26 -5.15 105.19 115.27 1ju3 n GLY 33 Ca -0.04 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1ju3 n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ju3 s PRO 34 N 1.81 3.47 0.17 1.61 0.04 -1.26 -4.93 135.00 135.90 1ju3 s PRO 34 Ca 0.00 1.51 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1ju3 s PRO 34 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ju3 s PRO 34 CO 0.00 -0.73 -0.11 0.14 0.04 0.00 0.00 177.00 176.34 1ju3 s VAL 35 N -1.89 1.36 0.48 -0.36 -7.23 0.13 -4.63 120.40 108.26 1ju3 s VAL 35 Ca 0.70 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 1ju3 s VAL 35 Cb -0.21 -1.94 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 1ju3 s VAL 35 CO 0.26 -0.68 1.11 -2.16 -0.31 0.00 0.00 175.10 173.32 1ju3 s PRO 36 N -3.72 3.72 0.07 4.82 0.04 -1.26 -1.56 135.00 137.12 1ju3 s PRO 36 Ca 0.19 1.60 0.10 0.00 0.04 0.00 0.00 61.00 62.93 1ju3 s PRO 36 Cb 0.02 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1ju3 s PRO 36 CO 0.03 -0.54 -0.26 0.08 0.04 0.00 0.00 177.00 176.34 1ju3 s VAL 37 N -1.71 2.14 -0.09 -0.36 1.01 -0.39 -1.02 120.40 119.98 1ju3 s VAL 37 Ca 0.66 -1.50 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1ju3 s VAL 37 Cb -0.24 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1ju3 s VAL 37 CO 0.28 0.26 -0.23 -0.76 0.00 0.00 0.00 175.10 174.65 1ju3 s LEU 38 N -1.52 2.05 -0.07 3.92 1.43 0.89 -0.15 118.68 125.22 1ju3 s LEU 38 Ca 0.12 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1ju3 s LEU 38 Cb -0.10 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1ju3 s LEU 38 CO 0.03 0.16 -0.11 -0.22 0.23 0.00 0.00 176.35 176.44 1ju3 s LEU 39 N 0.29 2.88 -0.09 1.79 2.96 0.31 -0.32 118.68 126.49 1ju3 s LEU 39 Ca -0.16 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1ju3 s LEU 39 Cb -0.17 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.92 1ju3 s LEU 39 CO 0.08 0.31 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.60 1ju3 s VAL 40 N -0.50 1.22 -0.30 1.68 1.01 0.24 -3.39 120.40 120.36 1ju3 s VAL 40 Ca 0.07 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1ju3 s VAL 40 Cb -0.12 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1ju3 s VAL 40 CO 0.02 0.38 0.08 -0.13 0.00 0.00 0.00 175.10 175.45 1ju3 s ARG 41 N 0.99 2.98 -0.11 2.72 0.52 -1.26 -0.86 118.95 123.93 1ju3 s ARG 41 Ca -0.08 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1ju3 s ARG 41 Cb -0.15 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1ju3 s ARG 41 CO -0.00 -0.49 -0.22 1.21 0.02 0.00 0.00 175.30 175.82 1ju3 s ASN 42 N 1.47 2.92 0.00 0.23 2.47 0.31 -4.29 114.94 118.05 1ju3 s ASN 42 Ca 0.02 -0.53 0.23 0.00 0.42 0.00 0.00 52.86 52.99 1ju3 s ASN 42 Cb -0.18 -1.34 0.48 0.00 -1.45 0.00 0.00 41.25 38.77 1ju3 s ASN 42 CO 0.02 0.12 1.43 -0.81 -3.72 0.00 0.00 177.10 174.14 1ju3 n PRO 43 N 3.71 2.43 -1.55 0.43 -0.04 -1.26 -1.81 135.00 136.91 1ju3 n PRO 43 Ca -0.20 -2.17 -0.18 0.00 -0.04 0.00 0.00 63.50 60.91 1ju3 n PRO 43 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 1ju3 n PRO 43 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ju3 n TYR 44 N 1.37 2.17 -1.28 0.54 4.01 -1.26 -4.94 117.16 117.76 1ju3 n TYR 44 Ca 0.19 -2.13 0.00 0.00 -0.16 0.00 0.00 57.90 55.80 1ju3 n TYR 44 Cb 0.57 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1ju3 n TYR 44 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ju3 n ASP 45 N -0.86 -4.19 0.27 7.72 -0.08 -1.26 -4.66 116.55 113.49 1ju3 n ASP 45 Ca 0.41 0.51 0.11 0.00 -1.51 0.00 0.00 54.79 54.31 1ju3 n ASP 45 Cb 0.90 -2.23 0.73 0.00 2.34 0.00 0.00 41.12 42.86 1ju3 n ASP 45 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ju3 h LYS 46 N 1.26 0.00 -0.12 -0.67 2.10 -1.85 -1.88 116.57 115.42 1ju3 h LYS 46 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1ju3 h LYS 46 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1ju3 h LYS 46 CO 0.00 0.06 -0.39 0.74 -2.00 0.00 0.00 179.45 177.86 1ju3 h PHE 47 N 0.00 0.29 -1.12 0.07 0.04 -1.95 -3.35 116.94 110.92 1ju3 h PHE 47 Ca -0.00 -0.07 -0.72 0.00 2.80 0.00 0.00 57.97 59.98 1ju3 h PHE 47 Cb 0.12 -0.07 -0.11 0.00 2.20 0.00 0.00 35.95 38.09 1ju3 h PHE 47 CO 0.00 0.61 2.17 -3.47 -0.60 0.00 0.00 178.31 177.01 1ju3 n ASP 48 N -4.05 4.80 0.10 2.17 -0.08 -0.71 -4.76 116.55 114.03 1ju3 n ASP 48 Ca -0.01 -2.96 -0.05 0.00 -1.51 0.00 0.00 54.79 50.26 1ju3 n ASP 48 Cb 0.46 -1.62 0.05 0.00 2.34 0.00 0.00 41.12 42.36 1ju3 n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ju3 h VAL 49 N 4.54 1.51 0.00 5.18 -1.51 -1.80 -3.29 116.25 120.88 1ju3 h VAL 49 Ca 0.43 -2.51 -0.06 0.00 -1.23 0.00 0.00 66.70 63.33 1ju3 h VAL 49 Cb 0.76 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 1ju3 h VAL 49 CO 1.54 0.72 -0.29 -0.26 -1.23 0.00 0.00 177.57 178.05 1ju3 h PHE 50 N 0.05 0.00 -0.56 5.19 0.04 -1.96 -2.49 116.94 117.21 1ju3 h PHE 50 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1ju3 h PHE 50 Cb 1.35 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.47 1ju3 h PHE 50 CO 0.01 0.29 0.22 0.00 -0.60 0.00 0.00 178.31 178.24 1ju3 h ALA 51 N 1.71 1.33 0.00 2.45 0.00 -1.98 -3.34 119.26 119.42 1ju3 h ALA 51 Ca -0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1ju3 h ALA 51 Cb 0.66 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1ju3 h ALA 51 CO 0.04 0.50 -1.72 -2.67 0.00 0.00 0.00 179.25 175.40 1ju3 n TRP 52 N -4.33 0.00 -0.10 0.00 4.27 -1.22 -4.73 117.44 111.33 1ju3 n TRP 52 Ca 0.05 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.84 1ju3 n TRP 52 Cb 0.17 -0.51 0.59 0.00 -1.36 0.00 0.00 31.31 30.19 1ju3 n TRP 52 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 1ju3 h SER 53 N 0.00 0.22 0.67 -0.67 0.02 -1.57 -1.40 113.55 110.82 1ju3 h SER 53 Ca -0.28 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ju3 h SER 53 Cb 1.62 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.13 1ju3 h SER 53 CO 0.01 0.11 0.00 0.71 -1.14 0.00 0.00 176.83 176.52 1ju3 h THR 54 N 0.23 0.00 -0.58 -2.27 1.35 -1.84 -0.98 112.91 108.82 1ju3 h THR 54 Ca 0.33 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1ju3 h THR 54 Cb 0.96 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1ju3 h THR 54 CO -0.07 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.20 1ju3 n GLN 55 N -2.49 3.23 0.00 4.72 3.00 -0.53 -4.85 117.38 120.47 1ju3 n GLN 55 Ca 0.01 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 1ju3 n GLN 55 Cb 0.21 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 28.78 1ju3 n GLN 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ju3 n SER 56 N 1.01 0.00 -3.81 1.08 2.88 -0.40 -4.83 113.62 109.56 1ju3 n SER 56 Ca 0.22 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1ju3 n SER 56 Cb 0.73 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 1ju3 n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ju3 s THR 57 N 0.14 0.08 -1.29 2.46 -4.23 -1.06 -4.75 115.64 106.99 1ju3 s THR 57 Ca 0.00 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1ju3 s THR 57 Cb 0.00 -1.48 0.15 0.00 1.34 0.00 0.00 72.50 72.51 1ju3 s THR 57 CO 0.00 -0.38 2.07 0.59 -0.54 0.00 0.00 174.62 176.36 1ju3 n ASN 58 N -0.19 6.32 0.12 3.99 5.03 -1.26 -4.76 115.26 124.51 1ju3 n ASN 58 Ca -0.12 -3.13 0.08 0.00 0.87 0.00 0.00 54.58 52.28 1ju3 n ASN 58 Cb 0.63 -1.42 0.43 0.00 -1.02 0.00 0.00 39.78 38.40 1ju3 n ASN 58 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 1ju3 n TRP 59 N 2.92 0.54 0.33 3.10 4.27 -1.26 -1.84 117.44 125.50 1ju3 n TRP 59 Ca 0.48 0.28 0.15 0.00 -3.89 0.00 0.00 57.50 54.53 1ju3 n TRP 59 Cb 0.31 -0.95 0.64 0.00 -1.36 0.00 0.00 31.31 29.95 1ju3 n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1ju3 h LEU 60 N 0.00 0.00 -0.93 5.67 3.38 -2.01 -1.45 115.31 119.98 1ju3 h LEU 60 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ju3 h LEU 60 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ju3 h LEU 60 CO 0.00 0.00 -0.45 -0.08 0.09 0.00 0.00 178.44 178.00 1ju3 h GLU 61 N 0.00 0.18 -0.60 1.13 4.81 -1.78 -1.17 114.58 117.14 1ju3 h GLU 61 Ca 0.00 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1ju3 h GLU 61 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1ju3 h GLU 61 CO 0.00 0.60 -0.02 0.74 -0.73 0.00 0.00 179.01 179.61 1ju3 h PHE 62 N 0.15 1.18 -0.20 0.92 0.04 -1.46 -1.24 116.94 116.32 1ju3 h PHE 62 Ca 0.01 -0.21 -0.16 0.00 2.80 0.00 0.00 57.97 60.41 1ju3 h PHE 62 Cb 0.86 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1ju3 h PHE 62 CO 0.01 1.04 -0.53 0.28 -0.60 0.00 0.00 178.31 178.51 1ju3 h VAL 63 N 0.98 1.31 0.00 -0.55 2.07 -1.45 0.10 116.25 118.71 1ju3 h VAL 63 Ca 0.17 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1ju3 h VAL 63 Cb 0.58 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1ju3 h VAL 63 CO 0.03 0.55 -0.19 0.03 0.02 0.00 0.00 177.57 178.02 1ju3 h ARG 64 N 0.46 0.00 -0.25 1.57 3.08 -1.04 -2.70 114.38 115.50 1ju3 h ARG 64 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ju3 h ARG 64 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1ju3 h ARG 64 CO 0.10 0.19 0.00 -0.25 -1.07 0.00 0.00 179.97 178.94 1ju3 n ASP 65 N -3.36 2.48 0.00 7.04 8.00 -0.49 -4.67 116.55 125.56 1ju3 n ASP 65 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1ju3 n ASP 65 Cb 0.41 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1ju3 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ju3 n GLY 66 N 1.30 1.08 3.91 0.44 0.00 -0.99 -5.05 105.19 105.89 1ju3 n GLY 66 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ju3 n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ju3 s TYR 67 N -2.00 3.52 -0.08 1.61 1.51 -0.01 -4.35 117.35 117.55 1ju3 s TYR 67 Ca 0.00 0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 56.26 1ju3 s TYR 67 Cb 0.00 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1ju3 s TYR 67 CO 0.00 0.59 0.23 0.00 -1.11 0.00 0.00 175.55 175.26 1ju3 s ALA 68 N -1.49 3.81 -0.10 3.71 0.00 -0.19 -3.89 121.76 123.61 1ju3 s ALA 68 Ca 0.34 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1ju3 s ALA 68 Cb -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ju3 s ALA 68 CO 0.26 0.56 -0.22 0.08 0.00 0.00 0.00 175.76 176.44 1ju3 s VAL 69 N -1.01 1.95 -0.20 0.00 1.01 0.09 -0.08 120.40 122.16 1ju3 s VAL 69 Ca 0.18 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1ju3 s VAL 69 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1ju3 s VAL 69 CO 0.07 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.90 1ju3 s VAL 70 N 0.46 2.85 -0.16 2.92 1.01 0.57 -0.42 120.40 127.61 1ju3 s VAL 70 Ca -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1ju3 s VAL 70 Cb -0.17 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1ju3 s VAL 70 CO 0.07 0.48 -0.13 -0.63 0.00 0.00 0.00 175.10 174.89 1ju3 s ILE 71 N 1.29 2.88 -0.01 2.22 1.01 -0.76 -0.59 121.20 127.25 1ju3 s ILE 71 Ca 0.04 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1ju3 s ILE 71 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1ju3 s ILE 71 CO -0.06 0.50 -0.17 -1.58 0.00 0.00 0.00 174.94 173.63 1ju3 s GLN 72 N 0.82 2.28 -0.10 2.79 0.74 -0.04 -0.64 119.66 125.50 1ju3 s GLN 72 Ca -0.04 -0.84 -0.25 0.00 0.05 0.00 0.00 55.36 54.27 1ju3 s GLN 72 Cb -0.15 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 1ju3 s GLN 72 CO 0.00 0.58 0.80 -0.51 -0.55 0.00 0.00 175.29 175.62 1ju3 s ASP 73 N -1.02 7.03 0.82 6.67 1.01 -0.50 -0.53 116.67 130.14 1ju3 s ASP 73 Ca 0.13 1.25 -0.11 0.00 0.71 0.00 0.00 52.55 54.53 1ju3 s ASP 73 Cb -0.10 -2.45 0.09 0.00 1.01 0.00 0.00 42.92 41.46 1ju3 s ASP 73 CO 0.02 -0.27 1.10 0.42 0.21 0.00 0.00 175.17 176.66 1ju3 s THR 74 N 1.46 2.98 -0.01 -1.27 -4.23 -0.75 -4.37 115.64 109.45 1ju3 s THR 74 Ca 0.40 0.32 -0.38 0.00 -1.18 0.00 0.00 61.69 60.85 1ju3 s THR 74 Cb -0.18 -2.71 -0.17 0.00 1.34 0.00 0.00 72.50 70.79 1ju3 s THR 74 CO 0.17 -0.42 1.43 -1.14 -0.54 0.00 0.00 174.62 174.12 1ju3 n ARG 75 N -3.73 1.09 -0.98 3.99 0.63 -1.26 -2.42 116.66 113.99 1ju3 n ARG 75 Ca 0.09 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1ju3 n ARG 75 Cb 0.53 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.40 1ju3 n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ju3 n GLY 76 N 2.89 0.81 3.30 5.14 0.00 -0.39 -3.78 105.19 113.16 1ju3 n GLY 76 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1ju3 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ju3 s LEU 77 N 0.00 2.08 0.00 0.99 1.43 -1.01 -4.34 118.68 117.82 1ju3 s LEU 77 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1ju3 s LEU 77 Cb 0.00 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1ju3 s LEU 77 CO 0.00 0.29 0.00 0.49 0.23 0.00 0.00 176.35 177.36 1ju3 n PHE 78 N 2.31 0.00 1.46 0.29 3.72 -1.26 -1.92 117.46 122.06 1ju3 n PHE 78 Ca -0.16 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.39 1ju3 n PHE 78 Cb 0.52 0.00 0.74 0.00 -0.94 0.00 0.00 39.48 39.79 1ju3 n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ju3 n ALA 79 N 10.38 2.57 -2.15 4.37 0.00 -1.26 -4.86 120.51 129.56 1ju3 n ALA 79 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 1ju3 n ALA 79 Cb 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 1ju3 n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ju3 s SER 80 N -2.51 6.78 0.82 0.00 0.01 -0.81 -4.39 113.70 113.61 1ju3 s SER 80 Ca 0.30 1.27 -0.07 0.00 1.31 0.00 0.00 55.95 58.76 1ju3 s SER 80 Cb 0.20 -2.37 0.16 0.00 0.21 0.00 0.00 66.02 64.23 1ju3 s SER 80 CO 0.46 -0.18 1.13 -1.61 0.41 0.00 0.00 173.24 173.45 1ju3 s GLU 81 N -2.91 1.23 0.48 12.44 2.02 -0.66 -4.12 118.70 127.17 1ju3 s GLU 81 Ca 0.53 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1ju3 s GLU 81 Cb -0.11 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1ju3 s GLU 81 CO 0.18 -1.86 0.00 0.41 0.02 0.00 0.00 175.26 174.00 1ju3 n GLY 82 N -3.23 -2.06 3.41 -1.39 0.00 -1.26 -1.27 105.19 99.40 1ju3 n GLY 82 Ca 0.15 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 1ju3 n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ju3 s GLU 83 N -0.11 2.67 -0.15 1.61 0.41 -1.26 -3.94 118.70 117.92 1ju3 s GLU 83 Ca 0.00 -0.74 -0.19 0.00 -0.41 0.00 0.00 54.97 53.63 1ju3 s GLU 83 Cb 0.00 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 1ju3 s GLU 83 CO 0.00 0.50 0.53 0.12 -0.49 0.00 0.00 175.26 175.92 1ju3 s PHE 84 N -0.42 3.45 -0.11 1.61 5.36 -1.25 -4.34 117.98 122.29 1ju3 s PHE 84 Ca 0.05 0.88 -0.04 0.00 -0.96 0.00 0.00 56.93 56.85 1ju3 s PHE 84 Cb -0.12 -2.65 0.06 0.00 -0.34 0.00 0.00 43.02 39.97 1ju3 s PHE 84 CO 0.02 0.02 0.23 0.08 -1.46 0.00 0.00 175.22 174.10 1ju3 s VAL 85 N 1.18 -0.28 0.39 3.12 1.01 -1.26 -5.05 120.40 119.50 1ju3 s VAL 85 Ca 0.27 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 1ju3 s VAL 85 Cb -0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 36.38 35.74 1ju3 s VAL 85 CO 0.11 0.11 1.28 -2.65 0.00 0.00 0.00 175.10 173.95 1ju3 n PRO 86 N 5.06 2.02 0.00 2.72 -0.02 -1.26 -4.10 135.00 139.43 1ju3 n PRO 86 Ca -0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ju3 n PRO 86 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1ju3 n PRO 86 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ju3 n HIS 87 N -0.01 0.00 0.15 6.00 8.25 -1.26 -4.74 115.22 123.60 1ju3 n HIS 87 Ca 0.06 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.70 1ju3 n HIS 87 Cb 0.38 0.00 0.78 0.00 1.12 0.00 0.00 29.99 32.27 1ju3 n HIS 87 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 1ju3 h VAL 88 N 0.00 0.49 -0.00 1.59 -1.51 -1.99 -2.82 116.25 112.01 1ju3 h VAL 88 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ju3 h VAL 88 Cb 0.00 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1ju3 h VAL 88 CO 0.00 0.00 -0.43 0.47 -1.23 0.00 0.00 177.57 176.38 1ju3 n ASP 89 N -3.87 1.03 0.21 4.19 8.00 -1.26 -4.69 116.55 120.15 1ju3 n ASP 89 Ca 0.04 -1.02 0.05 0.00 0.71 0.00 0.00 54.79 54.57 1ju3 n ASP 89 Cb 0.44 0.73 0.44 0.00 -0.02 0.00 0.00 41.12 42.71 1ju3 n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ju3 h ASP 90 N 0.77 0.00 0.01 -2.24 3.32 -1.86 -1.11 116.42 115.31 1ju3 h ASP 90 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ju3 h ASP 90 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1ju3 h ASP 90 CO 0.00 0.29 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.47 1ju3 h GLU 91 N 0.00 -0.01 -0.29 3.56 5.08 -1.78 -1.71 114.58 119.42 1ju3 h GLU 91 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1ju3 h GLU 91 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ju3 h GLU 91 CO 0.04 0.37 -0.19 0.00 -1.00 0.00 0.00 179.01 178.23 1ju3 h ALA 92 N 0.58 0.41 -0.21 3.43 0.00 -1.87 -2.29 119.26 119.31 1ju3 h ALA 92 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1ju3 h ALA 92 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ju3 h ALA 92 CO 0.00 0.34 -0.18 -0.44 0.00 0.00 0.00 179.25 178.98 1ju3 h ASP 93 N 0.38 0.35 -0.20 0.00 3.32 -1.27 -1.57 116.42 117.43 1ju3 h ASP 93 Ca 0.06 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.85 1ju3 h ASP 93 Cb 0.73 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1ju3 h ASP 93 CO 0.05 0.55 -0.51 0.00 -1.72 0.00 0.00 179.24 177.62 1ju3 h ALA 94 N 1.48 0.33 -0.43 3.45 0.00 -1.25 -1.84 119.26 121.01 1ju3 h ALA 94 Ca 0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ju3 h ALA 94 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ju3 h ALA 94 CO 0.03 0.51 0.25 1.49 0.00 0.00 0.00 179.25 181.54 1ju3 h GLU 95 N 0.40 0.58 -0.15 0.00 4.81 -1.14 0.18 114.58 119.26 1ju3 h GLU 95 Ca -0.01 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1ju3 h GLU 95 Cb 1.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1ju3 h GLU 95 CO 0.11 0.44 -0.36 -0.44 -0.73 0.00 0.00 179.01 178.03 1ju3 h ASP 96 N 0.56 0.32 -0.13 1.04 3.32 -1.30 -1.29 116.42 118.95 1ju3 h ASP 96 Ca 0.15 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 1ju3 h ASP 96 Cb 0.02 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ju3 h ASP 96 CO -0.03 0.66 -0.60 0.74 -1.72 0.00 0.00 179.24 178.29 1ju3 h THR 97 N 0.27 1.33 -0.75 0.35 2.02 -1.00 -2.09 112.91 113.03 1ju3 h THR 97 Ca 0.03 -1.87 -0.05 0.00 0.77 0.00 0.00 66.41 65.29 1ju3 h THR 97 Cb 0.76 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 1ju3 h THR 97 CO 0.06 0.57 0.27 -0.07 0.37 0.00 0.00 175.52 176.72 1ju3 h LEU 98 N 0.29 1.06 -0.73 2.58 3.38 -0.84 -0.87 115.31 120.19 1ju3 h LEU 98 Ca -0.04 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1ju3 h LEU 98 Cb 1.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1ju3 h LEU 98 CO 0.12 0.96 0.12 0.28 0.09 0.00 0.00 178.44 180.02 1ju3 h SER 99 N 1.10 1.04 -0.30 -0.43 0.02 -1.23 -1.77 113.55 111.99 1ju3 h SER 99 Ca 0.25 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1ju3 h SER 99 Cb 0.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1ju3 h SER 99 CO -0.01 1.02 -0.02 -0.25 -1.14 0.00 0.00 176.83 176.43 1ju3 h TRP 100 N 1.02 0.59 -0.51 3.45 7.01 -0.97 -2.66 115.95 123.88 1ju3 h TRP 100 Ca 0.21 -0.11 0.04 0.00 2.11 0.00 0.00 58.89 61.13 1ju3 h TRP 100 Cb 0.42 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.29 1ju3 h TRP 100 CO 0.03 0.70 0.28 0.82 -2.79 0.00 0.00 178.44 177.47 1ju3 h ILE 101 N 0.32 0.99 0.00 2.65 2.04 -0.93 -2.09 117.51 120.49 1ju3 h ILE 101 Ca 0.08 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1ju3 h ILE 101 Cb 0.48 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1ju3 h ILE 101 CO 0.02 0.10 -0.09 -0.07 0.00 0.00 0.00 178.15 178.11 1ju3 h LEU 102 N 0.54 0.00 0.00 1.44 3.38 -1.21 -2.07 115.31 117.39 1ju3 h LEU 102 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ju3 h LEU 102 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ju3 h LEU 102 CO -0.14 0.09 -0.11 -0.33 0.09 0.00 0.00 178.44 178.04 1ju3 h GLU 103 N 0.00 0.00 -7.09 1.13 5.08 -1.02 -3.45 114.58 109.23 1ju3 h GLU 103 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1ju3 h GLU 103 Cb 0.21 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.52 1ju3 h GLU 103 CO 0.01 0.00 0.42 -0.65 -1.00 0.00 0.00 179.01 177.79 1ju3 s GLN 104 N -3.20 3.44 0.51 2.33 -1.52 -0.78 -4.96 119.66 115.49 1ju3 s GLN 104 Ca 0.07 1.52 0.19 0.00 -1.95 0.00 0.00 55.36 55.19 1ju3 s GLN 104 Cb 0.07 -2.03 1.29 0.00 -0.22 0.00 0.00 33.01 32.13 1ju3 s GLN 104 CO 0.67 -0.76 2.11 0.00 -0.25 0.00 0.00 175.29 177.06 1ju3 h ALA 105 N 1.21 1.77 -0.03 6.09 0.00 -1.91 -2.79 119.26 123.61 1ju3 h ALA 105 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ju3 h ALA 105 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ju3 h ALA 105 CO 0.57 0.08 0.00 -2.67 0.00 0.00 0.00 179.25 177.24 1ju3 n TRP 106 N -4.29 0.01 -4.00 0.00 4.27 -1.26 -4.38 117.44 107.79 1ju3 n TRP 106 Ca -0.03 -0.01 -0.35 0.00 -3.89 0.00 0.00 57.50 53.23 1ju3 n TRP 106 Cb 0.15 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.00 1ju3 n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ju3 n ASP 108 N 3.57 1.54 0.00 0.00 5.68 -0.60 -4.72 116.55 122.03 1ju3 n ASP 108 Ca -0.17 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1ju3 n ASP 108 Cb 0.52 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1ju3 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ju3 n GLY 109 N 1.03 0.69 3.10 6.12 0.00 -1.26 -5.01 105.19 109.86 1ju3 n GLY 109 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1ju3 n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ju3 s ASN 110 N -2.66 3.83 0.01 1.61 0.01 -1.26 -4.58 114.94 111.90 1ju3 s ASN 110 Ca 0.00 -1.02 0.08 0.00 -0.71 0.00 0.00 52.86 51.21 1ju3 s ASN 110 Cb 0.00 -1.52 -0.02 0.00 0.41 0.00 0.00 41.25 40.11 1ju3 s ASN 110 CO 0.00 -0.10 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.55 1ju3 s VAL 111 N 1.20 1.97 0.30 1.60 1.01 0.36 -1.26 120.40 125.58 1ju3 s VAL 111 Ca -0.02 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1ju3 s VAL 111 Cb -0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1ju3 s VAL 111 CO -0.09 0.45 0.12 -0.83 0.00 0.00 0.00 175.10 174.75 1ju3 s GLY 112 N -0.87 2.01 0.03 4.51 0.00 0.78 -0.54 107.32 113.24 1ju3 s GLY 112 Ca 0.10 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.00 1ju3 s GLY 112 CO 0.00 -1.64 0.08 1.06 0.00 0.00 0.00 173.10 172.61 1ju3 s MET 113 N -3.89 0.52 0.17 2.90 -1.94 -0.91 -0.53 119.30 115.63 1ju3 s MET 113 Ca 0.35 -0.67 -0.16 0.00 -1.71 0.00 0.00 55.69 53.51 1ju3 s MET 113 Cb 0.06 0.20 0.02 0.00 2.01 0.00 0.00 34.83 37.13 1ju3 s MET 113 CO 0.16 -0.12 0.45 -0.59 -0.01 0.00 0.00 175.02 174.91 1ju3 s PHE 114 N -2.21 -0.04 0.00 -0.03 -0.71 -1.22 -1.20 117.98 112.57 1ju3 s PHE 114 Ca -0.08 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 1ju3 s PHE 114 Cb -0.04 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1ju3 s PHE 114 CO -0.03 -0.83 0.00 0.41 -1.34 0.00 0.00 175.22 173.43 1ju3 n GLY 115 N -0.29 3.54 3.44 1.99 0.00 -1.19 -4.61 105.19 108.08 1ju3 n GLY 115 Ca -0.11 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1ju3 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ju3 s VAL 116 N -2.00 2.66 0.00 1.61 0.11 -1.26 -1.68 120.40 119.84 1ju3 s VAL 116 Ca 0.00 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1ju3 s VAL 116 Cb 0.00 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 1ju3 s VAL 116 CO 0.00 0.26 0.00 -0.24 -3.33 0.00 0.00 175.10 171.79 1ju3 n SER 117 N 1.33 0.00 0.21 3.54 2.88 0.09 -1.77 113.62 119.89 1ju3 n SER 117 Ca -0.16 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.42 1ju3 n SER 117 Cb 0.52 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.42 1ju3 n SER 117 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1ju3 h TYR 118 N 0.00 0.00 0.00 0.66 5.03 -1.89 0.75 116.97 121.51 1ju3 h TYR 118 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ju3 h TYR 118 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1ju3 h TYR 118 CO 0.00 0.28 0.00 1.28 -1.32 0.00 0.00 178.16 178.40 1ju3 n LEU 119 N -4.12 0.00 -0.12 2.82 4.32 -0.73 -1.97 117.00 117.20 1ju3 n LEU 119 Ca -0.02 0.33 -0.18 0.00 -0.02 0.00 0.00 56.01 56.12 1ju3 n LEU 119 Cb 0.34 -0.33 -0.11 0.00 -1.62 0.00 0.00 43.42 41.70 1ju3 n LEU 119 CO 0.37 -0.07 -1.31 0.61 -1.22 0.00 0.00 177.39 175.77 1ju3 n GLY 120 N 0.74 -0.35 0.37 -0.72 0.00 0.07 -4.22 105.19 101.08 1ju3 n GLY 120 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1ju3 n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ju3 h VAL 121 N -0.09 1.26 0.00 1.61 2.07 -0.84 -2.21 116.25 118.05 1ju3 h VAL 121 Ca -0.55 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1ju3 h VAL 121 Cb 1.81 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1ju3 h VAL 121 CO -0.12 0.27 0.00 0.71 0.02 0.00 0.00 177.57 178.45 1ju3 h THR 122 N 1.30 0.00 0.03 2.57 1.35 -1.62 -2.06 112.91 114.47 1ju3 h THR 122 Ca 0.34 -0.21 -0.25 0.00 -0.55 0.00 0.00 66.41 65.74 1ju3 h THR 122 Cb -0.06 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1ju3 h THR 122 CO -0.06 0.00 -1.05 1.56 -0.25 0.00 0.00 175.52 175.72 1ju3 h GLN 123 N 0.00 0.52 -0.11 4.72 4.20 -1.59 -2.18 115.11 120.67 1ju3 h GLN 123 Ca 0.00 -0.60 -0.11 0.00 0.06 0.00 0.00 58.65 58.00 1ju3 h GLN 123 Cb 0.21 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1ju3 h GLN 123 CO 0.00 1.23 -0.41 -1.49 -0.67 0.00 0.00 178.83 177.49 1ju3 h TRP 124 N 0.27 0.28 0.00 2.96 4.06 -1.40 -0.24 115.95 121.89 1ju3 h TRP 124 Ca -0.12 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.67 1ju3 h TRP 124 Cb 1.70 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.79 1ju3 h TRP 124 CO 0.08 0.62 -0.40 1.96 -3.56 0.00 0.00 178.44 177.14 1ju3 h GLN 125 N 0.20 0.00 0.10 0.49 4.20 -1.43 -2.89 115.11 115.78 1ju3 h GLN 125 Ca 0.02 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.44 1ju3 h GLN 125 Cb 0.81 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1ju3 h GLN 125 CO 0.06 0.40 -1.43 0.00 -0.67 0.00 0.00 178.83 177.19 1ju3 h ALA 126 N 1.60 0.27 -0.17 3.87 0.00 -0.99 -3.36 119.26 120.49 1ju3 h ALA 126 Ca -0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 54.91 53.79 1ju3 h ALA 126 Cb 0.86 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ju3 h ALA 126 CO 0.05 1.14 -0.14 0.00 0.00 0.00 0.00 179.25 180.30 1ju3 h ALA 127 N 0.59 1.46 0.00 0.00 0.00 -0.85 -2.97 119.26 117.48 1ju3 h ALA 127 Ca -0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ju3 h ALA 127 Cb 1.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1ju3 h ALA 127 CO 0.16 0.38 0.00 1.33 0.00 0.00 0.00 179.25 181.12 1ju3 n VAL 128 N -4.25 0.03 0.20 0.00 0.24 -1.13 -3.78 118.33 109.64 1ju3 n VAL 128 Ca -0.01 0.01 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 1ju3 n VAL 128 Cb 0.28 -0.53 0.40 0.00 -1.47 0.00 0.00 33.84 32.53 1ju3 n VAL 128 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ju3 h SER 129 N 0.00 0.00 0.00 -1.34 4.64 -1.71 -3.47 113.55 111.67 1ju3 h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ju3 h SER 129 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ju3 h SER 129 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1ju3 n GLY 130 N 0.03 0.44 3.64 -0.77 0.00 -1.25 -5.01 105.19 102.28 1ju3 n GLY 130 Ca -0.01 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1ju3 n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ju3 s VAL 131 N -2.00 4.19 0.48 1.61 1.01 -1.26 -4.92 120.40 119.52 1ju3 s VAL 131 Ca 0.00 1.39 0.14 0.00 0.00 0.00 0.00 61.98 63.51 1ju3 s VAL 131 Cb 0.00 -4.08 0.28 0.00 0.00 0.00 0.00 36.38 32.59 1ju3 s VAL 131 CO 0.00 -0.32 2.10 1.23 0.00 0.00 0.00 175.10 178.11 1ju3 h GLY 132 N 10.39 0.21 2.00 4.51 0.00 -1.99 -2.69 103.07 115.50 1ju3 h GLY 132 Ca -0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1ju3 h GLY 132 CO 1.00 0.07 -0.06 -1.33 0.00 0.00 0.00 176.54 176.22 1ju3 h GLY 133 N 0.19 0.00 -7.11 4.60 0.00 -1.91 -3.40 103.07 95.43 1ju3 h GLY 133 Ca 0.08 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.85 1ju3 h GLY 133 CO -0.01 0.00 0.94 -2.27 0.00 0.00 0.00 176.54 175.20 1ju3 s LEU 134 N -6.51 3.46 0.09 3.11 2.96 -1.02 -0.48 118.68 120.30 1ju3 s LEU 134 Ca -0.01 -0.15 0.20 0.00 -0.22 0.00 0.00 54.13 53.95 1ju3 s LEU 134 Cb 0.11 -2.92 -0.11 0.00 0.50 0.00 0.00 46.19 43.76 1ju3 s LEU 134 CO 0.54 -1.56 0.83 0.29 -1.32 0.00 0.00 176.35 175.13 1ju3 n LYS 135 N 8.60 0.62 -3.56 1.98 4.76 0.30 -4.96 118.16 125.90 1ju3 n LYS 135 Ca 0.06 0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 1ju3 n LYS 135 Cb 0.49 -1.77 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 1ju3 n LYS 135 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ju3 s ALA 136 N -3.13 -1.88 0.18 7.82 0.00 -1.24 -4.12 121.76 119.39 1ju3 s ALA 136 Ca -0.03 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.50 1ju3 s ALA 136 Cb 0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1ju3 s ALA 136 CO 0.82 -0.33 -0.12 0.96 0.00 0.00 0.00 175.76 177.09 1ju3 s ILE 137 N -1.09 1.46 -0.41 0.00 -4.36 -0.60 -2.14 121.20 114.07 1ju3 s ILE 137 Ca -0.05 -2.14 0.06 0.00 -0.26 0.00 0.00 60.65 58.27 1ju3 s ILE 137 Cb -0.00 -1.99 0.21 0.00 1.25 0.00 0.00 42.46 41.93 1ju3 s ILE 137 CO 0.04 -0.64 0.45 0.00 0.24 0.00 0.00 174.94 175.03 1ju3 n ALA 138 N -0.31 2.40 -2.66 2.27 0.00 -0.34 -1.69 120.51 120.18 1ju3 n ALA 138 Ca -0.09 -3.13 -0.42 0.00 0.00 0.00 0.00 53.44 49.80 1ju3 n ALA 138 Cb 0.61 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1ju3 n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ju3 s PRO 139 N -0.47 4.28 -0.11 0.00 0.04 -1.15 -3.14 135.00 134.44 1ju3 s PRO 139 Ca 0.34 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 1ju3 s PRO 139 Cb 0.10 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1ju3 s PRO 139 CO -0.16 -0.50 -0.02 0.45 0.04 0.00 0.00 177.00 176.81 1ju3 s SER 140 N 1.20 4.99 -1.45 6.66 0.15 -0.68 -2.47 113.70 122.10 1ju3 s SER 140 Ca 0.42 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 1ju3 s SER 140 Cb -0.16 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1ju3 s SER 140 CO 0.09 0.30 0.27 0.23 1.20 0.00 0.00 173.24 175.33 1ju3 n MET 141 N 2.69 -2.37 -4.61 5.44 2.81 0.01 -0.73 117.12 120.36 1ju3 n MET 141 Ca -0.18 0.29 -0.32 0.00 -1.81 0.00 0.00 57.70 55.68 1ju3 n MET 141 Cb 0.53 -4.15 -0.07 0.00 -0.71 0.00 0.00 33.22 28.82 1ju3 n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ju3 s ALA 142 N -4.11 4.09 0.01 3.04 0.00 -1.26 -3.61 121.76 119.91 1ju3 s ALA 142 Ca 0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1ju3 s ALA 142 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1ju3 s ALA 142 CO 0.93 -0.09 0.14 0.45 0.00 0.00 0.00 175.76 177.19 1ju3 s SER 143 N -3.92 0.04 0.00 0.00 0.15 -1.26 -3.05 113.70 105.65 1ju3 s SER 143 Ca 0.13 -0.24 0.08 0.00 0.70 0.00 0.00 55.95 56.62 1ju3 s SER 143 Cb 0.02 0.21 0.17 0.00 -1.71 0.00 0.00 66.02 64.71 1ju3 s SER 143 CO 0.07 -0.40 1.02 0.00 1.20 0.00 0.00 173.24 175.14 1ju3 n ALA 144 N 1.34 2.28 -3.51 5.45 0.00 -1.26 -4.60 120.51 120.20 1ju3 n ALA 144 Ca -0.22 -0.89 -0.26 0.00 0.00 0.00 0.00 53.44 52.07 1ju3 n ALA 144 Cb 0.56 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 1ju3 n ALA 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ju3 s ASP 145 N -0.88 2.98 0.54 0.00 -1.08 -1.26 -0.47 116.67 116.49 1ju3 s ASP 145 Ca 0.15 -1.11 0.26 0.00 -0.52 0.00 0.00 52.55 51.33 1ju3 s ASP 145 Cb 0.08 -0.11 1.53 0.00 -1.46 0.00 0.00 42.92 42.96 1ju3 s ASP 145 CO 0.11 -0.42 2.13 -0.07 0.52 0.00 0.00 175.17 177.44 1ju3 h LEU 146 N 8.37 0.00 0.01 -1.34 -0.00 -1.86 -1.94 115.31 118.55 1ju3 h LEU 146 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1ju3 h LEU 146 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1ju3 h LEU 146 CO 0.40 0.08 -0.00 0.22 -0.00 0.00 0.00 178.44 179.14 1ju3 h TYR 147 N 0.00 -0.01 0.00 1.13 5.03 -1.96 -2.98 116.97 118.18 1ju3 h TYR 147 Ca -0.00 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1ju3 h TYR 147 Cb 0.21 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1ju3 h TYR 147 CO 0.00 0.61 -0.21 0.00 -1.32 0.00 0.00 178.16 177.24 1ju3 h ARG 148 N -0.65 0.00 -1.76 1.82 3.08 -1.75 0.22 114.38 115.34 1ju3 h ARG 148 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1ju3 h ARG 148 Cb 0.63 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.44 1ju3 h ARG 148 CO 0.00 0.21 0.24 0.00 -1.07 0.00 0.00 179.97 179.35 1ju3 s ALA 149 N -4.42 -2.03 -2.78 0.04 0.00 -0.76 -3.89 121.76 107.93 1ju3 s ALA 149 Ca -0.03 2.21 0.24 0.00 0.00 0.00 0.00 51.96 54.38 1ju3 s ALA 149 Cb 0.15 -1.51 0.21 0.00 0.00 0.00 0.00 23.12 21.97 1ju3 s ALA 149 CO 0.67 -0.34 1.26 -0.35 0.00 0.00 0.00 175.76 177.00 1ju3 n PRO 150 N 3.57 2.06 -0.02 0.00 -0.04 -1.22 -3.82 135.00 135.54 1ju3 n PRO 150 Ca -0.18 -1.68 -0.16 0.00 -0.04 0.00 0.00 63.50 61.44 1ju3 n PRO 150 Cb 0.58 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1ju3 n PRO 150 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ju3 h TRP 151 N 4.11 0.57 0.00 0.54 -0.00 -1.69 -3.43 115.95 116.05 1ju3 h TRP 151 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 58.89 58.61 1ju3 h TRP 151 Cb 0.92 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 30.00 1ju3 h TRP 151 CO 0.00 1.06 0.00 0.66 -0.00 0.00 0.00 178.44 180.16 1ju3 n TYR 152 N -4.29 0.00 0.00 0.49 4.02 0.01 -0.65 117.16 116.73 1ju3 n TYR 152 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1ju3 n TYR 152 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1ju3 n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ju3 n GLY 153 N 4.43 0.29 0.19 2.72 0.00 -0.83 -4.34 105.19 107.64 1ju3 n GLY 153 Ca 0.00 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1ju3 n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ju3 h PRO 154 N 0.00 0.00 -0.00 1.61 0.13 -1.88 -2.24 132.00 129.62 1ju3 h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ju3 h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ju3 h PRO 154 CO 0.00 0.00 -0.72 0.41 -0.23 0.00 0.00 178.00 177.46 1ju3 n GLY 155 N -0.77 -1.02 1.80 1.56 0.00 -1.25 -4.95 105.19 100.56 1ju3 n GLY 155 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ju3 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ju3 n GLY 156 N 1.49 0.48 3.62 -0.02 0.00 -0.84 -1.20 105.19 108.72 1ju3 n GLY 156 Ca 0.05 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1ju3 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ju3 s ALA 157 N -2.00 3.11 0.06 4.61 0.00 -1.26 -4.79 121.76 121.48 1ju3 s ALA 157 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1ju3 s ALA 157 Cb 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1ju3 s ALA 157 CO 0.00 0.62 1.32 -1.17 0.00 0.00 0.00 175.76 176.53 1ju3 s LEU 158 N -1.39 4.35 -1.30 0.00 2.96 -1.26 -3.67 118.68 118.36 1ju3 s LEU 158 Ca 0.17 2.14 -0.14 0.00 -0.22 0.00 0.00 54.13 56.08 1ju3 s LEU 158 Cb -0.11 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.12 1ju3 s LEU 158 CO 0.08 -0.61 1.79 -1.20 -1.32 0.00 0.00 176.35 175.09 1ju3 n SER 159 N 4.39 4.83 -0.31 3.68 7.64 0.17 -0.65 113.62 133.38 1ju3 n SER 159 Ca 0.11 -2.97 0.05 0.00 1.01 0.00 0.00 58.87 57.07 1ju3 n SER 159 Cb 0.44 -1.61 0.25 0.00 -1.01 0.00 0.00 64.21 62.28 1ju3 n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ju3 h VAL 160 N 4.53 1.03 -0.28 0.44 3.04 -1.69 -1.99 116.25 121.33 1ju3 h VAL 160 Ca 0.42 -0.34 -0.10 0.00 -1.01 0.00 0.00 66.70 65.67 1ju3 h VAL 160 Cb 0.76 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 1ju3 h VAL 160 CO 1.53 0.18 -0.26 1.05 -1.01 0.00 0.00 177.57 179.07 1ju3 h GLU 161 N 1.00 0.54 -0.35 4.17 -0.00 -1.68 -1.24 114.58 117.01 1ju3 h GLU 161 Ca 0.41 -0.21 -0.06 0.00 -0.00 0.00 0.00 59.36 59.50 1ju3 h GLU 161 Cb 0.28 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.99 1ju3 h GLU 161 CO -0.17 0.75 -0.01 0.00 -0.00 0.00 0.00 179.01 179.58 1ju3 h ALA 162 N 1.25 0.47 0.29 1.06 0.00 -1.71 -1.34 119.26 119.28 1ju3 h ALA 162 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ju3 h ALA 162 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ju3 h ALA 162 CO 0.05 0.25 -0.14 1.25 0.00 0.00 0.00 179.25 180.66 1ju3 h LEU 163 N 0.43 -0.33 -0.79 0.00 5.85 -1.13 -1.81 115.31 117.53 1ju3 h LEU 163 Ca 0.10 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1ju3 h LEU 163 Cb 0.47 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1ju3 h LEU 163 CO 0.02 -0.05 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.70 1ju3 h LEU 164 N -0.62 0.58 -0.15 2.25 3.38 -1.29 -1.60 115.31 117.85 1ju3 h LEU 164 Ca -0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1ju3 h LEU 164 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ju3 h LEU 164 CO 0.07 0.85 -0.10 1.23 0.09 0.00 0.00 178.44 180.57 1ju3 h GLY 165 N 1.03 0.37 1.24 0.83 0.00 -1.27 -1.92 103.07 103.35 1ju3 h GLY 165 Ca 0.06 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1ju3 h GLY 165 CO 0.06 0.32 -0.34 -0.25 0.00 0.00 0.00 176.54 176.33 1ju3 h TRP 166 N -0.00 1.00 -0.43 5.60 7.01 -1.32 -2.00 115.95 125.80 1ju3 h TRP 166 Ca 0.03 -0.28 -0.04 0.00 2.11 0.00 0.00 58.89 60.71 1ju3 h TRP 166 Cb 0.60 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 1ju3 h TRP 166 CO 0.07 1.06 0.09 0.77 -2.79 0.00 0.00 178.44 177.65 1ju3 h SER 167 N 0.70 0.59 0.36 2.65 0.02 -1.28 -0.16 113.55 116.43 1ju3 h SER 167 Ca 0.07 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 1ju3 h SER 167 Cb 0.90 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1ju3 h SER 167 CO 0.08 0.60 -0.64 0.00 -1.14 0.00 0.00 176.83 175.74 1ju3 h ALA 168 N 1.48 0.79 -0.24 3.77 0.00 -1.15 0.54 119.26 124.46 1ju3 h ALA 168 Ca 0.14 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1ju3 h ALA 168 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ju3 h ALA 168 CO -0.00 0.75 -0.39 1.25 0.00 0.00 0.00 179.25 180.85 1ju3 h LEU 169 N 0.19 0.76 -0.72 0.00 5.85 -0.77 -2.39 115.31 118.24 1ju3 h LEU 169 Ca -0.01 -0.52 -0.14 0.00 0.84 0.00 0.00 57.88 58.05 1ju3 h LEU 169 Cb 1.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ju3 h LEU 169 CO 0.10 1.14 -0.57 0.40 -0.34 0.00 0.00 178.44 179.17 1ju3 h ILE 170 N 0.41 1.38 -0.42 4.05 1.08 -0.99 -2.71 117.51 120.31 1ju3 h ILE 170 Ca 0.02 -1.91 -0.05 0.00 -0.39 0.00 0.00 64.86 62.53 1ju3 h ILE 170 Cb 0.98 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 36.67 1ju3 h ILE 170 CO 0.09 0.56 0.04 1.23 -0.69 0.00 0.00 178.15 179.39 1ju3 h GLY 171 N 1.46 0.69 1.59 5.37 0.00 -0.77 0.29 103.07 111.70 1ju3 h GLY 171 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1ju3 h GLY 171 CO 0.09 0.38 -0.44 -0.84 0.00 0.00 0.00 176.54 175.73 1ju3 h THR 172 N 0.62 1.31 0.04 4.70 2.02 -1.20 -2.80 112.91 117.59 1ju3 h THR 172 Ca 0.13 -1.61 -0.22 0.00 0.77 0.00 0.00 66.41 65.48 1ju3 h THR 172 Cb 0.32 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1ju3 h THR 172 CO 0.01 0.50 -1.01 1.23 0.37 0.00 0.00 175.52 176.61 1ju3 h GLY 173 N 1.14 0.19 1.96 2.16 0.00 -0.98 -3.13 103.07 104.40 1ju3 h GLY 173 Ca 0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1ju3 h GLY 173 CO 0.08 0.35 -0.53 1.41 0.00 0.00 0.00 176.54 177.85 1ju3 h LEU 174 N 0.07 0.05 0.02 3.11 3.38 -0.39 -3.27 115.31 118.28 1ju3 h LEU 174 Ca -0.06 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1ju3 h LEU 174 Cb 1.71 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.45 1ju3 h LEU 174 CO 0.15 0.58 -0.54 0.40 0.09 0.00 0.00 178.44 179.12 1ju3 h ILE 175 N 0.04 1.48 0.00 1.22 2.04 -1.56 -3.15 117.51 117.57 1ju3 h ILE 175 Ca -0.00 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1ju3 h ILE 175 Cb 0.96 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1ju3 h ILE 175 CO 0.07 0.60 0.00 1.07 0.00 0.00 0.00 178.15 179.90 1ju3 n THR 176 N -4.28 0.00 -0.98 -0.27 5.66 -1.18 -3.47 114.28 109.76 1ju3 n THR 176 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1ju3 n THR 176 Cb 0.65 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1ju3 n THR 176 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ju3 n SER 177 N -0.28 0.02 -3.95 1.09 3.41 -1.23 -5.04 113.62 107.63 1ju3 n SER 177 Ca 0.00 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.37 1ju3 n SER 177 Cb 0.09 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.18 1ju3 n SER 177 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ju3 n ARG 178 N -0.00 -0.64 -2.15 4.33 1.85 -1.19 -4.57 116.66 114.28 1ju3 n ARG 178 Ca 0.00 -2.09 -0.41 0.00 -1.00 0.00 0.00 57.85 54.35 1ju3 n ARG 178 Cb 0.27 -0.93 -0.03 0.00 -1.05 0.00 0.00 32.46 30.73 1ju3 n ARG 178 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1ju3 s SER 179 N -4.99 5.71 0.51 2.89 1.04 -1.26 -4.80 113.70 112.81 1ju3 s SER 179 Ca 0.63 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1ju3 s SER 179 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1ju3 s SER 179 CO 0.43 -1.99 0.00 0.47 0.98 0.00 0.00 173.24 173.13 1ju3 n ASP 180 N 11.08 -7.29 -4.62 7.02 8.00 -1.26 -4.84 116.55 124.63 1ju3 n ASP 180 Ca 0.18 1.61 -0.43 0.00 0.71 0.00 0.00 54.79 56.86 1ju3 n ASP 180 Cb 0.50 -4.27 -0.02 0.00 -0.02 0.00 0.00 41.12 37.31 1ju3 n ASP 180 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ju3 s ALA 181 N -5.16 3.31 0.27 2.24 0.00 -1.26 -5.03 121.76 116.13 1ju3 s ALA 181 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 1ju3 s ALA 181 Cb 0.00 -3.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 1ju3 s ALA 181 CO 0.00 -1.87 0.65 1.03 0.00 0.00 0.00 175.76 175.57 1ju3 s ARG 182 N 4.26 3.95 0.55 0.00 0.52 -1.26 -5.01 118.95 121.97 1ju3 s ARG 182 Ca 0.56 0.54 0.28 0.00 -0.52 0.00 0.00 55.73 56.58 1ju3 s ARG 182 Cb -0.15 -2.59 1.61 0.00 0.52 0.00 0.00 34.95 34.34 1ju3 s ARG 182 CO 0.24 0.26 2.16 -1.35 0.02 0.00 0.00 175.30 176.64 1ju3 h PRO 183 N 2.57 0.00 -0.00 3.54 0.11 -2.03 -2.74 132.00 133.44 1ju3 h PRO 183 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ju3 h PRO 183 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ju3 h PRO 183 CO 0.67 0.06 -0.22 -0.85 -0.21 0.00 0.00 178.00 177.45 1ju3 n GLU 184 N -3.80 0.33 -0.34 1.05 0.00 -1.26 -4.24 120.64 112.38 1ju3 n GLU 184 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 57.16 56.99 1ju3 n GLU 184 Cb 0.16 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.21 1ju3 n GLU 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ju3 h ASP 185 N 0.32 1.02 -0.58 -1.84 3.32 -1.90 -1.26 116.42 115.51 1ju3 h ASP 185 Ca 0.00 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1ju3 h ASP 185 Cb 0.45 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1ju3 h ASP 185 CO 0.00 0.71 0.14 0.00 -1.72 0.00 0.00 179.24 178.38 1ju3 h ALA 186 N 1.37 0.76 -0.22 3.45 0.00 -1.79 -1.44 119.26 121.38 1ju3 h ALA 186 Ca 0.36 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1ju3 h ALA 186 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ju3 h ALA 186 CO -0.11 0.47 -0.52 0.00 0.00 0.00 0.00 179.25 179.09 1ju3 h ALA 187 N 1.03 0.67 -0.39 0.00 0.00 -1.77 -3.09 119.26 115.71 1ju3 h ALA 187 Ca 0.18 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1ju3 h ALA 187 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ju3 h ALA 187 CO 0.00 0.68 -0.20 -0.44 0.00 0.00 0.00 179.25 179.30 1ju3 h ASP 188 N 0.50 0.77 -0.82 0.00 3.32 -1.06 -2.54 116.42 116.58 1ju3 h ASP 188 Ca 0.02 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1ju3 h ASP 188 Cb 1.07 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1ju3 h ASP 188 CO 0.10 0.95 0.42 -0.26 -1.72 0.00 0.00 179.24 178.73 1ju3 h PHE 189 N 0.67 1.15 -0.36 4.55 0.04 -1.19 -0.65 116.94 121.15 1ju3 h PHE 189 Ca 0.10 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 1ju3 h PHE 189 Cb 0.69 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ju3 h PHE 189 CO 0.04 0.82 -0.36 0.28 -0.60 0.00 0.00 178.31 178.49 1ju3 h VAL 190 N 1.15 1.28 -0.27 -0.55 2.07 -1.46 -2.30 116.25 116.17 1ju3 h VAL 190 Ca 0.28 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.13 1ju3 h VAL 190 Cb 0.08 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1ju3 h VAL 190 CO -0.04 0.51 -0.40 1.56 0.02 0.00 0.00 177.57 179.22 1ju3 h GLN 191 N 0.69 0.63 -0.16 1.57 4.20 -1.12 -1.77 115.11 119.15 1ju3 h GLN 191 Ca 0.06 -0.32 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1ju3 h GLN 191 Cb 0.93 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1ju3 h GLN 191 CO 0.09 0.92 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.63 1ju3 h LEU 192 N 0.52 0.44 -0.88 1.46 3.38 -1.08 -2.79 115.31 116.36 1ju3 h LEU 192 Ca 0.04 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1ju3 h LEU 192 Cb 0.92 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1ju3 h LEU 192 CO 0.08 0.84 -0.38 0.00 0.09 0.00 0.00 178.44 179.08 1ju3 h ALA 193 N 1.17 1.04 -0.25 1.53 0.00 -1.22 -2.29 119.26 119.25 1ju3 h ALA 193 Ca 0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1ju3 h ALA 193 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ju3 h ALA 193 CO 0.08 0.60 -0.25 0.00 0.00 0.00 0.00 179.25 179.67 1ju3 h ALA 194 N 1.29 1.10 -0.13 0.00 0.00 -1.10 -1.03 119.26 119.38 1ju3 h ALA 194 Ca 0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ju3 h ALA 194 Cb 0.81 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ju3 h ALA 194 CO 0.06 0.56 -0.21 0.82 0.00 0.00 0.00 179.25 180.49 1ju3 h ILE 195 N 0.42 1.37 0.00 0.00 2.04 -1.24 -2.73 117.51 117.36 1ju3 h ILE 195 Ca 0.06 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1ju3 h ILE 195 Cb 0.67 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1ju3 h ILE 195 CO 0.05 0.42 -0.19 -0.07 0.00 0.00 0.00 178.15 178.36 1ju3 h LEU 196 N -0.03 0.00 0.00 1.44 3.38 -1.21 -1.60 115.31 117.29 1ju3 h LEU 196 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ju3 h LEU 196 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1ju3 h LEU 196 CO 0.05 0.19 -0.37 0.78 0.09 0.00 0.00 178.44 179.18 1ju3 h ASN 197 N 0.00 0.00 -1.43 -0.43 2.35 -1.18 -3.40 115.58 111.49 1ju3 h ASN 197 Ca -0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 1ju3 h ASN 197 Cb 0.48 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.58 1ju3 h ASN 197 CO 0.03 0.10 -0.76 -0.67 -1.65 0.00 0.00 177.43 174.48 1ju3 n ASP 198 N -3.01 -1.77 0.12 5.81 2.03 -0.95 -4.99 116.55 113.80 1ju3 n ASP 198 Ca 0.02 -2.77 -0.01 0.00 0.52 0.00 0.00 54.79 52.55 1ju3 n ASP 198 Cb 0.58 0.61 0.23 0.00 -0.72 0.00 0.00 41.12 41.82 1ju3 n ASP 198 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ju3 h VAL 199 N 3.98 1.34 -0.53 5.18 2.07 -1.53 -2.36 116.25 124.40 1ju3 h VAL 199 Ca 0.09 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1ju3 h VAL 199 Cb 0.99 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1ju3 h VAL 199 CO 0.26 0.48 0.10 0.00 0.02 0.00 0.00 177.57 178.43 1ju3 h ALA 200 N 1.42 0.70 -0.21 1.67 0.00 -1.94 -0.52 119.26 120.38 1ju3 h ALA 200 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1ju3 h ALA 200 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ju3 h ALA 200 CO 0.07 0.43 -0.36 0.78 0.00 0.00 0.00 179.25 180.17 1ju3 h GLY 201 N 0.75 0.49 1.69 0.00 0.00 -1.91 -1.75 103.07 102.35 1ju3 h GLY 201 Ca 0.16 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1ju3 h GLY 201 CO 0.01 0.41 -0.53 0.00 0.00 0.00 0.00 176.54 176.43 1ju3 h ALA 202 N 1.23 0.88 0.00 3.60 0.00 -1.16 -2.87 119.26 120.94 1ju3 h ALA 202 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ju3 h ALA 202 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ju3 h ALA 202 CO 0.07 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 1ju3 n ALA 203 N -2.48 2.42 1.04 0.00 0.00 -0.23 -3.65 120.51 117.61 1ju3 n ALA 203 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1ju3 n ALA 203 Cb 0.57 -1.44 0.47 0.00 0.00 0.00 0.00 19.45 19.06 1ju3 n ALA 203 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ju3 n SER 204 N -1.70 0.24 -4.75 0.00 7.64 -0.69 -4.91 113.62 109.46 1ju3 n SER 204 Ca 0.06 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 1ju3 n SER 204 Cb 0.36 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1ju3 n SER 204 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ju3 s VAL 205 N -2.95 2.94 -0.09 0.44 -7.23 -1.24 -5.03 120.40 107.24 1ju3 s VAL 205 Ca 0.14 0.85 0.02 0.00 -1.81 0.00 0.00 61.98 61.18 1ju3 s VAL 205 Cb 0.18 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.60 1ju3 s VAL 205 CO 0.59 0.16 -0.14 0.42 -0.31 0.00 0.00 175.10 175.82 1ju3 s THR 206 N -0.49 1.40 0.27 5.32 -4.23 -1.26 -3.09 115.64 113.54 1ju3 s THR 206 Ca 0.53 -0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 1ju3 s THR 206 Cb -0.38 -1.28 -0.10 0.00 1.34 0.00 0.00 72.50 72.08 1ju3 s THR 206 CO 0.45 0.42 1.29 -2.84 -0.54 0.00 0.00 174.62 173.40 1ju3 s PRO 207 N 0.87 4.40 0.51 3.99 0.02 -1.25 -4.77 135.00 138.77 1ju3 s PRO 207 Ca -0.09 2.11 0.15 0.00 0.02 0.00 0.00 61.00 63.19 1ju3 s PRO 207 Cb -0.15 -3.14 1.23 0.00 0.02 0.00 0.00 34.50 32.45 1ju3 s PRO 207 CO 0.01 -0.18 2.13 1.25 -0.33 0.00 0.00 177.00 179.88 1ju3 h LEU 208 N 4.36 0.03 -0.98 -5.54 5.85 -1.34 -2.34 115.31 115.35 1ju3 h LEU 208 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ju3 h LEU 208 Cb 1.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ju3 h LEU 208 CO 0.71 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 1ju3 h ALA 209 N 1.97 1.00 -1.80 1.25 0.00 -1.45 -3.38 119.26 116.85 1ju3 h ALA 209 Ca 0.01 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.25 1ju3 h ALA 209 Cb 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 1ju3 h ALA 209 CO -0.00 0.00 0.83 -1.21 0.00 0.00 0.00 179.25 178.87 1ju3 s GLU 210 N -3.44 3.49 -0.48 0.00 2.02 -0.88 -4.93 118.70 114.48 1ju3 s GLU 210 Ca 0.03 -1.51 0.04 0.00 0.02 0.00 0.00 54.97 53.55 1ju3 s GLU 210 Cb 0.09 -4.81 0.12 0.00 0.10 0.00 0.00 34.13 29.64 1ju3 s GLU 210 CO 0.43 -1.82 0.22 -0.65 0.02 0.00 0.00 175.26 173.45 1ju3 s GLN 211 N 3.18 1.81 0.22 1.61 -1.52 -1.26 -4.93 119.66 118.77 1ju3 s GLN 211 Ca 0.32 -2.41 -0.09 0.00 -1.95 0.00 0.00 55.36 51.22 1ju3 s GLN 211 Cb -0.07 -3.20 0.19 0.00 -0.22 0.00 0.00 33.01 29.70 1ju3 s GLN 211 CO -0.05 -1.08 1.88 -1.35 -0.25 0.00 0.00 175.29 174.44 1ju3 h PRO 212 N 6.75 1.13 0.00 2.91 0.11 -1.97 -1.02 132.00 139.90 1ju3 h PRO 212 Ca -0.07 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ju3 h PRO 212 Cb 0.92 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1ju3 h PRO 212 CO 0.64 0.77 -0.03 1.25 -0.21 0.00 0.00 178.00 180.42 1ju3 h LEU 213 N 1.15 0.00 -1.19 2.35 5.85 -2.00 -3.28 115.31 118.19 1ju3 h LEU 213 Ca 0.31 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1ju3 h LEU 213 Cb -0.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ju3 h LEU 213 CO -0.06 0.46 0.21 -0.07 -0.34 0.00 0.00 178.44 178.64 1ju3 h LEU 214 N -0.90 0.71 -1.45 2.25 3.38 -1.94 -1.91 115.31 115.45 1ju3 h LEU 214 Ca 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ju3 h LEU 214 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ju3 h LEU 214 CO 0.00 0.64 -0.02 1.23 0.09 0.00 0.00 178.44 180.39 1ju3 h GLY 215 N 0.90 0.00 0.10 0.83 0.00 -1.38 -0.02 103.07 103.51 1ju3 h GLY 215 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 1ju3 h GLY 215 CO -0.02 0.00 -1.03 -0.09 0.00 0.00 0.00 176.54 175.40 1ju3 h ARG 216 N 0.00 0.04 -0.24 4.80 2.43 -1.50 -3.21 114.38 116.70 1ju3 h ARG 216 Ca -0.00 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1ju3 h ARG 216 Cb 0.52 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1ju3 h ARG 216 CO 0.00 1.03 -0.42 -0.07 -1.51 0.00 0.00 179.97 179.00 1ju3 h LEU 217 N -0.87 0.63 -6.25 3.80 3.38 -1.31 -3.39 115.31 111.30 1ju3 h LEU 217 Ca -0.27 -0.29 -0.47 0.00 0.09 0.00 0.00 57.88 56.95 1ju3 h LEU 217 Cb 1.33 -0.18 -0.33 0.00 0.09 0.00 0.00 40.66 41.56 1ju3 h LEU 217 CO -0.12 0.97 -0.80 -0.51 0.09 0.00 0.00 178.44 178.07 1ju3 s ILE 218 N -4.22 -0.08 0.54 1.22 2.07 -0.03 -5.02 121.20 115.68 1ju3 s ILE 218 Ca -0.08 -1.72 0.34 0.00 -1.41 0.00 0.00 60.65 57.78 1ju3 s ILE 218 Cb 0.12 -0.88 0.51 0.00 0.13 0.00 0.00 42.46 42.34 1ju3 s ILE 218 CO 0.83 -0.83 1.85 -0.65 -1.91 0.00 0.00 174.94 174.23 1ju3 h PRO 219 N 6.31 0.00 -0.89 3.50 0.11 -1.71 -2.31 132.00 137.01 1ju3 h PRO 219 Ca 0.13 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.46 1ju3 h PRO 219 Cb 0.99 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 1ju3 h PRO 219 CO 0.25 0.00 0.61 2.35 -0.21 0.00 0.00 178.00 181.00 1ju3 h TRP 220 N 0.00 0.36 -0.85 0.65 7.01 -1.90 -0.47 115.95 120.76 1ju3 h TRP 220 Ca 0.49 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.63 1ju3 h TRP 220 Cb 1.95 -0.11 -0.09 0.00 -2.10 0.00 0.00 29.16 28.81 1ju3 h TRP 220 CO -0.00 0.09 0.45 0.28 -2.79 0.00 0.00 178.44 176.47 1ju3 h VAL 221 N 0.26 0.78 0.00 2.65 2.07 -1.73 -0.93 116.25 119.35 1ju3 h VAL 221 Ca 0.45 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.56 1ju3 h VAL 221 Cb 1.35 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1ju3 h VAL 221 CO -0.12 0.12 -1.37 -0.38 0.02 0.00 0.00 177.57 175.84 1ju3 n ILE 222 N -4.83 1.50 -0.34 4.57 2.08 -0.71 -1.57 119.36 120.07 1ju3 n ILE 222 Ca 0.16 -0.03 0.13 0.00 0.56 0.00 0.00 62.75 63.57 1ju3 n ILE 222 Cb 0.39 -2.15 0.31 0.00 -0.75 0.00 0.00 39.64 37.44 1ju3 n ILE 222 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1ju3 h ASP 223 N -1.00 0.70 0.00 4.38 3.32 -1.15 -0.67 116.42 122.00 1ju3 h ASP 223 Ca -0.28 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ju3 h ASP 223 Cb 1.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1ju3 h ASP 223 CO -0.17 0.22 -0.79 1.67 -1.72 0.00 0.00 179.24 178.45 1ju3 n GLN 224 N -4.82 0.42 0.14 3.56 -0.06 -0.39 -4.62 117.38 111.61 1ju3 n GLN 224 Ca 0.23 0.17 -0.06 0.00 -2.00 0.00 0.00 57.00 55.34 1ju3 n GLN 224 Cb 0.58 -1.23 -0.03 0.00 -4.06 0.00 0.00 30.24 25.50 1ju3 n GLN 224 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1ju3 h VAL 225 N -0.79 0.00 -0.82 1.69 2.07 -1.53 -2.94 116.25 113.92 1ju3 h VAL 225 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ju3 h VAL 225 Cb 0.79 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1ju3 h VAL 225 CO 0.00 0.00 0.48 0.58 0.02 0.00 0.00 177.57 178.65 1ju3 h VAL 226 N -0.56 1.24 0.00 2.57 2.07 -1.29 -2.87 116.25 117.40 1ju3 h VAL 226 Ca -0.04 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1ju3 h VAL 226 Cb 0.29 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ju3 h VAL 226 CO 0.06 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.38 1ju3 n ASP 227 N -4.42 0.45 -3.74 0.57 8.00 -0.26 -4.20 116.55 112.95 1ju3 n ASP 227 Ca 0.08 0.60 -0.28 0.00 0.71 0.00 0.00 54.79 55.90 1ju3 n ASP 227 Cb 0.08 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.37 1ju3 n ASP 227 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ju3 n HIS 228 N -1.98 3.26 0.24 1.24 8.25 -1.08 -4.92 115.22 120.22 1ju3 n HIS 228 Ca 0.03 -4.24 0.12 0.00 -0.26 0.00 0.00 57.72 53.37 1ju3 n HIS 228 Cb 0.24 -0.59 0.52 0.00 1.12 0.00 0.00 29.99 31.28 1ju3 n HIS 228 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ju3 h PRO 229 N 5.00 0.00 -6.60 -0.41 0.13 -1.76 -3.44 132.00 124.92 1ju3 h PRO 229 Ca 0.17 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.78 1ju3 h PRO 229 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1ju3 h PRO 229 CO 0.75 0.14 -0.03 -0.51 -0.23 0.00 0.00 178.00 178.12 1ju3 s ASP 230 N -6.04 6.59 -1.44 1.44 -0.00 -1.26 -4.95 116.67 111.01 1ju3 s ASP 230 Ca 0.01 0.99 -0.12 0.00 -0.00 0.00 0.00 52.55 53.43 1ju3 s ASP 230 Cb 0.10 -2.26 0.05 0.00 -0.00 0.00 0.00 42.92 40.81 1ju3 s ASP 230 CO 0.61 -0.20 2.29 -3.20 -0.00 0.00 0.00 175.17 174.66 1ju3 n ASN 231 N -0.63 5.16 -2.08 0.27 5.15 -0.22 -4.90 115.26 118.00 1ju3 n ASN 231 Ca 0.01 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1ju3 n ASN 231 Cb 0.53 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 1ju3 n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1ju3 n ASP 232 N 4.98 0.00 0.26 1.20 5.68 -1.26 -4.51 116.55 122.89 1ju3 n ASP 232 Ca 0.54 -0.64 0.09 0.00 -0.50 0.00 0.00 54.79 54.28 1ju3 n ASP 232 Cb 0.35 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 40.99 1ju3 n ASP 232 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1ju3 h GLU 233 N 0.00 0.00 -0.20 0.11 4.11 -1.98 -1.86 114.58 114.76 1ju3 h GLU 233 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1ju3 h GLU 233 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ju3 h GLU 233 CO 0.00 0.01 -0.26 0.66 0.07 0.00 0.00 179.01 179.49 1ju3 h SER 234 N 0.00 0.38 0.30 3.06 4.64 -1.95 -1.76 113.55 118.22 1ju3 h SER 234 Ca -0.00 -0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.86 1ju3 h SER 234 Cb 0.02 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1ju3 h SER 234 CO 0.00 0.65 -1.57 -0.50 -0.87 0.00 0.00 176.83 174.54 1ju3 h TRP 235 N 0.34 0.78 0.00 4.77 4.06 -1.76 -3.32 115.95 120.83 1ju3 h TRP 235 Ca 0.05 -0.57 -0.04 0.00 2.06 0.00 0.00 58.89 60.39 1ju3 h TRP 235 Cb 0.65 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1ju3 h TRP 235 CO 0.02 1.56 -0.18 1.96 -3.56 0.00 0.00 178.44 178.23 1ju3 h GLN 236 N 0.12 0.00 -0.39 0.49 1.08 -1.25 -1.83 115.11 113.32 1ju3 h GLN 236 Ca -0.28 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.86 1ju3 h GLN 236 Cb 2.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.52 1ju3 h GLN 236 CO 0.22 0.18 -0.04 1.03 -0.95 0.00 0.00 178.83 179.28 1ju3 h SER 237 N 0.00 0.62 -0.02 1.46 0.87 -1.41 -2.93 113.55 112.13 1ju3 h SER 237 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ju3 h SER 237 Cb 0.37 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ju3 h SER 237 CO 0.02 0.71 -0.30 2.30 -0.53 0.00 0.00 176.83 179.04 1ju3 n ILE 238 N -4.23 0.00 -2.63 2.23 -5.35 -0.98 -4.96 119.36 103.45 1ju3 n ILE 238 Ca 0.02 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.74 1ju3 n ILE 238 Cb 0.29 1.33 -0.04 0.00 -1.74 0.00 0.00 39.64 39.48 1ju3 n ILE 238 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ju3 s SER 239 N -2.21 7.40 -0.02 7.28 0.15 -0.73 -4.75 113.70 120.82 1ju3 s SER 239 Ca 0.21 1.94 0.14 0.00 0.70 0.00 0.00 55.95 58.93 1ju3 s SER 239 Cb 0.18 -2.60 -0.20 0.00 -1.71 0.00 0.00 66.02 61.69 1ju3 s SER 239 CO 0.45 -0.13 0.37 0.18 1.20 0.00 0.00 173.24 175.31 1ju3 n LEU 240 N 2.57 0.14 -0.26 3.45 7.99 0.38 -4.78 117.00 126.48 1ju3 n LEU 240 Ca 0.02 -0.11 0.03 0.00 -0.01 0.00 0.00 56.01 55.95 1ju3 n LEU 240 Cb 0.48 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 43.91 1ju3 n LEU 240 CO 0.52 0.03 0.76 0.15 -1.51 0.00 0.00 177.39 177.35 1ju3 h PHE 241 N 0.00 -0.25 0.00 -1.77 3.57 -1.54 -1.53 116.94 115.41 1ju3 h PHE 241 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ju3 h PHE 241 Cb 0.57 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1ju3 h PHE 241 CO 0.00 -0.30 0.00 0.93 -2.23 0.00 0.00 178.31 176.71 1ju3 h GLU 242 N 0.04 0.00 0.00 1.11 4.39 -1.89 -2.23 114.58 116.00 1ju3 h GLU 242 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1ju3 h GLU 242 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1ju3 h GLU 242 CO -0.74 0.00 -0.61 0.54 -1.16 0.00 0.00 179.01 177.04 1ju3 n ARG 243 N -2.95 0.06 -0.05 2.33 1.74 -0.59 -4.26 116.66 112.94 1ju3 n ARG 243 Ca -0.00 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1ju3 n ARG 243 Cb 0.21 -1.53 0.20 0.00 -1.02 0.00 0.00 32.46 30.32 1ju3 n ARG 243 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ju3 h LEU 244 N 0.00 0.62 -1.79 0.55 4.07 -1.26 -2.97 115.31 114.53 1ju3 h LEU 244 Ca 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1ju3 h LEU 244 Cb 0.55 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 1ju3 h LEU 244 CO 0.00 0.74 -0.04 1.23 -1.08 0.00 0.00 178.44 179.29 1ju3 h GLY 245 N 0.95 0.00 0.01 0.83 0.00 -1.74 -2.64 103.07 100.48 1ju3 h GLY 245 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ju3 h GLY 245 CO 0.03 0.00 -0.25 0.61 0.00 0.00 0.00 176.54 176.93 1ju3 n GLY 246 N -0.27 -0.46 3.91 4.60 0.00 -1.12 -4.94 105.19 106.91 1ju3 n GLY 246 Ca -0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1ju3 n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ju3 s LEU 247 N -2.44 3.52 -0.27 0.99 1.43 -1.00 -5.02 118.68 115.89 1ju3 s LEU 247 Ca 0.25 0.85 0.19 0.00 -1.03 0.00 0.00 54.13 54.39 1ju3 s LEU 247 Cb 0.19 -3.77 0.50 0.00 0.03 0.00 0.00 46.19 43.14 1ju3 s LEU 247 CO 0.50 -0.71 1.12 0.00 0.23 0.00 0.00 176.35 177.49 1ju3 n ALA 248 N -2.34 3.13 -2.90 4.21 0.00 -1.26 -4.77 120.51 116.58 1ju3 n ALA 248 Ca 0.02 -2.99 -0.37 0.00 0.00 0.00 0.00 53.44 50.10 1ju3 n ALA 248 Cb 0.56 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 19.12 1ju3 n ALA 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ju3 s THR 249 N -3.95 4.63 0.35 0.00 2.01 -1.26 -4.82 115.64 112.60 1ju3 s THR 249 Ca 0.32 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1ju3 s THR 249 Cb 0.35 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 69.58 1ju3 s THR 249 CO -0.02 0.33 1.47 -2.84 -0.69 0.00 0.00 174.62 172.87 1ju3 s PRO 250 N 1.50 4.16 -0.04 4.92 0.02 -1.26 -4.80 135.00 139.49 1ju3 s PRO 250 Ca 0.06 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.58 1ju3 s PRO 250 Cb -0.15 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.40 1ju3 s PRO 250 CO 0.05 -0.49 0.02 0.00 -0.33 0.00 0.00 177.00 176.25 1ju3 s ALA 251 N -0.91 0.37 -0.53 -1.55 0.00 -1.03 -1.55 121.76 116.56 1ju3 s ALA 251 Ca 0.54 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1ju3 s ALA 251 Cb -0.45 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.28 1ju3 s ALA 251 CO 0.58 -0.28 0.52 -1.17 0.00 0.00 0.00 175.76 175.41 1ju3 s LEU 252 N 1.56 5.82 -0.22 0.00 0.20 -0.68 -0.82 118.68 124.52 1ju3 s LEU 252 Ca -0.02 -1.54 -0.11 0.00 0.69 0.00 0.00 54.13 53.15 1ju3 s LEU 252 Cb -0.13 -2.24 -0.05 0.00 -0.43 0.00 0.00 46.19 43.35 1ju3 s LEU 252 CO -0.03 -0.85 0.17 -0.63 -0.29 0.00 0.00 176.35 174.72 1ju3 s ILE 253 N 1.87 5.36 -0.01 6.68 1.01 0.08 -2.95 121.20 133.24 1ju3 s ILE 253 Ca 0.06 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.98 1ju3 s ILE 253 Cb -0.27 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1ju3 s ILE 253 CO 0.05 0.37 -0.15 -0.89 0.00 0.00 0.00 174.94 174.32 1ju3 s THR 254 N 0.87 3.00 0.26 2.92 2.01 -1.03 -1.35 115.64 122.32 1ju3 s THR 254 Ca 0.09 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1ju3 s THR 254 Cb -0.13 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1ju3 s THR 254 CO 0.03 0.47 0.31 0.00 -0.69 0.00 0.00 174.62 174.74 1ju3 s ALA 255 N -0.84 0.88 -0.01 7.40 0.00 -0.23 -0.81 121.76 128.17 1ju3 s ALA 255 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1ju3 s ALA 255 Cb -0.11 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.30 1ju3 s ALA 255 CO 0.03 -0.71 -0.01 0.20 0.00 0.00 0.00 175.76 175.28 1ju3 s GLY 256 N -3.18 0.10 0.59 0.00 0.00 -1.26 -2.15 107.32 101.41 1ju3 s GLY 256 Ca 0.34 -0.01 0.29 0.00 0.00 0.00 0.00 44.72 45.33 1ju3 s GLY 256 CO 0.16 0.07 2.20 1.49 0.00 0.00 0.00 173.10 177.02 1ju3 h TRP 257 N 6.33 0.00 -0.25 1.90 -0.00 -0.95 -1.73 115.95 121.25 1ju3 h TRP 257 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.60 1ju3 h TRP 257 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 1ju3 h TRP 257 CO 0.43 0.00 0.00 0.66 -0.00 0.00 0.00 178.44 179.53 1ju3 n TYR 258 N -3.87 0.68 -3.17 0.49 4.01 -0.69 -4.90 117.16 109.72 1ju3 n TYR 258 Ca -0.02 -0.76 -0.39 0.00 -0.16 0.00 0.00 57.90 56.57 1ju3 n TYR 258 Cb 0.16 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 1ju3 n TYR 258 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ju3 s ASP 259 N -1.71 7.11 0.62 7.72 -1.08 -0.65 -4.18 116.67 124.51 1ju3 s ASP 259 Ca 0.34 1.32 0.34 0.00 -0.52 0.00 0.00 52.55 54.03 1ju3 s ASP 259 Cb 0.26 -2.40 1.92 0.00 -1.46 0.00 0.00 42.92 41.24 1ju3 s ASP 259 CO 0.10 0.18 2.19 1.23 0.52 0.00 0.00 175.17 179.39 1ju3 h GLY 260 N 4.97 0.00 -1.29 2.66 0.00 -1.85 -1.77 103.07 105.78 1ju3 h GLY 260 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ju3 h GLY 260 CO 0.67 0.00 -0.04 0.69 0.00 0.00 0.00 176.54 177.86 1ju3 n PHE 261 N -3.49 0.00 -0.23 5.60 3.01 -1.26 -4.66 117.46 116.42 1ju3 n PHE 261 Ca -0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 1ju3 n PHE 261 Cb 0.20 -0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.81 1ju3 n PHE 261 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1ju3 h VAL 262 N 3.64 0.43 -0.58 -4.37 3.04 -1.55 0.96 116.25 117.82 1ju3 h VAL 262 Ca 0.00 -0.05 0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1ju3 h VAL 262 Cb 0.80 0.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.32 1ju3 h VAL 262 CO 0.00 0.03 0.37 1.23 -1.01 0.00 0.00 177.57 178.18 1ju3 h GLY 263 N 0.14 0.82 1.90 3.17 0.00 -1.83 -1.71 103.07 105.56 1ju3 h GLY 263 Ca 0.38 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 47.24 1ju3 h GLY 263 CO -0.58 0.25 -0.86 0.83 0.00 0.00 0.00 176.54 176.18 1ju3 h GLU 264 N 0.73 0.09 -0.37 4.80 4.39 -1.65 -2.36 114.58 120.20 1ju3 h GLU 264 Ca 0.22 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1ju3 h GLU 264 Cb -0.02 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1ju3 h GLU 264 CO -0.08 0.89 0.10 0.77 -1.16 0.00 0.00 179.01 179.54 1ju3 h SER 265 N 0.04 0.55 -0.16 1.42 0.02 -0.57 -2.00 113.55 112.86 1ju3 h SER 265 Ca -0.03 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 1ju3 h SER 265 Cb 1.50 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1ju3 h SER 265 CO 0.12 0.62 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.09 1ju3 h LEU 266 N 0.45 0.64 -1.33 5.07 3.38 -1.32 -2.78 115.31 119.42 1ju3 h LEU 266 Ca 0.12 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1ju3 h LEU 266 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ju3 h LEU 266 CO -0.00 0.89 -0.30 0.03 0.09 0.00 0.00 178.44 179.14 1ju3 h ARG 267 N 0.54 0.05 -0.05 1.13 3.08 -1.22 -2.15 114.38 115.76 1ju3 h ARG 267 Ca 0.07 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1ju3 h ARG 267 Cb 0.75 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1ju3 h ARG 267 CO 0.06 0.35 -0.51 1.79 -1.07 0.00 0.00 179.97 180.59 1ju3 h THR 268 N 0.05 1.36 -0.18 2.04 1.35 -1.08 -1.82 112.91 114.62 1ju3 h THR 268 Ca 0.00 -1.76 -0.02 0.00 -0.55 0.00 0.00 66.41 64.09 1ju3 h THR 268 Cb 0.57 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1ju3 h THR 268 CO 0.04 0.51 0.02 0.15 -0.25 0.00 0.00 175.52 176.00 1ju3 h PHE 269 N 0.11 0.33 -0.36 4.73 3.57 -1.29 -2.48 116.94 121.54 1ju3 h PHE 269 Ca 0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ju3 h PHE 269 Cb 0.94 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1ju3 h PHE 269 CO 0.01 0.48 0.12 0.28 -2.23 0.00 0.00 178.31 176.97 1ju3 h VAL 270 N 0.08 1.15 0.00 1.41 2.07 -1.31 -1.48 116.25 118.18 1ju3 h VAL 270 Ca 0.05 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1ju3 h VAL 270 Cb 0.33 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ju3 h VAL 270 CO 0.01 0.19 -0.60 0.00 0.02 0.00 0.00 177.57 177.19 1ju3 h ALA 271 N 1.62 0.91 0.00 1.67 0.00 -1.11 -3.34 119.26 119.01 1ju3 h ALA 271 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ju3 h ALA 271 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ju3 h ALA 271 CO -0.01 0.75 -0.70 1.33 0.00 0.00 0.00 179.25 180.62 1ju3 n VAL 272 N -3.69 0.00 0.23 0.00 0.24 -0.95 -4.16 118.33 110.00 1ju3 n VAL 272 Ca -0.01 -0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1ju3 n VAL 272 Cb 0.63 0.88 0.66 0.00 -1.47 0.00 0.00 33.84 34.54 1ju3 n VAL 272 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1ju3 h LYS 273 N 0.00 0.00 0.07 7.34 2.10 -1.40 -2.90 116.57 121.78 1ju3 h LYS 273 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1ju3 h LYS 273 Cb 0.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1ju3 h LYS 273 CO 0.00 0.00 -1.09 -0.44 -2.00 0.00 0.00 179.45 175.92 1ju3 h ASP 274 N 0.00 0.34 0.23 7.07 3.32 -1.85 -3.36 116.42 122.17 1ju3 h ASP 274 Ca 0.03 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ju3 h ASP 274 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ju3 h ASP 274 CO -0.00 1.21 -0.78 0.59 -1.72 0.00 0.00 179.24 178.54 1ju3 n ASN 275 N -3.56 0.77 -3.44 6.45 3.02 -1.16 -5.01 115.26 112.32 1ju3 n ASN 275 Ca -0.06 -0.65 -0.09 0.00 -0.03 0.00 0.00 54.58 53.75 1ju3 n ASN 275 Cb 0.94 0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 40.77 1ju3 n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ju3 s ALA 276 N -3.00 -0.70 -0.80 5.41 0.00 -1.10 -4.69 121.76 116.86 1ju3 s ALA 276 Ca 0.09 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 1ju3 s ALA 276 Cb 0.17 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1ju3 s ALA 276 CO 0.79 -0.97 1.54 0.34 0.00 0.00 0.00 175.76 177.46 1ju3 s ASP 277 N -3.02 5.92 -0.09 0.00 2.15 -1.26 -4.52 116.67 115.84 1ju3 s ASP 277 Ca 0.16 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.54 1ju3 s ASP 277 Cb -0.04 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1ju3 s ASP 277 CO 0.10 -1.99 0.08 0.00 -0.17 0.00 0.00 175.17 173.19 1ju3 s ALA 278 N 6.85 3.63 0.09 3.66 0.00 -1.26 -2.47 121.76 132.25 1ju3 s ALA 278 Ca 0.49 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.80 1ju3 s ALA 278 Cb -0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1ju3 s ALA 278 CO 0.08 0.62 -0.20 1.03 0.00 0.00 0.00 175.76 177.28 1ju3 s ARG 279 N -1.08 1.17 -0.03 0.00 1.81 -0.00 -4.91 118.95 115.89 1ju3 s ARG 279 Ca 0.16 -1.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.08 1ju3 s ARG 279 Cb -0.12 -1.38 0.01 0.00 -0.45 0.00 0.00 34.95 33.01 1ju3 s ARG 279 CO 0.05 0.33 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.78 1ju3 s LEU 280 N -1.72 1.52 -0.09 2.53 2.96 -0.42 -0.74 118.68 122.73 1ju3 s LEU 280 Ca 0.06 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1ju3 s LEU 280 Cb -0.10 -0.40 0.03 0.00 0.50 0.00 0.00 46.19 46.22 1ju3 s LEU 280 CO 0.04 -0.02 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.32 1ju3 s VAL 281 N 0.60 0.68 -0.11 1.68 1.01 -0.46 -0.33 120.40 123.47 1ju3 s VAL 281 Ca -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ju3 s VAL 281 Cb -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1ju3 s VAL 281 CO 0.00 0.31 -0.08 -0.69 0.00 0.00 0.00 175.10 174.64 1ju3 s VAL 282 N 1.78 1.07 0.56 2.92 1.01 -0.24 -1.07 120.40 126.43 1ju3 s VAL 282 Ca 0.04 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1ju3 s VAL 282 Cb -0.13 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.23 1ju3 s VAL 282 CO -0.06 0.37 0.52 -0.83 0.00 0.00 0.00 175.10 175.10 1ju3 s GLY 283 N 1.65 2.19 -0.19 4.51 0.00 -0.91 -0.89 107.32 113.68 1ju3 s GLY 283 Ca 0.04 -1.50 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1ju3 s GLY 283 CO -0.08 -1.87 1.36 -1.55 0.00 0.00 0.00 173.10 170.95 1ju3 n PRO 284 N -1.92 1.75 -2.85 2.90 -0.04 -1.26 -0.66 135.00 132.91 1ju3 n PRO 284 Ca 0.03 -1.36 -0.29 0.00 -0.04 0.00 0.00 63.50 61.85 1ju3 n PRO 284 Cb 0.64 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1ju3 n PRO 284 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1ju3 s TRP 285 N -1.53 3.51 0.40 0.54 0.51 -1.26 -4.60 118.94 116.52 1ju3 s TRP 285 Ca 0.25 0.86 0.08 0.00 -2.12 0.00 0.00 56.10 55.17 1ju3 s TRP 285 Cb 0.21 -2.31 -0.03 0.00 -0.81 0.00 0.00 33.47 30.53 1ju3 s TRP 285 CO 0.05 -0.13 0.34 -1.54 -0.51 0.00 0.00 176.95 175.16 1ju3 s SER 286 N -3.60 4.99 0.25 2.95 1.04 -0.72 -1.70 113.70 116.91 1ju3 s SER 286 Ca 0.48 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 1ju3 s SER 286 Cb -0.10 -0.61 0.39 0.00 0.10 0.00 0.00 66.02 65.79 1ju3 s SER 286 CO 0.37 -0.59 1.85 -0.74 0.98 0.00 0.00 173.24 175.11 1ju3 h HIS 287 N 1.12 1.02 -0.02 5.02 2.76 -1.78 -2.92 115.15 120.36 1ju3 h HIS 287 Ca -0.42 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 1ju3 h HIS 287 Cb 1.26 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.89 1ju3 h HIS 287 CO 0.53 0.49 -0.37 -1.13 -1.30 0.00 0.00 177.93 176.15 1ju3 n SER 288 N -4.62 2.12 -3.81 3.26 3.41 -1.26 -4.82 113.62 107.90 1ju3 n SER 288 Ca 0.14 -1.56 -0.30 0.00 -0.26 0.00 0.00 58.87 56.89 1ju3 n SER 288 Cb 0.22 0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 1ju3 n SER 288 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ju3 s ASN 289 N -2.28 4.06 -0.10 4.04 2.47 -1.10 -4.95 114.94 117.09 1ju3 s ASN 289 Ca 0.19 -1.62 0.14 0.00 0.42 0.00 0.00 52.86 51.99 1ju3 s ASN 289 Cb 0.17 -1.02 0.45 0.00 -1.45 0.00 0.00 41.25 39.41 1ju3 s ASN 289 CO 0.50 -0.38 1.37 0.18 -3.72 0.00 0.00 177.10 175.05 1ju3 n LEU 290 N 4.73 3.57 0.14 3.21 4.32 -1.26 -1.75 117.00 129.97 1ju3 n LEU 290 Ca -0.03 -2.53 0.03 0.00 -0.02 0.00 0.00 56.01 53.47 1ju3 n LEU 290 Cb 0.43 -0.41 0.03 0.00 -1.62 0.00 0.00 43.42 41.84 1ju3 n LEU 290 CO 0.14 0.71 0.48 0.71 -1.22 0.00 0.00 177.39 178.21 1ju3 h THR 291 N 2.12 0.80 0.00 -5.08 1.35 -1.92 -0.95 112.91 109.24 1ju3 h THR 291 Ca 0.00 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1ju3 h THR 291 Cb 1.14 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1ju3 h THR 291 CO 0.13 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1ju3 n GLY 292 N 1.22 1.23 3.46 5.82 0.00 -1.26 -3.87 105.19 111.79 1ju3 n GLY 292 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ju3 n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ju3 s ARG 293 N -0.31 3.61 0.19 1.61 0.52 -1.26 -1.13 118.95 122.19 1ju3 s ARG 293 Ca 0.00 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1ju3 s ARG 293 Cb 0.00 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 1ju3 s ARG 293 CO 0.00 0.17 -0.01 -0.80 0.02 0.00 0.00 175.30 174.68 1ju3 s ASN 294 N 0.54 1.50 0.26 0.23 0.01 -0.38 -5.00 114.94 112.10 1ju3 s ASN 294 Ca -0.03 -1.17 -0.04 0.00 -0.71 0.00 0.00 52.86 50.91 1ju3 s ASN 294 Cb -0.14 0.07 0.55 0.00 0.41 0.00 0.00 41.25 42.13 1ju3 s ASN 294 CO 0.03 -0.52 1.63 0.00 -1.51 0.00 0.00 177.10 176.72 1ju3 h ALA 295 N 2.62 0.96 0.00 0.60 0.00 -1.93 -3.05 119.26 118.46 1ju3 h ALA 295 Ca -0.37 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ju3 h ALA 295 Cb 1.21 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ju3 h ALA 295 CO 0.63 -0.45 -0.10 -0.25 0.00 0.00 0.00 179.25 179.08 1ju3 n ASP 296 N -5.33 1.61 -3.66 0.00 9.92 -1.26 -5.01 116.55 112.82 1ju3 n ASP 296 Ca 0.17 -2.48 -0.05 0.00 -0.53 0.00 0.00 54.79 51.89 1ju3 n ASP 296 Cb 0.56 -0.26 -0.07 0.00 -0.64 0.00 0.00 41.12 40.71 1ju3 n ASP 296 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ju3 s ARG 297 N -1.69 0.43 -0.15 -1.24 6.06 -1.15 -4.96 118.95 116.26 1ju3 s ARG 297 Ca 0.17 1.21 -0.01 0.00 -2.50 0.00 0.00 55.73 54.60 1ju3 s ARG 297 Cb 0.14 0.55 -0.01 0.00 0.06 0.00 0.00 34.95 35.69 1ju3 s ARG 297 CO 0.02 -0.23 -0.12 0.15 -2.50 0.00 0.00 175.30 172.61 1ju3 s LYS 298 N 2.69 3.34 0.00 5.12 1.02 -1.26 -1.25 119.74 129.40 1ju3 s LYS 298 Ca -0.04 -0.69 0.25 0.00 0.02 0.00 0.00 55.97 55.51 1ju3 s LYS 298 Cb -0.12 -2.69 0.46 0.00 -0.52 0.00 0.00 37.83 34.96 1ju3 s LYS 298 CO -0.15 0.10 1.38 1.19 -0.92 0.00 0.00 175.35 176.95 1ju3 n PHE 299 N 3.86 0.00 0.00 3.18 3.72 -0.28 -5.04 117.46 122.90 1ju3 n PHE 299 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1ju3 n PHE 299 Cb 0.52 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1ju3 n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ju3 n GLY 300 N 1.36 1.97 0.29 1.37 0.00 -1.26 -4.46 105.19 104.46 1ju3 n GLY 300 Ca 0.12 -1.85 0.17 0.00 0.00 0.00 0.00 46.02 44.46 1ju3 n GLY 300 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ju3 h ILE 301 N 0.00 0.19 0.00 -0.61 3.07 -1.94 -1.66 117.51 116.56 1ju3 h ILE 301 Ca 0.00 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1ju3 h ILE 301 Cb 0.00 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 1ju3 h ILE 301 CO 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 178.15 177.14 1ju3 h ALA 302 N 1.95 1.00 0.00 0.16 0.00 -1.96 -2.63 119.26 117.79 1ju3 h ALA 302 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ju3 h ALA 302 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ju3 h ALA 302 CO 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.93 1ju3 h ALA 303 N 2.08 0.84 -2.68 0.00 0.00 -1.52 -3.46 119.26 114.52 1ju3 h ALA 303 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1ju3 h ALA 303 Cb 0.45 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.32 1ju3 h ALA 303 CO 0.00 0.00 0.88 2.41 0.00 0.00 0.00 179.25 182.54 1ju3 n THR 304 N -2.93 0.74 -1.32 0.00 -1.04 -0.99 -4.51 114.28 104.22 1ju3 n THR 304 Ca 0.03 -0.18 -0.56 0.00 -2.04 0.00 0.00 64.05 61.30 1ju3 n THR 304 Cb 0.53 -1.90 -0.11 0.00 -1.82 0.00 0.00 70.33 67.03 1ju3 n THR 304 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ju3 n TYR 305 N 2.59 1.21 -1.90 -1.42 9.36 -0.36 -4.78 117.16 121.85 1ju3 n TYR 305 Ca 0.11 0.61 -0.39 0.00 3.32 0.00 0.00 57.90 61.56 1ju3 n TYR 305 Cb 0.35 -2.36 -0.03 0.00 -0.63 0.00 0.00 39.34 36.68 1ju3 n TYR 305 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ju3 n PRO 306 N 7.77 2.25 -0.28 2.98 -0.04 -1.26 -4.82 135.00 141.60 1ju3 n PRO 306 Ca 0.53 -2.55 0.03 0.00 -0.04 0.00 0.00 63.50 61.46 1ju3 n PRO 306 Cb 0.03 -3.38 0.16 0.00 -0.04 0.00 0.00 33.50 30.28 1ju3 n PRO 306 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1ju3 h ILE 307 N 5.14 0.89 -0.15 0.52 2.10 -1.89 0.59 117.51 124.71 1ju3 h ILE 307 Ca 0.40 -0.26 -0.18 0.00 1.08 0.00 0.00 64.86 65.90 1ju3 h ILE 307 Cb 0.79 0.08 -0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1ju3 h ILE 307 CO 1.61 0.14 -0.65 -0.61 -1.08 0.00 0.00 178.15 177.56 1ju3 h GLN 308 N 0.75 0.58 -0.26 2.19 5.75 -1.94 -0.76 115.11 121.41 1ju3 h GLN 308 Ca 0.39 -0.41 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 1ju3 h GLN 308 Cb 0.38 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1ju3 h GLN 308 CO -0.26 1.03 -0.31 0.93 -2.65 0.00 0.00 178.83 177.58 1ju3 h GLU 309 N 0.42 0.54 -0.39 1.69 5.08 -1.86 -1.14 114.58 118.93 1ju3 h GLU 309 Ca -0.01 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 57.98 1ju3 h GLU 309 Cb 1.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ju3 h GLU 309 CO 0.12 0.79 -0.27 0.00 -1.00 0.00 0.00 179.01 178.65 1ju3 h ALA 310 N 1.19 0.79 -0.51 3.43 0.00 -0.73 -1.18 119.26 122.24 1ju3 h ALA 310 Ca 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1ju3 h ALA 310 Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ju3 h ALA 310 CO 0.06 0.65 0.10 1.15 0.00 0.00 0.00 179.25 181.22 1ju3 h THR 311 N 0.70 1.25 -0.57 0.00 2.02 -0.68 -0.09 112.91 115.54 1ju3 h THR 311 Ca 0.08 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 1ju3 h THR 311 Cb 0.81 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1ju3 h THR 311 CO 0.07 0.32 0.11 0.74 0.37 0.00 0.00 175.52 177.13 1ju3 h THR 312 N 0.72 1.25 -0.41 3.16 2.02 -1.08 -0.81 112.91 117.76 1ju3 h THR 312 Ca 0.16 -0.95 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1ju3 h THR 312 Cb 0.37 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ju3 h THR 312 CO 0.01 0.35 -0.19 -0.03 0.37 0.00 0.00 175.52 176.03 1ju3 h MET 313 N 0.84 0.86 -0.68 6.66 -1.53 -0.97 -1.72 114.93 118.38 1ju3 h MET 313 Ca 0.18 -0.37 -0.08 0.00 -3.44 0.00 0.00 59.70 55.99 1ju3 h MET 313 Cb 0.40 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 1ju3 h MET 313 CO 0.01 1.01 0.13 0.45 0.14 0.00 0.00 176.91 178.65 1ju3 h HIS 314 N 0.67 1.18 -0.58 1.39 3.86 -0.84 -0.88 115.15 119.95 1ju3 h HIS 314 Ca 0.09 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1ju3 h HIS 314 Cb 0.75 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1ju3 h HIS 314 CO 0.06 0.98 0.19 -0.22 0.86 0.00 0.00 177.93 179.80 1ju3 h LYS 315 N 1.04 0.89 -0.40 2.45 3.64 -1.02 0.29 116.57 123.47 1ju3 h LYS 315 Ca 0.21 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1ju3 h LYS 315 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1ju3 h LYS 315 CO 0.01 0.80 -0.15 0.00 -2.27 0.00 0.00 179.45 177.83 1ju3 h ALA 316 N 1.05 0.98 -0.23 5.00 0.00 -1.10 0.16 119.26 125.12 1ju3 h ALA 316 Ca 0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1ju3 h ALA 316 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ju3 h ALA 316 CO -0.01 0.60 -0.05 0.35 0.00 0.00 0.00 179.25 180.14 1ju3 h PHE 317 N 0.66 0.50 -0.03 0.00 3.57 -0.83 -2.13 116.94 118.69 1ju3 h PHE 317 Ca 0.11 -0.11 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1ju3 h PHE 317 Cb 0.63 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1ju3 h PHE 317 CO 0.03 0.67 -0.56 0.74 -2.23 0.00 0.00 178.31 176.96 1ju3 h PHE 318 N 0.18 0.12 -0.22 0.41 0.04 -0.76 -2.48 116.94 114.22 1ju3 h PHE 318 Ca 0.06 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 1ju3 h PHE 318 Cb 0.51 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1ju3 h PHE 318 CO 0.05 0.64 -0.23 -0.44 -0.60 0.00 0.00 178.31 177.72 1ju3 h ASP 319 N 0.07 0.40 -0.01 2.17 3.32 -0.51 0.12 116.42 121.97 1ju3 h ASP 319 Ca -0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 1ju3 h ASP 319 Cb 1.02 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.47 1ju3 h ASP 319 CO 0.08 0.64 -0.42 -0.09 -1.72 0.00 0.00 179.24 177.73 1ju3 h ARG 320 N 0.36 0.30 0.00 3.56 2.43 -1.23 -1.75 114.38 118.06 1ju3 h ARG 320 Ca 0.06 -0.31 -0.21 0.00 -0.81 0.00 0.00 59.98 58.71 1ju3 h ARG 320 Cb 0.61 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1ju3 h ARG 320 CO 0.04 1.00 -1.50 0.72 -1.51 0.00 0.00 179.97 178.72 1ju3 n HIS 321 N -4.36 1.00 -0.05 2.20 8.25 -0.95 -2.87 115.22 118.43 1ju3 n HIS 321 Ca -0.10 0.34 -0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1ju3 n HIS 321 Cb 0.58 -1.12 -0.14 0.00 1.12 0.00 0.00 29.99 30.42 1ju3 n HIS 321 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ju3 n LEU 322 N -2.94 0.00 -0.00 2.41 4.32 0.40 -4.57 117.00 116.62 1ju3 n LEU 322 Ca -0.12 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 55.94 1ju3 n LEU 322 Cb 0.91 0.24 -0.09 0.00 -1.62 0.00 0.00 43.42 42.86 1ju3 n LEU 322 CO 0.44 0.24 -0.23 0.54 -1.22 0.00 0.00 177.39 177.15 1ju3 n ARG 323 N -2.43 1.85 -1.15 3.23 1.74 -1.13 -4.84 116.66 113.93 1ju3 n ARG 323 Ca -0.17 -0.04 -0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1ju3 n ARG 323 Cb 0.81 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 31.05 1ju3 n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ju3 n GLY 324 N 1.44 0.39 3.52 -0.13 0.00 -1.03 -4.99 105.19 104.39 1ju3 n GLY 324 Ca 0.01 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1ju3 n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ju3 s GLU 325 N -2.31 3.50 0.54 1.61 2.02 -0.69 -4.89 118.70 118.49 1ju3 s GLU 325 Ca 0.00 -1.18 0.30 0.00 0.02 0.00 0.00 54.97 54.12 1ju3 s GLU 325 Cb 0.00 -4.99 1.47 0.00 0.10 0.00 0.00 34.13 30.71 1ju3 s GLU 325 CO 0.00 -2.04 1.91 1.79 0.02 0.00 0.00 175.26 176.94 1ju3 h THR 326 N 6.35 0.57 -0.52 3.63 1.35 -1.87 -2.13 112.91 120.29 1ju3 h THR 326 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1ju3 h THR 326 Cb 1.02 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1ju3 h THR 326 CO 1.30 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 177.04 1ju3 n ASP 327 N -4.25 3.99 0.18 5.36 8.00 -1.26 -4.63 116.55 123.94 1ju3 n ASP 327 Ca 0.17 -2.33 0.04 0.00 0.71 0.00 0.00 54.79 53.38 1ju3 n ASP 327 Cb 0.89 -0.46 0.47 0.00 -0.02 0.00 0.00 41.12 42.00 1ju3 n ASP 327 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ju3 h ALA 328 N 3.19 1.66 -0.81 2.24 0.00 -1.69 -2.78 119.26 121.08 1ju3 h ALA 328 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 1ju3 h ALA 328 Cb 1.17 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 1ju3 h ALA 328 CO 0.13 0.25 0.38 1.28 0.00 0.00 0.00 179.25 181.29 1ju3 n LEU 329 N -4.33 6.27 -4.70 0.00 4.77 -1.26 -4.82 117.00 112.92 1ju3 n LEU 329 Ca -0.02 -3.29 -0.42 0.00 -0.03 0.00 0.00 56.01 52.25 1ju3 n LEU 329 Cb 0.23 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 1ju3 n LEU 329 CO 0.37 0.87 1.05 0.00 -1.33 0.00 0.00 177.39 178.34 1ju3 s ALA 330 N -3.03 3.55 0.00 -1.18 0.00 -1.05 -2.60 121.76 117.44 1ju3 s ALA 330 Ca 0.55 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1ju3 s ALA 330 Cb 0.45 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1ju3 s ALA 330 CO 0.13 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1ju3 n GLY 331 N 3.50 2.31 3.68 0.00 0.00 -1.26 -5.01 105.19 108.40 1ju3 n GLY 331 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ju3 n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ju3 s VAL 332 N -2.48 4.91 0.79 1.61 1.01 -1.07 -5.05 120.40 120.12 1ju3 s VAL 332 Ca 0.00 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 1ju3 s VAL 332 Cb 0.00 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.33 1ju3 s VAL 332 CO 0.00 0.07 1.09 -2.16 0.00 0.00 0.00 175.10 174.10 1ju3 s PRO 333 N 1.88 2.08 0.06 2.72 0.04 -1.26 -4.98 135.00 135.55 1ju3 s PRO 333 Ca 0.38 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1ju3 s PRO 333 Cb -0.17 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 1ju3 s PRO 333 CO 0.14 -1.74 1.25 -0.22 0.04 0.00 0.00 177.00 176.47 1ju3 h LYS 334 N -1.19 0.61 -4.60 4.56 1.63 -1.88 -3.45 116.57 112.24 1ju3 h LYS 334 Ca -0.45 -0.51 -0.42 0.00 -0.85 0.00 0.00 60.65 58.42 1ju3 h LYS 334 Cb 1.24 0.11 -0.31 0.00 -0.60 0.00 0.00 32.23 32.67 1ju3 h LYS 334 CO 0.52 1.13 -0.79 0.08 -3.45 0.00 0.00 179.45 176.95 1ju3 s VAL 335 N -3.67 0.77 -0.17 2.00 1.01 -0.89 -1.29 120.40 118.16 1ju3 s VAL 335 Ca -0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1ju3 s VAL 335 Cb 0.06 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.82 1ju3 s VAL 335 CO 0.85 0.24 -0.00 -0.60 0.00 0.00 0.00 175.10 175.59 1ju3 s ARG 336 N 0.14 0.95 0.04 2.72 3.52 0.55 -0.21 118.95 126.66 1ju3 s ARG 336 Ca -0.02 -0.41 0.08 0.00 -0.13 0.00 0.00 55.73 55.25 1ju3 s ARG 336 Cb -0.08 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 1ju3 s ARG 336 CO 0.00 -0.52 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.23 1ju3 s LEU 337 N 1.77 2.34 -0.44 -0.88 1.43 -0.35 -1.07 118.68 121.47 1ju3 s LEU 337 Ca 0.00 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 1ju3 s LEU 337 Cb -0.16 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.71 1ju3 s LEU 337 CO -0.07 0.26 0.52 0.12 0.23 0.00 0.00 176.35 177.41 1ju3 s PHE 338 N -0.84 3.13 -0.41 0.29 5.36 -0.07 -0.26 117.98 125.18 1ju3 s PHE 338 Ca 0.13 -0.34 -0.24 0.00 -0.96 0.00 0.00 56.93 55.51 1ju3 s PHE 338 Cb -0.10 -3.12 0.02 0.00 -0.34 0.00 0.00 43.02 39.48 1ju3 s PHE 338 CO 0.03 -0.80 0.86 0.08 -1.46 0.00 0.00 175.22 173.92 1ju3 s VAL 339 N 2.37 4.61 0.73 3.12 1.01 -0.04 -4.75 120.40 127.45 1ju3 s VAL 339 Ca 0.15 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 1ju3 s VAL 339 Cb -0.17 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.92 1ju3 s VAL 339 CO 0.14 -0.62 1.07 -0.04 0.00 0.00 0.00 175.10 175.66 1ju3 s MET 340 N 3.40 2.65 0.00 2.72 1.00 -0.40 -1.87 119.30 126.80 1ju3 s MET 340 Ca 0.34 0.95 0.00 0.00 0.00 0.00 0.00 55.69 56.98 1ju3 s MET 340 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 34.83 32.75 1ju3 s MET 340 CO 0.21 -1.30 0.00 0.41 0.00 0.00 0.00 175.02 174.34 1ju3 n GLY 341 N -1.84 2.00 0.12 -0.03 0.00 -1.26 -0.49 105.19 103.69 1ju3 n GLY 341 Ca 0.08 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1ju3 n GLY 341 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ju3 h ILE 342 N 0.00 0.00 -6.29 -0.61 3.07 -1.78 -3.48 117.51 108.42 1ju3 h ILE 342 Ca 0.00 -0.52 -0.45 0.00 1.55 0.00 0.00 64.86 65.44 1ju3 h ILE 342 Cb 0.00 1.51 0.05 0.00 -0.27 0.00 0.00 36.82 38.12 1ju3 h ILE 342 CO 0.00 0.00 -0.92 0.47 -1.05 0.00 0.00 178.15 176.65 1ju3 n ASP 343 N -2.35 -3.95 -4.00 2.16 8.00 -0.78 -5.01 116.55 110.62 1ju3 n ASP 343 Ca 0.05 -1.01 -0.11 0.00 0.71 0.00 0.00 54.79 54.43 1ju3 n ASP 343 Cb 0.43 -3.31 -0.12 0.00 -0.02 0.00 0.00 41.12 38.11 1ju3 n ASP 343 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ju3 s GLU 344 N -6.14 0.36 0.18 -1.24 2.02 -0.91 -4.98 118.70 108.00 1ju3 s GLU 344 Ca 0.35 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.47 1ju3 s GLU 344 Cb -0.13 -0.06 -0.08 0.00 0.10 0.00 0.00 34.13 33.96 1ju3 s GLU 344 CO 0.87 -0.00 0.87 -1.58 0.02 0.00 0.00 175.26 175.44 1ju3 s TRP 345 N -1.23 3.92 -0.02 1.61 0.52 -1.26 -0.86 118.94 121.62 1ju3 s TRP 345 Ca -0.12 1.77 -0.01 0.00 0.02 0.00 0.00 56.10 57.77 1ju3 s TRP 345 Cb -0.09 -2.91 0.01 0.00 -1.15 0.00 0.00 33.47 29.34 1ju3 s TRP 345 CO -0.00 0.43 0.04 0.50 0.02 0.00 0.00 176.95 177.93 1ju3 s ARG 346 N -0.91 0.02 0.08 4.98 3.52 0.64 -4.94 118.95 122.34 1ju3 s ARG 346 Ca 0.40 0.11 -0.25 0.00 -0.13 0.00 0.00 55.73 55.85 1ju3 s ARG 346 Cb -0.24 -0.07 -0.06 0.00 -1.56 0.00 0.00 34.95 33.02 1ju3 s ARG 346 CO 0.29 -0.06 0.78 -0.51 -0.81 0.00 0.00 175.30 174.99 1ju3 s ASP 347 N 0.39 7.27 0.17 -2.12 1.01 -1.26 -1.21 116.67 120.93 1ju3 s ASP 347 Ca -0.03 1.52 0.04 0.00 0.71 0.00 0.00 52.55 54.79 1ju3 s ASP 347 Cb -0.05 -2.48 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1ju3 s ASP 347 CO -0.01 0.07 -0.08 -1.61 0.21 0.00 0.00 175.17 173.75 1ju3 s GLU 348 N -0.36 1.16 0.04 8.23 0.41 0.71 -4.98 118.70 123.90 1ju3 s GLU 348 Ca 0.38 -1.52 0.23 0.00 -0.41 0.00 0.00 54.97 53.64 1ju3 s GLU 348 Cb -0.21 -0.66 -0.04 0.00 -1.78 0.00 0.00 34.13 31.44 1ju3 s GLU 348 CO 0.24 0.04 0.93 0.25 -0.49 0.00 0.00 175.26 176.23 1ju3 n THR 349 N -0.27 0.15 -3.52 3.63 -2.24 -1.26 -2.09 114.28 108.67 1ju3 n THR 349 Ca -0.09 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1ju3 n THR 349 Cb 0.61 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1ju3 n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ju3 s ASP 350 N -3.99 -0.40 -0.09 3.42 -1.08 -1.26 -4.73 116.67 108.54 1ju3 s ASP 350 Ca 0.02 -0.08 -0.01 0.00 -0.52 0.00 0.00 52.55 51.96 1ju3 s ASP 350 Cb 0.14 0.48 0.03 0.00 -1.46 0.00 0.00 42.92 42.12 1ju3 s ASP 350 CO 0.82 -0.80 -0.00 0.86 0.52 0.00 0.00 175.17 176.57 1ju3 s TRP 351 N -3.38 0.79 0.69 -5.34 -0.11 -1.26 -3.63 118.94 106.70 1ju3 s TRP 351 Ca 0.05 -0.30 -0.16 0.00 1.22 0.00 0.00 56.10 56.91 1ju3 s TRP 351 Cb -0.01 -0.87 0.02 0.00 -1.50 0.00 0.00 33.47 31.10 1ju3 s TRP 351 CO -0.08 -0.38 1.21 -2.14 -4.62 0.00 0.00 176.95 170.94 1ju3 s PRO 352 N 1.93 2.38 0.28 5.86 0.02 -1.26 -4.71 135.00 139.50 1ju3 s PRO 352 Ca 0.04 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 1ju3 s PRO 352 Cb -0.13 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1ju3 s PRO 352 CO -0.06 -1.66 1.53 1.28 -0.33 0.00 0.00 177.00 177.76 1ju3 n LEU 353 N -2.39 3.96 -0.33 -5.54 4.32 -1.24 -4.91 117.00 110.88 1ju3 n LEU 353 Ca 0.14 1.15 0.18 0.00 -0.02 0.00 0.00 56.01 57.46 1ju3 n LEU 353 Cb 0.50 -1.54 0.43 0.00 -1.62 0.00 0.00 43.42 41.19 1ju3 n LEU 353 CO 0.47 -0.06 1.20 -0.65 -1.22 0.00 0.00 177.39 177.13 1ju3 h PRO 354 N 4.50 0.52 -0.97 3.23 0.11 -1.98 -2.81 132.00 134.61 1ju3 h PRO 354 Ca -0.46 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.25 1ju3 h PRO 354 Cb 1.24 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 32.02 1ju3 h PRO 354 CO 0.77 0.35 0.47 -0.40 -0.21 0.00 0.00 178.00 178.98 1ju3 n ASP 355 N -4.70 3.71 -4.66 -2.05 5.75 -1.26 -4.98 116.55 108.36 1ju3 n ASP 355 Ca 0.24 -3.21 -0.43 0.00 -0.01 0.00 0.00 54.79 51.38 1ju3 n ASP 355 Cb 0.74 -0.76 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 1ju3 n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ju3 s THR 356 N -2.58 4.21 -0.50 2.12 2.01 -1.06 -4.68 115.64 115.15 1ju3 s THR 356 Ca 0.45 1.46 -0.13 0.00 0.31 0.00 0.00 61.69 63.77 1ju3 s THR 356 Cb 0.37 -3.96 0.12 0.00 0.01 0.00 0.00 72.50 69.04 1ju3 s THR 356 CO 0.09 -0.15 0.42 0.00 -0.69 0.00 0.00 174.62 174.30 1ju3 s ALA 357 N 3.61 3.54 -0.88 7.40 0.00 -0.39 -4.93 121.76 130.11 1ju3 s ALA 357 Ca 0.57 -2.46 -0.25 0.00 0.00 0.00 0.00 51.96 49.82 1ju3 s ALA 357 Cb -0.22 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ju3 s ALA 357 CO 0.16 -1.93 1.72 0.71 0.00 0.00 0.00 175.76 176.43 1ju3 s TYR 358 N 1.52 2.05 -0.24 0.00 2.02 -1.26 -1.01 117.35 120.43 1ju3 s TYR 358 Ca 0.04 0.14 -0.10 0.00 -0.37 0.00 0.00 57.07 56.78 1ju3 s TYR 358 Cb -0.28 -4.31 -0.05 0.00 -0.40 0.00 0.00 41.96 36.93 1ju3 s TYR 358 CO 0.02 -1.92 0.14 0.99 -1.57 0.00 0.00 175.55 173.21 1ju3 s THR 359 N 7.96 5.17 0.08 -0.71 2.01 -0.20 -4.87 115.64 125.08 1ju3 s THR 359 Ca 0.59 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 1ju3 s THR 359 Cb -0.06 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1ju3 s THR 359 CO 0.01 0.34 1.07 -2.84 -0.69 0.00 0.00 174.62 172.52 1ju3 s PRO 360 N 1.16 4.55 -0.31 4.92 0.02 -1.26 -0.93 135.00 143.15 1ju3 s PRO 360 Ca 0.07 1.60 0.01 0.00 0.02 0.00 0.00 61.00 62.70 1ju3 s PRO 360 Cb -0.14 -3.37 0.07 0.00 0.02 0.00 0.00 34.50 31.09 1ju3 s PRO 360 CO 0.05 -0.04 0.01 -0.06 -0.33 0.00 0.00 177.00 176.63 1ju3 s PHE 361 N 0.55 3.43 0.28 6.54 0.40 0.35 -4.46 117.98 125.07 1ju3 s PHE 361 Ca 0.52 -2.35 -0.29 0.00 -0.60 0.00 0.00 56.93 54.22 1ju3 s PHE 361 Cb -0.26 -2.40 -0.09 0.00 0.51 0.00 0.00 43.02 40.78 1ju3 s PHE 361 CO 0.30 -0.88 1.02 0.71 0.70 0.00 0.00 175.22 177.07 1ju3 s TYR 362 N 1.11 3.71 0.05 0.36 2.02 0.13 -1.52 117.35 123.21 1ju3 s TYR 362 Ca -0.01 1.78 -0.30 0.00 -0.37 0.00 0.00 57.07 58.18 1ju3 s TYR 362 Cb -0.20 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.19 1ju3 s TYR 362 CO -0.04 -0.12 1.01 -0.51 -1.57 0.00 0.00 175.55 174.31 1ju3 s LEU 363 N -1.50 4.41 0.00 -1.29 1.02 -0.66 -2.02 118.68 118.63 1ju3 s LEU 363 Ca 0.45 1.76 0.00 0.00 0.02 0.00 0.00 54.13 56.36 1ju3 s LEU 363 Cb -0.28 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.35 1ju3 s LEU 363 CO 0.35 -0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.10 1ju3 n GLY 364 N 2.71 3.20 0.00 -3.19 0.00 -0.43 -4.55 105.19 102.93 1ju3 n GLY 364 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ju3 n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ju3 n GLY 365 N 0.00 3.04 3.76 -0.02 0.00 -1.26 -0.97 105.19 109.73 1ju3 n GLY 365 Ca 0.00 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 1ju3 n GLY 365 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ju3 s SER 366 N 0.00 7.02 0.18 1.61 0.01 -1.24 -4.92 113.70 116.36 1ju3 s SER 366 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1ju3 s SER 366 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1ju3 s SER 366 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1ju3 n GLY 367 N 2.49 -1.16 3.76 3.44 0.00 -1.26 -4.14 105.19 108.32 1ju3 n GLY 367 Ca -0.06 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1ju3 n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ju3 s ALA 368 N -1.18 3.37 -2.18 4.61 0.00 -1.26 -4.79 121.76 120.33 1ju3 s ALA 368 Ca 0.00 0.49 0.18 0.00 0.00 0.00 0.00 51.96 52.63 1ju3 s ALA 368 Cb 0.00 -3.11 0.54 0.00 0.00 0.00 0.00 23.12 20.55 1ju3 s ALA 368 CO 0.00 0.20 1.42 0.00 0.00 0.00 0.00 175.76 177.39 1ju3 n ALA 369 N 1.78 2.46 -1.86 0.00 0.00 -1.26 -1.60 120.51 120.03 1ju3 n ALA 369 Ca -0.03 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.28 1ju3 n ALA 369 Cb 0.48 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1ju3 n ALA 369 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ju3 s ASN 370 N -1.29 6.62 0.32 0.00 -0.87 -1.26 -1.23 114.94 117.23 1ju3 s ASN 370 Ca 0.32 2.70 0.00 0.00 -1.57 0.00 0.00 52.86 54.32 1ju3 s ASN 370 Cb 0.17 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 1ju3 s ASN 370 CO 0.24 -0.72 0.00 0.35 -2.57 0.00 0.00 177.10 174.40 1ju3 n THR 371 N 2.22 -0.19 0.34 1.60 -2.24 -0.59 -3.50 114.28 111.91 1ju3 n THR 371 Ca 0.06 0.39 0.15 0.00 -2.27 0.00 0.00 64.05 62.38 1ju3 n THR 371 Cb 0.40 -0.68 0.57 0.00 -2.10 0.00 0.00 70.33 68.53 1ju3 n THR 371 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ju3 h SER 372 N -0.84 0.00 -0.58 3.42 4.64 -1.73 -2.72 113.55 115.74 1ju3 h SER 372 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ju3 h SER 372 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1ju3 h SER 372 CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 1ju3 n THR 373 N -2.67 0.78 -1.05 2.95 -2.24 -1.26 -4.95 114.28 105.84 1ju3 n THR 373 Ca 0.02 -0.79 -0.04 0.00 -2.27 0.00 0.00 64.05 60.97 1ju3 n THR 373 Cb 0.28 0.43 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1ju3 n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ju3 n GLY 374 N 1.45 -1.34 1.46 3.38 0.00 -1.02 -5.00 105.19 104.12 1ju3 n GLY 374 Ca 0.20 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1ju3 n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ju3 n GLY 375 N 3.60 2.56 3.72 -0.02 0.00 -0.63 -4.97 105.19 109.45 1ju3 n GLY 375 Ca 0.02 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1ju3 n GLY 375 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ju3 s GLY 376 N -0.96 1.47 0.22 -0.02 0.00 -1.24 -3.61 107.32 103.18 1ju3 s GLY 376 Ca 0.50 1.46 0.07 0.00 0.00 0.00 0.00 44.72 46.76 1ju3 s GLY 376 CO 0.31 2.71 -0.11 -0.51 0.00 0.00 0.00 173.10 175.50 1ju3 s THR 377 N 1.07 1.66 -0.05 0.90 -4.23 -0.15 -2.13 115.64 112.71 1ju3 s THR 377 Ca 0.71 -2.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1ju3 s THR 377 Cb -0.46 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1ju3 s THR 377 CO 0.33 -0.52 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.97 1ju3 s LEU 378 N -3.34 1.84 0.01 4.79 1.43 -0.66 -1.32 118.68 121.43 1ju3 s LEU 378 Ca 0.24 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 1ju3 s LEU 378 Cb 0.01 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.33 1ju3 s LEU 378 CO 0.08 0.11 0.38 -0.55 0.23 0.00 0.00 176.35 176.60 1ju3 s SER 379 N 0.25 -0.26 0.01 2.29 0.15 -0.86 -4.20 113.70 111.08 1ju3 s SER 379 Ca -0.08 0.08 0.23 0.00 0.70 0.00 0.00 55.95 56.88 1ju3 s SER 379 Cb -0.13 0.38 0.97 0.00 -1.71 0.00 0.00 66.02 65.53 1ju3 s SER 379 CO 0.03 -0.56 1.73 0.35 1.20 0.00 0.00 173.24 175.99 1ju3 n THR 380 N 0.86 0.44 -3.86 6.45 -2.24 -1.26 0.21 114.28 114.88 1ju3 n THR 380 Ca -0.20 0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 1ju3 n THR 380 Cb 0.58 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 1ju3 n THR 380 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ju3 s SER 381 N -3.08 6.41 0.32 3.42 0.01 -1.26 -4.83 113.70 114.68 1ju3 s SER 381 Ca 0.11 0.43 -0.29 0.00 1.31 0.00 0.00 55.95 57.51 1ju3 s SER 381 Cb 0.15 -2.04 -0.10 0.00 0.21 0.00 0.00 66.02 64.23 1ju3 s SER 381 CO 0.42 0.30 1.34 -0.63 0.41 0.00 0.00 173.24 175.09 1ju3 s ILE 382 N -1.24 2.67 0.24 1.44 1.01 -1.26 -4.60 121.20 119.46 1ju3 s ILE 382 Ca 0.24 0.65 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 1ju3 s ILE 382 Cb -0.13 -3.41 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 1ju3 s ILE 382 CO 0.14 0.14 1.36 -0.44 0.00 0.00 0.00 174.94 176.14 1ju3 s SER 383 N -0.28 6.78 0.29 3.58 0.01 -1.26 -4.96 113.70 117.86 1ju3 s SER 383 Ca 0.51 2.56 0.16 0.00 1.31 0.00 0.00 55.95 60.48 1ju3 s SER 383 Cb -0.41 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.28 1ju3 s SER 383 CO 0.52 -0.59 1.44 1.23 0.41 0.00 0.00 173.24 176.24 1ju3 h GLY 384 N 4.88 0.00 -5.22 3.44 0.00 -1.93 -3.00 103.07 101.24 1ju3 h GLY 384 Ca -0.46 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.19 1ju3 h GLY 384 CO 0.75 0.00 -0.74 -0.51 0.00 0.00 0.00 176.54 176.04 1ju3 s THR 385 N -2.98 3.31 -0.41 4.70 -4.23 -1.26 -4.70 115.64 110.07 1ju3 s THR 385 Ca 0.04 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.65 1ju3 s THR 385 Cb 0.07 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1ju3 s THR 385 CO 0.74 0.57 1.31 -1.61 -0.54 0.00 0.00 174.62 175.08 1ju3 s GLU 386 N -0.38 3.69 0.34 3.99 0.41 -1.26 -4.25 118.70 121.23 1ju3 s GLU 386 Ca 0.05 0.89 0.03 0.00 -0.41 0.00 0.00 54.97 55.53 1ju3 s GLU 386 Cb -0.12 -3.96 -0.05 0.00 -1.78 0.00 0.00 34.13 28.22 1ju3 s GLU 386 CO 0.02 -1.41 0.10 -1.12 -0.49 0.00 0.00 175.26 172.36 1ju3 s SER 387 N 3.25 2.22 -0.16 -0.19 0.01 0.42 -5.01 113.70 114.24 1ju3 s SER 387 Ca 0.56 -1.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.19 1ju3 s SER 387 Cb -0.12 0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.36 1ju3 s SER 387 CO 0.30 -0.77 0.42 0.00 0.41 0.00 0.00 173.24 173.60 1ju3 s ALA 388 N -3.38 -1.04 -0.17 1.44 0.00 -1.26 -1.48 121.76 115.87 1ju3 s ALA 388 Ca 0.32 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1ju3 s ALA 388 Cb 0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1ju3 s ALA 388 CO 0.15 -0.22 -0.05 -0.51 0.00 0.00 0.00 175.76 175.14 1ju3 s ASP 389 N 0.55 4.60 0.07 0.00 1.01 -0.27 -4.95 116.67 117.68 1ju3 s ASP 389 Ca -0.03 -0.22 0.09 0.00 0.71 0.00 0.00 52.55 53.11 1ju3 s ASP 389 Cb -0.04 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.10 1ju3 s ASP 389 CO -0.03 0.12 -0.25 -0.89 0.21 0.00 0.00 175.17 174.32 1ju3 s THR 390 N 0.66 2.06 0.19 -1.27 2.01 -1.26 -1.03 115.64 117.01 1ju3 s THR 390 Ca -0.03 -1.46 -0.15 0.00 0.31 0.00 0.00 61.69 60.36 1ju3 s THR 390 Cb -0.15 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.59 1ju3 s THR 390 CO 0.02 0.24 0.46 -0.72 -0.69 0.00 0.00 174.62 173.93 1ju3 s TYR 391 N -0.89 0.05 -0.22 4.92 -0.85 -0.65 -4.96 117.35 114.75 1ju3 s TYR 391 Ca 0.11 -0.40 -0.06 0.00 -0.52 0.00 0.00 57.07 56.20 1ju3 s TYR 391 Cb -0.10 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 1ju3 s TYR 391 CO 0.03 -0.87 0.03 -1.17 -1.52 0.00 0.00 175.55 172.06 1ju3 s LEU 392 N -2.91 3.39 -0.27 -3.49 2.96 -1.26 -1.17 118.68 115.93 1ju3 s LEU 392 Ca 0.12 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1ju3 s LEU 392 Cb 0.00 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1ju3 s LEU 392 CO -0.01 0.04 0.11 -0.47 -1.32 0.00 0.00 176.35 174.69 1ju3 s TYR 393 N 1.17 3.13 -0.22 5.38 5.04 0.51 -4.74 117.35 127.62 1ju3 s TYR 393 Ca 0.04 -0.42 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1ju3 s TYR 393 Cb -0.14 -2.29 0.01 0.00 0.35 0.00 0.00 41.96 39.89 1ju3 s TYR 393 CO 0.02 -0.37 -0.09 0.34 -1.34 0.00 0.00 175.55 174.11 1ju3 s ASP 394 N 1.63 4.01 0.60 4.32 -1.08 -1.26 -0.90 116.67 123.99 1ju3 s ASP 394 Ca 0.06 -0.63 0.31 0.00 -0.52 0.00 0.00 52.55 51.77 1ju3 s ASP 394 Cb -0.16 -1.65 1.79 0.00 -1.46 0.00 0.00 42.92 41.44 1ju3 s ASP 394 CO 0.05 -0.05 2.16 -0.65 0.52 0.00 0.00 175.17 177.20 1ju3 h PRO 395 N 8.03 0.00 0.00 4.34 0.11 -1.84 -0.41 132.00 142.23 1ju3 h PRO 395 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1ju3 h PRO 395 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ju3 h PRO 395 CO 0.60 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.36 1ju3 h ALA 396 N 1.82 1.00 -2.33 -0.75 0.00 -1.94 -3.34 119.26 113.72 1ju3 h ALA 396 Ca 0.05 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.35 1ju3 h ALA 396 Cb 0.32 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.72 1ju3 h ALA 396 CO -0.00 0.04 -0.92 -3.47 0.00 0.00 0.00 179.25 174.89 1ju3 n ASP 397 N -3.13 0.67 -4.90 0.00 2.03 -0.17 -5.13 116.55 105.93 1ju3 n ASP 397 Ca 0.01 -2.71 -0.29 0.00 0.52 0.00 0.00 54.79 52.33 1ju3 n ASP 397 Cb 0.37 -0.62 0.05 0.00 -0.72 0.00 0.00 41.12 40.20 1ju3 n ASP 397 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ju3 s PRO 398 N -0.83 2.68 -0.10 -0.67 0.04 -1.23 -4.51 135.00 130.37 1ju3 s PRO 398 Ca 0.33 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 1ju3 s PRO 398 Cb 0.08 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1ju3 s PRO 398 CO -0.15 -1.08 1.22 0.08 0.04 0.00 0.00 177.00 177.12 1ju3 s VAL 399 N -3.32 4.28 0.41 -0.36 1.01 -1.26 -4.92 120.40 116.23 1ju3 s VAL 399 Ca 0.58 1.58 -0.26 0.00 0.00 0.00 0.00 61.98 63.88 1ju3 s VAL 399 Cb -0.11 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1ju3 s VAL 399 CO 0.50 -0.06 1.28 -2.84 0.00 0.00 0.00 175.10 173.97 1ju3 s PRO 400 N 2.76 3.97 0.04 2.72 0.02 -1.26 -1.46 135.00 141.79 1ju3 s PRO 400 Ca 0.55 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 1ju3 s PRO 400 Cb -0.23 -2.74 -0.05 0.00 0.02 0.00 0.00 34.50 31.50 1ju3 s PRO 400 CO 0.19 -0.47 1.19 -1.12 -0.33 0.00 0.00 177.00 176.45 1ju3 s SER 401 N -0.81 7.09 -0.27 2.53 0.01 0.21 -4.73 113.70 117.74 1ju3 s SER 401 Ca 0.57 1.96 -0.02 0.00 1.31 0.00 0.00 55.95 59.77 1ju3 s SER 401 Cb -0.37 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.38 1ju3 s SER 401 CO 0.47 -0.48 0.08 -0.76 0.41 0.00 0.00 173.24 172.97 1ju3 s LEU 402 N 1.28 1.64 0.00 2.44 1.43 -1.26 -4.90 118.68 119.31 1ju3 s LEU 402 Ca 0.58 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1ju3 s LEU 402 Cb -0.28 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1ju3 s LEU 402 CO 0.28 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1ju3 n GLY 403 N 4.97 0.81 7.00 -3.19 0.00 -1.26 -4.65 105.19 108.88 1ju3 n GLY 403 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ju3 n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ju3 n GLY 404 N 0.00 0.94 1.95 -0.02 0.00 0.49 -3.75 105.19 104.80 1ju3 n GLY 404 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 1ju3 n GLY 404 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ju3 n THR 405 N 0.00 3.01 -1.75 2.61 -2.24 -1.26 -4.41 114.28 110.25 1ju3 n THR 405 Ca 0.00 -2.03 -0.42 0.00 -2.27 0.00 0.00 64.05 59.33 1ju3 n THR 405 Cb 0.00 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 1ju3 n THR 405 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ju3 n LEU 406 N -0.95 4.39 -0.11 3.22 4.77 -1.25 -3.54 117.00 123.54 1ju3 n LEU 406 Ca 0.50 1.19 -0.18 0.00 -0.03 0.00 0.00 56.01 57.49 1ju3 n LEU 406 Cb 1.48 -1.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1ju3 n LEU 406 CO 0.49 0.06 -0.93 0.18 -1.33 0.00 0.00 177.39 175.86 1ju3 n LEU 407 N 1.28 1.92 -0.06 2.23 4.77 -1.26 -4.45 117.00 121.43 1ju3 n LEU 407 Ca 0.05 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1ju3 n LEU 407 Cb 0.37 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1ju3 n LEU 407 CO 0.64 0.11 -0.89 0.49 -1.33 0.00 0.00 177.39 176.41 1ju3 n PHE 408 N -4.39 0.00 -2.73 -1.77 3.72 -1.26 -4.41 117.46 106.61 1ju3 n PHE 408 Ca -0.32 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.65 1ju3 n PHE 408 Cb 0.66 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1ju3 n PHE 408 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1ju3 s HIS 409 N -2.25 2.86 -1.49 1.38 2.46 -1.26 -4.17 115.29 112.82 1ju3 s HIS 409 Ca -0.15 0.49 -0.04 0.00 0.47 0.00 0.00 55.06 55.83 1ju3 s HIS 409 Cb 0.04 -4.18 0.01 0.00 -0.13 0.00 0.00 32.58 28.32 1ju3 s HIS 409 CO 0.31 -1.20 0.15 0.09 -2.47 0.00 0.00 174.74 171.62 1ju3 n ASN 410 N 7.49 0.11 -0.83 9.88 3.02 -1.26 -4.84 115.26 128.82 1ju3 n ASN 410 Ca 0.08 -1.24 0.03 0.00 -0.03 0.00 0.00 54.58 53.43 1ju3 n ASN 410 Cb 0.49 -1.82 0.14 0.00 -0.61 0.00 0.00 39.78 37.98 1ju3 n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ju3 n GLY 411 N -2.44 1.36 0.89 7.41 0.00 -1.26 -4.10 105.19 107.05 1ju3 n GLY 411 Ca -0.30 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.47 1ju3 n GLY 411 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ju3 n ASP 412 N 0.28 3.81 -2.85 1.61 5.75 -1.26 -4.25 116.55 119.64 1ju3 n ASP 412 Ca 0.10 -3.05 -0.12 0.00 -0.01 0.00 0.00 54.79 51.72 1ju3 n ASP 412 Cb 0.46 -0.55 0.03 0.00 -1.03 0.00 0.00 41.12 40.03 1ju3 n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ju3 n ASN 413 N -0.55 0.36 -0.10 -1.12 5.15 -1.26 -4.76 115.26 112.97 1ju3 n ASN 413 Ca 0.22 -2.88 -0.09 0.00 -0.60 0.00 0.00 54.58 51.22 1ju3 n ASN 413 Cb 0.90 -0.07 -0.04 0.00 -0.53 0.00 0.00 39.78 40.04 1ju3 n ASN 413 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ju3 h GLY 414 N 2.86 -0.47 -5.22 8.20 0.00 -1.83 -2.76 103.07 103.85 1ju3 h GLY 414 Ca -0.06 0.49 -0.69 0.00 0.00 0.00 0.00 47.33 47.08 1ju3 h GLY 414 CO 0.38 -0.20 3.49 -1.55 0.00 0.00 0.00 176.54 178.67 1ju3 n PRO 415 N -5.42 3.84 -2.62 4.80 -0.04 -1.26 -0.38 135.00 133.92 1ju3 n PRO 415 Ca -0.01 -2.51 -0.37 0.00 -0.04 0.00 0.00 63.50 60.57 1ju3 n PRO 415 Cb 0.35 -2.80 -0.05 0.00 -0.04 0.00 0.00 33.50 30.96 1ju3 n PRO 415 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ju3 s ALA 416 N 1.52 3.18 0.01 0.55 0.00 -1.04 -4.55 121.76 121.43 1ju3 s ALA 416 Ca 0.65 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1ju3 s ALA 416 Cb 0.18 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1ju3 s ALA 416 CO -0.07 -0.06 1.38 0.34 0.00 0.00 0.00 175.76 177.35 1ju3 s ASP 417 N -1.49 6.87 0.00 0.00 2.15 -1.26 -1.91 116.67 121.04 1ju3 s ASP 417 Ca 0.53 2.11 0.28 0.00 0.43 0.00 0.00 52.55 55.90 1ju3 s ASP 417 Cb -0.22 -2.56 1.16 0.00 -0.30 0.00 0.00 42.92 40.99 1ju3 s ASP 417 CO 0.28 -0.69 1.81 0.00 -0.17 0.00 0.00 175.17 176.40 1ju3 n GLN 418 N 5.16 1.15 -0.19 4.34 1.13 0.13 -4.41 117.38 124.69 1ju3 n GLN 418 Ca 0.13 -0.54 0.19 0.00 -1.94 0.00 0.00 57.00 54.83 1ju3 n GLN 418 Cb 0.44 -1.49 0.54 0.00 0.11 0.00 0.00 30.24 29.84 1ju3 n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ju3 h ARG 419 N 1.33 0.34 0.00 -1.09 3.08 -1.91 -2.29 114.38 113.83 1ju3 h ARG 419 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ju3 h ARG 419 Cb 0.39 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1ju3 h ARG 419 CO 0.00 0.22 -0.02 -1.35 -1.07 0.00 0.00 179.97 177.75 1ju3 h PRO 420 N 0.35 0.00 -0.15 0.04 0.11 -1.99 -2.83 132.00 127.52 1ju3 h PRO 420 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1ju3 h PRO 420 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ju3 h PRO 420 CO -0.13 0.02 0.00 0.44 -0.21 0.00 0.00 178.00 178.12 1ju3 n ILE 421 N -3.20 0.33 0.26 4.15 -5.35 -0.87 -4.64 119.36 110.04 1ju3 n ILE 421 Ca -0.02 -0.67 0.12 0.00 -0.27 0.00 0.00 62.75 61.92 1ju3 n ILE 421 Cb 0.17 1.02 0.68 0.00 -1.74 0.00 0.00 39.64 39.77 1ju3 n ILE 421 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1ju3 h HIS 422 N 2.58 0.00 0.00 4.28 3.86 -1.45 -2.96 115.15 121.46 1ju3 h HIS 422 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ju3 h HIS 422 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1ju3 h HIS 422 CO 0.09 0.14 0.00 -0.40 0.86 0.00 0.00 177.93 178.62 1ju3 n ASP 423 N -3.57 0.16 -4.73 2.45 5.75 -1.26 -2.39 116.55 112.96 1ju3 n ASP 423 Ca -0.01 0.52 -0.42 0.00 -0.01 0.00 0.00 54.79 54.87 1ju3 n ASP 423 Cb 0.28 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.78 1ju3 n ASP 423 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1ju3 s ARG 424 N -3.02 4.42 0.49 0.11 0.52 -1.12 -4.90 118.95 115.46 1ju3 s ARG 424 Ca 0.13 1.93 0.28 0.00 -0.52 0.00 0.00 55.73 57.55 1ju3 s ARG 424 Cb 0.18 -3.25 1.22 0.00 0.52 0.00 0.00 34.95 33.61 1ju3 s ARG 424 CO 0.54 -0.23 1.95 0.22 0.02 0.00 0.00 175.30 177.80 1ju3 h ASP 425 N 5.92 0.00 -0.18 0.23 1.82 -1.91 -2.64 116.42 119.65 1ju3 h ASP 425 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1ju3 h ASP 425 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1ju3 h ASP 425 CO 0.79 0.15 0.00 -0.90 -1.61 0.00 0.00 179.24 177.66 1ju3 n ASP 426 N -3.39 1.46 -4.17 2.28 5.75 -1.26 -4.56 116.55 112.66 1ju3 n ASP 426 Ca -0.00 -1.75 -0.37 0.00 -0.01 0.00 0.00 54.79 52.66 1ju3 n ASP 426 Cb 0.34 -0.12 -0.12 0.00 -1.03 0.00 0.00 41.12 40.19 1ju3 n ASP 426 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ju3 s VAL 427 N -1.77 3.38 -0.07 2.12 1.01 -1.00 -4.39 120.40 119.69 1ju3 s VAL 427 Ca 0.29 -1.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.30 1ju3 s VAL 427 Cb 0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1ju3 s VAL 427 CO 0.23 -0.48 0.74 -0.76 0.00 0.00 0.00 175.10 174.83 1ju3 s LEU 428 N 1.23 4.31 -0.10 3.92 1.43 0.09 -1.54 118.68 128.02 1ju3 s LEU 428 Ca 0.03 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 1ju3 s LEU 428 Cb -0.22 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1ju3 s LEU 428 CO -0.02 -0.16 -0.16 0.00 0.23 0.00 0.00 176.35 176.24 1ju3 s TYR 430 N -0.01 1.32 0.07 0.00 1.51 -0.32 -3.73 117.35 116.19 1ju3 s TYR 430 Ca -0.05 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 1ju3 s TYR 430 Cb -0.14 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1ju3 s TYR 430 CO 0.04 -0.43 -0.15 -1.12 -1.11 0.00 0.00 175.55 172.79 1ju3 s SER 431 N 1.54 1.72 0.83 2.29 0.01 -0.90 -0.56 113.70 118.61 1ju3 s SER 431 Ca 0.01 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.53 1ju3 s SER 431 Cb -0.13 -0.05 0.10 0.00 0.21 0.00 0.00 66.02 66.14 1ju3 s SER 431 CO -0.06 -0.07 1.20 0.42 0.41 0.00 0.00 173.24 175.14 1ju3 s THR 432 N -1.27 2.01 0.86 1.44 -4.23 -0.46 -1.66 115.64 112.33 1ju3 s THR 432 Ca -0.02 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.36 1ju3 s THR 432 Cb -0.10 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.85 1ju3 s THR 432 CO 0.02 0.00 1.14 -1.61 -0.54 0.00 0.00 174.62 173.63 1ju3 s GLU 433 N -5.61 1.60 0.10 3.99 0.41 -1.26 -4.67 118.70 113.26 1ju3 s GLU 433 Ca 0.64 0.33 -0.31 0.00 -0.41 0.00 0.00 54.97 55.22 1ju3 s GLU 433 Cb -0.10 -1.89 -0.10 0.00 -1.78 0.00 0.00 34.13 30.27 1ju3 s GLU 433 CO 0.49 -1.89 1.83 0.08 -0.49 0.00 0.00 175.26 175.28 1ju3 s VAL 434 N -3.32 2.70 0.27 2.63 1.01 -1.26 -4.73 120.40 117.71 1ju3 s VAL 434 Ca 0.62 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1ju3 s VAL 434 Cb -0.14 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 1ju3 s VAL 434 CO 0.52 -0.00 1.24 -0.76 0.00 0.00 0.00 175.10 176.11 1ju3 s LEU 435 N 3.06 4.46 -0.02 3.92 1.43 -0.40 -4.88 118.68 126.24 1ju3 s LEU 435 Ca 0.81 2.47 0.18 0.00 -1.03 0.00 0.00 54.13 56.56 1ju3 s LEU 435 Cb -0.44 -3.63 -0.27 0.00 0.03 0.00 0.00 46.19 41.88 1ju3 s LEU 435 CO 0.37 -0.41 0.44 0.35 0.23 0.00 0.00 176.35 177.32 1ju3 n THR 436 N 1.47 0.00 -4.24 5.49 -2.24 -1.26 -0.87 114.28 112.63 1ju3 n THR 436 Ca 0.01 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 1ju3 n THR 436 Cb 0.43 0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 1ju3 n THR 436 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ju3 s ASP 437 N -3.88 1.61 0.36 3.42 1.11 -1.26 -4.81 116.67 113.22 1ju3 s ASP 437 Ca -0.05 -0.54 -0.27 0.00 0.18 0.00 0.00 52.55 51.88 1ju3 s ASP 437 Cb 0.12 -0.07 -0.09 0.00 1.07 0.00 0.00 42.92 43.95 1ju3 s ASP 437 CO 0.74 -0.03 1.23 -2.16 1.18 0.00 0.00 175.17 176.13 1ju3 s PRO 438 N -1.44 4.22 -0.21 8.23 0.04 -1.26 -4.55 135.00 140.03 1ju3 s PRO 438 Ca -0.01 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1ju3 s PRO 438 Cb -0.09 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.60 1ju3 s PRO 438 CO 0.02 -0.24 -0.11 0.08 0.04 0.00 0.00 177.00 176.79 1ju3 s VAL 439 N -1.25 1.73 -0.16 -0.36 1.01 -0.54 -4.97 120.40 115.85 1ju3 s VAL 439 Ca 0.53 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1ju3 s VAL 439 Cb -0.35 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1ju3 s VAL 439 CO 0.46 0.17 0.37 -0.70 0.00 0.00 0.00 175.10 175.39 1ju3 s GLU 440 N 1.35 4.25 -0.33 2.72 2.12 -1.25 -0.59 118.70 126.98 1ju3 s GLU 440 Ca -0.02 0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.56 1ju3 s GLU 440 Cb -0.16 -3.46 0.09 0.00 0.26 0.00 0.00 34.13 30.85 1ju3 s GLU 440 CO -0.08 0.13 0.03 0.08 -0.54 0.00 0.00 175.26 174.87 1ju3 s VAL 441 N 0.78 2.19 -0.21 3.70 1.01 0.34 -1.41 120.40 126.81 1ju3 s VAL 441 Ca 0.19 -2.19 -0.02 0.00 0.00 0.00 0.00 61.98 59.96 1ju3 s VAL 441 Cb -0.14 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.73 1ju3 s VAL 441 CO 0.07 -0.51 0.04 -0.89 0.00 0.00 0.00 175.10 173.80 1ju3 s THR 442 N 0.97 0.60 -5.00 3.92 2.01 -0.53 -0.68 115.64 116.93 1ju3 s THR 442 Ca 0.08 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1ju3 s THR 442 Cb -0.19 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1ju3 s THR 442 CO -0.08 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1ju3 n GLY 443 N 5.02 -0.17 3.75 4.40 0.00 -0.61 -4.72 105.19 112.86 1ju3 n GLY 443 Ca -0.09 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 1ju3 n GLY 443 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ju3 s THR 444 N -2.76 3.66 -0.03 2.61 -4.23 -1.26 -2.26 115.64 111.37 1ju3 s THR 444 Ca 0.00 1.65 0.07 0.00 -1.18 0.00 0.00 61.69 62.24 1ju3 s THR 444 Cb 0.00 -4.05 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 1ju3 s THR 444 CO 0.00 0.39 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.54 1ju3 s VAL 445 N -1.08 2.23 0.15 2.29 1.01 -0.50 -4.33 120.40 120.16 1ju3 s VAL 445 Ca 0.44 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1ju3 s VAL 445 Cb -0.30 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1ju3 s VAL 445 CO 0.38 0.58 0.33 -0.94 0.00 0.00 0.00 175.10 175.45 1ju3 s SER 446 N -0.61 -0.04 0.06 3.32 1.04 -1.21 -1.28 113.70 114.98 1ju3 s SER 446 Ca 0.10 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1ju3 s SER 446 Cb -0.10 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1ju3 s SER 446 CO -0.01 -0.89 -0.13 0.00 0.98 0.00 0.00 173.24 173.19 1ju3 s ALA 447 N -3.91 1.09 -0.26 5.32 0.00 -0.12 -0.15 121.76 123.72 1ju3 s ALA 447 Ca 0.12 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1ju3 s ALA 447 Cb 0.03 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1ju3 s ALA 447 CO -0.04 0.16 -0.02 1.03 0.00 0.00 0.00 175.76 176.89 1ju3 s ARG 448 N -1.56 1.50 0.01 0.00 1.81 0.16 -0.69 118.95 120.18 1ju3 s ARG 448 Ca -0.02 -1.16 0.06 0.00 -1.72 0.00 0.00 55.73 52.89 1ju3 s ARG 448 Cb -0.09 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.76 1ju3 s ARG 448 CO 0.02 -0.70 -0.18 -0.51 -0.68 0.00 0.00 175.30 173.24 1ju3 s LEU 449 N 1.33 2.55 -0.39 2.53 1.43 -0.24 -0.83 118.68 125.07 1ju3 s LEU 449 Ca -0.01 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 1ju3 s LEU 449 Cb -0.19 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1ju3 s LEU 449 CO -0.09 0.29 0.35 -0.36 0.23 0.00 0.00 176.35 176.78 1ju3 s PHE 450 N -0.82 3.21 0.23 0.29 0.40 -1.26 -0.69 117.98 119.34 1ju3 s PHE 450 Ca 0.13 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 1ju3 s PHE 450 Cb -0.10 -2.70 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1ju3 s PHE 450 CO 0.03 -0.56 -0.12 0.14 0.70 0.00 0.00 175.22 175.41 1ju3 s VAL 451 N 1.92 1.77 0.01 -0.44 -7.23 0.34 -0.58 120.40 116.20 1ju3 s VAL 451 Ca 0.09 -2.20 -0.15 0.00 -1.81 0.00 0.00 61.98 57.91 1ju3 s VAL 451 Cb -0.18 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1ju3 s VAL 451 CO 0.12 -0.49 0.31 -0.94 -0.31 0.00 0.00 175.10 173.79 1ju3 s SER 452 N -3.37 -0.17 0.05 4.85 1.04 -0.62 -0.57 113.70 114.91 1ju3 s SER 452 Ca 0.25 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.65 1ju3 s SER 452 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1ju3 s SER 452 CO 0.09 -0.51 -0.01 -0.55 0.98 0.00 0.00 173.24 173.24 1ju3 s SER 453 N -1.60 0.45 0.06 7.02 0.15 -1.26 -0.94 113.70 117.58 1ju3 s SER 453 Ca -0.10 -0.96 0.25 0.00 0.70 0.00 0.00 55.95 55.83 1ju3 s SER 453 Cb -0.04 0.21 0.46 0.00 -1.71 0.00 0.00 66.02 64.95 1ju3 s SER 453 CO 0.02 -0.61 1.39 -1.54 1.20 0.00 0.00 173.24 173.69 1ju3 n SER 454 N 0.10 0.57 -4.94 5.45 3.41 -0.93 -0.73 113.62 116.55 1ju3 n SER 454 Ca -0.14 -0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.25 1ju3 n SER 454 Cb 0.61 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 1ju3 n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ju3 s ALA 455 N -3.09 4.10 -2.24 7.33 0.00 -1.26 -4.78 121.76 121.82 1ju3 s ALA 455 Ca 0.09 -1.56 0.30 0.00 0.00 0.00 0.00 51.96 50.79 1ju3 s ALA 455 Cb 0.16 -1.46 1.44 0.00 0.00 0.00 0.00 23.12 23.25 1ju3 s ALA 455 CO 0.70 -0.03 1.97 1.33 0.00 0.00 0.00 175.76 179.72 1ju3 n VAL 456 N -1.55 0.00 -3.61 0.00 0.24 -1.26 -4.41 118.33 107.75 1ju3 n VAL 456 Ca -0.00 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.08 1ju3 n VAL 456 Cb 0.59 0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 1ju3 n VAL 456 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ju3 s ASP 457 N -2.02 -0.35 0.20 -1.34 2.15 -1.26 -1.46 116.67 112.59 1ju3 s ASP 457 Ca 0.42 0.52 -0.21 0.00 0.43 0.00 0.00 52.55 53.70 1ju3 s ASP 457 Cb 0.21 0.47 0.08 0.00 -0.30 0.00 0.00 42.92 43.38 1ju3 s ASP 457 CO 0.36 -0.23 1.03 0.28 -0.17 0.00 0.00 175.17 176.44 1ju3 s THR 458 N -0.54 0.00 0.25 1.71 -1.32 -1.26 -4.11 115.64 110.37 1ju3 s THR 458 Ca 0.01 -0.60 0.11 0.00 -1.21 0.00 0.00 61.69 60.00 1ju3 s THR 458 Cb -0.02 -3.00 -0.05 0.00 -1.51 0.00 0.00 72.50 67.92 1ju3 s THR 458 CO -0.03 0.00 -0.13 -1.81 -2.21 0.00 0.00 174.62 170.44 1ju3 s ASP 459 N -3.45 3.96 -0.04 8.08 1.01 -1.26 -1.14 116.67 123.83 1ju3 s ASP 459 Ca 0.23 -0.82 -0.00 0.00 0.71 0.00 0.00 52.55 52.66 1ju3 s ASP 459 Cb -0.03 -0.53 0.03 0.00 1.01 0.00 0.00 42.92 43.40 1ju3 s ASP 459 CO 0.06 0.05 0.01 -0.36 0.21 0.00 0.00 175.17 175.14 1ju3 s PHE 460 N -2.22 0.32 0.17 4.23 0.08 -0.56 -4.37 117.98 115.64 1ju3 s PHE 460 Ca 0.28 0.01 0.09 0.00 0.12 0.00 0.00 56.93 57.44 1ju3 s PHE 460 Cb -0.06 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1ju3 s PHE 460 CO 0.16 -0.16 -0.12 0.95 -0.10 0.00 0.00 175.22 175.94 1ju3 s THR 461 N 1.31 3.07 -0.04 0.64 -4.23 0.70 -1.00 115.64 116.09 1ju3 s THR 461 Ca -0.06 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1ju3 s THR 461 Cb -0.13 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1ju3 s THR 461 CO -0.02 -0.08 0.08 0.00 -0.54 0.00 0.00 174.62 174.05 1ju3 s ALA 462 N -1.62 -0.09 -0.06 3.99 0.00 -0.90 -2.25 121.76 120.82 1ju3 s ALA 462 Ca 0.24 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1ju3 s ALA 462 Cb -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1ju3 s ALA 462 CO 0.14 -0.11 -0.06 0.21 0.00 0.00 0.00 175.76 175.94 1ju3 s LYS 463 N 0.88 1.11 -0.05 0.00 2.20 0.07 -1.49 119.74 122.46 1ju3 s LYS 463 Ca -0.07 -0.17 -0.22 0.00 -0.36 0.00 0.00 55.97 55.15 1ju3 s LYS 463 Cb -0.10 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.07 1ju3 s LYS 463 CO -0.03 -0.12 0.64 -1.17 -0.36 0.00 0.00 175.35 174.30 1ju3 s LEU 464 N 1.15 4.34 0.02 5.43 2.96 0.32 -0.88 118.68 132.01 1ju3 s LEU 464 Ca -0.07 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1ju3 s LEU 464 Cb -0.14 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1ju3 s LEU 464 CO -0.01 -0.03 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.20 1ju3 s VAL 465 N 0.48 0.72 -0.35 1.68 1.01 0.91 -0.81 120.40 124.04 1ju3 s VAL 465 Ca 0.34 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1ju3 s VAL 465 Cb -0.18 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1ju3 s VAL 465 CO 0.17 -0.00 0.16 -0.62 0.00 0.00 0.00 175.10 174.80 1ju3 s ASP 466 N -0.76 5.53 -0.30 3.32 -1.08 0.07 -0.98 116.67 122.47 1ju3 s ASP 466 Ca -0.00 -1.02 -0.21 0.00 -0.52 0.00 0.00 52.55 50.79 1ju3 s ASP 466 Cb -0.06 -1.95 -0.01 0.00 -1.46 0.00 0.00 42.92 39.44 1ju3 s ASP 466 CO 0.00 -0.35 0.65 -0.69 0.52 0.00 0.00 175.17 175.31 1ju3 s VAL 467 N 1.49 4.93 0.48 1.11 1.01 -0.72 -1.07 120.40 127.63 1ju3 s VAL 467 Ca 0.01 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1ju3 s VAL 467 Cb -0.19 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1ju3 s VAL 467 CO 0.05 -0.13 0.90 -0.36 0.00 0.00 0.00 175.10 175.57 1ju3 s PHE 468 N 2.64 3.48 0.48 5.22 0.40 0.12 -1.89 117.98 128.42 1ju3 s PHE 468 Ca 0.26 1.27 0.13 0.00 -0.60 0.00 0.00 56.93 57.99 1ju3 s PHE 468 Cb -0.15 -2.64 1.11 0.00 0.51 0.00 0.00 43.02 41.85 1ju3 s PHE 468 CO 0.11 -0.30 2.11 -1.35 0.70 0.00 0.00 175.22 176.49 1ju3 h PRO 469 N 0.89 0.22 0.00 0.24 0.11 -1.88 -2.08 132.00 129.49 1ju3 h PRO 469 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ju3 h PRO 469 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ju3 h PRO 469 CO 0.62 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1ju3 n ASP 470 N -4.51 0.00 0.00 -2.05 5.68 -1.26 -4.91 116.55 109.50 1ju3 n ASP 470 Ca -0.00 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1ju3 n ASP 470 Cb 0.09 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 1ju3 n ASP 470 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ju3 n GLY 471 N 0.89 1.13 3.67 6.12 0.00 -0.78 -5.08 105.19 111.14 1ju3 n GLY 471 Ca 0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 1ju3 n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ju3 n ARG 472 N -0.06 2.07 -3.68 1.61 1.74 -1.26 -4.69 116.66 112.39 1ju3 n ARG 472 Ca 0.00 0.75 -0.37 0.00 -0.77 0.00 0.00 57.85 57.46 1ju3 n ARG 472 Cb 0.00 -2.54 -0.09 0.00 -1.02 0.00 0.00 32.46 28.81 1ju3 n ARG 472 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ju3 s ALA 473 N 2.04 3.67 -0.19 7.54 0.00 -1.26 0.11 121.76 133.67 1ju3 s ALA 473 Ca 0.84 -3.32 -0.27 0.00 0.00 0.00 0.00 51.96 49.21 1ju3 s ALA 473 Cb -0.71 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1ju3 s ALA 473 CO 0.44 -2.13 0.92 0.42 0.00 0.00 0.00 175.76 175.41 1ju3 s ILE 474 N -0.15 4.80 0.33 0.00 -1.09 -0.23 0.18 121.20 125.03 1ju3 s ILE 474 Ca 0.18 1.81 -0.29 0.00 -2.23 0.00 0.00 60.65 60.13 1ju3 s ILE 474 Cb -0.19 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.38 1ju3 s ILE 474 CO -0.04 -0.06 1.26 0.00 -1.23 0.00 0.00 174.94 174.87 1ju3 s ALA 475 N 2.55 3.46 0.00 9.38 0.00 -0.80 -0.75 121.76 135.61 1ju3 s ALA 475 Ca 0.41 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 1ju3 s ALA 475 Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1ju3 s ALA 475 CO 0.11 -0.54 -0.04 1.28 0.00 0.00 0.00 175.76 176.56 1ju3 n LEU 476 N 0.83 0.52 -3.86 0.00 4.77 0.01 -4.42 117.00 114.84 1ju3 n LEU 476 Ca 0.00 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1ju3 n LEU 476 Cb 0.43 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 1ju3 n LEU 476 CO 0.58 -0.54 -0.13 0.00 -1.33 0.00 0.00 177.39 175.97 1ju3 s ASP 478 N -1.94 -0.00 0.33 0.00 1.47 -1.25 -0.52 116.67 114.76 1ju3 s ASP 478 Ca -0.07 -0.92 -0.14 0.00 1.18 0.00 0.00 52.55 52.61 1ju3 s ASP 478 Cb -0.02 0.48 0.02 0.00 -0.34 0.00 0.00 42.92 43.06 1ju3 s ASP 478 CO -0.03 -0.96 0.65 -0.83 0.68 0.00 0.00 175.17 174.68 1ju3 s GLY 479 N -3.00 0.52 0.03 2.12 0.00 -0.56 -4.26 107.32 102.18 1ju3 s GLY 479 Ca 0.20 -0.83 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 1ju3 s GLY 479 CO 0.03 -0.46 0.19 -1.50 0.00 0.00 0.00 173.10 171.36 1ju3 s ILE 480 N -3.16 0.10 -0.09 0.90 2.07 -1.26 -2.12 121.20 117.64 1ju3 s ILE 480 Ca 0.19 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 58.59 1ju3 s ILE 480 Cb -0.03 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.80 1ju3 s ILE 480 CO 0.12 -0.45 0.00 0.54 -1.91 0.00 0.00 174.94 173.24 1ju3 s VAL 481 N -2.21 0.43 -0.31 4.00 0.11 -0.17 -3.83 120.40 118.41 1ju3 s VAL 481 Ca -0.08 -0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 1ju3 s VAL 481 Cb -0.03 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1ju3 s VAL 481 CO -0.02 0.19 0.74 -0.60 -3.33 0.00 0.00 175.10 172.08 1ju3 s ARG 482 N 1.94 3.91 0.43 1.54 3.52 -0.34 -1.49 118.95 128.46 1ju3 s ARG 482 Ca 0.04 0.46 0.25 0.00 -0.13 0.00 0.00 55.73 56.35 1ju3 s ARG 482 Cb -0.13 -3.74 1.28 0.00 -1.56 0.00 0.00 34.95 30.81 1ju3 s ARG 482 CO -0.06 -0.67 1.72 0.52 -0.81 0.00 0.00 175.30 176.00 1ju3 h MET 483 N 8.18 0.22 0.00 5.12 2.86 -1.45 0.42 114.93 130.28 1ju3 h MET 483 Ca -0.25 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1ju3 h MET 483 Cb 1.10 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1ju3 h MET 483 CO 0.86 0.15 -0.05 0.07 1.06 0.00 0.00 176.91 179.00 1ju3 h ARG 484 N 0.23 0.00 -0.39 1.72 0.11 -1.82 -2.42 114.38 111.80 1ju3 h ARG 484 Ca 0.68 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.75 1ju3 h ARG 484 Cb 2.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.10 1ju3 h ARG 484 CO -0.30 0.05 0.01 0.66 0.10 0.00 0.00 179.97 180.48 1ju3 n TYR 485 N -3.20 1.41 -0.16 4.08 4.01 0.13 -2.20 117.16 121.22 1ju3 n TYR 485 Ca -0.00 -0.85 0.06 0.00 -0.16 0.00 0.00 57.90 56.94 1ju3 n TYR 485 Cb 0.27 -0.40 0.36 0.00 -0.31 0.00 0.00 39.34 39.25 1ju3 n TYR 485 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1ju3 h ARG 486 N 2.60 0.72 0.00 -0.72 0.11 -1.38 -3.18 114.38 112.53 1ju3 h ARG 486 Ca 0.01 -0.04 -0.34 0.00 0.10 0.00 0.00 59.98 59.71 1ju3 h ARG 486 Cb 1.67 -0.16 -0.06 0.00 1.11 0.00 0.00 29.97 32.53 1ju3 h ARG 486 CO 0.34 0.48 -2.27 0.39 0.10 0.00 0.00 179.97 179.01 1ju3 n GLU 487 N -4.47 0.94 -3.68 0.08 1.02 -1.26 -4.74 120.64 108.53 1ju3 n GLU 487 Ca 0.09 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.11 1ju3 n GLU 487 Cb 0.19 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1ju3 n GLU 487 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1ju3 s THR 488 N -2.45 0.01 -0.70 2.62 -1.32 -1.20 -5.03 115.64 107.57 1ju3 s THR 488 Ca -0.13 -0.07 0.25 0.00 -1.21 0.00 0.00 61.69 60.53 1ju3 s THR 488 Cb 0.06 -0.76 0.12 0.00 -1.51 0.00 0.00 72.50 70.41 1ju3 s THR 488 CO 0.71 -0.04 1.49 0.18 -2.21 0.00 0.00 174.62 174.74 1ju3 n LEU 489 N 2.28 0.70 -0.09 9.08 4.77 -1.26 -4.26 117.00 128.22 1ju3 n LEU 489 Ca -0.16 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 1ju3 n LEU 489 Cb 0.56 -0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 1ju3 n LEU 489 CO 0.13 -0.08 -0.68 0.52 -1.33 0.00 0.00 177.39 175.95 1ju3 n VAL 490 N -2.10 1.58 -3.91 4.08 0.31 -1.26 -1.05 118.33 115.98 1ju3 n VAL 490 Ca 0.04 -0.19 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 1ju3 n VAL 490 Cb 0.43 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.28 1ju3 n VAL 490 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ju3 s ASN 491 N -6.95 4.72 0.51 4.52 0.01 -1.26 -4.63 114.94 111.86 1ju3 s ASN 491 Ca -0.29 -3.60 -0.22 0.00 -0.71 0.00 0.00 52.86 48.05 1ju3 s ASN 491 Cb 0.07 -1.65 -0.06 0.00 0.41 0.00 0.00 41.25 40.02 1ju3 s ASN 491 CO 0.62 -0.13 1.21 -2.16 -1.51 0.00 0.00 177.10 175.13 1ju3 s PRO 492 N -1.11 3.46 0.02 -0.60 0.04 -1.26 -4.79 135.00 130.77 1ju3 s PRO 492 Ca 0.23 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1ju3 s PRO 492 Cb -0.11 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1ju3 s PRO 492 CO -0.12 -0.82 -0.05 0.95 0.04 0.00 0.00 177.00 177.00 1ju3 s THR 493 N -1.52 0.37 0.66 1.26 -4.23 -0.93 -5.04 115.64 106.20 1ju3 s THR 493 Ca 0.68 -0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 60.34 1ju3 s THR 493 Cb -0.31 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.13 1ju3 s THR 493 CO 0.37 -0.27 1.01 -0.76 -0.54 0.00 0.00 174.62 174.43 1ju3 s LEU 494 N -1.10 3.01 0.27 4.79 1.43 -1.26 -4.25 118.68 121.58 1ju3 s LEU 494 Ca -0.08 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 53.99 1ju3 s LEU 494 Cb -0.07 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1ju3 s LEU 494 CO -0.00 -1.27 0.26 0.27 0.23 0.00 0.00 176.35 175.84 1ju3 s ILE 495 N -3.21 4.38 -0.11 -0.59 -4.36 -0.53 -5.03 121.20 111.74 1ju3 s ILE 495 Ca 0.57 -1.31 -0.11 0.00 -0.26 0.00 0.00 60.65 59.54 1ju3 s ILE 495 Cb -0.11 -3.44 -0.05 0.00 1.25 0.00 0.00 42.46 40.12 1ju3 s ILE 495 CO 0.48 -0.30 0.24 -1.61 0.24 0.00 0.00 174.94 174.00 1ju3 s GLU 496 N -3.91 3.88 0.15 0.37 2.02 -1.26 -4.46 118.70 115.48 1ju3 s GLU 496 Ca 0.35 0.05 -0.31 0.00 0.02 0.00 0.00 54.97 55.08 1ju3 s GLU 496 Cb -0.08 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.76 1ju3 s GLU 496 CO 0.26 0.55 1.67 0.00 0.02 0.00 0.00 175.26 177.76 1ju3 s ALA 497 N -0.44 3.81 0.00 5.21 0.00 -1.26 -2.75 121.76 126.32 1ju3 s ALA 497 Ca 0.17 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ju3 s ALA 497 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1ju3 s ALA 497 CO 0.05 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1ju3 n GLY 498 N 3.95 2.67 3.75 0.00 0.00 0.09 -5.00 105.19 110.65 1ju3 n GLY 498 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ju3 n GLY 498 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ju3 s GLU 499 N -0.36 4.76 -0.15 1.61 2.12 -1.11 -4.86 118.70 120.71 1ju3 s GLU 499 Ca 0.00 1.61 -0.21 0.00 0.36 0.00 0.00 54.97 56.72 1ju3 s GLU 499 Cb 0.00 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1ju3 s GLU 499 CO 0.00 0.39 0.62 0.42 -0.54 0.00 0.00 175.26 176.15 1ju3 s ILE 500 N -1.19 5.06 0.02 -3.70 1.01 -1.26 -4.35 121.20 116.79 1ju3 s ILE 500 Ca 0.43 1.22 0.08 0.00 0.00 0.00 0.00 60.65 62.38 1ju3 s ILE 500 Cb -0.28 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1ju3 s ILE 500 CO 0.35 0.19 -0.24 -0.31 0.00 0.00 0.00 174.94 174.92 1ju3 s TYR 501 N 1.38 2.16 -0.37 3.97 2.02 0.26 -4.93 117.35 121.84 1ju3 s TYR 501 Ca 0.31 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.46 1ju3 s TYR 501 Cb -0.16 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1ju3 s TYR 501 CO 0.12 0.06 0.31 -2.00 -1.57 0.00 0.00 175.55 172.48 1ju3 s GLU 502 N -0.98 3.33 0.13 -0.62 2.12 -1.26 -0.51 118.70 120.91 1ju3 s GLU 502 Ca 0.10 -0.69 0.10 0.00 0.36 0.00 0.00 54.97 54.84 1ju3 s GLU 502 Cb -0.09 -3.87 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 1ju3 s GLU 502 CO 0.01 -0.60 -0.21 0.14 -0.54 0.00 0.00 175.26 174.06 1ju3 s VAL 503 N 1.85 2.63 -0.13 3.70 -7.23 0.13 -4.96 120.40 116.39 1ju3 s VAL 503 Ca 0.08 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.54 1ju3 s VAL 503 Cb -0.18 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1ju3 s VAL 503 CO 0.11 0.06 0.09 0.00 -0.31 0.00 0.00 175.10 175.05 1ju3 s ALA 504 N -1.21 3.62 -0.19 1.32 0.00 -1.26 -1.08 121.76 122.96 1ju3 s ALA 504 Ca 0.17 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1ju3 s ALA 504 Cb -0.10 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1ju3 s ALA 504 CO 0.09 0.49 -0.18 0.42 0.00 0.00 0.00 175.76 176.58 1ju3 s ILE 505 N -0.60 2.02 -0.40 0.00 1.01 0.13 -4.78 121.20 118.57 1ju3 s ILE 505 Ca 0.12 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 1ju3 s ILE 505 Cb -0.12 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1ju3 s ILE 505 CO 0.02 0.42 0.93 -0.62 0.00 0.00 0.00 174.94 175.69 1ju3 s ASP 506 N 1.28 6.62 -0.38 3.58 -1.08 -1.26 -0.95 116.67 124.48 1ju3 s ASP 506 Ca 0.02 0.43 0.07 0.00 -0.52 0.00 0.00 52.55 52.55 1ju3 s ASP 506 Cb -0.14 -2.46 0.65 0.00 -1.46 0.00 0.00 42.92 39.50 1ju3 s ASP 506 CO -0.11 -0.93 1.78 0.23 0.52 0.00 0.00 175.17 176.65 1ju3 n MET 507 N 6.94 2.51 0.00 4.34 2.81 -0.40 -4.10 117.12 129.22 1ju3 n MET 507 Ca 0.07 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 1ju3 n MET 507 Cb 0.48 -2.10 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1ju3 n MET 507 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ju3 n LEU 508 N -0.91 0.00 -3.64 4.03 4.77 -1.23 -3.77 117.00 116.25 1ju3 n LEU 508 Ca 0.49 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.37 1ju3 n LEU 508 Cb 1.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.51 1ju3 n LEU 508 CO 0.46 0.00 0.34 0.00 -1.33 0.00 0.00 177.39 176.87 1ju3 s ALA 509 N -1.00 -1.22 0.27 -1.18 0.00 -1.26 -1.42 121.76 115.96 1ju3 s ALA 509 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 1ju3 s ALA 509 Cb 0.00 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1ju3 s ALA 509 CO 0.00 -0.82 0.68 -0.08 0.00 0.00 0.00 175.76 175.54 1ju3 s THR 510 N -3.83 0.00 -0.25 0.00 -1.32 -0.96 -4.79 115.64 104.48 1ju3 s THR 510 Ca 0.06 -1.04 -0.03 0.00 -1.21 0.00 0.00 61.69 59.47 1ju3 s THR 510 Cb -0.02 -2.01 0.10 0.00 -1.51 0.00 0.00 72.50 69.07 1ju3 s THR 510 CO -0.05 -0.00 0.20 -0.55 -2.21 0.00 0.00 174.62 172.01 1ju3 s SER 511 N -2.93 2.22 -0.11 8.08 0.15 -1.24 -1.57 113.70 118.30 1ju3 s SER 511 Ca 0.13 -0.75 -0.08 0.00 0.70 0.00 0.00 55.95 55.95 1ju3 s SER 511 Cb -0.05 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1ju3 s SER 511 CO 0.07 -0.38 0.27 0.21 1.20 0.00 0.00 173.24 174.61 1ju3 s ASN 512 N 2.25 -0.29 -0.32 5.45 2.47 0.15 -1.27 114.94 123.37 1ju3 s ASN 512 Ca 0.08 0.56 -0.11 0.00 0.42 0.00 0.00 52.86 53.80 1ju3 s ASN 512 Cb -0.15 0.51 -0.02 0.00 -1.45 0.00 0.00 41.25 40.14 1ju3 s ASN 512 CO -0.25 -0.13 0.20 -0.69 -3.72 0.00 0.00 177.10 172.51 1ju3 s VAL 513 N 0.62 5.02 -0.60 -5.21 1.01 0.36 -0.50 120.40 121.09 1ju3 s VAL 513 Ca -0.04 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1ju3 s VAL 513 Cb -0.05 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1ju3 s VAL 513 CO -0.04 0.05 1.03 -0.36 0.00 0.00 0.00 175.10 175.78 1ju3 s PHE 514 N 1.68 2.67 0.77 5.22 0.40 0.25 -4.33 117.98 124.64 1ju3 s PHE 514 Ca 0.06 -0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 1ju3 s PHE 514 Cb -0.17 -4.26 0.05 0.00 0.51 0.00 0.00 43.02 39.15 1ju3 s PHE 514 CO 0.09 -1.55 1.08 -0.51 0.70 0.00 0.00 175.22 175.03 1ju3 s LEU 515 N 4.36 2.86 0.34 -0.37 1.43 -1.26 -1.47 118.68 124.56 1ju3 s LEU 515 Ca 0.31 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.70 1ju3 s LEU 515 Cb -0.12 -4.29 -0.12 0.00 0.03 0.00 0.00 46.19 41.70 1ju3 s LEU 515 CO 0.18 -1.90 1.50 -2.65 0.23 0.00 0.00 176.35 173.71 1ju3 n PRO 516 N -3.42 2.59 0.00 1.29 -0.02 -1.26 -1.69 135.00 132.49 1ju3 n PRO 516 Ca 0.08 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1ju3 n PRO 516 Cb 0.54 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1ju3 n PRO 516 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ju3 n GLY 517 N 1.15 1.99 3.99 -1.23 0.00 -0.05 -4.99 105.19 106.06 1ju3 n GLY 517 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1ju3 n GLY 517 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ju3 s HIS 518 N -2.54 2.79 0.07 1.61 3.76 -0.68 -4.10 115.29 116.20 1ju3 s HIS 518 Ca 0.00 -0.21 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 1ju3 s HIS 518 Cb 0.00 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 1ju3 s HIS 518 CO 0.00 -0.68 -0.14 1.03 -0.85 0.00 0.00 174.74 174.10 1ju3 s ARG 519 N -4.58 0.83 -0.23 1.40 0.52 -0.79 -1.28 118.95 114.82 1ju3 s ARG 519 Ca 0.56 -0.95 -0.14 0.00 -0.52 0.00 0.00 55.73 54.68 1ju3 s ARG 519 Cb -0.10 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1ju3 s ARG 519 CO 0.36 0.19 0.34 0.42 0.02 0.00 0.00 175.30 176.62 1ju3 s ILE 520 N -1.25 5.23 0.04 1.52 1.01 -1.26 -1.76 121.20 124.72 1ju3 s ILE 520 Ca -0.02 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1ju3 s ILE 520 Cb -0.10 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1ju3 s ILE 520 CO 0.02 0.25 -0.17 -0.32 0.00 0.00 0.00 174.94 174.72 1ju3 s MET 521 N 1.44 1.14 -0.07 2.79 1.75 -0.16 -1.35 119.30 124.85 1ju3 s MET 521 Ca 0.15 -0.84 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1ju3 s MET 521 Cb -0.15 -1.20 0.01 0.00 2.84 0.00 0.00 34.83 36.33 1ju3 s MET 521 CO 0.08 0.30 -0.16 0.08 -0.65 0.00 0.00 175.02 174.67 1ju3 s VAL 522 N -0.82 1.39 -0.17 10.11 1.01 0.27 -0.06 120.40 132.12 1ju3 s VAL 522 Ca 0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1ju3 s VAL 522 Cb -0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1ju3 s VAL 522 CO 0.01 0.41 0.01 -1.10 0.00 0.00 0.00 175.10 174.43 1ju3 s GLN 523 N 0.42 3.79 -0.08 2.72 -0.21 -0.06 -1.18 119.66 125.07 1ju3 s GLN 523 Ca -0.12 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 54.86 1ju3 s GLN 523 Cb -0.15 -3.06 -0.00 0.00 1.00 0.00 0.00 33.01 30.80 1ju3 s GLN 523 CO 0.04 0.23 -0.23 0.08 -2.12 0.00 0.00 175.29 173.30 1ju3 s VAL 524 N 0.43 1.94 0.00 1.09 1.01 0.34 -0.75 120.40 124.46 1ju3 s VAL 524 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1ju3 s VAL 524 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1ju3 s VAL 524 CO 0.02 0.54 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1ju3 n SER 525 N 3.32 0.00 -0.11 3.32 2.88 -0.96 -0.73 113.62 121.35 1ju3 n SER 525 Ca -0.19 -0.35 0.03 0.00 -1.33 0.00 0.00 58.87 57.03 1ju3 n SER 525 Cb 0.53 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1ju3 n SER 525 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ju3 n SER 526 N -0.60 1.28 -3.46 -3.46 7.64 -1.26 -0.21 113.62 113.55 1ju3 n SER 526 Ca 0.00 -2.08 -0.12 0.00 1.01 0.00 0.00 58.87 57.68 1ju3 n SER 526 Cb 0.00 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 1ju3 n SER 526 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ju3 s SER 527 N -1.30 -0.53 -0.48 6.43 1.04 -1.26 -4.32 113.70 113.28 1ju3 s SER 527 Ca 0.09 0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.69 1ju3 s SER 527 Cb 0.08 0.53 0.20 0.00 0.10 0.00 0.00 66.02 66.93 1ju3 s SER 527 CO 0.01 -0.82 0.82 -3.20 0.98 0.00 0.00 173.24 171.03 1ju3 n ASN 528 N -0.11 -3.04 -4.74 7.02 5.15 -1.24 -4.42 115.26 113.89 1ju3 n ASN 528 Ca -0.15 -2.59 -0.35 0.00 -0.60 0.00 0.00 54.58 50.88 1ju3 n ASN 528 Cb 0.63 1.57 -0.08 0.00 -0.53 0.00 0.00 39.78 41.36 1ju3 n ASN 528 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1ju3 s PHE 529 N 0.86 3.34 -1.03 1.20 5.36 -0.54 -0.99 117.98 126.19 1ju3 s PHE 529 Ca 0.29 0.27 0.09 0.00 -0.96 0.00 0.00 56.93 56.62 1ju3 s PHE 529 Cb 0.04 -1.93 0.41 0.00 -0.34 0.00 0.00 43.02 41.21 1ju3 s PHE 529 CO -0.08 0.47 1.20 -0.35 -1.46 0.00 0.00 175.22 175.00 1ju3 n PRO 530 N 2.50 2.72 -0.29 10.12 -0.04 -1.26 -0.62 135.00 148.13 1ju3 n PRO 530 Ca -0.18 -1.59 0.04 0.00 -0.04 0.00 0.00 63.50 61.72 1ju3 n PRO 530 Cb 0.54 -1.73 0.24 0.00 -0.04 0.00 0.00 33.50 32.52 1ju3 n PRO 530 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ju3 h LYS 531 N 2.17 0.99 -4.83 0.54 1.63 -1.85 -2.47 116.57 112.75 1ju3 h LYS 531 Ca 0.00 -0.06 -0.35 0.00 -0.85 0.00 0.00 60.65 59.39 1ju3 h LYS 531 Cb 1.06 -0.22 -0.24 0.00 -0.60 0.00 0.00 32.23 32.22 1ju3 h LYS 531 CO 0.18 0.65 -0.76 0.71 -3.45 0.00 0.00 179.45 176.79 1ju3 s TYR 532 N -5.89 0.86 0.75 1.91 2.02 -0.16 -3.96 117.35 112.88 1ju3 s TYR 532 Ca -0.11 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 1ju3 s TYR 532 Cb 0.20 -0.52 0.04 0.00 -0.40 0.00 0.00 41.96 41.29 1ju3 s TYR 532 CO 0.80 -0.02 1.09 0.16 -1.57 0.00 0.00 175.55 176.01 1ju3 s ASP 533 N -1.16 4.68 0.10 2.29 -4.77 0.18 -4.00 116.67 113.99 1ju3 s ASP 533 Ca -0.03 1.82 -0.30 0.00 -3.30 0.00 0.00 52.55 50.73 1ju3 s ASP 533 Cb -0.08 -2.52 -0.06 0.00 -1.09 0.00 0.00 42.92 39.17 1ju3 s ASP 533 CO 0.01 -1.92 1.05 -0.13 0.70 0.00 0.00 175.17 174.88 1ju3 s ARG 534 N -4.83 4.60 0.12 2.11 0.52 -1.26 -4.83 118.95 115.38 1ju3 s ARG 534 Ca 0.61 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 57.10 1ju3 s ARG 534 Cb -0.17 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 1ju3 s ARG 534 CO 0.54 0.05 1.02 1.21 0.02 0.00 0.00 175.30 178.13 1ju3 s ASN 535 N 0.33 7.40 0.28 0.23 3.04 -1.26 -4.93 114.94 120.02 1ju3 s ASN 535 Ca 0.51 1.89 0.26 0.00 0.04 0.00 0.00 52.86 55.55 1ju3 s ASN 535 Cb -0.26 -2.59 0.89 0.00 -1.54 0.00 0.00 41.25 37.75 1ju3 s ASN 535 CO 0.31 -0.15 1.76 0.77 -3.04 0.00 0.00 177.10 176.75 1ju3 h SER 536 N 5.58 0.00 -2.46 -4.21 4.64 -1.92 -3.43 113.55 111.75 1ju3 h SER 536 Ca -0.43 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.54 1ju3 h SER 536 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1ju3 h SER 536 CO 0.73 0.00 -0.45 0.59 -0.87 0.00 0.00 176.83 176.83 1ju3 n ASN 537 N -2.39 -5.15 -0.02 4.97 3.02 -1.26 -1.46 115.26 112.97 1ju3 n ASN 537 Ca 0.04 -0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1ju3 n ASN 537 Cb 0.35 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.26 1ju3 n ASN 537 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ju3 n THR 538 N -3.97 0.26 -0.48 3.41 -2.24 -1.26 -4.46 114.28 105.55 1ju3 n THR 538 Ca -0.21 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1ju3 n THR 538 Cb 0.66 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1ju3 n THR 538 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ju3 n GLY 539 N 2.72 0.75 0.00 3.38 0.00 -1.26 -4.80 105.19 105.98 1ju3 n GLY 539 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ju3 n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ju3 n GLY 540 N -2.32 0.47 3.50 -0.02 0.00 -1.26 -4.98 105.19 100.59 1ju3 n GLY 540 Ca 0.00 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1ju3 n GLY 540 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ju3 s VAL 541 N 0.17 4.17 0.27 1.61 1.01 -1.26 -4.90 120.40 121.48 1ju3 s VAL 541 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1ju3 s VAL 541 Cb 0.00 -4.86 0.35 0.00 0.00 0.00 0.00 36.38 31.87 1ju3 s VAL 541 CO 0.00 -1.69 1.60 0.40 0.00 0.00 0.00 175.10 175.41 1ju3 h ILE 542 N 6.18 0.18 0.00 2.22 2.04 -1.96 -1.26 117.51 124.91 1ju3 h ILE 542 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1ju3 h ILE 542 Cb 1.04 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1ju3 h ILE 542 CO 1.25 0.01 0.00 0.00 0.00 0.00 0.00 178.15 179.41 1ju3 n ALA 543 N -3.12 1.91 0.60 1.87 0.00 -1.26 -2.59 120.51 117.92 1ju3 n ALA 543 Ca 0.17 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1ju3 n ALA 543 Cb 0.57 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.77 1ju3 n ALA 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ju3 n ARG 544 N -1.42 1.03 -3.42 0.00 5.12 -0.49 -1.12 116.66 116.36 1ju3 n ARG 544 Ca 0.06 -1.34 -0.34 0.00 -1.93 0.00 0.00 57.85 54.30 1ju3 n ARG 544 Cb 0.19 -1.27 -0.06 0.00 -1.16 0.00 0.00 32.46 30.16 1ju3 n ARG 544 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ju3 s GLU 545 N -1.22 3.89 0.34 5.56 2.02 -1.07 -4.79 118.70 123.43 1ju3 s GLU 545 Ca 0.17 0.37 -0.15 0.00 0.02 0.00 0.00 54.97 55.37 1ju3 s GLU 545 Cb 0.12 -2.88 -0.09 0.00 0.10 0.00 0.00 34.13 31.38 1ju3 s GLU 545 CO 0.19 0.46 0.76 -0.65 0.02 0.00 0.00 175.26 176.03 1ju3 s GLN 546 N -2.17 4.01 0.40 1.61 -1.52 -1.26 -3.97 119.66 116.76 1ju3 s GLN 546 Ca 0.39 0.70 0.08 0.00 -1.95 0.00 0.00 55.36 54.58 1ju3 s GLN 546 Cb -0.14 -2.40 0.85 0.00 -0.22 0.00 0.00 33.01 31.10 1ju3 s GLN 546 CO 0.19 0.12 2.01 1.25 -0.25 0.00 0.00 175.29 178.62 1ju3 h LEU 547 N 2.15 0.51 -1.26 2.90 5.85 -1.97 -2.28 115.31 121.21 1ju3 h LEU 547 Ca -0.48 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 1ju3 h LEU 547 Cb 1.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1ju3 h LEU 547 CO 0.65 0.35 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.49 1ju3 h GLU 548 N 0.59 0.00 -0.02 1.25 4.39 -1.99 -2.71 114.58 116.10 1ju3 h GLU 548 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ju3 h GLU 548 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ju3 h GLU 548 CO -0.06 0.28 -0.08 -0.85 -1.16 0.00 0.00 179.01 177.14 1ju3 n GLU 549 N -3.61 1.62 -2.57 2.33 0.28 -0.87 -4.91 120.64 112.91 1ju3 n GLU 549 Ca -0.01 -1.08 -0.32 0.00 -0.16 0.00 0.00 57.16 55.59 1ju3 n GLU 549 Cb 0.41 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.76 1ju3 n GLU 549 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1ju3 s MET 550 N -2.13 3.96 0.26 3.44 -1.94 -1.02 -4.98 119.30 116.89 1ju3 s MET 550 Ca 0.32 0.88 0.11 0.00 -1.71 0.00 0.00 55.69 55.29 1ju3 s MET 550 Cb 0.20 -2.20 -0.05 0.00 2.01 0.00 0.00 34.83 34.80 1ju3 s MET 550 CO 0.38 -0.18 -0.12 0.00 -0.01 0.00 0.00 175.02 175.09 1ju3 s THR 552 N -2.27 4.96 -0.03 0.00 -4.23 -1.26 -4.43 115.64 108.38 1ju3 s THR 552 Ca 0.29 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 1ju3 s THR 552 Cb -0.06 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 1ju3 s THR 552 CO 0.16 -0.28 -0.12 0.00 -0.54 0.00 0.00 174.62 173.85 1ju3 s ALA 553 N -2.05 1.05 -0.56 3.99 0.00 -0.08 -4.88 121.76 119.23 1ju3 s ALA 553 Ca 0.46 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1ju3 s ALA 553 Cb -0.11 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.75 1ju3 s ALA 553 CO 0.28 0.19 0.65 0.08 0.00 0.00 0.00 175.76 176.96 1ju3 s VAL 554 N 0.08 4.90 -0.01 0.00 1.01 -1.26 -0.36 120.40 124.75 1ju3 s VAL 554 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1ju3 s VAL 554 Cb -0.09 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1ju3 s VAL 554 CO 0.01 -1.00 0.18 0.20 0.00 0.00 0.00 175.10 174.49 1ju3 s ASN 555 N 3.38 6.37 -0.01 3.32 0.01 -0.31 -2.18 114.94 125.51 1ju3 s ASN 555 Ca 0.11 0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 1ju3 s ASN 555 Cb -0.24 -2.00 0.01 0.00 0.41 0.00 0.00 41.25 39.42 1ju3 s ASN 555 CO 0.07 0.27 -0.03 -0.60 -1.51 0.00 0.00 177.10 175.30 1ju3 s ARG 556 N -1.92 0.34 -0.20 -0.60 3.52 -0.11 -1.64 118.95 118.34 1ju3 s ARG 556 Ca 0.27 -0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.75 1ju3 s ARG 556 Cb -0.13 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.86 1ju3 s ARG 556 CO 0.18 0.01 0.00 0.42 -0.81 0.00 0.00 175.30 175.11 1ju3 s ILE 557 N 0.29 3.96 -0.14 4.11 -1.09 -0.20 -1.58 121.20 126.56 1ju3 s ILE 557 Ca -0.03 -0.31 -0.09 0.00 -2.23 0.00 0.00 60.65 57.99 1ju3 s ILE 557 Cb -0.06 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1ju3 s ILE 557 CO -0.01 0.43 0.17 -1.00 -1.23 0.00 0.00 174.94 173.30 1ju3 s HIS 558 N 1.01 3.54 -0.05 3.97 3.76 0.26 -1.11 115.29 126.66 1ju3 s HIS 558 Ca 0.02 0.51 -0.04 0.00 -0.15 0.00 0.00 55.06 55.40 1ju3 s HIS 558 Cb -0.14 -2.07 0.02 0.00 1.11 0.00 0.00 32.58 31.50 1ju3 s HIS 558 CO 0.02 0.55 0.13 -0.98 -0.85 0.00 0.00 174.74 173.61 1ju3 s ARG 559 N -0.47 0.12 0.00 1.40 1.70 -0.55 -4.25 118.95 116.90 1ju3 s ARG 559 Ca 0.14 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 1ju3 s ARG 559 Cb -0.12 -0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 1ju3 s ARG 559 CO 0.03 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 1ju3 n GLY 560 N 3.53 -0.22 0.10 3.88 0.00 -0.86 -0.43 105.19 111.18 1ju3 n GLY 560 Ca -0.18 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 1ju3 n GLY 560 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ju3 h PRO 561 N 0.24 0.24 0.00 1.61 0.11 -1.78 -2.78 132.00 129.64 1ju3 h PRO 561 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1ju3 h PRO 561 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1ju3 h PRO 561 CO 0.00 0.33 -0.27 0.39 -0.21 0.00 0.00 178.00 178.24 1ju3 n GLU 562 N -4.86 0.27 -3.27 1.05 -0.58 -1.26 -4.24 120.64 107.75 1ju3 n GLU 562 Ca -0.05 0.16 -0.25 0.00 -0.42 0.00 0.00 57.16 56.60 1ju3 n GLU 562 Cb 0.12 -1.75 -0.07 0.00 -0.57 0.00 0.00 31.44 29.17 1ju3 n GLU 562 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1ju3 n HIS 563 N -2.18 1.12 -1.52 -0.32 8.25 -1.21 -5.06 115.22 114.31 1ju3 n HIS 563 Ca 0.05 -3.78 -0.41 0.00 -0.26 0.00 0.00 57.72 53.31 1ju3 n HIS 563 Cb 0.43 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 1ju3 n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ju3 n PRO 564 N 1.16 2.04 -1.92 -0.41 -0.04 -1.05 -2.03 135.00 132.75 1ju3 n PRO 564 Ca 0.24 -2.24 -0.42 0.00 -0.04 0.00 0.00 63.50 61.05 1ju3 n PRO 564 Cb 0.49 -3.15 -0.02 0.00 -0.04 0.00 0.00 33.50 30.77 1ju3 n PRO 564 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ju3 s SER 565 N 4.54 6.55 0.22 3.54 0.01 -1.26 -4.95 113.70 122.35 1ju3 s SER 565 Ca 0.55 2.73 -0.17 0.00 1.31 0.00 0.00 55.95 60.36 1ju3 s SER 565 Cb 0.12 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1ju3 s SER 565 CO 0.05 -0.81 0.54 -1.38 0.41 0.00 0.00 173.24 172.06 1ju3 s HIS 566 N 0.45 -0.05 -0.10 2.43 -3.43 -0.01 -1.66 115.29 112.92 1ju3 s HIS 566 Ca 0.65 -0.31 0.01 0.00 -0.80 0.00 0.00 55.06 54.60 1ju3 s HIS 566 Cb -0.44 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 31.09 1ju3 s HIS 566 CO 0.40 -0.97 -0.11 -1.50 -2.00 0.00 0.00 174.74 170.56 1ju3 s ILE 567 N -3.90 3.33 -0.39 -5.38 2.07 -0.58 -0.67 121.20 115.69 1ju3 s ILE 567 Ca 0.12 -0.59 -0.17 0.00 -1.41 0.00 0.00 60.65 58.60 1ju3 s ILE 567 Cb -0.02 -2.38 0.01 0.00 0.13 0.00 0.00 42.46 40.21 1ju3 s ILE 567 CO 0.00 0.55 0.43 -0.69 -1.91 0.00 0.00 174.94 173.33 1ju3 s VAL 568 N -0.21 5.09 -0.20 4.00 1.01 0.78 -0.49 120.40 130.39 1ju3 s VAL 568 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1ju3 s VAL 568 Cb -0.13 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1ju3 s VAL 568 CO 0.03 -0.29 0.07 -0.76 0.00 0.00 0.00 175.10 174.15 1ju3 s LEU 569 N 2.16 3.78 -1.07 3.92 1.43 -0.11 -3.31 118.68 125.48 1ju3 s LEU 569 Ca 0.13 0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1ju3 s LEU 569 Cb -0.17 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.12 1ju3 s LEU 569 CO 0.13 0.13 1.63 -2.16 0.23 0.00 0.00 176.35 176.32 1ju3 s PRO 570 N 0.61 3.42 -0.03 1.29 0.04 -1.26 -1.03 135.00 138.04 1ju3 s PRO 570 Ca 0.04 -1.17 -0.30 0.00 0.04 0.00 0.00 61.00 59.61 1ju3 s PRO 570 Cb -0.13 -5.34 -0.03 0.00 0.04 0.00 0.00 34.50 29.04 1ju3 s PRO 570 CO 0.01 -2.54 1.05 0.42 0.04 0.00 0.00 177.00 175.98 1ju3 s ILE 571 N 6.11 4.64 -0.15 0.56 -1.09 -0.18 -1.46 121.20 129.64 1ju3 s ILE 571 Ca 0.53 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.86 1ju3 s ILE 571 Cb -0.00 -4.22 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1ju3 s ILE 571 CO -0.03 0.09 -0.16 -0.63 -1.23 0.00 0.00 174.94 172.98 1ju3 s ILE 572 N 1.45 2.66 -0.21 2.92 -1.09 -0.50 -1.27 121.20 125.16 1ju3 s ILE 572 Ca 0.52 -0.78 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1ju3 s ILE 572 Cb -0.22 -2.12 0.04 0.00 -1.58 0.00 0.00 42.46 38.58 1ju3 s ILE 572 CO 0.25 0.52 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.78 1ju3 s LYS 573 N 0.77 2.57 0.00 2.79 1.02 -1.26 -3.96 119.74 121.67 1ju3 s LYS 573 Ca -0.06 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1ju3 s LYS 573 Cb -0.15 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1ju3 s LYS 573 CO 0.01 -0.36 0.12 0.54 -0.92 0.00 0.00 175.35 174.73