#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1j s SER 11 N 0.00 0.05 -0.04 1.09 1.04 -1.26 -4.86 113.70 109.73 1p1j s SER 11 Ca 0.00 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.30 1p1j s SER 11 Cb 0.00 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1p1j s SER 11 CO 0.00 -1.02 -0.06 -0.69 0.98 0.00 0.00 173.24 172.45 1p1j s VAL 12 N -4.04 0.61 -0.19 5.02 1.01 -1.22 -5.00 120.40 116.59 1p1j s VAL 12 Ca 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1p1j s VAL 12 Cb 0.03 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1p1j s VAL 12 CO 0.11 0.22 -0.04 -0.75 0.00 0.00 0.00 175.10 174.64 1p1j s LYS 13 N 0.60 1.40 -0.17 2.72 2.47 -1.26 -4.98 119.74 120.51 1p1j s LYS 13 Ca -0.08 -0.63 -0.11 0.00 -1.56 0.00 0.00 55.97 53.59 1p1j s LYS 13 Cb -0.12 -2.17 -0.05 0.00 -1.46 0.00 0.00 37.83 34.03 1p1j s LYS 13 CO 0.00 -0.50 0.19 0.08 0.16 0.00 0.00 175.35 175.29 1p1j s VAL 14 N 1.60 5.38 -0.57 4.02 1.01 -1.26 -5.04 120.40 125.54 1p1j s VAL 14 Ca -0.01 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 1p1j s VAL 14 Cb -0.16 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1p1j s VAL 14 CO -0.07 0.44 1.07 -0.69 0.00 0.00 0.00 175.10 175.85 1p1j s VAL 15 N 0.22 4.20 -0.07 2.92 1.01 -1.26 -4.97 120.40 122.45 1p1j s VAL 15 Ca 0.12 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 1p1j s VAL 15 Cb -0.12 -4.63 0.06 0.00 0.00 0.00 0.00 36.38 31.68 1p1j s VAL 15 CO 0.01 -1.23 0.58 0.28 0.00 0.00 0.00 175.10 174.74 1p1j s THR 16 N 4.46 0.01 -2.32 3.92 -1.32 -1.26 -5.01 115.64 114.12 1p1j s THR 16 Ca 0.37 -0.11 0.21 0.00 -1.21 0.00 0.00 61.69 60.95 1p1j s THR 16 Cb -0.10 -0.89 0.44 0.00 -1.51 0.00 0.00 72.50 70.44 1p1j s THR 16 CO 0.22 -0.06 1.46 -0.90 -2.21 0.00 0.00 174.62 173.13 1p1j n ASP 17 N 1.29 2.49 0.08 8.08 3.85 -1.26 -3.82 116.55 127.26 1p1j n ASP 17 Ca -0.19 -1.87 0.12 0.00 -0.71 0.00 0.00 54.79 52.15 1p1j n ASP 17 Cb 0.57 -0.19 0.20 0.00 -1.35 0.00 0.00 41.12 40.34 1p1j n ASP 17 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1p1j h LYS 18 N 3.17 0.00 -6.04 0.11 1.57 -1.94 -3.46 116.57 109.99 1p1j h LYS 18 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1p1j h LYS 18 Cb 0.70 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.74 1p1j h LYS 18 CO 0.00 0.00 -0.81 0.00 -0.57 0.00 0.00 179.45 178.07 1p1j s THR 20 N -0.32 0.14 -0.18 0.00 -4.23 -0.19 -4.94 115.64 105.92 1p1j s THR 20 Ca 0.02 -0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 1p1j s THR 20 Cb -0.13 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1p1j s THR 20 CO 0.02 0.06 0.05 -0.31 -0.54 0.00 0.00 174.62 173.90 1p1j s TYR 21 N 0.18 3.23 -0.24 3.99 1.51 -1.26 -0.80 117.35 123.96 1p1j s TYR 21 Ca -0.01 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.04 1p1j s TYR 21 Cb -0.03 -2.06 0.10 0.00 -0.11 0.00 0.00 41.96 39.85 1p1j s TYR 21 CO -0.01 0.13 0.19 0.21 -1.11 0.00 0.00 175.55 174.97 1p1j s LYS 22 N 0.36 0.20 -0.88 -0.62 2.20 0.45 -4.95 119.74 116.50 1p1j s LYS 22 Ca 0.02 -0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.51 1p1j s LYS 22 Cb -0.13 -1.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.97 1p1j s LYS 22 CO 0.00 -0.82 0.79 -0.25 -0.36 0.00 0.00 175.35 174.71 1p1j n ASP 23 N 5.29 -7.17 -3.11 1.43 10.43 -1.26 -2.63 116.55 119.54 1p1j n ASP 23 Ca -0.05 -0.39 -0.20 0.00 2.57 0.00 0.00 54.79 56.72 1p1j n ASP 23 Cb 0.47 -5.10 -0.00 0.00 1.84 0.00 0.00 41.12 38.33 1p1j n ASP 23 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1p1j n ASN 24 N -2.42 -3.89 -3.93 -2.24 4.13 -1.26 -4.94 115.26 100.72 1p1j n ASN 24 Ca -0.04 -0.23 -0.20 0.00 1.68 0.00 0.00 54.58 55.79 1p1j n ASN 24 Cb 0.56 -3.23 -0.16 0.00 -1.54 0.00 0.00 39.78 35.40 1p1j n ASN 24 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1p1j s GLU 25 N -5.75 0.92 -0.22 3.52 2.56 -1.08 -1.35 118.70 117.30 1p1j s GLU 25 Ca 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 54.97 55.01 1p1j s GLU 25 Cb -0.15 -0.88 -0.04 0.00 2.00 0.00 0.00 34.13 35.06 1p1j s GLU 25 CO 0.36 -0.02 0.08 -1.17 -0.56 0.00 0.00 175.26 173.95 1p1j s LEU 26 N 0.69 3.70 -0.18 2.70 2.96 -0.35 -0.41 118.68 127.79 1p1j s LEU 26 Ca -0.10 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1p1j s LEU 26 Cb -0.13 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1p1j s LEU 26 CO 0.01 0.07 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 1p1j s LEU 27 N 1.00 2.89 -0.07 -0.68 2.01 0.02 -0.36 118.68 123.50 1p1j s LEU 27 Ca 0.04 -0.33 0.02 0.00 0.01 0.00 0.00 54.13 53.87 1p1j s LEU 27 Cb -0.14 -1.71 0.02 0.00 0.01 0.00 0.00 46.19 44.37 1p1j s LEU 27 CO 0.03 0.06 -0.11 -0.89 1.01 0.00 0.00 176.35 176.45 1p1j s THR 28 N 0.98 1.09 0.14 5.49 2.01 0.42 -1.02 115.64 124.75 1p1j s THR 28 Ca -0.00 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 1p1j s THR 28 Cb -0.15 -1.02 -0.08 0.00 0.01 0.00 0.00 72.50 71.27 1p1j s THR 28 CO 0.00 0.35 0.71 -0.54 -0.69 0.00 0.00 174.62 174.45 1p1j s LYS 29 N 0.81 4.43 -0.16 4.92 1.02 0.04 -0.22 119.74 130.59 1p1j s LYS 29 Ca -0.12 1.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.77 1p1j s LYS 29 Cb -0.15 -3.23 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 1p1j s LYS 29 CO 0.02 0.58 0.40 -0.47 -0.92 0.00 0.00 175.35 174.96 1p1j s TYR 30 N -1.16 -0.54 -0.35 3.18 6.14 -0.51 -4.91 117.35 119.21 1p1j s TYR 30 Ca 0.34 1.19 -0.10 0.00 0.64 0.00 0.00 57.07 59.14 1p1j s TYR 30 Cb -0.22 0.22 0.01 0.00 0.42 0.00 0.00 41.96 42.40 1p1j s TYR 30 CO 0.24 -0.29 0.19 0.45 0.64 0.00 0.00 175.55 176.77 1p1j s SER 31 N 1.00 5.67 -0.26 4.32 0.15 -1.26 0.02 113.70 123.34 1p1j s SER 31 Ca -0.06 -0.82 -0.19 0.00 0.70 0.00 0.00 55.95 55.57 1p1j s SER 31 Cb -0.07 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 1p1j s SER 31 CO -0.08 -0.31 0.59 -0.47 1.20 0.00 0.00 173.24 174.16 1p1j s TYR 32 N 1.58 3.27 -0.00 3.44 6.14 0.45 -4.92 117.35 127.30 1p1j s TYR 32 Ca 0.03 0.73 0.03 0.00 0.64 0.00 0.00 57.07 58.49 1p1j s TYR 32 Cb -0.18 -2.82 -0.03 0.00 0.42 0.00 0.00 41.96 39.34 1p1j s TYR 32 CO 0.06 -0.33 -0.05 -1.21 0.64 0.00 0.00 175.55 174.66 1p1j s GLU 33 N 2.45 2.61 0.00 4.97 2.02 -1.26 -1.06 118.70 128.43 1p1j s GLU 33 Ca 0.24 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1p1j s GLU 33 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1p1j s GLU 33 CO 0.09 0.61 0.00 -1.71 0.02 0.00 0.00 175.26 174.27 1p1j n ASN 34 N 1.57 0.00 -3.60 -0.19 4.05 -0.87 -4.99 115.26 111.23 1p1j n ASN 34 Ca -0.15 -0.55 -0.15 0.00 0.45 0.00 0.00 54.58 54.17 1p1j n ASN 34 Cb 0.53 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.47 1p1j n ASN 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p1j s ALA 35 N -1.20 -1.72 -0.15 5.20 0.00 -1.26 -0.41 121.76 122.22 1p1j s ALA 35 Ca 0.00 1.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.60 1p1j s ALA 35 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1p1j s ALA 35 CO 0.00 -0.34 0.07 0.08 0.00 0.00 0.00 175.76 175.56 1p1j s VAL 36 N -0.23 4.85 0.03 0.00 1.01 -0.03 -4.91 120.40 121.12 1p1j s VAL 36 Ca -0.04 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1p1j s VAL 36 Cb -0.03 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1p1j s VAL 36 CO 0.04 0.52 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 1p1j s VAL 37 N -0.17 1.95 0.00 2.92 1.01 -1.26 -1.12 120.40 123.74 1p1j s VAL 37 Ca 0.08 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1p1j s VAL 37 Cb -0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1p1j s VAL 37 CO 0.01 0.36 -0.08 0.42 0.00 0.00 0.00 175.10 175.81 1p1j s THR 38 N -0.75 0.58 -0.11 3.92 -4.23 -0.88 -4.99 115.64 109.19 1p1j s THR 38 Ca 0.10 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 1p1j s THR 38 Cb -0.09 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 1p1j s THR 38 CO 0.01 0.07 -0.16 -0.75 -0.54 0.00 0.00 174.62 173.25 1p1j s LYS 39 N -0.43 3.12 0.53 3.99 2.20 -1.26 -0.58 119.74 127.32 1p1j s LYS 39 Ca 0.01 -0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1p1j s LYS 39 Cb -0.04 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1p1j s LYS 39 CO -0.00 0.29 0.81 0.95 -0.36 0.00 0.00 175.35 177.04 1p1j s THR 40 N 0.14 3.91 0.41 3.43 -4.23 -0.28 -4.93 115.64 114.07 1p1j s THR 40 Ca -0.08 -0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.36 1p1j s THR 40 Cb -0.15 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.45 1p1j s THR 40 CO 0.05 -0.46 2.06 0.00 -0.54 0.00 0.00 174.62 175.72 1p1j h ALA 41 N 0.06 1.69 0.00 3.99 0.00 -2.00 0.66 119.26 123.65 1p1j h ALA 41 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1p1j h ALA 41 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1p1j h ALA 41 CO 0.60 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 179.00 1p1j n SER 42 N -4.47 0.00 0.00 0.00 3.41 -1.26 -4.84 113.62 106.46 1p1j n SER 42 Ca 0.03 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1p1j n SER 42 Cb 0.06 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1p1j n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p1j n GLY 43 N -0.14 0.66 3.74 5.00 0.00 0.22 -5.06 105.19 109.61 1p1j n GLY 43 Ca 0.07 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1p1j n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p1j s ARG 44 N -1.64 4.17 -0.34 1.61 3.52 -1.25 -4.87 118.95 120.16 1p1j s ARG 44 Ca 0.00 -0.08 -0.16 0.00 -0.13 0.00 0.00 55.73 55.35 1p1j s ARG 44 Cb 0.00 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1p1j s ARG 44 CO 0.00 0.31 0.43 -0.06 -0.81 0.00 0.00 175.30 175.16 1p1j s PHE 45 N 0.31 3.20 -0.34 5.12 0.08 -1.26 -1.13 117.98 123.96 1p1j s PHE 45 Ca 0.12 0.09 -0.15 0.00 0.12 0.00 0.00 56.93 57.11 1p1j s PHE 45 Cb -0.12 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1p1j s PHE 45 CO 0.01 -0.47 0.35 -0.51 -0.10 0.00 0.00 175.22 174.50 1p1j s ASP 46 N 1.74 6.17 -0.22 1.36 1.01 0.25 -4.96 116.67 122.02 1p1j s ASP 46 Ca 0.15 -0.26 -0.06 0.00 0.71 0.00 0.00 52.55 53.08 1p1j s ASP 46 Cb -0.16 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1p1j s ASP 46 CO 0.12 -0.33 0.04 -0.69 0.21 0.00 0.00 175.17 174.52 1p1j s VAL 47 N 1.98 4.18 -0.32 -1.27 1.01 -1.26 -2.06 120.40 122.66 1p1j s VAL 47 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1p1j s VAL 47 Cb -0.17 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1p1j s VAL 47 CO 0.12 0.39 0.04 -0.89 0.00 0.00 0.00 175.10 174.75 1p1j s THR 48 N 1.27 2.88 0.57 3.92 2.01 -0.28 -4.96 115.64 121.04 1p1j s THR 48 Ca 0.04 -1.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.17 1p1j s THR 48 Cb -0.15 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1p1j s THR 48 CO 0.02 -0.28 1.30 -2.84 -0.69 0.00 0.00 174.62 172.13 1p1j s PRO 49 N 1.17 3.05 0.17 4.92 0.02 -1.26 -0.85 135.00 142.21 1p1j s PRO 49 Ca -0.01 2.08 0.07 0.00 0.02 0.00 0.00 61.00 63.16 1p1j s PRO 49 Cb -0.20 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1p1j s PRO 49 CO -0.03 -1.21 -0.14 0.95 -0.33 0.00 0.00 177.00 176.24 1p1j s THR 50 N -1.39 1.51 -0.07 0.99 -4.23 0.46 -4.85 115.64 108.05 1p1j s THR 50 Ca 0.74 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 1p1j s THR 50 Cb -0.37 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1p1j s THR 50 CO 0.42 -0.56 0.24 0.54 -0.54 0.00 0.00 174.62 174.72 1p1j s VAL 51 N -2.77 0.02 -0.16 2.29 0.11 -1.26 -2.05 120.40 116.59 1p1j s VAL 51 Ca 0.17 -0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 1p1j s VAL 51 Cb -0.01 -0.41 0.08 0.00 -1.53 0.00 0.00 36.38 34.50 1p1j s VAL 51 CO 0.04 -0.10 0.33 -1.58 -3.33 0.00 0.00 175.10 170.46 1p1j s GLN 52 N -0.34 0.23 0.21 1.54 2.00 -0.22 -4.99 119.66 118.08 1p1j s GLN 52 Ca -0.05 0.87 -0.18 0.00 -2.00 0.00 0.00 55.36 54.00 1p1j s GLN 52 Cb -0.03 0.12 -0.08 0.00 0.80 0.00 0.00 33.01 33.82 1p1j s GLN 52 CO 0.01 -0.26 0.68 -0.51 -0.50 0.00 0.00 175.29 174.71 1p1j s ASP 53 N 2.45 7.00 0.18 6.67 1.01 -1.26 -0.41 116.67 132.31 1p1j s ASP 53 Ca -0.01 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.59 1p1j s ASP 53 Cb -0.12 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1p1j s ASP 53 CO -0.10 0.04 0.07 -0.31 0.21 0.00 0.00 175.17 175.08 1p1j s TYR 54 N -1.52 1.14 -0.17 4.23 1.51 0.10 -1.39 117.35 121.26 1p1j s TYR 54 Ca 0.42 -1.21 -0.02 0.00 -1.01 0.00 0.00 57.07 55.25 1p1j s TYR 54 Cb -0.16 -0.63 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1p1j s TYR 54 CO 0.20 -0.44 0.01 0.08 -1.11 0.00 0.00 175.55 174.30 1p1j s VAL 55 N -3.93 0.62 0.03 0.71 1.01 -0.50 -1.42 120.40 116.92 1p1j s VAL 55 Ca 0.30 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1p1j s VAL 55 Cb 0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1p1j s VAL 55 CO 0.07 -0.07 0.32 -0.36 0.00 0.00 0.00 175.10 175.06 1p1j s PHE 56 N 1.83 3.59 -0.12 5.22 0.40 0.70 -1.89 117.98 127.72 1p1j s PHE 56 Ca 0.00 0.68 0.02 0.00 -0.60 0.00 0.00 56.93 57.04 1p1j s PHE 56 Cb -0.16 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1p1j s PHE 56 CO -0.07 0.59 -0.19 0.21 0.70 0.00 0.00 175.22 176.45 1p1j s LYS 57 N -1.73 2.61 -0.21 0.44 2.20 0.66 -0.44 119.74 123.28 1p1j s LYS 57 Ca 0.29 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1p1j s LYS 57 Cb -0.14 -2.12 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 1p1j s LYS 57 CO 0.16 0.00 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.85 1p1j s LEU 58 N 0.79 2.56 -0.36 5.43 2.96 0.52 -1.33 118.68 129.25 1p1j s LEU 58 Ca -0.09 -0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 52.89 1p1j s LEU 58 Cb -0.16 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 1p1j s LEU 58 CO 0.00 -0.03 1.50 -0.62 -1.32 0.00 0.00 176.35 175.88 1p1j s ASP 59 N 1.34 6.29 0.14 3.68 3.68 -0.12 -1.21 116.67 130.47 1p1j s ASP 59 Ca 0.04 1.06 0.24 0.00 2.13 0.00 0.00 52.55 56.01 1p1j s ASP 59 Cb -0.14 -2.54 0.92 0.00 -1.45 0.00 0.00 42.92 39.71 1p1j s ASP 59 CO -0.09 -1.43 1.74 0.18 0.13 0.00 0.00 175.17 175.71 1p1j n LEU 60 N 8.93 0.44 -4.48 -1.34 4.77 -0.46 -4.56 117.00 120.29 1p1j n LEU 60 Ca 0.18 0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 56.30 1p1j n LEU 60 Cb 0.47 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1p1j n LEU 60 CO 0.68 -0.25 0.97 -0.75 -1.33 0.00 0.00 177.39 176.71 1p1j s LYS 61 N -3.12 3.28 0.29 3.23 2.36 -1.25 -4.96 119.74 119.57 1p1j s LYS 61 Ca 0.09 -0.94 -0.09 0.00 -2.55 0.00 0.00 55.97 52.48 1p1j s LYS 61 Cb 0.13 -4.50 -0.07 0.00 -1.05 0.00 0.00 37.83 32.34 1p1j s LYS 61 CO 0.47 -1.92 0.62 -1.59 1.55 0.00 0.00 175.35 174.47 1p1j s LYS 62 N 4.24 3.77 0.39 4.03 -2.85 -1.26 -5.04 119.74 123.02 1p1j s LYS 62 Ca 0.30 0.29 -0.27 0.00 -1.00 0.00 0.00 55.97 55.28 1p1j s LYS 62 Cb -0.11 -2.57 -0.10 0.00 -2.06 0.00 0.00 37.83 32.99 1p1j s LYS 62 CO 0.05 0.20 1.41 -1.25 0.10 0.00 0.00 175.35 175.86 1p1j s PRO 63 N -3.24 4.03 0.39 1.78 0.04 -1.26 -4.90 135.00 131.85 1p1j s PRO 63 Ca 0.48 2.40 0.20 0.00 0.04 0.00 0.00 61.00 64.12 1p1j s PRO 63 Cb -0.11 -2.88 0.76 0.00 0.04 0.00 0.00 34.50 32.31 1p1j s PRO 63 CO 0.25 -0.53 1.77 0.93 0.04 0.00 0.00 177.00 179.46 1p1j h GLU 64 N 2.86 0.00 -3.54 4.56 5.08 -1.96 -3.43 114.58 118.15 1p1j h GLU 64 Ca -0.50 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.61 1p1j h GLU 64 Cb 1.24 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.19 1p1j h GLU 64 CO 0.63 0.33 -0.68 0.15 -1.00 0.00 0.00 179.01 178.44 1p1j s LYS 65 N -3.67 0.02 -0.17 2.33 -0.14 -1.26 -4.86 119.74 111.98 1p1j s LYS 65 Ca -0.00 0.15 -0.02 0.00 -1.36 0.00 0.00 55.97 54.74 1p1j s LYS 65 Cb 0.11 -0.10 -0.01 0.00 -1.68 0.00 0.00 37.83 36.15 1p1j s LYS 65 CO 0.67 -0.09 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.91 1p1j s LEU 66 N 0.56 2.75 0.11 3.17 2.96 -0.72 -4.72 118.68 122.79 1p1j s LEU 66 Ca -0.05 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.18 1p1j s LEU 66 Cb -0.06 -1.66 -0.06 0.00 0.50 0.00 0.00 46.19 44.91 1p1j s LEU 66 CO -0.02 0.07 1.02 -0.83 -1.32 0.00 0.00 176.35 175.27 1p1j s GLY 67 N 0.92 2.89 -0.10 7.98 0.00 -0.08 -0.75 107.32 118.18 1p1j s GLY 67 Ca -0.02 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.37 1p1j s GLY 67 CO -0.00 1.60 -0.12 -0.42 0.00 0.00 0.00 173.10 174.16 1p1j s ILE 68 N 0.20 1.29 -0.24 0.90 -1.09 0.36 -1.10 121.20 121.52 1p1j s ILE 68 Ca 0.49 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.43 1p1j s ILE 68 Cb -0.25 -1.21 0.05 0.00 -1.58 0.00 0.00 42.46 39.47 1p1j s ILE 68 CO 0.31 0.40 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.25 1p1j s MET 69 N 1.14 2.34 -0.20 2.79 -1.94 -0.43 -0.58 119.30 122.42 1p1j s MET 69 Ca -0.05 -1.18 -0.10 0.00 -1.71 0.00 0.00 55.69 52.66 1p1j s MET 69 Cb -0.14 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.88 1p1j s MET 69 CO -0.03 -0.49 0.12 -0.51 -0.01 0.00 0.00 175.02 174.11 1p1j s LEU 70 N 1.18 4.12 -0.30 -0.03 1.43 -0.46 -1.67 118.68 122.96 1p1j s LEU 70 Ca -0.05 0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 1p1j s LEU 70 Cb -0.18 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1p1j s LEU 70 CO -0.07 0.17 0.67 -0.63 0.23 0.00 0.00 176.35 176.72 1p1j s ILE 71 N 0.43 4.90 0.00 -0.59 1.01 -0.37 -1.09 121.20 125.50 1p1j s ILE 71 Ca 0.07 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1p1j s ILE 71 Cb -0.11 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1p1j s ILE 71 CO -0.01 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1p1j n GLY 72 N 4.33 1.94 0.38 6.18 0.00 0.12 0.01 105.19 118.15 1p1j n GLY 72 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1p1j n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p1j h LEU 73 N 0.00 0.39 -1.04 0.99 5.85 -1.27 -1.55 115.31 118.69 1p1j h LEU 73 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1p1j h LEU 73 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1p1j h LEU 73 CO 0.00 0.19 0.00 0.61 -0.34 0.00 0.00 178.44 178.90 1p1j n GLY 74 N -1.52 0.28 2.24 3.75 0.00 -1.26 -2.44 105.19 106.24 1p1j n GLY 74 Ca 0.15 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1p1j n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1j n GLY 75 N 1.02 -0.87 0.24 -0.02 0.00 -0.58 -4.72 105.19 100.25 1p1j n GLY 75 Ca 0.12 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1p1j n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p1j h ASN 76 N -0.86 -0.53 -0.33 1.61 4.21 -1.90 -0.75 115.58 117.04 1p1j h ASN 76 Ca -0.24 0.05 -0.10 0.00 1.21 0.00 0.00 56.30 57.23 1p1j h ASN 76 Cb 0.69 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 1p1j h ASN 76 CO 0.18 -0.30 -0.17 0.78 -1.29 0.00 0.00 177.43 176.64 1p1j h ASN 77 N -0.44 0.72 -0.26 5.81 2.35 -1.90 -2.06 115.58 119.80 1p1j h ASN 77 Ca -0.00 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 1p1j h ASN 77 Cb 0.40 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1p1j h ASN 77 CO -0.04 0.98 0.16 1.23 -1.65 0.00 0.00 177.43 178.10 1p1j h GLY 78 N 0.47 0.36 1.71 2.83 0.00 -1.70 0.25 103.07 107.00 1p1j h GLY 78 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1p1j h GLY 78 CO 0.05 0.12 -0.47 1.48 0.00 0.00 0.00 176.54 177.72 1p1j h SER 79 N 0.33 0.34 0.02 0.19 4.64 -0.79 -2.61 113.55 115.68 1p1j h SER 79 Ca 0.10 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 1p1j h SER 79 Cb -0.02 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1p1j h SER 79 CO -0.04 0.76 -0.42 0.74 -0.87 0.00 0.00 176.83 177.01 1p1j h THR 80 N 0.26 1.31 -0.02 2.95 2.02 -1.13 -1.69 112.91 116.60 1p1j h THR 80 Ca 0.02 -1.59 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 1p1j h THR 80 Cb 0.92 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1p1j h THR 80 CO 0.08 0.49 0.01 0.25 0.37 0.00 0.00 175.52 176.73 1p1j h LEU 81 N 0.41 0.03 -0.75 2.58 7.12 -0.68 0.80 115.31 124.82 1p1j h LEU 81 Ca 0.03 -0.04 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1p1j h LEU 81 Cb 0.91 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.00 1p1j h LEU 81 CO 0.08 0.06 0.29 0.58 -0.13 0.00 0.00 178.44 179.32 1p1j h VAL 82 N -0.00 1.25 -0.56 1.05 2.07 -1.38 -2.00 116.25 116.68 1p1j h VAL 82 Ca 0.01 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1p1j h VAL 82 Cb 0.03 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1p1j h VAL 82 CO -0.00 0.33 0.24 0.00 0.02 0.00 0.00 177.57 178.16 1p1j h ALA 83 N 1.14 0.72 -0.78 1.67 0.00 -1.03 -1.28 119.26 119.70 1p1j h ALA 83 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1p1j h ALA 83 Cb 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1p1j h ALA 83 CO -0.02 0.32 0.32 0.66 0.00 0.00 0.00 179.25 180.53 1p1j h SER 84 N 0.76 1.07 -0.12 0.00 4.64 -0.55 0.19 113.55 119.54 1p1j h SER 84 Ca 0.19 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1p1j h SER 84 Cb 0.17 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1p1j h SER 84 CO -0.02 0.94 0.00 0.58 -0.87 0.00 0.00 176.83 177.46 1p1j h VAL 85 N 1.13 1.25 -0.50 0.95 2.07 -1.13 -2.08 116.25 117.95 1p1j h VAL 85 Ca 0.26 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1p1j h VAL 85 Cb 0.20 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1p1j h VAL 85 CO -0.02 0.23 0.14 -0.07 0.02 0.00 0.00 177.57 177.87 1p1j h LEU 86 N -0.06 0.74 -0.48 2.57 3.38 -1.02 0.27 115.31 120.71 1p1j h LEU 86 Ca 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1p1j h LEU 86 Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1p1j h LEU 86 CO 0.01 0.77 0.22 0.00 0.09 0.00 0.00 178.44 179.53 1p1j h ALA 87 N 1.00 0.62 -0.10 1.53 0.00 -0.63 -1.37 119.26 120.31 1p1j h ALA 87 Ca 0.16 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1p1j h ALA 87 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1p1j h ALA 87 CO -0.00 0.19 -0.57 -0.91 0.00 0.00 0.00 179.25 177.96 1p1j h ASN 88 N 0.63 0.67 -0.89 0.00 2.35 -1.32 0.16 115.58 117.17 1p1j h ASN 88 Ca 0.16 -0.65 0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1p1j h ASN 88 Cb 0.13 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1p1j h ASN 88 CO -0.02 1.22 0.59 0.50 -1.65 0.00 0.00 177.43 178.07 1p1j h LYS 89 N 0.18 1.17 -0.62 0.81 3.64 -0.89 -2.84 116.57 118.02 1p1j h LYS 89 Ca -0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1p1j h LYS 89 Cb 1.21 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1p1j h LYS 89 CO 0.12 0.78 0.00 0.72 -2.27 0.00 0.00 179.45 178.79 1p1j n HIS 90 N -4.46 1.25 -3.88 1.91 8.25 -0.52 -4.97 115.22 112.79 1p1j n HIS 90 Ca 0.10 -0.59 -0.29 0.00 -0.26 0.00 0.00 57.72 56.68 1p1j n HIS 90 Cb 0.02 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1p1j n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1p1j n ASN 91 N 1.09 -2.12 -4.52 0.41 5.03 -0.59 -4.85 115.26 109.71 1p1j n ASN 91 Ca 0.24 -1.03 -0.42 0.00 0.87 0.00 0.00 54.58 54.23 1p1j n ASN 91 Cb 0.79 -3.04 -0.03 0.00 -1.02 0.00 0.00 39.78 36.48 1p1j n ASN 91 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1p1j s VAL 92 N -3.78 4.23 0.60 2.41 1.01 0.46 -4.96 120.40 120.37 1p1j s VAL 92 Ca 0.18 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1p1j s VAL 92 Cb -0.07 -4.96 -0.03 0.00 0.00 0.00 0.00 36.38 31.32 1p1j s VAL 92 CO 0.89 -1.78 1.10 -1.83 0.00 0.00 0.00 175.10 173.48 1p1j s GLU 93 N 4.10 3.14 0.03 2.72 -1.05 -1.26 -4.40 118.70 121.98 1p1j s GLU 93 Ca 0.41 1.42 -0.03 0.00 -0.15 0.00 0.00 54.97 56.62 1p1j s GLU 93 Cb -0.02 -1.99 -0.02 0.00 -0.44 0.00 0.00 34.13 31.66 1p1j s GLU 93 CO -0.10 -0.98 0.03 -0.59 0.95 0.00 0.00 175.26 174.57 1p1j s PHE 94 N -2.16 0.28 0.24 4.83 -0.12 -0.66 -4.96 117.98 115.43 1p1j s PHE 94 Ca 0.68 -0.62 -0.21 0.00 -0.05 0.00 0.00 56.93 56.73 1p1j s PHE 94 Cb -0.20 -0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 41.89 1p1j s PHE 94 CO 0.35 -0.31 0.76 -0.65 -0.05 0.00 0.00 175.22 175.32 1p1j s GLN 95 N -2.47 4.30 0.22 1.99 -1.52 -1.26 -0.83 119.66 120.10 1p1j s GLN 95 Ca -0.06 0.94 -0.07 0.00 -1.95 0.00 0.00 55.36 54.21 1p1j s GLN 95 Cb -0.02 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1p1j s GLN 95 CO -0.04 0.37 0.32 0.95 -0.25 0.00 0.00 175.29 176.63 1p1j s THR 96 N -1.55 0.00 -1.18 -0.19 -4.23 -0.89 -4.49 115.64 103.10 1p1j s THR 96 Ca 0.45 -1.67 0.16 0.00 -1.18 0.00 0.00 61.69 59.45 1p1j s THR 96 Cb -0.17 -2.32 0.19 0.00 1.34 0.00 0.00 72.50 71.55 1p1j s THR 96 CO 0.21 -0.01 1.49 2.29 -0.54 0.00 0.00 174.62 178.06 1p1j n LYS 97 N -0.33 0.10 -0.38 3.99 2.85 -1.26 -1.06 118.16 122.07 1p1j n LYS 97 Ca -0.00 0.19 0.10 0.00 -1.05 0.00 0.00 58.31 57.55 1p1j n LYS 97 Cb 0.64 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.82 1p1j n LYS 97 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1p1j n GLU 98 N -1.41 2.92 0.00 -1.58 4.71 -1.26 -5.07 120.64 118.95 1p1j n GLU 98 Ca 0.05 -2.62 0.00 0.00 -0.01 0.00 0.00 57.16 54.58 1p1j n GLU 98 Cb 0.16 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1p1j n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p1j n GLY 99 N 1.38 -2.72 3.71 0.62 0.00 -0.22 -4.96 105.19 103.00 1p1j n GLY 99 Ca 0.23 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1p1j n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1j s VAL 100 N -0.58 3.87 0.06 1.61 1.01 -1.26 -2.10 120.40 123.01 1p1j s VAL 100 Ca 0.00 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.39 1p1j s VAL 100 Cb 0.00 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1p1j s VAL 100 CO 0.00 0.09 -0.20 -0.54 0.00 0.00 0.00 175.10 174.45 1p1j s LYS 101 N 1.20 1.92 -0.10 2.72 1.02 -0.01 -4.95 119.74 121.55 1p1j s LYS 101 Ca 0.60 -1.07 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 1p1j s LYS 101 Cb -0.31 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1p1j s LYS 101 CO 0.29 0.52 0.23 -0.65 -0.92 0.00 0.00 175.35 174.81 1p1j s GLN 102 N -1.61 3.71 0.64 1.68 -1.52 -1.26 -1.66 119.66 119.64 1p1j s GLN 102 Ca 0.15 0.04 -0.17 0.00 -1.95 0.00 0.00 55.36 53.43 1p1j s GLN 102 Cb -0.10 -3.24 -0.01 0.00 -0.22 0.00 0.00 33.01 29.44 1p1j s GLN 102 CO 0.06 0.67 1.19 -1.25 -0.25 0.00 0.00 175.29 175.70 1p1j s PRO 103 N -0.79 2.73 0.38 2.91 0.04 -1.26 -5.02 135.00 133.99 1p1j s PRO 103 Ca 0.17 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1p1j s PRO 103 Cb -0.13 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1p1j s PRO 103 CO 0.06 -1.37 0.68 0.54 0.04 0.00 0.00 177.00 176.96 1p1j s ASN 104 N -1.89 0.38 -0.32 6.66 2.20 -1.26 -4.92 114.94 115.78 1p1j s ASN 104 Ca 0.75 -1.30 0.07 0.00 -0.94 0.00 0.00 52.86 51.44 1p1j s ASN 104 Cb -0.28 0.79 0.48 0.00 -2.00 0.00 0.00 41.25 40.24 1p1j s ASN 104 CO 0.37 -1.57 1.42 -1.22 -2.94 0.00 0.00 177.10 173.16 1p1j n TYR 105 N -0.55 1.64 -1.60 1.54 4.02 -1.26 -4.96 117.16 115.99 1p1j n TYR 105 Ca -0.05 -1.93 -0.42 0.00 -0.01 0.00 0.00 57.90 55.49 1p1j n TYR 105 Cb 0.60 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1p1j n TYR 105 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1p1j n PHE 106 N -0.99 1.22 0.00 -0.72 3.01 -1.26 -1.47 117.46 117.25 1p1j n PHE 106 Ca 0.38 0.60 0.00 0.00 1.01 0.00 0.00 57.45 59.44 1p1j n PHE 106 Cb 0.93 -2.24 0.00 0.00 -0.01 0.00 0.00 39.48 38.16 1p1j n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p1j n GLY 107 N 1.18 0.64 3.64 1.37 0.00 -1.26 -4.83 105.19 105.93 1p1j n GLY 107 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1p1j n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p1j s SER 108 N -2.41 6.33 0.20 1.61 0.15 -0.54 -4.52 113.70 114.52 1p1j s SER 108 Ca 0.00 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.05 1p1j s SER 108 Cb 0.00 -2.21 0.12 0.00 -1.71 0.00 0.00 66.02 62.22 1p1j s SER 108 CO 0.00 -0.11 1.47 -0.03 1.20 0.00 0.00 173.24 175.77 1p1j h MET 109 N 7.71 0.28 0.00 5.44 4.05 -1.88 0.19 114.93 130.70 1p1j h MET 109 Ca -0.34 -0.23 -0.17 0.00 -0.28 0.00 0.00 59.70 58.68 1p1j h MET 109 Cb 1.16 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 1p1j h MET 109 CO 0.68 0.88 -0.79 1.79 0.23 0.00 0.00 176.91 179.71 1p1j h THR 110 N 0.19 1.53 0.00 -0.77 1.35 -1.91 -2.95 112.91 110.34 1p1j h THR 110 Ca -0.02 -2.73 -0.31 0.00 -0.55 0.00 0.00 66.41 62.80 1p1j h THR 110 Cb 1.28 2.48 -0.06 0.00 -1.73 0.00 0.00 68.15 70.13 1p1j h THR 110 CO 0.11 0.77 -2.07 0.00 -0.25 0.00 0.00 175.52 174.09 1p1j n GLN 111 N -3.56 0.66 -0.01 4.72 1.13 -1.21 -3.38 117.38 115.74 1p1j n GLN 111 Ca -0.00 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1p1j n GLN 111 Cb 0.77 -1.63 0.01 0.00 0.11 0.00 0.00 30.24 29.49 1p1j n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1p1j s SER 113 N -0.96 4.79 0.30 0.00 1.04 -1.12 -4.98 113.70 112.77 1p1j s SER 113 Ca 0.01 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 55.87 1p1j s SER 113 Cb 0.01 -0.86 -0.06 0.00 0.10 0.00 0.00 66.02 65.22 1p1j s SER 113 CO 0.00 -0.19 -0.09 0.42 0.98 0.00 0.00 173.24 174.36 1p1j s THR 114 N -2.36 1.96 0.02 2.02 -4.23 -1.26 -1.36 115.64 110.42 1p1j s THR 114 Ca 0.36 -2.18 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1p1j s THR 114 Cb -0.04 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 1p1j s THR 114 CO 0.22 -0.28 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.15 1p1j s LEU 115 N -3.51 2.10 -0.07 4.79 1.43 0.75 -4.77 118.68 119.40 1p1j s LEU 115 Ca 0.30 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 1p1j s LEU 115 Cb 0.02 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1p1j s LEU 115 CO 0.14 0.06 1.14 -0.75 0.23 0.00 0.00 176.35 177.16 1p1j s LYS 116 N -0.72 4.37 -0.01 1.70 2.20 -1.26 -1.09 119.74 124.94 1p1j s LYS 116 Ca 0.02 1.58 0.18 0.00 -0.36 0.00 0.00 55.97 57.39 1p1j s LYS 116 Cb -0.06 -3.55 -0.20 0.00 -1.51 0.00 0.00 37.83 32.51 1p1j s LYS 116 CO 0.00 -0.41 0.59 1.28 -0.36 0.00 0.00 175.35 176.46 1p1j n LEU 117 N 5.15 0.50 0.00 5.43 4.77 -0.37 -4.97 117.00 127.50 1p1j n LEU 117 Ca 0.10 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1p1j n LEU 117 Cb 0.47 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1p1j n LEU 117 CO 0.54 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1p1j n GLY 118 N 1.44 -0.53 3.54 -0.72 0.00 -1.24 -5.04 105.19 102.65 1p1j n GLY 118 Ca -0.13 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1p1j n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p1j s ILE 119 N -3.59 2.54 0.11 -0.61 -4.36 -1.26 -0.85 121.20 113.18 1p1j s ILE 119 Ca 0.00 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 1p1j s ILE 119 Cb 0.00 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.19 1p1j s ILE 119 CO 0.00 -0.31 0.15 -0.90 0.24 0.00 0.00 174.94 174.13 1p1j n ASP 120 N -0.76 0.25 0.30 4.36 3.85 0.11 -4.85 116.55 119.81 1p1j n ASP 120 Ca -0.05 -1.20 0.17 0.00 -0.71 0.00 0.00 54.79 53.00 1p1j n ASP 120 Cb 0.61 -0.09 0.93 0.00 -1.35 0.00 0.00 41.12 41.22 1p1j n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1p1j h ALA 121 N -0.22 1.27 -0.00 2.12 0.00 -2.02 -1.08 119.26 119.34 1p1j h ALA 121 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1p1j h ALA 121 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p1j h ALA 121 CO 0.06 0.05 -0.34 0.39 0.00 0.00 0.00 179.25 179.40 1p1j n GLU 122 N -3.52 0.06 -0.44 0.00 -0.58 -1.26 -4.93 120.64 109.98 1p1j n GLU 122 Ca -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1p1j n GLU 122 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1p1j n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p1j n GLY 123 N 1.48 0.76 3.77 0.62 0.00 -0.41 -5.07 105.19 106.34 1p1j n GLY 123 Ca 0.07 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1p1j n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1j s ASN 124 N -2.15 5.50 0.39 1.61 0.01 -1.26 -4.77 114.94 114.27 1p1j s ASN 124 Ca 0.00 -0.00 -0.26 0.00 -0.71 0.00 0.00 52.86 51.89 1p1j s ASN 124 Cb 0.00 -1.48 -0.11 0.00 0.41 0.00 0.00 41.25 40.07 1p1j s ASN 124 CO 0.00 0.19 1.10 0.47 -1.51 0.00 0.00 177.10 177.35 1p1j n ASP 125 N 0.58 1.76 -4.01 -1.22 8.00 -1.26 -0.71 116.55 119.68 1p1j n ASP 125 Ca -0.09 1.10 -0.30 0.00 0.71 0.00 0.00 54.79 56.20 1p1j n ASP 125 Cb 0.52 -1.39 -0.16 0.00 -0.02 0.00 0.00 41.12 40.06 1p1j n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1p1j s VAL 126 N -1.20 1.58 0.10 2.53 1.01 -0.03 -4.78 120.40 119.61 1p1j s VAL 126 Ca 0.61 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1p1j s VAL 126 Cb -0.57 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1p1j s VAL 126 CO 0.58 0.40 0.05 -0.31 0.00 0.00 0.00 175.10 175.83 1p1j s TYR 127 N 1.47 3.10 0.07 5.22 1.51 -1.26 -1.24 117.35 126.21 1p1j s TYR 127 Ca 0.04 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1p1j s TYR 127 Cb -0.13 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1p1j s TYR 127 CO -0.10 0.51 -0.06 0.00 -1.11 0.00 0.00 175.55 174.78 1p1j s ALA 128 N -1.42 0.71 0.40 3.71 0.00 -0.25 -4.92 121.76 119.99 1p1j s ALA 128 Ca 0.28 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 1p1j s ALA 128 Cb -0.12 0.14 -0.11 0.00 0.00 0.00 0.00 23.12 23.04 1p1j s ALA 128 CO 0.21 -0.18 1.27 -2.30 0.00 0.00 0.00 175.76 174.75 1p1j n PRO 129 N 0.58 1.97 -0.32 0.00 -0.02 -1.26 -0.18 135.00 135.76 1p1j n PRO 129 Ca -0.17 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1p1j n PRO 129 Cb 0.58 -2.35 0.29 0.00 -0.02 0.00 0.00 33.50 32.00 1p1j n PRO 129 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1p1j h PHE 130 N 2.21 1.02 -0.35 6.00 3.57 -1.46 -1.52 116.94 126.41 1p1j h PHE 130 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1p1j h PHE 130 Cb 1.29 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1p1j h PHE 130 CO 0.49 0.41 0.00 0.27 -2.23 0.00 0.00 178.31 177.24 1p1j n ASN 131 N -4.59 3.76 -0.00 0.41 6.94 -1.22 -4.08 115.26 116.48 1p1j n ASN 131 Ca 0.18 -2.53 0.06 0.00 -0.02 0.00 0.00 54.58 52.27 1p1j n ASN 131 Cb 0.38 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.13 1p1j n ASN 131 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1p1j n SER 132 N 0.40 0.63 -0.09 0.53 3.41 -0.57 -4.54 113.62 113.38 1p1j n SER 132 Ca 0.16 -0.82 -0.14 0.00 -0.26 0.00 0.00 58.87 57.81 1p1j n SER 132 Cb 0.79 1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.70 1p1j n SER 132 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p1j h LEU 133 N 0.01 0.97 -7.91 1.04 4.07 -1.71 -3.23 115.31 108.54 1p1j h LEU 133 Ca 0.00 -0.51 -0.15 0.00 0.08 0.00 0.00 57.88 57.30 1p1j h LEU 133 Cb 0.31 -0.28 -0.19 0.00 1.08 0.00 0.00 40.66 41.59 1p1j h LEU 133 CO 0.00 1.29 -0.59 -0.76 -1.08 0.00 0.00 178.44 177.30 1p1j s LEU 134 N -8.77 1.94 0.13 1.67 1.43 -1.26 -4.68 118.68 109.14 1p1j s LEU 134 Ca -0.11 -0.47 -0.32 0.00 -1.03 0.00 0.00 54.13 52.20 1p1j s LEU 134 Cb 0.10 0.42 -0.11 0.00 0.03 0.00 0.00 46.19 46.63 1p1j s LEU 134 CO 0.88 -0.41 1.79 -0.81 0.23 0.00 0.00 176.35 178.04 1p1j n PRO 135 N 1.18 2.69 -4.17 1.29 -0.04 -1.26 -4.91 135.00 129.77 1p1j n PRO 135 Ca -0.21 0.97 -0.17 0.00 -0.04 0.00 0.00 63.50 64.05 1p1j n PRO 135 Cb 0.57 -2.84 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 1p1j n PRO 135 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1p1j s MET 136 N 2.31 0.84 0.32 0.54 -1.94 -1.26 -4.98 119.30 115.13 1p1j s MET 136 Ca 0.81 -1.04 -0.28 0.00 -1.71 0.00 0.00 55.69 53.47 1p1j s MET 136 Cb -0.52 -0.72 -0.09 0.00 2.01 0.00 0.00 34.83 35.51 1p1j s MET 136 CO 0.37 0.14 1.13 0.08 -0.01 0.00 0.00 175.02 176.74 1p1j s VAL 137 N -1.73 3.36 0.10 -6.03 1.01 -1.26 -5.02 120.40 110.82 1p1j s VAL 137 Ca 0.01 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.14 1p1j s VAL 137 Cb -0.07 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1p1j s VAL 137 CO 0.02 0.24 0.48 -0.55 0.00 0.00 0.00 175.10 175.29 1p1j s SER 138 N -0.97 6.78 0.60 3.32 0.15 -1.26 -4.86 113.70 117.47 1p1j s SER 138 Ca 0.49 0.98 0.36 0.00 0.70 0.00 0.00 55.95 58.48 1p1j s SER 138 Cb -0.31 -2.25 1.93 0.00 -1.71 0.00 0.00 66.02 63.67 1p1j s SER 138 CO 0.40 0.17 2.23 1.55 1.20 0.00 0.00 173.24 178.79 1p1j h PRO 139 N 3.83 0.00 0.00 5.44 0.13 -1.95 -0.19 132.00 139.26 1p1j h PRO 139 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1p1j h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p1j h PRO 139 CO 0.65 0.03 0.00 -0.91 -0.23 0.00 0.00 178.00 177.54 1p1j h ASN 140 N 0.00 0.00 -0.51 1.44 -0.26 -1.93 -1.53 115.58 112.80 1p1j h ASN 140 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1p1j h ASN 140 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1p1j h ASN 140 CO 0.00 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.84 1p1j n ASP 141 N -3.07 4.82 -4.74 5.81 8.00 -0.08 -4.87 116.55 122.41 1p1j n ASP 141 Ca -0.02 -2.74 -0.40 0.00 0.71 0.00 0.00 54.79 52.34 1p1j n ASP 141 Cb 0.13 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 1p1j n ASP 141 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1p1j s PHE 142 N -2.37 3.93 -0.26 1.24 2.99 -0.58 -1.76 117.98 121.18 1p1j s PHE 142 Ca 0.49 1.87 -0.01 0.00 0.00 0.00 0.00 56.93 59.27 1p1j s PHE 142 Cb 0.35 -2.99 0.03 0.00 0.00 0.00 0.00 43.02 40.41 1p1j s PHE 142 CO 0.17 0.39 -0.06 0.08 -0.00 0.00 0.00 175.22 175.80 1p1j s VAL 143 N -0.83 2.85 -0.11 -0.44 1.01 0.08 -4.90 120.40 118.05 1p1j s VAL 143 Ca 0.42 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1p1j s VAL 143 Cb -0.25 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1p1j s VAL 143 CO 0.31 0.14 -0.05 -0.69 0.00 0.00 0.00 175.10 174.81 1p1j s VAL 144 N 1.30 3.80 0.00 2.92 1.01 -1.26 -0.49 120.40 127.68 1p1j s VAL 144 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1p1j s VAL 144 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1p1j s VAL 144 CO -0.04 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.36 1p1j n SER 145 N 2.92 0.00 0.00 3.32 2.88 0.25 -4.98 113.62 118.00 1p1j n SER 145 Ca -0.18 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 1p1j n SER 145 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1p1j n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p1j n GLY 146 N 0.00 -0.31 3.32 0.46 0.00 -1.26 -1.35 105.19 106.04 1p1j n GLY 146 Ca 0.00 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 1p1j n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p1j s TRP 147 N -2.50 1.72 -0.28 1.61 0.51 -0.25 -0.83 118.94 118.93 1p1j s TRP 147 Ca 0.00 -0.50 -0.24 0.00 -2.12 0.00 0.00 56.10 53.23 1p1j s TRP 147 Cb 0.00 -0.85 0.09 0.00 -0.81 0.00 0.00 33.47 31.90 1p1j s TRP 147 CO 0.00 0.30 0.84 0.34 -0.51 0.00 0.00 176.95 177.92 1p1j s ASP 148 N -2.74 -0.65 0.00 2.95 2.15 -0.60 0.11 116.67 117.88 1p1j s ASP 148 Ca 0.16 1.23 0.15 0.00 0.43 0.00 0.00 52.55 54.52 1p1j s ASP 148 Cb -0.05 1.25 0.77 0.00 -0.30 0.00 0.00 42.92 44.59 1p1j s ASP 148 CO 0.06 -0.21 1.44 2.30 -0.17 0.00 0.00 175.17 178.58 1p1j n ILE 149 N 2.65 0.58 -5.07 4.11 -5.35 -1.26 -3.81 119.36 111.21 1p1j n ILE 149 Ca -0.14 0.14 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 1p1j n ILE 149 Cb 0.56 -0.89 -0.16 0.00 -1.74 0.00 0.00 39.64 37.41 1p1j n ILE 149 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1p1j s ASN 150 N -2.59 3.46 -0.02 7.28 3.84 -1.26 -0.18 114.94 125.47 1p1j s ASN 150 Ca 0.14 -0.44 0.07 0.00 0.21 0.00 0.00 52.86 52.84 1p1j s ASN 150 Cb 0.10 -1.27 0.24 0.00 -0.55 0.00 0.00 41.25 39.77 1p1j s ASN 150 CO 0.24 0.20 1.13 -0.46 -2.79 0.00 0.00 177.10 175.41 1p1j n ASN 151 N 3.25 1.64 -4.77 -4.21 0.23 -1.26 -4.78 115.26 105.37 1p1j n ASN 151 Ca -0.18 -2.07 -0.40 0.00 -0.53 0.00 0.00 54.58 51.39 1p1j n ASN 151 Cb 0.53 -0.26 0.01 0.00 -2.08 0.00 0.00 39.78 37.97 1p1j n ASN 151 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p1j s ALA 152 N -1.65 3.35 0.89 -2.53 0.00 -1.26 -4.70 121.76 115.86 1p1j s ALA 152 Ca 0.17 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 1p1j s ALA 152 Cb 0.10 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.78 1p1j s ALA 152 CO 0.10 -1.05 1.11 0.16 0.00 0.00 0.00 175.76 176.09 1p1j s ASP 153 N -0.46 3.65 0.57 0.00 3.84 -1.26 -4.36 116.67 118.66 1p1j s ASP 153 Ca 0.57 1.16 0.35 0.00 -0.00 0.00 0.00 52.55 54.63 1p1j s ASP 153 Cb -0.43 -1.81 1.64 0.00 -1.38 0.00 0.00 42.92 40.94 1p1j s ASP 153 CO 0.56 -2.48 2.09 -0.07 -0.00 0.00 0.00 175.17 175.27 1p1j h LEU 154 N -1.45 0.00 -0.13 2.11 3.38 -0.75 -0.05 115.31 118.43 1p1j h LEU 154 Ca -0.50 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1p1j h LEU 154 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1p1j h LEU 154 CO 0.60 0.03 -0.29 0.22 0.09 0.00 0.00 178.44 179.09 1p1j h TYR 155 N 0.00 0.54 -0.27 1.13 3.20 -1.81 -0.76 116.97 119.00 1p1j h TYR 155 Ca -0.00 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.62 1p1j h TYR 155 Cb 0.36 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1p1j h TYR 155 CO 0.00 0.91 -0.04 0.93 -1.64 0.00 0.00 178.16 178.32 1p1j h GLU 156 N 0.01 0.41 -0.46 1.82 5.08 -1.76 -1.51 114.58 118.17 1p1j h GLU 156 Ca -0.00 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1p1j h GLU 156 Cb 0.90 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1p1j h GLU 156 CO 0.06 0.47 0.01 0.00 -1.00 0.00 0.00 179.01 178.55 1p1j h ALA 157 N 1.57 0.62 -0.43 3.43 0.00 -0.86 -1.17 119.26 122.41 1p1j h ALA 157 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p1j h ALA 157 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1p1j h ALA 157 CO 0.01 0.41 0.28 0.52 0.00 0.00 0.00 179.25 180.48 1p1j h MET 158 N 0.66 0.57 -0.59 0.00 2.86 -0.49 0.11 114.93 118.05 1p1j h MET 158 Ca 0.13 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1p1j h MET 158 Cb 0.49 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1p1j h MET 158 CO 0.02 0.38 0.35 1.96 1.06 0.00 0.00 176.91 180.68 1p1j h GLN 159 N 0.58 0.66 -0.69 1.72 4.20 -1.11 -2.29 115.11 118.18 1p1j h GLN 159 Ca 0.16 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1p1j h GLN 159 Cb -0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1p1j h GLN 159 CO -0.03 0.44 0.31 -0.09 -0.67 0.00 0.00 178.83 178.78 1p1j h ARG 160 N 0.68 1.00 0.00 1.46 2.43 -0.81 -3.11 114.38 116.03 1p1j h ARG 160 Ca 0.24 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1p1j h ARG 160 Cb 0.06 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1p1j h ARG 160 CO -0.12 0.81 -0.47 0.77 -1.51 0.00 0.00 179.97 179.45 1p1j h SER 161 N 0.96 0.00 -6.00 -3.80 0.02 -0.58 -3.47 113.55 100.68 1p1j h SER 161 Ca 0.23 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.73 1p1j h SER 161 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1p1j h SER 161 CO -0.03 0.47 -0.71 0.00 -1.14 0.00 0.00 176.83 175.42 1p1j n GLN 162 N -3.86 -5.66 -0.11 3.45 6.02 -0.90 -4.70 117.38 111.61 1p1j n GLN 162 Ca -0.01 0.65 -0.24 0.00 -0.01 0.00 0.00 57.00 57.38 1p1j n GLN 162 Cb 0.50 -5.55 -0.11 0.00 1.02 0.00 0.00 30.24 26.10 1p1j n GLN 162 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1p1j n VAL 163 N -4.66 1.56 -3.53 5.09 0.31 -1.26 -4.78 118.33 111.05 1p1j n VAL 163 Ca 0.02 -0.38 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 1p1j n VAL 163 Cb 0.54 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 1p1j n VAL 163 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1p1j s LEU 164 N -7.32 4.23 0.19 7.52 1.43 -1.26 -5.03 118.68 118.44 1p1j s LEU 164 Ca -0.34 0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 53.23 1p1j s LEU 164 Cb 0.10 -3.46 -0.16 0.00 0.03 0.00 0.00 46.19 42.71 1p1j s LEU 164 CO 0.57 0.00 1.05 -0.62 0.23 0.00 0.00 176.35 177.58 1p1j n GLU 165 N 0.08 1.01 -0.20 1.70 -0.58 -1.26 -4.75 120.64 116.64 1p1j n GLU 165 Ca -0.02 0.36 0.01 0.00 -0.42 0.00 0.00 57.16 57.09 1p1j n GLU 165 Cb 0.52 -1.77 0.11 0.00 -0.57 0.00 0.00 31.44 29.73 1p1j n GLU 165 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1p1j h TYR 166 N 2.75 0.22 -0.42 -0.32 3.20 -1.96 -1.55 116.97 118.88 1p1j h TYR 166 Ca -0.41 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.46 1p1j h TYR 166 Cb 1.36 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 1p1j h TYR 166 CO 0.51 -0.02 0.12 0.22 -1.64 0.00 0.00 178.16 177.35 1p1j h ASP 167 N 0.27 0.57 -0.37 -2.11 1.82 -1.89 -1.43 116.42 113.27 1p1j h ASP 167 Ca 0.31 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.80 1p1j h ASP 167 Cb 0.46 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1p1j h ASP 167 CO -0.39 0.56 -0.08 0.25 -1.61 0.00 0.00 179.24 177.96 1p1j h LEU 168 N 0.61 0.71 -0.78 2.28 5.85 -1.59 -1.58 115.31 120.81 1p1j h LEU 168 Ca 0.14 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1p1j h LEU 168 Cb 0.21 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1p1j h LEU 168 CO -0.01 0.91 0.47 1.56 -0.34 0.00 0.00 178.44 181.03 1p1j h GLN 169 N 0.51 0.82 -0.35 1.25 4.20 -0.75 -1.14 115.11 119.65 1p1j h GLN 169 Ca 0.09 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1p1j h GLN 169 Cb 0.59 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1p1j h GLN 169 CO 0.04 0.55 -0.24 1.96 -0.67 0.00 0.00 178.83 180.46 1p1j h GLN 170 N 0.85 0.71 0.00 1.46 1.08 -1.04 -1.16 115.11 117.00 1p1j h GLN 170 Ca 0.35 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1p1j h GLN 170 Cb 0.19 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1p1j h GLN 170 CO -0.18 0.88 -0.11 0.00 -0.95 0.00 0.00 178.83 178.47 1p1j h ARG 171 N 0.62 0.00 -0.02 1.46 3.08 -0.72 -2.85 114.38 115.94 1p1j h ARG 171 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1p1j h ARG 171 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1p1j h ARG 171 CO 0.06 0.11 -0.27 1.28 -1.07 0.00 0.00 179.97 180.09 1p1j n LEU 172 N -3.21 2.35 -0.08 3.04 4.77 -0.48 -4.62 117.00 118.77 1p1j n LEU 172 Ca 0.01 -0.82 -0.07 0.00 -0.03 0.00 0.00 56.01 55.10 1p1j n LEU 172 Cb 0.41 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1p1j n LEU 172 CO 0.31 0.41 0.73 0.50 -1.33 0.00 0.00 177.39 178.02 1p1j h LYS 173 N 3.28 -0.14 -0.40 3.23 3.64 -0.96 0.21 116.57 125.43 1p1j h LYS 173 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1p1j h LYS 173 Cb 0.83 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1p1j h LYS 173 CO 0.00 -0.09 0.10 0.00 -2.27 0.00 0.00 179.45 177.19 1p1j h ALA 174 N 1.05 0.44 -0.14 5.00 0.00 -1.82 -0.86 119.26 122.93 1p1j h ALA 174 Ca 0.16 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1p1j h ALA 174 Cb 0.39 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1p1j h ALA 174 CO -0.40 -0.30 -0.80 0.87 0.00 0.00 0.00 179.25 178.63 1p1j h LYS 175 N 0.24 0.79 0.00 0.00 1.57 -1.82 -3.29 116.57 114.06 1p1j h LYS 175 Ca 0.19 -0.66 -0.11 0.00 -1.87 0.00 0.00 60.65 58.21 1p1j h LYS 175 Cb 0.20 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1p1j h LYS 175 CO -0.22 1.26 -0.51 0.52 -0.57 0.00 0.00 179.45 179.93 1p1j h MET 176 N 0.53 0.00 0.00 3.15 2.86 -0.83 -2.93 114.93 117.71 1p1j h MET 176 Ca -0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1p1j h MET 176 Cb 1.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.09 1p1j h MET 176 CO 0.16 0.51 -0.07 0.77 1.06 0.00 0.00 176.91 179.34 1p1j h SER 177 N 0.00 0.00 1.62 1.22 0.02 -1.22 -2.27 113.55 112.92 1p1j h SER 177 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1p1j h SER 177 Cb 0.96 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1p1j h SER 177 CO 0.07 0.07 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.74 1p1j h LEU 178 N 0.00 0.00 -9.09 5.07 3.38 -1.62 -3.44 115.31 109.60 1p1j h LEU 178 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 1p1j h LEU 178 Cb 0.28 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 1p1j h LEU 178 CO 0.01 0.02 -0.12 -0.69 0.09 0.00 0.00 178.44 177.75 1p1j s VAL 179 N -3.37 5.15 -0.04 1.22 1.01 -0.87 -5.02 120.40 118.47 1p1j s VAL 179 Ca 0.05 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1p1j s VAL 179 Cb 0.07 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1p1j s VAL 179 CO 0.63 0.20 -0.10 -0.75 0.00 0.00 0.00 175.10 175.07 1p1j s LYS 180 N 1.62 1.30 0.38 2.72 2.20 -1.26 -0.62 119.74 126.08 1p1j s LYS 180 Ca 0.21 -0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 55.20 1p1j s LYS 180 Cb -0.15 -1.15 -0.09 0.00 -1.51 0.00 0.00 37.83 34.93 1p1j s LYS 180 CO 0.09 0.07 1.26 -2.14 -0.36 0.00 0.00 175.35 174.27 1p1j s PRO 181 N 0.45 4.14 0.58 4.03 0.02 -1.26 -4.88 135.00 138.08 1p1j s PRO 181 Ca -0.09 2.07 -0.17 0.00 0.02 0.00 0.00 61.00 62.84 1p1j s PRO 181 Cb -0.12 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1p1j s PRO 181 CO 0.02 -0.32 1.07 -0.51 -0.33 0.00 0.00 177.00 176.93 1p1j s LEU 182 N -2.21 3.57 0.65 -5.54 1.43 -0.01 -4.72 118.68 111.84 1p1j s LEU 182 Ca 0.54 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 1p1j s LEU 182 Cb -0.36 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.30 1p1j s LEU 182 CO 0.47 -1.20 1.17 -2.16 0.23 0.00 0.00 176.35 174.85 1p1j s PRO 183 N -3.83 2.71 0.00 1.29 0.04 -1.26 -1.56 135.00 132.39 1p1j s PRO 183 Ca 0.66 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1p1j s PRO 183 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1p1j s PRO 183 CO 0.34 -1.37 0.00 0.45 0.04 0.00 0.00 177.00 176.46 1p1j n SER 184 N -2.15 1.50 -4.55 6.66 2.88 0.20 -4.66 113.62 113.48 1p1j n SER 184 Ca 0.12 -0.99 -0.40 0.00 -1.33 0.00 0.00 58.87 56.28 1p1j n SER 184 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 1p1j n SER 184 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1p1j s ILE 185 N -1.23 5.25 -0.32 2.46 1.01 -1.26 -0.51 121.20 126.59 1p1j s ILE 185 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1p1j s ILE 185 Cb 0.00 -3.70 0.07 0.00 0.01 0.00 0.00 42.46 38.84 1p1j s ILE 185 CO 0.00 0.04 0.04 -0.47 0.00 0.00 0.00 174.94 174.54 1p1j s TYR 186 N 1.84 3.43 -0.52 3.97 5.04 -1.26 -4.85 117.35 125.00 1p1j s TYR 186 Ca 0.09 -2.28 -0.08 0.00 -2.44 0.00 0.00 57.07 52.36 1p1j s TYR 186 Cb -0.17 -2.47 0.13 0.00 0.35 0.00 0.00 41.96 39.80 1p1j s TYR 186 CO 0.11 -0.88 0.39 0.71 -1.34 0.00 0.00 175.55 174.54 1p1j s TYR 187 N 1.14 3.47 0.30 4.97 4.12 -1.26 -4.73 117.35 125.36 1p1j s TYR 187 Ca 0.00 -2.05 0.07 0.00 0.02 0.00 0.00 57.07 55.11 1p1j s TYR 187 Cb -0.20 -3.47 0.87 0.00 -1.52 0.00 0.00 41.96 37.64 1p1j s TYR 187 CO -0.04 -0.97 1.43 -2.30 0.02 0.00 0.00 175.55 173.69 1p1j n PRO 188 N 4.58 -0.07 0.00 -1.71 -0.02 -1.26 -1.62 135.00 134.91 1p1j n PRO 188 Ca -0.03 1.32 0.07 0.00 -2.02 0.00 0.00 63.50 62.85 1p1j n PRO 188 Cb 0.41 -2.19 0.35 0.00 -0.02 0.00 0.00 33.50 32.05 1p1j n PRO 188 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1p1j n ASP 189 N -5.24 0.00 0.05 2.55 -0.08 -1.26 -3.17 116.55 109.41 1p1j n ASP 189 Ca 0.26 0.31 0.12 0.00 -1.51 0.00 0.00 54.79 53.96 1p1j n ASP 189 Cb 0.86 -0.41 0.08 0.00 2.34 0.00 0.00 41.12 43.98 1p1j n ASP 189 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1p1j n PHE 190 N -1.41 0.51 -4.47 -0.67 3.01 -0.64 -4.89 117.46 108.90 1p1j n PHE 190 Ca 0.05 0.15 -0.23 0.00 1.01 0.00 0.00 57.45 58.43 1p1j n PHE 190 Cb 0.15 -0.63 -0.09 0.00 -0.01 0.00 0.00 39.48 38.91 1p1j n PHE 190 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1p1j s ILE 191 N -3.22 0.84 0.30 4.37 -4.36 -1.19 -1.41 121.20 116.54 1p1j s ILE 191 Ca 0.04 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 1p1j s ILE 191 Cb 0.13 -2.56 -0.13 0.00 1.25 0.00 0.00 42.46 41.15 1p1j s ILE 191 CO 0.77 0.00 1.25 0.00 0.24 0.00 0.00 174.94 177.19 1p1j n ALA 192 N -0.77 0.86 0.29 2.27 0.00 -1.26 -4.86 120.51 117.03 1p1j n ALA 192 Ca -0.04 0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.92 1p1j n ALA 192 Cb 0.66 -2.20 0.85 0.00 0.00 0.00 0.00 19.45 18.76 1p1j n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p1j h ALA 193 N 2.77 1.52 0.00 0.00 0.00 -1.94 -1.95 119.26 119.66 1p1j h ALA 193 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1p1j h ALA 193 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1p1j h ALA 193 CO 0.65 0.04 0.00 0.27 0.00 0.00 0.00 179.25 180.21 1p1j n ASN 194 N -3.87 0.00 -0.27 0.00 2.04 -1.26 -2.42 115.26 109.47 1p1j n ASN 194 Ca -0.03 -0.50 0.13 0.00 -0.44 0.00 0.00 54.58 53.73 1p1j n ASN 194 Cb 0.12 -0.03 0.33 0.00 -2.53 0.00 0.00 39.78 37.67 1p1j n ASN 194 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1p1j n GLN 195 N -1.03 0.87 -0.09 -3.83 1.13 -0.73 -4.43 117.38 109.26 1p1j n GLN 195 Ca 0.13 -0.54 -0.06 0.00 -1.94 0.00 0.00 57.00 54.59 1p1j n GLN 195 Cb 0.07 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.94 1p1j n GLN 195 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1p1j h ASP 196 N 1.33 -0.56 0.30 1.08 1.82 -1.68 -1.43 116.42 117.27 1p1j h ASP 196 Ca 0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1p1j h ASP 196 Cb 0.53 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1p1j h ASP 196 CO 0.00 -0.20 0.00 1.05 -1.61 0.00 0.00 179.24 178.48 1p1j h GLU 197 N -0.11 0.00 0.00 0.28 4.11 -1.86 -2.21 114.58 114.79 1p1j h GLU 197 Ca 0.17 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.47 1p1j h GLU 197 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1p1j h GLU 197 CO -0.41 0.00 -0.79 -0.09 0.07 0.00 0.00 179.01 177.79 1p1j h ARG 198 N 0.00 0.00 -6.65 1.06 2.43 -1.55 -3.44 114.38 106.23 1p1j h ARG 198 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1p1j h ARG 198 Cb 0.15 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 1p1j h ARG 198 CO 0.00 0.47 0.96 0.00 -1.51 0.00 0.00 179.97 179.89 1p1j s ALA 199 N -2.94 3.08 0.00 2.80 0.00 -0.83 -4.07 121.76 119.80 1p1j s ALA 199 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1p1j s ALA 199 Cb 0.08 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1p1j s ALA 199 CO 0.77 -2.45 0.69 0.27 0.00 0.00 0.00 175.76 175.04 1p1j n ASN 200 N 8.17 0.00 -3.21 0.00 6.94 0.75 -4.93 115.26 122.98 1p1j n ASN 200 Ca 0.11 -1.44 -0.24 0.00 -0.02 0.00 0.00 54.58 52.99 1p1j n ASN 200 Cb 0.49 -0.09 -0.07 0.00 -2.36 0.00 0.00 39.78 37.75 1p1j n ASN 200 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1p1j n ASN 201 N 0.00 0.64 -4.31 0.53 4.05 0.35 -4.68 115.26 111.84 1p1j n ASN 201 Ca 0.00 -2.81 -0.30 0.00 0.45 0.00 0.00 54.58 51.92 1p1j n ASN 201 Cb 0.59 -0.64 -0.15 0.00 1.23 0.00 0.00 39.78 40.80 1p1j n ASN 201 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p1j n ILE 203 N 2.18 0.84 -2.56 0.00 -5.35 0.33 -4.63 119.36 110.16 1p1j n ILE 203 Ca -0.16 -0.61 -0.43 0.00 -0.27 0.00 0.00 62.75 61.27 1p1j n ILE 203 Cb 0.52 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 1p1j n ILE 203 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1p1j n ASN 204 N -2.74 5.06 -4.46 7.28 6.94 -1.26 -4.97 115.26 121.11 1p1j n ASN 204 Ca -0.05 -3.03 -0.29 0.00 -0.02 0.00 0.00 54.58 51.20 1p1j n ASN 204 Cb 0.69 -1.55 -0.12 0.00 -2.36 0.00 0.00 39.78 36.45 1p1j n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1p1j s LEU 205 N 1.00 2.60 0.00 -4.53 1.43 -1.26 -1.03 118.68 116.88 1p1j s LEU 205 Ca 0.42 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1p1j s LEU 205 Cb 0.04 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.89 1p1j s LEU 205 CO 0.00 0.16 0.31 -0.90 0.23 0.00 0.00 176.35 176.15 1p1j n ASP 206 N 0.65 0.45 -0.23 2.29 5.68 0.54 -4.86 116.55 121.08 1p1j n ASP 206 Ca -0.15 -1.37 0.07 0.00 -0.50 0.00 0.00 54.79 52.84 1p1j n ASP 206 Cb 0.54 -0.20 0.33 0.00 -1.14 0.00 0.00 41.12 40.65 1p1j n ASP 206 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1p1j h GLU 207 N 0.00 0.78 -0.00 0.11 4.22 -2.01 0.28 114.58 117.95 1p1j h GLU 207 Ca -0.10 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1p1j h GLU 207 Cb 0.39 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1p1j h GLU 207 CO 0.11 0.51 -0.02 1.63 -2.18 0.00 0.00 179.01 179.07 1p1j n LYS 208 N -4.50 0.86 -0.93 1.92 4.01 -1.26 -4.89 118.16 113.37 1p1j n LYS 208 Ca 0.13 -0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1p1j n LYS 208 Cb 0.28 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1p1j n LYS 208 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1p1j n GLY 209 N 1.14 0.44 3.90 0.72 0.00 0.99 -5.05 105.19 107.33 1p1j n GLY 209 Ca 0.19 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1p1j n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1j s ASN 210 N -2.78 6.48 0.31 1.61 0.02 -1.26 -4.68 114.94 114.63 1p1j s ASN 210 Ca 0.00 0.54 -0.30 0.00 -1.02 0.00 0.00 52.86 52.08 1p1j s ASN 210 Cb 0.00 -2.07 -0.12 0.00 0.02 0.00 0.00 41.25 39.08 1p1j s ASN 210 CO 0.00 0.10 1.48 0.52 0.02 0.00 0.00 177.10 179.22 1p1j n VAL 211 N 0.27 1.36 -3.93 1.60 0.31 -1.26 -0.34 118.33 116.35 1p1j n VAL 211 Ca -0.04 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.85 1p1j n VAL 211 Cb 0.52 -1.79 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 1p1j n VAL 211 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p1j s THR 212 N -0.42 0.10 -2.37 2.52 -1.32 -0.20 -4.81 115.64 109.15 1p1j s THR 212 Ca 0.61 -0.82 0.22 0.00 -1.21 0.00 0.00 61.69 60.49 1p1j s THR 212 Cb -0.54 -0.37 0.45 0.00 -1.51 0.00 0.00 72.50 70.53 1p1j s THR 212 CO 0.54 -0.45 1.44 0.35 -2.21 0.00 0.00 174.62 174.29 1p1j n THR 213 N 1.49 0.49 -3.26 5.08 -2.24 -1.26 -4.72 114.28 109.86 1p1j n THR 213 Ca -0.23 -0.67 -0.34 0.00 -2.27 0.00 0.00 64.05 60.53 1p1j n THR 213 Cb 0.55 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1p1j n THR 213 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p1j s ARG 214 N -1.51 4.02 0.00 -0.78 0.52 -1.26 -4.29 118.95 115.65 1p1j s ARG 214 Ca 0.38 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 1p1j s ARG 214 Cb 0.21 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1p1j s ARG 214 CO 0.30 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.39 1p1j n GLY 215 N 0.38 0.72 0.33 -3.53 0.00 -1.26 -4.97 105.19 96.86 1p1j n GLY 215 Ca -0.02 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.39 1p1j n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p1j h LYS 216 N 0.00 0.29 -0.35 1.61 1.57 -1.76 -0.79 116.57 117.15 1p1j h LYS 216 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1p1j h LYS 216 Cb 0.91 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1p1j h LYS 216 CO 0.00 0.19 -0.19 2.35 -0.57 0.00 0.00 179.45 181.23 1p1j h TRP 217 N 0.30 0.72 -0.06 -1.35 2.91 -1.86 -0.93 115.95 115.68 1p1j h TRP 217 Ca 0.19 -0.15 -0.10 0.00 1.13 0.00 0.00 58.89 59.96 1p1j h TRP 217 Cb 0.36 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1p1j h TRP 217 CO -0.00 0.79 -0.41 1.79 -1.03 0.00 0.00 178.44 179.58 1p1j h THR 218 N 0.58 1.31 -0.43 2.65 1.35 -1.54 -1.35 112.91 115.48 1p1j h THR 218 Ca 0.09 -1.49 -0.08 0.00 -0.55 0.00 0.00 66.41 64.38 1p1j h THR 218 Cb 0.65 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1p1j h THR 218 CO 0.05 0.44 -0.03 0.45 -0.25 0.00 0.00 175.52 176.17 1p1j h HIS 219 N 0.11 0.87 -0.59 4.73 3.86 -0.74 -2.11 115.15 121.29 1p1j h HIS 219 Ca 0.01 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1p1j h HIS 219 Cb 0.78 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 1p1j h HIS 219 CO 0.01 0.86 0.37 1.25 0.86 0.00 0.00 177.93 181.29 1p1j h LEU 220 N 0.62 0.69 -1.29 2.43 6.46 -0.76 -2.15 115.31 121.31 1p1j h LEU 220 Ca 0.12 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1p1j h LEU 220 Cb 0.54 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1p1j h LEU 220 CO 0.03 0.52 0.02 1.56 -0.62 0.00 0.00 178.44 179.95 1p1j h GLN 221 N 0.79 0.50 -0.47 1.25 1.08 -1.08 -2.05 115.11 115.13 1p1j h GLN 221 Ca 0.21 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.20 1p1j h GLN 221 Cb -0.06 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1p1j h GLN 221 CO -0.04 0.51 -0.18 -0.09 -0.95 0.00 0.00 178.83 178.08 1p1j h ARG 222 N 0.49 0.95 -0.72 1.46 9.65 -0.90 -1.21 114.38 124.10 1p1j h ARG 222 Ca 0.11 -0.39 -0.04 0.00 -1.10 0.00 0.00 59.98 58.55 1p1j h ARG 222 Cb 0.28 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 1p1j h ARG 222 CO 0.01 1.06 0.28 0.82 2.80 0.00 0.00 179.97 184.93 1p1j h ILE 223 N 0.80 1.25 -0.88 1.20 1.08 -0.99 0.14 117.51 120.11 1p1j h ILE 223 Ca 0.11 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 1p1j h ILE 223 Cb 0.75 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 1p1j h ILE 223 CO 0.06 0.32 0.49 0.03 -0.69 0.00 0.00 178.15 178.36 1p1j h ARG 224 N 1.03 1.23 -0.61 2.37 3.08 -1.17 -1.30 114.38 119.01 1p1j h ARG 224 Ca 0.24 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1p1j h ARG 224 Cb 0.22 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1p1j h ARG 224 CO -0.02 0.89 0.26 -0.09 -1.07 0.00 0.00 179.97 179.94 1p1j h ARG 225 N 1.23 0.91 -0.86 0.04 9.65 -0.44 -1.13 114.38 123.78 1p1j h ARG 225 Ca 0.31 -0.16 0.02 0.00 -1.10 0.00 0.00 59.98 59.06 1p1j h ARG 225 Cb 0.01 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 1p1j h ARG 225 CO -0.05 0.77 0.56 -0.44 2.80 0.00 0.00 179.97 183.61 1p1j h ASP 226 N 0.85 0.95 -0.10 -3.80 3.32 0.01 0.12 116.42 117.77 1p1j h ASP 226 Ca 0.21 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1p1j h ASP 226 Cb 0.19 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1p1j h ASP 226 CO -0.02 0.67 0.00 0.40 -1.72 0.00 0.00 179.24 178.57 1p1j h ILE 227 N 1.11 1.25 -0.50 0.35 2.04 -0.94 -1.19 117.51 119.64 1p1j h ILE 227 Ca 0.33 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1p1j h ILE 227 Cb -0.05 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1p1j h ILE 227 CO -0.10 0.22 0.28 1.56 0.00 0.00 0.00 178.15 180.11 1p1j h GLN 228 N -0.09 0.53 -0.58 2.37 4.20 -0.83 -2.16 115.11 118.55 1p1j h GLN 228 Ca 0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1p1j h GLN 228 Cb 0.35 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1p1j h GLN 228 CO 0.00 0.35 0.26 -0.97 -0.67 0.00 0.00 178.83 177.80 1p1j h ASN 229 N 0.54 0.78 -0.53 1.46 -1.24 -0.70 -1.81 115.58 114.07 1p1j h ASN 229 Ca 0.21 -0.15 0.04 0.00 0.71 0.00 0.00 56.30 57.11 1p1j h ASN 229 Cb 0.07 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 38.88 1p1j h ASN 229 CO -0.12 0.71 0.28 0.15 -1.29 0.00 0.00 177.43 177.16 1p1j h PHE 230 N 0.79 0.52 0.13 0.67 3.57 -0.85 0.23 116.94 122.01 1p1j h PHE 230 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1p1j h PHE 230 Cb 0.15 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1p1j h PHE 230 CO 0.00 0.27 -0.06 0.87 -2.23 0.00 0.00 178.31 177.15 1p1j h LYS 231 N 0.55 -0.17 -0.13 1.11 1.57 -1.16 -2.61 116.57 115.74 1p1j h LYS 231 Ca 0.23 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1p1j h LYS 231 Cb 0.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1p1j h LYS 231 CO -0.15 -0.08 0.07 1.49 -0.57 0.00 0.00 179.45 180.22 1p1j h GLU 232 N -0.22 0.18 -0.79 3.15 4.81 -0.97 0.67 114.58 121.40 1p1j h GLU 232 Ca -0.02 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1p1j h GLU 232 Cb 0.17 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 1p1j h GLU 232 CO 0.03 0.19 0.42 0.93 -0.73 0.00 0.00 179.01 179.86 1p1j h GLU 233 N 0.11 0.66 -0.62 1.92 5.08 -0.54 -2.54 114.58 118.65 1p1j h GLU 233 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p1j h GLU 233 Cb 0.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1p1j h GLU 233 CO -0.01 0.44 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 1p1j n ASN 234 N -4.82 3.79 -3.86 1.42 4.13 -0.99 -4.96 115.26 109.98 1p1j n ASN 234 Ca 0.14 -2.00 -0.25 0.00 1.68 0.00 0.00 54.58 54.15 1p1j n ASN 234 Cb 0.32 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1p1j n ASN 234 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p1j n ALA 235 N 1.61 -1.92 -2.71 5.41 0.00 0.06 -4.96 120.51 118.01 1p1j n ALA 235 Ca 0.23 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1p1j n ALA 235 Cb 0.62 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 1p1j n ALA 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p1j s LEU 236 N -6.89 3.64 -0.01 0.00 1.43 -0.23 -5.01 118.68 111.61 1p1j s LEU 236 Ca 0.09 0.10 0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1p1j s LEU 236 Cb -0.05 -1.99 -0.21 0.00 0.03 0.00 0.00 46.19 43.98 1p1j s LEU 236 CO 0.85 0.32 0.38 -0.90 0.23 0.00 0.00 176.35 177.24 1p1j n ASP 237 N 1.67 1.45 -4.10 2.29 3.85 -1.26 -4.64 116.55 115.81 1p1j n ASP 237 Ca -0.16 -0.20 -0.27 0.00 -0.71 0.00 0.00 54.79 53.44 1p1j n ASP 237 Cb 0.53 1.50 -0.17 0.00 -1.35 0.00 0.00 41.12 41.63 1p1j n ASP 237 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1p1j s LYS 238 N -2.83 2.15 0.02 0.11 1.02 -1.26 -5.10 119.74 113.85 1p1j s LYS 238 Ca -0.03 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1p1j s LYS 238 Cb 0.10 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.67 1p1j s LYS 238 CO 0.59 0.10 -0.05 0.08 -0.92 0.00 0.00 175.35 175.16 1p1j s VAL 239 N 0.48 0.33 -0.02 3.17 1.01 -1.26 -0.90 120.40 123.21 1p1j s VAL 239 Ca -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1p1j s VAL 239 Cb -0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 1p1j s VAL 239 CO 0.05 -0.31 -0.10 -0.63 0.00 0.00 0.00 175.10 174.11 1p1j s ILE 240 N -1.09 0.83 -0.10 2.22 1.01 -0.26 -4.13 121.20 119.68 1p1j s ILE 240 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1p1j s ILE 240 Cb -0.08 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 1p1j s ILE 240 CO -0.00 0.24 -0.07 -0.69 0.00 0.00 0.00 174.94 174.42 1p1j s VAL 241 N -0.08 3.61 -0.03 2.92 1.01 -0.48 -1.31 120.40 126.05 1p1j s VAL 241 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1p1j s VAL 241 Cb -0.06 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1p1j s VAL 241 CO -0.00 0.55 -0.03 -0.22 0.00 0.00 0.00 175.10 175.40 1p1j s LEU 242 N -0.27 1.40 -0.34 3.92 0.20 -0.67 -1.35 118.68 121.57 1p1j s LEU 242 Ca 0.03 -0.09 -0.25 0.00 0.69 0.00 0.00 54.13 54.51 1p1j s LEU 242 Cb -0.13 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.30 1p1j s LEU 242 CO 0.03 -0.05 0.88 0.86 -0.29 0.00 0.00 176.35 177.78 1p1j s TRP 243 N 0.76 3.13 -0.29 5.38 -0.11 0.56 -1.24 118.94 127.14 1p1j s TRP 243 Ca -0.09 0.79 0.18 0.00 1.22 0.00 0.00 56.10 58.20 1p1j s TRP 243 Cb -0.12 -3.49 0.49 0.00 -1.50 0.00 0.00 33.47 28.85 1p1j s TRP 243 CO -0.00 -0.73 1.09 -2.37 -4.62 0.00 0.00 176.95 170.32 1p1j n THR 244 N 5.81 1.49 -3.64 5.86 5.66 0.10 -1.51 114.28 128.05 1p1j n THR 244 Ca 0.06 -3.29 -0.24 0.00 -3.05 0.00 0.00 64.05 57.54 1p1j n THR 244 Cb 0.48 0.61 -0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1p1j n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p1j s ALA 245 N -3.62 4.38 0.23 1.79 0.00 -0.71 -4.39 121.76 119.44 1p1j s ALA 245 Ca 0.32 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1p1j s ALA 245 Cb 0.37 -0.94 -0.16 0.00 0.00 0.00 0.00 23.12 22.39 1p1j s ALA 245 CO -0.02 -0.47 0.79 0.09 0.00 0.00 0.00 175.76 176.16 1p1j n ASN 246 N -1.79 0.06 -4.73 0.00 4.13 -1.26 -4.86 115.26 106.81 1p1j n ASN 246 Ca 0.03 1.15 -0.42 0.00 1.68 0.00 0.00 54.58 57.03 1p1j n ASN 246 Cb 0.63 -1.11 -0.03 0.00 -1.54 0.00 0.00 39.78 37.73 1p1j n ASN 246 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1p1j s THR 247 N -0.94 2.66 0.35 3.41 2.01 -1.26 -5.00 115.64 116.88 1p1j s THR 247 Ca 0.63 0.50 0.04 0.00 0.31 0.00 0.00 61.69 63.17 1p1j s THR 247 Cb -0.84 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1p1j s THR 247 CO 0.57 0.05 0.51 -1.61 -0.69 0.00 0.00 174.62 173.46 1p1j s GLU 248 N 0.68 3.18 0.74 4.92 2.02 -1.26 -4.75 118.70 124.23 1p1j s GLU 248 Ca 0.67 -0.79 -0.11 0.00 0.02 0.00 0.00 54.97 54.75 1p1j s GLU 248 Cb -0.43 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.08 1p1j s GLU 248 CO 0.35 0.04 1.10 -0.98 0.02 0.00 0.00 175.26 175.78 1p1j s ARG 249 N -4.26 2.60 0.73 1.61 1.70 -0.50 -4.32 118.95 116.51 1p1j s ARG 249 Ca 0.44 0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 56.09 1p1j s ARG 249 Cb -0.10 -1.99 0.03 0.00 -0.57 0.00 0.00 34.95 32.32 1p1j s ARG 249 CO 0.33 -1.23 1.07 0.71 -1.08 0.00 0.00 175.30 175.10 1p1j s TYR 250 N -3.31 2.97 0.23 5.89 4.12 -1.26 -4.75 117.35 121.25 1p1j s TYR 250 Ca 0.59 1.40 0.09 0.00 0.02 0.00 0.00 57.07 59.17 1p1j s TYR 250 Cb -0.12 -2.95 -0.04 0.00 -1.52 0.00 0.00 41.96 37.33 1p1j s TYR 250 CO 0.52 -1.43 -0.02 0.14 0.02 0.00 0.00 175.55 174.79 1p1j s VAL 251 N -3.03 3.47 0.19 0.71 -7.23 -1.26 -5.03 120.40 108.22 1p1j s VAL 251 Ca 0.59 -1.77 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 1p1j s VAL 251 Cb -0.15 -2.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.90 1p1j s VAL 251 CO 0.55 -0.28 0.69 -0.70 -0.31 0.00 0.00 175.10 175.05 1p1j s GLU 252 N -3.40 4.25 -0.35 4.82 2.12 -1.26 -4.98 118.70 119.90 1p1j s GLU 252 Ca 0.30 0.84 -0.14 0.00 0.36 0.00 0.00 54.97 56.33 1p1j s GLU 252 Cb -0.07 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 1p1j s GLU 252 CO 0.19 0.46 0.31 0.08 -0.54 0.00 0.00 175.26 175.76 1p1j s VAL 253 N -1.42 5.22 0.02 3.70 1.01 -1.26 -4.93 120.40 122.75 1p1j s VAL 253 Ca 0.40 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1p1j s VAL 253 Cb -0.18 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1p1j s VAL 253 CO 0.21 -0.09 -0.24 -0.44 0.00 0.00 0.00 175.10 174.54 1p1j s SER 254 N 1.73 2.84 0.35 3.32 0.01 -1.26 -5.03 113.70 115.66 1p1j s SER 254 Ca 0.09 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.55 1p1j s SER 254 Cb -0.17 -0.27 -0.11 0.00 0.21 0.00 0.00 66.02 65.68 1p1j s SER 254 CO 0.11 0.24 1.45 -2.84 0.41 0.00 0.00 173.24 172.61 1p1j s PRO 255 N -0.98 4.18 0.00 12.44 0.02 -1.26 -1.79 135.00 147.60 1p1j s PRO 255 Ca 0.10 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1p1j s PRO 255 Cb -0.09 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1p1j s PRO 255 CO 0.01 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 1p1j n GLY 256 N 0.76 2.16 0.52 0.52 0.00 -1.26 -4.83 105.19 103.05 1p1j n GLY 256 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1p1j n GLY 256 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p1j n VAL 257 N -2.00 0.52 -2.08 1.61 0.31 -0.74 -4.86 118.33 111.09 1p1j n VAL 257 Ca 0.00 0.26 0.05 0.00 -0.01 0.00 0.00 64.34 64.64 1p1j n VAL 257 Cb 0.00 -1.53 0.09 0.00 -0.91 0.00 0.00 33.84 31.49 1p1j n VAL 257 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1p1j n ASN 258 N -3.07 1.25 0.06 4.52 2.04 -1.13 -2.89 115.26 116.05 1p1j n ASN 258 Ca -0.03 -2.74 0.03 0.00 -0.44 0.00 0.00 54.58 51.40 1p1j n ASN 258 Cb 0.10 -0.38 -0.05 0.00 -2.53 0.00 0.00 39.78 36.92 1p1j n ASN 258 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 1p1j h ASP 259 N 0.89 0.00 -4.12 0.53 -0.00 -1.91 -1.19 116.42 110.62 1p1j h ASP 259 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 57.03 56.59 1p1j h ASP 259 Cb 1.50 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 40.68 1p1j h ASP 259 CO 0.05 0.43 -0.72 0.42 -0.00 0.00 0.00 179.24 179.42 1p1j s THR 260 N -3.03 1.08 0.19 1.15 -4.23 -1.26 -3.09 115.64 106.45 1p1j s THR 260 Ca -0.02 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 1p1j s THR 260 Cb 0.09 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 72.32 1p1j s THR 260 CO 0.80 -0.71 1.73 -0.03 -0.54 0.00 0.00 174.62 175.86 1p1j h MET 261 N 2.98 0.29 -0.21 3.99 1.85 -1.84 0.14 114.93 122.12 1p1j h MET 261 Ca -0.37 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 58.67 1p1j h MET 261 Cb 1.19 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.15 1p1j h MET 261 CO 0.61 0.19 -0.02 0.93 -0.40 0.00 0.00 176.91 178.22 1p1j h GLU 262 N 0.30 0.38 -0.41 0.39 3.07 -1.97 -2.75 114.58 113.59 1p1j h GLU 262 Ca 0.27 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1p1j h GLU 262 Cb 0.34 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1p1j h GLU 262 CO -0.31 0.60 -0.02 -0.91 -1.40 0.00 0.00 179.01 176.96 1p1j h ASN 263 N 0.13 0.64 0.17 1.42 2.35 -1.76 -2.36 115.58 116.17 1p1j h ASN 263 Ca 0.06 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1p1j h ASN 263 Cb 0.44 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1p1j h ASN 263 CO 0.01 0.73 -0.08 0.25 -1.65 0.00 0.00 177.43 176.69 1p1j h LEU 264 N 0.63 -0.19 -1.03 1.61 5.85 -0.59 0.13 115.31 121.72 1p1j h LEU 264 Ca 0.12 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1p1j h LEU 264 Cb 0.43 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1p1j h LEU 264 CO 0.02 -0.14 0.42 -0.07 -0.34 0.00 0.00 178.44 178.33 1p1j h LEU 265 N -0.23 0.99 -0.77 2.25 3.38 -1.40 -1.61 115.31 117.92 1p1j h LEU 265 Ca -0.02 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1p1j h LEU 265 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1p1j h LEU 265 CO 0.04 0.80 -0.29 -0.61 0.09 0.00 0.00 178.44 178.47 1p1j h GLN 266 N 1.11 0.61 -0.45 1.13 5.75 -1.13 -2.16 115.11 119.96 1p1j h GLN 266 Ca 0.28 -0.26 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1p1j h GLN 266 Cb 0.04 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1p1j h GLN 266 CO -0.04 0.83 -0.00 0.77 -2.65 0.00 0.00 178.83 177.73 1p1j h SER 267 N 0.52 0.70 -0.22 -0.69 0.02 -0.08 -0.32 113.55 113.49 1p1j h SER 267 Ca 0.07 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1p1j h SER 267 Cb 0.76 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1p1j h SER 267 CO 0.06 0.77 0.04 0.40 -1.14 0.00 0.00 176.83 176.96 1p1j h ILE 268 N 0.69 1.22 -0.01 3.27 2.04 -1.04 -0.58 117.51 123.10 1p1j h ILE 268 Ca 0.14 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1p1j h ILE 268 Cb 0.43 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1p1j h ILE 268 CO 0.02 0.23 -0.04 0.11 0.00 0.00 0.00 178.15 178.47 1p1j h LYS 269 N 0.17 0.01 -0.14 2.37 1.57 -0.98 -0.70 116.57 118.87 1p1j h LYS 269 Ca 0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p1j h LYS 269 Cb 0.32 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1p1j h LYS 269 CO 0.00 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.03 1p1j n ASN 270 N -4.49 1.32 -2.85 0.86 5.03 -0.17 -4.76 115.26 110.20 1p1j n ASN 270 Ca -0.03 -1.66 -0.21 0.00 0.87 0.00 0.00 54.58 53.55 1p1j n ASN 270 Cb 0.13 -0.09 0.01 0.00 -1.02 0.00 0.00 39.78 38.82 1p1j n ASN 270 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1p1j n ASP 271 N 0.09 -5.55 -4.71 6.41 10.43 -0.27 -4.90 116.55 118.05 1p1j n ASP 271 Ca 0.15 -0.18 -0.42 0.00 2.57 0.00 0.00 54.79 56.91 1p1j n ASP 271 Cb 0.27 -4.54 0.00 0.00 1.84 0.00 0.00 41.12 38.69 1p1j n ASP 271 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1p1j n HIS 272 N -4.20 2.33 0.27 1.24 -0.00 -0.30 -4.87 115.22 109.69 1p1j n HIS 272 Ca -0.14 0.52 0.08 0.00 0.46 0.00 0.00 57.72 58.64 1p1j n HIS 272 Cb 0.63 -2.42 0.37 0.00 -0.12 0.00 0.00 29.99 28.45 1p1j n HIS 272 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1p1j n GLU 273 N 0.36 0.10 -0.10 1.57 1.02 -1.26 -1.97 120.64 120.36 1p1j n GLU 273 Ca 0.05 0.46 0.10 0.00 -0.02 0.00 0.00 57.16 57.75 1p1j n GLU 273 Cb 0.38 -1.73 0.34 0.00 -0.02 0.00 0.00 31.44 30.40 1p1j n GLU 273 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p1j n GLU 274 N -1.92 1.74 -3.40 3.49 1.02 -1.26 -4.75 120.64 115.56 1p1j n GLU 274 Ca 0.01 -1.13 -0.44 0.00 -0.02 0.00 0.00 57.16 55.58 1p1j n GLU 274 Cb 0.11 -1.38 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 1p1j n GLU 274 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p1j s ILE 275 N -1.75 5.23 0.59 -3.67 -1.09 -0.83 -4.84 121.20 114.84 1p1j s ILE 275 Ca 0.31 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1p1j s ILE 275 Cb 0.17 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1p1j s ILE 275 CO 0.25 -0.51 0.86 0.00 -1.23 0.00 0.00 174.94 174.31 1p1j s ALA 276 N 1.68 3.47 0.26 9.38 0.00 -1.26 -4.95 121.76 130.35 1p1j s ALA 276 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1p1j s ALA 276 Cb -0.23 -2.41 0.31 0.00 0.00 0.00 0.00 23.12 20.80 1p1j s ALA 276 CO 0.08 -0.85 1.93 -1.35 0.00 0.00 0.00 175.76 175.57 1p1j h PRO 277 N -0.13 1.26 -0.32 0.00 0.11 -1.93 -1.11 132.00 129.89 1p1j h PRO 277 Ca -0.45 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1p1j h PRO 277 Cb 1.28 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1p1j h PRO 277 CO 0.58 0.83 0.03 0.66 -0.21 0.00 0.00 178.00 179.89 1p1j h SER 278 N 1.30 0.44 -0.54 -2.05 4.64 -1.94 -0.96 113.55 114.44 1p1j h SER 278 Ca 0.37 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1p1j h SER 278 Cb -0.09 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1p1j h SER 278 CO -0.10 0.48 0.36 0.74 -0.87 0.00 0.00 176.83 177.44 1p1j h THR 279 N 0.46 1.14 -0.38 2.95 2.02 -1.53 -0.38 112.91 117.19 1p1j h THR 279 Ca 0.10 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1p1j h THR 279 Cb 0.26 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1p1j h THR 279 CO 0.00 0.13 -0.08 0.40 0.37 0.00 0.00 175.52 176.34 1p1j h ILE 280 N 0.73 1.27 -0.76 3.11 2.04 -0.88 -1.15 117.51 121.88 1p1j h ILE 280 Ca 0.20 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1p1j h ILE 280 Cb -0.08 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1p1j h ILE 280 CO -0.04 0.38 0.30 -0.26 0.00 0.00 0.00 178.15 178.53 1p1j h PHE 281 N 0.53 1.16 -0.31 1.37 -1.00 -0.94 0.39 116.94 118.15 1p1j h PHE 281 Ca 0.10 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 1p1j h PHE 281 Cb 0.59 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1p1j h PHE 281 CO 0.05 0.88 0.02 0.00 -1.61 0.00 0.00 178.31 177.66 1p1j h ALA 282 N 1.21 0.41 -0.37 2.45 0.00 -0.97 -1.12 119.26 120.88 1p1j h ALA 282 Ca 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1p1j h ALA 282 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1p1j h ALA 282 CO -0.02 0.14 0.16 0.00 0.00 0.00 0.00 179.25 179.53 1p1j h ALA 283 N 0.86 0.48 -0.85 0.00 0.00 -0.93 -0.38 119.26 118.43 1p1j h ALA 283 Ca 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1p1j h ALA 283 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1p1j h ALA 283 CO 0.01 0.06 0.47 0.00 0.00 0.00 0.00 179.25 179.79 1p1j h ALA 284 N 1.01 1.22 -0.15 0.00 0.00 -0.85 -0.20 119.26 120.29 1p1j h ALA 284 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1p1j h ALA 284 Cb 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1p1j h ALA 284 CO -0.01 0.63 -0.06 0.77 0.00 0.00 0.00 179.25 180.58 1p1j h SER 285 N 1.19 0.31 -0.75 0.00 0.02 -0.93 -1.98 113.55 111.41 1p1j h SER 285 Ca 0.30 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1p1j h SER 285 Cb 0.02 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1p1j h SER 285 CO -0.05 0.64 0.48 0.40 -1.14 0.00 0.00 176.83 177.16 1p1j h ILE 286 N -0.02 1.13 0.00 3.27 2.04 -0.83 -0.70 117.51 122.40 1p1j h ILE 286 Ca 0.03 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1p1j h ILE 286 Cb 0.52 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1p1j h ILE 286 CO 0.02 0.17 -0.17 -0.07 0.00 0.00 0.00 178.15 178.10 1p1j h LEU 287 N 0.96 0.00 -0.83 1.44 3.38 -0.96 -1.76 115.31 117.55 1p1j h LEU 287 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1p1j h LEU 287 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1p1j h LEU 287 CO -0.10 0.17 -0.15 -0.62 0.09 0.00 0.00 178.44 177.83 1p1j n GLU 288 N -3.52 1.31 -1.65 1.13 -0.58 -0.63 -4.94 120.64 111.76 1p1j n GLU 288 Ca -0.01 -0.83 -0.07 0.00 -0.42 0.00 0.00 57.16 55.83 1p1j n GLU 288 Cb 0.33 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 1p1j n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p1j n GLY 289 N 1.28 0.53 3.56 0.62 0.00 -0.50 -5.03 105.19 105.65 1p1j n GLY 289 Ca 0.15 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1p1j n GLY 289 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p1j s VAL 290 N -2.31 4.12 0.43 1.61 -7.23 -0.39 -4.93 120.40 111.70 1p1j s VAL 290 Ca 0.00 -0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 1p1j s VAL 290 Cb 0.00 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 34.04 1p1j s VAL 290 CO 0.00 0.51 1.14 -2.65 -0.31 0.00 0.00 175.10 173.79 1p1j n PRO 291 N 3.25 1.61 -4.29 4.82 -0.02 -1.26 -4.13 135.00 134.98 1p1j n PRO 291 Ca -0.17 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 1p1j n PRO 291 Cb 0.53 -2.21 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 1p1j n PRO 291 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1p1j s TYR 292 N -1.24 1.79 -0.14 6.00 6.14 -0.61 -1.38 117.35 127.91 1p1j s TYR 292 Ca 0.63 -0.85 0.01 0.00 0.64 0.00 0.00 57.07 57.50 1p1j s TYR 292 Cb -0.53 -1.33 -0.00 0.00 0.42 0.00 0.00 41.96 40.51 1p1j s TYR 292 CO 0.57 -0.47 -0.16 0.42 0.64 0.00 0.00 175.55 176.54 1p1j s ILE 293 N 1.17 2.65 -0.49 3.14 1.01 -0.45 -1.91 121.20 126.30 1p1j s ILE 293 Ca -0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 1p1j s ILE 293 Cb -0.14 -2.10 0.07 0.00 0.01 0.00 0.00 42.46 40.30 1p1j s ILE 293 CO -0.03 0.53 0.50 0.21 0.00 0.00 0.00 174.94 176.14 1p1j s ASN 294 N 0.62 6.18 0.00 3.58 2.47 0.54 -0.32 114.94 128.00 1p1j s ASN 294 Ca -0.09 -1.20 0.17 0.00 0.42 0.00 0.00 52.86 52.16 1p1j s ASN 294 Cb -0.16 -2.23 0.70 0.00 -1.45 0.00 0.00 41.25 38.11 1p1j s ASN 294 CO 0.03 -0.77 1.49 0.61 -3.72 0.00 0.00 177.10 174.74 1p1j n GLY 295 N 5.20 -0.06 3.70 1.21 0.00 -0.57 0.12 105.19 114.79 1p1j n GLY 295 Ca -0.10 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1p1j n GLY 295 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p1j s SER 296 N -1.43 4.28 0.00 1.61 0.01 -1.26 -2.24 113.70 114.68 1p1j s SER 296 Ca 0.27 -1.12 0.26 0.00 1.31 0.00 0.00 55.95 56.67 1p1j s SER 296 Cb 0.14 -0.48 0.77 0.00 0.21 0.00 0.00 66.02 66.66 1p1j s SER 296 CO 0.21 -0.48 1.60 -0.81 0.41 0.00 0.00 173.24 174.17 1p1j n PRO 297 N -1.14 0.03 -1.30 12.44 -0.04 -1.26 0.03 135.00 143.75 1p1j n PRO 297 Ca -0.02 -0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 1p1j n PRO 297 Cb 0.65 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.72 1p1j n PRO 297 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p1j n GLN 298 N -1.47 0.48 -1.31 0.54 0.00 -1.26 -4.84 117.38 109.51 1p1j n GLN 298 Ca 0.06 0.23 -0.30 0.00 0.00 0.00 0.00 57.00 57.00 1p1j n GLN 298 Cb 0.34 -2.46 -0.07 0.00 0.00 0.00 0.00 30.24 28.04 1p1j n GLN 298 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1p1j n ASN 299 N -2.80 7.46 -0.18 2.61 2.04 -1.26 -4.71 115.26 118.42 1p1j n ASN 299 Ca 0.14 -2.65 -0.01 0.00 -0.44 0.00 0.00 54.58 51.62 1p1j n ASN 299 Cb 0.50 -1.47 0.09 0.00 -2.53 0.00 0.00 39.78 36.36 1p1j n ASN 299 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1p1j h THR 300 N 2.58 0.65 0.00 5.53 2.02 -1.95 -3.31 112.91 118.43 1p1j h THR 300 Ca 0.62 -0.07 -0.67 0.00 0.77 0.00 0.00 66.41 67.05 1p1j h THR 300 Cb 0.69 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1p1j h THR 300 CO 1.21 0.04 2.90 0.49 0.37 0.00 0.00 175.52 180.53 1p1j n PHE 301 N -5.15 2.76 -1.13 3.16 3.01 -1.26 -4.79 117.46 114.05 1p1j n PHE 301 Ca 0.07 -2.54 -0.31 0.00 1.01 0.00 0.00 57.45 55.68 1p1j n PHE 301 Cb 0.29 -2.22 0.12 0.00 -0.01 0.00 0.00 39.48 37.67 1p1j n PHE 301 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1p1j s VAL 302 N 3.71 2.88 0.26 -4.37 -7.23 -1.25 -4.67 120.40 109.74 1p1j s VAL 302 Ca 0.52 0.29 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 1p1j s VAL 302 Cb 0.14 -2.69 0.30 0.00 0.56 0.00 0.00 36.38 34.69 1p1j s VAL 302 CO -0.02 -0.37 1.63 -0.65 -0.31 0.00 0.00 175.10 175.38 1p1j h PRO 303 N -1.43 0.12 0.00 4.82 0.11 -1.83 0.93 132.00 134.73 1p1j h PRO 303 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1p1j h PRO 303 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p1j h PRO 303 CO 0.51 0.08 -0.03 0.78 -0.21 0.00 0.00 178.00 179.13 1p1j h GLY 304 N 0.13 0.00 1.50 -0.55 0.00 -1.14 -0.18 103.07 102.83 1p1j h GLY 304 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.51 1p1j h GLY 304 CO -0.68 0.00 -1.28 -2.00 0.00 0.00 0.00 176.54 172.58 1p1j h LEU 305 N 0.00 0.58 -0.77 3.11 5.85 -1.09 -2.00 115.31 120.98 1p1j h LEU 305 Ca -0.00 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 1p1j h LEU 305 Cb 0.06 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1p1j h LEU 305 CO 0.00 1.45 0.06 0.58 -0.34 0.00 0.00 178.44 180.20 1p1j h VAL 306 N 0.12 1.26 -0.28 1.05 2.07 -0.79 -1.12 116.25 118.56 1p1j h VAL 306 Ca -0.16 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1p1j h VAL 306 Cb 1.98 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1p1j h VAL 306 CO 0.22 0.38 0.15 1.56 0.02 0.00 0.00 177.57 179.90 1p1j h GLN 307 N 0.92 0.39 -0.57 1.57 4.20 -1.04 -0.09 115.11 120.49 1p1j h GLN 307 Ca 0.18 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1p1j h GLN 307 Cb 0.45 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1p1j h GLN 307 CO 0.02 0.35 0.34 1.25 -0.67 0.00 0.00 178.83 180.11 1p1j h LEU 308 N 0.33 0.54 -0.70 1.46 5.85 -0.98 0.14 115.31 121.94 1p1j h LEU 308 Ca 0.10 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1p1j h LEU 308 Cb 0.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1p1j h LEU 308 CO -0.02 0.37 0.16 0.00 -0.34 0.00 0.00 178.44 178.62 1p1j h ALA 309 N 1.26 0.93 -0.62 1.25 0.00 -0.94 0.11 119.26 121.25 1p1j h ALA 309 Ca 0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1p1j h ALA 309 Cb 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1p1j h ALA 309 CO -0.11 0.66 0.21 0.93 0.00 0.00 0.00 179.25 180.94 1p1j h GLU 310 N 1.07 0.94 -0.25 0.00 5.08 -0.35 0.29 114.58 121.36 1p1j h GLU 310 Ca 0.22 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1p1j h GLU 310 Cb 0.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1p1j h GLU 310 CO 0.00 0.82 -0.02 1.25 -1.00 0.00 0.00 179.01 180.06 1p1j h HIS 311 N 0.87 0.50 0.00 4.33 2.76 -0.44 -3.07 115.15 120.11 1p1j h HIS 311 Ca 0.20 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1p1j h HIS 311 Cb 0.26 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1p1j h HIS 311 CO 0.02 0.64 0.00 0.93 -1.30 0.00 0.00 177.93 178.22 1p1j h GLU 312 N 0.22 0.00 -2.76 5.26 4.39 -0.91 -3.48 114.58 117.30 1p1j h GLU 312 Ca 0.07 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.56 1p1j h GLU 312 Cb 0.46 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1p1j h GLU 312 CO 0.02 0.00 -0.32 0.41 -1.16 0.00 0.00 179.01 177.96 1p1j n GLY 313 N 1.08 0.10 3.55 -3.84 0.00 0.99 -5.03 105.19 102.04 1p1j n GLY 313 Ca 0.04 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1p1j n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1j s THR 314 N -2.94 3.42 0.30 2.61 2.01 -0.94 -4.98 115.64 115.12 1p1j s THR 314 Ca 0.19 -0.82 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1p1j s THR 314 Cb -0.08 -2.46 -0.10 0.00 0.01 0.00 0.00 72.50 69.87 1p1j s THR 314 CO 0.24 0.43 1.18 -0.36 -0.69 0.00 0.00 174.62 175.41 1p1j s PHE 315 N -0.93 3.39 0.05 4.92 0.08 -1.26 -4.70 117.98 119.52 1p1j s PHE 315 Ca 0.16 1.60 0.01 0.00 0.12 0.00 0.00 56.93 58.81 1p1j s PHE 315 Cb -0.11 -3.43 -0.03 0.00 -0.57 0.00 0.00 43.02 38.88 1p1j s PHE 315 CO 0.06 -1.03 -0.05 0.96 -0.10 0.00 0.00 175.22 175.06 1p1j s ILE 316 N -1.15 0.39 -0.00 0.64 -4.36 -0.58 -1.57 121.20 114.56 1p1j s ILE 316 Ca 0.46 -1.31 -0.30 0.00 -0.26 0.00 0.00 60.65 59.24 1p1j s ILE 316 Cb -0.35 -0.86 0.11 0.00 1.25 0.00 0.00 42.46 42.61 1p1j s ILE 316 CO 0.45 -0.61 1.14 0.00 0.24 0.00 0.00 174.94 176.16 1p1j s ALA 317 N -2.25 -2.01 0.00 2.27 0.00 -0.80 -1.92 121.76 117.05 1p1j s ALA 317 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1p1j s ALA 317 Cb -0.04 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1p1j s ALA 317 CO -0.03 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1p1j n GLY 318 N -0.38 0.41 0.59 0.00 0.00 -1.26 -0.34 105.19 104.21 1p1j n GLY 318 Ca -0.06 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1p1j n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p1j n ASP 319 N 0.00 -0.78 -1.15 1.61 10.43 0.32 -3.50 116.55 123.47 1p1j n ASP 319 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1p1j n ASP 319 Cb 0.00 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.57 1p1j n ASP 319 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1p1j n ASP 320 N -0.14 -4.00 -4.76 -2.24 4.64 0.10 -2.48 116.55 107.67 1p1j n ASP 320 Ca 0.00 0.45 -0.41 0.00 -1.38 0.00 0.00 54.79 53.44 1p1j n ASP 320 Cb 0.00 -2.14 -0.01 0.00 -1.04 0.00 0.00 41.12 37.93 1p1j n ASP 320 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1p1j s LEU 321 N -0.15 4.34 -0.84 -2.67 1.43 -0.95 0.31 118.68 120.15 1p1j s LEU 321 Ca 0.00 2.94 -0.13 0.00 -1.03 0.00 0.00 54.13 55.91 1p1j s LEU 321 Cb 0.00 -3.64 0.22 0.00 0.03 0.00 0.00 46.19 42.80 1p1j s LEU 321 CO 0.00 -0.87 0.77 -0.75 0.23 0.00 0.00 176.35 175.73 1p1j s LYS 322 N -1.02 3.58 -0.15 1.70 2.20 0.36 -4.50 119.74 121.91 1p1j s LYS 322 Ca 0.59 -2.52 0.07 0.00 -0.36 0.00 0.00 55.97 53.75 1p1j s LYS 322 Cb -0.46 -4.40 -0.14 0.00 -1.51 0.00 0.00 37.83 31.32 1p1j s LYS 322 CO 0.52 -1.28 -0.05 -1.13 -0.36 0.00 0.00 175.35 173.06 1p1j n SER 323 N 3.85 2.10 0.00 1.43 3.41 -1.26 -4.60 113.62 118.55 1p1j n SER 323 Ca 0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1p1j n SER 323 Cb 0.46 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1p1j n SER 323 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p1j n GLY 324 N 2.39 0.67 0.27 5.00 0.00 -1.26 -4.77 105.19 107.49 1p1j n GLY 324 Ca -0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1p1j n GLY 324 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1p1j h GLN 325 N 0.00 0.66 -0.02 1.61 4.15 -1.97 -0.73 115.11 118.81 1p1j h GLN 325 Ca 0.00 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.22 1p1j h GLN 325 Cb 0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1p1j h GLN 325 CO 0.00 0.44 -0.70 1.15 -1.93 0.00 0.00 178.83 177.79 1p1j h THR 326 N 0.68 1.46 -0.06 2.39 2.02 -1.95 -1.57 112.91 115.88 1p1j h THR 326 Ca 0.32 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 1p1j h THR 326 Cb 0.24 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1p1j h THR 326 CO -0.21 0.66 0.01 0.50 0.37 0.00 0.00 175.52 176.85 1p1j h LYS 327 N 0.08 0.11 -0.71 6.66 3.64 -1.66 -1.09 116.57 123.60 1p1j h LYS 327 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1p1j h LYS 327 Cb 1.24 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1p1j h LYS 327 CO 0.10 0.33 0.38 1.25 -2.27 0.00 0.00 179.45 179.25 1p1j h LEU 328 N -0.14 0.88 -0.86 5.20 5.85 -1.10 -2.31 115.31 122.82 1p1j h LEU 328 Ca 0.02 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1p1j h LEU 328 Cb 0.28 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1p1j h LEU 328 CO 0.00 0.71 0.16 0.50 -0.34 0.00 0.00 178.44 179.47 1p1j h LYS 329 N 0.99 1.00 0.00 1.25 3.64 -1.02 0.17 116.57 122.59 1p1j h LYS 329 Ca 0.25 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1p1j h LYS 329 Cb 0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1p1j h LYS 329 CO -0.04 0.89 0.00 -1.13 -2.27 0.00 0.00 179.45 176.90 1p1j n SER 330 N -4.25 0.00 -0.08 4.20 3.41 -0.43 -1.44 113.62 115.03 1p1j n SER 330 Ca 0.05 -0.11 -0.17 0.00 -0.26 0.00 0.00 58.87 58.38 1p1j n SER 330 Cb 0.24 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1p1j n SER 330 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1p1j n VAL 331 N -1.20 1.03 -0.07 -3.33 0.31 -0.64 -2.34 118.33 112.10 1p1j n VAL 331 Ca 0.09 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.14 1p1j n VAL 331 Cb 0.10 -1.79 -0.05 0.00 -0.91 0.00 0.00 33.84 31.18 1p1j n VAL 331 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1p1j h LEU 332 N -0.63 0.36 -0.92 7.52 3.38 -0.59 -1.43 115.31 123.01 1p1j h LEU 332 Ca -0.37 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 1p1j h LEU 332 Cb 1.26 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1p1j h LEU 332 CO -0.22 0.60 0.49 0.00 0.09 0.00 0.00 178.44 179.39 1p1j h ALA 333 N 0.78 1.18 -0.42 1.53 0.00 -1.48 -1.56 119.26 119.28 1p1j h ALA 333 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1p1j h ALA 333 Cb 0.42 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1p1j h ALA 333 CO 0.01 0.66 0.09 0.37 0.00 0.00 0.00 179.25 180.39 1p1j h GLN 334 N 1.25 0.67 -0.28 0.00 5.75 -1.72 -2.60 115.11 118.19 1p1j h GLN 334 Ca 0.31 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.67 1p1j h GLN 334 Cb 0.03 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1p1j h GLN 334 CO -0.05 0.69 0.12 0.35 -2.65 0.00 0.00 178.83 177.29 1p1j h PHE 335 N 0.54 0.22 -0.07 3.99 -0.00 -0.86 -0.34 116.94 120.42 1p1j h PHE 335 Ca 0.13 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.11 1p1j h PHE 335 Cb 0.33 -0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 36.22 1p1j h PHE 335 CO 0.02 0.11 0.04 -0.07 -0.00 0.00 0.00 178.31 178.41 1p1j h LEU 336 N 0.26 0.08 -0.84 0.59 3.38 -1.22 -1.92 115.31 115.64 1p1j h LEU 336 Ca 0.12 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1p1j h LEU 336 Cb 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1p1j h LEU 336 CO -0.10 0.14 -0.13 0.58 0.09 0.00 0.00 178.44 179.02 1p1j h VAL 337 N 0.02 1.26 0.00 1.22 2.07 -1.37 -1.03 116.25 118.42 1p1j h VAL 337 Ca 0.02 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1p1j h VAL 337 Cb 0.07 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1p1j h VAL 337 CO -0.00 0.40 -0.13 0.44 0.02 0.00 0.00 177.57 178.29 1p1j h ASP 338 N 0.66 0.00 0.37 0.57 3.45 -0.90 -2.01 116.42 118.55 1p1j h ASP 338 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1p1j h ASP 338 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1p1j h ASP 338 CO 0.04 0.13 -0.21 0.00 -1.57 0.00 0.00 179.24 177.63 1p1j n ALA 339 N -2.30 2.96 -0.63 3.45 0.00 -0.74 -4.92 120.51 118.34 1p1j n ALA 339 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1p1j n ALA 339 Cb 0.25 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1p1j n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1j n GLY 340 N 1.35 0.65 3.88 0.00 0.00 -0.76 -5.06 105.19 105.25 1p1j n GLY 340 Ca 0.12 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1p1j n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p1j s ILE 341 N -2.00 5.35 -0.53 -0.61 1.01 -0.46 -5.02 121.20 118.94 1p1j s ILE 341 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 1p1j s ILE 341 Cb 0.00 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 39.08 1p1j s ILE 341 CO 0.00 0.48 0.38 -0.75 0.00 0.00 0.00 174.94 175.05 1p1j s LYS 342 N -1.43 2.50 0.33 2.79 2.20 -1.11 -3.62 119.74 121.41 1p1j s LYS 342 Ca 0.23 -2.02 -0.29 0.00 -0.36 0.00 0.00 55.97 53.53 1p1j s LYS 342 Cb -0.13 -3.86 -0.11 0.00 -1.51 0.00 0.00 37.83 32.23 1p1j s LYS 342 CO 0.12 -1.17 1.44 -2.14 -0.36 0.00 0.00 175.35 173.23 1p1j s PRO 343 N 0.88 4.21 0.00 4.03 0.02 -1.26 -0.23 135.00 142.64 1p1j s PRO 343 Ca 0.10 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1p1j s PRO 343 Cb -0.23 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1p1j s PRO 343 CO -0.03 -0.43 0.00 1.33 -0.33 0.00 0.00 177.00 177.54 1p1j n VAL 344 N 1.06 0.00 -3.70 3.83 0.24 0.16 -4.81 118.33 115.12 1p1j n VAL 344 Ca 0.02 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1p1j n VAL 344 Cb 0.40 0.48 -0.13 0.00 -1.47 0.00 0.00 33.84 33.12 1p1j n VAL 344 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p1j s SER 345 N -1.39 0.08 -0.24 -1.34 0.15 -0.85 -1.12 113.70 108.99 1p1j s SER 345 Ca 0.00 0.53 -0.01 0.00 0.70 0.00 0.00 55.95 57.17 1p1j s SER 345 Cb 0.00 0.51 0.07 0.00 -1.71 0.00 0.00 66.02 64.90 1p1j s SER 345 CO 0.00 -0.20 0.04 -0.63 1.20 0.00 0.00 173.24 173.65 1p1j s ILE 346 N 1.83 0.85 -0.22 6.45 1.01 -0.04 -0.48 121.20 130.60 1p1j s ILE 346 Ca -0.04 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 1p1j s ILE 346 Cb -0.11 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1p1j s ILE 346 CO -0.08 -0.35 0.09 0.00 0.00 0.00 0.00 174.94 174.60 1p1j s ALA 347 N 1.68 3.39 -0.20 9.38 0.00 -0.62 -2.36 121.76 133.03 1p1j s ALA 347 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1p1j s ALA 347 Cb -0.17 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 20.92 1p1j s ALA 347 CO -0.14 -0.10 -0.07 -1.12 0.00 0.00 0.00 175.76 174.33 1p1j s SER 348 N 0.89 3.34 0.08 0.00 0.01 -0.48 -1.27 113.70 116.27 1p1j s SER 348 Ca 0.05 -0.89 0.06 0.00 1.31 0.00 0.00 55.95 56.48 1p1j s SER 348 Cb -0.14 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 1p1j s SER 348 CO 0.03 -0.18 -0.09 -0.31 0.41 0.00 0.00 173.24 173.10 1p1j s TYR 349 N 1.47 2.78 -0.10 2.43 2.02 0.74 -1.29 117.35 125.41 1p1j s TYR 349 Ca -0.02 -0.13 -0.09 0.00 -0.37 0.00 0.00 57.07 56.46 1p1j s TYR 349 Cb -0.17 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1p1j s TYR 349 CO -0.08 0.42 0.27 -0.80 -1.57 0.00 0.00 175.55 173.80 1p1j s ASN 350 N -2.07 -0.29 -0.01 2.29 0.01 0.30 -0.67 114.94 114.51 1p1j s ASN 350 Ca 0.21 0.56 -0.01 0.00 -0.71 0.00 0.00 52.86 52.90 1p1j s ASN 350 Cb -0.11 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.11 1p1j s ASN 350 CO 0.13 -0.10 0.02 -1.38 -1.51 0.00 0.00 177.10 174.26 1p1j s HIS 351 N 0.21 -0.00 0.13 2.20 -3.43 -0.76 -0.06 115.29 113.58 1p1j s HIS 351 Ca -0.01 0.01 -0.16 0.00 -0.80 0.00 0.00 55.06 54.10 1p1j s HIS 351 Cb -0.02 -0.01 0.04 0.00 -1.43 0.00 0.00 32.58 31.15 1p1j s HIS 351 CO -0.00 -0.04 0.40 -0.48 -2.00 0.00 0.00 174.74 172.62 1p1j s LEU 352 N -0.16 0.38 -0.13 5.38 2.34 -0.83 -1.03 118.68 124.63 1p1j s LEU 352 Ca -0.02 -0.32 0.15 0.00 0.06 0.00 0.00 54.13 54.00 1p1j s LEU 352 Cb -0.01 1.85 0.32 0.00 -0.56 0.00 0.00 46.19 47.79 1p1j s LEU 352 CO -0.00 -0.86 1.16 0.61 -1.06 0.00 0.00 176.35 176.20 1p1j n GLY 353 N -0.23 4.16 2.23 -3.48 0.00 0.48 -0.97 105.19 107.38 1p1j n GLY 353 Ca -0.16 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1p1j n GLY 353 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p1j n ASN 354 N -0.99 0.98 0.22 1.61 0.23 -1.14 -4.38 115.26 111.79 1p1j n ASN 354 Ca 0.14 -1.76 0.08 0.00 -0.53 0.00 0.00 54.58 52.51 1p1j n ASN 354 Cb 0.71 -0.31 0.52 0.00 -2.08 0.00 0.00 39.78 38.62 1p1j n ASN 354 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1p1j h ASN 355 N -0.16 0.00 -0.01 0.53 -0.00 -1.97 -0.77 115.58 113.21 1p1j h ASN 355 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.13 1p1j h ASN 355 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.03 1p1j h ASN 355 CO 0.21 0.24 0.00 -0.78 -0.00 0.00 0.00 177.43 177.11 1p1j h ASP 356 N 0.00 0.01 -0.34 1.15 3.58 -1.98 0.59 116.42 119.43 1p1j h ASP 356 Ca -0.00 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 1p1j h ASP 356 Cb 0.53 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1p1j h ASP 356 CO 0.03 0.12 0.03 1.23 -2.88 0.00 0.00 179.24 177.76 1p1j h GLY 357 N -0.09 0.73 0.97 -0.78 0.00 -1.72 -0.20 103.07 101.98 1p1j h GLY 357 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1p1j h GLY 357 CO -0.00 0.42 0.22 -1.82 0.00 0.00 0.00 176.54 175.35 1p1j h TYR 358 N 0.64 0.77 -0.49 5.60 -0.00 -0.69 -1.75 116.97 121.06 1p1j h TYR 358 Ca 0.13 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.73 58.70 1p1j h TYR 358 Cb 0.36 -0.23 -0.01 0.00 -0.00 0.00 0.00 36.73 36.85 1p1j h TYR 358 CO 0.02 0.63 -0.15 -0.97 -0.00 0.00 0.00 178.16 177.69 1p1j h ASN 359 N 0.69 0.97 0.42 -2.11 -0.73 -0.58 -2.89 115.58 111.35 1p1j h ASN 359 Ca 0.17 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1p1j h ASN 359 Cb 0.17 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1p1j h ASN 359 CO -0.02 1.12 0.00 0.18 -0.37 0.00 0.00 177.43 178.34 1p1j n LEU 360 N -4.18 0.00 0.13 0.34 4.77 -0.11 -2.76 117.00 115.19 1p1j n LEU 360 Ca 0.00 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1p1j n LEU 360 Cb 0.41 -0.35 0.49 0.00 -2.33 0.00 0.00 43.42 41.64 1p1j n LEU 360 CO 0.45 -0.14 0.86 -1.54 -1.33 0.00 0.00 177.39 175.69 1p1j n SER 361 N -1.35 0.69 -4.72 -1.43 3.41 -0.69 -3.93 113.62 105.59 1p1j n SER 361 Ca 0.07 0.66 -0.39 0.00 -0.26 0.00 0.00 58.87 58.95 1p1j n SER 361 Cb 0.16 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 1p1j n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p1j s ALA 362 N -3.30 3.41 0.23 7.33 0.00 -1.11 -4.97 121.76 123.35 1p1j s ALA 362 Ca 0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1p1j s ALA 362 Cb 0.10 -2.81 0.30 0.00 0.00 0.00 0.00 23.12 20.71 1p1j s ALA 362 CO 0.41 -0.03 1.58 -1.35 0.00 0.00 0.00 175.76 176.38 1p1j h PRO 363 N 6.61 -0.03 -0.49 0.00 0.11 -1.91 -0.41 132.00 135.88 1p1j h PRO 363 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1p1j h PRO 363 Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1p1j h PRO 363 CO 0.75 -0.02 0.17 0.87 -0.21 0.00 0.00 178.00 179.55 1p1j h LYS 364 N -0.03 0.72 0.03 1.05 1.57 -1.94 -0.30 116.57 117.67 1p1j h LYS 364 Ca 0.36 -0.12 -0.22 0.00 -1.87 0.00 0.00 60.65 58.81 1p1j h LYS 364 Cb 0.60 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.80 1p1j h LYS 364 CO -0.85 0.62 -0.87 1.96 -0.57 0.00 0.00 179.45 179.74 1p1j h GLN 365 N 0.71 0.54 -0.85 3.15 7.50 -1.69 -3.25 115.11 121.23 1p1j h GLN 365 Ca 0.17 -0.62 0.05 0.00 0.50 0.00 0.00 58.65 58.74 1p1j h GLN 365 Cb 0.19 0.18 -0.06 0.00 0.05 0.00 0.00 27.48 27.85 1p1j h GLN 365 CO -0.01 1.24 0.53 0.35 -1.50 0.00 0.00 178.83 179.44 1p1j h PHE 366 N 0.11 1.00 -0.80 2.96 3.57 -0.81 -2.59 116.94 120.37 1p1j h PHE 366 Ca -0.12 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.56 1p1j h PHE 366 Cb 1.56 -0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 1p1j h PHE 366 CO 0.13 0.54 0.36 -0.09 -2.23 0.00 0.00 178.31 177.02 1p1j h ARG 367 N 1.01 0.50 -0.57 1.11 9.65 -1.09 0.05 114.38 125.04 1p1j h ARG 367 Ca 0.35 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.25 1p1j h ARG 367 Cb 0.08 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 1p1j h ARG 367 CO -0.14 0.33 0.29 0.77 2.80 0.00 0.00 179.97 184.02 1p1j h SER 368 N 0.51 0.42 0.68 -3.80 0.02 -1.53 -2.24 113.55 107.62 1p1j h SER 368 Ca 0.44 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.30 1p1j h SER 368 Cb 0.66 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1p1j h SER 368 CO -0.39 0.28 -0.59 0.50 -1.14 0.00 0.00 176.83 175.49 1p1j h LYS 369 N 0.56 0.00 -0.83 3.45 3.64 -1.19 -3.08 116.57 119.13 1p1j h LYS 369 Ca 0.25 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1p1j h LYS 369 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1p1j h LYS 369 CO -0.17 0.59 0.42 1.49 -2.27 0.00 0.00 179.45 179.50 1p1j h GLU 370 N 0.00 1.17 -0.18 1.90 4.81 -0.46 -2.39 114.58 119.43 1p1j h GLU 370 Ca -0.01 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1p1j h GLU 370 Cb 1.09 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1p1j h GLU 370 CO 0.08 0.88 -0.05 0.82 -0.73 0.00 0.00 179.01 180.01 1p1j h ILE 371 N 1.17 1.29 -0.66 2.32 2.04 -1.39 -1.97 117.51 120.30 1p1j h ILE 371 Ca 0.29 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1p1j h ILE 371 Cb 0.08 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1p1j h ILE 371 CO -0.04 0.31 0.12 0.77 0.00 0.00 0.00 178.15 179.31 1p1j h SER 372 N 0.07 1.05 0.75 1.72 4.64 -1.48 -1.98 113.55 118.32 1p1j h SER 372 Ca 0.05 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 1p1j h SER 372 Cb 0.49 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1p1j h SER 372 CO 0.02 1.03 -0.65 0.11 -0.87 0.00 0.00 176.83 176.47 1p1j h LYS 373 N 1.01 0.00 0.08 4.77 1.57 -1.47 -3.29 116.57 119.24 1p1j h LYS 373 Ca 0.20 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.73 1p1j h LYS 373 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1p1j h LYS 373 CO 0.01 0.65 -1.11 0.77 -0.57 0.00 0.00 179.45 179.20 1p1j h SER 374 N 0.00 0.43 0.99 0.86 0.02 -1.19 -3.34 113.55 111.32 1p1j h SER 374 Ca -0.01 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1p1j h SER 374 Cb 1.20 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1p1j h SER 374 CO 0.08 1.27 0.00 -1.54 -1.14 0.00 0.00 176.83 175.51 1p1j n SER 375 N -3.60 0.73 0.25 3.07 3.41 -0.76 -3.95 113.62 112.77 1p1j n SER 375 Ca -0.07 0.64 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 1p1j n SER 375 Cb 0.95 -0.81 0.81 0.00 -0.26 0.00 0.00 64.21 64.90 1p1j n SER 375 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1p1j h VAL 376 N 0.00 0.00 -0.01 -3.33 3.04 -1.69 -2.44 116.25 111.82 1p1j h VAL 376 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1p1j h VAL 376 Cb 0.50 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1p1j h VAL 376 CO 0.00 0.00 -0.39 2.30 -1.01 0.00 0.00 177.57 178.47 1p1j n ILE 377 N -2.61 0.00 -0.21 3.17 -5.35 -1.25 -4.68 119.36 108.42 1p1j n ILE 377 Ca -0.02 -0.31 -0.01 0.00 -0.27 0.00 0.00 62.75 62.15 1p1j n ILE 377 Cb 0.14 1.12 0.10 0.00 -1.74 0.00 0.00 39.64 39.27 1p1j n ILE 377 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1p1j h ASP 378 N 1.16 0.36 -0.27 7.28 3.32 -1.68 -1.55 116.42 125.04 1p1j h ASP 378 Ca 0.00 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1p1j h ASP 378 Cb 0.44 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1p1j h ASP 378 CO 0.00 0.22 -0.26 -2.24 -1.72 0.00 0.00 179.24 175.24 1p1j h ASP 379 N 0.51 0.79 -0.39 6.45 2.03 -1.83 -2.26 116.42 121.73 1p1j h ASP 379 Ca 0.30 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1p1j h ASP 379 Cb 0.29 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.56 1p1j h ASP 379 CO -0.24 1.01 0.25 0.40 -1.03 0.00 0.00 179.24 179.63 1p1j h ILE 380 N 0.66 1.11 -0.15 4.15 2.04 -1.70 -2.28 117.51 121.34 1p1j h ILE 380 Ca 0.08 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1p1j h ILE 380 Cb 0.78 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1p1j h ILE 380 CO 0.06 0.10 -0.32 0.40 0.00 0.00 0.00 178.15 178.40 1p1j h ILE 381 N 0.52 1.27 0.00 -0.67 1.08 -1.19 -2.85 117.51 115.67 1p1j h ILE 381 Ca 0.14 -1.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1p1j h ILE 381 Cb -0.05 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1p1j h ILE 381 CO -0.03 0.40 0.00 0.00 -0.69 0.00 0.00 178.15 177.83 1p1j h ALA 382 N 1.42 1.00 -0.00 1.87 0.00 -1.09 -3.24 119.26 119.23 1p1j h ALA 382 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p1j h ALA 382 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1p1j h ALA 382 CO 0.05 0.00 -0.02 -1.13 0.00 0.00 0.00 179.25 178.15 1p1j n SER 383 N -2.38 0.03 -3.73 0.00 3.41 -0.89 -4.64 113.62 105.43 1p1j n SER 383 Ca 0.04 0.23 -0.30 0.00 -0.26 0.00 0.00 58.87 58.58 1p1j n SER 383 Cb 0.38 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 1p1j n SER 383 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1p1j s ASN 384 N -2.84 4.03 0.00 4.04 3.84 -1.23 -4.96 114.94 117.82 1p1j s ASN 384 Ca 0.19 -1.66 0.17 0.00 0.21 0.00 0.00 52.86 51.77 1p1j s ASN 384 Cb 0.19 -0.87 0.53 0.00 -0.55 0.00 0.00 41.25 40.55 1p1j s ASN 384 CO 0.51 -0.41 1.41 -0.90 -2.79 0.00 0.00 177.10 174.92 1p1j n ASP 385 N 4.82 2.14 0.06 -4.21 3.85 -1.26 -1.85 116.55 120.10 1p1j n ASP 385 Ca -0.02 -1.88 -0.21 0.00 -0.71 0.00 0.00 54.79 51.97 1p1j n ASP 385 Cb 0.42 -0.21 -0.15 0.00 -1.35 0.00 0.00 41.12 39.83 1p1j n ASP 385 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1p1j h ILE 386 N 2.56 1.36 0.13 2.12 2.04 -1.98 -3.38 117.51 120.36 1p1j h ILE 386 Ca 0.00 -2.55 -0.29 0.00 1.00 0.00 0.00 64.86 63.03 1p1j h ILE 386 Cb 0.57 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1p1j h ILE 386 CO 0.00 0.74 -1.44 -0.07 0.00 0.00 0.00 178.15 177.37 1p1j h LEU 387 N -0.24 0.43 -8.11 1.44 3.38 -1.96 -3.44 115.31 106.80 1p1j h LEU 387 Ca -0.20 -0.87 -0.70 0.00 0.09 0.00 0.00 57.88 56.20 1p1j h LEU 387 Cb 1.79 -0.14 -0.30 0.00 0.09 0.00 0.00 40.66 42.10 1p1j h LEU 387 CO 0.16 1.64 -0.56 -0.31 0.09 0.00 0.00 178.44 179.46 1p1j s TYR 388 N -2.49 3.32 0.36 1.13 1.51 -0.77 -4.71 117.35 115.70 1p1j s TYR 388 Ca -0.19 -1.62 -0.12 0.00 -1.01 0.00 0.00 57.07 54.13 1p1j s TYR 388 Cb 0.04 -2.59 0.04 0.00 -0.11 0.00 0.00 41.96 39.34 1p1j s TYR 388 CO 0.78 -0.80 0.69 0.54 -1.11 0.00 0.00 175.55 175.65 1p1j s ASN 389 N 1.66 0.23 0.34 2.29 2.20 -1.11 -4.18 114.94 116.37 1p1j s ASN 389 Ca 0.01 -1.19 0.04 0.00 -0.94 0.00 0.00 52.86 50.77 1p1j s ASN 389 Cb -0.21 0.78 0.60 0.00 -2.00 0.00 0.00 41.25 40.43 1p1j s ASN 389 CO 0.01 -1.54 1.90 0.44 -2.94 0.00 0.00 177.10 174.97 1p1j h ASP 390 N 2.04 0.56 -0.19 3.54 3.32 -1.94 0.38 116.42 124.13 1p1j h ASP 390 Ca -0.30 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 1p1j h ASP 390 Cb 1.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1p1j h ASP 390 CO 0.39 0.56 -0.41 0.50 -1.72 0.00 0.00 179.24 178.56 1p1j h LYS 391 N 0.59 0.62 -0.01 3.56 3.64 -1.98 -3.31 116.57 119.67 1p1j h LYS 391 Ca 0.14 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1p1j h LYS 391 Cb 0.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1p1j h LYS 391 CO -0.00 1.02 -0.77 1.28 -2.27 0.00 0.00 179.45 178.71 1p1j n LEU 392 N -4.24 1.34 0.00 5.20 4.77 -1.20 -5.07 117.00 117.80 1p1j n LEU 392 Ca -0.06 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1p1j n LEU 392 Cb 0.54 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1p1j n LEU 392 CO 0.46 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1p1j n GLY 393 N 1.47 1.90 0.29 -0.72 0.00 0.13 -4.87 105.19 103.39 1p1j n GLY 393 Ca 0.06 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.69 1p1j n GLY 393 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1p1j n LYS 394 N 2.50 1.47 -4.29 1.61 2.85 -1.04 -2.74 118.16 118.51 1p1j n LYS 394 Ca 0.00 -2.81 -0.29 0.00 -1.05 0.00 0.00 58.31 54.15 1p1j n LYS 394 Cb 0.00 -1.56 -0.11 0.00 -0.65 0.00 0.00 35.03 32.71 1p1j n LYS 394 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1p1j s LYS 395 N -2.99 1.87 -0.20 -1.58 2.20 -1.26 -4.85 119.74 112.93 1p1j s LYS 395 Ca 0.35 -1.17 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1p1j s LYS 395 Cb 0.31 -2.15 0.04 0.00 -1.51 0.00 0.00 37.83 34.53 1p1j s LYS 395 CO 0.00 0.48 -0.11 0.08 -0.36 0.00 0.00 175.35 175.45 1p1j s VAL 396 N -1.24 1.69 0.24 4.02 1.01 -1.26 -4.86 120.40 120.01 1p1j s VAL 396 Ca 0.19 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1p1j s VAL 396 Cb -0.10 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 1p1j s VAL 396 CO 0.11 0.16 1.53 -1.81 0.00 0.00 0.00 175.10 175.10 1p1j s ASP 397 N 1.37 6.53 -0.09 3.32 -0.00 -0.27 -4.89 116.67 122.63 1p1j s ASP 397 Ca -0.02 2.76 -0.04 0.00 -0.00 0.00 0.00 52.55 55.26 1p1j s ASP 397 Cb -0.16 -2.62 0.05 0.00 -0.00 0.00 0.00 42.92 40.18 1p1j s ASP 397 CO -0.08 -0.81 0.20 -2.28 -0.00 0.00 0.00 175.17 172.20 1p1j s HIS 398 N 0.30 -0.27 0.02 4.23 2.46 -1.26 -0.86 115.29 119.90 1p1j s HIS 398 Ca 0.64 0.71 0.05 0.00 0.47 0.00 0.00 55.06 56.92 1p1j s HIS 398 Cb -0.45 -0.07 -0.02 0.00 -0.13 0.00 0.00 32.58 31.92 1p1j s HIS 398 CO 0.42 -0.25 -0.14 0.00 -2.47 0.00 0.00 174.74 172.30 1p1j s ILE 400 N -0.59 1.58 -0.03 0.00 -1.09 -1.26 -1.38 121.20 118.43 1p1j s ILE 400 Ca 0.04 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1p1j s ILE 400 Cb -0.07 -1.42 0.01 0.00 -1.58 0.00 0.00 42.46 39.40 1p1j s ILE 400 CO 0.00 0.46 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.40 1p1j s VAL 401 N 0.81 0.72 -0.08 2.92 1.01 -0.41 -5.00 120.40 120.37 1p1j s VAL 401 Ca -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1p1j s VAL 401 Cb -0.16 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1p1j s VAL 401 CO 0.01 0.24 -0.01 -0.63 0.00 0.00 0.00 175.10 174.71 1p1j s ILE 402 N 0.38 0.49 0.03 2.22 1.01 -1.26 -0.53 121.20 123.53 1p1j s ILE 402 Ca -0.06 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.71 1p1j s ILE 402 Cb -0.10 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1p1j s ILE 402 CO 0.01 0.26 -0.26 -0.54 0.00 0.00 0.00 174.94 174.41 1p1j s LYS 403 N 1.92 1.83 -0.26 2.79 -0.14 0.91 -4.89 119.74 121.91 1p1j s LYS 403 Ca 0.05 -1.04 -0.22 0.00 -1.36 0.00 0.00 55.97 53.39 1p1j s LYS 403 Cb -0.12 -1.94 -0.01 0.00 -1.68 0.00 0.00 37.83 34.08 1p1j s LYS 403 CO -0.06 0.51 0.73 -0.47 -0.76 0.00 0.00 175.35 175.30 1p1j s TYR 404 N -0.75 3.27 -0.34 3.18 6.14 -1.26 -1.95 117.35 125.64 1p1j s TYR 404 Ca 0.11 0.91 -0.01 0.00 0.64 0.00 0.00 57.07 58.71 1p1j s TYR 404 Cb -0.10 -2.99 0.12 0.00 0.42 0.00 0.00 41.96 39.40 1p1j s TYR 404 CO 0.01 -0.41 0.16 -1.64 0.64 0.00 0.00 175.55 174.31 1p1j s MET 405 N 2.71 0.62 0.28 4.97 -1.94 -0.14 -4.91 119.30 120.89 1p1j s MET 405 Ca 0.30 -1.14 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1p1j s MET 405 Cb -0.15 -1.65 0.65 0.00 2.01 0.00 0.00 34.83 35.69 1p1j s MET 405 CO 0.09 -1.08 1.71 -0.22 -0.01 0.00 0.00 175.02 175.51 1p1j h LYS 406 N 7.69 0.42 -0.65 2.03 3.64 -1.82 -2.93 116.57 124.95 1p1j h LYS 406 Ca -0.09 -0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.46 1p1j h LYS 406 Cb 0.99 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1p1j h LYS 406 CO 0.41 0.28 0.47 -1.35 -2.27 0.00 0.00 179.45 176.99 1p1j h PRO 407 N 0.44 0.01 -0.00 1.90 0.11 -1.93 -1.43 132.00 131.09 1p1j h PRO 407 Ca 0.52 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1p1j h PRO 407 Cb 0.92 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1p1j h PRO 407 CO -0.49 0.01 -0.04 1.33 -0.21 0.00 0.00 178.00 178.60 1p1j n VAL 408 N -4.35 0.00 -1.13 3.15 0.24 -1.14 -4.98 118.33 110.12 1p1j n VAL 408 Ca 0.13 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1p1j n VAL 408 Cb 0.71 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1p1j n VAL 408 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p1j n GLY 409 N 1.49 2.97 0.04 7.63 0.00 -0.54 -1.91 105.19 114.86 1p1j n GLY 409 Ca 0.07 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1p1j n GLY 409 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p1j n ASP 410 N 2.39 0.26 -4.40 1.61 -0.08 -1.26 -0.39 116.55 114.68 1p1j n ASP 410 Ca 0.00 0.54 -0.43 0.00 -1.51 0.00 0.00 54.79 53.38 1p1j n ASP 410 Cb 0.00 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1p1j n ASP 410 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p1j n SER 411 N -1.75 4.97 -4.75 1.67 7.64 -0.80 -2.08 113.62 118.52 1p1j n SER 411 Ca 0.05 -2.95 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 1p1j n SER 411 Cb 0.31 -1.65 -0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1p1j n SER 411 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1p1j n LYS 412 N 6.72 2.49 -3.85 1.43 0.00 0.98 -4.68 118.16 121.25 1p1j n LYS 412 Ca 0.44 0.87 -0.36 0.00 0.00 0.00 0.00 58.31 59.27 1p1j n LYS 412 Cb 0.43 -2.56 -0.13 0.00 0.00 0.00 0.00 35.03 32.77 1p1j n LYS 412 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1p1j s VAL 413 N -1.07 3.75 -0.18 3.15 1.01 -0.20 0.43 120.40 127.30 1p1j s VAL 413 Ca 0.54 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1p1j s VAL 413 Cb -0.51 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1p1j s VAL 413 CO 0.63 0.39 -0.02 0.00 0.00 0.00 0.00 175.10 176.10 1p1j s ALA 414 N 1.52 3.01 -0.13 5.51 0.00 0.04 -1.83 121.76 129.88 1p1j s ALA 414 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1p1j s ALA 414 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1p1j s ALA 414 CO -0.00 0.02 -0.13 -1.64 0.00 0.00 0.00 175.76 174.01 1p1j s MET 415 N 0.70 2.14 0.12 0.00 -1.94 0.15 0.10 119.30 120.57 1p1j s MET 415 Ca -0.01 -0.50 0.05 0.00 -1.71 0.00 0.00 55.69 53.52 1p1j s MET 415 Cb -0.14 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 1p1j s MET 415 CO 0.02 -0.21 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.19 1p1j s ASP 416 N 1.43 1.81 -0.05 3.03 -0.00 -0.51 -0.18 116.67 122.18 1p1j s ASP 416 Ca 0.03 -0.86 -0.01 0.00 -0.00 0.00 0.00 52.55 51.71 1p1j s ASP 416 Cb -0.13 -0.04 0.03 0.00 -0.00 0.00 0.00 42.92 42.78 1p1j s ASP 416 CO -0.08 -0.22 0.01 -0.70 -0.00 0.00 0.00 175.17 174.18 1p1j s GLU 417 N -2.94 0.42 -0.34 8.23 2.12 -0.40 -0.27 118.70 125.52 1p1j s GLU 417 Ca 0.10 0.13 -0.07 0.00 0.36 0.00 0.00 54.97 55.49 1p1j s GLU 417 Cb -0.03 -0.74 0.04 0.00 0.26 0.00 0.00 34.13 33.66 1p1j s GLU 417 CO 0.02 -0.24 0.12 0.71 -0.54 0.00 0.00 175.26 175.33 1p1j s TYR 418 N 1.66 3.25 -0.25 5.30 1.51 0.88 -1.60 117.35 128.11 1p1j s TYR 418 Ca -0.00 -1.31 -0.05 0.00 -1.01 0.00 0.00 57.07 54.69 1p1j s TYR 418 Cb -0.13 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1p1j s TYR 418 CO -0.03 -0.71 0.02 -0.47 -1.11 0.00 0.00 175.55 173.25 1p1j s TYR 419 N 1.44 3.04 0.19 2.71 6.04 0.37 -0.92 117.35 130.22 1p1j s TYR 419 Ca -0.01 -0.81 0.08 0.00 0.04 0.00 0.00 57.07 56.37 1p1j s TYR 419 Cb -0.19 -2.17 -0.05 0.00 -1.04 0.00 0.00 41.96 38.51 1p1j s TYR 419 CO 0.04 -0.50 -0.15 -1.12 -1.54 0.00 0.00 175.55 172.27 1p1j s SER 420 N 1.52 2.57 -0.06 4.32 0.01 -0.04 -0.66 113.70 121.36 1p1j s SER 420 Ca 0.05 -0.98 -0.12 0.00 1.31 0.00 0.00 55.95 56.21 1p1j s SER 420 Cb -0.15 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1p1j s SER 420 CO -0.00 -0.14 0.30 -1.61 0.41 0.00 0.00 173.24 172.20 1p1j s GLU 421 N -3.44 3.77 0.51 12.44 2.02 0.68 -0.99 118.70 133.69 1p1j s GLU 421 Ca 0.21 0.19 0.03 0.00 0.02 0.00 0.00 54.97 55.42 1p1j s GLU 421 Cb -0.02 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1p1j s GLU 421 CO 0.07 0.69 0.15 -0.51 0.02 0.00 0.00 175.26 175.68 1p1j s LEU 422 N -0.94 2.50 0.81 1.80 1.43 -0.05 -2.73 118.68 121.49 1p1j s LEU 422 Ca 0.20 -1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 1p1j s LEU 422 Cb -0.15 -0.94 0.08 0.00 0.03 0.00 0.00 46.19 45.22 1p1j s LEU 422 CO 0.09 -0.91 1.13 0.00 0.23 0.00 0.00 176.35 176.89 1p1j s MET 423 N -4.01 1.84 -1.61 1.70 0.23 -1.26 -3.51 119.30 112.68 1p1j s MET 423 Ca 0.18 1.43 -0.16 0.00 -1.03 0.00 0.00 55.69 56.12 1p1j s MET 423 Cb 0.01 -1.83 0.12 0.00 -1.53 0.00 0.00 34.83 31.59 1p1j s MET 423 CO 0.11 -2.00 0.90 1.28 -2.03 0.00 0.00 175.02 173.28 1p1j n LEU 424 N -3.54 -2.20 0.00 0.18 4.77 -1.26 -1.88 117.00 113.08 1p1j n LEU 424 Ca 0.11 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1p1j n LEU 424 Cb 0.52 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 1p1j n LEU 424 CO 0.50 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1p1j n GLY 425 N -1.57 0.81 3.88 -0.72 0.00 -1.25 -5.04 105.19 101.29 1p1j n GLY 425 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1p1j n GLY 425 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1j s GLY 426 N -1.92 1.66 0.12 -0.02 0.00 -0.79 -4.90 107.32 101.48 1p1j s GLY 426 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 1p1j s GLY 426 CO 0.00 -0.23 0.19 0.30 0.00 0.00 0.00 173.10 173.36 1p1j s HIS 427 N -3.62 0.35 -0.04 1.90 3.76 -1.26 -0.87 115.29 115.51 1p1j s HIS 427 Ca 0.67 -0.76 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1p1j s HIS 427 Cb -0.09 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1p1j s HIS 427 CO 0.52 -0.59 -0.12 1.21 -0.85 0.00 0.00 174.74 174.91 1p1j s ASN 428 N -2.92 1.57 -0.18 1.40 3.84 -0.16 -4.81 114.94 113.68 1p1j s ASN 428 Ca 0.11 -0.25 -0.01 0.00 0.21 0.00 0.00 52.86 52.93 1p1j s ASN 428 Cb 0.05 -0.49 0.05 0.00 -0.55 0.00 0.00 41.25 40.31 1p1j s ASN 428 CO -0.06 0.08 -0.04 -0.60 -2.79 0.00 0.00 177.10 173.70 1p1j s ARG 429 N 0.25 1.33 -0.27 0.43 3.52 -1.26 -0.86 118.95 122.09 1p1j s ARG 429 Ca -0.05 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1p1j s ARG 429 Cb -0.11 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.18 1p1j s ARG 429 CO 0.01 -0.49 0.03 0.42 -0.81 0.00 0.00 175.30 174.46 1p1j s ILE 430 N 1.63 3.60 -0.13 4.11 1.01 -0.10 -4.97 121.20 126.35 1p1j s ILE 430 Ca -0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1p1j s ILE 430 Cb -0.16 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1p1j s ILE 430 CO -0.07 0.16 -0.03 -0.44 0.00 0.00 0.00 174.94 174.56 1p1j s SER 431 N 1.45 4.92 0.03 3.58 0.01 -1.26 -0.08 113.70 122.35 1p1j s SER 431 Ca 0.02 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.28 1p1j s SER 431 Cb -0.17 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 1p1j s SER 431 CO -0.00 0.24 -0.13 -0.63 0.41 0.00 0.00 173.24 173.12 1p1j s ILE 432 N -0.04 1.04 -0.17 1.44 1.01 0.63 -4.99 121.20 120.12 1p1j s ILE 432 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1p1j s ILE 432 Cb -0.13 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.45 1p1j s ILE 432 CO 0.02 0.05 -0.08 -2.28 0.00 0.00 0.00 174.94 172.66 1p1j s HIS 433 N -0.73 1.98 -0.22 3.97 5.65 -1.26 -1.43 115.29 123.24 1p1j s HIS 433 Ca 0.02 -1.25 0.01 0.00 0.25 0.00 0.00 55.06 54.09 1p1j s HIS 433 Cb -0.07 -1.45 0.05 0.00 -1.18 0.00 0.00 32.58 29.93 1p1j s HIS 433 CO 0.01 -0.66 -0.09 1.21 -0.65 0.00 0.00 174.74 174.56 1p1j s ASN 434 N 1.54 3.77 -0.45 9.88 3.84 0.11 -4.99 114.94 128.65 1p1j s ASN 434 Ca 0.01 -1.09 -0.23 0.00 0.21 0.00 0.00 52.86 51.76 1p1j s ASN 434 Cb -0.15 -1.29 0.03 0.00 -0.55 0.00 0.00 41.25 39.29 1p1j s ASN 434 CO -0.08 -0.18 0.77 -0.69 -2.79 0.00 0.00 177.10 174.13 1p1j s VAL 435 N 1.33 4.66 -0.40 -5.21 1.01 -1.26 -0.78 120.40 119.75 1p1j s VAL 435 Ca -0.04 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1p1j s VAL 435 Cb -0.18 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.93 1p1j s VAL 435 CO -0.07 -0.73 0.25 0.00 0.00 0.00 0.00 175.10 174.56 1p1j s GLU 437 N 1.55 3.58 0.27 0.00 2.02 -1.26 -0.01 118.70 124.85 1p1j s GLU 437 Ca 0.03 -1.35 -0.08 0.00 0.02 0.00 0.00 54.97 53.58 1p1j s GLU 437 Cb -0.21 -5.39 0.45 0.00 0.10 0.00 0.00 34.13 29.08 1p1j s GLU 437 CO 0.06 -2.41 1.58 -0.44 0.02 0.00 0.00 175.26 174.07 1p1j h ASP 438 N 9.16 -0.76 -0.01 -0.19 3.45 -1.76 -1.68 116.42 124.62 1p1j h ASP 438 Ca 0.28 0.27 -0.13 0.00 0.43 0.00 0.00 57.03 57.87 1p1j h ASP 438 Cb 0.96 0.54 -0.01 0.00 -0.56 0.00 0.00 39.33 40.25 1p1j h ASP 438 CO 1.41 -0.30 -0.42 0.28 -1.57 0.00 0.00 179.24 178.64 1p1j h SER 439 N 0.01 0.57 1.22 6.45 0.02 -1.89 0.52 113.55 120.45 1p1j h SER 439 Ca 0.45 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1p1j h SER 439 Cb 0.73 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1p1j h SER 439 CO -0.91 0.93 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.48 1p1j h LEU 440 N 0.44 0.00 0.15 5.07 3.38 -1.75 0.34 115.31 122.94 1p1j h LEU 440 Ca 0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 1p1j h LEU 440 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1p1j h LEU 440 CO 0.08 0.16 -1.33 -0.07 0.09 0.00 0.00 178.44 177.37 1p1j h LEU 441 N 0.00 0.51 -0.17 1.67 3.38 -1.08 -3.39 115.31 116.24 1p1j h LEU 441 Ca -0.00 -0.90 -0.22 0.00 0.09 0.00 0.00 57.88 56.84 1p1j h LEU 441 Cb 0.81 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1p1j h LEU 441 CO 0.02 1.61 -0.78 0.00 0.09 0.00 0.00 178.44 179.38 1p1j h ALA 442 N 0.04 0.32 -0.39 1.53 0.00 -0.82 -3.34 119.26 116.60 1p1j h ALA 442 Ca -0.26 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.12 1p1j h ALA 442 Cb 1.85 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 1p1j h ALA 442 CO 0.13 0.69 0.00 1.15 0.00 0.00 0.00 179.25 181.23 1p1j h THR 443 N 0.53 0.71 0.00 0.00 2.02 -1.12 -0.39 112.91 114.67 1p1j h THR 443 Ca -0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1p1j h THR 443 Cb 1.41 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1p1j h THR 443 CO 0.16 0.02 -0.05 1.55 0.37 0.00 0.00 175.52 177.57 1p1j h PRO 444 N 0.11 0.00 0.02 6.66 0.13 -1.76 -1.48 132.00 135.68 1p1j h PRO 444 Ca 0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.07 1p1j h PRO 444 Cb 0.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.41 1p1j h PRO 444 CO -0.32 0.05 -1.02 -0.07 -0.23 0.00 0.00 178.00 176.42 1p1j h LEU 445 N 0.00 0.69 -0.57 1.56 3.38 -1.25 -0.90 115.31 118.21 1p1j h LEU 445 Ca -0.00 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1p1j h LEU 445 Cb 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1p1j h LEU 445 CO 0.01 1.37 0.29 0.40 0.09 0.00 0.00 178.44 180.60 1p1j h ILE 446 N 0.29 1.20 -0.10 1.22 2.04 -0.51 0.35 117.51 121.99 1p1j h ILE 446 Ca -0.11 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1p1j h ILE 446 Cb 1.66 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1p1j h ILE 446 CO 0.19 0.22 -0.03 0.40 0.00 0.00 0.00 178.15 178.93 1p1j h ILE 447 N 0.77 0.88 -0.58 -0.67 2.04 -1.21 -1.52 117.51 117.23 1p1j h ILE 447 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1p1j h ILE 447 Cb 0.09 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1p1j h ILE 447 CO -0.03 0.00 0.30 0.44 0.00 0.00 0.00 178.15 178.86 1p1j h ASP 448 N -0.01 0.42 -0.95 1.72 3.45 -0.70 -0.16 116.42 120.19 1p1j h ASP 448 Ca 0.05 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1p1j h ASP 448 Cb 0.09 -0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 38.77 1p1j h ASP 448 CO -0.11 0.28 0.59 -0.07 -1.57 0.00 0.00 179.24 178.36 1p1j h LEU 449 N 0.56 1.12 -0.13 1.55 3.38 -0.57 0.69 115.31 121.91 1p1j h LEU 449 Ca 0.26 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1p1j h LEU 449 Cb 0.19 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1p1j h LEU 449 CO -0.19 0.84 -0.17 -0.07 0.09 0.00 0.00 178.44 178.95 1p1j h LEU 450 N 1.30 0.37 -0.37 1.67 3.38 -0.66 -1.05 115.31 119.96 1p1j h LEU 450 Ca 0.34 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1p1j h LEU 450 Cb -0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1p1j h LEU 450 CO -0.07 0.81 0.23 0.58 0.09 0.00 0.00 178.44 180.08 1p1j h VAL 451 N -0.05 1.12 -0.14 1.22 2.07 -0.81 -1.47 116.25 118.18 1p1j h VAL 451 Ca 0.02 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 1p1j h VAL 451 Cb 0.72 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1p1j h VAL 451 CO 0.04 0.12 -0.51 -0.03 0.02 0.00 0.00 177.57 177.20 1p1j h MET 452 N 0.49 0.39 -0.32 1.57 -1.53 -0.89 -2.20 114.93 112.43 1p1j h MET 452 Ca 0.13 -0.23 -0.06 0.00 -3.44 0.00 0.00 59.70 56.10 1p1j h MET 452 Cb -0.01 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 1p1j h MET 452 CO -0.03 0.81 -0.05 1.15 0.14 0.00 0.00 176.91 178.94 1p1j h THR 453 N 0.31 1.27 -0.71 -0.77 2.02 -1.01 -1.65 112.91 112.38 1p1j h THR 453 Ca 0.01 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1p1j h THR 453 Cb 1.01 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1p1j h THR 453 CO 0.09 0.34 0.46 -0.08 0.37 0.00 0.00 175.52 176.70 1p1j h GLU 454 N 0.37 0.94 -0.41 6.66 4.22 -1.19 -2.11 114.58 123.07 1p1j h GLU 454 Ca 0.08 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1p1j h GLU 454 Cb 0.52 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1p1j h GLU 454 CO 0.03 0.64 0.23 0.35 -2.18 0.00 0.00 179.01 178.08 1p1j h PHE 455 N 0.96 0.43 0.00 0.92 3.57 -1.22 -2.16 116.94 119.44 1p1j h PHE 455 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1p1j h PHE 455 Cb -0.09 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 1p1j h PHE 455 CO -0.02 0.24 -0.05 0.00 -2.23 0.00 0.00 178.31 176.25 1p1j n THR 457 N -4.28 0.82 -0.17 0.00 -2.24 -0.81 -2.24 114.28 105.37 1p1j n THR 457 Ca -0.03 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 1p1j n THR 457 Cb 0.14 -1.03 0.28 0.00 -2.10 0.00 0.00 70.33 67.62 1p1j n THR 457 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p1j n ARG 458 N -1.95 2.66 -4.49 -0.78 1.74 -0.55 -4.93 116.66 108.35 1p1j n ARG 458 Ca 0.03 -2.50 -0.34 0.00 -0.77 0.00 0.00 57.85 54.27 1p1j n ARG 458 Cb 0.23 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 1p1j n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p1j s VAL 459 N -1.13 3.80 0.18 1.55 1.01 -0.95 -0.95 120.40 123.91 1p1j s VAL 459 Ca 0.44 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1p1j s VAL 459 Cb 0.24 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1p1j s VAL 459 CO 0.31 0.53 0.08 -0.94 0.00 0.00 0.00 175.10 175.09 1p1j s SER 460 N 0.01 0.44 0.17 3.32 1.04 -0.44 -4.38 113.70 113.86 1p1j s SER 460 Ca -0.00 -1.30 -0.24 0.00 0.48 0.00 0.00 55.95 54.89 1p1j s SER 460 Cb -0.13 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1p1j s SER 460 CO 0.03 -0.76 0.78 -0.72 0.98 0.00 0.00 173.24 173.55 1p1j s TYR 461 N -4.02 -0.29 -0.01 5.02 -0.85 -0.19 -0.24 117.35 116.77 1p1j s TYR 461 Ca 0.32 -0.02 -0.16 0.00 -0.52 0.00 0.00 57.07 56.69 1p1j s TYR 461 Cb 0.07 0.63 0.03 0.00 0.38 0.00 0.00 41.96 43.06 1p1j s TYR 461 CO 0.07 -0.93 0.33 -1.59 -1.52 0.00 0.00 175.55 171.92 1p1j s LYS 462 N -3.59 0.70 0.40 -3.49 -2.85 -0.79 -0.53 119.74 109.60 1p1j s LYS 462 Ca 0.08 -0.19 -0.23 0.00 -1.00 0.00 0.00 55.97 54.63 1p1j s LYS 462 Cb -0.03 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.95 1p1j s LYS 462 CO -0.02 -0.20 0.96 0.15 0.10 0.00 0.00 175.35 176.35 1p1j s LYS 463 N -1.42 4.30 -0.31 1.78 1.02 -1.26 -1.41 119.74 122.44 1p1j s LYS 463 Ca -0.13 1.24 -0.01 0.00 0.02 0.00 0.00 55.97 57.09 1p1j s LYS 463 Cb -0.05 -2.40 0.13 0.00 -0.52 0.00 0.00 37.83 34.98 1p1j s LYS 463 CO 0.04 0.03 0.22 0.14 -0.92 0.00 0.00 175.35 174.86 1p1j s VAL 464 N -1.94 -0.16 0.00 3.17 -7.23 -0.48 -4.88 120.40 108.88 1p1j s VAL 464 Ca 0.58 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1p1j s VAL 464 Cb -0.14 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.83 1p1j s VAL 464 CO 0.18 -0.69 0.00 2.29 -0.31 0.00 0.00 175.10 176.57 1p1j n LYS 473 N 4.90 0.00 -2.62 4.82 2.85 -1.26 -4.20 118.16 122.66 1p1j n LYS 473 Ca 0.01 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 1p1j n LYS 473 Cb 0.43 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.76 1p1j n LYS 473 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1p1j s PHE 474 N 0.00 3.38 0.15 5.58 0.08 -1.26 -4.67 117.98 121.24 1p1j s PHE 474 Ca 0.00 1.68 0.05 0.00 0.12 0.00 0.00 56.93 58.77 1p1j s PHE 474 Cb 0.00 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1p1j s PHE 474 CO 0.00 -0.39 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.41 1p1j s GLU 475 N -2.41 1.07 0.58 0.44 2.02 0.31 -4.85 118.70 115.86 1p1j s GLU 475 Ca 0.56 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 54.10 1p1j s GLU 475 Cb -0.21 -0.68 0.04 0.00 0.10 0.00 0.00 34.13 33.38 1p1j s GLU 475 CO 0.26 0.09 0.82 -0.80 0.02 0.00 0.00 175.26 175.65 1p1j s ASN 476 N -3.10 5.23 0.80 -0.19 0.01 -1.26 -1.02 114.94 115.40 1p1j s ASN 476 Ca 0.16 0.14 -0.14 0.00 -0.71 0.00 0.00 52.86 52.31 1p1j s ASN 476 Cb 0.02 -1.00 0.03 0.00 0.41 0.00 0.00 41.25 40.71 1p1j s ASN 476 CO 0.01 -1.21 0.86 0.49 -1.51 0.00 0.00 177.10 175.75 1p1j n PHE 477 N -2.46 0.19 -1.79 2.20 3.01 -1.26 -4.88 117.46 112.47 1p1j n PHE 477 Ca 0.07 0.36 -0.42 0.00 1.01 0.00 0.00 57.45 58.48 1p1j n PHE 477 Cb 0.60 -2.00 -0.02 0.00 -0.01 0.00 0.00 39.48 38.05 1p1j n PHE 477 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1p1j s TYR 478 N -2.07 2.80 0.20 1.38 5.04 -1.26 -4.84 117.35 118.60 1p1j s TYR 478 Ca 0.69 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 1p1j s TYR 478 Cb -0.30 -4.06 0.45 0.00 0.35 0.00 0.00 41.96 38.41 1p1j s TYR 478 CO 0.55 -3.62 1.05 -2.30 -1.34 0.00 0.00 175.55 169.89 1p1j n PRO 479 N 2.48 -0.06 -2.43 4.97 -0.02 -1.26 -4.10 135.00 134.57 1p1j n PRO 479 Ca 0.09 1.02 -0.43 0.00 -2.02 0.00 0.00 63.50 62.16 1p1j n PRO 479 Cb 0.37 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 1p1j n PRO 479 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p1j s VAL 480 N -5.64 3.96 -1.32 -1.45 1.01 -1.26 -1.53 120.40 114.16 1p1j s VAL 480 Ca -0.09 0.94 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1p1j s VAL 480 Cb 0.19 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1p1j s VAL 480 CO 0.52 -0.94 1.81 0.18 0.00 0.00 0.00 175.10 176.67 1p1j n LEU 481 N 8.73 5.24 0.11 3.92 4.77 -0.81 -4.78 117.00 134.18 1p1j n LEU 481 Ca 0.14 -3.96 0.09 0.00 -0.03 0.00 0.00 56.01 52.25 1p1j n LEU 481 Cb 0.49 -1.73 0.44 0.00 -2.33 0.00 0.00 43.42 40.28 1p1j n LEU 481 CO 0.71 0.31 0.79 0.35 -1.33 0.00 0.00 177.39 178.21 1p1j n THR 482 N 6.17 1.07 0.27 -5.08 -2.24 -1.26 -1.83 114.28 111.38 1p1j n THR 482 Ca 0.49 0.44 0.14 0.00 -2.27 0.00 0.00 64.05 62.85 1p1j n THR 482 Cb 0.45 -1.38 0.68 0.00 -2.10 0.00 0.00 70.33 67.98 1p1j n THR 482 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1p1j h PHE 483 N 0.00 0.00 -0.22 4.78 0.05 -1.98 -1.41 116.94 118.15 1p1j h PHE 483 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1p1j h PHE 483 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 1p1j h PHE 483 CO 0.00 0.00 0.00 1.28 -0.18 0.00 0.00 178.31 179.41 1p1j n LEU 484 N -2.47 1.77 -0.14 1.54 4.77 -0.76 -4.39 117.00 117.30 1p1j n LEU 484 Ca -0.01 -0.78 0.22 0.00 -0.03 0.00 0.00 56.01 55.41 1p1j n LEU 484 Cb 0.12 -0.14 0.62 0.00 -2.33 0.00 0.00 43.42 41.69 1p1j n LEU 484 CO 0.16 0.39 1.22 0.28 -1.33 0.00 0.00 177.39 178.11 1p1j h SER 485 N 2.23 0.17 -0.89 -1.43 0.02 -1.47 -1.70 113.55 110.49 1p1j h SER 485 Ca 0.00 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.18 1p1j h SER 485 Cb 0.49 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1p1j h SER 485 CO 0.00 0.08 0.60 0.22 -1.14 0.00 0.00 176.83 176.58 1p1j h TYR 486 N 0.17 0.41 -0.15 3.45 3.20 -1.84 -1.30 116.97 120.91 1p1j h TYR 486 Ca 0.38 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1p1j h TYR 486 Cb 1.24 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1p1j h TYR 486 CO -0.00 0.10 0.00 0.91 -1.64 0.00 0.00 178.16 177.53 1p1j n TRP 487 N -4.46 0.17 -4.83 -3.82 8.01 -0.64 -4.83 117.44 107.04 1p1j n TRP 487 Ca 0.19 -0.08 -0.26 0.00 -1.31 0.00 0.00 57.50 56.03 1p1j n TRP 487 Cb 0.75 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.90 1p1j n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1p1j s LEU 488 N -1.81 2.09 0.00 -0.99 1.43 -0.49 -0.48 118.68 118.43 1p1j s LEU 488 Ca 0.33 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 1p1j s LEU 488 Cb 0.21 -1.00 -0.18 0.00 0.03 0.00 0.00 46.19 45.25 1p1j s LEU 488 CO 0.31 0.21 1.31 0.11 0.23 0.00 0.00 176.35 178.52 1p1j h LYS 489 N 5.32 0.13 -3.24 1.70 1.57 -0.16 -3.39 116.57 118.50 1p1j h LYS 489 Ca -0.40 -0.07 -0.63 0.00 -1.87 0.00 0.00 60.65 57.68 1p1j h LYS 489 Cb 1.15 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.05 1p1j h LYS 489 CO 0.46 0.56 -0.61 0.00 -0.57 0.00 0.00 179.45 179.29 1p1j s ALA 490 N -4.35 3.48 0.00 3.86 0.00 -1.04 -4.60 121.76 119.11 1p1j s ALA 490 Ca -0.15 -3.49 -0.35 0.00 0.00 0.00 0.00 51.96 47.97 1p1j s ALA 490 Cb 0.03 -2.15 -0.13 0.00 0.00 0.00 0.00 23.12 20.87 1p1j s ALA 490 CO 0.70 -2.05 1.73 -2.30 0.00 0.00 0.00 175.76 173.84 1p1j n PRO 491 N 2.63 2.04 -2.23 0.00 -0.02 -1.26 -4.52 135.00 131.65 1p1j n PRO 491 Ca 0.11 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.95 1p1j n PRO 491 Cb 0.33 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1p1j n PRO 491 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1p1j s LEU 492 N 2.66 4.20 0.24 2.45 1.98 -1.23 -4.80 118.68 124.19 1p1j s LEU 492 Ca 0.87 2.43 0.04 0.00 -2.89 0.00 0.00 54.13 54.58 1p1j s LEU 492 Cb -0.73 -3.99 -0.05 0.00 0.66 0.00 0.00 46.19 42.08 1p1j s LEU 492 CO 0.47 -0.72 -0.01 0.42 -1.89 0.00 0.00 176.35 174.62 1p1j s THR 493 N -1.37 1.11 0.23 3.68 -4.23 -1.26 -4.76 115.64 109.04 1p1j s THR 493 Ca 0.57 -2.04 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 1p1j s THR 493 Cb -0.33 -2.39 -0.09 0.00 1.34 0.00 0.00 72.50 71.04 1p1j s THR 493 CO 0.41 -0.30 1.12 -0.60 -0.54 0.00 0.00 174.62 174.71 1p1j s ARG 494 N -3.85 4.60 -0.09 3.99 3.52 -1.26 -4.91 118.95 120.95 1p1j s ARG 494 Ca 0.29 1.79 -0.41 0.00 -0.13 0.00 0.00 55.73 57.27 1p1j s ARG 494 Cb 0.06 -3.23 -0.19 0.00 -1.56 0.00 0.00 34.95 30.02 1p1j s ARG 494 CO 0.10 0.11 1.24 -2.30 -0.81 0.00 0.00 175.30 173.64 1p1j n PRO 495 N 1.85 0.26 0.00 5.12 -0.02 -1.26 -0.77 135.00 140.18 1p1j n PRO 495 Ca 0.01 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1p1j n PRO 495 Cb 0.45 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1p1j n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p1j n GLY 496 N 2.25 3.03 3.78 -1.23 0.00 -1.26 -5.03 105.19 106.74 1p1j n GLY 496 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1p1j n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1j s PHE 497 N -2.04 3.84 0.07 1.61 0.08 0.05 -5.07 117.98 116.51 1p1j s PHE 497 Ca 0.00 1.45 -0.10 0.00 0.12 0.00 0.00 56.93 58.40 1p1j s PHE 497 Cb 0.00 -2.67 -0.06 0.00 -0.57 0.00 0.00 43.02 39.73 1p1j s PHE 497 CO 0.00 0.50 0.40 -1.01 -0.10 0.00 0.00 175.22 175.01 1p1j s HIS 498 N -0.93 3.60 0.65 0.36 3.76 -1.26 -4.61 115.29 116.86 1p1j s HIS 498 Ca 0.33 0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 55.93 1p1j s HIS 498 Cb -0.21 -2.17 -0.01 0.00 1.11 0.00 0.00 32.58 31.29 1p1j s HIS 498 CO 0.23 0.53 1.05 -1.25 -0.85 0.00 0.00 174.74 174.45 1p1j s PRO 499 N -1.81 3.16 -0.20 8.40 0.04 -1.26 -5.04 135.00 138.29 1p1j s PRO 499 Ca 0.32 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.38 1p1j s PRO 499 Cb -0.14 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1p1j s PRO 499 CO 0.17 -0.92 -0.15 0.08 0.04 0.00 0.00 177.00 176.22 1p1j s VAL 500 N -2.86 1.93 -0.68 -0.36 1.01 -1.26 -4.81 120.40 113.38 1p1j s VAL 500 Ca 0.59 -1.07 0.22 0.00 0.00 0.00 0.00 61.98 61.73 1p1j s VAL 500 Cb -0.14 -1.87 -0.17 0.00 0.00 0.00 0.00 36.38 34.20 1p1j s VAL 500 CO 0.48 0.33 0.94 0.59 0.00 0.00 0.00 175.10 177.44 1p1j n ASN 501 N 4.61 0.64 -4.67 3.32 3.02 -1.26 -4.90 115.26 116.02 1p1j n ASN 501 Ca -0.18 -0.43 -0.46 0.00 -0.03 0.00 0.00 54.58 53.49 1p1j n ASN 501 Cb 0.48 0.99 -0.04 0.00 -0.61 0.00 0.00 39.78 40.60 1p1j n ASN 501 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p1j n GLY 502 N 1.40 1.57 0.12 7.41 0.00 -1.26 -4.83 105.19 109.61 1p1j n GLY 502 Ca 0.02 0.85 -0.07 0.00 0.00 0.00 0.00 46.02 46.81 1p1j n GLY 502 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p1j h LEU 503 N 10.07 -0.07 -0.97 0.99 5.85 -1.82 -1.58 115.31 127.77 1p1j h LEU 503 Ca -0.48 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1p1j h LEU 503 Cb 1.26 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 1p1j h LEU 503 CO 0.95 -0.01 0.65 0.78 -0.34 0.00 0.00 178.44 180.47 1p1j h ASN 504 N 0.10 1.11 -0.03 1.25 -0.26 -1.90 -0.18 115.58 115.67 1p1j h ASN 504 Ca 0.12 -0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.74 1p1j h ASN 504 Cb 0.15 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 1p1j h ASN 504 CO -0.20 0.80 -0.26 0.11 -1.06 0.00 0.00 177.43 176.83 1p1j h LYS 505 N 1.32 0.46 -0.36 0.81 1.57 -1.88 0.40 116.57 118.88 1p1j h LYS 505 Ca 0.36 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1p1j h LYS 505 Cb -0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1p1j h LYS 505 CO -0.08 0.68 -0.24 1.96 -0.57 0.00 0.00 179.45 181.21 1p1j h GLN 506 N 0.41 0.71 -0.02 3.15 4.20 -0.31 -1.07 115.11 122.17 1p1j h GLN 506 Ca 0.06 -0.29 -0.22 0.00 0.06 0.00 0.00 58.65 58.26 1p1j h GLN 506 Cb 0.67 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1p1j h GLN 506 CO 0.05 0.88 -0.91 -0.09 -0.67 0.00 0.00 178.83 178.09 1p1j h ARG 507 N 0.62 0.45 -0.82 1.46 2.43 -0.74 -3.08 114.38 114.69 1p1j h ARG 507 Ca 0.09 -0.46 0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1p1j h ARG 507 Cb 0.73 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1p1j h ARG 507 CO 0.06 1.11 0.54 1.15 -1.51 0.00 0.00 179.97 181.31 1p1j h THR 508 N 0.26 1.17 -0.33 0.20 2.02 -0.69 0.30 112.91 115.85 1p1j h THR 508 Ca -0.08 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.77 1p1j h THR 508 Cb 1.54 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1p1j h THR 508 CO 0.16 0.20 0.11 0.00 0.37 0.00 0.00 175.52 176.35 1p1j h ALA 509 N 1.32 0.37 -0.44 6.16 0.00 -1.16 0.37 119.26 125.88 1p1j h ALA 509 Ca 0.31 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1p1j h ALA 509 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1p1j h ALA 509 CO -0.09 -0.29 0.11 -0.07 0.00 0.00 0.00 179.25 178.91 1p1j h LEU 510 N 0.24 0.67 -0.08 0.00 3.38 -1.36 -2.01 115.31 116.16 1p1j h LEU 510 Ca 0.15 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1p1j h LEU 510 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1p1j h LEU 510 CO -0.16 0.72 -0.01 -0.08 0.09 0.00 0.00 178.44 179.01 1p1j h GLU 511 N 0.58 0.02 0.00 1.13 4.81 -0.52 -1.81 114.58 118.79 1p1j h GLU 511 Ca 0.14 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1p1j h GLU 511 Cb 0.31 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1p1j h GLU 511 CO 0.00 0.01 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.19 1p1j h ASN 512 N 0.02 0.00 -0.07 1.04 2.35 -0.88 -1.00 115.58 117.03 1p1j h ASN 512 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1p1j h ASN 512 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1p1j h ASN 512 CO -0.07 0.20 -0.07 0.15 -1.65 0.00 0.00 177.43 175.99 1p1j h PHE 513 N 0.00 0.21 -0.83 1.19 -0.00 -0.84 -1.04 116.94 115.64 1p1j h PHE 513 Ca -0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.97 57.88 1p1j h PHE 513 Cb 0.53 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.95 36.39 1p1j h PHE 513 CO 0.00 0.61 0.42 -0.07 -0.00 0.00 0.00 178.31 179.27 1p1j h LEU 514 N -0.25 1.06 -0.27 0.59 3.38 -1.08 -2.60 115.31 116.15 1p1j h LEU 514 Ca 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1p1j h LEU 514 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1p1j h LEU 514 CO 0.02 0.88 0.16 0.03 0.09 0.00 0.00 178.44 179.62 1p1j h ARG 515 N 1.16 0.37 0.00 1.13 3.08 -1.09 -2.85 114.38 116.18 1p1j h ARG 515 Ca 0.29 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 1p1j h ARG 515 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1p1j h ARG 515 CO -0.04 0.30 -0.28 1.37 -1.07 0.00 0.00 179.97 180.25 1p1j h LEU 516 N 0.33 0.00 -1.74 3.04 8.10 -1.03 0.13 115.31 124.14 1p1j h LEU 516 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.06 1p1j h LEU 516 Cb 0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1p1j h LEU 516 CO -0.02 0.28 -0.14 -0.07 -4.11 0.00 0.00 178.44 174.38 1p1j h LEU 517 N 0.00 0.00 -3.32 0.17 3.38 -1.23 -1.97 115.31 112.35 1p1j h LEU 517 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p1j h LEU 517 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1p1j h LEU 517 CO 0.04 0.14 0.00 2.30 0.09 0.00 0.00 178.44 181.01 1p1j n ILE 518 N -3.55 2.31 -0.99 1.22 -5.35 -0.79 -4.80 119.36 107.42 1p1j n ILE 518 Ca -0.01 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.84 1p1j n ILE 518 Cb 0.28 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 1p1j n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p1j n GLY 519 N 0.03 0.42 3.76 3.28 0.00 -0.74 -4.73 105.19 107.21 1p1j n GLY 519 Ca 0.23 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1p1j n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1j s LEU 520 N 0.00 3.89 1.01 0.99 1.43 0.37 -4.97 118.68 121.40 1p1j s LEU 520 Ca 0.00 0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 1p1j s LEU 520 Cb 0.00 -2.03 0.20 0.00 0.03 0.00 0.00 46.19 44.39 1p1j s LEU 520 CO 0.00 0.35 1.20 -2.16 0.23 0.00 0.00 176.35 175.97 1p1j s PRO 521 N -1.19 0.33 0.66 1.29 0.04 -1.26 -2.86 135.00 132.00 1p1j s PRO 521 Ca 0.17 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.96 1p1j s PRO 521 Cb -0.12 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1p1j s PRO 521 CO 0.06 -2.68 1.23 -1.12 0.04 0.00 0.00 177.00 174.53 1p1j s SER 522 N -4.33 4.69 0.24 6.66 0.01 -1.26 -4.82 113.70 114.89 1p1j s SER 522 Ca 0.69 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 60.08 1p1j s SER 522 Cb -0.09 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 1p1j s SER 522 CO 0.54 -1.93 1.33 -1.10 0.41 0.00 0.00 173.24 172.48 1p1j s GLN 523 N -3.57 4.37 0.00 12.44 -1.52 -1.26 -4.90 119.66 125.21 1p1j s GLN 523 Ca 0.77 2.13 0.00 0.00 -1.95 0.00 0.00 55.36 56.32 1p1j s GLN 523 Cb -0.31 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.33 1p1j s GLN 523 CO 0.39 -0.25 0.00 0.27 -0.25 0.00 0.00 175.29 175.45 1p1j n ASN 524 N 2.08 2.47 -1.27 5.90 0.23 -1.26 -5.02 115.26 118.40 1p1j n ASN 524 Ca 0.05 -0.18 -0.15 0.00 -0.53 0.00 0.00 54.58 53.77 1p1j n ASN 524 Cb 0.42 0.85 -0.06 0.00 -2.08 0.00 0.00 39.78 38.91 1p1j n ASN 524 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p1j n GLU 525 N -1.10 -1.49 0.15 -3.83 -0.58 -1.26 -4.84 120.64 107.68 1p1j n GLU 525 Ca 0.00 0.95 -0.00 0.00 -0.42 0.00 0.00 57.16 57.69 1p1j n GLU 525 Cb 0.00 -5.26 0.21 0.00 -0.57 0.00 0.00 31.44 25.82 1p1j n GLU 525 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1p1j h LEU 526 N 0.00 0.00 -2.37 -4.62 3.38 -2.00 -3.47 115.31 106.23 1p1j h LEU 526 Ca -0.31 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.08 1p1j h LEU 526 Cb 1.11 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 1p1j h LEU 526 CO 0.45 0.57 -0.96 0.54 0.09 0.00 0.00 178.44 179.13 1p1j n ARG 527 N -3.81 -1.37 0.30 1.13 1.74 -1.26 -4.74 116.66 108.65 1p1j n ARG 527 Ca -0.01 0.17 0.20 0.00 -0.77 0.00 0.00 57.85 57.44 1p1j n ARG 527 Cb 0.58 -3.65 0.98 0.00 -1.02 0.00 0.00 32.46 29.35 1p1j n ARG 527 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1p1j h PHE 528 N -1.94 0.00 -0.11 -1.55 0.05 -1.97 -1.28 116.94 110.14 1p1j h PHE 528 Ca -0.66 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.11 1p1j h PHE 528 Cb 1.39 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.34 1p1j h PHE 528 CO 0.48 0.00 -0.02 0.93 -0.18 0.00 0.00 178.31 179.52 1p1j h GLU 529 N 0.00 0.16 0.01 1.51 3.07 -1.87 -1.96 114.58 115.50 1p1j h GLU 529 Ca 0.00 -0.02 -0.40 0.00 -0.50 0.00 0.00 59.36 58.43 1p1j h GLU 529 Cb 0.19 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.00 1p1j h GLU 529 CO 0.00 0.20 -2.45 -1.91 -1.40 0.00 0.00 179.01 173.45 1p1j n GLU 530 N -4.41 0.64 0.14 2.33 2.13 -0.58 -4.62 120.64 116.26 1p1j n GLU 530 Ca -0.01 0.19 -0.01 0.00 0.66 0.00 0.00 57.16 57.98 1p1j n GLU 530 Cb 0.16 -1.53 0.17 0.00 0.27 0.00 0.00 31.44 30.52 1p1j n GLU 530 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p1j h ARG 531 N -0.24 0.00 -6.11 5.31 3.08 -1.32 -3.44 114.38 111.66 1p1j h ARG 531 Ca -0.60 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 58.90 1p1j h ARG 531 Cb 1.83 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.84 1p1j h ARG 531 CO -0.16 0.61 -0.50 -0.51 -1.07 0.00 0.00 179.97 178.34 1p1j s LEU 532 N -7.61 4.15 0.00 3.04 1.43 -0.74 -5.05 118.68 113.90 1p1j s LEU 532 Ca -0.01 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1p1j s LEU 532 Cb 0.13 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1p1j s LEU 532 CO 0.76 0.05 0.43 0.18 0.23 0.00 0.00 176.35 178.00