#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkf s SER 11 N 0.00 0.49 -0.10 8.00 0.15 -1.26 -4.80 113.70 116.18 1jkf s SER 11 Ca 0.00 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 55.88 1jkf s SER 11 Cb 0.00 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1jkf s SER 11 CO 0.00 -0.45 -0.13 -0.69 1.20 0.00 0.00 173.24 173.18 1jkf s VAL 12 N -2.80 1.30 -0.29 4.45 1.01 -1.26 -4.98 120.40 117.84 1jkf s VAL 12 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1jkf s VAL 12 Cb -0.00 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.25 1jkf s VAL 12 CO -0.05 0.40 0.05 -0.75 0.00 0.00 0.00 175.10 174.75 1jkf s LYS 13 N 1.07 1.07 -0.20 2.72 2.47 -1.26 -4.95 119.74 120.66 1jkf s LYS 13 Ca -0.06 -1.15 -0.16 0.00 -1.56 0.00 0.00 55.97 53.04 1jkf s LYS 13 Cb -0.15 -2.39 -0.04 0.00 -1.46 0.00 0.00 37.83 33.80 1jkf s LYS 13 CO -0.02 -0.85 0.40 0.54 0.16 0.00 0.00 175.35 175.58 1jkf s VAL 14 N 1.45 5.20 -1.04 4.02 0.11 -1.26 -5.02 120.40 123.86 1jkf s VAL 14 Ca 0.05 0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 59.59 1jkf s VAL 14 Cb -0.18 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 30.99 1jkf s VAL 14 CO -0.16 0.25 1.47 0.68 -3.33 0.00 0.00 175.10 174.02 1jkf s VAL 15 N 1.30 3.94 0.22 2.04 -7.23 -1.26 -4.92 120.40 114.49 1jkf s VAL 15 Ca 0.19 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1jkf s VAL 15 Cb -0.15 -5.07 -0.01 0.00 0.56 0.00 0.00 36.38 31.71 1jkf s VAL 15 CO 0.08 -1.95 0.10 1.07 -0.31 0.00 0.00 175.10 174.09 1jkf n THR 16 N 6.85 0.00 -0.64 5.32 5.66 -1.26 -5.06 114.28 125.15 1jkf n THR 16 Ca 0.34 -1.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 1jkf n THR 16 Cb 0.51 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 1jkf n THR 16 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1jkf n ASP 17 N -1.85 0.66 -0.05 1.09 5.68 -1.26 -4.62 116.55 116.20 1jkf n ASP 17 Ca -0.02 -1.30 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 1jkf n ASP 17 Cb 0.34 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.70 1jkf n ASP 17 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jkf n LYS 18 N -0.15 0.20 -4.02 0.11 5.02 -1.26 -4.77 118.16 113.29 1jkf n LYS 18 Ca 0.00 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.85 1jkf n LYS 18 Cb 0.37 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.73 1jkf n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jkf s THR 20 N 1.36 2.61 -0.44 0.00 2.01 -0.20 -4.98 115.64 116.00 1jkf s THR 20 Ca 0.04 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.12 1jkf s THR 20 Cb -0.14 -2.05 0.10 0.00 0.01 0.00 0.00 72.50 70.42 1jkf s THR 20 CO -0.08 0.55 0.30 -0.31 -0.69 0.00 0.00 174.62 174.39 1jkf s TYR 21 N 0.24 3.38 0.00 4.92 2.02 -1.26 -1.21 117.35 125.43 1jkf s TYR 21 Ca -0.12 -1.67 0.00 0.00 -0.37 0.00 0.00 57.07 54.91 1jkf s TYR 21 Cb -0.16 -3.22 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 1jkf s TYR 21 CO 0.06 -0.92 0.00 1.17 -1.57 0.00 0.00 175.55 174.30 1jkf n LYS 22 N 4.92 0.00 -3.46 -0.62 3.00 -0.71 -4.95 118.16 116.33 1jkf n LYS 22 Ca -0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.10 1jkf n LYS 22 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.35 1jkf n LYS 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jkf s ASP 23 N -1.72 0.48 -1.45 3.14 3.68 -1.26 -4.81 116.67 114.73 1jkf s ASP 23 Ca 0.00 0.25 -0.08 0.00 2.13 0.00 0.00 52.55 54.86 1jkf s ASP 23 Cb 0.00 0.90 0.02 0.00 -1.45 0.00 0.00 42.92 42.39 1jkf s ASP 23 CO 0.00 -0.29 0.93 0.59 0.13 0.00 0.00 175.17 176.53 1jkf n ASN 24 N 5.35 -6.07 -3.29 -0.34 5.03 -1.26 -4.95 115.26 109.73 1jkf n ASN 24 Ca -0.05 -0.46 0.03 0.00 0.87 0.00 0.00 54.58 54.97 1jkf n ASN 24 Cb 0.50 -4.83 -0.02 0.00 -1.02 0.00 0.00 39.78 34.41 1jkf n ASN 24 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1jkf s GLU 25 N -6.11 0.45 -0.14 3.52 2.56 -1.26 -3.14 118.70 114.57 1jkf s GLU 25 Ca 0.49 0.92 -0.03 0.00 0.00 0.00 0.00 54.97 56.35 1jkf s GLU 25 Cb -0.22 0.53 -0.03 0.00 2.00 0.00 0.00 34.13 36.41 1jkf s GLU 25 CO 0.60 -0.37 -0.04 -1.17 -0.56 0.00 0.00 175.26 173.72 1jkf s LEU 26 N 2.83 3.25 -0.13 2.70 2.96 -0.75 -1.74 118.68 127.80 1jkf s LEU 26 Ca 0.07 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1jkf s LEU 26 Cb -0.12 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1jkf s LEU 26 CO -0.18 0.21 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.18 1jkf s LEU 27 N 0.12 2.81 -0.01 -0.68 1.43 -0.35 0.25 118.68 122.24 1jkf s LEU 27 Ca -0.01 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1jkf s LEU 27 Cb -0.14 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1jkf s LEU 27 CO 0.03 0.18 -0.13 -0.89 0.23 0.00 0.00 176.35 175.77 1jkf s THR 28 N 0.26 1.04 -0.22 5.49 2.01 -0.12 -1.03 115.64 123.07 1jkf s THR 28 Ca -0.08 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1jkf s THR 28 Cb -0.15 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1jkf s THR 28 CO 0.05 0.30 0.13 -0.75 -0.69 0.00 0.00 174.62 173.66 1jkf s LYS 29 N -0.23 4.03 -0.02 4.92 2.20 0.62 0.34 119.74 131.61 1jkf s LYS 29 Ca 0.03 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1jkf s LYS 29 Cb -0.06 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1jkf s LYS 29 CO -0.00 0.11 -0.02 -0.47 -0.36 0.00 0.00 175.35 174.61 1jkf s TYR 30 N 0.87 0.36 -0.48 4.03 6.14 -0.51 -4.86 117.35 122.91 1jkf s TYR 30 Ca 0.07 -0.05 -0.13 0.00 0.64 0.00 0.00 57.07 57.59 1jkf s TYR 30 Cb -0.13 -0.34 0.09 0.00 0.42 0.00 0.00 41.96 42.01 1jkf s TYR 30 CO 0.03 -0.07 0.38 0.45 0.64 0.00 0.00 175.55 176.98 1jkf s SER 31 N 0.47 5.99 -0.90 4.32 0.15 -1.26 -1.58 113.70 120.89 1jkf s SER 31 Ca -0.05 -1.55 -0.23 0.00 0.70 0.00 0.00 55.95 54.82 1jkf s SER 31 Cb -0.08 -2.13 0.06 0.00 -1.71 0.00 0.00 66.02 62.16 1jkf s SER 31 CO -0.01 -0.68 1.32 -0.47 1.20 0.00 0.00 173.24 174.60 1jkf s TYR 32 N 1.55 2.56 0.04 3.44 6.04 -0.99 -4.95 117.35 125.03 1jkf s TYR 32 Ca 0.04 -0.68 -0.24 0.00 0.04 0.00 0.00 57.07 56.23 1jkf s TYR 32 Cb -0.26 -4.59 -0.06 0.00 -1.04 0.00 0.00 41.96 36.02 1jkf s TYR 32 CO 0.04 -1.89 0.72 -1.21 -1.54 0.00 0.00 175.55 171.67 1jkf s GLU 33 N 4.79 4.45 0.00 4.97 2.02 -1.26 -2.91 118.70 130.76 1jkf s GLU 33 Ca 0.39 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1jkf s GLU 33 Cb -0.04 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1jkf s GLU 33 CO -0.02 0.33 0.00 -1.71 0.02 0.00 0.00 175.26 173.89 1jkf n ASN 34 N 2.68 0.00 -3.57 -0.19 5.15 0.73 -4.98 115.26 115.08 1jkf n ASN 34 Ca -0.04 -0.45 -0.16 0.00 -0.60 0.00 0.00 54.58 53.33 1jkf n ASN 34 Cb 0.50 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.69 1jkf n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jkf s ALA 35 N -1.34 -1.67 -0.04 5.20 0.00 -1.26 -0.20 121.76 122.44 1jkf s ALA 35 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.43 1jkf s ALA 35 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1jkf s ALA 35 CO 0.00 -0.35 -0.19 0.08 0.00 0.00 0.00 175.76 175.31 1jkf s VAL 36 N -0.75 2.69 0.10 0.00 1.01 -1.00 -4.93 120.40 117.52 1jkf s VAL 36 Ca -0.08 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1jkf s VAL 36 Cb -0.02 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1jkf s VAL 36 CO 0.07 0.59 -0.10 0.68 0.00 0.00 0.00 175.10 176.34 1jkf s VAL 37 N -0.66 0.93 -0.35 2.92 -7.23 -1.26 -0.24 120.40 114.52 1jkf s VAL 37 Ca 0.10 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1jkf s VAL 37 Cb -0.11 -1.37 0.14 0.00 0.56 0.00 0.00 36.38 35.61 1jkf s VAL 37 CO 0.00 -0.57 0.26 0.28 -0.31 0.00 0.00 175.10 174.76 1jkf s THR 38 N -2.49 -0.04 0.40 5.32 -1.32 -0.53 -4.94 115.64 112.04 1jkf s THR 38 Ca 0.06 -1.40 -0.25 0.00 -1.21 0.00 0.00 61.69 58.89 1jkf s THR 38 Cb -0.03 -0.96 -0.08 0.00 -1.51 0.00 0.00 72.50 69.93 1jkf s THR 38 CO -0.00 -0.83 1.22 -0.75 -2.21 0.00 0.00 174.62 172.05 1jkf s LYS 39 N 1.27 4.01 0.27 7.08 2.20 -1.26 -3.79 119.74 129.51 1jkf s LYS 39 Ca 0.17 1.96 -0.11 0.00 -0.36 0.00 0.00 55.97 57.63 1jkf s LYS 39 Cb -0.20 -2.70 -0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1jkf s LYS 39 CO -0.03 -0.40 0.49 0.95 -0.36 0.00 0.00 175.35 176.00 1jkf s THR 40 N -1.35 0.00 0.00 3.43 -4.23 -1.24 -5.01 115.64 107.24 1jkf s THR 40 Ca 0.57 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1jkf s THR 40 Cb -0.34 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1jkf s THR 40 CO 0.42 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.50 1jkf n ALA 41 N -0.41 -0.23 0.00 3.99 0.00 -1.26 -4.30 120.51 118.29 1jkf n ALA 41 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1jkf n ALA 41 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1jkf n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jkf n SER 42 N 0.35 0.00 -3.76 0.00 2.88 -1.26 -4.59 113.62 107.23 1jkf n SER 42 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1jkf n SER 42 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1jkf n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jkf n GLY 43 N 0.00 4.64 2.82 0.46 0.00 -1.26 -5.01 105.19 106.84 1jkf n GLY 43 Ca 0.00 -2.69 -0.17 0.00 0.00 0.00 0.00 46.02 43.16 1jkf n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jkf s ARG 44 N -2.18 0.04 -0.27 1.61 3.52 -1.26 -5.09 118.95 115.32 1jkf s ARG 44 Ca 0.33 0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 56.34 1jkf s ARG 44 Cb 0.05 -0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.03 1jkf s ARG 44 CO -0.03 -0.33 0.23 -0.06 -0.81 0.00 0.00 175.30 174.29 1jkf s PHE 45 N 2.29 3.24 -0.38 5.12 0.40 -1.26 -3.62 117.98 123.76 1jkf s PHE 45 Ca 0.03 0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.41 1jkf s PHE 45 Cb -0.12 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 41.00 1jkf s PHE 45 CO -0.06 -0.15 0.30 -0.51 0.70 0.00 0.00 175.22 175.50 1jkf s ASP 46 N 1.66 6.11 -0.18 1.36 1.01 -1.25 -4.91 116.67 120.47 1jkf s ASP 46 Ca 0.09 -0.64 -0.06 0.00 0.71 0.00 0.00 52.55 52.65 1jkf s ASP 46 Cb -0.16 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1jkf s ASP 46 CO 0.10 -0.38 0.02 0.54 0.21 0.00 0.00 175.17 175.66 1jkf s VAL 47 N 1.79 4.33 -0.35 -1.27 0.11 -1.26 -1.46 120.40 122.30 1jkf s VAL 47 Ca 0.07 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1jkf s VAL 47 Cb -0.18 -2.95 0.08 0.00 -1.53 0.00 0.00 36.38 31.81 1jkf s VAL 47 CO 0.11 0.45 0.08 -0.89 -3.33 0.00 0.00 175.10 171.52 1jkf s THR 48 N 0.61 2.89 0.35 5.04 2.01 0.67 -4.96 115.64 122.25 1jkf s THR 48 Ca 0.01 -1.86 -0.29 0.00 0.31 0.00 0.00 61.69 59.87 1jkf s THR 48 Cb -0.14 -2.88 -0.12 0.00 0.01 0.00 0.00 72.50 69.38 1jkf s THR 48 CO 0.02 -0.42 1.46 -2.65 -0.69 0.00 0.00 174.62 172.34 1jkf n PRO 49 N 4.52 2.53 -4.65 4.92 -0.02 -1.26 -2.38 135.00 138.66 1jkf n PRO 49 Ca -0.06 0.89 -0.27 0.00 -2.02 0.00 0.00 63.50 62.04 1jkf n PRO 49 Cb 0.42 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.17 1jkf n PRO 49 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jkf s THR 50 N -0.86 1.87 0.08 3.45 -4.23 0.72 -4.93 115.64 111.74 1jkf s THR 50 Ca 0.56 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.78 1jkf s THR 50 Cb -0.51 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1jkf s THR 50 CO 0.60 0.21 -0.15 -0.69 -0.54 0.00 0.00 174.62 174.05 1jkf s VAL 51 N -0.87 1.22 -0.30 2.29 1.01 -1.26 -0.19 120.40 122.30 1jkf s VAL 51 Ca 0.09 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 1jkf s VAL 51 Cb -0.09 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.24 1jkf s VAL 51 CO 0.03 -0.22 0.62 -1.58 0.00 0.00 0.00 175.10 173.94 1jkf s GLN 52 N -1.87 0.56 0.13 2.72 2.00 -1.14 -5.02 119.66 117.04 1jkf s GLN 52 Ca 0.00 1.27 -0.17 0.00 -2.00 0.00 0.00 55.36 54.46 1jkf s GLN 52 Cb -0.09 0.72 -0.07 0.00 0.80 0.00 0.00 33.01 34.37 1jkf s GLN 52 CO 0.03 -0.36 0.59 -0.51 -0.50 0.00 0.00 175.29 174.53 1jkf s ASP 53 N 2.87 6.96 0.15 6.67 -0.00 -1.24 -2.35 116.67 129.72 1jkf s ASP 53 Ca 0.04 1.21 0.03 0.00 -0.00 0.00 0.00 52.55 53.83 1jkf s ASP 53 Cb -0.13 -2.34 -0.04 0.00 -0.00 0.00 0.00 42.92 40.41 1jkf s ASP 53 CO -0.19 0.16 -0.05 -0.31 -0.00 0.00 0.00 175.17 174.77 1jkf s TYR 54 N -1.33 1.17 -0.11 4.23 1.51 -0.61 -0.10 117.35 122.10 1jkf s TYR 54 Ca 0.35 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1jkf s TYR 54 Cb -0.17 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1jkf s TYR 54 CO 0.19 -0.08 -0.13 0.08 -1.11 0.00 0.00 175.55 174.51 1jkf s VAL 55 N -3.51 1.32 -0.23 0.71 1.01 0.55 -1.43 120.40 118.81 1jkf s VAL 55 Ca 0.18 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1jkf s VAL 55 Cb 0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1jkf s VAL 55 CO 0.01 0.41 0.03 -0.36 0.00 0.00 0.00 175.10 175.19 1jkf s PHE 56 N 1.17 3.05 -0.26 5.22 0.40 0.15 0.95 117.98 128.67 1jkf s PHE 56 Ca -0.04 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.62 1jkf s PHE 56 Cb -0.14 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1jkf s PHE 56 CO -0.03 -0.37 0.33 0.21 0.70 0.00 0.00 175.22 176.05 1jkf s LYS 57 N 1.47 4.03 -0.37 0.44 2.20 0.36 -0.94 119.74 126.93 1jkf s LYS 57 Ca 0.05 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1jkf s LYS 57 Cb -0.15 -3.63 0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1jkf s LYS 57 CO 0.02 -0.20 0.12 -1.17 -0.36 0.00 0.00 175.35 173.76 1jkf s LEU 58 N 1.82 4.95 -0.33 5.43 1.98 0.14 -1.08 118.68 131.60 1jkf s LEU 58 Ca 0.14 -2.07 -0.31 0.00 -2.89 0.00 0.00 54.13 49.00 1jkf s LEU 58 Cb -0.15 -1.72 -0.08 0.00 0.66 0.00 0.00 46.19 44.89 1jkf s LEU 58 CO 0.09 -0.45 2.25 -0.67 -1.89 0.00 0.00 176.35 175.69 1jkf n ASP 59 N 4.42 2.58 0.01 3.68 4.64 0.89 -1.80 116.55 130.97 1jkf n ASP 59 Ca 0.00 0.19 0.07 0.00 -1.38 0.00 0.00 54.79 53.67 1jkf n ASP 59 Cb 0.42 -1.42 0.31 0.00 -1.04 0.00 0.00 41.12 39.38 1jkf n ASP 59 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1jkf n LEU 60 N 11.50 0.07 -4.55 -2.67 4.32 -1.19 -4.68 117.00 119.80 1jkf n LEU 60 Ca 0.37 0.52 -0.43 0.00 -0.02 0.00 0.00 56.01 56.45 1jkf n LEU 60 Cb 0.36 -0.51 -0.05 0.00 -1.62 0.00 0.00 43.42 41.60 1jkf n LEU 60 CO 0.72 -0.31 0.65 -0.75 -1.22 0.00 0.00 177.39 176.48 1jkf s LYS 61 N -3.04 3.45 -0.14 3.23 2.20 -1.26 -4.98 119.74 119.21 1jkf s LYS 61 Ca 0.06 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.57 1jkf s LYS 61 Cb 0.09 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1jkf s LYS 61 CO 0.26 -1.18 0.15 -1.59 -0.36 0.00 0.00 175.35 172.63 1jkf s LYS 62 N 3.51 3.69 0.22 4.03 -2.85 -1.26 -5.05 119.74 122.02 1jkf s LYS 62 Ca 0.33 -0.12 -0.32 0.00 -1.00 0.00 0.00 55.97 54.86 1jkf s LYS 62 Cb -0.11 -3.26 -0.14 0.00 -2.06 0.00 0.00 37.83 32.26 1jkf s LYS 62 CO 0.24 0.63 1.32 -0.35 0.10 0.00 0.00 175.35 177.29 1jkf n PRO 63 N 2.43 1.74 0.15 1.78 -0.04 -1.26 -4.88 135.00 134.93 1jkf n PRO 63 Ca -0.18 0.62 0.02 0.00 -0.04 0.00 0.00 63.50 63.91 1jkf n PRO 63 Cb 0.54 -2.22 0.21 0.00 -0.04 0.00 0.00 33.50 31.99 1jkf n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jkf h GLU 64 N 3.89 0.00 -3.54 0.54 5.08 -1.96 -3.42 114.58 115.16 1jkf h GLU 64 Ca -0.44 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.61 1jkf h GLU 64 Cb 1.30 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.21 1jkf h GLU 64 CO 0.73 0.53 -0.73 0.15 -1.00 0.00 0.00 179.01 178.69 1jkf s LYS 65 N -3.49 0.00 -0.15 2.33 -0.14 -1.26 -4.87 119.74 112.16 1jkf s LYS 65 Ca -0.00 0.18 -0.01 0.00 -1.36 0.00 0.00 55.97 54.78 1jkf s LYS 65 Cb 0.11 -0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 35.97 1jkf s LYS 65 CO 0.73 -0.17 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.87 1jkf s LEU 66 N 1.10 2.74 -0.09 3.17 2.96 -1.09 -4.74 118.68 122.72 1jkf s LEU 66 Ca -0.09 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.22 1jkf s LEU 66 Cb -0.13 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1jkf s LEU 66 CO -0.03 0.12 0.79 -0.83 -1.32 0.00 0.00 176.35 175.09 1jkf s GLY 67 N 0.61 2.48 -0.23 7.98 0.00 -0.85 -1.93 107.32 115.37 1jkf s GLY 67 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1jkf s GLY 67 CO 0.03 1.44 -0.11 -0.42 0.00 0.00 0.00 173.10 174.04 1jkf s ILE 68 N 1.34 2.48 -0.35 0.90 -1.09 -0.29 -0.37 121.20 123.81 1jkf s ILE 68 Ca 0.40 -1.14 -0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1jkf s ILE 68 Cb -0.18 -2.25 0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1jkf s ILE 68 CO 0.18 0.24 0.14 -0.04 -1.23 0.00 0.00 174.94 174.23 1jkf s MET 69 N 1.26 2.69 -0.18 2.79 -1.94 -0.13 -2.30 119.30 121.49 1jkf s MET 69 Ca -0.01 -1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 52.68 1jkf s MET 69 Cb -0.16 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.08 1jkf s MET 69 CO -0.07 -0.68 0.34 -0.51 -0.01 0.00 0.00 175.02 174.09 1jkf s LEU 70 N 1.45 4.20 -0.34 -0.03 1.02 -1.06 -1.24 118.68 122.67 1jkf s LEU 70 Ca -0.00 0.50 -0.19 0.00 0.02 0.00 0.00 54.13 54.45 1jkf s LEU 70 Cb -0.19 -2.43 -0.00 0.00 0.02 0.00 0.00 46.19 43.58 1jkf s LEU 70 CO 0.04 0.02 0.56 -0.63 0.02 0.00 0.00 176.35 176.35 1jkf s ILE 71 N 0.88 4.98 0.00 -0.59 1.01 -0.57 -1.41 121.20 125.50 1jkf s ILE 71 Ca 0.17 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1jkf s ILE 71 Cb -0.14 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1jkf s ILE 71 CO 0.06 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1jkf n GLY 72 N 4.70 1.28 0.46 6.18 0.00 0.64 -0.45 105.19 118.00 1jkf n GLY 72 Ca -0.03 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.29 1jkf n GLY 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jkf h LEU 73 N 0.00 0.29 -0.39 0.99 6.46 -1.20 -0.03 115.31 121.44 1jkf h LEU 73 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1jkf h LEU 73 Cb 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1jkf h LEU 73 CO 0.00 -0.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.41 1jkf n GLY 74 N -1.55 -0.59 0.00 3.75 0.00 -1.26 -2.95 105.19 102.58 1jkf n GLY 74 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jkf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkf n GLY 75 N 1.06 -0.26 0.45 -0.02 0.00 -0.03 -4.72 105.19 101.67 1jkf n GLY 75 Ca 0.21 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1jkf n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jkf h ASN 76 N 0.00 -0.96 -3.29 1.61 4.21 -1.91 -2.79 115.58 112.44 1jkf h ASN 76 Ca 0.00 0.03 -0.53 0.00 1.21 0.00 0.00 56.30 57.01 1jkf h ASN 76 Cb 0.00 0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1jkf h ASN 76 CO 0.00 -0.68 0.51 0.20 -1.29 0.00 0.00 177.43 176.16 1jkf s ASN 77 N -3.65 7.17 0.00 5.81 0.01 -1.26 -2.86 114.94 120.15 1jkf s ASN 77 Ca -0.17 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.93 1jkf s ASN 77 Cb 0.02 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1jkf s ASN 77 CO 0.50 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 1jkf n GLY 78 N 2.98 2.16 0.29 0.66 0.00 -1.26 -4.71 105.19 105.31 1jkf n GLY 78 Ca 0.07 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 1jkf n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jkf h SER 79 N 0.00 0.94 1.60 1.61 4.64 -1.38 0.23 113.55 121.19 1jkf h SER 79 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1jkf h SER 79 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1jkf h SER 79 CO 0.00 0.90 0.00 0.00 -0.87 0.00 0.00 176.83 176.86 1jkf h THR 80 N 0.93 0.00 0.10 2.95 1.03 -1.77 0.14 112.91 116.30 1jkf h THR 80 Ca 0.21 -0.77 -0.01 0.00 -0.01 0.00 0.00 66.41 65.83 1jkf h THR 80 Cb 0.29 1.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1jkf h THR 80 CO -0.01 0.00 -0.05 0.25 -0.01 0.00 0.00 175.52 175.70 1jkf h LEU 81 N 0.00 -0.12 -0.99 0.00 5.85 -1.56 -1.39 115.31 117.11 1jkf h LEU 81 Ca 0.00 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1jkf h LEU 81 Cb 0.80 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1jkf h LEU 81 CO 0.00 0.46 0.65 0.58 -0.34 0.00 0.00 178.44 179.80 1jkf h VAL 82 N -0.77 1.23 -0.31 1.05 2.07 -0.51 -2.16 116.25 116.86 1jkf h VAL 82 Ca -0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1jkf h VAL 82 Cb 0.56 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1jkf h VAL 82 CO 0.02 0.24 0.20 0.00 0.02 0.00 0.00 177.57 178.05 1jkf h ALA 83 N 1.37 0.40 0.00 1.67 0.00 -0.67 -2.65 119.26 119.38 1jkf h ALA 83 Ca 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1jkf h ALA 83 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jkf h ALA 83 CO -0.09 -0.12 -0.25 0.66 0.00 0.00 0.00 179.25 179.45 1jkf h SER 84 N 0.41 0.00 0.66 0.00 4.64 -0.91 -0.43 113.55 117.92 1jkf h SER 84 Ca 0.11 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1jkf h SER 84 Cb -0.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1jkf h SER 84 CO -0.02 0.25 -0.32 0.58 -0.87 0.00 0.00 176.83 176.45 1jkf h VAL 85 N 0.00 0.00 -0.68 0.95 2.07 -1.09 -1.95 116.25 115.55 1jkf h VAL 85 Ca -0.00 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1jkf h VAL 85 Cb 0.56 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1jkf h VAL 85 CO 0.03 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.96 1jkf h LEU 86 N -1.22 0.64 -0.46 2.57 3.38 -1.39 -0.00 115.31 118.83 1jkf h LEU 86 Ca -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jkf h LEU 86 Cb 0.68 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1jkf h LEU 86 CO 0.15 0.43 0.24 0.00 0.09 0.00 0.00 178.44 179.35 1jkf h ALA 87 N 1.31 0.59 -0.13 1.53 0.00 -1.13 -0.77 119.26 120.68 1jkf h ALA 87 Ca 0.28 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1jkf h ALA 87 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jkf h ALA 87 CO -0.14 0.13 -0.11 -0.91 0.00 0.00 0.00 179.25 178.23 1jkf h ASN 88 N 0.60 0.31 -0.47 0.00 2.35 -1.14 -1.90 115.58 115.33 1jkf h ASN 88 Ca 0.16 -0.47 0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1jkf h ASN 88 Cb 0.08 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1jkf h ASN 88 CO -0.02 0.72 0.32 0.50 -1.65 0.00 0.00 177.43 177.29 1jkf h LYS 89 N -0.08 0.38 -0.33 0.81 3.64 -0.90 -2.60 116.57 117.47 1jkf h LYS 89 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jkf h LYS 89 Cb 0.62 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1jkf h LYS 89 CO 0.03 0.25 0.00 0.72 -2.27 0.00 0.00 179.45 178.18 1jkf n HIS 90 N -4.47 0.61 -3.27 1.91 8.25 -0.30 -4.96 115.22 112.98 1jkf n HIS 90 Ca 0.06 -0.60 -0.19 0.00 -0.26 0.00 0.00 57.72 56.73 1jkf n HIS 90 Cb 0.26 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1jkf n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkf n ASN 91 N 0.27 -2.49 -4.55 0.41 5.03 -0.76 -4.83 115.26 108.33 1jkf n ASN 91 Ca 0.14 -0.25 -0.39 0.00 0.87 0.00 0.00 54.58 54.95 1jkf n ASN 91 Cb 0.56 -2.14 -0.03 0.00 -1.02 0.00 0.00 39.78 37.15 1jkf n ASN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1jkf s VAL 92 N -2.69 3.39 0.61 2.41 0.11 -0.91 -4.88 120.40 118.44 1jkf s VAL 92 Ca 0.34 0.25 -0.15 0.00 -2.93 0.00 0.00 61.98 59.48 1jkf s VAL 92 Cb -0.19 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 1jkf s VAL 92 CO 0.41 -0.93 1.06 -1.83 -3.33 0.00 0.00 175.10 170.48 1jkf s GLU 93 N 6.85 3.26 0.04 1.54 -1.05 -1.26 -4.45 118.70 123.63 1jkf s GLU 93 Ca 0.66 1.17 0.01 0.00 -0.15 0.00 0.00 54.97 56.67 1jkf s GLU 93 Cb -0.13 -2.03 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 1jkf s GLU 93 CO 0.21 -0.85 -0.06 -0.59 0.95 0.00 0.00 175.26 174.92 1jkf s PHE 94 N -2.53 0.57 0.29 4.83 -0.12 -0.94 -4.95 117.98 115.12 1jkf s PHE 94 Ca 0.63 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.81 1jkf s PHE 94 Cb -0.16 -0.35 -0.08 0.00 -0.63 0.00 0.00 43.02 41.80 1jkf s PHE 94 CO 0.39 -0.13 0.68 -0.65 -0.05 0.00 0.00 175.22 175.46 1jkf s GLN 95 N -1.80 3.96 0.21 1.99 -1.52 -1.26 -0.02 119.66 121.22 1jkf s GLN 95 Ca -0.09 0.57 -0.08 0.00 -1.95 0.00 0.00 55.36 53.80 1jkf s GLN 95 Cb -0.08 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 1jkf s GLN 95 CO -0.01 0.22 0.33 0.95 -0.25 0.00 0.00 175.29 176.52 1jkf s THR 96 N -1.91 0.02 0.51 -0.19 -4.23 -0.53 -4.62 115.64 104.70 1jkf s THR 96 Ca 0.52 -1.56 0.27 0.00 -1.18 0.00 0.00 61.69 59.73 1jkf s THR 96 Cb -0.11 -2.17 0.31 0.00 1.34 0.00 0.00 72.50 71.87 1jkf s THR 96 CO 0.19 -0.09 2.16 0.07 -0.54 0.00 0.00 174.62 176.41 1jkf h LYS 97 N 2.44 0.00 -0.50 3.99 2.10 -2.02 -0.72 116.57 121.86 1jkf h LYS 97 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1jkf h LYS 97 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1jkf h LYS 97 CO 0.44 0.06 0.00 0.39 -2.00 0.00 0.00 179.45 178.34 1jkf n GLU 98 N -3.87 2.25 0.00 0.07 4.71 -1.26 -5.03 120.64 117.51 1jkf n GLU 98 Ca -0.03 -1.69 0.00 0.00 -0.01 0.00 0.00 57.16 55.43 1jkf n GLU 98 Cb 0.15 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1jkf n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkf n GLY 99 N 1.12 -1.05 3.76 0.62 0.00 -0.28 -5.01 105.19 104.35 1jkf n GLY 99 Ca 0.16 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1jkf n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkf s VAL 100 N -0.97 3.33 -0.07 1.61 1.01 -1.26 -1.45 120.40 122.60 1jkf s VAL 100 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1jkf s VAL 100 Cb 0.00 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1jkf s VAL 100 CO 0.00 0.31 -0.11 -0.54 0.00 0.00 0.00 175.10 174.76 1jkf s LYS 101 N -1.44 1.57 0.07 2.72 1.02 0.98 -4.94 119.74 119.71 1jkf s LYS 101 Ca 0.46 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 1jkf s LYS 101 Cb -0.34 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1jkf s LYS 101 CO 0.43 -0.03 1.14 -0.65 -0.92 0.00 0.00 175.35 175.33 1jkf s GLN 102 N 0.83 4.48 0.91 1.68 -1.52 -1.26 -2.22 119.66 122.56 1jkf s GLN 102 Ca -0.12 1.69 -0.11 0.00 -1.95 0.00 0.00 55.36 54.88 1jkf s GLN 102 Cb -0.15 -3.36 0.14 0.00 -0.22 0.00 0.00 33.01 29.42 1jkf s GLN 102 CO 0.02 -0.16 1.11 -1.25 -0.25 0.00 0.00 175.29 174.75 1jkf s PRO 103 N 0.83 1.13 0.00 2.91 0.04 -1.26 -5.02 135.00 133.63 1jkf s PRO 103 Ca 0.56 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1jkf s PRO 103 Cb -0.28 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1jkf s PRO 103 CO 0.30 -2.45 0.00 0.27 0.04 0.00 0.00 177.00 175.16 1jkf n ASN 104 N -4.07 0.00 -0.59 6.66 0.23 -1.26 -4.94 115.26 111.28 1jkf n ASN 104 Ca 0.09 -0.75 0.06 0.00 -0.53 0.00 0.00 54.58 53.45 1jkf n ASN 104 Cb 0.53 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.35 1jkf n ASN 104 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1jkf n TYR 105 N 0.00 0.00 -1.51 -2.53 4.02 -1.26 -4.89 117.16 110.99 1jkf n TYR 105 Ca 0.00 -0.91 -0.49 0.00 -0.01 0.00 0.00 57.90 56.49 1jkf n TYR 105 Cb 0.00 -0.17 -0.04 0.00 -0.02 0.00 0.00 39.34 39.12 1jkf n TYR 105 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jkf n PHE 106 N -0.73 0.55 -0.21 -0.72 3.01 -1.26 -1.95 117.46 116.15 1jkf n PHE 106 Ca 0.12 0.84 0.00 0.00 1.01 0.00 0.00 57.45 59.43 1jkf n PHE 106 Cb 0.76 -2.13 0.00 0.00 -0.01 0.00 0.00 39.48 38.10 1jkf n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jkf n GLY 107 N 1.77 0.73 3.43 1.37 0.00 -1.26 -4.84 105.19 106.39 1jkf n GLY 107 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1jkf n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jkf s SER 108 N -2.57 4.83 0.17 1.61 0.15 -0.82 -4.27 113.70 112.80 1jkf s SER 108 Ca 0.00 -0.23 -0.09 0.00 0.70 0.00 0.00 55.95 56.34 1jkf s SER 108 Cb 0.00 -1.84 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1jkf s SER 108 CO 0.00 0.03 1.54 -0.03 1.20 0.00 0.00 173.24 175.98 1jkf h MET 109 N 7.72 0.92 -0.03 5.44 4.05 -1.90 0.27 114.93 131.41 1jkf h MET 109 Ca -0.37 -0.42 -0.17 0.00 -0.28 0.00 0.00 59.70 58.45 1jkf h MET 109 Cb 1.17 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1jkf h MET 109 CO 0.60 1.08 -0.75 1.79 0.23 0.00 0.00 176.91 179.86 1jkf h THR 110 N 0.78 1.45 0.01 -0.77 1.35 -1.93 -3.13 112.91 110.67 1jkf h THR 110 Ca 0.09 -2.35 -0.31 0.00 -0.55 0.00 0.00 66.41 63.29 1jkf h THR 110 Cb 0.85 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 69.49 1jkf h THR 110 CO 0.08 0.69 -1.84 0.00 -0.25 0.00 0.00 175.52 174.19 1jkf n GLN 111 N -3.75 0.65 0.00 4.72 3.00 -1.17 -3.42 117.38 117.41 1jkf n GLN 111 Ca -0.03 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1jkf n GLN 111 Cb 0.72 -1.74 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1jkf n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jkf s SER 113 N -0.27 6.16 0.33 0.00 1.04 -1.18 -5.01 113.70 114.76 1jkf s SER 113 Ca 0.00 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1jkf s SER 113 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.51 1jkf s SER 113 CO 0.00 -0.27 0.04 0.35 0.98 0.00 0.00 173.24 174.34 1jkf n THR 114 N -1.57 0.00 -3.96 2.02 -2.24 -1.26 -2.09 114.28 105.18 1jkf n THR 114 Ca -0.05 -1.53 -0.09 0.00 -2.27 0.00 0.00 64.05 60.11 1jkf n THR 114 Cb 0.57 0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.96 1jkf n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jkf s LEU 115 N 0.00 1.92 -0.20 3.22 1.43 0.10 -4.71 118.68 120.43 1jkf s LEU 115 Ca 0.03 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 1jkf s LEU 115 Cb -0.00 0.58 -0.04 0.00 0.03 0.00 0.00 46.19 46.75 1jkf s LEU 115 CO 0.02 -0.58 0.32 -0.75 0.23 0.00 0.00 176.35 175.58 1jkf s LYS 116 N -3.24 4.18 -0.28 1.70 2.20 -1.26 -0.16 119.74 122.87 1jkf s LYS 116 Ca 0.00 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.56 1jkf s LYS 116 Cb 0.03 -3.51 -0.12 0.00 -1.51 0.00 0.00 37.83 32.72 1jkf s LYS 116 CO -0.08 0.06 -0.35 1.28 -0.36 0.00 0.00 175.35 175.91 1jkf n LEU 117 N 4.18 2.03 0.00 5.43 4.77 -1.11 -4.99 117.00 127.31 1jkf n LEU 117 Ca -0.11 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jkf n LEU 117 Cb 0.51 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1jkf n LEU 117 CO 0.39 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1jkf n GLY 118 N 1.36 1.93 0.00 -0.72 0.00 -1.26 -5.04 105.19 101.46 1jkf n GLY 118 Ca -0.54 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1jkf n GLY 118 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jkf n ILE 119 N 0.00 0.00 -3.47 -0.61 -5.35 -1.26 -0.53 119.36 108.14 1jkf n ILE 119 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1jkf n ILE 119 Cb 0.00 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 1jkf n ILE 119 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jkf n ASP 120 N -1.86 0.28 -0.48 7.28 3.85 -1.18 -4.71 116.55 119.74 1jkf n ASP 120 Ca 0.00 -0.47 0.40 0.00 -0.71 0.00 0.00 54.79 54.01 1jkf n ASP 120 Cb 0.00 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 40.49 1jkf n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jkf h ALA 121 N 1.00 3.13 -0.06 2.12 0.00 -2.02 -1.68 119.26 121.75 1jkf h ALA 121 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jkf h ALA 121 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jkf h ALA 121 CO 0.00 -1.64 0.00 0.39 0.00 0.00 0.00 179.25 178.00 1jkf n GLU 122 N -4.32 2.36 0.00 0.00 4.71 -1.26 -5.00 120.64 117.13 1jkf n GLU 122 Ca 0.35 -2.07 0.00 0.00 -0.01 0.00 0.00 57.16 55.43 1jkf n GLU 122 Cb 1.50 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 30.64 1jkf n GLU 122 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkf n GLY 123 N -0.73 3.14 3.70 0.62 0.00 -0.63 -5.04 105.19 106.24 1jkf n GLY 123 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1jkf n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkf s ASN 124 N 0.17 6.60 0.73 1.61 0.01 -1.26 -4.58 114.94 118.21 1jkf s ASN 124 Ca 0.00 2.52 -0.16 0.00 -0.71 0.00 0.00 52.86 54.51 1jkf s ASN 124 Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1jkf s ASN 124 CO 0.00 -0.86 0.44 0.47 -1.51 0.00 0.00 177.10 175.63 1jkf n ASP 125 N 5.06 -1.54 -4.12 -1.22 10.43 -1.26 -3.08 116.55 120.82 1jkf n ASP 125 Ca 0.15 0.57 -0.32 0.00 2.57 0.00 0.00 54.79 57.76 1jkf n ASP 125 Cb 0.40 -1.18 -0.16 0.00 1.84 0.00 0.00 41.12 42.02 1jkf n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1jkf s VAL 126 N -1.94 1.93 0.12 2.53 1.01 0.31 -4.84 120.40 119.52 1jkf s VAL 126 Ca 0.64 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1jkf s VAL 126 Cb -0.35 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1jkf s VAL 126 CO 0.60 0.52 0.14 -0.31 0.00 0.00 0.00 175.10 176.05 1jkf s TYR 127 N 1.08 3.26 0.01 5.22 1.51 -1.26 -2.77 117.35 124.40 1jkf s TYR 127 Ca -0.01 0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1jkf s TYR 127 Cb -0.14 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1jkf s TYR 127 CO -0.07 0.53 0.04 0.00 -1.11 0.00 0.00 175.55 174.94 1jkf s ALA 128 N -1.58 -0.07 0.20 3.71 0.00 0.77 -4.90 121.76 119.88 1jkf s ALA 128 Ca 0.31 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 1jkf s ALA 128 Cb -0.11 0.12 -0.16 0.00 0.00 0.00 0.00 23.12 22.97 1jkf s ALA 128 CO 0.24 -0.17 1.00 -2.30 0.00 0.00 0.00 175.76 174.53 1jkf n PRO 129 N 1.63 0.91 -0.27 0.00 -0.02 -1.26 -0.72 135.00 135.26 1jkf n PRO 129 Ca -0.23 0.32 0.07 0.00 -2.02 0.00 0.00 63.50 61.64 1jkf n PRO 129 Cb 0.55 -1.69 0.30 0.00 -0.02 0.00 0.00 33.50 32.64 1jkf n PRO 129 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jkf h PHE 130 N 2.54 0.94 -0.42 6.00 3.57 -1.67 -1.00 116.94 126.91 1jkf h PHE 130 Ca -0.40 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1jkf h PHE 130 Cb 1.37 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1jkf h PHE 130 CO 0.50 0.45 0.00 0.27 -2.23 0.00 0.00 178.31 177.30 1jkf n ASN 131 N -4.52 2.35 -0.03 0.41 0.23 -1.22 -4.20 115.26 108.27 1jkf n ASN 131 Ca 0.14 -1.97 -0.18 0.00 -0.53 0.00 0.00 54.58 52.04 1jkf n ASN 131 Cb 0.28 -0.28 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1jkf n ASN 131 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1jkf h SER 132 N 2.62 0.18 0.00 0.53 4.64 -1.49 -3.41 113.55 116.62 1jkf h SER 132 Ca 0.00 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 1jkf h SER 132 Cb 0.60 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1jkf h SER 132 CO 0.00 1.26 0.00 0.18 -0.87 0.00 0.00 176.83 177.40 1jkf n LEU 133 N -4.36 0.00 0.00 5.97 4.32 -1.25 -4.12 117.00 117.57 1jkf n LEU 133 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1jkf n LEU 133 Cb 0.66 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 1jkf n LEU 133 CO 0.37 0.00 0.00 0.18 -1.22 0.00 0.00 177.39 176.72 1jkf n LEU 134 N 0.00 0.00 -4.14 2.23 4.77 -1.26 -4.33 117.00 114.27 1jkf n LEU 134 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1jkf n LEU 134 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1jkf n LEU 134 CO 0.00 0.00 -0.53 -2.16 -1.33 0.00 0.00 177.39 173.37 1jkf s PRO 135 N 0.32 2.85 0.15 3.23 0.04 -1.26 -4.99 135.00 135.33 1jkf s PRO 135 Ca 0.00 -0.79 0.08 0.00 0.04 0.00 0.00 61.00 60.33 1jkf s PRO 135 Cb 0.00 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1jkf s PRO 135 CO 0.00 -0.05 -0.17 -1.64 0.04 0.00 0.00 177.00 175.18 1jkf s MET 136 N 0.92 1.18 -0.17 4.56 1.00 -1.26 -4.92 119.30 120.61 1jkf s MET 136 Ca -0.05 -1.34 -0.29 0.00 0.00 0.00 0.00 55.69 54.01 1jkf s MET 136 Cb -0.15 -1.18 -0.01 0.00 0.00 0.00 0.00 34.83 33.49 1jkf s MET 136 CO -0.03 0.24 1.28 0.08 0.00 0.00 0.00 175.02 176.58 1jkf s VAL 137 N -2.06 4.25 0.50 -6.03 1.01 -1.26 -5.01 120.40 111.80 1jkf s VAL 137 Ca 0.13 1.50 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 1jkf s VAL 137 Cb -0.05 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1jkf s VAL 137 CO 0.05 -0.16 1.03 -0.55 0.00 0.00 0.00 175.10 175.47 1jkf s SER 138 N 2.09 6.31 0.45 3.32 0.15 -1.26 -4.77 113.70 120.00 1jkf s SER 138 Ca 0.55 1.88 0.21 0.00 0.70 0.00 0.00 55.95 59.30 1jkf s SER 138 Cb -0.22 -2.55 1.09 0.00 -1.71 0.00 0.00 66.02 62.64 1jkf s SER 138 CO 0.16 -0.80 1.95 1.55 1.20 0.00 0.00 173.24 177.29 1jkf h PRO 139 N 1.40 0.00 0.00 5.44 0.13 -1.97 -2.69 132.00 134.30 1jkf h PRO 139 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1jkf h PRO 139 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jkf h PRO 139 CO 0.59 0.22 0.00 -0.91 -0.23 0.00 0.00 178.00 177.67 1jkf h ASN 140 N 0.00 0.00 -0.42 1.44 -0.26 -1.92 -1.98 115.58 112.44 1jkf h ASN 140 Ca -0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 1jkf h ASN 140 Cb 0.51 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.70 1jkf h ASN 140 CO 0.03 0.00 0.06 0.47 -1.06 0.00 0.00 177.43 176.93 1jkf n ASP 141 N -2.67 3.73 -4.86 5.81 10.43 -1.01 -4.81 116.55 123.16 1jkf n ASP 141 Ca -0.02 -3.29 -0.31 0.00 2.57 0.00 0.00 54.79 53.74 1jkf n ASP 141 Cb 0.08 -0.63 -0.01 0.00 1.84 0.00 0.00 41.12 42.41 1jkf n ASP 141 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1jkf s PHE 142 N -3.00 3.56 -0.12 1.24 2.99 -0.75 -2.67 117.98 119.23 1jkf s PHE 142 Ca 0.46 1.33 -0.03 0.00 0.00 0.00 0.00 56.93 58.69 1jkf s PHE 142 Cb 0.39 -2.72 0.05 0.00 0.00 0.00 0.00 43.02 40.73 1jkf s PHE 142 CO 0.08 -0.54 0.06 0.14 -0.00 0.00 0.00 175.22 174.95 1jkf s VAL 143 N -2.94 0.12 -0.01 -0.44 -7.23 -0.81 -4.88 120.40 104.21 1jkf s VAL 143 Ca 0.56 -0.04 0.07 0.00 -1.81 0.00 0.00 61.98 60.76 1jkf s VAL 143 Cb -0.11 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 1jkf s VAL 143 CO 0.45 -0.05 -0.24 0.54 -0.31 0.00 0.00 175.10 175.49 1jkf s VAL 144 N 2.06 1.88 0.00 1.32 0.11 -1.26 -1.14 120.40 123.37 1jkf s VAL 144 Ca 0.03 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1jkf s VAL 144 Cb -0.15 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.14 1jkf s VAL 144 CO -0.07 0.49 0.00 -0.24 -3.33 0.00 0.00 175.10 171.95 1jkf n SER 145 N 2.38 0.10 0.00 3.54 2.88 -0.97 -5.00 113.62 116.54 1jkf n SER 145 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1jkf n SER 145 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1jkf n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jkf n GLY 146 N 0.61 0.58 3.67 0.46 0.00 -1.26 -2.58 105.19 106.68 1jkf n GLY 146 Ca 0.00 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 1jkf n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jkf s TRP 147 N -1.52 2.56 -0.30 1.61 0.51 -0.50 0.25 118.94 121.55 1jkf s TRP 147 Ca 0.00 -0.58 -0.21 0.00 -2.12 0.00 0.00 56.10 53.18 1jkf s TRP 147 Cb 0.00 -1.79 0.20 0.00 -0.81 0.00 0.00 33.47 31.07 1jkf s TRP 147 CO 0.00 0.34 1.39 0.34 -0.51 0.00 0.00 176.95 178.51 1jkf s ASP 148 N -3.80 -0.04 0.00 2.95 3.68 -1.09 -0.26 116.67 118.12 1jkf s ASP 148 Ca 0.38 0.06 0.12 0.00 2.13 0.00 0.00 52.55 55.24 1jkf s ASP 148 Cb 0.05 0.47 0.71 0.00 -1.45 0.00 0.00 42.92 42.69 1jkf s ASP 148 CO 0.20 -0.01 1.13 2.30 0.13 0.00 0.00 175.17 178.92 1jkf n ILE 149 N 2.19 0.00 -4.63 4.11 -5.35 -1.26 -3.81 119.36 110.61 1jkf n ILE 149 Ca -0.13 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.05 1jkf n ILE 149 Cb 0.57 -0.72 -0.17 0.00 -1.74 0.00 0.00 39.64 37.58 1jkf n ILE 149 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jkf s ASN 150 N -1.95 2.61 0.03 7.28 3.84 -1.26 -1.13 114.94 124.36 1jkf s ASN 150 Ca 0.18 -0.47 0.18 0.00 0.21 0.00 0.00 52.86 52.96 1jkf s ASN 150 Cb 0.08 -1.19 0.77 0.00 -0.55 0.00 0.00 41.25 40.36 1jkf s ASN 150 CO 0.14 0.05 1.58 -0.46 -2.79 0.00 0.00 177.10 175.62 1jkf n ASN 151 N 4.03 0.07 -4.54 -4.21 2.04 -1.26 -4.79 115.26 106.61 1jkf n ASN 151 Ca -0.20 0.52 -0.49 0.00 -0.44 0.00 0.00 54.58 53.97 1jkf n ASN 151 Cb 0.52 -0.53 -0.04 0.00 -2.53 0.00 0.00 39.78 37.20 1jkf n ASN 151 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jkf n ALA 152 N -1.53 -1.35 -1.46 -2.53 0.00 -1.26 -4.59 120.51 107.80 1jkf n ALA 152 Ca 0.04 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.64 1jkf n ALA 152 Cb 0.21 -1.92 0.21 0.00 0.00 0.00 0.00 19.45 17.96 1jkf n ALA 152 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jkf s ASP 153 N -0.33 1.95 0.02 0.00 -4.77 -1.26 -4.46 116.67 107.81 1jkf s ASP 153 Ca 0.70 0.49 0.26 0.00 -3.30 0.00 0.00 52.55 50.70 1jkf s ASP 153 Cb -0.87 -0.66 1.09 0.00 -1.09 0.00 0.00 42.92 41.39 1jkf s ASP 153 CO 0.55 -3.48 1.83 0.18 0.70 0.00 0.00 175.17 174.96 1jkf n LEU 154 N -4.30 0.06 -0.03 2.11 4.32 -0.44 -1.86 117.00 116.85 1jkf n LEU 154 Ca 0.14 0.51 -0.14 0.00 -0.02 0.00 0.00 56.01 56.50 1jkf n LEU 154 Cb 0.59 -0.49 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 1jkf n LEU 154 CO 0.46 -0.07 0.53 0.22 -1.22 0.00 0.00 177.39 177.31 1jkf h TYR 155 N 0.00 0.24 -0.15 -1.77 3.20 -1.83 -1.80 116.97 114.85 1jkf h TYR 155 Ca 0.00 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1jkf h TYR 155 Cb 0.47 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1jkf h TYR 155 CO 0.00 0.75 0.04 0.93 -1.64 0.00 0.00 178.16 178.24 1jkf h GLU 156 N -0.35 0.24 -0.03 1.82 5.08 -1.88 -0.25 114.58 119.22 1jkf h GLU 156 Ca -0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1jkf h GLU 156 Cb 0.75 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1jkf h GLU 156 CO 0.03 0.39 -0.29 0.00 -1.00 0.00 0.00 179.01 178.15 1jkf h ALA 157 N 0.84 -0.38 -0.44 3.43 0.00 -1.45 0.68 119.26 121.94 1jkf h ALA 157 Ca 0.05 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1jkf h ALA 157 Cb 0.26 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1jkf h ALA 157 CO 0.00 -0.78 0.31 1.98 0.00 0.00 0.00 179.25 180.76 1jkf h MET 158 N -0.41 0.01 -0.05 0.00 1.85 -1.17 0.29 114.93 115.45 1jkf h MET 158 Ca 0.07 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1jkf h MET 158 Cb 0.52 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.54 1jkf h MET 158 CO -0.27 0.01 -0.05 1.96 -0.40 0.00 0.00 176.91 178.16 1jkf h GLN 159 N 0.01 0.12 0.00 0.39 4.20 0.17 -3.34 115.11 116.66 1jkf h GLN 159 Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jkf h GLN 159 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1jkf h GLN 159 CO -0.00 0.58 0.00 0.54 -0.67 0.00 0.00 178.83 179.27 1jkf n ARG 160 N -4.75 0.00 -1.44 1.46 1.74 0.19 -3.73 116.66 110.13 1jkf n ARG 160 Ca -0.08 0.27 -0.14 0.00 -0.77 0.00 0.00 57.85 57.13 1jkf n ARG 160 Cb 0.29 -1.20 -0.12 0.00 -1.02 0.00 0.00 32.46 30.41 1jkf n ARG 160 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1jkf n SER 161 N -1.20 -0.15 -2.37 0.55 7.64 -0.08 -4.63 113.62 113.38 1jkf n SER 161 Ca 0.00 -1.30 -0.09 0.00 1.01 0.00 0.00 58.87 58.49 1jkf n SER 161 Cb 0.00 -1.07 -0.08 0.00 -1.01 0.00 0.00 64.21 62.05 1jkf n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jkf n GLN 162 N 6.72 1.20 -0.06 1.43 6.02 -1.24 -4.17 117.38 127.28 1jkf n GLN 162 Ca 0.45 -0.66 -0.21 0.00 -0.01 0.00 0.00 57.00 56.57 1jkf n GLN 162 Cb 0.35 -1.86 -0.13 0.00 1.02 0.00 0.00 30.24 29.62 1jkf n GLN 162 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1jkf n VAL 163 N 2.95 1.64 -3.00 5.09 0.24 -1.26 -4.89 118.33 119.10 1jkf n VAL 163 Ca 0.26 -0.55 -0.33 0.00 -2.04 0.00 0.00 64.34 61.68 1jkf n VAL 163 Cb 0.44 -1.66 -0.06 0.00 -1.47 0.00 0.00 33.84 31.08 1jkf n VAL 163 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jkf s LEU 164 N -6.96 4.01 0.60 1.34 2.01 -1.26 -5.03 118.68 113.39 1jkf s LEU 164 Ca -0.29 1.45 -0.18 0.00 0.01 0.00 0.00 54.13 55.12 1jkf s LEU 164 Cb 0.08 -4.28 -0.05 0.00 0.01 0.00 0.00 46.19 41.95 1jkf s LEU 164 CO 0.67 -0.27 0.92 -0.62 1.01 0.00 0.00 176.35 178.06 1jkf n GLU 165 N -0.49 0.85 -0.06 1.70 -0.58 -1.26 -4.81 120.64 115.99 1jkf n GLU 165 Ca 0.05 0.33 -0.10 0.00 -0.42 0.00 0.00 57.16 57.02 1jkf n GLU 165 Cb 0.53 -2.11 -0.03 0.00 -0.57 0.00 0.00 31.44 29.26 1jkf n GLU 165 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1jkf h TYR 166 N 0.46 0.32 -0.70 -0.32 3.20 -1.96 -2.18 116.97 115.79 1jkf h TYR 166 Ca -0.48 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1jkf h TYR 166 Cb 1.37 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 1jkf h TYR 166 CO 0.36 0.30 0.44 0.22 -1.64 0.00 0.00 178.16 177.85 1jkf h ASP 167 N 0.26 0.83 -0.20 -2.11 1.82 -1.91 -2.29 116.42 112.82 1jkf h ASP 167 Ca 0.08 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 1jkf h ASP 167 Cb 0.09 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 1jkf h ASP 167 CO -0.01 0.63 0.06 0.25 -1.61 0.00 0.00 179.24 178.56 1jkf h LEU 168 N 0.96 0.36 -1.24 2.28 7.12 -1.77 -0.03 115.31 122.99 1jkf h LEU 168 Ca 0.25 -0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 1jkf h LEU 168 Cb -0.06 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 39.97 1jkf h LEU 168 CO -0.05 0.38 -0.16 1.56 -0.13 0.00 0.00 178.44 180.04 1jkf h GLN 169 N 0.40 0.00 0.00 1.25 4.20 -0.85 -2.90 115.11 117.21 1jkf h GLN 169 Ca 0.10 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.63 1jkf h GLN 169 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1jkf h GLN 169 CO -0.00 0.16 -1.12 1.96 -0.67 0.00 0.00 178.83 179.16 1jkf h GLN 170 N 0.00 0.00 0.00 1.46 1.08 -0.63 -2.49 115.11 114.53 1jkf h GLN 170 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jkf h GLN 170 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1jkf h GLN 170 CO 0.02 0.52 -0.09 0.54 -0.95 0.00 0.00 178.83 178.86 1jkf n ARG 171 N -3.10 0.22 -0.02 1.46 1.74 -0.75 -3.29 116.66 112.92 1jkf n ARG 171 Ca -0.06 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.25 1jkf n ARG 171 Cb 0.86 -1.73 0.07 0.00 -1.02 0.00 0.00 32.46 30.64 1jkf n ARG 171 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jkf n LEU 172 N -2.10 2.24 -0.22 0.55 4.77 -1.11 -4.65 117.00 116.48 1jkf n LEU 172 Ca 0.06 -1.11 -0.07 0.00 -0.03 0.00 0.00 56.01 54.86 1jkf n LEU 172 Cb 0.41 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1jkf n LEU 172 CO 0.31 0.43 1.05 0.50 -1.33 0.00 0.00 177.39 178.36 1jkf h LYS 173 N 2.63 0.85 -0.07 3.23 3.64 -1.43 -0.54 116.57 124.89 1jkf h LYS 173 Ca 0.00 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1jkf h LYS 173 Cb 0.59 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1jkf h LYS 173 CO 0.00 0.66 0.02 0.00 -2.27 0.00 0.00 179.45 177.86 1jkf h ALA 174 N 1.15 0.07 -0.09 5.00 0.00 -1.82 -1.66 119.26 121.91 1jkf h ALA 174 Ca 0.21 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1jkf h ALA 174 Cb 0.06 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jkf h ALA 174 CO -0.03 -0.45 -0.72 0.87 0.00 0.00 0.00 179.25 178.92 1jkf h LYS 175 N 0.05 0.64 0.00 0.00 1.57 -1.86 -3.31 116.57 113.67 1jkf h LYS 175 Ca 0.03 -0.57 -0.08 0.00 -1.87 0.00 0.00 60.65 58.16 1jkf h LYS 175 Cb 0.02 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1jkf h LYS 175 CO -0.04 1.19 -0.36 0.52 -0.57 0.00 0.00 179.45 180.19 1jkf h MET 176 N 0.29 0.00 -0.69 3.15 2.86 -1.12 -2.76 114.93 116.66 1jkf h MET 176 Ca -0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1jkf h MET 176 Cb 1.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 1jkf h MET 176 CO 0.15 0.36 0.36 0.77 1.06 0.00 0.00 176.91 179.61 1jkf h SER 177 N 0.00 0.86 0.13 1.22 0.02 -1.38 -2.53 113.55 111.86 1jkf h SER 177 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1jkf h SER 177 Cb 0.87 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1jkf h SER 177 CO 0.05 0.71 0.00 -0.07 -1.14 0.00 0.00 176.83 176.38 1jkf h LEU 178 N 0.97 0.00 -9.03 5.07 3.38 -1.58 -3.43 115.31 110.69 1jkf h LEU 178 Ca 0.24 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.60 1jkf h LEU 178 Cb 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.67 1jkf h LEU 178 CO -0.04 0.00 -0.28 -0.69 0.09 0.00 0.00 178.44 177.53 1jkf s VAL 179 N -4.09 5.22 -0.06 1.22 1.01 -0.96 -5.05 120.40 117.69 1jkf s VAL 179 Ca -0.04 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1jkf s VAL 179 Cb 0.12 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1jkf s VAL 179 CO 0.43 0.22 -0.10 -0.54 0.00 0.00 0.00 175.10 175.10 1jkf s LYS 180 N 1.64 1.47 0.81 2.72 1.02 -1.26 -1.33 119.74 124.82 1jkf s LYS 180 Ca 0.15 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 55.66 1jkf s LYS 180 Cb -0.15 -1.26 0.08 0.00 -0.52 0.00 0.00 37.83 35.98 1jkf s LYS 180 CO 0.08 0.01 1.16 -2.30 -0.92 0.00 0.00 175.35 173.39 1jkf n PRO 181 N 3.82 0.18 -2.26 -1.68 -0.02 -1.26 -4.89 135.00 128.88 1jkf n PRO 181 Ca -0.23 0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 61.10 1jkf n PRO 181 Cb 0.52 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1jkf n PRO 181 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jkf s LEU 182 N -5.37 3.27 0.39 2.45 1.43 0.14 -4.85 118.68 116.15 1jkf s LEU 182 Ca 0.73 0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 54.55 1jkf s LEU 182 Cb -0.29 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 41.96 1jkf s LEU 182 CO 0.51 -0.95 1.27 -2.16 0.23 0.00 0.00 176.35 175.25 1jkf s PRO 183 N -5.03 4.05 0.00 1.29 0.04 -1.26 -2.67 135.00 131.42 1jkf s PRO 183 Ca 0.53 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1jkf s PRO 183 Cb -0.11 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1jkf s PRO 183 CO 0.48 -0.40 0.00 0.45 0.04 0.00 0.00 177.00 177.57 1jkf n SER 184 N 0.22 0.42 -4.35 6.66 2.88 -0.31 -4.64 113.62 114.51 1jkf n SER 184 Ca 0.03 -0.65 -0.35 0.00 -1.33 0.00 0.00 58.87 56.57 1jkf n SER 184 Cb 0.44 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.76 1jkf n SER 184 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1jkf s ILE 185 N 1.00 3.51 -0.26 2.46 1.01 -1.26 -0.07 121.20 127.60 1jkf s ILE 185 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1jkf s ILE 185 Cb 0.00 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.93 1jkf s ILE 185 CO 0.00 0.43 -0.10 -0.47 0.00 0.00 0.00 174.94 174.80 1jkf s TYR 186 N 1.33 3.20 -0.58 3.97 5.04 -1.26 -4.85 117.35 124.20 1jkf s TYR 186 Ca 0.04 -2.11 0.02 0.00 -2.44 0.00 0.00 57.07 52.58 1jkf s TYR 186 Cb -0.14 -1.97 0.14 0.00 0.35 0.00 0.00 41.96 40.34 1jkf s TYR 186 CO -0.01 -0.85 0.35 0.71 -1.34 0.00 0.00 175.55 174.40 1jkf s TYR 187 N 1.17 3.30 0.31 4.97 4.12 -1.26 -4.72 117.35 125.23 1jkf s TYR 187 Ca -0.06 -3.09 0.10 0.00 0.02 0.00 0.00 57.07 54.04 1jkf s TYR 187 Cb -0.19 -2.91 0.94 0.00 -1.52 0.00 0.00 41.96 38.29 1jkf s TYR 187 CO -0.05 -0.74 1.41 -0.35 0.02 0.00 0.00 175.55 175.84 1jkf n PRO 188 N 3.02 -0.06 0.27 -1.71 -0.04 -1.26 -1.15 135.00 134.08 1jkf n PRO 188 Ca 0.08 1.29 0.15 0.00 -0.04 0.00 0.00 63.50 64.99 1jkf n PRO 188 Cb 0.34 -2.18 0.76 0.00 -0.04 0.00 0.00 33.50 32.38 1jkf n PRO 188 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jkf h ASP 189 N 0.00 0.00 1.45 3.54 3.32 -2.04 -2.91 116.42 119.77 1jkf h ASP 189 Ca 0.65 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.62 1jkf h ASP 189 Cb 1.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.10 1jkf h ASP 189 CO -0.77 0.08 -0.41 -0.26 -1.72 0.00 0.00 179.24 176.17 1jkf h PHE 190 N 0.00 0.00 -1.01 4.55 -1.00 -1.53 -3.43 116.94 114.53 1jkf h PHE 190 Ca -0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 1jkf h PHE 190 Cb 0.38 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.89 1jkf h PHE 190 CO 0.00 0.41 0.90 0.42 -1.61 0.00 0.00 178.31 178.43 1jkf s ILE 191 N -3.10 3.46 0.00 -0.55 1.01 -1.10 -0.14 121.20 120.77 1jkf s ILE 191 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1jkf s ILE 191 Cb 0.08 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1jkf s ILE 191 CO 0.72 -1.00 0.83 0.00 0.00 0.00 0.00 174.94 175.48 1jkf n ALA 192 N 13.41 -0.40 -3.90 9.38 0.00 -1.24 -4.89 120.51 132.88 1jkf n ALA 192 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 1jkf n ALA 192 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1jkf n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jkf n ALA 193 N -1.91 -0.58 -0.59 0.00 0.00 -1.12 -4.99 120.51 111.32 1jkf n ALA 193 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1jkf n ALA 193 Cb 0.00 1.14 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1jkf n ALA 193 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jkf n ASN 194 N -1.63 -1.78 -4.17 0.00 3.02 -1.26 -1.78 115.26 107.67 1jkf n ASN 194 Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.15 1jkf n ASN 194 Cb 0.54 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.31 1jkf n ASN 194 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1jkf s GLN 195 N -0.92 2.30 0.10 3.52 2.00 -1.26 -4.15 119.66 121.24 1jkf s GLN 195 Ca 0.00 -1.87 0.25 0.00 -2.00 0.00 0.00 55.36 51.74 1jkf s GLN 195 Cb 0.00 -3.78 0.50 0.00 0.80 0.00 0.00 33.01 30.53 1jkf s GLN 195 CO 0.00 -1.14 1.44 -0.25 -0.50 0.00 0.00 175.29 174.83 1jkf n ASP 196 N 4.64 0.62 -4.39 6.67 10.43 -1.26 -4.93 116.55 128.33 1jkf n ASP 196 Ca -0.04 0.13 -0.30 0.00 2.57 0.00 0.00 54.79 57.15 1jkf n ASP 196 Cb 0.41 0.02 -0.14 0.00 1.84 0.00 0.00 41.12 43.25 1jkf n ASP 196 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1jkf s GLU 197 N -3.11 1.89 0.63 -1.24 0.41 -1.26 -5.14 118.70 110.88 1jkf s GLU 197 Ca 0.08 -1.07 -0.16 0.00 -0.41 0.00 0.00 54.97 53.41 1jkf s GLU 197 Cb 0.15 -2.06 -0.02 0.00 -1.78 0.00 0.00 34.13 30.42 1jkf s GLU 197 CO 0.69 0.52 1.12 1.03 -0.49 0.00 0.00 175.26 178.13 1jkf s ARG 198 N -1.33 2.93 -0.52 1.61 1.81 -1.26 -4.94 118.95 117.25 1jkf s ARG 198 Ca 0.13 1.47 -0.18 0.00 -1.72 0.00 0.00 55.73 55.43 1jkf s ARG 198 Cb -0.10 -1.96 0.08 0.00 -0.45 0.00 0.00 34.95 32.51 1jkf s ARG 198 CO 0.03 -1.16 0.58 0.00 -0.68 0.00 0.00 175.30 174.08 1jkf s ALA 199 N -2.16 3.45 -0.07 2.13 0.00 -1.26 -4.28 121.76 119.57 1jkf s ALA 199 Ca 0.69 -1.99 0.10 0.00 0.00 0.00 0.00 51.96 50.76 1jkf s ALA 199 Cb -0.22 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.74 1jkf s ALA 199 CO 0.37 -2.02 1.08 0.27 0.00 0.00 0.00 175.76 175.46 1jkf n ASN 200 N 5.92 1.26 -3.30 0.00 6.94 -0.28 -4.88 115.26 120.93 1jkf n ASN 200 Ca -0.09 -2.59 -0.26 0.00 -0.02 0.00 0.00 54.58 51.63 1jkf n ASN 200 Cb 0.44 -0.32 -0.09 0.00 -2.36 0.00 0.00 39.78 37.45 1jkf n ASN 200 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1jkf n ASN 201 N -0.77 -0.13 -4.20 0.53 5.15 -0.69 -4.69 115.26 110.45 1jkf n ASN 201 Ca 0.09 -2.53 -0.26 0.00 -0.60 0.00 0.00 54.58 51.27 1jkf n ASN 201 Cb 0.67 -0.60 -0.15 0.00 -0.53 0.00 0.00 39.78 39.17 1jkf n ASN 201 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jkf h ILE 203 N 4.63 0.70 0.00 0.00 3.07 -0.74 -3.38 117.51 121.80 1jkf h ILE 203 Ca -0.38 -2.13 -0.18 0.00 1.55 0.00 0.00 64.86 63.72 1jkf h ILE 203 Cb 1.15 2.24 -0.06 0.00 -0.27 0.00 0.00 36.82 39.87 1jkf h ILE 203 CO 0.48 0.40 -0.25 -0.46 -1.05 0.00 0.00 178.15 177.27 1jkf n ASN 204 N -3.06 4.76 -4.78 2.16 6.94 -1.26 -4.87 115.26 115.14 1jkf n ASN 204 Ca -0.03 -2.38 -0.38 0.00 -0.02 0.00 0.00 54.58 51.76 1jkf n ASN 204 Cb 0.78 -1.28 -0.06 0.00 -2.36 0.00 0.00 39.78 36.86 1jkf n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jkf s LEU 205 N 0.00 4.39 0.00 -4.53 1.43 -1.26 0.53 118.68 119.24 1jkf s LEU 205 Ca 0.60 0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 1jkf s LEU 205 Cb 0.29 -2.65 0.14 0.00 0.03 0.00 0.00 46.19 43.99 1jkf s LEU 205 CO -0.00 0.18 0.53 -0.90 0.23 0.00 0.00 176.35 176.39 1jkf n ASP 206 N 2.65 -1.22 -0.95 2.29 5.68 -0.88 -4.72 116.55 119.40 1jkf n ASP 206 Ca -0.11 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 1jkf n ASP 206 Cb 0.52 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1jkf n ASP 206 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1jkf n GLU 207 N -2.92 0.39 0.00 0.11 0.00 -1.26 -1.54 120.64 115.41 1jkf n GLU 207 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1jkf n GLU 207 Cb 0.27 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.42 1jkf n GLU 207 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1jkf n LYS 208 N 0.75 0.00 -0.77 3.44 3.00 -1.26 -5.04 118.16 118.28 1jkf n LYS 208 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1jkf n LYS 208 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 35.03 34.96 1jkf n LYS 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jkf n GLY 209 N 0.00 0.66 3.35 3.14 0.00 -0.59 -5.05 105.19 106.70 1jkf n GLY 209 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jkf n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkf s ASN 210 N -2.16 3.74 -0.32 1.61 -0.87 -1.26 -4.79 114.94 110.89 1jkf s ASN 210 Ca 0.00 -0.37 -0.32 0.00 -1.57 0.00 0.00 52.86 50.60 1jkf s ASN 210 Cb 0.00 -1.33 -0.14 0.00 -0.02 0.00 0.00 41.25 39.76 1jkf s ASN 210 CO 0.00 0.21 1.08 1.33 -2.57 0.00 0.00 177.10 177.15 1jkf n VAL 211 N 3.21 0.00 -4.49 1.60 0.24 -1.26 -2.07 118.33 115.57 1jkf n VAL 211 Ca -0.18 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.88 1jkf n VAL 211 Cb 0.53 -0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.47 1jkf n VAL 211 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jkf s THR 212 N 1.90 1.87 -0.78 3.34 -4.23 0.19 -4.83 115.64 113.09 1jkf s THR 212 Ca 0.72 -2.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1jkf s THR 212 Cb -1.03 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 70.27 1jkf s THR 212 CO 0.56 -0.22 0.73 1.07 -0.54 0.00 0.00 174.62 176.22 1jkf n THR 213 N -0.70 0.05 -3.25 3.99 5.66 -1.26 -4.83 114.28 113.94 1jkf n THR 213 Ca -0.05 -0.53 -0.36 0.00 -3.05 0.00 0.00 64.05 60.06 1jkf n THR 213 Cb 0.64 1.10 -0.06 0.00 -1.55 0.00 0.00 70.33 70.46 1jkf n THR 213 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1jkf s ARG 214 N -0.56 4.13 0.00 1.09 3.52 -1.26 -4.40 118.95 121.47 1jkf s ARG 214 Ca 0.08 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1jkf s ARG 214 Cb 0.05 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1jkf s ARG 214 CO 0.08 0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.47 1jkf n GLY 215 N 0.98 0.68 0.28 8.12 0.00 -1.26 -4.97 105.19 109.02 1jkf n GLY 215 Ca -0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1jkf n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jkf h LYS 216 N 0.00 0.85 -0.56 1.61 1.57 -1.77 -2.68 116.57 115.60 1jkf h LYS 216 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1jkf h LYS 216 Cb 0.93 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1jkf h LYS 216 CO 0.00 0.89 0.35 2.35 -0.57 0.00 0.00 179.45 182.47 1jkf h TRP 217 N 0.77 0.71 0.00 -1.35 2.91 -1.88 0.64 115.95 117.75 1jkf h TRP 217 Ca 0.14 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.09 1jkf h TRP 217 Cb 0.56 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1jkf h TRP 217 CO 0.03 0.46 -0.36 1.79 -1.03 0.00 0.00 178.44 179.33 1jkf h THR 218 N 0.76 0.91 -0.29 2.65 1.35 -1.87 -1.35 112.91 115.07 1jkf h THR 218 Ca 0.20 -1.44 -0.17 0.00 -0.55 0.00 0.00 66.41 64.45 1jkf h THR 218 Cb -0.06 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1jkf h THR 218 CO -0.04 0.36 -0.49 0.45 -0.25 0.00 0.00 175.52 175.54 1jkf h HIS 219 N 0.00 0.99 -0.81 4.73 3.86 -0.69 -2.07 115.15 121.15 1jkf h HIS 219 Ca -0.00 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 58.85 1jkf h HIS 219 Cb 0.84 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.08 1jkf h HIS 219 CO 0.00 1.13 0.39 1.25 0.86 0.00 0.00 177.93 181.56 1jkf h LEU 220 N 0.63 1.06 -0.43 2.43 7.12 -0.44 -2.63 115.31 123.04 1jkf h LEU 220 Ca 0.03 -0.12 -0.15 0.00 0.13 0.00 0.00 57.88 57.76 1jkf h LEU 220 Cb 1.08 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1jkf h LEU 220 CO 0.11 0.89 -0.33 1.56 -0.13 0.00 0.00 178.44 180.54 1jkf h GLN 221 N 1.16 0.96 -0.38 1.25 4.20 -1.02 -2.92 115.11 118.36 1jkf h GLN 221 Ca 0.28 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1jkf h GLN 221 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1jkf h GLN 221 CO -0.04 1.13 0.07 -0.09 -0.67 0.00 0.00 178.83 179.24 1jkf h ARG 222 N 0.80 0.57 -0.17 1.46 1.12 -1.20 0.10 114.38 117.06 1jkf h ARG 222 Ca 0.08 -0.10 -0.06 0.00 -1.11 0.00 0.00 59.98 58.78 1jkf h ARG 222 Cb 0.92 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.77 1jkf h ARG 222 CO 0.09 0.55 -0.16 0.82 -3.11 0.00 0.00 179.97 178.15 1jkf h ILE 223 N 0.56 1.21 0.03 1.20 1.08 -1.31 0.58 117.51 120.85 1jkf h ILE 223 Ca 0.13 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1jkf h ILE 223 Cb 0.25 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1jkf h ILE 223 CO 0.00 0.29 -0.01 0.03 -0.69 0.00 0.00 178.15 177.76 1jkf h ARG 224 N 0.26 -0.04 -0.68 2.37 3.08 -1.09 0.73 114.38 119.02 1jkf h ARG 224 Ca 0.05 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.25 1jkf h ARG 224 Cb 0.45 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.40 1jkf h ARG 224 CO 0.03 0.63 0.04 -0.09 -1.07 0.00 0.00 179.97 179.52 1jkf h ARG 225 N -0.79 0.14 -0.63 0.04 1.12 -0.53 0.50 114.38 114.23 1jkf h ARG 225 Ca -0.00 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 58.92 1jkf h ARG 225 Cb 0.69 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.56 1jkf h ARG 225 CO 0.01 0.10 0.33 -0.44 -3.11 0.00 0.00 179.97 176.85 1jkf h ASP 226 N 0.15 0.47 -0.29 -3.80 3.32 0.27 0.15 116.42 116.69 1jkf h ASP 226 Ca 0.36 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.40 1jkf h ASP 226 Cb 0.61 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1jkf h ASP 226 CO -0.56 0.30 -0.01 0.40 -1.72 0.00 0.00 179.24 177.65 1jkf h ILE 227 N 0.61 1.26 0.25 0.35 2.04 0.19 -2.68 117.51 119.53 1jkf h ILE 227 Ca 0.29 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1jkf h ILE 227 Cb 0.22 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1jkf h ILE 227 CO -0.20 0.31 -0.15 1.56 0.00 0.00 0.00 178.15 179.66 1jkf h GLN 228 N 0.30 -0.38 -0.45 2.37 4.20 0.20 -2.88 115.11 118.48 1jkf h GLN 228 Ca 0.08 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.91 1jkf h GLN 228 Cb 0.45 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.23 1jkf h GLN 228 CO 0.02 -0.25 -0.13 -0.97 -0.67 0.00 0.00 178.83 176.82 1jkf h ASN 229 N -0.39 -0.49 -0.60 1.46 -1.24 -0.71 -1.30 115.58 112.31 1jkf h ASN 229 Ca -0.02 0.14 0.11 0.00 0.71 0.00 0.00 56.30 57.23 1jkf h ASN 229 Cb 0.32 0.30 -0.08 0.00 0.73 0.00 0.00 38.32 39.60 1jkf h ASN 229 CO 0.02 -0.17 0.17 0.15 -1.29 0.00 0.00 177.43 176.31 1jkf h PHE 230 N -0.03 0.28 -0.19 0.67 3.57 -1.35 0.20 116.94 120.09 1jkf h PHE 230 Ca 0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1jkf h PHE 230 Cb 0.36 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1jkf h PHE 230 CO -0.41 0.02 0.04 0.87 -2.23 0.00 0.00 178.31 176.60 1jkf h LYS 231 N 0.32 0.32 0.63 1.11 1.57 -1.16 -2.80 116.57 116.55 1jkf h LYS 231 Ca 0.31 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1jkf h LYS 231 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1jkf h LYS 231 CO -0.36 0.46 -0.35 0.93 -0.57 0.00 0.00 179.45 179.56 1jkf h GLU 232 N 0.12 -0.87 0.00 3.15 5.08 -0.69 0.12 114.58 121.50 1jkf h GLU 232 Ca 0.06 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1jkf h GLU 232 Cb 0.29 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1jkf h GLU 232 CO 0.00 -0.58 0.13 -1.91 -1.00 0.00 0.00 179.01 175.65 1jkf n GLU 233 N -4.57 0.00 0.00 2.33 2.13 0.65 -2.11 120.64 119.08 1jkf n GLU 233 Ca -0.11 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1jkf n GLU 233 Cb 0.37 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1jkf n GLU 233 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jkf n ASN 234 N -1.40 0.86 0.00 4.31 4.13 -1.05 -5.05 115.26 117.05 1jkf n ASN 234 Ca -0.00 -1.28 0.00 0.00 1.68 0.00 0.00 54.58 54.97 1jkf n ASN 234 Cb 0.13 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1jkf n ASN 234 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jkf n ALA 235 N -0.14 0.00 0.00 5.41 0.00 0.01 -4.99 120.51 120.79 1jkf n ALA 235 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jkf n ALA 235 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1jkf n ALA 235 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jkf n LEU 236 N 0.00 0.00 -0.08 0.00 4.77 -1.23 -4.49 117.00 115.97 1jkf n LEU 236 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1jkf n LEU 236 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1jkf n LEU 236 CO 0.00 0.00 -1.02 0.47 -1.33 0.00 0.00 177.39 175.51 1jkf n ASP 237 N 0.04 2.04 -4.74 -1.43 9.92 -1.26 -4.61 116.55 116.51 1jkf n ASP 237 Ca 0.00 -0.05 -0.35 0.00 -0.53 0.00 0.00 54.79 53.86 1jkf n ASP 237 Cb 0.00 0.31 -0.08 0.00 -0.64 0.00 0.00 41.12 40.71 1jkf n ASP 237 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1jkf s LYS 238 N -2.35 3.96 -0.11 -1.24 3.01 -1.26 -5.09 119.74 116.66 1jkf s LYS 238 Ca -0.15 -0.23 -0.08 0.00 -1.01 0.00 0.00 55.97 54.50 1jkf s LYS 238 Cb 0.05 -3.32 0.04 0.00 -1.01 0.00 0.00 37.83 33.59 1jkf s LYS 238 CO 0.50 0.41 0.28 0.08 0.51 0.00 0.00 175.35 177.13 1jkf s VAL 239 N 0.03 -0.01 -0.08 3.17 1.01 -1.26 -2.00 120.40 121.25 1jkf s VAL 239 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1jkf s VAL 239 Cb -0.11 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1jkf s VAL 239 CO -0.00 0.02 -0.16 -0.63 0.00 0.00 0.00 175.10 174.32 1jkf s ILE 240 N 0.58 1.47 -0.12 2.22 1.01 0.50 -4.07 121.20 122.79 1jkf s ILE 240 Ca -0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 1jkf s ILE 240 Cb -0.05 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1jkf s ILE 240 CO -0.03 0.43 0.07 0.68 0.00 0.00 0.00 174.94 176.08 1jkf s VAL 241 N 0.55 4.90 -0.06 2.92 -7.23 -0.92 -0.95 120.40 119.61 1jkf s VAL 241 Ca -0.16 -0.02 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1jkf s VAL 241 Cb -0.17 -3.12 0.03 0.00 0.56 0.00 0.00 36.38 33.68 1jkf s VAL 241 CO 0.06 0.58 -0.02 -0.22 -0.31 0.00 0.00 175.10 175.18 1jkf s LEU 242 N -0.70 0.96 -0.16 1.32 0.20 -0.37 -0.31 118.68 119.61 1jkf s LEU 242 Ca 0.12 -0.12 -0.29 0.00 0.69 0.00 0.00 54.13 54.53 1jkf s LEU 242 Cb -0.12 -0.47 -0.00 0.00 -0.43 0.00 0.00 46.19 45.17 1jkf s LEU 242 CO 0.03 -0.13 1.01 0.86 -0.29 0.00 0.00 176.35 177.83 1jkf s TRP 243 N 1.49 3.43 -0.20 5.38 -0.11 0.22 -1.51 118.94 127.64 1jkf s TRP 243 Ca -0.02 1.52 0.23 0.00 1.22 0.00 0.00 56.10 59.05 1jkf s TRP 243 Cb -0.13 -3.22 0.48 0.00 -1.50 0.00 0.00 33.47 29.10 1jkf s TRP 243 CO -0.03 -0.34 1.14 -2.37 -4.62 0.00 0.00 176.95 170.73 1jkf n THR 244 N 4.91 0.91 -1.47 5.86 5.66 0.41 -1.89 114.28 128.66 1jkf n THR 244 Ca 0.10 -2.36 0.00 0.00 -3.05 0.00 0.00 64.05 58.74 1jkf n THR 244 Cb 0.47 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 1jkf n THR 244 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jkf n ALA 245 N -0.40 0.00 -0.74 1.79 0.00 -0.91 -4.60 120.51 115.66 1jkf n ALA 245 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 1jkf n ALA 245 Cb 0.88 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.41 1jkf n ALA 245 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jkf n ASN 246 N 0.00 -2.23 -4.02 0.00 2.04 -1.26 -4.95 115.26 104.83 1jkf n ASN 246 Ca 0.00 -0.25 -0.30 0.00 -0.44 0.00 0.00 54.58 53.59 1jkf n ASN 246 Cb 0.00 -0.36 -0.16 0.00 -2.53 0.00 0.00 39.78 36.72 1jkf n ASN 246 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1jkf s THR 247 N -1.27 1.56 0.78 5.53 -4.23 -0.73 -4.92 115.64 112.37 1jkf s THR 247 Ca 0.19 -0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 1jkf s THR 247 Cb -0.03 -1.47 0.11 0.00 1.34 0.00 0.00 72.50 72.45 1jkf s THR 247 CO 0.16 0.46 1.11 -1.61 -0.54 0.00 0.00 174.62 174.19 1jkf s GLU 248 N 1.48 1.69 0.22 3.99 2.02 -1.26 -2.81 118.70 124.02 1jkf s GLU 248 Ca 0.05 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 1jkf s GLU 248 Cb -0.13 -2.09 -0.08 0.00 0.10 0.00 0.00 34.13 31.93 1jkf s GLU 248 CO -0.10 -1.61 1.05 -0.98 0.02 0.00 0.00 175.26 173.63 1jkf s ARG 249 N -5.43 4.68 0.79 1.61 1.70 0.80 -4.63 118.95 118.47 1jkf s ARG 249 Ca 0.65 1.67 -0.15 0.00 -0.47 0.00 0.00 55.73 57.43 1jkf s ARG 249 Cb -0.08 -3.26 0.01 0.00 -0.57 0.00 0.00 34.95 31.05 1jkf s ARG 249 CO 0.47 0.23 0.70 0.66 -1.08 0.00 0.00 175.30 176.28 1jkf n TYR 250 N 1.84 -0.33 -4.00 5.89 0.53 -1.26 -4.94 117.16 114.88 1jkf n TYR 250 Ca 0.00 0.34 -0.32 0.00 -1.02 0.00 0.00 57.90 56.91 1jkf n TYR 250 Cb 0.46 -1.95 -0.06 0.00 -1.03 0.00 0.00 39.34 36.77 1jkf n TYR 250 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1jkf s VAL 251 N -2.04 4.96 -0.20 -0.72 0.11 -1.26 -5.03 120.40 116.21 1jkf s VAL 251 Ca 0.66 -0.47 -0.17 0.00 -2.93 0.00 0.00 61.98 59.08 1jkf s VAL 251 Cb -0.31 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1jkf s VAL 251 CO 0.58 0.23 0.43 -0.70 -3.33 0.00 0.00 175.10 172.31 1jkf s GLU 252 N -2.16 4.17 -0.17 1.54 2.12 -1.26 -4.93 118.70 118.01 1jkf s GLU 252 Ca 0.29 0.26 -0.28 0.00 0.36 0.00 0.00 54.97 55.60 1jkf s GLU 252 Cb -0.12 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 1jkf s GLU 252 CO 0.21 -0.09 0.96 0.08 -0.54 0.00 0.00 175.26 175.88 1jkf s VAL 253 N 1.46 4.78 0.29 3.70 1.01 -1.26 -4.94 120.40 125.44 1jkf s VAL 253 Ca 0.20 1.90 0.05 0.00 0.00 0.00 0.00 61.98 64.13 1jkf s VAL 253 Cb -0.15 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1jkf s VAL 253 CO 0.09 -0.05 0.17 -1.20 0.00 0.00 0.00 175.10 174.11 1jkf n SER 254 N 5.53 0.26 -4.82 3.32 7.64 -1.25 -5.09 113.62 119.21 1jkf n SER 254 Ca 0.08 -2.72 -0.37 0.00 1.01 0.00 0.00 58.87 56.88 1jkf n SER 254 Cb 0.48 1.08 -0.06 0.00 -1.01 0.00 0.00 64.21 64.69 1jkf n SER 254 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1jkf s PRO 255 N -3.14 3.84 0.00 1.43 0.02 -1.26 -3.65 135.00 132.24 1jkf s PRO 255 Ca 0.24 0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1jkf s PRO 255 Cb 0.01 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1jkf s PRO 255 CO 0.17 0.58 0.00 0.41 -0.33 0.00 0.00 177.00 177.83 1jkf n GLY 256 N 2.41 0.56 3.15 0.52 0.00 -1.26 -4.97 105.19 105.60 1jkf n GLY 256 Ca -0.16 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.81 1jkf n GLY 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkf s VAL 257 N -2.00 -0.83 0.00 1.61 0.11 -1.26 -4.74 120.40 113.29 1jkf s VAL 257 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1jkf s VAL 257 Cb 0.00 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1jkf s VAL 257 CO 0.00 0.00 0.00 -0.46 -3.33 0.00 0.00 175.10 171.31 1jkf n ASN 258 N 5.43 -4.31 -0.08 3.54 2.04 -1.22 -3.79 115.26 116.87 1jkf n ASN 258 Ca -0.01 0.00 -0.19 0.00 -0.44 0.00 0.00 54.58 53.94 1jkf n ASN 258 Cb 0.52 -2.56 -0.12 0.00 -2.53 0.00 0.00 39.78 35.09 1jkf n ASN 258 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 1jkf h ASP 259 N 0.00 0.04 -1.69 0.53 -0.00 -1.88 -1.09 116.42 112.33 1jkf h ASP 259 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 57.03 56.33 1jkf h ASP 259 Cb 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 1jkf h ASP 259 CO 0.00 1.35 0.00 0.41 -0.00 0.00 0.00 179.24 181.00 1jkf n THR 260 N -4.44 0.00 0.51 1.15 -1.04 -1.26 -1.33 114.28 107.87 1jkf n THR 260 Ca -0.24 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.82 1jkf n THR 260 Cb 0.64 -1.27 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 1jkf n THR 260 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1jkf n MET 261 N -0.11 3.07 -0.10 -2.82 0.00 -1.26 -3.91 117.12 111.99 1jkf n MET 261 Ca 0.00 -0.15 -0.13 0.00 -0.00 0.00 0.00 57.70 57.42 1jkf n MET 261 Cb 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 33.22 32.03 1jkf n MET 261 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1jkf n GLU 262 N -1.02 0.68 -0.33 2.12 4.71 -1.26 -4.19 120.64 121.34 1jkf n GLU 262 Ca 0.03 0.08 0.12 0.00 -0.01 0.00 0.00 57.16 57.37 1jkf n GLU 262 Cb 0.19 -1.55 0.30 0.00 -1.01 0.00 0.00 31.44 29.36 1jkf n GLU 262 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1jkf n ASN 263 N -2.96 3.84 -0.05 1.62 2.04 -1.26 -2.69 115.26 115.80 1jkf n ASN 263 Ca -0.35 -2.00 -0.08 0.00 -0.44 0.00 0.00 54.58 51.71 1jkf n ASN 263 Cb 1.09 -0.44 -0.14 0.00 -2.53 0.00 0.00 39.78 37.76 1jkf n ASN 263 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1jkf n LEU 264 N 1.58 0.52 0.07 -4.53 7.94 -1.26 -1.59 117.00 119.74 1jkf n LEU 264 Ca 0.23 0.25 -0.09 0.00 -1.11 0.00 0.00 56.01 55.28 1jkf n LEU 264 Cb 0.61 0.28 -0.13 0.00 0.53 0.00 0.00 43.42 44.72 1jkf n LEU 264 CO 0.16 0.40 0.08 -0.07 -1.11 0.00 0.00 177.39 176.85 1jkf h LEU 265 N 0.00 0.11 0.22 -1.96 -0.00 -1.73 -2.73 115.31 109.23 1jkf h LEU 265 Ca -0.37 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.38 1jkf h LEU 265 Cb 2.03 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.66 1jkf h LEU 265 CO 0.06 1.09 -0.11 -0.61 -0.00 0.00 0.00 178.44 178.87 1jkf h GLN 266 N 0.02 -0.28 -0.70 1.13 5.75 -1.60 -2.84 115.11 116.58 1jkf h GLN 266 Ca -0.05 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.57 1jkf h GLN 266 Cb 1.83 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 30.32 1jkf h GLN 266 CO 0.15 0.01 -0.44 0.77 -2.65 0.00 0.00 178.83 176.68 1jkf h SER 267 N -0.99 -1.54 -0.67 -0.69 0.02 -1.39 0.41 113.55 108.69 1jkf h SER 267 Ca -0.03 0.27 0.14 0.00 -0.84 0.00 0.00 61.79 61.33 1jkf h SER 267 Cb 0.43 0.72 -0.11 0.00 0.14 0.00 0.00 62.40 63.58 1jkf h SER 267 CO 0.05 -0.31 0.01 0.40 -1.14 0.00 0.00 176.83 175.84 1jkf h ILE 268 N -0.16 0.44 -0.15 3.27 2.04 -1.57 0.24 117.51 121.63 1jkf h ILE 268 Ca 0.21 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 1jkf h ILE 268 Cb 0.55 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1jkf h ILE 268 CO -0.77 0.02 -0.12 0.11 0.00 0.00 0.00 178.15 177.39 1jkf h LYS 269 N 0.12 0.24 -0.15 2.37 1.57 -0.13 -0.72 116.57 119.87 1jkf h LYS 269 Ca 0.36 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1jkf h LYS 269 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jkf h LYS 269 CO -0.58 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 178.77 1jkf n ASN 270 N -4.28 0.82 -0.88 0.86 4.13 0.92 -4.83 115.26 112.00 1jkf n ASN 270 Ca -0.01 -1.96 -0.09 0.00 1.68 0.00 0.00 54.58 54.20 1jkf n ASN 270 Cb 0.26 -0.10 -0.04 0.00 -1.54 0.00 0.00 39.78 38.36 1jkf n ASN 270 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1jkf n ASP 271 N -0.06 -4.16 -4.33 6.41 10.43 -0.28 -4.88 116.55 119.68 1jkf n ASP 271 Ca 0.06 0.23 -0.33 0.00 2.57 0.00 0.00 54.79 57.32 1jkf n ASP 271 Cb 0.14 -3.30 0.11 0.00 1.84 0.00 0.00 41.12 39.91 1jkf n ASP 271 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1jkf n HIS 272 N -1.79 -2.07 0.00 1.24 -0.00 -0.92 -4.94 115.22 106.74 1jkf n HIS 272 Ca -0.09 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1jkf n HIS 272 Cb 0.45 -1.70 0.00 0.00 -0.12 0.00 0.00 29.99 28.62 1jkf n HIS 272 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1jkf n GLU 273 N -0.98 1.66 0.00 1.57 1.02 -1.26 -4.17 120.64 118.47 1jkf n GLU 273 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jkf n GLU 273 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1jkf n GLU 273 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkf n GLU 274 N 0.00 0.00 -3.45 3.49 4.71 -1.26 -4.71 120.64 119.42 1jkf n GLU 274 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1jkf n GLU 274 Cb 0.00 -0.68 -0.06 0.00 -1.01 0.00 0.00 31.44 29.69 1jkf n GLU 274 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1jkf s ILE 275 N 0.00 4.79 0.52 -3.67 -1.09 -1.26 -4.87 121.20 115.62 1jkf s ILE 275 Ca 0.00 -2.02 -0.07 0.00 -2.23 0.00 0.00 60.65 56.33 1jkf s ILE 275 Cb 0.00 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1jkf s ILE 275 CO 0.00 -0.88 0.85 0.00 -1.23 0.00 0.00 174.94 173.68 1jkf s ALA 276 N 0.95 3.33 0.33 9.38 0.00 -1.26 -4.92 121.76 129.57 1jkf s ALA 276 Ca 0.09 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 51.76 1jkf s ALA 276 Cb -0.22 -2.70 0.97 0.00 0.00 0.00 0.00 23.12 21.16 1jkf s ALA 276 CO -0.02 -0.44 1.69 -1.35 0.00 0.00 0.00 175.76 175.64 1jkf h PRO 277 N 0.09 0.41 -0.25 0.00 0.11 -1.93 0.24 132.00 130.67 1jkf h PRO 277 Ca -0.46 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1jkf h PRO 277 Cb 1.20 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1jkf h PRO 277 CO 0.62 0.27 -0.23 1.03 -0.21 0.00 0.00 178.00 179.48 1jkf h SER 278 N 0.42 -0.74 -0.42 -2.05 0.87 -1.94 -1.90 113.55 107.78 1jkf h SER 278 Ca 0.68 0.14 0.09 0.00 -1.23 0.00 0.00 61.79 61.47 1jkf h SER 278 Cb 1.44 0.36 -0.09 0.00 -0.44 0.00 0.00 62.40 63.66 1jkf h SER 278 CO -0.56 -0.27 -0.20 0.74 -0.53 0.00 0.00 176.83 176.02 1jkf h THR 279 N -0.23 0.41 0.43 2.23 2.02 -0.82 0.16 112.91 117.11 1jkf h THR 279 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1jkf h THR 279 Cb 0.45 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1jkf h THR 279 CO -0.39 0.00 -0.27 0.40 0.37 0.00 0.00 175.52 175.63 1jkf h ILE 280 N -0.12 0.43 -0.71 3.11 1.08 -1.29 0.82 117.51 120.83 1jkf h ILE 280 Ca 0.20 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.78 1jkf h ILE 280 Cb 0.43 0.43 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1jkf h ILE 280 CO -0.49 0.00 0.32 -0.26 -0.69 0.00 0.00 178.15 177.03 1jkf h PHE 281 N -0.68 0.57 0.64 1.37 -1.00 -1.08 0.31 116.94 117.07 1jkf h PHE 281 Ca -0.05 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 1jkf h PHE 281 Cb 0.56 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1jkf h PHE 281 CO -0.10 0.16 -0.38 0.00 -1.61 0.00 0.00 178.31 176.38 1jkf h ALA 282 N 1.47 -1.20 -1.00 2.45 0.00 -0.62 -0.76 119.26 119.59 1jkf h ALA 282 Ca 0.37 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1jkf h ALA 282 Cb 0.46 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1jkf h ALA 282 CO -0.32 -1.16 0.61 0.00 0.00 0.00 0.00 179.25 178.38 1jkf h ALA 283 N -1.37 1.60 -0.76 0.00 0.00 -0.39 -0.23 119.26 118.10 1jkf h ALA 283 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jkf h ALA 283 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1jkf h ALA 283 CO 0.10 0.05 0.31 0.00 0.00 0.00 0.00 179.25 179.70 1jkf h ALA 284 N 1.61 1.10 -0.39 0.00 0.00 -0.17 -1.01 119.26 120.40 1jkf h ALA 284 Ca 0.55 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1jkf h ALA 284 Cb 0.75 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jkf h ALA 284 CO -0.34 0.64 -0.01 0.77 0.00 0.00 0.00 179.25 180.31 1jkf h SER 285 N 1.11 0.69 0.72 0.00 0.02 0.44 -3.13 113.55 113.39 1jkf h SER 285 Ca 0.26 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1jkf h SER 285 Cb 0.20 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1jkf h SER 285 CO -0.02 0.83 -0.45 0.40 -1.14 0.00 0.00 176.83 176.45 1jkf h ILE 286 N 0.52 0.00 0.00 3.27 2.04 -0.79 -1.31 117.51 121.24 1jkf h ILE 286 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1jkf h ILE 286 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1jkf h ILE 286 CO 0.02 0.00 0.08 0.18 0.00 0.00 0.00 178.15 178.43 1jkf n LEU 287 N -5.30 0.00 0.00 1.44 4.77 -0.42 0.17 117.00 117.66 1jkf n LEU 287 Ca -0.13 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1jkf n LEU 287 Cb 0.46 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1jkf n LEU 287 CO 0.31 -0.09 0.34 -0.62 -1.33 0.00 0.00 177.39 176.01 1jkf n GLU 288 N -0.93 1.04 -1.15 3.23 -0.58 -0.96 -4.98 120.64 116.31 1jkf n GLU 288 Ca 0.00 -0.92 -0.05 0.00 -0.42 0.00 0.00 57.16 55.77 1jkf n GLU 288 Cb 0.08 -0.90 -0.02 0.00 -0.57 0.00 0.00 31.44 30.02 1jkf n GLU 288 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jkf n GLY 289 N -0.23 0.71 3.64 0.62 0.00 0.44 -4.99 105.19 105.39 1jkf n GLY 289 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1jkf n GLY 289 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jkf s VAL 290 N -1.93 5.09 0.48 1.61 -7.23 -0.54 -4.93 120.40 112.96 1jkf s VAL 290 Ca 0.00 0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 60.85 1jkf s VAL 290 Cb 0.00 -3.83 -0.07 0.00 0.56 0.00 0.00 36.38 33.03 1jkf s VAL 290 CO 0.00 0.14 1.38 -2.16 -0.31 0.00 0.00 175.10 174.15 1jkf s PRO 291 N 1.92 3.52 -0.14 4.82 0.04 -1.26 -4.09 135.00 139.81 1jkf s PRO 291 Ca 0.23 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1jkf s PRO 291 Cb -0.15 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1jkf s PRO 291 CO 0.09 -0.92 -0.15 -0.47 0.04 0.00 0.00 177.00 175.60 1jkf s TYR 292 N -1.25 2.78 -0.28 0.56 6.14 -1.15 -2.16 117.35 121.98 1jkf s TYR 292 Ca 0.64 -0.85 -0.04 0.00 0.64 0.00 0.00 57.07 57.47 1jkf s TYR 292 Cb -0.42 -1.85 0.03 0.00 0.42 0.00 0.00 41.96 40.14 1jkf s TYR 292 CO 0.52 -0.35 0.01 0.42 0.64 0.00 0.00 175.55 176.80 1jkf s ILE 293 N 0.56 3.30 -0.68 3.14 1.01 0.57 -1.82 121.20 127.29 1jkf s ILE 293 Ca -0.09 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 1jkf s ILE 293 Cb -0.16 -2.76 0.08 0.00 0.01 0.00 0.00 42.46 39.63 1jkf s ILE 293 CO 0.04 0.05 0.94 0.21 0.00 0.00 0.00 174.94 176.17 1jkf s ASN 294 N 1.36 6.23 -0.07 3.58 2.47 -0.84 -0.61 114.94 127.07 1jkf s ASN 294 Ca -0.01 -1.19 0.08 0.00 0.42 0.00 0.00 52.86 52.16 1jkf s ASN 294 Cb -0.18 -2.40 0.36 0.00 -1.45 0.00 0.00 41.25 37.59 1jkf s ASN 294 CO -0.01 -1.34 1.16 0.61 -3.72 0.00 0.00 177.10 173.79 1jkf n GLY 295 N 5.34 1.64 3.18 1.21 0.00 -0.79 -2.70 105.19 113.06 1jkf n GLY 295 Ca -0.02 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1jkf n GLY 295 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jkf s SER 296 N -0.60 1.60 0.72 1.61 1.04 -1.26 -2.46 113.70 114.35 1jkf s SER 296 Ca 0.25 -0.69 -0.15 0.00 0.48 0.00 0.00 55.95 55.84 1jkf s SER 296 Cb 0.17 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1jkf s SER 296 CO 0.11 -0.15 1.18 -2.16 0.98 0.00 0.00 173.24 173.20 1jkf s PRO 297 N -2.15 2.26 0.00 4.02 0.04 -1.26 -0.52 135.00 137.38 1jkf s PRO 297 Ca 0.01 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1jkf s PRO 297 Cb -0.07 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1jkf s PRO 297 CO 0.02 -1.72 0.00 0.00 0.04 0.00 0.00 177.00 175.34 1jkf n GLN 298 N -2.69 0.00 0.00 4.56 10.64 -1.26 -4.51 117.38 124.11 1jkf n GLN 298 Ca 0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1jkf n GLN 298 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 1jkf n GLN 298 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1jkf n ASN 299 N 0.00 0.00 0.00 2.61 5.03 -1.26 -4.66 115.26 116.98 1jkf n ASN 299 Ca 0.00 0.31 0.00 0.00 0.87 0.00 0.00 54.58 55.76 1jkf n ASN 299 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1jkf n ASN 299 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1jkf n THR 300 N -0.43 0.00 -0.69 3.41 -1.04 -1.26 -4.38 114.28 109.89 1jkf n THR 300 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1jkf n THR 300 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1jkf n THR 300 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1jkf n PHE 301 N 0.00 1.01 -0.45 -1.42 0.99 -1.26 -4.78 117.46 111.54 1jkf n PHE 301 Ca 0.00 -1.35 -0.02 0.00 -0.00 0.00 0.00 57.45 56.08 1jkf n PHE 301 Cb 0.00 -1.30 0.02 0.00 -1.00 0.00 0.00 39.48 37.20 1jkf n PHE 301 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1jkf n VAL 302 N 5.50 0.00 0.07 -4.37 0.24 -1.26 -4.79 118.33 113.71 1jkf n VAL 302 Ca 0.38 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.53 1jkf n VAL 302 Cb 0.25 -0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 31.68 1jkf n VAL 302 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1jkf h PRO 303 N 0.00 -0.22 -0.66 7.34 0.13 -1.83 -3.18 132.00 133.59 1jkf h PRO 303 Ca -0.03 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1jkf h PRO 303 Cb 0.09 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.18 1jkf h PRO 303 CO 0.02 0.20 -0.43 0.78 -0.23 0.00 0.00 178.00 178.34 1jkf h GLY 304 N -0.74 -1.34 -0.45 1.56 0.00 0.12 -0.70 103.07 101.53 1jkf h GLY 304 Ca -0.02 0.88 0.17 0.00 0.00 0.00 0.00 47.33 48.36 1jkf h GLY 304 CO 0.04 -0.25 -0.04 -2.00 0.00 0.00 0.00 176.54 174.28 1jkf h LEU 305 N -0.05 -0.45 -0.80 3.11 5.85 -1.75 0.30 115.31 121.52 1jkf h LEU 305 Ca 0.11 0.21 0.18 0.00 0.84 0.00 0.00 57.88 59.21 1jkf h LEU 305 Cb 0.32 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.63 1jkf h LEU 305 CO -0.65 -0.21 0.27 0.58 -0.34 0.00 0.00 178.44 178.09 1jkf h VAL 306 N 0.07 0.52 0.61 1.05 2.07 -1.10 -1.65 116.25 117.82 1jkf h VAL 306 Ca 0.42 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.79 1jkf h VAL 306 Cb 0.72 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1jkf h VAL 306 CO -0.72 0.06 -0.44 1.56 0.02 0.00 0.00 177.57 178.06 1jkf h GLN 307 N 0.34 -0.97 -1.08 1.57 4.20 -0.13 0.73 115.11 119.78 1jkf h GLN 307 Ca 0.46 0.07 0.42 0.00 0.06 0.00 0.00 58.65 59.66 1jkf h GLN 307 Cb 0.81 0.22 -0.17 0.00 0.30 0.00 0.00 27.48 28.64 1jkf h GLN 307 CO -0.50 -0.64 0.62 1.25 -0.67 0.00 0.00 178.83 178.88 1jkf h LEU 308 N -1.00 0.32 0.04 1.46 5.85 -1.09 0.70 115.31 121.59 1jkf h LEU 308 Ca -0.08 0.23 -0.24 0.00 0.84 0.00 0.00 57.88 58.63 1jkf h LEU 308 Cb 0.82 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1jkf h LEU 308 CO 0.04 -0.36 -1.12 0.00 -0.34 0.00 0.00 178.44 176.66 1jkf h ALA 309 N 1.90 0.29 -0.06 1.25 0.00 -0.59 -3.22 119.26 118.82 1jkf h ALA 309 Ca 0.84 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jkf h ALA 309 Cb 2.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 1jkf h ALA 309 CO -0.68 1.18 0.02 0.93 0.00 0.00 0.00 179.25 180.70 1jkf h GLU 310 N 0.02 0.09 -7.33 0.00 5.08 0.26 0.42 114.58 113.12 1jkf h GLU 310 Ca -0.07 -0.02 -0.46 0.00 -1.00 0.00 0.00 59.36 57.82 1jkf h GLU 310 Cb 1.85 -0.01 0.16 0.00 0.50 0.00 0.00 28.75 31.24 1jkf h GLU 310 CO 0.15 0.22 0.19 -1.58 -1.00 0.00 0.00 179.01 176.99 1jkf s HIS 311 N -5.57 2.08 0.00 4.33 2.46 0.69 -1.99 115.29 117.29 1jkf s HIS 311 Ca -0.14 1.07 0.00 0.00 0.47 0.00 0.00 55.06 56.47 1jkf s HIS 311 Cb 0.05 -3.23 0.00 0.00 -0.13 0.00 0.00 32.58 29.28 1jkf s HIS 311 CO 0.68 -2.87 0.00 0.39 -2.47 0.00 0.00 174.74 170.46 1jkf n GLU 312 N -4.18 0.00 -3.30 2.88 -0.58 -1.26 -3.77 120.64 110.44 1jkf n GLU 312 Ca 0.05 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.63 1jkf n GLU 312 Cb 0.56 -2.44 0.07 0.00 -0.57 0.00 0.00 31.44 29.07 1jkf n GLU 312 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jkf n GLY 313 N -0.92 -0.27 3.34 0.62 0.00 -0.84 -4.94 105.19 102.18 1jkf n GLY 313 Ca 0.00 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1jkf n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jkf s THR 314 N -3.29 3.52 0.86 2.61 2.01 0.14 -5.01 115.64 116.48 1jkf s THR 314 Ca 0.21 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 1jkf s THR 314 Cb -0.09 -2.60 0.09 0.00 0.01 0.00 0.00 72.50 69.90 1jkf s THR 314 CO 0.62 0.42 1.02 0.49 -0.69 0.00 0.00 174.62 176.47 1jkf n PHE 315 N 4.73 0.57 -3.66 4.92 3.72 -1.26 -4.57 117.46 121.92 1jkf n PHE 315 Ca -0.18 0.37 -0.06 0.00 -0.05 0.00 0.00 57.45 57.53 1jkf n PHE 315 Cb 0.51 -2.01 -0.08 0.00 -0.94 0.00 0.00 39.48 36.97 1jkf n PHE 315 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1jkf s ILE 316 N -2.33 -0.56 -0.05 4.37 -4.36 -0.32 -2.92 121.20 115.03 1jkf s ILE 316 Ca 0.68 0.08 -0.07 0.00 -0.26 0.00 0.00 60.65 61.08 1jkf s ILE 316 Cb -0.26 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 1jkf s ILE 316 CO 0.56 0.03 0.22 0.00 0.24 0.00 0.00 174.94 176.00 1jkf s ALA 317 N 2.36 3.86 0.07 2.27 0.00 -0.75 -2.04 121.76 127.53 1jkf s ALA 317 Ca -0.06 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1jkf s ALA 317 Cb -0.10 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1jkf s ALA 317 CO -0.16 0.63 -0.12 0.20 0.00 0.00 0.00 175.76 176.32 1jkf s GLY 318 N -1.40 0.78 -0.02 0.00 0.00 -1.26 -1.98 107.32 103.44 1jkf s GLY 318 Ca 0.22 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 1jkf s GLY 318 CO 0.11 -1.05 0.03 1.22 0.00 0.00 0.00 173.10 173.42 1jkf n ASP 319 N 1.12 -4.23 -1.39 1.64 9.92 -1.10 -3.22 116.55 119.29 1jkf n ASP 319 Ca -0.20 1.31 0.17 0.00 -0.53 0.00 0.00 54.79 55.54 1jkf n ASP 319 Cb 0.55 -3.12 -0.07 0.00 -0.64 0.00 0.00 41.12 37.85 1jkf n ASP 319 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jkf n ASP 320 N 2.02 -7.92 -3.68 -2.24 4.64 0.32 -2.65 116.55 107.04 1jkf n ASP 320 Ca -0.06 1.02 -0.25 0.00 -1.38 0.00 0.00 54.79 54.12 1jkf n ASP 320 Cb 0.09 -4.52 -0.17 0.00 -1.04 0.00 0.00 41.12 35.48 1jkf n ASP 320 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 1jkf s LEU 321 N -6.92 0.62 0.01 -2.67 2.34 -1.03 -3.62 118.68 107.42 1jkf s LEU 321 Ca 0.00 -0.53 -0.08 0.00 0.06 0.00 0.00 54.13 53.57 1jkf s LEU 321 Cb 0.00 -0.37 -0.04 0.00 -0.56 0.00 0.00 46.19 45.22 1jkf s LEU 321 CO 0.00 -0.30 0.21 0.29 -1.06 0.00 0.00 176.35 175.48 1jkf n LYS 322 N 5.19 0.00 -2.21 1.48 5.02 -0.74 -4.65 118.16 122.25 1jkf n LYS 322 Ca -0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.94 1jkf n LYS 322 Cb 0.49 -0.31 0.04 0.00 -0.02 0.00 0.00 35.03 35.23 1jkf n LYS 322 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1jkf s SER 323 N -0.07 5.37 -0.12 4.39 1.04 -1.26 -4.92 113.70 118.14 1jkf s SER 323 Ca 0.19 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1jkf s SER 323 Cb -0.27 -1.64 0.26 0.00 0.10 0.00 0.00 66.02 64.48 1jkf s SER 323 CO 0.13 -1.27 1.11 0.61 0.98 0.00 0.00 173.24 174.80 1jkf n GLY 324 N -2.79 2.40 0.00 7.32 0.00 -1.26 -2.08 105.19 108.78 1jkf n GLY 324 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1jkf n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkf n GLN 325 N 0.09 1.68 0.18 1.61 0.00 -1.26 -4.65 117.38 115.03 1jkf n GLN 325 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.26 1jkf n GLN 325 Cb 0.73 -0.62 0.11 0.00 0.00 0.00 0.00 30.24 30.47 1jkf n GLN 325 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1jkf h THR 326 N 0.00 0.01 -0.86 -0.39 2.02 -1.92 0.30 112.91 112.06 1jkf h THR 326 Ca 0.00 -1.01 -0.45 0.00 0.77 0.00 0.00 66.41 65.72 1jkf h THR 326 Cb 0.18 1.84 -0.27 0.00 -1.74 0.00 0.00 68.15 68.16 1jkf h THR 326 CO 0.00 0.00 0.57 1.17 0.37 0.00 0.00 175.52 177.64 1jkf n LYS 327 N -2.96 2.09 0.00 6.66 4.81 -0.88 -2.98 118.16 124.89 1jkf n LYS 327 Ca 0.03 -2.60 0.00 0.00 -0.87 0.00 0.00 58.31 54.87 1jkf n LYS 327 Cb 0.54 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1jkf n LYS 327 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1jkf n LEU 328 N -0.91 0.00 0.03 3.14 0.00 -1.07 -4.77 117.00 113.41 1jkf n LEU 328 Ca 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.45 1jkf n LEU 328 Cb 1.49 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 44.85 1jkf n LEU 328 CO 0.53 0.00 0.27 0.50 0.00 0.00 0.00 177.39 178.69 1jkf h LYS 329 N 0.00 -0.18 -0.91 1.96 3.64 -0.42 -2.62 116.57 118.03 1jkf h LYS 329 Ca 0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1jkf h LYS 329 Cb 0.00 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 1jkf h LYS 329 CO 0.00 0.18 0.58 1.03 -2.27 0.00 0.00 179.45 178.98 1jkf h SER 330 N -0.96 0.72 0.98 4.20 0.87 -1.79 0.12 113.55 117.69 1jkf h SER 330 Ca -0.02 0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.37 1jkf h SER 330 Cb 0.45 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1jkf h SER 330 CO 0.03 0.37 -0.99 0.58 -0.53 0.00 0.00 176.83 176.29 1jkf h VAL 331 N 0.77 1.71 -0.11 2.23 2.07 -1.84 -1.78 116.25 119.30 1jkf h VAL 331 Ca 0.46 -3.38 -0.10 0.00 0.82 0.00 0.00 66.70 64.50 1jkf h VAL 331 Cb 0.64 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1jkf h VAL 331 CO -0.22 0.97 -0.31 0.25 0.02 0.00 0.00 177.57 178.28 1jkf h LEU 332 N 0.00 0.46 -0.09 2.57 7.12 -0.93 -1.45 115.31 122.99 1jkf h LEU 332 Ca -0.01 -0.60 -0.00 0.00 0.13 0.00 0.00 57.88 57.40 1jkf h LEU 332 Cb 1.75 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.75 1jkf h LEU 332 CO 0.13 0.97 0.05 0.00 -0.13 0.00 0.00 178.44 179.46 1jkf h ALA 333 N 0.50 0.12 -0.12 1.25 0.00 -0.86 -2.66 119.26 117.48 1jkf h ALA 333 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jkf h ALA 333 Cb 0.92 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1jkf h ALA 333 CO 0.07 -0.33 -0.15 0.37 0.00 0.00 0.00 179.25 179.21 1jkf h GLN 334 N 0.04 -0.18 -0.75 0.00 5.75 -1.33 -1.68 115.11 116.95 1jkf h GLN 334 Ca 0.03 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.71 1jkf h GLN 334 Cb 0.10 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.58 1jkf h GLN 334 CO -0.00 -0.12 0.18 0.35 -2.65 0.00 0.00 178.83 176.59 1jkf h PHE 335 N -0.19 0.28 0.11 3.99 3.04 -1.14 -0.40 116.94 122.63 1jkf h PHE 335 Ca 0.09 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1jkf h PHE 335 Cb 0.32 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1jkf h PHE 335 CO -0.26 -0.09 -0.12 -0.07 -2.02 0.00 0.00 178.31 175.75 1jkf h LEU 336 N 0.26 -0.31 -0.70 0.59 3.38 -0.98 -2.16 115.31 115.39 1jkf h LEU 336 Ca 0.42 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1jkf h LEU 336 Cb 0.73 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jkf h LEU 336 CO -0.52 -0.18 0.00 0.52 0.09 0.00 0.00 178.44 178.35 1jkf n VAL 337 N -5.24 0.98 1.30 1.22 0.31 -0.66 -1.63 118.33 114.61 1jkf n VAL 337 Ca -0.07 0.36 0.13 0.00 -0.01 0.00 0.00 64.34 64.75 1jkf n VAL 337 Cb 0.16 -1.29 0.36 0.00 -0.91 0.00 0.00 33.84 32.16 1jkf n VAL 337 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1jkf n ASP 338 N -2.08 1.74 -0.40 4.52 10.43 -0.25 -3.62 116.55 126.89 1jkf n ASP 338 Ca 0.01 -1.46 0.04 0.00 2.57 0.00 0.00 54.79 55.95 1jkf n ASP 338 Cb 0.16 0.07 0.07 0.00 1.84 0.00 0.00 41.12 43.27 1jkf n ASP 338 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jkf n ALA 339 N 0.21 2.30 -0.69 2.24 0.00 -0.64 -4.98 120.51 118.94 1jkf n ALA 339 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1jkf n ALA 339 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1jkf n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkf n GLY 340 N 0.36 0.63 3.85 0.00 0.00 -1.18 -5.06 105.19 103.78 1jkf n GLY 340 Ca 0.07 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1jkf n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkf s ILE 341 N -2.00 5.03 -0.99 -0.61 1.01 -0.98 -5.03 121.20 117.63 1jkf s ILE 341 Ca 0.00 0.70 -0.09 0.00 0.00 0.00 0.00 60.65 61.27 1jkf s ILE 341 Cb 0.00 -3.69 0.25 0.00 0.01 0.00 0.00 42.46 39.03 1jkf s ILE 341 CO 0.00 0.44 0.94 -0.75 0.00 0.00 0.00 174.94 175.57 1jkf s LYS 342 N -1.48 3.83 0.24 2.79 2.20 -1.19 -3.99 119.74 122.14 1jkf s LYS 342 Ca 0.29 -3.03 -0.30 0.00 -0.36 0.00 0.00 55.97 52.56 1jkf s LYS 342 Cb -0.16 -4.38 -0.14 0.00 -1.51 0.00 0.00 37.83 31.64 1jkf s LYS 342 CO 0.16 -1.25 1.16 -2.30 -0.36 0.00 0.00 175.35 172.76 1jkf n PRO 343 N 2.95 1.47 -0.06 4.03 -0.02 -1.26 -1.78 135.00 140.32 1jkf n PRO 343 Ca 0.20 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1jkf n PRO 343 Cb 0.40 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 1jkf n PRO 343 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1jkf n VAL 344 N 1.04 0.72 -3.82 -1.45 3.14 0.27 -4.83 118.33 113.39 1jkf n VAL 344 Ca 0.12 -0.31 -0.13 0.00 -2.96 0.00 0.00 64.34 61.06 1jkf n VAL 344 Cb 0.29 -0.90 -0.13 0.00 -1.06 0.00 0.00 33.84 32.04 1jkf n VAL 344 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1jkf s SER 345 N -5.00 -0.09 -0.11 6.55 0.15 -0.29 -5.00 113.70 109.90 1jkf s SER 345 Ca -0.14 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 1jkf s SER 345 Cb 0.04 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1jkf s SER 345 CO 0.32 -0.05 -0.01 -0.63 1.20 0.00 0.00 173.24 174.06 1jkf s ILE 346 N 0.26 0.61 -0.08 6.45 1.09 -1.25 -0.32 121.20 127.96 1jkf s ILE 346 Ca -0.02 -0.14 0.03 0.00 -1.10 0.00 0.00 60.65 59.42 1jkf s ILE 346 Cb -0.03 -0.79 -0.02 0.00 -1.06 0.00 0.00 42.46 40.56 1jkf s ILE 346 CO -0.01 0.20 -0.16 0.00 -0.10 0.00 0.00 174.94 174.87 1jkf s ALA 347 N 1.87 2.57 -0.19 9.38 0.00 0.42 -4.93 121.76 130.89 1jkf s ALA 347 Ca 0.04 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1jkf s ALA 347 Cb -0.13 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.02 1jkf s ALA 347 CO -0.07 0.44 -0.12 -1.12 0.00 0.00 0.00 175.76 174.89 1jkf s SER 348 N -0.30 3.27 0.00 0.00 0.01 -1.26 -1.32 113.70 114.11 1jkf s SER 348 Ca 0.02 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1jkf s SER 348 Cb -0.13 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1jkf s SER 348 CO 0.03 -0.11 0.00 0.00 0.41 0.00 0.00 173.24 173.56 1jkf n TYR 349 N 4.68 0.00 -0.09 2.43 9.36 0.44 -4.96 117.16 129.03 1jkf n TYR 349 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1jkf n TYR 349 Cb 0.47 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 1jkf n TYR 349 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1jkf n ASN 350 N 0.00 -1.39 0.00 2.98 2.85 -1.25 -4.88 115.26 113.57 1jkf n ASN 350 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1jkf n ASN 350 Cb 0.00 0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1jkf n ASN 350 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1jkf n HIS 351 N 0.64 0.00 -0.09 1.20 -0.00 0.40 -4.90 115.22 112.47 1jkf n HIS 351 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1jkf n HIS 351 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1jkf n HIS 351 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1jkf n SER 411 N 0.00 -0.52 -4.15 0.26 7.64 -1.26 -3.86 113.62 111.73 1jkf n SER 411 Ca 0.00 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 1jkf n SER 411 Cb 0.00 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 1jkf n SER 411 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1jkf s LYS 412 N -0.17 0.83 0.08 1.43 1.02 -0.79 -4.84 119.74 117.30 1jkf s LYS 412 Ca 0.04 -1.35 0.09 0.00 0.02 0.00 0.00 55.97 54.76 1jkf s LYS 412 Cb -0.02 -0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.25 1jkf s LYS 412 CO 0.07 -0.11 -0.24 0.14 -0.92 0.00 0.00 175.35 174.30 1jkf s VAL 413 N -3.80 1.93 0.03 3.17 -7.23 -1.25 -2.44 120.40 110.81 1jkf s VAL 413 Ca 0.15 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1jkf s VAL 413 Cb 0.07 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1jkf s VAL 413 CO -0.04 0.14 -0.09 0.00 -0.31 0.00 0.00 175.10 174.80 1jkf s ALA 414 N -0.96 0.72 -0.00 1.32 0.00 0.20 0.15 121.76 123.19 1jkf s ALA 414 Ca 0.10 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1jkf s ALA 414 Cb -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1jkf s ALA 414 CO 0.04 0.10 -0.03 -1.64 0.00 0.00 0.00 175.76 174.22 1jkf s MET 415 N -0.98 0.28 -0.06 0.00 -1.94 -1.26 -0.29 119.30 115.05 1jkf s MET 415 Ca -0.03 -0.15 -0.01 0.00 -1.71 0.00 0.00 55.69 53.79 1jkf s MET 415 Cb -0.07 -0.25 0.03 0.00 2.01 0.00 0.00 34.83 36.55 1jkf s MET 415 CO 0.00 0.07 0.00 -0.51 -0.01 0.00 0.00 175.02 174.57 1jkf s ASP 416 N -0.17 1.23 -0.21 3.03 1.01 -0.54 -0.42 116.67 120.61 1jkf s ASP 416 Ca 0.00 -0.06 -0.05 0.00 0.71 0.00 0.00 52.55 53.16 1jkf s ASP 416 Cb -0.02 -0.36 -0.02 0.00 1.01 0.00 0.00 42.92 43.53 1jkf s ASP 416 CO -0.00 -0.17 -0.01 -1.61 0.21 0.00 0.00 175.17 173.59 1jkf s GLU 417 N 1.70 3.55 -0.20 8.23 0.41 -0.43 -1.17 118.70 130.79 1jkf s GLU 417 Ca 0.00 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 54.00 1jkf s GLU 417 Cb -0.13 -3.06 0.01 0.00 -1.78 0.00 0.00 34.13 29.17 1jkf s GLU 417 CO -0.04 -0.05 -0.14 0.71 -0.49 0.00 0.00 175.26 175.26 1jkf s TYR 418 N 1.14 2.85 -0.27 1.61 1.51 -0.67 -0.43 117.35 123.09 1jkf s TYR 418 Ca 0.02 -1.35 -0.03 0.00 -1.01 0.00 0.00 57.07 54.71 1jkf s TYR 418 Cb -0.14 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1jkf s TYR 418 CO 0.01 -0.70 -0.01 -0.47 -1.11 0.00 0.00 175.55 173.27 1jkf s TYR 419 N 1.36 3.13 0.04 2.71 6.04 0.56 -1.90 117.35 129.28 1jkf s TYR 419 Ca 0.05 -1.48 0.06 0.00 0.04 0.00 0.00 57.07 55.74 1jkf s TYR 419 Cb -0.14 -2.12 -0.02 0.00 -1.04 0.00 0.00 41.96 38.64 1jkf s TYR 419 CO -0.09 -0.71 -0.17 -1.54 -1.54 0.00 0.00 175.55 171.51 1jkf s SER 420 N 1.35 1.97 0.25 4.32 1.04 -1.05 -0.57 113.70 121.01 1jkf s SER 420 Ca -0.00 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.66 1jkf s SER 420 Cb -0.17 -0.15 -0.09 0.00 0.10 0.00 0.00 66.02 65.71 1jkf s SER 420 CO -0.02 0.09 1.06 -1.61 0.98 0.00 0.00 173.24 173.74 1jkf s GLU 421 N -1.09 4.68 0.00 4.02 2.02 -0.74 -2.27 118.70 125.32 1jkf s GLU 421 Ca 0.04 1.72 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1jkf s GLU 421 Cb -0.08 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1jkf s GLU 421 CO 0.01 0.26 0.00 1.28 0.02 0.00 0.00 175.26 176.83 1jkf n LEU 422 N 1.48 0.00 -4.75 1.80 4.77 0.85 -3.15 117.00 118.00 1jkf n LEU 422 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1jkf n LEU 422 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1jkf n LEU 422 CO 0.53 -0.13 0.42 0.00 -1.33 0.00 0.00 177.39 176.88 1jkf s MET 423 N 0.94 4.44 -0.97 3.23 0.23 -1.26 -4.32 119.30 121.59 1jkf s MET 423 Ca 0.00 0.97 -0.01 0.00 -1.03 0.00 0.00 55.69 55.61 1jkf s MET 423 Cb 0.00 -3.36 0.00 0.00 -1.53 0.00 0.00 34.83 29.94 1jkf s MET 423 CO 0.00 0.30 0.82 1.28 -2.03 0.00 0.00 175.02 175.39 1jkf n LEU 424 N 2.79 -3.52 0.00 0.18 4.77 -1.26 -2.94 117.00 117.02 1jkf n LEU 424 Ca -0.04 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1jkf n LEU 424 Cb 0.50 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 1jkf n LEU 424 CO 0.46 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1jkf n GLY 425 N -1.21 0.92 3.84 -0.72 0.00 -1.26 -5.02 105.19 101.74 1jkf n GLY 425 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1jkf n GLY 425 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkf s GLY 426 N -2.00 1.86 0.05 -0.02 0.00 -1.15 -4.92 107.32 101.13 1jkf s GLY 426 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1jkf s GLY 426 CO 0.00 0.40 -0.05 0.30 0.00 0.00 0.00 173.10 173.75 1jkf s HIS 427 N -2.86 0.58 -0.01 1.90 3.76 -1.26 -0.11 115.29 117.29 1jkf s HIS 427 Ca 0.58 -0.68 0.03 0.00 -0.15 0.00 0.00 55.06 54.84 1jkf s HIS 427 Cb -0.12 -0.37 -0.00 0.00 1.11 0.00 0.00 32.58 33.20 1jkf s HIS 427 CO 0.45 -0.17 -0.09 1.21 -0.85 0.00 0.00 174.74 175.29 1jkf s ASN 428 N -2.06 1.08 -0.16 1.40 3.84 -0.96 -4.87 114.94 113.20 1jkf s ASN 428 Ca -0.04 -0.17 0.01 0.00 0.21 0.00 0.00 52.86 52.87 1jkf s ASN 428 Cb -0.04 -0.17 0.02 0.00 -0.55 0.00 0.00 41.25 40.52 1jkf s ASN 428 CO -0.03 0.10 -0.15 -0.60 -2.79 0.00 0.00 177.10 173.63 1jkf s ARG 429 N -0.09 2.44 -0.08 0.43 3.52 -1.26 -2.53 118.95 121.37 1jkf s ARG 429 Ca 0.02 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1jkf s ARG 429 Cb -0.05 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 31.04 1jkf s ARG 429 CO -0.00 -0.26 -0.08 0.42 -0.81 0.00 0.00 175.30 174.57 1jkf s ILE 430 N 1.42 3.55 -0.17 4.11 -1.09 -0.80 -4.99 121.20 123.22 1jkf s ILE 430 Ca 0.04 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1jkf s ILE 430 Cb -0.13 -2.46 0.03 0.00 -1.58 0.00 0.00 42.46 38.32 1jkf s ILE 430 CO -0.11 0.58 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.62 1jkf s SER 431 N -0.51 3.04 -0.30 3.58 0.01 -1.26 -1.67 113.70 116.59 1jkf s SER 431 Ca 0.07 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 1jkf s SER 431 Cb -0.12 -1.20 0.02 0.00 0.21 0.00 0.00 66.02 64.93 1jkf s SER 431 CO 0.02 -0.10 0.07 -0.63 0.41 0.00 0.00 173.24 173.01 1jkf s ILE 432 N 1.44 3.82 -0.19 1.44 -1.09 -0.32 -4.97 121.20 121.33 1jkf s ILE 432 Ca 0.02 -0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1jkf s ILE 432 Cb -0.15 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1jkf s ILE 432 CO -0.09 0.02 0.03 -2.28 -1.23 0.00 0.00 174.94 171.39 1jkf s HIS 433 N 1.46 3.12 -0.06 3.97 5.65 -1.26 -1.47 115.29 126.70 1jkf s HIS 433 Ca 0.01 -0.22 0.03 0.00 0.25 0.00 0.00 55.06 55.14 1jkf s HIS 433 Cb -0.18 -2.08 0.00 0.00 -1.18 0.00 0.00 32.58 29.14 1jkf s HIS 433 CO 0.02 -0.07 -0.15 1.21 -0.65 0.00 0.00 174.74 175.10 1jkf s ASN 434 N 0.75 2.00 -0.02 9.88 2.47 0.60 -4.99 114.94 125.64 1jkf s ASN 434 Ca 0.02 -0.33 0.01 0.00 0.42 0.00 0.00 52.86 52.98 1jkf s ASN 434 Cb -0.14 -0.74 0.00 0.00 -1.45 0.00 0.00 41.25 38.93 1jkf s ASN 434 CO 0.02 0.10 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.76 1jkf s VAL 435 N 0.33 0.43 0.00 -5.21 1.01 -1.26 -0.63 120.40 115.07 1jkf s VAL 435 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1jkf s VAL 435 Cb -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1jkf s VAL 435 CO 0.03 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.28 1jkf s GLU 437 N -2.00 4.19 0.00 0.00 2.56 -1.26 -1.88 118.70 120.30 1jkf s GLU 437 Ca 0.00 1.62 0.23 0.00 0.00 0.00 0.00 54.97 56.82 1jkf s GLU 437 Cb 0.00 -3.78 1.36 0.00 2.00 0.00 0.00 34.13 33.71 1jkf s GLU 437 CO 0.00 -0.76 1.76 -0.40 -0.56 0.00 0.00 175.26 175.30 1jkf n ASP 438 N 6.75 0.00 0.14 -1.70 3.85 -1.26 -2.70 116.55 121.63 1jkf n ASP 438 Ca 0.14 -0.88 0.02 0.00 -0.71 0.00 0.00 54.79 53.36 1jkf n ASP 438 Cb 0.45 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 40.31 1jkf n ASP 438 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1jkf h SER 439 N 0.00 0.00 0.06 -1.12 0.02 -1.96 0.84 113.55 111.38 1jkf h SER 439 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jkf h SER 439 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jkf h SER 439 CO 0.00 0.54 0.00 0.18 -1.14 0.00 0.00 176.83 176.41 1jkf n LEU 440 N -3.32 0.00 -0.05 5.07 4.77 -1.10 -0.07 117.00 122.30 1jkf n LEU 440 Ca 0.01 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1jkf n LEU 440 Cb 0.71 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1jkf n LEU 440 CO 0.40 -0.00 -0.82 -0.11 -1.33 0.00 0.00 177.39 175.53 1jkf n LEU 441 N -1.03 2.00 0.07 2.23 7.94 -0.82 -4.52 117.00 122.87 1jkf n LEU 441 Ca 0.21 0.02 -0.03 0.00 -1.11 0.00 0.00 56.01 55.10 1jkf n LEU 441 Cb 0.11 -0.31 0.21 0.00 0.53 0.00 0.00 43.42 43.96 1jkf n LEU 441 CO 0.17 0.46 0.66 0.00 -1.11 0.00 0.00 177.39 177.57 1jkf h ALA 442 N -0.15 1.08 0.51 1.96 0.00 0.87 -3.11 119.26 120.43 1jkf h ALA 442 Ca -0.23 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1jkf h ALA 442 Cb 1.28 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1jkf h ALA 442 CO -0.08 0.58 -0.25 1.15 0.00 0.00 0.00 179.25 180.65 1jkf h THR 443 N 0.28 0.37 -0.11 0.00 2.02 -0.72 -1.54 112.91 113.20 1jkf h THR 443 Ca 0.03 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1jkf h THR 443 Cb 0.79 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1jkf h THR 443 CO 0.06 0.05 0.11 1.55 0.37 0.00 0.00 175.52 177.66 1jkf h PRO 444 N -0.97 0.00 -0.24 6.66 0.13 -1.79 0.21 132.00 135.99 1jkf h PRO 444 Ca -0.07 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 1jkf h PRO 444 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1jkf h PRO 444 CO 0.12 0.00 -0.39 1.25 -0.23 0.00 0.00 178.00 178.75 1jkf h LEU 445 N 0.00 0.58 -0.45 1.56 6.46 -1.44 -1.75 115.31 120.27 1jkf h LEU 445 Ca 0.05 -0.25 -0.14 0.00 -0.12 0.00 0.00 57.88 57.42 1jkf h LEU 445 Cb 0.27 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1jkf h LEU 445 CO -0.00 0.91 -0.27 0.40 -0.62 0.00 0.00 178.44 178.85 1jkf h ILE 446 N 0.46 1.27 0.22 4.05 2.04 0.43 -0.94 117.51 125.03 1jkf h ILE 446 Ca 0.04 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 1jkf h ILE 446 Cb 0.88 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1jkf h ILE 446 CO 0.08 0.49 -0.14 0.40 0.00 0.00 0.00 178.15 178.98 1jkf h ILE 447 N 0.83 0.00 -0.91 -0.67 2.04 -1.15 -1.38 117.51 116.26 1jkf h ILE 447 Ca 0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.10 1jkf h ILE 447 Cb 0.86 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.79 1jkf h ILE 447 CO 0.08 0.00 -0.33 0.47 0.00 0.00 0.00 178.15 178.37 1jkf n ASP 448 N -3.12 -0.53 -0.13 1.72 10.43 -0.68 0.99 116.55 125.24 1jkf n ASP 448 Ca -0.04 1.58 -0.06 0.00 2.57 0.00 0.00 54.79 58.84 1jkf n ASP 448 Cb 0.14 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.72 1jkf n ASP 448 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1jkf h LEU 449 N 0.00 -0.88 -0.15 0.64 5.85 -0.89 0.24 115.31 120.12 1jkf h LEU 449 Ca 0.34 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 1jkf h LEU 449 Cb 0.57 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1jkf h LEU 449 CO -0.91 -0.28 0.08 -0.07 -0.34 0.00 0.00 178.44 176.92 1jkf h LEU 450 N -0.18 0.19 -0.13 2.25 3.38 0.18 -1.01 115.31 119.98 1jkf h LEU 450 Ca 0.20 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1jkf h LEU 450 Cb 0.49 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1jkf h LEU 450 CO -0.53 0.24 -0.05 0.58 0.09 0.00 0.00 178.44 178.76 1jkf h VAL 451 N 0.14 0.83 -0.66 1.22 2.07 -0.75 -2.42 116.25 116.67 1jkf h VAL 451 Ca 0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1jkf h VAL 451 Cb 0.09 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jkf h VAL 451 CO -0.01 0.00 0.14 0.24 0.02 0.00 0.00 177.57 177.96 1jkf h MET 452 N -0.03 1.05 0.00 1.57 2.86 -0.82 -1.90 114.93 117.67 1jkf h MET 452 Ca 0.07 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1jkf h MET 452 Cb 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1jkf h MET 452 CO -0.15 0.95 0.00 0.25 1.06 0.00 0.00 176.91 179.01 1jkf n THR 453 N -4.23 0.68 -0.03 2.22 -2.24 -0.40 -1.16 114.28 109.13 1jkf n THR 453 Ca 0.05 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1jkf n THR 453 Cb 0.27 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.55 1jkf n THR 453 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jkf h GLU 454 N 0.00 -0.05 -0.16 -0.78 4.22 -1.02 -3.09 114.58 113.71 1jkf h GLU 454 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1jkf h GLU 454 Cb 0.55 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1jkf h GLU 454 CO 0.00 0.62 -0.24 0.35 -2.18 0.00 0.00 179.01 177.55 1jkf h PHE 455 N -0.89 -0.65 0.00 0.92 3.57 -1.13 0.12 116.94 118.88 1jkf h PHE 455 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jkf h PHE 455 Cb 0.69 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1jkf h PHE 455 CO 0.17 -0.32 0.17 0.00 -2.23 0.00 0.00 178.31 176.10 1jkf n THR 457 N -2.09 0.00 -1.49 0.00 5.66 0.43 -3.58 114.28 113.21 1jkf n THR 457 Ca -0.01 -0.03 -0.04 0.00 -3.05 0.00 0.00 64.05 60.92 1jkf n THR 457 Cb 0.19 0.25 0.20 0.00 -1.55 0.00 0.00 70.33 69.42 1jkf n THR 457 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1jkf n ARG 458 N -1.30 1.82 -3.68 1.09 1.74 0.07 -4.91 116.66 111.49 1jkf n ARG 458 Ca 0.07 -3.23 -0.26 0.00 -0.77 0.00 0.00 57.85 53.66 1jkf n ARG 458 Cb 0.34 -1.80 -0.17 0.00 -1.02 0.00 0.00 32.46 29.80 1jkf n ARG 458 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jkf s VAL 459 N -3.28 0.23 0.09 1.55 1.01 -1.23 -0.08 120.40 118.69 1jkf s VAL 459 Ca 0.44 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1jkf s VAL 459 Cb 0.41 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1jkf s VAL 459 CO -0.01 -0.20 -0.05 -0.94 0.00 0.00 0.00 175.10 173.89 1jkf s SER 460 N 1.99 4.70 0.22 3.32 1.04 -0.24 -4.09 113.70 120.65 1jkf s SER 460 Ca 0.01 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.26 1jkf s SER 460 Cb -0.16 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.90 1jkf s SER 460 CO -0.08 0.18 -0.07 -0.72 0.98 0.00 0.00 173.24 173.53 1jkf s TYR 461 N -1.25 2.62 -0.17 5.02 -0.85 0.26 -0.48 117.35 122.49 1jkf s TYR 461 Ca 0.23 -0.23 -0.01 0.00 -0.52 0.00 0.00 57.07 56.54 1jkf s TYR 461 Cb -0.11 -1.22 0.04 0.00 0.38 0.00 0.00 41.96 41.05 1jkf s TYR 461 CO 0.16 0.57 -0.05 0.21 -1.52 0.00 0.00 175.55 174.92 1jkf s LYS 462 N -3.21 1.39 -0.56 -3.49 2.20 0.27 0.13 119.74 116.47 1jkf s LYS 462 Ca 0.28 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 55.08 1jkf s LYS 462 Cb -0.08 -2.04 0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1jkf s LYS 462 CO 0.17 -0.45 1.12 0.21 -0.36 0.00 0.00 175.35 176.04 1jkf s LYS 463 N 1.64 3.48 -0.15 4.03 2.20 -1.26 -0.33 119.74 129.35 1jkf s LYS 463 Ca 0.00 0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1jkf s LYS 463 Cb -0.16 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.12 1jkf s LYS 463 CO -0.08 -1.61 0.02 0.08 -0.36 0.00 0.00 175.35 173.41 1jkf s VAL 464 N 4.66 4.46 -0.91 4.02 1.01 0.86 -3.85 120.40 130.64 1jkf s VAL 464 Ca 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1jkf s VAL 464 Cb -0.09 -2.96 0.23 0.00 0.00 0.00 0.00 36.38 33.57 1jkf s VAL 464 CO 0.24 0.52 0.86 -0.67 0.00 0.00 0.00 175.10 176.05 1jkf n ASP 465 N 3.08 4.44 0.00 3.32 4.64 -1.26 -3.60 116.55 127.17 1jkf n ASP 465 Ca -0.17 -3.17 0.00 0.00 -1.38 0.00 0.00 54.79 50.06 1jkf n ASP 465 Cb 0.53 -1.06 0.00 0.00 -1.04 0.00 0.00 41.12 39.54 1jkf n ASP 465 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1jkf n PRO 466 N 2.14 0.00 -0.39 -0.67 -0.02 -1.26 0.23 135.00 135.03 1jkf n PRO 466 Ca 0.23 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 1jkf n PRO 466 Cb 0.37 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.11 1jkf n PRO 466 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jkf n VAL 467 N -0.94 1.49 0.00 -1.45 0.24 -1.26 -4.78 118.33 111.63 1jkf n VAL 467 Ca 0.00 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 1jkf n VAL 467 Cb 0.00 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1jkf n VAL 467 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jkf n LYS 468 N 0.70 0.00 0.00 7.34 5.02 0.14 -5.17 118.16 126.18 1jkf n LYS 468 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1jkf n LYS 468 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.69 1jkf n LYS 468 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jkf n GLU 469 N -1.00 0.00 -3.67 1.97 1.02 0.72 -4.77 120.64 114.91 1jkf n GLU 469 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1jkf n GLU 469 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1jkf n GLU 469 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jkf s ASP 470 N -4.00 5.48 0.00 1.62 -1.08 -1.25 -4.42 116.67 113.01 1jkf s ASP 470 Ca 0.00 -2.29 -0.12 0.00 -0.52 0.00 0.00 52.55 49.63 1jkf s ASP 470 Cb 0.00 -1.91 -0.14 0.00 -1.46 0.00 0.00 42.92 39.41 1jkf s ASP 470 CO 0.00 -0.54 0.90 0.00 0.52 0.00 0.00 175.17 176.05 1jkf n ALA 471 N 4.31 0.36 -1.90 3.66 0.00 -1.26 -4.43 120.51 121.24 1jkf n ALA 471 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1jkf n ALA 471 Cb 0.40 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1jkf n ALA 471 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkf n GLY 472 N 4.01 -4.04 0.00 0.00 0.00 -1.26 -5.10 105.19 98.80 1jkf n GLY 472 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1jkf n GLY 472 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jkf n LYS 473 N 1.04 0.00 -0.82 1.61 0.00 -1.26 -5.17 118.16 113.56 1jkf n LYS 473 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.02 1jkf n LYS 473 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.23 1jkf n LYS 473 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1jkf s PHE 474 N 0.00 1.72 0.01 5.64 0.40 -1.26 -4.90 117.98 119.59 1jkf s PHE 474 Ca 0.00 1.23 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 1jkf s PHE 474 Cb 0.00 -3.17 -0.01 0.00 0.51 0.00 0.00 43.02 40.34 1jkf s PHE 474 CO 0.00 -3.27 -0.09 -1.21 0.70 0.00 0.00 175.22 171.35 1jkf s GLU 475 N -4.68 0.69 0.75 0.44 0.41 0.12 -4.90 118.70 111.53 1jkf s GLU 475 Ca 0.67 -0.45 -0.11 0.00 -0.41 0.00 0.00 54.97 54.67 1jkf s GLU 475 Cb -0.22 -0.65 0.04 0.00 -1.78 0.00 0.00 34.13 31.52 1jkf s GLU 475 CO 0.61 0.17 1.08 -0.80 -0.49 0.00 0.00 175.26 175.82 1jkf s ASN 476 N -0.57 4.92 0.67 -0.19 0.01 -1.26 0.90 114.94 119.42 1jkf s ASN 476 Ca 0.01 1.51 -0.17 0.00 -0.71 0.00 0.00 52.86 53.50 1jkf s ASN 476 Cb -0.05 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 1jkf s ASN 476 CO 0.00 -1.73 1.00 0.49 -1.51 0.00 0.00 177.10 175.36 1jkf n PHE 477 N -3.30 0.87 -1.68 2.20 0.99 -1.26 -4.77 117.46 110.52 1jkf n PHE 477 Ca 0.07 0.41 -0.47 0.00 -0.00 0.00 0.00 57.45 57.46 1jkf n PHE 477 Cb 0.55 -2.12 -0.04 0.00 -1.00 0.00 0.00 39.48 36.86 1jkf n PHE 477 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1jkf n TYR 478 N -2.15 2.35 0.00 1.38 9.36 -1.26 -4.75 117.16 122.09 1jkf n TYR 478 Ca 0.14 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1jkf n TYR 478 Cb 0.49 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.53 1jkf n TYR 478 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jkf n PRO 479 N 6.29 0.00 -1.89 2.98 -0.04 -1.26 -4.02 135.00 137.06 1jkf n PRO 479 Ca 0.21 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 1jkf n PRO 479 Cb 0.31 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.74 1jkf n PRO 479 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jkf s VAL 480 N -4.99 3.32 -1.17 0.52 1.01 -1.26 -1.17 120.40 116.66 1jkf s VAL 480 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1jkf s VAL 480 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1jkf s VAL 480 CO 0.00 -0.37 2.23 0.18 0.00 0.00 0.00 175.10 177.14 1jkf n LEU 481 N 11.46 5.96 -0.54 3.92 4.32 -0.86 -4.72 117.00 136.53 1jkf n LEU 481 Ca 0.25 -3.57 0.00 0.00 -0.02 0.00 0.00 56.01 52.67 1jkf n LEU 481 Cb 0.48 -1.38 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1jkf n LEU 481 CO 0.69 0.71 0.11 0.35 -1.22 0.00 0.00 177.39 178.02 1jkf n THR 482 N 5.01 0.03 -0.06 -5.08 -2.24 -1.26 -0.93 114.28 109.75 1jkf n THR 482 Ca 0.54 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.23 1jkf n THR 482 Cb 0.33 -0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 1jkf n THR 482 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jkf n PHE 483 N 0.34 0.57 1.57 4.78 0.99 -1.26 -3.98 117.46 120.46 1jkf n PHE 483 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1jkf n PHE 483 Cb 0.11 -1.11 0.00 0.00 -1.00 0.00 0.00 39.48 37.48 1jkf n PHE 483 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1jkf n LEU 484 N -2.92 0.02 0.19 4.37 4.32 -0.11 -4.05 117.00 118.83 1jkf n LEU 484 Ca -0.24 -0.01 0.14 0.00 -0.02 0.00 0.00 56.01 55.87 1jkf n LEU 484 Cb 1.10 -0.01 0.68 0.00 -1.62 0.00 0.00 43.42 43.57 1jkf n LEU 484 CO 0.44 0.01 0.90 0.28 -1.22 0.00 0.00 177.39 177.80 1jkf h SER 485 N 0.01 0.00 1.30 -1.43 0.02 -1.75 -1.82 113.55 109.87 1jkf h SER 485 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jkf h SER 485 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1jkf h SER 485 CO 0.00 0.00 0.00 0.22 -1.14 0.00 0.00 176.83 175.91 1jkf h TYR 486 N 0.00 0.00 -0.01 3.45 3.20 -1.87 -3.24 116.97 118.50 1jkf h TYR 486 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jkf h TYR 486 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1jkf h TYR 486 CO 0.00 0.00 -0.25 0.91 -1.64 0.00 0.00 178.16 177.18 1jkf n TRP 487 N -2.96 0.00 -4.17 -3.82 8.01 -0.69 -4.88 117.44 108.94 1jkf n TRP 487 Ca 0.02 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.90 1jkf n TRP 487 Cb 0.37 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.51 1jkf n TRP 487 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1jkf s LEU 488 N -1.80 1.80 0.25 -0.99 1.02 -1.22 -1.79 118.68 115.95 1jkf s LEU 488 Ca 0.13 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 1jkf s LEU 488 Cb 0.12 -1.24 0.46 0.00 0.02 0.00 0.00 46.19 45.55 1jkf s LEU 488 CO 0.33 -0.02 1.77 0.50 0.02 0.00 0.00 176.35 178.95 1jkf h LYS 489 N 7.86 0.62 -2.39 1.70 3.11 -1.69 -3.13 116.57 122.66 1jkf h LYS 489 Ca -0.38 -0.04 -0.70 0.00 -2.81 0.00 0.00 60.65 56.72 1jkf h LYS 489 Cb 1.15 -0.14 -0.35 0.00 -1.00 0.00 0.00 32.23 31.89 1jkf h LYS 489 CO 0.54 0.41 0.15 0.00 -2.81 0.00 0.00 179.45 177.74 1jkf n ALA 490 N -2.42 5.06 -1.12 5.00 0.00 -1.08 -4.97 120.51 120.98 1jkf n ALA 490 Ca 0.15 -4.72 -0.53 0.00 0.00 0.00 0.00 53.44 48.34 1jkf n ALA 490 Cb 0.37 -1.52 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 1jkf n ALA 490 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jkf n PRO 491 N 0.36 0.00 -0.59 0.00 -0.02 -1.18 -4.40 135.00 129.16 1jkf n PRO 491 Ca 0.34 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 1jkf n PRO 491 Cb 0.34 -1.32 0.26 0.00 -0.02 0.00 0.00 33.50 32.76 1jkf n PRO 491 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jkf s LEU 492 N 5.16 0.18 0.00 2.45 1.98 -1.20 -4.89 118.68 122.36 1jkf s LEU 492 Ca 1.05 1.17 -0.09 0.00 -2.89 0.00 0.00 54.13 53.37 1jkf s LEU 492 Cb -1.32 -2.91 0.03 0.00 0.66 0.00 0.00 46.19 42.65 1jkf s LEU 492 CO 0.59 -4.53 0.43 0.35 -1.89 0.00 0.00 176.35 171.30 1jkf n THR 493 N -5.10 0.00 -4.31 3.68 -2.24 -1.26 -4.89 114.28 100.16 1jkf n THR 493 Ca 0.07 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1jkf n THR 493 Cb 0.57 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 1jkf n THR 493 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkf s ARG 494 N -2.02 1.78 0.14 -0.78 1.70 -1.26 -5.07 118.95 113.44 1jkf s ARG 494 Ca 0.09 -1.21 -0.11 0.00 -0.47 0.00 0.00 55.73 54.03 1jkf s ARG 494 Cb -0.01 -2.10 -0.08 0.00 -0.57 0.00 0.00 34.95 32.19 1jkf s ARG 494 CO 0.03 0.47 0.14 -2.30 -1.08 0.00 0.00 175.30 172.56 1jkf n PRO 495 N 0.71 0.00 0.00 3.89 -0.02 -1.26 -3.67 135.00 134.66 1jkf n PRO 495 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1jkf n PRO 495 Cb 0.53 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 1jkf n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkf n GLY 496 N 1.01 1.01 3.65 -1.23 0.00 -1.26 -4.96 105.19 103.41 1jkf n GLY 496 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1jkf n GLY 496 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jkf s PHE 497 N 0.00 2.45 0.10 1.61 0.08 -1.24 -4.96 117.98 116.01 1jkf s PHE 497 Ca 0.00 0.68 -0.31 0.00 0.12 0.00 0.00 56.93 57.42 1jkf s PHE 497 Cb 0.00 -3.76 -0.09 0.00 -0.57 0.00 0.00 43.02 38.60 1jkf s PHE 497 CO 0.00 -2.51 1.65 -1.01 -0.10 0.00 0.00 175.22 173.25 1jkf s HIS 498 N 4.10 2.55 0.42 0.36 3.76 -1.26 -4.88 115.29 120.33 1jkf s HIS 498 Ca 0.63 0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 55.67 1jkf s HIS 498 Cb -0.25 -3.98 -0.12 0.00 1.11 0.00 0.00 32.58 29.35 1jkf s HIS 498 CO 0.22 -3.86 0.67 -2.30 -0.85 0.00 0.00 174.74 168.63 1jkf n PRO 499 N 5.22 0.76 0.00 8.40 -0.02 -1.26 -4.97 135.00 143.13 1jkf n PRO 499 Ca 0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1jkf n PRO 499 Cb 0.40 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1jkf n PRO 499 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1jkf n VAL 500 N -0.78 0.00 -1.42 -1.45 3.14 -1.26 -5.10 118.33 111.46 1jkf n VAL 500 Ca 0.11 0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1jkf n VAL 500 Cb 0.39 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 1jkf n VAL 500 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1jkf n ASN 501 N -0.99 -7.78 0.00 6.55 3.02 -1.26 -5.05 115.26 109.75 1jkf n ASN 501 Ca 0.00 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 1jkf n ASN 501 Cb 0.00 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 1jkf n ASN 501 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkf n GLY 502 N -1.17 -0.38 0.02 7.41 0.00 -1.26 -4.92 105.19 104.89 1jkf n GLY 502 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1jkf n GLY 502 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jkf n LEU 503 N 0.00 -0.05 -0.25 0.99 7.94 -1.26 0.13 117.00 124.50 1jkf n LEU 503 Ca 0.00 0.21 0.02 0.00 -1.11 0.00 0.00 56.01 55.13 1jkf n LEU 503 Cb 0.00 -0.07 0.10 0.00 0.53 0.00 0.00 43.42 43.98 1jkf n LEU 503 CO 0.00 -0.13 0.74 0.78 -1.11 0.00 0.00 177.39 177.67 1jkf h ASN 504 N 0.00 -0.59 0.42 1.96 2.35 -1.97 0.15 115.58 117.89 1jkf h ASN 504 Ca 0.01 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1jkf h ASN 504 Cb 0.02 0.42 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1jkf h ASN 504 CO -0.05 -0.23 -0.20 0.11 -1.65 0.00 0.00 177.43 175.41 1jkf h LYS 505 N 0.02 -0.55 -1.01 0.81 1.57 0.69 -1.71 116.57 116.39 1jkf h LYS 505 Ca 0.37 0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.44 1jkf h LYS 505 Cb 0.58 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.94 1jkf h LYS 505 CO -0.73 -0.25 0.67 1.96 -0.57 0.00 0.00 179.45 180.53 1jkf h GLN 506 N -0.83 0.34 0.02 3.15 4.20 -0.13 0.47 115.11 122.32 1jkf h GLN 506 Ca -0.06 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.41 1jkf h GLN 506 Cb 0.55 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1jkf h GLN 506 CO 0.10 0.22 -1.03 -0.09 -0.67 0.00 0.00 178.83 177.36 1jkf h ARG 507 N 0.35 0.05 0.00 1.46 2.43 -0.68 -3.03 114.38 114.95 1jkf h ARG 507 Ca 0.55 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.62 1jkf h ARG 507 Cb 1.49 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1jkf h ARG 507 CO -0.22 1.03 -0.09 1.15 -1.51 0.00 0.00 179.97 180.33 1jkf h THR 508 N 0.01 0.31 0.46 0.20 2.02 0.82 -2.18 112.91 114.56 1jkf h THR 508 Ca -0.03 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1jkf h THR 508 Cb 1.78 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1jkf h THR 508 CO 0.14 0.08 -0.22 0.00 0.37 0.00 0.00 175.52 175.89 1jkf h ALA 509 N 1.91 -0.62 -0.89 6.16 0.00 -1.03 -2.21 119.26 122.59 1jkf h ALA 509 Ca -0.00 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1jkf h ALA 509 Cb 0.41 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1jkf h ALA 509 CO 0.01 -0.62 0.58 -0.07 0.00 0.00 0.00 179.25 179.15 1jkf h LEU 510 N -1.09 0.53 -0.22 0.00 -0.00 -1.51 0.12 115.31 113.15 1jkf h LEU 510 Ca -0.06 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.79 1jkf h LEU 510 Cb 0.55 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1jkf h LEU 510 CO 0.10 0.24 -0.14 -0.33 -0.00 0.00 0.00 178.44 178.32 1jkf h GLU 511 N 0.55 0.48 -0.28 1.13 5.08 -1.43 -1.32 114.58 118.79 1jkf h GLU 511 Ca 0.46 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1jkf h GLU 511 Cb 0.94 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1jkf h GLU 511 CO -0.20 0.78 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.44 1jkf h ASN 512 N 0.18 0.54 1.20 1.42 2.35 -0.53 -0.72 115.58 120.01 1jkf h ASN 512 Ca 0.04 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1jkf h ASN 512 Cb 0.65 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1jkf h ASN 512 CO 0.04 0.78 -0.53 0.15 -1.65 0.00 0.00 177.43 176.22 1jkf h PHE 513 N 0.48 0.00 0.00 1.19 3.04 -0.83 -0.24 116.94 120.58 1jkf h PHE 513 Ca 0.07 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1jkf h PHE 513 Cb 0.68 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.18 1jkf h PHE 513 CO 0.02 0.53 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.62 1jkf h LEU 514 N 0.00 0.00 0.00 0.59 -0.00 -0.90 -2.98 115.31 112.03 1jkf h LEU 514 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1jkf h LEU 514 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1jkf h LEU 514 CO 0.07 0.16 -0.23 0.03 -0.00 0.00 0.00 178.44 178.46 1jkf h ARG 515 N 0.00 0.00 -0.99 1.13 3.08 -0.82 -3.35 114.38 113.43 1jkf h ARG 515 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1jkf h ARG 515 Cb 1.07 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.04 1jkf h ARG 515 CO 0.02 0.24 0.63 1.37 -1.07 0.00 0.00 179.97 181.16 1jkf h LEU 516 N -1.00 0.91 -1.40 3.04 8.10 -0.91 0.19 115.31 124.24 1jkf h LEU 516 Ca -0.03 0.04 0.31 0.00 0.11 0.00 0.00 57.88 58.31 1jkf h LEU 516 Cb 0.40 -0.14 -0.10 0.00 -0.44 0.00 0.00 40.66 40.38 1jkf h LEU 516 CO -0.02 0.50 0.71 0.25 -4.11 0.00 0.00 178.44 175.77 1jkf h LEU 517 N 0.98 0.38 -3.44 0.17 5.85 -1.67 0.57 115.31 118.15 1jkf h LEU 517 Ca 0.48 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 59.16 1jkf h LEU 517 Cb 0.47 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1jkf h LEU 517 CO -0.24 0.02 0.07 2.30 -0.34 0.00 0.00 178.44 180.25 1jkf n ILE 518 N -4.62 2.58 -2.27 4.05 -5.35 0.50 -4.78 119.36 109.46 1jkf n ILE 518 Ca 0.28 -2.07 -0.06 0.00 -0.27 0.00 0.00 62.75 60.62 1jkf n ILE 518 Cb 1.01 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1jkf n ILE 518 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jkf n GLY 519 N -0.62 0.22 3.51 3.28 0.00 0.20 -4.81 105.19 106.97 1jkf n GLY 519 Ca 0.32 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1jkf n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkf s LEU 520 N -1.92 3.25 0.40 0.99 1.02 -0.20 -4.93 118.68 117.29 1jkf s LEU 520 Ca 0.04 -0.11 0.31 0.00 0.02 0.00 0.00 54.13 54.39 1jkf s LEU 520 Cb -0.02 -1.77 1.33 0.00 0.02 0.00 0.00 46.19 45.75 1jkf s LEU 520 CO 0.05 0.19 1.35 -0.81 0.02 0.00 0.00 176.35 177.15 1jkf n PRO 521 N 3.36 -0.03 0.00 1.29 -0.04 -1.26 -2.90 135.00 135.42 1jkf n PRO 521 Ca -0.17 1.06 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1jkf n PRO 521 Cb 0.53 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1jkf n PRO 521 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jkf n SER 522 N -4.29 0.00 -1.24 3.54 2.88 -1.26 -5.01 113.62 108.23 1jkf n SER 522 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1jkf n SER 522 Cb 1.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.89 1jkf n SER 522 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jkf n GLN 523 N -0.86 0.00 -4.45 -1.46 6.02 -1.26 -4.95 117.38 110.42 1jkf n GLN 523 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1jkf n GLN 523 Cb 0.00 -0.46 -0.09 0.00 1.02 0.00 0.00 30.24 30.71 1jkf n GLN 523 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jkf s ASN 524 N -1.42 2.32 -0.05 1.08 2.20 -1.26 -5.06 114.94 112.75 1jkf s ASN 524 Ca 0.00 -1.53 0.07 0.00 -0.94 0.00 0.00 52.86 50.47 1jkf s ASN 524 Cb 0.00 0.26 0.11 0.00 -2.00 0.00 0.00 41.25 39.62 1jkf s ASN 524 CO 0.00 -0.80 1.04 -0.62 -2.94 0.00 0.00 177.10 173.79 1jkf n GLU 525 N -0.75 2.19 -2.17 3.55 -0.58 -1.26 -4.96 120.64 116.65 1jkf n GLU 525 Ca -0.03 -1.88 -0.39 0.00 -0.42 0.00 0.00 57.16 54.44 1jkf n GLU 525 Cb 0.66 -1.17 -0.01 0.00 -0.57 0.00 0.00 31.44 30.34 1jkf n GLU 525 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1jkf s LEU 526 N -1.68 4.24 -0.47 -4.62 1.43 -1.26 -4.92 118.68 111.40 1jkf s LEU 526 Ca 0.12 2.52 0.09 0.00 -1.03 0.00 0.00 54.13 55.83 1jkf s LEU 526 Cb 0.11 -3.91 0.35 0.00 0.03 0.00 0.00 46.19 42.77 1jkf s LEU 526 CO 0.01 -0.72 0.87 0.54 0.23 0.00 0.00 176.35 177.28 1jkf n ARG 527 N 0.22 2.22 -0.38 1.70 1.74 -1.26 -4.91 116.66 115.99 1jkf n ARG 527 Ca 0.03 -4.16 0.36 0.00 -0.77 0.00 0.00 57.85 53.32 1jkf n ARG 527 Cb 0.45 -1.97 0.73 0.00 -1.02 0.00 0.00 32.46 30.64 1jkf n ARG 527 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1jkf h PHE 528 N 2.97 0.11 0.00 -1.55 0.05 -1.93 1.67 116.94 118.25 1jkf h PHE 528 Ca 0.12 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.90 1jkf h PHE 528 Cb 0.75 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.67 1jkf h PHE 528 CO 0.67 -0.00 -0.06 1.05 -0.18 0.00 0.00 178.31 179.78 1jkf h GLU 529 N 0.05 0.00 0.00 1.51 9.09 -1.91 0.13 114.58 123.46 1jkf h GLU 529 Ca 0.63 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.73 1jkf h GLU 529 Cb 2.39 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 29.45 1jkf h GLU 529 CO -0.06 0.06 -2.06 -1.91 0.05 0.00 0.00 179.01 175.08 1jkf n GLU 530 N -3.98 0.42 0.09 1.06 2.13 0.53 -4.66 120.64 116.23 1jkf n GLU 530 Ca -0.03 0.16 -0.06 0.00 0.66 0.00 0.00 57.16 57.89 1jkf n GLU 530 Cb 0.15 -1.22 0.05 0.00 0.27 0.00 0.00 31.44 30.69 1jkf n GLU 530 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1jkf h ARG 531 N -0.54 0.16 -6.68 5.31 0.11 -0.55 -3.44 114.38 108.75 1jkf h ARG 531 Ca -0.47 -0.15 -0.50 0.00 0.10 0.00 0.00 59.98 58.96 1jkf h ARG 531 Cb 1.47 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 32.56 1jkf h ARG 531 CO -0.24 0.85 0.14 -0.51 0.10 0.00 0.00 179.97 180.31 1jkf s LEU 532 N -7.55 4.22 0.00 0.08 1.02 0.47 -5.00 118.68 111.92 1jkf s LEU 532 Ca -0.03 1.43 0.00 0.00 0.02 0.00 0.00 54.13 55.55 1jkf s LEU 532 Cb 0.11 -3.86 0.00 0.00 0.02 0.00 0.00 46.19 42.46 1jkf s LEU 532 CO 0.81 -0.08 0.15 -0.11 0.02 0.00 0.00 176.35 177.14