#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rjk s ASP 26 N 0.00 7.02 -0.11 1.61 3.84 -1.26 -5.00 116.67 122.77 2rjk s ASP 26 Ca 0.00 -2.87 -0.11 0.00 -0.00 0.00 0.00 52.55 49.57 2rjk s ASP 26 Cb 0.00 -2.41 -0.05 0.00 -1.38 0.00 0.00 42.92 39.08 2rjk s ASP 26 CO 0.00 -0.80 0.25 -0.54 -0.00 0.00 0.00 175.17 174.08 2rjk s LYS 27 N 1.82 3.88 0.25 2.11 1.02 -1.26 -4.97 119.74 122.59 2rjk s LYS 27 Ca 0.42 0.07 -0.31 0.00 0.02 0.00 0.00 55.97 56.17 2rjk s LYS 27 Cb -0.03 -3.29 -0.13 0.00 -0.52 0.00 0.00 37.83 33.86 2rjk s LYS 27 CO -0.01 0.55 1.41 -2.30 -0.92 0.00 0.00 175.35 174.08 2rjk n PRO 28 N 2.56 2.09 -3.71 -1.68 -0.02 -1.25 -4.62 135.00 128.37 2rjk n PRO 28 Ca -0.16 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 61.93 2rjk n PRO 28 Cb 0.53 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 2rjk n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rjk s ARG 29 N -0.55 0.66 -0.18 -0.52 0.52 -1.10 -1.36 118.95 116.43 2rjk s ARG 29 Ca 0.67 0.20 -0.16 0.00 -0.52 0.00 0.00 55.73 55.92 2rjk s ARG 29 Cb -0.63 0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.19 2rjk s ARG 29 CO 0.51 -0.15 0.46 0.00 0.02 0.00 0.00 175.30 176.14 2rjk s ALA 30 N -0.67 -1.16 -0.17 2.13 0.00 -0.56 -1.47 121.76 119.87 2rjk s ALA 30 Ca -0.08 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.25 2rjk s ALA 30 Cb -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2rjk s ALA 30 CO 0.04 -0.23 -0.19 -1.58 0.00 0.00 0.00 175.76 173.80 2rjk s HIS 31 N 0.37 2.63 0.10 0.00 5.04 -0.27 -1.33 115.29 121.83 2rjk s HIS 31 Ca -0.01 -1.52 0.07 0.00 -1.54 0.00 0.00 55.06 52.07 2rjk s HIS 31 Cb -0.04 -1.83 -0.04 0.00 0.04 0.00 0.00 32.58 30.71 2rjk s HIS 31 CO -0.01 -0.75 -0.12 -0.51 -2.34 0.00 0.00 174.74 171.00 2rjk s LEU 32 N 1.27 2.93 0.13 8.88 1.43 0.16 -0.51 118.68 132.97 2rjk s LEU 32 Ca 0.03 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2rjk s LEU 32 Cb -0.13 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2rjk s LEU 32 CO -0.11 0.19 -0.16 0.42 0.23 0.00 0.00 176.35 176.91 2rjk s THR 33 N -1.18 1.52 0.65 5.49 -4.23 -0.86 -0.58 115.64 116.45 2rjk s THR 33 Ca 0.20 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 2rjk s THR 33 Cb -0.11 -1.62 -0.00 0.00 1.34 0.00 0.00 72.50 72.11 2rjk s THR 33 CO 0.12 -0.34 1.14 0.54 -0.54 0.00 0.00 174.62 175.54 2rjk s VAL 34 N -1.98 2.99 0.24 2.29 0.11 -0.20 -0.10 120.40 123.74 2rjk s VAL 34 Ca 0.11 0.50 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 2rjk s VAL 34 Cb -0.06 -3.06 -0.05 0.00 -1.53 0.00 0.00 36.38 31.68 2rjk s VAL 34 CO 0.04 -0.24 0.06 0.68 -3.33 0.00 0.00 175.10 172.31 2rjk s VAL 35 N -2.11 0.70 0.24 2.04 -7.23 -1.26 -4.59 120.40 108.19 2rjk s VAL 35 Ca 0.70 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.56 2rjk s VAL 35 Cb -0.24 -2.48 -0.12 0.00 0.56 0.00 0.00 36.38 34.10 2rjk s VAL 35 CO 0.39 -0.16 1.66 -1.14 -0.31 0.00 0.00 175.10 175.54 2rjk n ARG 36 N -0.42 2.68 -3.11 4.82 0.63 -1.26 -4.82 116.66 115.18 2rjk n ARG 36 Ca -0.02 0.96 -0.39 0.00 -0.92 0.00 0.00 57.85 57.48 2rjk n ARG 36 Cb 0.65 -2.78 -0.06 0.00 0.45 0.00 0.00 32.46 30.73 2rjk n ARG 36 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2rjk s GLN 37 N 0.48 4.40 -0.22 -0.14 -1.52 -1.26 -5.02 119.66 116.39 2rjk s GLN 37 Ca 0.71 0.97 -0.19 0.00 -1.95 0.00 0.00 55.36 54.90 2rjk s GLN 37 Cb -0.52 -3.23 -0.03 0.00 -0.22 0.00 0.00 33.01 29.01 2rjk s GLN 37 CO 0.39 0.59 0.55 0.95 -0.25 0.00 0.00 175.29 177.52 2rjk s THR 38 N -1.15 5.07 0.29 -0.19 -4.23 -1.26 -4.98 115.64 109.19 2rjk s THR 38 Ca 0.33 1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.55 2rjk s THR 38 Cb -0.21 -3.87 -0.12 0.00 1.34 0.00 0.00 72.50 69.63 2rjk s THR 38 CO 0.23 0.13 1.42 -2.65 -0.54 0.00 0.00 174.62 173.21 2rjk n PRO 39 N 5.07 2.26 0.00 3.99 -0.02 -1.26 -5.09 135.00 139.94 2rjk n PRO 39 Ca -0.04 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2rjk n PRO 39 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2rjk n PRO 39 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2rjk n THR 40 N 1.33 0.00 -0.40 3.45 5.66 -1.26 -5.30 114.28 117.77 2rjk n THR 40 Ca 0.08 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.15 2rjk n THR 40 Cb 0.35 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.35 2rjk n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rjk n GLN 46 N 0.00 2.99 -3.22 1.09 -0.00 -1.26 -5.19 117.38 111.78 2rjk n GLN 46 Ca 0.00 -2.38 -0.46 0.00 -0.00 0.00 0.00 57.00 54.16 2rjk n GLN 46 Cb 0.00 -1.49 -0.04 0.00 -0.00 0.00 0.00 30.24 28.71 2rjk n GLN 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2rjk s PHE 47 N -1.40 3.23 0.58 2.61 0.40 -1.26 -4.97 117.98 117.16 2rjk s PHE 47 Ca 0.34 -1.29 -0.20 0.00 -0.60 0.00 0.00 56.93 55.19 2rjk s PHE 47 Cb 0.20 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.79 2rjk s PHE 47 CO 0.19 -1.14 1.23 -1.25 0.70 0.00 0.00 175.22 174.95 2rjk s PRO 48 N 1.81 3.04 0.29 0.24 0.04 -1.23 -4.55 135.00 134.65 2rjk s PRO 48 Ca 0.10 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 2rjk s PRO 48 Cb -0.24 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 2rjk s PRO 48 CO 0.02 -1.17 0.92 0.00 0.04 0.00 0.00 177.00 176.81 2rjk s ALA 49 N -1.53 3.26 0.51 8.56 0.00 -1.26 -2.30 121.76 129.00 2rjk s ALA 49 Ca 0.76 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 2rjk s ALA 49 Cb -0.32 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 2rjk s ALA 49 CO 0.36 0.20 0.99 -0.51 0.00 0.00 0.00 175.76 176.79 2rjk s LEU 50 N -1.88 3.63 0.23 0.00 1.43 -0.03 -4.98 118.68 117.07 2rjk s LEU 50 Ca 0.48 1.59 0.11 0.00 -1.03 0.00 0.00 54.13 55.27 2rjk s LEU 50 Cb -0.20 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 2rjk s LEU 50 CO 0.25 -0.60 -0.20 -1.38 0.23 0.00 0.00 176.35 174.65 2rjk s HIS 51 N -2.59 2.12 0.09 0.29 -3.43 -1.26 -4.74 115.29 105.77 2rjk s HIS 51 Ca 0.59 -0.40 0.02 0.00 -0.80 0.00 0.00 55.06 54.48 2rjk s HIS 51 Cb -0.10 -0.98 -0.04 0.00 -1.43 0.00 0.00 32.58 30.03 2rjk s HIS 51 CO 0.31 0.54 -0.08 -1.58 -2.00 0.00 0.00 174.74 171.93 2rjk s TRP 52 N -2.29 0.92 0.10 0.38 0.52 -1.26 -4.29 118.94 113.01 2rjk s TRP 52 Ca 0.24 -0.78 -0.30 0.00 0.02 0.00 0.00 56.10 55.28 2rjk s TRP 52 Cb -0.05 -0.52 -0.06 0.00 -1.15 0.00 0.00 33.47 31.69 2rjk s TRP 52 CO 0.11 -0.09 1.01 -2.00 0.02 0.00 0.00 176.95 176.00 2rjk s GLU 53 N -3.25 4.63 0.00 4.98 2.56 0.86 -4.92 118.70 123.56 2rjk s GLU 53 Ca 0.07 1.53 0.00 0.00 0.00 0.00 0.00 54.97 56.57 2rjk s GLU 53 Cb 0.01 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.77 2rjk s GLU 53 CO -0.03 0.09 0.29 -2.39 -0.56 0.00 0.00 175.26 172.67 2rjk n HIS 54 N 3.02 0.00 -0.02 5.30 1.44 -1.26 -2.04 115.22 121.66 2rjk n HIS 54 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2rjk n HIS 54 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 2rjk n HIS 54 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2rjk n GLU 55 N -0.21 4.51 -3.28 -1.40 0.28 -1.25 -2.57 120.64 116.72 2rjk n GLU 55 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 2rjk n GLU 55 Cb 0.04 -0.38 -0.04 0.00 1.43 0.00 0.00 31.44 32.50 2rjk n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2rjk s LEU 56 N 0.00 4.05 0.00 -1.84 1.43 -1.26 -4.68 118.68 116.37 2rjk s LEU 56 Ca 0.00 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2rjk s LEU 56 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2rjk s LEU 56 CO 0.00 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2rjk n GLY 57 N -0.79 3.63 0.02 -3.19 0.00 -1.26 -2.39 105.19 101.21 2rjk n GLY 57 Ca -0.00 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.05 2rjk n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rjk n LEU 58 N 0.00 0.33 -4.79 0.99 4.77 -1.26 -4.89 117.00 112.15 2rjk n LEU 58 Ca 0.00 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 2rjk n LEU 58 Cb 0.00 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2rjk n LEU 58 CO 0.00 0.08 0.73 0.00 -1.33 0.00 0.00 177.39 176.87 2rjk s ALA 59 N -2.92 2.78 -0.04 -1.18 0.00 -1.00 -4.88 121.76 114.52 2rjk s ALA 59 Ca 0.15 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 2rjk s ALA 59 Cb 0.18 -3.27 0.11 0.00 0.00 0.00 0.00 23.12 20.14 2rjk s ALA 59 CO 0.61 -0.57 1.01 -0.59 0.00 0.00 0.00 175.76 176.21 2rjk s PHE 60 N -2.07 -0.24 0.02 0.00 -0.12 0.33 -3.97 117.98 111.93 2rjk s PHE 60 Ca 0.68 0.11 0.01 0.00 -0.05 0.00 0.00 56.93 57.67 2rjk s PHE 60 Cb -0.18 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.74 2rjk s PHE 60 CO 0.26 -0.47 -0.05 0.95 -0.05 0.00 0.00 175.22 175.87 2rjk s THR 61 N -2.90 0.33 0.19 -4.49 -4.23 -1.23 -1.11 115.64 102.21 2rjk s THR 61 Ca 0.08 -0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 59.67 2rjk s THR 61 Cb -0.01 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.50 2rjk s THR 61 CO -0.06 -0.24 0.71 -1.59 -0.54 0.00 0.00 174.62 172.90 2rjk s LYS 62 N -0.99 1.42 -1.43 3.99 -2.85 -0.54 -4.97 119.74 114.36 2rjk s LYS 62 Ca -0.07 -0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 54.18 2rjk s LYS 62 Cb -0.07 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 2rjk s LYS 62 CO -0.00 -0.64 0.64 0.09 0.10 0.00 0.00 175.35 175.54 2rjk n ASN 63 N -0.41 -1.69 0.00 0.03 3.02 -1.26 -2.70 115.26 112.26 2rjk n ASN 63 Ca -0.10 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 2rjk n ASN 63 Cb 0.62 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 2rjk n ASN 63 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rjk n ARG 64 N -4.41 0.00 -1.81 3.52 1.74 -1.26 -3.79 116.66 110.64 2rjk n ARG 64 Ca -0.20 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 2rjk n ARG 64 Cb 0.63 -0.98 -0.03 0.00 -1.02 0.00 0.00 32.46 31.06 2rjk n ARG 64 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2rjk s MET 65 N -0.41 4.16 -0.12 5.56 1.75 -1.15 -4.50 119.30 124.60 2rjk s MET 65 Ca 0.00 2.51 -0.01 0.00 -1.25 0.00 0.00 55.69 56.94 2rjk s MET 65 Cb 0.00 -3.11 0.03 0.00 2.84 0.00 0.00 34.83 34.59 2rjk s MET 65 CO 0.00 -0.69 -0.07 1.21 -0.65 0.00 0.00 175.02 174.82 2rjk s ASN 66 N 1.17 2.25 -0.36 1.11 3.84 -1.20 -4.28 114.94 117.46 2rjk s ASN 66 Ca 0.73 -0.35 -0.19 0.00 0.21 0.00 0.00 52.86 53.26 2rjk s ASN 66 Cb -0.47 -0.82 0.00 0.00 -0.55 0.00 0.00 41.25 39.41 2rjk s ASN 66 CO 0.32 -0.14 0.54 -0.47 -2.79 0.00 0.00 177.10 174.56 2rjk s TYR 67 N 1.72 3.16 -0.16 0.43 5.04 -1.26 -1.10 117.35 125.18 2rjk s TYR 67 Ca 0.04 0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.76 2rjk s TYR 67 Cb -0.13 -3.00 0.06 0.00 0.35 0.00 0.00 41.96 39.24 2rjk s TYR 67 CO -0.08 -0.59 0.36 -0.08 -1.34 0.00 0.00 175.55 173.81 2rjk s THR 68 N 2.48 -0.24 -1.22 4.34 -1.32 -0.01 -4.92 115.64 114.75 2rjk s THR 68 Ca 0.20 0.15 -0.08 0.00 -1.21 0.00 0.00 61.69 60.75 2rjk s THR 68 Cb -0.15 -0.55 0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2rjk s THR 68 CO 0.14 0.06 1.06 -3.20 -2.21 0.00 0.00 174.62 170.48 2rjk n ASN 69 N 4.70 -5.77 0.00 8.08 5.15 -1.26 -1.85 115.26 124.31 2rjk n ASN 69 Ca -0.17 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 2rjk n ASN 69 Cb 0.52 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.18 2rjk n ASN 69 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2rjk n LYS 70 N -4.54 -0.32 -4.32 1.20 5.02 -1.26 -5.01 118.16 108.93 2rjk n LYS 70 Ca -0.00 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 2rjk n LYS 70 Cb 0.56 -3.55 -0.09 0.00 -0.02 0.00 0.00 35.03 31.93 2rjk n LYS 70 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2rjk s PHE 71 N -2.28 3.11 -0.24 2.13 0.08 -0.77 -4.65 117.98 115.36 2rjk s PHE 71 Ca 0.00 0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.95 2rjk s PHE 71 Cb 0.00 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2rjk s PHE 71 CO 0.00 0.46 0.74 -1.17 -0.10 0.00 0.00 175.22 175.15 2rjk s LEU 72 N -1.30 4.08 -0.22 -0.37 2.96 -0.12 -0.83 118.68 122.89 2rjk s LEU 72 Ca 0.17 0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 54.89 2rjk s LEU 72 Cb -0.11 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 2rjk s LEU 72 CO 0.07 -0.44 0.13 -0.22 -1.32 0.00 0.00 176.35 174.58 2rjk s LEU 73 N 2.60 4.03 -0.27 -0.68 2.96 -0.26 -0.62 118.68 126.45 2rjk s LEU 73 Ca 0.31 0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 54.10 2rjk s LEU 73 Cb -0.15 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2rjk s LEU 73 CO 0.08 0.10 0.76 -0.63 -1.32 0.00 0.00 176.35 175.35 2rjk s ILE 74 N 0.84 4.86 -0.54 6.68 -1.09 0.81 -3.25 121.20 129.51 2rjk s ILE 74 Ca 0.07 1.33 0.24 0.00 -2.23 0.00 0.00 60.65 60.05 2rjk s ILE 74 Cb -0.13 -4.08 0.19 0.00 -1.58 0.00 0.00 42.46 36.86 2rjk s ILE 74 CO 0.02 -0.11 1.49 1.55 -1.23 0.00 0.00 174.94 176.67 2rjk h PRO 75 N 7.88 0.00 -2.82 2.79 0.13 -1.89 0.25 132.00 138.34 2rjk h PRO 75 Ca -0.24 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.74 2rjk h PRO 75 Cb 1.10 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 2rjk h PRO 75 CO 0.85 0.00 -0.37 -2.00 -0.23 0.00 0.00 178.00 176.25 2rjk s GLU 76 N -3.20 0.32 0.41 0.86 2.12 -1.26 -4.78 118.70 113.18 2rjk s GLU 76 Ca 0.07 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 55.81 2rjk s GLU 76 Cb 0.10 -0.03 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 2rjk s GLU 76 CO 0.68 -0.15 1.07 -1.12 -0.54 0.00 0.00 175.26 175.21 2rjk s SER 77 N 1.19 6.64 0.00 -1.70 0.01 -1.26 -4.22 113.70 114.35 2rjk s SER 77 Ca -0.08 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2rjk s SER 77 Cb -0.08 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2rjk s SER 77 CO -0.09 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2rjk n GLY 78 N 0.32 -2.89 3.70 3.44 0.00 -0.11 -4.87 105.19 104.77 2rjk n GLY 78 Ca 0.06 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 2rjk n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rjk s ASP 79 N -0.15 6.32 0.08 1.61 1.01 -1.26 0.68 116.67 124.96 2rjk s ASP 79 Ca 0.00 0.37 0.09 0.00 0.71 0.00 0.00 52.55 53.72 2rjk s ASP 79 Cb 0.00 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 2rjk s ASP 79 CO 0.00 0.06 -0.25 -0.31 0.21 0.00 0.00 175.17 174.88 2rjk s TYR 80 N 0.81 2.15 -0.15 4.23 2.02 0.43 -1.16 117.35 125.69 2rjk s TYR 80 Ca 0.14 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.34 2rjk s TYR 80 Cb -0.13 -1.23 -0.05 0.00 -0.40 0.00 0.00 41.96 40.15 2rjk s TYR 80 CO 0.04 0.21 0.20 0.12 -1.57 0.00 0.00 175.55 174.55 2rjk s PHE 81 N -0.94 3.51 0.01 2.71 5.36 -0.33 -0.77 117.98 127.53 2rjk s PHE 81 Ca 0.11 0.52 0.04 0.00 -0.96 0.00 0.00 56.93 56.64 2rjk s PHE 81 Cb -0.10 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 2rjk s PHE 81 CO 0.04 0.44 -0.12 0.42 -1.46 0.00 0.00 175.22 174.54 2rjk s ILE 82 N -0.16 0.96 0.12 3.12 1.01 -0.10 -1.01 121.20 125.14 2rjk s ILE 82 Ca 0.14 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 2rjk s ILE 82 Cb -0.12 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.55 2rjk s ILE 82 CO 0.03 0.13 0.47 -0.72 0.00 0.00 0.00 174.94 174.85 2rjk s TYR 83 N -0.54 -0.33 -0.21 3.97 -0.85 -0.25 -0.98 117.35 118.16 2rjk s TYR 83 Ca 0.03 0.13 -0.24 0.00 -0.52 0.00 0.00 57.07 56.47 2rjk s TYR 83 Cb -0.06 0.35 0.06 0.00 0.38 0.00 0.00 41.96 42.69 2rjk s TYR 83 CO 0.00 -0.72 0.65 0.45 -1.52 0.00 0.00 175.55 174.41 2rjk s SER 84 N -2.60 -0.67 -0.05 -0.18 0.15 0.71 -0.55 113.70 110.52 2rjk s SER 84 Ca 0.01 1.21 0.06 0.00 0.70 0.00 0.00 55.95 57.93 2rjk s SER 84 Cb 0.01 1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 65.51 2rjk s SER 84 CO -0.10 -0.29 -0.25 -1.58 1.20 0.00 0.00 173.24 172.23 2rjk s GLN 85 N 0.09 2.46 -0.17 5.44 0.74 -0.69 -0.86 119.66 126.67 2rjk s GLN 85 Ca -0.02 -0.91 0.01 0.00 0.05 0.00 0.00 55.36 54.49 2rjk s GLN 85 Cb -0.04 -2.14 0.03 0.00 1.10 0.00 0.00 33.01 31.95 2rjk s GLN 85 CO 0.02 0.43 -0.15 0.08 -0.55 0.00 0.00 175.29 175.11 2rjk s VAL 86 N -0.27 1.75 -0.11 1.34 1.01 -0.63 -1.00 120.40 122.48 2rjk s VAL 86 Ca -0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 2rjk s VAL 86 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2rjk s VAL 86 CO 0.03 0.43 0.68 -0.89 0.00 0.00 0.00 175.10 175.35 2rjk s THR 87 N 1.41 5.04 0.09 3.92 2.01 -1.23 -0.94 115.64 125.93 2rjk s THR 87 Ca 0.04 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.45 2rjk s THR 87 Cb -0.13 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2rjk s THR 87 CO -0.11 0.20 0.02 -0.36 -0.69 0.00 0.00 174.62 173.69 2rjk s PHE 88 N 1.17 3.05 -0.06 4.92 0.08 0.14 -0.79 117.98 126.49 2rjk s PHE 88 Ca 0.35 0.01 -0.08 0.00 0.12 0.00 0.00 56.93 57.32 2rjk s PHE 88 Cb -0.17 -1.56 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2rjk s PHE 88 CO 0.15 0.49 0.21 -0.98 -0.10 0.00 0.00 175.22 174.99 2rjk s ARG 89 N -2.34 0.33 0.45 0.44 1.04 0.17 0.18 118.95 119.22 2rjk s ARG 89 Ca 0.27 0.13 -0.21 0.00 -1.04 0.00 0.00 55.73 54.88 2rjk s ARG 89 Cb -0.12 0.15 -0.10 0.00 -2.04 0.00 0.00 34.95 32.84 2rjk s ARG 89 CO 0.19 -0.06 0.98 0.20 -0.04 0.00 0.00 175.30 176.58 2rjk s GLY 90 N -0.27 2.43 -1.23 3.88 0.00 -0.62 -4.62 107.32 106.90 2rjk s GLY 90 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2rjk s GLY 90 CO 0.01 0.76 0.00 1.03 0.00 0.00 0.00 173.10 174.90 2rjk n MET 91 N -0.73 -1.15 0.00 2.90 2.81 -1.26 -4.64 117.12 115.06 2rjk n MET 91 Ca 0.08 0.70 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 2rjk n MET 91 Cb 0.53 -4.99 0.00 0.00 -0.71 0.00 0.00 33.22 28.05 2rjk n MET 91 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2rjk n LYS 106 N -2.38 0.00 -2.37 0.03 4.81 -1.26 -4.95 118.16 112.04 2rjk n LYS 106 Ca -0.17 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.90 2rjk n LYS 106 Cb 0.63 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.66 2rjk n LYS 106 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2rjk s PRO 107 N 0.00 3.93 0.17 1.64 0.04 -1.26 -4.94 135.00 134.57 2rjk s PRO 107 Ca 0.00 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2rjk s PRO 107 Cb 0.00 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 32.10 2rjk s PRO 107 CO 0.00 -0.38 1.41 -0.44 0.04 0.00 0.00 177.00 177.62 2rjk h ASP 108 N 2.24 0.38 -5.25 6.66 3.32 -1.97 -3.43 116.42 118.37 2rjk h ASP 108 Ca -0.49 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.22 2rjk h ASP 108 Cb 1.23 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 2rjk h ASP 108 CO 0.61 1.04 -0.13 -0.94 -1.72 0.00 0.00 179.24 178.09 2rjk s SER 109 N -6.97 -0.08 0.07 6.45 1.04 -1.26 -0.16 113.70 112.79 2rjk s SER 109 Ca -0.04 -0.95 0.06 0.00 0.48 0.00 0.00 55.95 55.50 2rjk s SER 109 Cb 0.10 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 2rjk s SER 109 CO 0.83 -1.13 -0.17 0.27 0.98 0.00 0.00 173.24 174.02 2rjk s ILE 110 N -4.02 1.37 -0.07 -1.02 -4.36 -0.04 -4.84 121.20 108.22 2rjk s ILE 110 Ca 0.23 -1.28 -0.05 0.00 -0.26 0.00 0.00 60.65 59.30 2rjk s ILE 110 Cb -0.00 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.48 2rjk s ILE 110 CO 0.09 -0.05 0.17 -0.89 0.24 0.00 0.00 174.94 174.50 2rjk s THR 111 N -1.06 -0.02 -0.05 8.37 2.01 -1.26 -0.70 115.64 122.94 2rjk s THR 111 Ca 0.03 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2rjk s THR 111 Cb -0.09 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2rjk s THR 111 CO 0.02 0.03 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.17 2rjk s VAL 112 N 0.61 3.18 -0.02 3.82 1.01 0.25 -1.53 120.40 127.72 2rjk s VAL 112 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2rjk s VAL 112 Cb -0.06 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2rjk s VAL 112 CO -0.03 0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 2rjk s VAL 113 N -0.77 0.29 -0.16 2.92 1.01 -0.35 -0.56 120.40 122.79 2rjk s VAL 113 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2rjk s VAL 113 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2rjk s VAL 113 CO 0.01 0.13 0.01 -0.63 0.00 0.00 0.00 175.10 174.62 2rjk s ILE 114 N 0.50 4.31 0.07 2.22 1.01 -0.49 -0.65 121.20 128.16 2rjk s ILE 114 Ca -0.05 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.44 2rjk s ILE 114 Cb -0.08 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 2rjk s ILE 114 CO -0.01 0.49 -0.16 -0.89 0.00 0.00 0.00 174.94 174.37 2rjk s THR 115 N 0.22 1.31 -0.11 2.92 2.01 -0.15 -0.61 115.64 121.23 2rjk s THR 115 Ca 0.01 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.76 2rjk s THR 115 Cb -0.13 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 2rjk s THR 115 CO 0.02 -0.08 -0.18 -0.75 -0.69 0.00 0.00 174.62 172.94 2rjk s LYS 116 N -1.55 3.21 -0.12 4.92 2.20 0.07 -1.47 119.74 127.00 2rjk s LYS 116 Ca 0.02 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 2rjk s LYS 116 Cb -0.09 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2rjk s LYS 116 CO 0.02 0.21 -0.09 0.08 -0.36 0.00 0.00 175.35 175.22 2rjk s VAL 117 N 0.31 3.46 -0.03 4.02 1.01 0.23 -0.38 120.40 129.01 2rjk s VAL 117 Ca -0.14 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2rjk s VAL 117 Cb -0.17 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2rjk s VAL 117 CO 0.07 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.57 2rjk s THR 118 N -0.01 2.18 0.14 3.92 2.01 -1.26 -0.70 115.64 121.91 2rjk s THR 118 Ca -0.01 -1.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.72 2rjk s THR 118 Cb -0.14 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 2rjk s THR 118 CO 0.03 0.58 1.67 0.44 -0.69 0.00 0.00 174.62 176.65 2rjk h ASP 119 N 5.63 -0.45 0.56 3.53 3.32 -1.95 -3.29 116.42 123.77 2rjk h ASP 119 Ca -0.40 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 2rjk h ASP 119 Cb 1.14 0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.92 2rjk h ASP 119 CO 0.47 -0.18 -0.27 0.77 -1.72 0.00 0.00 179.24 178.31 2rjk h SER 120 N -0.15 -0.64 -3.70 6.45 4.64 -1.98 -3.44 113.55 114.74 2rjk h SER 120 Ca 0.11 0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.91 2rjk h SER 120 Cb 0.31 0.16 0.10 0.00 -0.31 0.00 0.00 62.40 62.67 2rjk h SER 120 CO -0.27 -0.37 0.80 -1.22 -0.87 0.00 0.00 176.83 174.90 2rjk n TYR 121 N -4.48 2.93 0.01 4.77 0.53 -1.24 -4.98 117.16 114.70 2rjk n TYR 121 Ca -0.09 0.39 -0.10 0.00 -1.02 0.00 0.00 57.90 57.08 2rjk n TYR 121 Cb 0.30 -2.55 -0.08 0.00 -1.03 0.00 0.00 39.34 35.98 2rjk n TYR 121 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 2rjk h PRO 122 N 3.49 -0.13 -6.64 -0.72 0.13 -1.85 -3.40 132.00 122.88 2rjk h PRO 122 Ca -0.49 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 2rjk h PRO 122 Cb 1.24 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2rjk h PRO 122 CO 0.69 0.37 0.54 -1.21 -0.23 0.00 0.00 178.00 178.16 2rjk s GLU 123 N -2.93 4.50 0.39 0.86 8.01 -1.26 -4.91 118.70 123.36 2rjk s GLU 123 Ca -0.12 1.83 -0.26 0.00 0.01 0.00 0.00 54.97 56.42 2rjk s GLU 123 Cb -0.00 -3.26 -0.09 0.00 -4.31 0.00 0.00 34.13 26.47 2rjk s GLU 123 CO 0.46 -0.08 1.28 -1.25 0.01 0.00 0.00 175.26 175.68 2rjk s PRO 124 N -0.08 4.07 -0.22 0.39 0.04 -1.26 -4.77 135.00 133.17 2rjk s PRO 124 Ca 0.53 2.11 -0.08 0.00 0.04 0.00 0.00 61.00 63.61 2rjk s PRO 124 Cb -0.32 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2rjk s PRO 124 CO 0.35 -0.39 0.07 0.99 0.04 0.00 0.00 177.00 178.06 2rjk s THR 125 N -1.26 4.63 -0.16 1.26 2.01 0.49 -4.93 115.64 117.68 2rjk s THR 125 Ca 0.55 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2rjk s THR 125 Cb -0.37 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2rjk s THR 125 CO 0.48 0.39 1.29 -1.10 -0.69 0.00 0.00 174.62 175.00 2rjk s GLN 126 N 0.98 4.23 -0.13 4.92 -0.21 -1.26 -0.75 119.66 127.43 2rjk s GLN 126 Ca 0.04 1.70 -0.20 0.00 0.02 0.00 0.00 55.36 56.93 2rjk s GLN 126 Cb -0.14 -3.78 -0.25 0.00 1.00 0.00 0.00 33.01 29.83 2rjk s GLN 126 CO 0.03 -0.72 0.53 -0.07 -2.12 0.00 0.00 175.29 172.94 2rjk h LEU 127 N 9.78 0.23 -7.53 2.90 3.38 -1.22 -3.49 115.31 119.37 2rjk h LEU 127 Ca -0.27 -0.80 -0.22 0.00 0.09 0.00 0.00 57.88 56.67 2rjk h LEU 127 Cb 1.11 -0.07 -0.29 0.00 0.09 0.00 0.00 40.66 41.49 2rjk h LEU 127 CO 0.97 1.47 -0.60 -0.76 0.09 0.00 0.00 178.44 179.61 2rjk s LEU 128 N -7.76 1.16 -0.05 1.67 1.43 -1.14 -4.99 118.68 109.00 2rjk s LEU 128 Ca -0.21 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2rjk s LEU 128 Cb 0.03 0.36 0.02 0.00 0.03 0.00 0.00 46.19 46.63 2rjk s LEU 128 CO 0.72 -0.09 -0.05 -0.32 0.23 0.00 0.00 176.35 176.83 2rjk s MET 129 N 0.61 0.90 -0.24 1.70 1.75 -1.26 -1.40 119.30 121.36 2rjk s MET 129 Ca -0.05 -0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 2rjk s MET 129 Cb -0.06 -0.88 0.04 0.00 2.84 0.00 0.00 34.83 36.77 2rjk s MET 129 CO -0.03 -0.07 -0.12 0.20 -0.65 0.00 0.00 175.02 174.35 2rjk s GLY 130 N 0.88 1.59 -0.05 2.11 0.00 0.28 -5.01 107.32 107.12 2rjk s GLY 130 Ca -0.12 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.06 2rjk s GLY 130 CO 0.00 0.51 -0.14 -1.08 0.00 0.00 0.00 173.10 172.40 2rjk s THR 131 N 1.19 1.23 -0.05 0.90 -1.32 -1.26 -0.58 115.64 115.75 2rjk s THR 131 Ca -0.04 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2rjk s THR 131 Cb -0.18 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.76 2rjk s THR 131 CO -0.07 0.37 -0.02 -0.75 -2.21 0.00 0.00 174.62 171.94 2rjk s LYS 132 N 0.28 0.62 0.33 7.08 2.20 0.13 -4.99 119.74 125.39 2rjk s LYS 132 Ca -0.08 0.01 -0.27 0.00 -0.36 0.00 0.00 55.97 55.27 2rjk s LYS 132 Cb -0.13 -0.78 -0.09 0.00 -1.51 0.00 0.00 37.83 35.32 2rjk s LYS 132 CO 0.03 -0.16 1.07 -1.54 -0.36 0.00 0.00 175.35 174.38 2rjk s SER 133 N 1.26 7.06 -0.10 1.43 1.04 -1.26 -0.86 113.70 122.26 2rjk s SER 133 Ca -0.06 2.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.49 2rjk s SER 133 Cb -0.13 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 2rjk s SER 133 CO -0.02 -0.28 0.04 0.54 0.98 0.00 0.00 173.24 174.49 2rjk s VAL 134 N -1.38 4.61 -0.15 5.02 0.11 0.77 -4.87 120.40 124.51 2rjk s VAL 134 Ca 0.50 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.31 2rjk s VAL 134 Cb -0.27 -2.97 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 2rjk s VAL 134 CO 0.35 0.60 -0.08 0.00 -3.33 0.00 0.00 175.10 172.63 2rjk s GLU 136 N -2.22 3.50 0.48 0.00 1.03 -1.26 -5.10 118.70 115.13 2rjk s GLU 136 Ca -0.17 -0.37 -0.11 0.00 0.03 0.00 0.00 54.97 54.36 2rjk s GLU 136 Cb 0.03 -2.75 -0.06 0.00 -0.80 0.00 0.00 34.13 30.55 2rjk s GLU 136 CO 0.28 0.27 0.86 0.54 -1.33 0.00 0.00 175.26 175.89 2rjk s VAL 137 N -2.11 4.75 0.00 1.83 0.11 -1.26 -4.70 120.40 119.03 2rjk s VAL 137 Ca 0.39 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.12 2rjk s VAL 137 Cb -0.10 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2rjk s VAL 137 CO 0.32 -0.74 0.00 0.61 -3.33 0.00 0.00 175.10 171.96 2rjk n GLY 138 N -1.83 0.96 3.67 6.54 0.00 -1.26 -4.84 105.19 108.43 2rjk n GLY 138 Ca 0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 2rjk n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rjk s SER 139 N -4.00 -0.17 -0.74 1.61 0.15 -1.26 -4.68 113.70 104.61 2rjk s SER 139 Ca 0.00 -0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 2rjk s SER 139 Cb 0.00 0.36 0.39 0.00 -1.71 0.00 0.00 66.02 65.07 2rjk s SER 139 CO 0.00 -0.66 1.94 0.59 1.20 0.00 0.00 173.24 176.31 2rjk n ASN 140 N -0.42 7.32 -4.85 5.45 3.02 -1.26 -4.10 115.26 120.42 2rjk n ASN 140 Ca -0.07 -3.81 -0.32 0.00 -0.03 0.00 0.00 54.58 50.35 2rjk n ASN 140 Cb 0.61 -0.97 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 2rjk n ASN 140 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2rjk s TRP 141 N -3.94 3.49 0.03 3.10 1.48 -1.26 -4.88 118.94 116.95 2rjk s TRP 141 Ca 0.56 1.43 -0.09 0.00 -1.06 0.00 0.00 56.10 56.94 2rjk s TRP 141 Cb 0.46 -2.78 0.00 0.00 -1.16 0.00 0.00 33.47 30.00 2rjk s TRP 141 CO -0.24 -0.43 0.19 -0.59 -4.06 0.00 0.00 176.95 171.81 2rjk s PHE 142 N -2.73 0.05 -0.27 1.66 -0.71 -1.26 -1.59 117.98 113.13 2rjk s PHE 142 Ca 0.58 -0.24 -0.26 0.00 -1.04 0.00 0.00 56.93 55.98 2rjk s PHE 142 Cb -0.10 -0.03 0.12 0.00 -1.21 0.00 0.00 43.02 41.80 2rjk s PHE 142 CO 0.36 -0.40 1.02 1.14 -1.34 0.00 0.00 175.22 176.00 2rjk s GLN 143 N -2.33 0.52 0.06 1.99 -2.07 0.47 -4.96 119.66 113.34 2rjk s GLN 143 Ca -0.07 0.56 -0.16 0.00 -1.82 0.00 0.00 55.36 53.87 2rjk s GLN 143 Cb -0.02 0.25 -0.06 0.00 -1.09 0.00 0.00 33.01 32.09 2rjk s GLN 143 CO -0.03 -0.08 0.49 -1.25 -1.32 0.00 0.00 175.29 173.11 2rjk s PRO 144 N 0.08 4.02 -0.19 9.60 0.04 -1.26 0.28 135.00 147.57 2rjk s PRO 144 Ca 0.03 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.60 2rjk s PRO 144 Cb -0.04 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2rjk s PRO 144 CO -0.05 0.63 -0.18 0.42 0.04 0.00 0.00 177.00 177.86 2rjk s ILE 145 N -1.17 2.21 -0.05 0.56 1.01 -0.11 -4.96 121.20 118.69 2rjk s ILE 145 Ca 0.28 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2rjk s ILE 145 Cb -0.17 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2rjk s ILE 145 CO 0.17 0.48 -0.05 -0.47 0.00 0.00 0.00 174.94 175.07 2rjk s TYR 146 N 1.30 2.97 -0.09 3.97 5.04 -1.26 -1.60 117.35 127.68 2rjk s TYR 146 Ca 0.04 0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 54.63 2rjk s TYR 146 Cb -0.14 -1.69 0.03 0.00 0.35 0.00 0.00 41.96 40.50 2rjk s TYR 146 CO -0.11 0.37 0.24 -0.51 -1.34 0.00 0.00 175.55 174.20 2rjk s LEU 147 N -1.03 1.00 -0.17 6.97 1.43 -0.04 -4.99 118.68 121.85 2rjk s LEU 147 Ca 0.14 0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 53.54 2rjk s LEU 147 Cb -0.11 0.80 0.05 0.00 0.03 0.00 0.00 46.19 46.96 2rjk s LEU 147 CO 0.04 -0.09 0.51 -0.83 0.23 0.00 0.00 176.35 176.21 2rjk s GLY 148 N 0.28 -0.38 0.24 -3.19 0.00 -1.26 -0.21 107.32 102.80 2rjk s GLY 148 Ca -0.01 1.35 -0.21 0.00 0.00 0.00 0.00 44.72 45.85 2rjk s GLY 148 CO -0.01 1.14 0.89 0.00 0.00 0.00 0.00 173.10 175.12 2rjk s ALA 149 N 0.02 -1.35 -0.15 3.20 0.00 -0.15 -4.97 121.76 118.36 2rjk s ALA 149 Ca -0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 2rjk s ALA 149 Cb -0.03 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 2rjk s ALA 149 CO 0.02 -1.04 0.14 1.41 0.00 0.00 0.00 175.76 176.29 2rjk s MET 150 N -2.94 3.75 0.01 0.00 -2.45 -1.26 -0.92 119.30 115.50 2rjk s MET 150 Ca 0.15 -0.16 -0.00 0.00 -1.25 0.00 0.00 55.69 54.43 2rjk s MET 150 Cb -0.03 -3.28 -0.01 0.00 1.25 0.00 0.00 34.83 32.75 2rjk s MET 150 CO 0.06 0.58 -0.02 -0.06 1.05 0.00 0.00 175.02 176.63 2rjk s PHE 151 N -0.46 0.19 -0.22 4.11 0.08 0.05 -4.95 117.98 116.78 2rjk s PHE 151 Ca 0.12 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.56 2rjk s PHE 151 Cb -0.12 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.17 2rjk s PHE 151 CO 0.02 -0.14 0.69 -1.12 -0.10 0.00 0.00 175.22 174.57 2rjk s SER 152 N -1.10 6.71 0.25 1.36 0.01 -1.26 -0.43 113.70 119.24 2rjk s SER 152 Ca -0.12 0.87 0.11 0.00 1.31 0.00 0.00 55.95 58.12 2rjk s SER 152 Cb -0.08 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2rjk s SER 152 CO -0.01 -0.37 -0.18 -0.76 0.41 0.00 0.00 173.24 172.33 2rjk s LEU 153 N 2.34 2.65 0.01 2.44 1.43 0.22 -4.97 118.68 122.80 2rjk s LEU 153 Ca 0.30 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 2rjk s LEU 153 Cb -0.16 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2rjk s LEU 153 CO 0.09 0.06 0.01 -1.10 0.23 0.00 0.00 176.35 175.64 2rjk s GLN 154 N -3.27 2.77 0.10 1.70 -1.52 -1.26 -0.94 119.66 117.24 2rjk s GLN 154 Ca 0.27 -0.64 -0.35 0.00 -1.95 0.00 0.00 55.36 52.70 2rjk s GLN 154 Cb -0.06 -2.66 -0.18 0.00 -0.22 0.00 0.00 33.01 29.88 2rjk s GLN 154 CO 0.14 0.61 0.94 -1.91 -0.25 0.00 0.00 175.29 174.82 2rjk n GLU 155 N 1.24 0.29 0.00 2.91 2.13 -1.26 -1.04 120.64 124.91 2rjk n GLU 155 Ca -0.14 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2rjk n GLU 155 Cb 0.53 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2rjk n GLU 155 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rjk n GLY 156 N 1.79 3.32 3.73 8.31 0.00 0.87 -4.94 105.19 118.27 2rjk n GLY 156 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2rjk n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rjk s ASP 157 N -0.66 4.54 -0.05 1.61 1.01 -0.20 -4.57 116.67 118.33 2rjk s ASP 157 Ca 0.00 2.53 0.03 0.00 0.71 0.00 0.00 52.55 55.83 2rjk s ASP 157 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 2rjk s ASP 157 CO 0.00 -2.04 -0.14 -0.54 0.21 0.00 0.00 175.17 172.66 2rjk s LYS 158 N -3.51 1.67 0.02 8.23 1.02 0.12 -0.13 119.74 127.17 2rjk s LYS 158 Ca 0.80 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 56.37 2rjk s LYS 158 Cb -0.35 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2rjk s LYS 158 CO 0.40 0.12 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.27 2rjk s LEU 159 N 0.37 2.63 0.19 3.17 1.43 0.21 0.74 118.68 127.42 2rjk s LEU 159 Ca -0.09 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 2rjk s LEU 159 Cb -0.13 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2rjk s LEU 159 CO 0.03 0.27 0.29 0.00 0.23 0.00 0.00 176.35 177.17 2rjk s MET 160 N -1.30 1.24 -0.15 1.70 0.23 -0.54 -0.94 119.30 119.53 2rjk s MET 160 Ca 0.14 -1.29 0.02 0.00 -1.03 0.00 0.00 55.69 53.53 2rjk s MET 160 Cb -0.11 0.37 0.01 0.00 -1.53 0.00 0.00 34.83 33.57 2rjk s MET 160 CO 0.04 -0.46 -0.20 0.08 -2.03 0.00 0.00 175.02 172.46 2rjk s VAL 161 N -4.02 2.22 0.15 5.16 1.01 -1.26 -0.97 120.40 122.69 2rjk s VAL 161 Ca 0.23 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2rjk s VAL 161 Cb 0.03 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2rjk s VAL 161 CO 0.04 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 175.85 2rjk s ASN 162 N 0.94 4.66 0.08 3.32 0.01 0.18 -0.86 114.94 123.28 2rjk s ASN 162 Ca -0.04 -0.39 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 2rjk s ASN 162 Cb -0.15 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 2rjk s ASN 162 CO -0.04 0.12 -0.07 0.68 -1.51 0.00 0.00 177.10 176.28 2rjk s VAL 163 N -1.58 0.64 0.31 1.60 -7.23 -0.97 -1.21 120.40 111.95 2rjk s VAL 163 Ca 0.26 -1.72 0.12 0.00 -1.81 0.00 0.00 61.98 58.84 2rjk s VAL 163 Cb -0.10 -1.41 0.04 0.00 0.56 0.00 0.00 36.38 35.48 2rjk s VAL 163 CO 0.17 -0.75 1.72 0.77 -0.31 0.00 0.00 175.10 176.70 2rjk h SER 164 N 3.36 0.00 -1.39 4.85 4.64 -1.62 -3.27 113.55 120.12 2rjk h SER 164 Ca -0.35 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.90 2rjk h SER 164 Cb 1.17 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.01 2rjk h SER 164 CO 0.59 0.49 -0.43 -0.62 -0.87 0.00 0.00 176.83 175.98 2rjk s ASP 165 N -6.83 -0.59 0.51 4.97 -1.08 -1.26 -4.90 116.67 107.49 2rjk s ASP 165 Ca -0.02 0.09 0.16 0.00 -0.52 0.00 0.00 52.55 52.26 2rjk s ASP 165 Cb 0.13 1.59 1.23 0.00 -1.46 0.00 0.00 42.92 44.41 2rjk s ASP 165 CO 0.74 -0.31 2.12 0.40 0.52 0.00 0.00 175.17 178.63 2rjk h ILE 166 N 6.09 0.98 0.00 4.11 1.08 -1.94 -1.79 117.51 126.04 2rjk h ILE 166 Ca -0.10 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2rjk h ILE 166 Cb 1.15 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2rjk h ILE 166 CO 0.23 0.01 0.00 -1.54 -0.69 0.00 0.00 178.15 176.16 2rjk n SER 167 N -4.51 0.60 -0.10 1.72 3.41 -1.26 -2.19 113.62 111.29 2rjk n SER 167 Ca -0.00 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2rjk n SER 167 Cb 0.16 -0.74 0.39 0.00 -0.26 0.00 0.00 64.21 63.75 2rjk n SER 167 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rjk n LEU 168 N -2.10 0.63 -4.70 1.04 4.77 -0.67 -4.90 117.00 111.06 2rjk n LEU 168 Ca 0.05 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2rjk n LEU 168 Cb 0.34 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2rjk n LEU 168 CO 0.26 0.13 0.89 -0.69 -1.33 0.00 0.00 177.39 176.65 2rjk s VAL 169 N -2.74 4.20 -0.26 4.08 1.01 -0.93 -0.65 120.40 125.11 2rjk s VAL 169 Ca 0.19 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 2rjk s VAL 169 Cb 0.19 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2rjk s VAL 169 CO 0.59 0.07 1.05 -0.62 0.00 0.00 0.00 175.10 176.19 2rjk s ASP 170 N 1.22 7.05 0.00 3.32 -1.08 0.03 -4.87 116.67 122.34 2rjk s ASP 170 Ca 0.57 1.28 0.06 0.00 -0.52 0.00 0.00 52.55 53.94 2rjk s ASP 170 Cb -0.27 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 38.75 2rjk s ASP 170 CO 0.26 -0.73 0.86 0.00 0.52 0.00 0.00 175.17 176.09 2rjk n TYR 171 N 6.48 0.10 0.39 -5.34 0.18 -1.26 -4.62 117.16 113.09 2rjk n TYR 171 Ca 0.12 -0.19 0.13 0.00 1.88 0.00 0.00 57.90 59.84 2rjk n TYR 171 Cb 0.46 -0.01 0.52 0.00 -0.38 0.00 0.00 39.34 39.93 2rjk n TYR 171 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 2rjk h THR 172 N 1.17 0.00 -2.29 -3.48 1.35 -1.93 -3.40 112.91 104.33 2rjk h THR 172 Ca 0.00 -0.33 -0.05 0.00 -0.55 0.00 0.00 66.41 65.48 2rjk h THR 172 Cb 0.40 1.15 -0.23 0.00 -1.73 0.00 0.00 68.15 67.74 2rjk h THR 172 CO 0.00 0.00 -0.11 -0.54 -0.25 0.00 0.00 175.52 174.62 2rjk s LYS 173 N -3.37 0.59 0.27 4.72 -0.14 -1.26 -5.04 119.74 115.52 2rjk s LYS 173 Ca 0.04 1.00 0.23 0.00 -1.36 0.00 0.00 55.97 55.89 2rjk s LYS 173 Cb 0.09 0.11 1.02 0.00 -1.68 0.00 0.00 37.83 37.38 2rjk s LYS 173 CO 0.45 -0.14 1.71 -0.85 -0.76 0.00 0.00 175.35 175.76 2rjk n GLU 174 N 4.05 0.19 0.00 1.68 0.28 -1.26 -1.83 120.64 123.75 2rjk n GLU 174 Ca -0.20 0.46 0.12 0.00 -0.16 0.00 0.00 57.16 57.38 2rjk n GLU 174 Cb 0.57 -1.90 0.23 0.00 1.43 0.00 0.00 31.44 31.78 2rjk n GLU 174 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2rjk n ASP 175 N -2.26 1.67 -0.10 -1.84 5.75 -1.26 -4.33 116.55 114.18 2rjk n ASP 175 Ca 0.01 -1.32 -0.10 0.00 -0.01 0.00 0.00 54.79 53.37 2rjk n ASP 175 Cb 0.20 0.22 -0.15 0.00 -1.03 0.00 0.00 41.12 40.35 2rjk n ASP 175 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2rjk n LYS 176 N -0.09 0.73 -3.90 0.11 5.02 -0.76 -4.93 118.16 114.34 2rjk n LYS 176 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 2rjk n LYS 176 Cb 0.42 -1.51 -0.17 0.00 -0.02 0.00 0.00 35.03 33.75 2rjk n LYS 176 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2rjk s THR 177 N -2.48 0.19 0.22 -0.18 2.01 -1.24 -3.48 115.64 110.68 2rjk s THR 177 Ca -0.12 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 2rjk s THR 177 Cb 0.06 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.30 2rjk s THR 177 CO 0.80 0.17 0.84 0.72 -0.69 0.00 0.00 174.62 176.46 2rjk s PHE 178 N 1.24 -0.15 -0.28 4.92 -0.12 -0.17 -1.03 117.98 122.38 2rjk s PHE 178 Ca -0.07 -0.23 -0.13 0.00 -0.05 0.00 0.00 56.93 56.45 2rjk s PHE 178 Cb -0.13 0.68 0.10 0.00 -0.63 0.00 0.00 43.02 43.03 2rjk s PHE 178 CO -0.02 -1.04 0.65 0.12 -0.05 0.00 0.00 175.22 174.88 2rjk s PHE 179 N -3.57 -1.16 0.31 3.49 5.36 0.25 -1.70 117.98 120.96 2rjk s PHE 179 Ca 0.12 2.17 -0.02 0.00 -0.96 0.00 0.00 56.93 58.24 2rjk s PHE 179 Cb -0.04 0.68 -0.01 0.00 -0.34 0.00 0.00 43.02 43.32 2rjk s PHE 179 CO 0.05 -0.58 0.39 0.20 -1.46 0.00 0.00 175.22 173.82 2rjk s GLY 180 N 2.19 1.53 -0.28 13.12 0.00 0.29 0.39 107.32 124.56 2rjk s GLY 180 Ca -0.08 -1.58 -0.25 0.00 0.00 0.00 0.00 44.72 42.81 2rjk s GLY 180 CO -0.19 -1.10 0.92 0.00 0.00 0.00 0.00 173.10 172.73 2rjk s ALA 181 N -3.41 -1.91 -0.05 3.20 0.00 -0.45 -1.09 121.76 118.06 2rjk s ALA 181 Ca 0.33 1.94 -0.05 0.00 0.00 0.00 0.00 51.96 54.18 2rjk s ALA 181 Cb 0.01 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.79 2rjk s ALA 181 CO 0.19 -0.27 0.13 -0.59 0.00 0.00 0.00 175.76 175.22 2rjk s PHE 182 N 0.30 -0.13 0.16 0.00 -0.12 -0.18 -1.49 117.98 116.52 2rjk s PHE 182 Ca 0.02 0.31 -0.32 0.00 -0.05 0.00 0.00 56.93 56.90 2rjk s PHE 182 Cb -0.05 0.04 -0.10 0.00 -0.63 0.00 0.00 43.02 42.28 2rjk s PHE 182 CO -0.04 -0.09 1.57 -1.17 -0.05 0.00 0.00 175.22 175.45 2rjk s LEU 183 N -0.05 4.37 0.00 -1.99 2.96 -0.46 -1.18 118.68 122.32 2rjk s LEU 183 Ca -0.01 2.61 0.19 0.00 -0.22 0.00 0.00 54.13 56.70 2rjk s LEU 183 Cb -0.02 -3.59 1.11 0.00 0.50 0.00 0.00 46.19 44.20 2rjk s LEU 183 CO 0.00 -0.83 1.51 0.18 -1.32 0.00 0.00 176.35 175.89