#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8s s ASN 2 N 0.00 0.36 -0.17 -0.67 0.01 -1.26 -2.74 114.94 110.47 1j8s s ASN 2 Ca 0.00 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 1j8s s ASN 2 Cb 0.00 0.37 0.01 0.00 0.41 0.00 0.00 41.25 42.04 1j8s s ASN 2 CO 0.00 -0.21 -0.16 0.20 -1.51 0.00 0.00 177.10 175.41 1j8s s ASN 3 N 1.97 3.49 -0.08 -1.22 0.02 0.15 -2.84 114.94 116.43 1j8s s ASN 3 Ca -0.01 -0.54 0.03 0.00 -1.02 0.00 0.00 52.86 51.31 1j8s s ASN 3 Cb -0.12 -1.54 0.01 0.00 0.02 0.00 0.00 41.25 39.62 1j8s s ASN 3 CO -0.07 0.03 -0.16 -0.63 0.02 0.00 0.00 177.10 176.30 1j8s s ILE 4 N 1.11 1.44 -0.04 0.60 1.09 0.02 0.67 121.20 126.08 1j8s s ILE 4 Ca 0.00 -0.65 0.02 0.00 -1.10 0.00 0.00 60.65 58.92 1j8s s ILE 4 Cb -0.14 -1.28 0.01 0.00 -1.06 0.00 0.00 42.46 39.98 1j8s s ILE 4 CO -0.06 0.42 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.41 1j8s s VAL 5 N 0.59 0.90 -0.30 2.92 1.01 0.20 -1.00 120.40 124.72 1j8s s VAL 5 Ca -0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1j8s s VAL 5 Cb -0.16 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1j8s s VAL 5 CO 0.05 0.28 0.16 0.12 0.00 0.00 0.00 175.10 175.71 1j8s s PHE 6 N 0.37 3.17 -0.42 5.22 5.36 0.14 -0.39 117.98 131.43 1j8s s PHE 6 Ca -0.07 -0.36 -0.17 0.00 -0.96 0.00 0.00 56.93 55.37 1j8s s PHE 6 Cb -0.11 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.24 1j8s s PHE 6 CO 0.01 -0.37 0.42 0.71 -1.46 0.00 0.00 175.22 174.53 1j8s s TYR 7 N 1.66 3.18 -0.17 10.12 1.51 -1.26 -2.16 117.35 130.23 1j8s s TYR 7 Ca 0.06 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.49 1j8s s TYR 7 Cb -0.16 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 1j8s s TYR 7 CO 0.07 -0.69 0.62 0.45 -1.11 0.00 0.00 175.55 174.89 1j8s s SER 8 N 1.81 6.73 0.26 2.29 0.15 0.11 -4.23 113.70 120.81 1j8s s SER 8 Ca 0.11 0.88 -0.12 0.00 0.70 0.00 0.00 55.95 57.52 1j8s s SER 8 Cb -0.17 -2.35 -0.08 0.00 -1.71 0.00 0.00 66.02 61.71 1j8s s SER 8 CO 0.13 -0.22 0.62 -0.76 1.20 0.00 0.00 173.24 174.21 1j8s s LEU 9 N 1.59 4.15 -0.46 3.45 1.43 -0.10 -0.78 118.68 127.96 1j8s s LEU 9 Ca 0.30 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 1j8s s LEU 9 Cb -0.16 -3.79 0.20 0.00 0.03 0.00 0.00 46.19 42.47 1j8s s LEU 9 CO 0.11 -0.10 0.61 0.61 0.23 0.00 0.00 176.35 177.81 1j8s n GLY 10 N -0.12 0.94 3.71 -3.19 0.00 -1.26 -3.98 105.19 101.29 1j8s n GLY 10 Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1j8s n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j8s s ASP 11 N -0.21 5.04 -0.11 1.61 1.47 -1.26 -4.82 116.67 118.39 1j8s s ASP 11 Ca 0.32 -0.33 -0.01 0.00 1.18 0.00 0.00 52.55 53.71 1j8s s ASP 11 Cb 0.08 -1.16 -0.03 0.00 -0.34 0.00 0.00 42.92 41.48 1j8s s ASP 11 CO -0.14 0.07 -0.06 -0.69 0.68 0.00 0.00 175.17 175.03 1j8s s VAL 12 N -1.82 3.78 0.12 2.11 1.01 -1.26 -2.30 120.40 122.03 1j8s s VAL 12 Ca 0.29 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1j8s s VAL 12 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1j8s s VAL 12 CO 0.21 0.55 0.10 0.21 0.00 0.00 0.00 175.10 176.17 1j8s s ASN 13 N -0.25 0.26 0.06 3.32 3.84 -0.11 -4.99 114.94 117.07 1j8s s ASN 13 Ca 0.04 -1.03 0.05 0.00 0.21 0.00 0.00 52.86 52.13 1j8s s ASN 13 Cb -0.13 0.31 -0.03 0.00 -0.55 0.00 0.00 41.25 40.86 1j8s s ASN 13 CO 0.02 -0.74 -0.15 -0.44 -2.79 0.00 0.00 177.10 173.00 1j8s s SER 14 N -2.98 1.81 -0.09 -4.21 0.01 -1.26 0.51 113.70 107.49 1j8s s SER 14 Ca 0.17 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 1j8s s SER 14 Cb 0.06 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1j8s s SER 14 CO -0.02 0.01 -0.04 -0.47 0.41 0.00 0.00 173.24 173.13 1j8s s TYR 15 N -1.01 1.04 -0.25 2.43 5.04 -0.36 -4.91 117.35 119.34 1j8s s TYR 15 Ca 0.01 -0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 53.99 1j8s s TYR 15 Cb -0.09 -0.97 -0.01 0.00 0.35 0.00 0.00 41.96 41.24 1j8s s TYR 15 CO 0.02 -0.39 0.75 -1.14 -1.34 0.00 0.00 175.55 173.45 1j8s s GLN 16 N 1.69 4.16 0.04 4.97 2.00 -1.26 -0.62 119.66 130.63 1j8s s GLN 16 Ca 0.02 0.79 0.22 0.00 -2.00 0.00 0.00 55.36 54.39 1j8s s GLN 16 Cb -0.13 -3.65 -0.22 0.00 0.80 0.00 0.00 33.01 29.81 1j8s s GLN 16 CO -0.05 -0.47 0.65 0.41 -0.50 0.00 0.00 175.29 175.32 1j8s n GLY 17 N 3.91 -1.15 7.00 2.59 0.00 0.36 -4.95 105.19 112.95 1j8s n GLY 17 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1j8s n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j8s n GLY 18 N 1.26 -0.66 3.71 -0.02 0.00 -1.24 -4.78 105.19 103.46 1j8s n GLY 18 Ca -0.04 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1j8s n GLY 18 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j8s s ASN 19 N -4.00 7.38 0.14 1.61 0.01 -1.26 -0.27 114.94 118.56 1j8s s ASN 19 Ca 0.00 1.72 0.02 0.00 -0.71 0.00 0.00 52.86 53.89 1j8s s ASN 19 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1j8s s ASN 19 CO 0.00 -0.22 -0.04 0.68 -1.51 0.00 0.00 177.10 176.00 1j8s s VAL 20 N 0.76 0.80 0.03 1.60 -7.23 0.27 -4.91 120.40 111.72 1j8s s VAL 20 Ca 0.51 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 1j8s s VAL 20 Cb -0.22 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1j8s s VAL 20 CO 0.29 -0.66 -0.22 0.54 -0.31 0.00 0.00 175.10 174.73 1j8s s VAL 21 N -3.57 1.74 -1.41 1.32 0.11 -1.26 -1.36 120.40 115.98 1j8s s VAL 21 Ca 0.18 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1j8s s VAL 21 Cb 0.05 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 1j8s s VAL 21 CO 0.00 0.30 0.77 2.30 -3.33 0.00 0.00 175.10 175.14 1j8s n ILE 22 N 2.02 1.08 1.07 7.04 -6.64 -0.45 -0.21 119.36 123.28 1j8s n ILE 22 Ca -0.17 0.28 0.12 0.00 -1.77 0.00 0.00 62.75 61.21 1j8s n ILE 22 Cb 0.53 -1.28 0.18 0.00 -1.44 0.00 0.00 39.64 37.63 1j8s n ILE 22 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1j8s n THR 23 N -1.27 0.00 -2.72 7.28 -2.24 -1.26 -4.59 114.28 109.49 1j8s n THR 23 Ca 0.00 -0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 1j8s n THR 23 Cb 0.01 0.59 0.05 0.00 -2.10 0.00 0.00 70.33 68.87 1j8s n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1j8s s GLN 24 N -2.78 2.42 -0.51 -0.78 -0.21 0.71 -5.06 119.66 113.44 1j8s s GLN 24 Ca 0.15 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.61 1j8s s GLN 24 Cb 0.18 -2.51 0.21 0.00 1.00 0.00 0.00 33.01 31.89 1j8s s GLN 24 CO 0.66 -0.79 0.52 0.54 -2.12 0.00 0.00 175.29 174.11 1j8s n ARG 25 N -2.35 1.18 -1.67 2.91 1.74 -1.26 -4.40 116.66 112.82 1j8s n ARG 25 Ca 0.10 -3.76 -0.42 0.00 -0.77 0.00 0.00 57.85 52.99 1j8s n ARG 25 Cb 0.60 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1j8s n ARG 25 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1j8s n PRO 26 N 1.76 1.82 -3.57 5.56 -0.04 -1.23 -4.21 135.00 135.09 1j8s n PRO 26 Ca 0.25 0.64 -0.20 0.00 -0.04 0.00 0.00 63.50 64.16 1j8s n PRO 26 Cb 0.46 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 1j8s n PRO 26 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1j8s s GLN 27 N -1.96 2.90 -0.06 0.54 -2.07 -1.26 -0.57 119.66 117.18 1j8s s GLN 27 Ca 0.59 -1.18 -0.12 0.00 -1.82 0.00 0.00 55.36 52.83 1j8s s GLN 27 Cb -0.56 -2.65 0.02 0.00 -1.09 0.00 0.00 33.01 28.73 1j8s s GLN 27 CO 0.60 0.03 0.29 -0.59 -1.32 0.00 0.00 175.29 174.29 1j8s s PHE 28 N -2.26 -0.23 -0.16 9.60 -0.12 -0.57 -4.85 117.98 119.39 1j8s s PHE 28 Ca 0.45 0.48 -0.10 0.00 -0.05 0.00 0.00 56.93 57.70 1j8s s PHE 28 Cb -0.08 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.35 1j8s s PHE 28 CO 0.29 -0.27 0.18 0.42 -0.05 0.00 0.00 175.22 175.79 1j8s s ILE 29 N -0.63 5.40 -0.29 -4.49 1.01 -1.26 -1.86 121.20 119.08 1j8s s ILE 29 Ca -0.07 0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 1j8s s ILE 29 Cb -0.04 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1j8s s ILE 29 CO 0.02 0.48 0.05 -0.89 0.00 0.00 0.00 174.94 174.60 1j8s s THR 30 N -0.03 3.66 0.09 2.92 2.01 0.23 -4.98 115.64 119.54 1j8s s THR 30 Ca 0.12 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1j8s s THR 30 Cb -0.12 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1j8s s THR 30 CO 0.01 0.06 0.10 -0.44 -0.69 0.00 0.00 174.62 173.67 1j8s s SER 31 N 1.44 5.62 -0.35 3.53 0.01 -1.26 -1.07 113.70 121.61 1j8s s SER 31 Ca 0.01 0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 1j8s s SER 31 Cb -0.17 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 1j8s s SER 31 CO 0.01 0.16 0.40 0.86 0.41 0.00 0.00 173.24 175.08 1j8s s TRP 32 N -1.45 3.20 -0.11 2.43 -0.11 -1.26 -5.03 118.94 116.61 1j8s s TRP 32 Ca 0.30 -0.03 0.00 0.00 1.22 0.00 0.00 56.10 57.59 1j8s s TRP 32 Cb -0.12 -2.75 -0.02 0.00 -1.50 0.00 0.00 33.47 29.08 1j8s s TRP 32 CO 0.23 -0.49 -0.12 1.03 -4.62 0.00 0.00 176.95 172.98 1j8s s ARG 33 N 2.11 3.19 0.46 5.86 0.52 -1.26 -4.41 118.95 125.42 1j8s s ARG 33 Ca 0.13 -0.66 -0.25 0.00 -0.52 0.00 0.00 55.73 54.44 1j8s s ARG 33 Cb -0.16 -2.61 -0.08 0.00 0.52 0.00 0.00 34.95 32.62 1j8s s ARG 33 CO 0.12 0.34 1.42 -2.14 0.02 0.00 0.00 175.30 175.06 1j8s s PRO 34 N 0.04 3.62 0.00 3.54 0.02 -1.26 -4.95 135.00 136.00 1j8s s PRO 34 Ca -0.04 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1j8s s PRO 34 Cb -0.14 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1j8s s PRO 34 CO 0.04 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1j8s n GLY 35 N 0.59 -1.20 3.72 0.52 0.00 -0.23 -4.99 105.19 103.61 1j8s n GLY 35 Ca 0.06 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1j8s n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j8s s ILE 36 N -3.00 4.66 0.12 -0.61 -1.09 -1.26 -0.77 121.20 119.24 1j8s s ILE 36 Ca 0.00 1.99 0.10 0.00 -2.23 0.00 0.00 60.65 60.51 1j8s s ILE 36 Cb 0.00 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1j8s s ILE 36 CO 0.00 0.27 -0.21 0.00 -1.23 0.00 0.00 174.94 173.77 1j8s s ALA 37 N 0.32 2.57 -0.07 9.38 0.00 0.10 -4.38 121.76 129.69 1j8s s ALA 37 Ca 0.47 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1j8s s ALA 37 Cb -0.22 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1j8s s ALA 37 CO 0.28 0.57 -0.19 0.99 0.00 0.00 0.00 175.76 177.42 1j8s s THR 38 N -1.11 2.65 0.11 0.00 2.01 0.04 -1.98 115.64 117.36 1j8s s THR 38 Ca 0.16 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.00 1j8s s THR 38 Cb -0.10 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.31 1j8s s THR 38 CO 0.09 0.57 1.38 -0.69 -0.69 0.00 0.00 174.62 175.28 1j8s s VAL 39 N -0.33 3.34 0.00 3.82 1.01 0.28 0.10 120.40 128.62 1j8s s VAL 39 Ca 0.02 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1j8s s VAL 39 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1j8s s VAL 39 CO 0.02 0.07 0.45 0.35 0.00 0.00 0.00 175.10 175.99 1j8s n THR 40 N 3.98 0.15 -3.62 3.92 -2.24 -0.92 -0.80 114.28 114.74 1j8s n THR 40 Ca 0.11 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 1j8s n THR 40 Cb 0.42 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 1j8s n THR 40 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1j8s s TRP 41 N -0.15 -0.28 0.16 4.78 -0.00 -1.25 -4.89 118.94 117.31 1j8s s TRP 41 Ca 0.00 0.60 -0.22 0.00 -0.00 0.00 0.00 56.10 56.48 1j8s s TRP 41 Cb 0.00 0.44 0.06 0.00 -0.00 0.00 0.00 33.47 33.97 1j8s s TRP 41 CO 0.00 -0.19 0.58 0.54 -0.00 0.00 0.00 176.95 177.89 1j8s s ASN 42 N -0.40 -0.51 -0.20 5.86 2.20 -1.26 -0.69 114.94 119.94 1j8s s ASN 42 Ca 0.04 -0.07 -0.04 0.00 -0.94 0.00 0.00 52.86 51.84 1j8s s ASN 42 Cb -0.03 0.59 0.10 0.00 -2.00 0.00 0.00 41.25 39.91 1j8s s ASN 42 CO -0.06 -0.98 0.30 -1.58 -2.94 0.00 0.00 177.10 171.84 1j8s s GLN 43 N -3.77 0.24 0.00 3.55 0.74 -0.17 -5.00 119.66 115.26 1j8s s GLN 43 Ca 0.02 0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.98 1j8s s GLN 43 Cb -0.01 -0.49 -0.00 0.00 1.10 0.00 0.00 33.01 33.60 1j8s s GLN 43 CO -0.12 -0.51 -0.02 0.00 -0.55 0.00 0.00 175.29 174.10 1j8s n ASN 45 N 2.82 0.50 0.00 0.00 0.23 -1.13 -5.02 115.26 112.66 1j8s n ASN 45 Ca -0.14 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 1j8s n ASN 45 Cb 0.59 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1j8s n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j8s n GLY 46 N -0.19 5.59 3.78 4.83 0.00 -1.26 -4.76 105.19 113.18 1j8s n GLY 46 Ca 0.01 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1j8s n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8s s PRO 47 N 1.77 2.49 -0.09 1.61 0.04 -1.26 -4.99 135.00 134.57 1j8s s PRO 47 Ca 0.00 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 1j8s s PRO 47 Cb 0.00 -1.92 -0.27 0.00 0.04 0.00 0.00 34.50 32.35 1j8s s PRO 47 CO 0.00 -1.47 0.48 1.49 0.04 0.00 0.00 177.00 177.54 1j8s h GLU 48 N -0.81 0.27 -5.56 4.56 4.81 -1.95 -3.42 114.58 112.48 1j8s h GLU 48 Ca -0.44 -0.45 -0.47 0.00 -0.13 0.00 0.00 59.36 57.86 1j8s h GLU 48 Cb 1.23 0.17 -0.24 0.00 0.63 0.00 0.00 28.75 30.54 1j8s h GLU 48 CO 0.53 1.16 -0.80 -0.06 -0.73 0.00 0.00 179.01 179.11 1j8s s PHE 49 N -2.57 1.39 -0.23 0.92 0.40 -1.26 -0.01 117.98 116.62 1j8s s PHE 49 Ca -0.19 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.70 1j8s s PHE 49 Cb 0.06 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.77 1j8s s PHE 49 CO 0.80 0.07 0.01 0.00 0.70 0.00 0.00 175.22 176.80 1j8s s ALA 50 N -0.98 2.99 -2.14 5.36 0.00 0.54 -4.91 121.76 122.62 1j8s s ALA 50 Ca 0.02 -1.14 0.18 0.00 0.00 0.00 0.00 51.96 51.03 1j8s s ALA 50 Cb -0.09 -1.89 0.78 0.00 0.00 0.00 0.00 23.12 21.92 1j8s s ALA 50 CO 0.02 -0.43 1.54 -0.40 0.00 0.00 0.00 175.76 176.48 1j8s n ASP 51 N 4.81 1.04 0.00 0.00 5.68 -1.26 -0.69 116.55 126.13 1j8s n ASP 51 Ca -0.17 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1j8s n ASP 51 Cb 0.51 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1j8s n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j8s n GLY 52 N 0.97 3.19 0.13 6.12 0.00 -1.25 -4.81 105.19 109.54 1j8s n GLY 52 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1j8s n GLY 52 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1j8s h PHE 53 N 0.00 0.00 -3.54 1.61 0.05 -1.91 -3.45 116.94 109.70 1j8s h PHE 53 Ca 0.00 0.00 -0.61 0.00 3.82 0.00 0.00 57.97 61.18 1j8s h PHE 53 Cb 0.00 0.00 -0.20 0.00 2.00 0.00 0.00 35.95 37.75 1j8s h PHE 53 CO 0.00 0.00 -0.82 -1.58 -0.18 0.00 0.00 178.31 175.73 1j8s s TRP 54 N -3.16 2.07 0.27 -0.55 0.52 -1.26 -5.10 118.94 111.73 1j8s s TRP 54 Ca 0.08 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.72 1j8s s TRP 54 Cb 0.10 -1.07 -0.06 0.00 -1.15 0.00 0.00 33.47 31.28 1j8s s TRP 54 CO 0.65 0.36 0.57 0.00 0.02 0.00 0.00 176.95 178.55 1j8s s ALA 55 N -1.51 3.57 0.22 0.98 0.00 -1.26 -4.34 121.76 119.42 1j8s s ALA 55 Ca 0.15 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1j8s s ALA 55 Cb -0.08 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1j8s s ALA 55 CO 0.07 0.35 0.49 1.52 0.00 0.00 0.00 175.76 178.19 1j8s s TYR 56 N -1.98 0.14 -0.05 0.00 -0.85 -0.34 -4.92 117.35 109.36 1j8s s TYR 56 Ca 0.46 -0.51 0.05 0.00 -0.52 0.00 0.00 57.07 56.55 1j8s s TYR 56 Cb -0.11 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 1j8s s TYR 56 CO 0.26 -0.96 -0.19 0.71 -1.52 0.00 0.00 175.55 173.85 1j8s s TYR 57 N -3.95 2.58 -0.06 -3.49 1.51 0.14 -0.42 117.35 113.65 1j8s s TYR 57 Ca 0.16 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1j8s s TYR 57 Cb -0.01 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1j8s s TYR 57 CO 0.04 0.04 0.12 1.03 -1.11 0.00 0.00 175.55 175.66 1j8s s ARG 58 N -0.53 3.30 -0.15 -0.62 0.52 0.35 -1.15 118.95 120.68 1j8s s ARG 58 Ca 0.07 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1j8s s ARG 58 Cb -0.11 -3.05 0.06 0.00 0.52 0.00 0.00 34.95 32.37 1j8s s ARG 58 CO 0.01 0.71 0.12 -2.00 0.02 0.00 0.00 175.30 174.17 1j8s s GLU 59 N -1.40 0.06 -0.12 3.54 2.12 0.01 -2.64 118.70 120.27 1j8s s GLU 59 Ca 0.20 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1j8s s GLU 59 Cb -0.12 -1.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 1j8s s GLU 59 CO 0.10 -0.57 -0.15 0.71 -0.54 0.00 0.00 175.26 174.80 1j8s s TYR 60 N 2.20 2.76 -0.06 5.30 4.12 -0.04 -0.56 117.35 131.07 1j8s s TYR 60 Ca 0.04 -0.72 0.00 0.00 0.02 0.00 0.00 57.07 56.40 1j8s s TYR 60 Cb -0.15 -1.82 0.02 0.00 -1.52 0.00 0.00 41.96 38.50 1j8s s TYR 60 CO -0.08 -0.25 -0.03 0.42 0.02 0.00 0.00 175.55 175.62 1j8s s ILE 61 N 0.34 0.55 0.31 2.71 1.01 -0.46 -2.43 121.20 123.24 1j8s s ILE 61 Ca -0.13 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 1j8s s ILE 61 Cb -0.16 -0.62 -0.10 0.00 0.01 0.00 0.00 42.46 41.59 1j8s s ILE 61 CO 0.06 0.26 0.89 0.00 0.00 0.00 0.00 174.94 176.16 1j8s s ALA 62 N 1.37 3.25 0.07 9.38 0.00 0.42 -0.42 121.76 135.82 1j8s s ALA 62 Ca -0.04 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1j8s s ALA 62 Cb -0.13 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1j8s s ALA 62 CO -0.03 0.21 -0.15 -1.58 0.00 0.00 0.00 175.76 174.22 1j8s s TRP 63 N -1.62 1.25 -0.13 0.00 0.52 -0.11 -1.19 118.94 117.67 1j8s s TRP 63 Ca 0.49 -0.46 -0.05 0.00 0.02 0.00 0.00 56.10 56.10 1j8s s TRP 63 Cb -0.18 -0.70 0.06 0.00 -1.15 0.00 0.00 33.47 31.50 1j8s s TRP 63 CO 0.23 0.07 0.26 0.08 0.02 0.00 0.00 176.95 177.61 1j8s s VAL 64 N -1.29 -0.33 -0.25 4.03 1.01 0.04 -1.65 120.40 121.95 1j8s s VAL 64 Ca -0.01 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1j8s s VAL 64 Cb -0.10 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1j8s s VAL 64 CO 0.02 0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.45 1j8s s VAL 65 N 2.15 2.50 -0.06 2.92 1.01 -0.04 -0.54 120.40 128.35 1j8s s VAL 65 Ca -0.01 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.67 1j8s s VAL 65 Cb -0.12 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1j8s s VAL 65 CO -0.09 0.09 -0.18 0.12 0.00 0.00 0.00 175.10 175.04 1j8s s PHE 66 N 1.22 2.61 0.55 5.22 5.36 -0.81 -2.15 117.98 129.98 1j8s s PHE 66 Ca -0.04 -0.43 -0.20 0.00 -0.96 0.00 0.00 56.93 55.30 1j8s s PHE 66 Cb -0.18 -1.65 -0.05 0.00 -0.34 0.00 0.00 43.02 40.80 1j8s s PHE 66 CO -0.05 -0.02 1.20 -1.25 -1.46 0.00 0.00 175.22 173.64 1j8s s PRO 67 N -0.36 3.22 0.00 10.12 0.04 -1.26 0.73 135.00 147.48 1j8s s PRO 67 Ca 0.03 1.81 0.25 0.00 0.04 0.00 0.00 61.00 63.13 1j8s s PRO 67 Cb -0.12 -2.07 0.47 0.00 0.04 0.00 0.00 34.50 32.82 1j8s s PRO 67 CO 0.02 -1.00 1.38 1.63 0.04 0.00 0.00 177.00 179.07 1j8s n LYS 68 N -1.26 0.59 -3.61 4.56 5.02 0.41 -4.74 118.16 119.13 1j8s n LYS 68 Ca 0.12 -0.39 -0.16 0.00 -2.02 0.00 0.00 58.31 55.86 1j8s n LYS 68 Cb 0.49 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1j8s n LYS 68 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1j8s s LYS 69 N -2.68 0.88 0.00 1.97 2.20 -1.26 -0.86 119.74 119.99 1j8s s LYS 69 Ca 0.18 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1j8s s LYS 69 Cb 0.18 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1j8s s LYS 69 CO 0.61 -0.21 0.00 1.55 -0.36 0.00 0.00 175.35 176.94 1j8s n VAL 70 N 1.68 0.00 -4.27 4.02 3.14 -0.68 -4.96 118.33 117.26 1j8s n VAL 70 Ca -0.17 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.06 1j8s n VAL 70 Cb 0.56 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.24 1j8s n VAL 70 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1j8s s THR 72 N 1.06 1.14 0.27 1.55 -4.23 0.79 -0.97 115.64 115.25 1j8s s THR 72 Ca 0.00 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1j8s s THR 72 Cb 0.00 -1.99 0.26 0.00 1.34 0.00 0.00 72.50 72.11 1j8s s THR 72 CO 0.00 -0.62 1.85 -0.61 -0.54 0.00 0.00 174.62 174.70 1j8s h GLN 73 N 2.69 1.01 0.00 3.99 4.15 -1.90 -0.83 115.11 124.23 1j8s h GLN 73 Ca -0.37 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1j8s h GLN 73 Cb 1.20 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1j8s h GLN 73 CO 0.64 0.67 0.00 0.27 -1.93 0.00 0.00 178.83 178.48 1j8s n ASN 74 N -4.59 0.00 -0.08 -0.69 2.04 -1.26 -4.88 115.26 105.80 1j8s n ASN 74 Ca 0.16 -1.78 0.00 0.00 -0.44 0.00 0.00 54.58 52.52 1j8s n ASN 74 Cb 0.26 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.51 1j8s n ASN 74 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j8s n GLY 75 N 0.50 1.12 3.28 4.83 0.00 -0.32 -5.10 105.19 109.50 1j8s n GLY 75 Ca 0.03 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1j8s n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j8s s TYR 76 N -2.16 2.24 0.12 1.61 1.51 -1.25 -4.88 117.35 114.55 1j8s s TYR 76 Ca 0.00 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 1j8s s TYR 76 Cb 0.00 -1.45 -0.06 0.00 -0.11 0.00 0.00 41.96 40.34 1j8s s TYR 76 CO 0.00 -0.09 1.00 -1.25 -1.11 0.00 0.00 175.55 174.11 1j8s s PRO 77 N -0.45 4.67 -0.10 -1.71 0.04 -1.26 -0.15 135.00 136.03 1j8s s PRO 77 Ca 0.06 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1j8s s PRO 77 Cb -0.11 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1j8s s PRO 77 CO 0.00 0.17 -0.17 -0.51 0.04 0.00 0.00 177.00 176.53 1j8s s LEU 78 N -0.05 2.50 -0.20 -3.56 1.43 -0.14 -4.22 118.68 114.43 1j8s s LEU 78 Ca 0.48 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1j8s s LEU 78 Cb -0.25 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1j8s s LEU 78 CO 0.31 0.20 0.31 -0.36 0.23 0.00 0.00 176.35 177.04 1j8s s PHE 79 N 0.11 3.38 -0.24 0.29 0.40 -0.90 -1.68 117.98 119.34 1j8s s PHE 79 Ca -0.08 0.50 -0.09 0.00 -0.60 0.00 0.00 56.93 56.66 1j8s s PHE 79 Cb -0.15 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1j8s s PHE 79 CO 0.05 0.07 0.12 0.42 0.70 0.00 0.00 175.22 176.58 1j8s s ILE 80 N 1.06 4.90 0.15 0.64 1.01 -0.04 -0.54 121.20 128.37 1j8s s ILE 80 Ca 0.15 0.02 0.11 0.00 0.00 0.00 0.00 60.65 60.93 1j8s s ILE 80 Cb -0.14 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1j8s s ILE 80 CO 0.06 0.35 -0.26 -1.61 0.00 0.00 0.00 174.94 173.48 1j8s s GLU 81 N 1.23 1.43 -0.18 2.79 2.02 0.02 -4.70 118.70 121.31 1j8s s GLU 81 Ca 0.06 -1.40 -0.28 0.00 0.02 0.00 0.00 54.97 53.37 1j8s s GLU 81 Cb -0.14 -1.87 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 1j8s s GLU 81 CO 0.05 0.43 0.98 0.08 0.02 0.00 0.00 175.26 176.82 1j8s s VAL 82 N -1.26 4.76 -0.24 2.63 1.01 -1.26 -0.81 120.40 125.23 1j8s s VAL 82 Ca 0.16 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.97 1j8s s VAL 82 Cb -0.09 -4.27 -0.17 0.00 0.00 0.00 0.00 36.38 31.85 1j8s s VAL 82 CO 0.07 -0.08 -0.10 1.57 0.00 0.00 0.00 175.10 176.56 1j8s n HIS 83 N 5.69 0.40 -3.49 5.22 -0.00 0.68 -4.86 115.22 118.86 1j8s n HIS 83 Ca 0.09 0.14 -0.15 0.00 0.46 0.00 0.00 57.72 58.26 1j8s n HIS 83 Cb 0.47 -1.04 -0.12 0.00 -0.12 0.00 0.00 29.99 29.18 1j8s n HIS 83 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1j8s s ASN 84 N -7.08 0.84 0.00 0.26 3.84 -0.25 -4.99 114.94 107.56 1j8s s ASN 84 Ca -0.34 0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.04 1j8s s ASN 84 Cb 0.10 0.65 0.52 0.00 -0.55 0.00 0.00 41.25 41.98 1j8s s ASN 84 CO 0.57 -0.30 1.45 2.29 -2.79 0.00 0.00 177.10 178.33 1j8s n LYS 85 N 5.34 2.39 0.00 0.43 2.85 -1.26 -0.20 118.16 127.71 1j8s n LYS 85 Ca -0.05 -2.13 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 1j8s n LYS 85 Cb 0.50 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1j8s n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j8s n GLY 86 N 1.46 2.78 0.26 2.58 0.00 -1.26 -1.28 105.19 109.73 1j8s n GLY 86 Ca 0.20 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.18 1j8s n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j8s n SER 87 N 1.74 0.84 -4.76 1.61 3.41 -1.26 -4.93 113.62 110.27 1j8s n SER 87 Ca 0.00 -1.18 -0.39 0.00 -0.26 0.00 0.00 58.87 57.04 1j8s n SER 87 Cb 0.00 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1j8s n SER 87 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1j8s s TRP 88 N -2.08 2.36 -0.38 7.33 0.52 -0.41 -4.96 118.94 121.32 1j8s s TRP 88 Ca 0.40 1.33 -0.20 0.00 0.02 0.00 0.00 56.10 57.65 1j8s s TRP 88 Cb 0.21 -3.85 0.01 0.00 -1.15 0.00 0.00 33.47 28.69 1j8s s TRP 88 CO 0.37 -2.91 0.59 0.45 0.02 0.00 0.00 176.95 175.47 1j8s s SER 89 N -0.77 6.35 -0.35 2.95 0.15 -0.04 -4.91 113.70 117.08 1j8s s SER 89 Ca 0.67 -0.08 -0.22 0.00 0.70 0.00 0.00 55.95 57.02 1j8s s SER 89 Cb -0.42 -2.30 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1j8s s SER 89 CO 0.51 -0.61 0.74 -0.70 1.20 0.00 0.00 173.24 174.39 1j8s s GLU 90 N 2.61 3.77 0.44 5.44 2.12 -1.26 -1.29 118.70 130.53 1j8s s GLU 90 Ca 0.21 0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.86 1j8s s GLU 90 Cb -0.15 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 1j8s s GLU 90 CO 0.15 -0.79 0.05 -1.21 -0.54 0.00 0.00 175.26 172.93 1j8s s GLU 91 N 2.97 2.01 -1.58 4.30 2.02 0.06 -4.78 118.70 123.70 1j8s s GLU 91 Ca 0.29 -2.23 -0.12 0.00 0.02 0.00 0.00 54.97 52.94 1j8s s GLU 91 Cb -0.14 -1.17 0.10 0.00 0.10 0.00 0.00 34.13 33.02 1j8s s GLU 91 CO 0.16 -0.33 0.73 -1.71 0.02 0.00 0.00 175.26 174.12 1j8s n ASN 92 N -1.16 -2.76 0.32 -0.19 4.05 -1.26 -3.87 115.26 110.39 1j8s n ASN 92 Ca -0.11 -0.96 0.19 0.00 0.45 0.00 0.00 54.58 54.16 1j8s n ASN 92 Cb 0.66 -3.12 1.02 0.00 1.23 0.00 0.00 39.78 39.57 1j8s n ASN 92 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1j8s h THR 93 N -1.73 0.00 0.00 -0.44 1.35 -1.93 -1.90 112.91 108.26 1j8s h THR 93 Ca -0.60 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 1j8s h THR 93 Cb 1.38 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1j8s h THR 93 CO 0.71 0.00 -0.07 1.23 -0.25 0.00 0.00 175.52 177.14 1j8s h GLY 94 N 0.00 0.00 -4.16 5.82 0.00 -1.95 -3.44 103.07 99.34 1j8s h GLY 94 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1j8s h GLY 94 CO 0.00 0.00 0.80 1.34 0.00 0.00 0.00 176.54 178.68 1j8s n ASP 95 N -3.21 3.74 -0.21 0.19 2.03 -0.72 -4.91 116.55 113.46 1j8s n ASP 95 Ca 0.00 1.19 0.12 0.00 0.52 0.00 0.00 54.79 56.62 1j8s n ASP 95 Cb 0.33 -1.60 0.18 0.00 -0.72 0.00 0.00 41.12 39.31 1j8s n ASP 95 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1j8s n ASN 96 N 1.29 1.15 -0.03 1.67 5.03 -1.26 -4.51 115.26 118.61 1j8s n ASN 96 Ca 0.05 -0.92 -0.02 0.00 0.87 0.00 0.00 54.58 54.55 1j8s n ASN 96 Cb 0.37 0.38 -0.05 0.00 -1.02 0.00 0.00 39.78 39.47 1j8s n ASN 96 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1j8s n ASP 97 N -0.82 3.56 -4.05 6.41 8.00 -1.26 -4.87 116.55 123.51 1j8s n ASP 97 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.50 1j8s n ASP 97 Cb 0.37 0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 42.06 1j8s n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j8s s SER 98 N -3.64 0.50 0.18 -2.24 0.01 -1.26 -0.44 113.70 106.81 1j8s s SER 98 Ca -0.03 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 1j8s s SER 98 Cb 0.02 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.34 1j8s s SER 98 CO 0.24 -0.43 0.39 -0.31 0.41 0.00 0.00 173.24 173.54 1j8s s TYR 99 N -2.72 3.48 -0.20 2.43 1.51 0.22 -4.73 117.35 117.34 1j8s s TYR 99 Ca -0.03 0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1j8s s TYR 99 Cb -0.01 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1j8s s TYR 99 CO -0.05 0.39 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.68 1j8s s PHE 100 N -1.80 1.91 -0.13 2.71 0.40 -1.25 -1.92 117.98 117.90 1j8s s PHE 100 Ca 0.40 -1.35 -0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1j8s s PHE 100 Cb -0.11 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1j8s s PHE 100 CO 0.28 -0.69 -0.13 -0.06 0.70 0.00 0.00 175.22 175.32 1j8s s PHE 101 N 1.56 2.82 0.12 0.36 0.40 0.30 -0.76 117.98 122.79 1j8s s PHE 101 Ca -0.02 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1j8s s PHE 101 Cb -0.17 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1j8s s PHE 101 CO -0.07 -0.18 -0.09 -0.51 0.70 0.00 0.00 175.22 175.07 1j8s s LEU 102 N 0.30 2.52 -0.28 -0.37 1.02 -0.41 -0.78 118.68 120.68 1j8s s LEU 102 Ca -0.10 -1.00 0.01 0.00 0.02 0.00 0.00 54.13 53.06 1j8s s LEU 102 Cb -0.16 -0.23 0.17 0.00 0.02 0.00 0.00 46.19 45.99 1j8s s LEU 102 CO 0.05 -0.38 0.48 -0.75 0.02 0.00 0.00 176.35 175.78 1j8s s LYS 103 N -3.73 0.47 -0.17 1.70 2.47 -0.33 -0.86 119.74 119.27 1j8s s LYS 103 Ca 0.14 0.52 -0.20 0.00 -1.56 0.00 0.00 55.97 54.87 1j8s s LYS 103 Cb 0.03 -0.03 -0.03 0.00 -1.46 0.00 0.00 37.83 36.34 1j8s s LYS 103 CO -0.02 -0.85 0.59 0.20 0.16 0.00 0.00 175.35 175.43 1j8s s GLY 104 N 2.68 2.16 0.00 5.54 0.00 -1.26 -0.44 107.32 116.00 1j8s s GLY 104 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1j8s s GLY 104 CO -0.24 1.16 0.57 1.58 0.00 0.00 0.00 173.10 176.17 1j8s n TYR 105 N 4.66 0.00 -3.68 1.90 0.18 -1.02 -5.01 117.16 114.19 1j8s n TYR 105 Ca -0.03 -0.13 -0.11 0.00 1.88 0.00 0.00 57.90 59.51 1j8s n TYR 105 Cb 0.50 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.36 1j8s n TYR 105 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1j8s s LYS 106 N -0.27 0.53 0.10 -3.48 2.20 -1.22 -4.99 119.74 112.62 1j8s s LYS 106 Ca 0.00 0.87 -0.25 0.00 -0.36 0.00 0.00 55.97 56.24 1j8s s LYS 106 Cb 0.00 0.11 0.07 0.00 -1.51 0.00 0.00 37.83 36.50 1j8s s LYS 106 CO 0.00 -0.13 0.61 1.67 -0.36 0.00 0.00 175.35 177.14 1j8s s TRP 107 N 1.11 -0.55 -1.71 4.03 -2.14 -1.24 -0.86 118.94 117.57 1j8s s TRP 107 Ca -0.07 0.53 0.00 0.00 2.66 0.00 0.00 56.10 59.22 1j8s s TRP 107 Cb -0.06 0.50 0.00 0.00 -3.10 0.00 0.00 33.47 30.81 1j8s s TRP 107 CO -0.10 -0.77 0.00 -0.25 -2.66 0.00 0.00 176.95 173.16 1j8s n ASP 108 N -0.00 -4.31 -4.53 -2.66 10.43 -1.08 -4.91 116.55 109.48 1j8s n ASP 108 Ca -0.18 0.39 -0.43 0.00 2.57 0.00 0.00 54.79 57.14 1j8s n ASP 108 Cb 0.63 -3.90 -0.05 0.00 1.84 0.00 0.00 41.12 39.64 1j8s n ASP 108 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1j8s s GLU 109 N -3.47 3.38 0.33 -1.24 2.12 -1.12 -4.85 118.70 113.84 1j8s s GLU 109 Ca 0.00 -0.17 -0.28 0.00 0.36 0.00 0.00 54.97 54.88 1j8s s GLU 109 Cb 0.00 -3.98 -0.09 0.00 0.26 0.00 0.00 34.13 30.31 1j8s s GLU 109 CO 0.00 -1.25 1.17 0.50 -0.54 0.00 0.00 175.26 175.14 1j8s s ARG 110 N 3.51 4.39 -0.02 4.30 3.52 -1.26 -0.50 118.95 132.89 1j8s s ARG 110 Ca 0.30 1.92 -0.22 0.00 -0.13 0.00 0.00 55.73 57.60 1j8s s ARG 110 Cb -0.12 -3.00 0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1j8s s ARG 110 CO 0.21 -0.05 0.47 0.00 -0.81 0.00 0.00 175.30 175.13 1j8s s ALA 111 N -1.24 -1.22 -0.77 6.12 0.00 0.44 -4.93 121.76 120.15 1j8s s ALA 111 Ca 0.49 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.26 1j8s s ALA 111 Cb -0.33 0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1j8s s ALA 111 CO 0.43 -0.33 0.61 1.19 0.00 0.00 0.00 175.76 177.66 1j8s n PHE 112 N 1.05 0.00 -1.66 0.00 3.01 -1.26 -1.20 117.46 117.39 1j8s n PHE 112 Ca -0.20 0.00 -0.57 0.00 1.01 0.00 0.00 57.45 57.69 1j8s n PHE 112 Cb 0.57 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.97 1j8s n PHE 112 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1j8s n ASP 113 N -0.05 1.90 -4.76 4.37 9.92 -1.26 -3.95 116.55 122.71 1j8s n ASP 113 Ca 0.04 1.10 -0.38 0.00 -0.53 0.00 0.00 54.79 55.02 1j8s n ASP 113 Cb 0.17 -1.12 0.01 0.00 -0.64 0.00 0.00 41.12 39.54 1j8s n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j8s s ALA 114 N 2.33 3.00 0.00 2.24 0.00 -1.26 -4.70 121.76 123.37 1j8s s ALA 114 Ca 0.94 1.14 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1j8s s ALA 114 Cb -1.09 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1j8s s ALA 114 CO 0.61 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1j8s n GLY 115 N 0.59 1.51 3.61 0.00 0.00 0.14 -4.94 105.19 106.09 1j8s n GLY 115 Ca 0.07 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1j8s n GLY 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j8s s ASN 116 N 0.00 6.69 -0.10 1.61 3.84 -1.26 -0.34 114.94 125.38 1j8s s ASN 116 Ca 0.00 0.60 0.12 0.00 0.21 0.00 0.00 52.86 53.79 1j8s s ASN 116 Cb 0.00 -2.46 0.52 0.00 -0.55 0.00 0.00 41.25 38.76 1j8s s ASN 116 CO 0.00 -0.84 1.37 0.18 -2.79 0.00 0.00 177.10 175.02 1j8s n LEU 117 N 6.73 3.67 -2.71 3.21 4.77 0.99 -4.42 117.00 129.25 1j8s n LEU 117 Ca 0.07 -1.85 -0.07 0.00 -0.03 0.00 0.00 56.01 54.13 1j8s n LEU 117 Cb 0.48 -0.52 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1j8s n LEU 117 CO 0.58 0.58 0.46 0.00 -1.33 0.00 0.00 177.39 177.67 1j8s s GLN 119 N 0.25 3.82 0.52 0.00 -0.21 -1.26 -4.99 119.66 117.79 1j8s s GLN 119 Ca 0.23 2.30 -0.11 0.00 0.02 0.00 0.00 55.36 57.80 1j8s s GLN 119 Cb 0.28 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1j8s s GLN 119 CO -0.12 -0.67 0.91 0.15 -2.12 0.00 0.00 175.29 173.44 1j8s s LYS 120 N -2.35 3.70 0.12 2.91 1.02 -1.26 -4.90 119.74 118.98 1j8s s LYS 120 Ca 0.59 0.61 -0.35 0.00 0.02 0.00 0.00 55.97 56.84 1j8s s LYS 120 Cb -0.41 -2.22 -0.16 0.00 -0.52 0.00 0.00 37.83 34.52 1j8s s LYS 120 CO 0.53 -0.32 1.31 -2.30 -0.92 0.00 0.00 175.35 173.65 1j8s n PRO 121 N -2.10 1.27 0.00 -1.68 -0.02 -1.26 -1.34 135.00 129.86 1j8s n PRO 121 Ca 0.04 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1j8s n PRO 121 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1j8s n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j8s n GLY 122 N 2.44 2.88 3.83 -1.23 0.00 0.02 -4.96 105.19 108.18 1j8s n GLY 122 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1j8s n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j8s s GLU 123 N -0.76 3.31 0.36 1.61 0.41 -0.45 -4.73 118.70 118.45 1j8s s GLU 123 Ca 0.00 0.94 0.04 0.00 -0.41 0.00 0.00 54.97 55.54 1j8s s GLU 123 Cb 0.00 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.25 1j8s s GLU 123 CO 0.00 -0.80 0.05 0.96 -0.49 0.00 0.00 175.26 174.98 1j8s s ILE 124 N -2.93 1.33 -0.13 -1.63 -4.36 -1.26 -0.55 121.20 111.66 1j8s s ILE 124 Ca 0.58 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.66 1j8s s ILE 124 Cb -0.13 -2.77 0.13 0.00 1.25 0.00 0.00 42.46 40.94 1j8s s ILE 124 CO 0.49 0.00 1.06 0.28 0.24 0.00 0.00 174.94 177.01 1j8s s THR 125 N -3.13 0.00 -0.10 8.37 -1.32 -0.84 -4.99 115.64 113.63 1j8s s THR 125 Ca 0.34 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.63 1j8s s THR 125 Cb 0.08 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1j8s s THR 125 CO 0.15 0.00 0.49 -0.60 -2.21 0.00 0.00 174.62 172.45 1j8s s ARG 126 N -2.12 4.32 -0.15 7.08 3.52 -1.26 -0.72 118.95 129.61 1j8s s ARG 126 Ca 0.05 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1j8s s ARG 126 Cb -0.01 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1j8s s ARG 126 CO -0.04 0.20 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.07 1j8s s LEU 127 N 0.48 3.06 0.00 -0.88 1.43 0.05 -4.96 118.68 117.85 1j8s s LEU 127 Ca 0.26 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1j8s s LEU 127 Cb -0.15 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1j8s s LEU 127 CO 0.11 0.16 0.37 0.35 0.23 0.00 0.00 176.35 177.57 1j8s n THR 128 N 3.59 0.00 -1.72 5.49 -2.24 -1.26 -1.06 114.28 117.08 1j8s n THR 128 Ca -0.18 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.76 1j8s n THR 128 Cb 0.52 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.84 1j8s n THR 128 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j8s s GLU 129 N -0.52 2.53 0.03 -0.78 8.01 -1.26 -4.79 118.70 121.93 1j8s s GLU 129 Ca 0.01 1.93 0.08 0.00 0.01 0.00 0.00 54.97 57.01 1j8s s GLU 129 Cb 0.01 -1.86 -0.03 0.00 -4.31 0.00 0.00 34.13 27.94 1j8s s GLU 129 CO 0.04 -1.58 -0.24 0.21 0.01 0.00 0.00 175.26 173.70 1j8s s LYS 130 N -3.51 1.92 0.12 1.61 2.47 -1.26 -4.37 119.74 116.73 1j8s s LYS 130 Ca 0.79 -1.05 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 1j8s s LYS 130 Cb -0.34 -2.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.94 1j8s s LYS 130 CO 0.40 0.53 -0.09 -0.06 0.16 0.00 0.00 175.35 176.29 1j8s s PHE 131 N -0.81 1.09 0.80 4.03 0.40 -1.26 -5.12 117.98 117.10 1j8s s PHE 131 Ca 0.12 -0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 55.51 1j8s s PHE 131 Cb -0.10 -0.58 -0.00 0.00 0.51 0.00 0.00 43.02 42.84 1j8s s PHE 131 CO 0.02 -0.02 0.58 -3.47 0.70 0.00 0.00 175.22 173.04 1j8s n ASP 132 N 0.01 -1.15 -4.84 1.36 -0.08 -1.26 -4.24 116.55 106.34 1j8s n ASP 132 Ca -0.12 0.52 -0.30 0.00 -1.51 0.00 0.00 54.79 53.38 1j8s n ASP 132 Cb 0.60 -1.25 0.08 0.00 2.34 0.00 0.00 41.12 42.89 1j8s n ASP 132 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1j8s s ASP 133 N -1.71 4.65 -0.06 1.67 1.01 -1.26 -4.51 116.67 116.45 1j8s s ASP 133 Ca 0.64 1.11 -0.01 0.00 0.71 0.00 0.00 52.55 55.00 1j8s s ASP 133 Cb -0.30 -1.80 0.03 0.00 1.01 0.00 0.00 42.92 41.86 1j8s s ASP 133 CO 0.60 -1.85 -0.01 -0.63 0.21 0.00 0.00 175.17 173.49 1j8s s ILE 134 N -3.31 0.41 -0.16 0.77 1.01 -0.23 -4.32 121.20 115.38 1j8s s ILE 134 Ca 0.61 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 1j8s s ILE 134 Cb -0.13 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1j8s s ILE 134 CO 0.52 0.25 0.00 -0.63 0.00 0.00 0.00 174.94 175.08 1j8s s ILE 135 N 1.67 4.27 0.38 2.92 1.01 0.72 -0.60 121.20 131.56 1j8s s ILE 135 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.51 1j8s s ILE 135 Cb -0.13 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1j8s s ILE 135 CO -0.04 0.49 0.10 -0.36 0.00 0.00 0.00 174.94 175.14 1j8s s PHE 136 N 0.23 2.59 0.02 3.97 0.40 -0.78 -0.23 117.98 124.19 1j8s s PHE 136 Ca 0.00 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1j8s s PHE 136 Cb -0.13 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 1j8s s PHE 136 CO 0.02 0.33 -0.07 -1.59 0.70 0.00 0.00 175.22 174.61 1j8s s LYS 137 N -3.81 0.51 -0.06 0.44 -2.85 0.01 -1.51 119.74 112.47 1j8s s LYS 137 Ca 0.38 -0.50 0.03 0.00 -1.00 0.00 0.00 55.97 54.88 1j8s s LYS 137 Cb 0.02 -0.39 -0.02 0.00 -2.06 0.00 0.00 37.83 35.38 1j8s s LYS 137 CO 0.21 0.09 -0.15 0.08 0.10 0.00 0.00 175.35 175.69 1j8s s VAL 138 N -0.77 3.02 -0.23 1.79 1.01 0.26 -0.80 120.40 124.68 1j8s s VAL 138 Ca -0.04 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1j8s s VAL 138 Cb -0.06 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1j8s s VAL 138 CO 0.00 0.58 0.13 0.00 0.00 0.00 0.00 175.10 175.82 1j8s s ALA 139 N -0.62 3.53 -0.11 5.51 0.00 0.30 -3.48 121.76 126.88 1j8s s ALA 139 Ca 0.09 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 1j8s s ALA 139 Cb -0.11 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 1j8s s ALA 139 CO 0.01 -0.14 0.22 -0.51 0.00 0.00 0.00 175.76 175.33 1j8s s LEU 140 N 0.96 4.36 0.23 0.00 1.43 -1.26 -2.11 118.68 122.29 1j8s s LEU 140 Ca 0.07 0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 1j8s s LEU 140 Cb -0.13 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 1j8s s LEU 140 CO 0.03 0.31 1.31 -2.16 0.23 0.00 0.00 176.35 176.07 1j8s s PRO 141 N -0.58 4.39 0.57 1.29 0.04 -1.26 -4.87 135.00 134.58 1j8s s PRO 141 Ca 0.16 2.09 0.30 0.00 0.04 0.00 0.00 61.00 63.58 1j8s s PRO 141 Cb -0.13 -3.17 1.45 0.00 0.04 0.00 0.00 34.50 32.69 1j8s s PRO 141 CO 0.05 -0.23 1.85 0.00 0.04 0.00 0.00 177.00 178.71 1j8s h ALA 142 N 4.94 2.47 -0.24 8.56 0.00 -1.97 0.57 119.26 133.59 1j8s h ALA 142 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j8s h ALA 142 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j8s h ALA 142 CO 0.75 -0.93 0.00 -0.40 0.00 0.00 0.00 179.25 178.66 1j8s n ASP 143 N -3.87 1.67 -4.68 0.00 5.75 -1.26 -4.92 116.55 109.25 1j8s n ASP 143 Ca 0.13 -1.83 -0.42 0.00 -0.01 0.00 0.00 54.79 52.66 1j8s n ASP 143 Cb 0.84 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.74 1j8s n ASP 143 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1j8s s LEU 144 N -1.31 4.40 0.68 -2.12 2.96 0.19 -4.94 118.68 118.54 1j8s s LEU 144 Ca 0.28 2.62 -0.17 0.00 -0.22 0.00 0.00 54.13 56.64 1j8s s LEU 144 Cb 0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 1j8s s LEU 144 CO 0.21 -0.99 1.05 -2.65 -1.32 0.00 0.00 176.35 172.65 1j8s n PRO 145 N 6.40 0.73 -1.63 0.98 -0.02 -1.26 -4.94 135.00 135.27 1j8s n PRO 145 Ca 0.18 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 1j8s n PRO 145 Cb 0.40 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1j8s n PRO 145 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j8s s LEU 146 N -3.21 3.20 0.00 2.45 2.01 -1.26 -4.80 118.68 117.07 1j8s s LEU 146 Ca 0.76 1.71 0.00 0.00 0.01 0.00 0.00 54.13 56.62 1j8s s LEU 146 Cb -0.37 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.32 1j8s s LEU 146 CO 0.47 -1.49 0.00 0.61 1.01 0.00 0.00 176.35 176.94 1j8s n GLY 147 N -1.58 0.85 3.79 -3.19 0.00 -0.38 -4.92 105.19 99.77 1j8s n GLY 147 Ca 0.08 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1j8s n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j8s s ASP 148 N -0.70 7.23 0.04 1.61 1.11 -1.26 -0.23 116.67 124.47 1j8s s ASP 148 Ca 0.00 1.60 0.05 0.00 0.18 0.00 0.00 52.55 54.38 1j8s s ASP 148 Cb 0.00 -2.49 -0.02 0.00 1.07 0.00 0.00 42.92 41.48 1j8s s ASP 148 CO 0.00 0.05 -0.14 -0.31 1.18 0.00 0.00 175.17 175.95 1j8s s TYR 149 N -1.46 1.18 -0.34 4.23 1.51 0.14 -4.95 117.35 117.66 1j8s s TYR 149 Ca 0.43 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1j8s s TYR 149 Cb -0.19 -0.70 0.13 0.00 -0.11 0.00 0.00 41.96 41.10 1j8s s TYR 149 CO 0.23 0.03 0.20 0.45 -1.11 0.00 0.00 175.55 175.35 1j8s s SER 150 N -1.19 3.05 -0.20 2.29 0.15 -1.25 -1.69 113.70 114.87 1j8s s SER 150 Ca 0.01 -2.05 -0.17 0.00 0.70 0.00 0.00 55.95 54.43 1j8s s SER 150 Cb -0.08 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 1j8s s SER 150 CO 0.01 -0.33 0.46 -0.69 1.20 0.00 0.00 173.24 173.89 1j8s s VAL 151 N 1.22 5.15 -0.40 4.45 1.01 0.73 -4.86 120.40 127.71 1j8s s VAL 151 Ca 0.17 0.83 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 1j8s s VAL 151 Cb -0.22 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1j8s s VAL 151 CO -0.05 0.22 0.96 -0.54 0.00 0.00 0.00 175.10 175.70 1j8s s LYS 152 N 1.43 3.77 -0.54 2.72 1.02 -1.26 -0.70 119.74 126.18 1j8s s LYS 152 Ca 0.22 0.51 -0.05 0.00 0.02 0.00 0.00 55.97 56.66 1j8s s LYS 152 Cb -0.15 -3.84 0.14 0.00 -0.52 0.00 0.00 37.83 33.46 1j8s s LYS 152 CO 0.09 -1.07 0.37 0.42 -0.92 0.00 0.00 175.35 174.24 1j8s s ILE 153 N 3.68 3.82 0.33 2.17 1.01 -1.26 -5.02 121.20 125.93 1j8s s ILE 153 Ca 0.40 -2.39 -0.26 0.00 0.00 0.00 0.00 60.65 58.39 1j8s s ILE 153 Cb -0.11 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 1j8s s ILE 153 CO 0.22 -0.81 0.99 -2.16 0.00 0.00 0.00 174.94 173.18 1j8s s PRO 154 N 0.63 4.51 0.21 2.79 0.04 -1.26 -4.31 135.00 137.62 1j8s s PRO 154 Ca 0.12 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 1j8s s PRO 154 Cb -0.22 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.54 1j8s s PRO 154 CO -0.03 0.19 0.58 1.52 0.04 0.00 0.00 177.00 179.30 1j8s s TYR 155 N -1.54 -0.17 -0.11 0.56 -0.85 -0.69 -4.56 117.35 109.99 1j8s s TYR 155 Ca 0.51 -0.18 -0.04 0.00 -0.52 0.00 0.00 57.07 56.84 1j8s s TYR 155 Cb -0.21 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1j8s s TYR 155 CO 0.27 -0.99 0.04 0.99 -1.52 0.00 0.00 175.55 174.34 1j8s s THR 156 N -3.87 4.62 -0.02 -3.49 2.01 -0.91 -0.55 115.64 113.42 1j8s s THR 156 Ca 0.09 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1j8s s THR 156 Cb -0.02 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1j8s s THR 156 CO -0.01 0.59 0.23 -0.94 -0.69 0.00 0.00 174.62 173.80 1j8s s SER 157 N -0.75 -0.11 0.00 3.53 1.04 -1.26 -0.86 113.70 115.29 1j8s s SER 157 Ca 0.12 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1j8s s SER 157 Cb -0.12 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1j8s s SER 157 CO 0.02 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1j8s n GLY 158 N 1.55 -0.35 3.01 7.32 0.00 -0.66 -0.92 105.19 115.14 1j8s n GLY 158 Ca -0.21 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1j8s n GLY 158 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j8s s GLN 160 N 0.00 0.44 -0.26 1.61 0.74 0.43 -0.93 119.66 121.70 1j8s s GLN 160 Ca 0.00 0.70 -0.09 0.00 0.05 0.00 0.00 55.36 56.02 1j8s s GLN 160 Cb 0.00 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 1j8s s GLN 160 CO 0.00 -0.66 0.11 1.03 -0.55 0.00 0.00 175.29 175.22 1j8s s ARG 161 N 2.67 3.76 -0.25 1.67 0.52 0.48 -1.35 118.95 126.45 1j8s s ARG 161 Ca 0.16 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1j8s s ARG 161 Cb -0.15 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.90 1j8s s ARG 161 CO -0.19 -0.18 -0.03 -1.58 0.02 0.00 0.00 175.30 173.35 1j8s s HIS 162 N 1.64 3.04 -0.12 -0.53 5.65 0.28 -0.63 115.29 124.62 1j8s s HIS 162 Ca 0.07 -1.23 -0.02 0.00 0.25 0.00 0.00 55.06 54.12 1j8s s HIS 162 Cb -0.15 -2.11 -0.03 0.00 -1.18 0.00 0.00 32.58 29.10 1j8s s HIS 162 CO 0.06 -0.64 -0.03 -0.06 -0.65 0.00 0.00 174.74 173.42 1j8s s PHE 163 N 1.41 3.05 0.10 3.88 0.40 0.21 -0.81 117.98 126.22 1j8s s PHE 163 Ca 0.03 -0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1j8s s PHE 163 Cb -0.16 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1j8s s PHE 163 CO -0.03 0.18 0.06 0.00 0.70 0.00 0.00 175.22 176.14 1j8s s ALA 164 N -0.22 0.50 -2.52 5.36 0.00 -0.30 0.34 121.76 124.93 1j8s s ALA 164 Ca 0.04 -1.21 0.25 0.00 0.00 0.00 0.00 51.96 51.05 1j8s s ALA 164 Cb -0.13 0.58 0.82 0.00 0.00 0.00 0.00 23.12 24.40 1j8s s ALA 164 CO 0.02 -0.46 1.61 -1.13 0.00 0.00 0.00 175.76 175.80 1j8s n SER 165 N -0.02 1.87 -4.00 0.00 3.41 -1.11 0.25 113.62 114.03 1j8s n SER 165 Ca -0.10 -1.65 -0.09 0.00 -0.26 0.00 0.00 58.87 56.77 1j8s n SER 165 Cb 0.62 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1j8s n SER 165 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1j8s s TYR 166 N -1.92 0.32 0.35 7.33 -0.85 -1.26 -4.90 117.35 116.42 1j8s s TYR 166 Ca 0.35 -0.67 -0.27 0.00 -0.52 0.00 0.00 57.07 55.97 1j8s s TYR 166 Cb 0.20 -0.23 -0.09 0.00 0.38 0.00 0.00 41.96 42.22 1j8s s TYR 166 CO 0.31 -0.29 1.14 -1.17 -1.52 0.00 0.00 175.55 174.02 1j8s s LEU 167 N -2.03 4.32 0.00 -3.49 2.96 -1.26 -3.33 118.68 115.85 1j8s s LEU 167 Ca -0.07 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 1j8s s LEU 167 Cb -0.03 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.77 1j8s s LEU 167 CO -0.04 -0.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 1j8s n GLY 168 N 0.77 0.75 3.74 7.98 0.00 -1.26 -5.03 105.19 112.14 1j8s n GLY 168 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1j8s n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j8s s ALA 169 N -2.37 3.75 -0.01 4.61 0.00 -1.21 -5.01 121.76 121.51 1j8s s ALA 169 Ca 0.00 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1j8s s ALA 169 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1j8s s ALA 169 CO 0.00 -0.85 0.03 1.03 0.00 0.00 0.00 175.76 175.97 1j8s s ARG 170 N 0.18 0.02 -0.15 0.00 1.81 -1.26 -4.66 118.95 114.89 1j8s s ARG 170 Ca 0.65 0.07 -0.26 0.00 -1.72 0.00 0.00 55.73 54.48 1j8s s ARG 170 Cb -0.45 -0.03 0.06 0.00 -0.45 0.00 0.00 34.95 34.08 1j8s s ARG 170 CO 0.40 -0.04 0.64 0.12 -0.68 0.00 0.00 175.30 175.75 1j8s s PHE 171 N 0.23 -0.66 -0.05 -0.53 5.36 -1.26 -5.15 117.98 115.92 1j8s s PHE 171 Ca -0.02 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.35 1j8s s PHE 171 Cb -0.03 0.30 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 1j8s s PHE 171 CO -0.01 -0.46 0.01 0.15 -1.46 0.00 0.00 175.22 173.46 1j8s s LYS 172 N -0.39 0.33 0.24 10.12 1.02 -1.26 -5.04 119.74 124.77 1j8s s LYS 172 Ca -0.05 0.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.78 1j8s s LYS 172 Cb -0.03 -0.67 -0.13 0.00 -0.52 0.00 0.00 37.83 36.48 1j8s s LYS 172 CO 0.05 -0.24 1.45 -0.89 -0.92 0.00 0.00 175.35 174.80 1j8s n ILE 173 N 4.76 0.91 -1.91 2.17 5.41 -1.26 -4.87 119.36 124.57 1j8s n ILE 173 Ca -0.14 -0.23 -0.40 0.00 1.00 0.00 0.00 62.75 62.98 1j8s n ILE 173 Cb 0.50 -1.57 -0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1j8s n ILE 173 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1j8s s PRO 174 N -0.35 4.03 0.30 0.38 0.02 -1.26 -4.81 135.00 133.32 1j8s s PRO 174 Ca 0.68 2.38 0.01 0.00 0.02 0.00 0.00 61.00 64.10 1j8s s PRO 174 Cb -0.62 -2.87 0.55 0.00 0.02 0.00 0.00 34.50 31.58 1j8s s PRO 174 CO 0.49 -0.53 1.89 1.88 -0.33 0.00 0.00 177.00 180.40 1j8s h TYR 175 N 2.85 1.06 0.00 6.54 -1.99 -1.98 0.69 116.97 124.13 1j8s h TYR 175 Ca -0.50 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.22 1j8s h TYR 175 Cb 1.24 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1j8s h TYR 175 CO 0.53 0.51 -0.18 -2.95 -0.00 0.00 0.00 178.16 176.07 1j8s h ASN 176 N 1.00 0.00 0.08 3.88 7.08 -2.00 0.73 115.58 126.35 1j8s h ASN 176 Ca 0.43 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.50 1j8s h ASN 176 Cb 0.32 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.57 1j8s h ASN 176 CO -0.18 0.18 -0.68 0.58 -2.08 0.00 0.00 177.43 175.24 1j8s h VAL 177 N 0.00 1.49 -0.46 6.14 2.07 -1.49 -3.32 116.25 120.68 1j8s h VAL 177 Ca -0.00 -2.43 0.08 0.00 0.82 0.00 0.00 66.70 65.16 1j8s h VAL 177 Cb 0.37 3.12 -0.06 0.00 -1.52 0.00 0.00 31.29 33.20 1j8s h VAL 177 CO 0.02 0.65 0.09 0.00 0.02 0.00 0.00 177.57 178.35 1j8s h ALA 178 N -0.01 0.51 -0.03 1.67 0.00 -0.49 -1.09 119.26 119.82 1j8s h ALA 178 Ca -0.14 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1j8s h ALA 178 Cb 1.43 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1j8s h ALA 178 CO 0.06 -0.32 0.03 1.57 0.00 0.00 0.00 179.25 180.60 1j8s h LYS 179 N 0.22 0.00 0.00 0.00 2.10 -1.01 -1.20 116.57 116.68 1j8s h LYS 179 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1j8s h LYS 179 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1j8s h LYS 179 CO -0.31 0.00 -0.43 2.41 -2.00 0.00 0.00 179.45 179.12 1j8s n THR 180 N -3.93 0.19 -1.67 0.07 -1.04 -0.44 -4.93 114.28 102.52 1j8s n THR 180 Ca -0.02 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.47 1j8s n THR 180 Cb 0.12 -0.08 0.05 0.00 -1.82 0.00 0.00 70.33 68.59 1j8s n THR 180 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1j8s n LEU 181 N -1.80 4.56 -4.68 -4.42 4.77 -0.46 -4.88 117.00 110.09 1j8s n LEU 181 Ca 0.05 0.89 -0.44 0.00 -0.03 0.00 0.00 56.01 56.47 1j8s n LEU 181 Cb 0.38 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.98 1j8s n LEU 181 CO 0.34 -1.27 0.99 -2.65 -1.33 0.00 0.00 177.39 173.47 1j8s n PRO 182 N -1.05 2.08 -3.37 3.23 -0.02 -1.26 -4.89 135.00 129.72 1j8s n PRO 182 Ca 0.13 0.74 -0.45 0.00 -2.02 0.00 0.00 63.50 61.89 1j8s n PRO 182 Cb 0.46 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1j8s n PRO 182 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1j8s s ARG 183 N -0.76 3.79 0.02 -0.52 0.52 -1.26 -4.56 118.95 116.17 1j8s s ARG 183 Ca 0.65 -2.84 0.27 0.00 -0.52 0.00 0.00 55.73 53.29 1j8s s ARG 183 Cb -0.62 -4.42 0.92 0.00 0.52 0.00 0.00 34.95 31.34 1j8s s ARG 183 CO 0.53 -1.26 1.71 0.39 0.02 0.00 0.00 175.30 176.69 1j8s n GLU 184 N 3.31 0.03 -2.81 3.54 1.02 -1.13 -4.22 120.64 120.37 1j8s n GLU 184 Ca 0.18 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 57.06 1j8s n GLU 184 Cb 0.43 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 1j8s n GLU 184 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1j8s s ASN 185 N -3.13 6.33 0.14 1.62 0.01 0.29 -4.17 114.94 116.02 1j8s s ASN 185 Ca 0.12 0.89 0.00 0.00 -0.71 0.00 0.00 52.86 53.17 1j8s s ASN 185 Cb 0.18 -2.23 -0.00 0.00 0.41 0.00 0.00 41.25 39.61 1j8s s ASN 185 CO 0.60 -0.48 0.18 1.21 -1.51 0.00 0.00 177.10 177.10 1j8s n GLU 186 N -1.93 0.26 -3.15 -0.60 2.13 -0.98 -1.70 120.64 114.67 1j8s n GLU 186 Ca 0.00 -1.24 0.05 0.00 0.66 0.00 0.00 57.16 56.63 1j8s n GLU 186 Cb 0.55 1.13 -0.00 0.00 0.27 0.00 0.00 31.44 33.39 1j8s n GLU 186 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1j8s s LEU 188 N 0.00 -1.10 -0.29 4.31 2.96 0.18 -0.93 118.68 123.80 1j8s s LEU 188 Ca 0.14 0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 54.06 1j8s s LEU 188 Cb -0.00 1.75 0.00 0.00 0.50 0.00 0.00 46.19 48.45 1j8s s LEU 188 CO 0.10 -0.20 0.85 0.12 -1.32 0.00 0.00 176.35 175.89 1j8s s PHE 189 N 2.89 3.22 -0.11 5.38 5.36 0.13 -1.22 117.98 133.62 1j8s s PHE 189 Ca 0.16 0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 57.04 1j8s s PHE 189 Cb -0.08 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.30 1j8s s PHE 189 CO -0.23 -0.56 0.02 -0.51 -1.46 0.00 0.00 175.22 172.48 1j8s s LEU 190 N 3.04 3.65 -0.14 6.12 1.43 0.21 -0.19 118.68 132.80 1j8s s LEU 190 Ca 0.35 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.27 1j8s s LEU 190 Cb -0.14 -1.86 0.13 0.00 0.03 0.00 0.00 46.19 44.35 1j8s s LEU 190 CO 0.12 0.33 1.07 0.72 0.23 0.00 0.00 176.35 178.81 1j8s s PHE 191 N -0.58 -0.26 -0.21 0.29 -0.12 -0.68 0.14 117.98 116.56 1j8s s PHE 191 Ca 0.10 0.29 -0.03 0.00 -0.05 0.00 0.00 56.93 57.25 1j8s s PHE 191 Cb -0.12 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1j8s s PHE 191 CO 0.02 -0.32 -0.08 0.21 -0.05 0.00 0.00 175.22 174.99 1j8s s LYS 192 N -2.04 3.27 -0.42 1.99 2.20 0.63 0.28 119.74 125.65 1j8s s LYS 192 Ca 0.04 -0.68 -0.25 0.00 -0.36 0.00 0.00 55.97 54.72 1j8s s LYS 192 Cb -0.01 -2.90 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1j8s s LYS 192 CO -0.04 -0.20 0.92 1.21 -0.36 0.00 0.00 175.35 176.87 1j8s s ASN 193 N 1.43 6.57 -0.28 1.43 2.47 0.68 -0.57 114.94 126.67 1j8s s ASN 193 Ca 0.06 0.31 0.12 0.00 0.42 0.00 0.00 52.86 53.76 1j8s s ASN 193 Cb -0.14 -2.45 0.75 0.00 -1.45 0.00 0.00 41.25 37.95 1j8s s ASN 193 CO -0.06 -0.96 1.74 2.30 -3.72 0.00 0.00 177.10 176.40 1j8s n ILE 194 N 6.22 2.80 0.00 -5.21 -5.35 -0.47 -1.25 119.36 116.11 1j8s n ILE 194 Ca 0.06 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 1j8s n ILE 194 Cb 0.48 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1j8s n ILE 194 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j8s n GLY 195 N 0.05 0.56 0.00 3.28 0.00 -1.26 -5.00 105.19 102.83 1j8s n GLY 195 Ca 0.34 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1j8s n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93