#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk8 s ALA 3 N 0.00 3.21 0.39 1.55 0.00 -1.26 -4.96 121.76 120.69 1jk8 s ALA 3 Ca 0.00 0.25 0.12 0.00 0.00 0.00 0.00 51.96 52.33 1jk8 s ALA 3 Cb 0.00 -2.97 0.78 0.00 0.00 0.00 0.00 23.12 20.93 1jk8 s ALA 3 CO 0.00 0.24 1.87 -0.44 0.00 0.00 0.00 175.76 177.43 1jk8 h ASP 4 N 2.38 0.06 -4.22 0.00 3.32 -2.09 -3.43 116.42 112.44 1jk8 h ASP 4 Ca -0.48 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.40 1jk8 h ASP 4 Cb 1.18 -0.02 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 1jk8 h ASP 4 CO 0.64 0.35 -0.41 -1.00 -1.72 0.00 0.00 179.24 177.10 1jk8 s HIS 5 N -4.40 -0.21 -0.07 4.55 3.76 -1.26 -5.08 115.29 112.58 1jk8 s HIS 5 Ca -0.04 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.38 1jk8 s HIS 5 Cb 0.15 0.07 0.01 0.00 1.11 0.00 0.00 32.58 33.92 1jk8 s HIS 5 CO 0.72 -0.20 -0.17 0.08 -0.85 0.00 0.00 174.74 174.32 1jk8 s VAL 6 N -0.37 1.46 0.03 -0.90 1.01 -1.26 -5.02 120.40 115.35 1jk8 s VAL 6 Ca -0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1jk8 s VAL 6 Cb -0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1jk8 s VAL 6 CO 0.01 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 1jk8 s ALA 7 N 0.45 0.86 -0.54 5.51 0.00 -1.26 -0.96 121.76 125.82 1jk8 s ALA 7 Ca -0.14 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1jk8 s ALA 7 Cb -0.16 -0.09 0.14 0.00 0.00 0.00 0.00 23.12 23.00 1jk8 s ALA 7 CO 0.05 0.12 0.29 -1.12 0.00 0.00 0.00 175.76 175.10 1jk8 s SER 8 N -1.13 4.47 -1.36 0.00 0.01 -0.78 -4.96 113.70 109.95 1jk8 s SER 8 Ca -0.02 -2.98 -0.06 0.00 1.31 0.00 0.00 55.95 54.19 1jk8 s SER 8 Cb -0.08 -1.68 0.09 0.00 0.21 0.00 0.00 66.02 64.57 1jk8 s SER 8 CO 0.01 -0.25 2.42 -1.22 0.41 0.00 0.00 173.24 174.61 1jk8 n TYR 9 N 3.18 2.61 0.00 2.43 4.01 -1.26 -2.44 117.16 125.68 1jk8 n TYR 9 Ca 0.06 -2.86 0.00 0.00 -0.16 0.00 0.00 57.90 54.93 1jk8 n TYR 9 Cb 0.33 -1.95 0.00 0.00 -0.31 0.00 0.00 39.34 37.41 1jk8 n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jk8 n GLY 9 N 2.11 -0.48 3.24 2.72 0.00 -1.26 -5.07 105.19 106.46 1jk8 n GLY 9 Ca 0.63 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 46.48 1jk8 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jk8 s VAL 10 N 0.00 4.57 -0.16 1.61 1.01 -0.80 -5.02 120.40 121.61 1jk8 s VAL 10 Ca 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.17 1jk8 s VAL 10 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1jk8 s VAL 10 CO 0.00 -0.82 -0.01 0.20 0.00 0.00 0.00 175.10 174.47 1jk8 s ASN 11 N 2.88 5.02 -0.01 3.32 0.02 -1.26 -2.63 114.94 122.29 1jk8 s ASN 11 Ca 0.06 -0.07 0.03 0.00 -1.02 0.00 0.00 52.86 51.86 1jk8 s ASN 11 Cb -0.26 -1.82 -0.01 0.00 0.02 0.00 0.00 41.25 39.17 1jk8 s ASN 11 CO -0.00 0.18 -0.10 -0.22 0.02 0.00 0.00 177.10 176.97 1jk8 s LEU 12 N 0.33 2.03 -0.16 0.60 2.96 -0.36 -4.97 118.68 119.10 1jk8 s LEU 12 Ca -0.02 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1jk8 s LEU 12 Cb -0.14 -0.52 0.07 0.00 0.50 0.00 0.00 46.19 46.10 1jk8 s LEU 12 CO 0.02 0.12 0.33 -0.47 -1.32 0.00 0.00 176.35 175.03 1jk8 s TYR 13 N -0.26 -0.57 0.03 5.38 5.04 -1.26 -1.07 117.35 124.63 1jk8 s TYR 13 Ca 0.04 1.19 0.06 0.00 -2.44 0.00 0.00 57.07 55.92 1jk8 s TYR 13 Cb -0.04 0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.36 1jk8 s TYR 13 CO -0.00 -0.39 -0.14 -0.65 -1.34 0.00 0.00 175.55 173.03 1jk8 s GLN 14 N 2.33 2.26 0.23 4.97 -0.21 0.17 -4.99 119.66 124.41 1jk8 s GLN 14 Ca -0.02 -0.88 0.03 0.00 0.02 0.00 0.00 55.36 54.51 1jk8 s GLN 14 Cb -0.12 -2.31 0.24 0.00 1.00 0.00 0.00 33.01 31.83 1jk8 s GLN 14 CO -0.10 0.56 1.56 0.66 -2.12 0.00 0.00 175.29 175.85 1jk8 h SER 15 N 4.53 0.35 -2.60 5.90 4.64 -1.96 -2.28 113.55 122.12 1jk8 h SER 15 Ca -0.48 -0.19 -0.57 0.00 -0.47 0.00 0.00 61.79 60.09 1jk8 h SER 15 Cb 1.16 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1jk8 h SER 15 CO 0.50 0.84 1.22 -0.47 -0.87 0.00 0.00 176.83 178.05 1jk8 s TYR 16 N -3.85 1.83 0.00 4.77 5.04 -1.26 -3.63 117.35 120.25 1jk8 s TYR 16 Ca -0.05 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1jk8 s TYR 16 Cb 0.12 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1jk8 s TYR 16 CO 0.80 -3.38 0.00 0.41 -1.34 0.00 0.00 175.55 172.04 1jk8 n GLY 17 N 4.96 1.94 3.81 8.97 0.00 -1.26 -3.09 105.19 120.51 1jk8 n GLY 17 Ca 0.21 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1jk8 n GLY 17 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jk8 s PRO 18 N 0.00 2.28 0.08 1.61 0.02 -1.24 -5.20 135.00 132.56 1jk8 s PRO 18 Ca 0.00 0.73 -0.15 0.00 0.02 0.00 0.00 61.00 61.60 1jk8 s PRO 18 Cb 0.00 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.61 1jk8 s PRO 18 CO 0.00 -1.50 0.35 -1.54 -0.33 0.00 0.00 177.00 173.98 1jk8 s SER 19 N -3.86 -0.16 0.35 2.53 1.04 -0.86 -5.00 113.70 107.73 1jk8 s SER 19 Ca 0.60 -0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.69 1jk8 s SER 19 Cb -0.14 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1jk8 s SER 19 CO 0.54 -0.74 0.55 -0.83 0.98 0.00 0.00 173.24 173.75 1jk8 s GLY 20 N -2.47 1.15 -0.11 7.32 0.00 -1.26 0.42 107.32 112.36 1jk8 s GLY 20 Ca -0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 44.72 43.29 1jk8 s GLY 20 CO -0.08 -0.81 0.37 1.62 0.00 0.00 0.00 173.10 174.21 1jk8 s GLN 21 N -2.96 0.52 -0.05 2.90 0.74 -0.23 -4.96 119.66 115.63 1jk8 s GLN 21 Ca 0.26 0.34 -0.00 0.00 0.05 0.00 0.00 55.36 56.01 1jk8 s GLN 21 Cb -0.02 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.37 1jk8 s GLN 21 CO 0.17 -0.09 -0.00 -0.47 -0.55 0.00 0.00 175.29 174.34 1jk8 s TYR 22 N -0.23 0.53 0.25 1.67 5.04 -1.26 -1.23 117.35 122.12 1jk8 s TYR 22 Ca -0.04 -0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 54.32 1jk8 s TYR 22 Cb -0.03 -0.62 0.02 0.00 0.35 0.00 0.00 41.96 41.67 1jk8 s TYR 22 CO 0.02 -0.22 0.61 -1.54 -1.34 0.00 0.00 175.55 173.07 1jk8 s SER 23 N 1.45 -0.22 0.06 4.32 1.04 -1.08 -0.92 113.70 118.34 1jk8 s SER 23 Ca -0.03 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 55.82 1jk8 s SER 23 Cb -0.13 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1jk8 s SER 23 CO -0.03 -1.22 -0.21 -1.00 0.98 0.00 0.00 173.24 171.76 1jk8 s HIS 24 N -3.93 1.86 0.09 5.02 3.76 -0.52 -1.90 115.29 119.67 1jk8 s HIS 24 Ca 0.14 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1jk8 s HIS 24 Cb -0.03 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 1jk8 s HIS 24 CO 0.05 0.13 -0.11 -1.21 -0.85 0.00 0.00 174.74 172.75 1jk8 s GLU 25 N -1.37 0.84 -0.14 1.40 2.02 -1.02 -0.36 118.70 120.07 1jk8 s GLU 25 Ca 0.08 -1.11 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 1jk8 s GLU 25 Cb -0.09 -0.59 0.07 0.00 0.10 0.00 0.00 34.13 33.61 1jk8 s GLU 25 CO 0.02 0.10 0.22 0.12 0.02 0.00 0.00 175.26 175.75 1jk8 s PHE 26 N -2.18 -0.31 -1.36 1.61 5.36 -0.56 -1.87 117.98 118.68 1jk8 s PHE 26 Ca 0.04 0.64 -0.06 0.00 -0.96 0.00 0.00 56.93 56.59 1jk8 s PHE 26 Cb -0.05 -0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1jk8 s PHE 26 CO 0.01 -0.40 0.97 -0.25 -1.46 0.00 0.00 175.22 174.09 1jk8 n ASP 27 N 5.33 -3.71 0.00 6.13 8.00 -0.13 -2.59 116.55 129.58 1jk8 n ASP 27 Ca -0.05 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1jk8 n ASP 27 Cb 0.50 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 1jk8 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jk8 n GLY 28 N -1.63 0.76 3.55 0.44 0.00 -1.26 -5.03 105.19 102.02 1jk8 n GLY 28 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1jk8 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jk8 s ASP 29 N -2.62 4.16 -0.29 1.61 1.01 -1.07 -4.99 116.67 114.48 1jk8 s ASP 29 Ca 0.00 -0.58 -0.27 0.00 0.71 0.00 0.00 52.55 52.41 1jk8 s ASP 29 Cb 0.00 -0.68 0.01 0.00 1.01 0.00 0.00 42.92 43.26 1jk8 s ASP 29 CO 0.00 0.12 0.94 -0.70 0.21 0.00 0.00 175.17 175.74 1jk8 s GLU 30 N -2.68 4.07 0.06 8.23 2.12 -1.26 -1.50 118.70 127.74 1jk8 s GLU 30 Ca 0.23 0.93 -0.13 0.00 0.36 0.00 0.00 54.97 56.36 1jk8 s GLU 30 Cb -0.09 -3.71 -0.27 0.00 0.26 0.00 0.00 34.13 30.31 1jk8 s GLU 30 CO 0.14 -0.74 1.12 0.93 -0.54 0.00 0.00 175.26 176.17 1jk8 h GLU 31 N 7.96 0.60 -1.55 4.30 5.08 -1.05 -3.41 114.58 126.51 1jk8 h GLU 31 Ca -0.22 -0.79 0.28 0.00 -1.00 0.00 0.00 59.36 57.63 1jk8 h GLU 31 Cb 1.08 0.26 -0.15 0.00 0.50 0.00 0.00 28.75 30.44 1jk8 h GLU 31 CO 0.96 1.35 0.79 -0.59 -1.00 0.00 0.00 179.01 180.52 1jk8 s PHE 32 N -3.00 -0.09 0.06 4.33 -0.12 -1.22 -1.11 117.98 116.82 1jk8 s PHE 32 Ca -0.09 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1jk8 s PHE 32 Cb 0.06 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1jk8 s PHE 32 CO 0.93 -0.29 -0.05 1.52 -0.05 0.00 0.00 175.22 177.28 1jk8 s TYR 33 N -2.51 0.60 -0.24 3.49 -0.85 -1.09 -1.44 117.35 115.30 1jk8 s TYR 33 Ca 0.12 -0.83 -0.06 0.00 -0.52 0.00 0.00 57.07 55.77 1jk8 s TYR 33 Cb 0.02 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.95 1jk8 s TYR 33 CO -0.04 -0.23 0.04 0.08 -1.52 0.00 0.00 175.55 173.88 1jk8 s VAL 34 N -2.96 4.07 -0.27 -3.49 1.01 -0.10 -0.78 120.40 117.88 1jk8 s VAL 34 Ca 0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1jk8 s VAL 34 Cb 0.01 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1jk8 s VAL 34 CO -0.05 0.35 1.94 -0.62 0.00 0.00 0.00 175.10 176.71 1jk8 s ASP 35 N 1.58 5.79 0.24 3.32 -1.08 -0.16 -4.55 116.67 121.80 1jk8 s ASP 35 Ca 0.06 1.57 -0.01 0.00 -0.52 0.00 0.00 52.55 53.65 1jk8 s ASP 35 Cb -0.15 -2.52 0.29 0.00 -1.46 0.00 0.00 42.92 39.08 1jk8 s ASP 35 CO 0.02 -1.75 1.67 -0.07 0.52 0.00 0.00 175.17 175.56 1jk8 h LEU 36 N 13.95 0.64 -0.26 -1.34 3.38 -1.93 0.33 115.31 130.08 1jk8 h LEU 36 Ca -0.37 -0.22 -0.21 0.00 0.09 0.00 0.00 57.88 57.17 1jk8 h LEU 36 Cb 1.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jk8 h LEU 36 CO 1.00 0.86 -0.83 -0.33 0.09 0.00 0.00 178.44 179.23 1jk8 h GLU 37 N 0.55 0.48 -0.01 1.13 3.07 -1.98 -3.28 114.58 114.54 1jk8 h GLU 37 Ca 0.08 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1jk8 h GLU 37 Cb 0.71 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1jk8 h GLU 37 CO 0.05 1.08 -0.63 0.54 -1.40 0.00 0.00 179.01 178.66 1jk8 n ARG 38 N -3.82 0.55 -3.73 2.33 1.74 -1.19 -4.99 116.66 107.55 1jk8 n ARG 38 Ca -0.06 -0.42 -0.28 0.00 -0.77 0.00 0.00 57.85 56.32 1jk8 n ARG 38 Cb 0.77 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.75 1jk8 n ARG 38 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1jk8 n LYS 39 N -0.86 -2.39 -4.00 5.56 4.81 0.11 -5.00 118.16 116.40 1jk8 n LYS 39 Ca 0.07 0.49 -0.17 0.00 -0.87 0.00 0.00 58.31 57.84 1jk8 n LYS 39 Cb 0.38 -4.48 -0.16 0.00 0.02 0.00 0.00 35.03 30.79 1jk8 n LYS 39 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1jk8 s GLU 40 N -6.03 0.39 0.01 1.64 2.02 -1.11 -4.82 118.70 110.81 1jk8 s GLU 40 Ca 0.28 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 1jk8 s GLU 40 Cb -0.10 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.59 1jk8 s GLU 40 CO 0.85 -0.08 1.06 0.99 0.02 0.00 0.00 175.26 178.11 1jk8 s THR 41 N 0.76 4.56 -0.48 3.63 2.01 -1.26 -0.99 115.64 123.87 1jk8 s THR 41 Ca -0.08 1.84 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1jk8 s THR 41 Cb -0.11 -4.18 0.13 0.00 0.01 0.00 0.00 72.50 68.34 1jk8 s THR 41 CO -0.01 0.13 0.25 -0.69 -0.69 0.00 0.00 174.62 173.61 1jk8 s VAL 42 N 1.11 3.01 0.56 3.82 1.01 0.04 -4.97 120.40 124.98 1jk8 s VAL 42 Ca 0.54 -2.69 -0.18 0.00 0.00 0.00 0.00 61.98 59.65 1jk8 s VAL 42 Cb -0.24 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1jk8 s VAL 42 CO 0.28 -0.75 1.10 0.26 0.00 0.00 0.00 175.10 175.99 1jk8 s TRP 43 N 0.39 2.77 -1.91 5.22 0.52 -1.26 -2.68 118.94 121.99 1jk8 s TRP 43 Ca 0.13 1.55 0.26 0.00 0.02 0.00 0.00 56.10 58.06 1jk8 s TRP 43 Cb -0.22 -3.18 0.69 0.00 -1.15 0.00 0.00 33.47 29.61 1jk8 s TRP 43 CO -0.04 -1.39 1.53 1.04 0.02 0.00 0.00 176.95 178.11 1jk8 n GLN 44 N -1.55 1.02 -3.89 4.98 1.13 -0.27 -4.91 117.38 113.89 1jk8 n GLN 44 Ca 0.11 -0.64 -0.11 0.00 -1.94 0.00 0.00 57.00 54.41 1jk8 n GLN 44 Cb 0.52 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 1jk8 n GLN 44 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1jk8 s LEU 45 N -2.42 1.76 0.32 1.08 1.43 -1.26 -5.02 118.68 114.56 1jk8 s LEU 45 Ca 0.25 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1jk8 s LEU 45 Cb 0.19 0.39 0.57 0.00 0.03 0.00 0.00 46.19 47.38 1jk8 s LEU 45 CO 0.50 -0.22 1.95 -0.65 0.23 0.00 0.00 176.35 178.16 1jk8 h PRO 46 N 5.04 0.93 -0.82 1.29 0.11 -2.00 -0.53 132.00 136.03 1jk8 h PRO 46 Ca -0.29 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.82 1jk8 h PRO 46 Cb 1.20 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 1jk8 h PRO 46 CO 0.42 0.62 0.51 1.25 -0.21 0.00 0.00 178.00 180.59 1jk8 h LEU 47 N 0.96 0.82 -0.11 2.35 5.85 -1.99 -1.83 115.31 121.36 1jk8 h LEU 47 Ca 0.32 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 1jk8 h LEU 47 Cb 0.08 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1jk8 h LEU 47 CO -0.10 0.54 -0.17 -0.26 -0.34 0.00 0.00 178.44 178.11 1jk8 h PHE 48 N 0.96 0.38 -0.21 1.25 0.04 -1.52 -2.49 116.94 115.35 1jk8 h PHE 48 Ca 0.35 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 61.03 1jk8 h PHE 48 Cb 0.11 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1jk8 h PHE 48 CO -0.03 0.77 0.14 0.00 -0.60 0.00 0.00 178.31 178.59 1jk8 h ARG 49 N -0.12 0.10 -0.07 1.51 3.08 -1.22 0.80 114.38 118.47 1jk8 h ARG 49 Ca 0.01 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1jk8 h ARG 49 Cb 0.73 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.77 1jk8 h ARG 49 CO 0.04 0.07 -0.44 -0.09 -1.07 0.00 0.00 179.97 178.47 1jk8 h ARG 50 N 0.11 0.42 0.00 0.04 1.12 -1.26 -3.39 114.38 111.42 1jk8 h ARG 50 Ca 0.09 -0.36 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 1jk8 h ARG 50 Cb 0.24 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1jk8 h ARG 50 CO -0.01 1.00 -0.86 1.19 -3.11 0.00 0.00 179.97 178.19 1jk8 n PHE 51 N -4.31 0.00 -4.19 2.20 3.72 -0.95 -5.03 117.46 108.91 1jk8 n PHE 51 Ca -0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.14 1jk8 n PHE 51 Cb 0.57 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.95 1jk8 n PHE 51 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1jk8 s ARG 52 N -2.55 0.87 -0.01 -1.08 1.70 0.25 -5.08 118.95 113.05 1jk8 s ARG 52 Ca 0.04 -1.07 -0.00 0.00 -0.47 0.00 0.00 55.73 54.23 1jk8 s ARG 52 Cb 0.12 -0.76 0.01 0.00 -0.57 0.00 0.00 34.95 33.75 1jk8 s ARG 52 CO 0.64 0.15 0.02 -0.98 -1.08 0.00 0.00 175.30 174.05 1jk8 s ARG 53 N -2.24 0.00 -0.06 3.89 1.70 -1.26 -4.60 118.95 116.38 1jk8 s ARG 53 Ca 0.02 0.08 0.01 0.00 -0.47 0.00 0.00 55.73 55.37 1jk8 s ARG 53 Cb -0.07 -0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.26 1jk8 s ARG 53 CO 0.02 -0.06 -0.05 0.12 -1.08 0.00 0.00 175.30 174.25 1jk8 s PHE 54 N 0.37 0.92 -0.23 5.89 5.36 -1.26 -5.11 117.98 123.91 1jk8 s PHE 54 Ca -0.03 -0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 55.34 1jk8 s PHE 54 Cb -0.04 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.82 1jk8 s PHE 54 CO -0.01 -0.25 1.44 0.34 -1.46 0.00 0.00 175.22 175.28 1jk8 s ASP 55 N 1.09 6.59 0.43 6.13 -1.08 -1.26 -4.74 116.67 123.85 1jk8 s ASP 55 Ca -0.08 1.51 0.14 0.00 -0.52 0.00 0.00 52.55 53.60 1jk8 s ASP 55 Cb -0.14 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.82 1jk8 s ASP 55 CO -0.01 -1.10 1.97 -0.65 0.52 0.00 0.00 175.17 175.91 1jk8 h PRO 56 N 9.72 0.39 -0.56 4.34 0.11 -1.95 -1.83 132.00 142.22 1jk8 h PRO 56 Ca -0.30 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.89 1jk8 h PRO 56 Cb 1.13 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1jk8 h PRO 56 CO 1.01 0.26 0.38 0.37 -0.21 0.00 0.00 178.00 179.81 1jk8 h GLN 57 N 0.40 0.29 -0.51 1.05 5.75 -1.90 -0.65 115.11 119.55 1jk8 h GLN 57 Ca 0.29 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 1jk8 h GLN 57 Cb 0.60 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1jk8 h GLN 57 CO -0.08 0.19 0.04 0.74 -2.65 0.00 0.00 178.83 177.07 1jk8 h PHE 58 N 0.30 0.87 -0.11 3.99 0.04 -1.73 -1.80 116.94 118.50 1jk8 h PHE 58 Ca 0.26 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1jk8 h PHE 58 Cb 0.63 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1jk8 h PHE 58 CO -0.00 0.78 0.05 0.00 -0.60 0.00 0.00 178.31 178.54 1jk8 h ALA 59 N 1.26 0.14 -0.97 2.45 0.00 -1.25 -2.46 119.26 118.42 1jk8 h ALA 59 Ca 0.16 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1jk8 h ALA 59 Cb 0.42 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1jk8 h ALA 59 CO 0.01 -0.29 0.63 -0.07 0.00 0.00 0.00 179.25 179.53 1jk8 h LEU 60 N 0.04 1.01 -0.57 0.00 3.38 -1.11 -1.09 115.31 116.97 1jk8 h LEU 60 Ca 0.04 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1jk8 h LEU 60 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1jk8 h LEU 60 CO -0.00 0.66 -0.05 0.74 0.09 0.00 0.00 178.44 179.88 1jk8 h THR 61 N 1.16 1.27 -0.00 0.22 2.02 -1.22 -1.99 112.91 114.36 1jk8 h THR 61 Ca 0.41 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1jk8 h THR 61 Cb 0.12 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1jk8 h THR 61 CO -0.16 0.43 -0.00 0.78 0.37 0.00 0.00 175.52 176.94 1jk8 h ASN 62 N 0.93 0.00 -0.69 4.18 4.21 -1.04 -2.73 115.58 120.43 1jk8 h ASN 62 Ca 0.16 -0.33 0.14 0.00 1.21 0.00 0.00 56.30 57.48 1jk8 h ASN 62 Cb 0.61 -0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.77 1jk8 h ASN 62 CO 0.04 0.33 0.47 0.40 -1.29 0.00 0.00 177.43 177.38 1jk8 h ILE 63 N -0.33 0.80 -0.40 2.81 1.08 -1.18 0.12 117.51 120.41 1jk8 h ILE 63 Ca 0.00 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1jk8 h ILE 63 Cb 0.33 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 1jk8 h ILE 63 CO 0.00 0.06 -0.16 0.00 -0.69 0.00 0.00 178.15 177.37 1jk8 h ALA 64 N 1.67 0.98 -0.13 1.87 0.00 -1.07 -2.34 119.26 120.23 1jk8 h ALA 64 Ca 0.34 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1jk8 h ALA 64 Cb 0.82 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jk8 h ALA 64 CO -0.09 0.60 -0.57 0.28 0.00 0.00 0.00 179.25 179.47 1jk8 h VAL 65 N 0.66 1.35 -0.68 0.00 2.07 -0.53 -2.52 116.25 116.59 1jk8 h VAL 65 Ca 0.11 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1jk8 h VAL 65 Cb 0.63 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1jk8 h VAL 65 CO 0.04 0.57 0.36 -0.07 0.02 0.00 0.00 177.57 178.49 1jk8 h LEU 66 N 0.31 0.85 -0.46 2.57 3.38 -0.81 0.18 115.31 121.33 1jk8 h LEU 66 Ca 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1jk8 h LEU 66 Cb 1.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1jk8 h LEU 66 CO 0.10 0.70 0.12 0.50 0.09 0.00 0.00 178.44 179.95 1jk8 h LYS 67 N 0.95 0.72 -0.66 1.13 3.64 -1.28 0.28 116.57 121.35 1jk8 h LYS 67 Ca 0.24 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1jk8 h LYS 67 Cb 0.05 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1jk8 h LYS 67 CO -0.04 0.70 0.41 1.25 -2.27 0.00 0.00 179.45 179.51 1jk8 h HIS 68 N 0.60 0.77 -0.12 1.91 2.76 -0.85 -2.65 115.15 117.58 1jk8 h HIS 68 Ca 0.14 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1jk8 h HIS 68 Cb 0.30 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 1jk8 h HIS 68 CO 0.02 0.44 -0.17 -0.91 -1.30 0.00 0.00 177.93 176.01 1jk8 h ASN 69 N 0.81 0.35 -0.27 3.26 4.21 -0.27 -3.21 115.58 120.46 1jk8 h ASN 69 Ca 0.27 -0.52 0.06 0.00 1.21 0.00 0.00 56.30 57.32 1jk8 h ASN 69 Cb 0.02 -0.10 -0.06 0.00 -1.12 0.00 0.00 38.32 37.05 1jk8 h ASN 69 CO -0.10 0.81 -0.15 0.25 -1.29 0.00 0.00 177.43 176.94 1jk8 h LEU 70 N -0.09 -0.49 -1.01 1.61 5.85 -0.31 -0.11 115.31 120.77 1jk8 h LEU 70 Ca 0.01 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1jk8 h LEU 70 Cb 0.73 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1jk8 h LEU 70 CO 0.04 -0.18 0.65 0.78 -0.34 0.00 0.00 178.44 179.38 1jk8 h ASN 71 N -0.12 1.02 -0.28 1.25 -0.26 -1.58 0.22 115.58 115.83 1jk8 h ASN 71 Ca 0.15 0.02 -0.14 0.00 -0.56 0.00 0.00 56.30 55.76 1jk8 h ASN 71 Cb 0.34 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1jk8 h ASN 71 CO -0.35 0.62 -0.35 0.40 -1.06 0.00 0.00 177.43 176.70 1jk8 h ILE 72 N 1.14 1.28 0.00 2.81 2.04 -1.36 -2.98 117.51 120.45 1jk8 h ILE 72 Ca 0.45 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1jk8 h ILE 72 Cb 0.25 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1jk8 h ILE 72 CO -0.20 0.50 -0.25 0.58 0.00 0.00 0.00 178.15 178.78 1jk8 h VAL 73 N 0.68 0.43 -0.54 1.67 2.07 -0.20 -2.06 116.25 118.30 1jk8 h VAL 73 Ca 0.07 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1jk8 h VAL 73 Cb 0.90 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1jk8 h VAL 73 CO 0.08 0.24 0.15 0.40 0.02 0.00 0.00 177.57 178.46 1jk8 h ILE 74 N 0.00 1.24 -0.16 4.57 2.04 -0.51 -1.06 117.51 123.63 1jk8 h ILE 74 Ca -0.00 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1jk8 h ILE 74 Cb 1.18 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1jk8 h ILE 74 CO 0.03 0.31 -0.03 0.11 0.00 0.00 0.00 178.15 178.57 1jk8 h LYS 75 N 0.76 0.30 -0.36 2.37 1.57 -1.44 0.57 116.57 120.34 1jk8 h LYS 75 Ca 0.17 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1jk8 h LYS 75 Cb 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1jk8 h LYS 75 CO -0.00 0.56 0.24 -0.09 -0.57 0.00 0.00 179.45 179.59 1jk8 h ARG 76 N 0.01 0.37 -0.61 3.15 2.43 -1.21 -2.02 114.38 116.49 1jk8 h ARG 76 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1jk8 h ARG 76 Cb 0.45 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1jk8 h ARG 76 CO 0.01 0.25 0.00 -1.13 -1.51 0.00 0.00 179.97 177.59 1jk8 n SER 77 N -4.49 3.63 -3.44 -3.80 3.41 -0.42 -4.90 113.62 103.62 1jk8 n SER 77 Ca 0.03 -2.32 -0.24 0.00 -0.26 0.00 0.00 58.87 56.08 1jk8 n SER 77 Cb 0.15 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.66 1jk8 n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jk8 n ASN 78 N 0.79 -5.87 -2.60 4.04 3.02 -0.76 -2.40 115.26 111.48 1jk8 n ASN 78 Ca 0.19 -0.48 -0.19 0.00 -0.03 0.00 0.00 54.58 54.07 1jk8 n ASN 78 Cb 0.68 -4.68 0.03 0.00 -0.61 0.00 0.00 39.78 35.21 1jk8 n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jk8 n SER 79 N -2.77 -5.46 -4.64 6.41 7.64 0.20 -4.93 113.62 110.06 1jk8 n SER 79 Ca -0.03 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.18 1jk8 n SER 79 Cb 0.57 -4.29 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 1jk8 n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jk8 s THR 80 N -3.09 3.20 0.49 0.44 2.01 -1.01 -4.96 115.64 112.72 1jk8 s THR 80 Ca 0.27 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.40 1jk8 s THR 80 Cb -0.12 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1jk8 s THR 80 CO 0.33 -0.05 0.85 0.00 -0.69 0.00 0.00 174.62 175.07 1jk8 s ALA 81 N 5.21 3.28 0.58 7.40 0.00 -1.26 -5.03 121.76 131.94 1jk8 s ALA 81 Ca 0.86 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1jk8 s ALA 81 Cb -0.37 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1jk8 s ALA 81 CO 0.37 -0.30 1.12 0.00 0.00 0.00 0.00 175.76 176.95 1jk8 s ALA 82 N -2.70 2.63 -0.03 0.00 0.00 -1.26 -5.02 121.76 115.38 1jk8 s ALA 82 Ca 0.52 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 1jk8 s ALA 82 Cb -0.10 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1jk8 s ALA 82 CO 0.41 -0.93 0.36 0.99 0.00 0.00 0.00 175.76 176.60 1jk8 s THR 83 N -1.94 5.12 0.27 0.00 2.01 -1.26 -5.00 115.64 114.83 1jk8 s THR 83 Ca 0.71 0.73 -0.24 0.00 0.31 0.00 0.00 61.69 63.21 1jk8 s THR 83 Cb -0.23 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1jk8 s THR 83 CO 0.31 0.57 0.85 0.20 -0.69 0.00 0.00 174.62 175.87 1jk8 s ASN 84 N -0.96 7.25 0.27 3.53 0.01 -1.26 -4.25 114.94 119.54 1jk8 s ASN 84 Ca 0.22 1.67 0.10 0.00 -0.71 0.00 0.00 52.86 54.14 1jk8 s ASN 84 Cb -0.16 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1jk8 s ASN 84 CO 0.11 0.00 -0.02 -1.61 -1.51 0.00 0.00 177.10 174.08 1jk8 s GLU 85 N -1.92 2.24 -0.24 -0.60 0.41 -0.13 -4.93 118.70 113.53 1jk8 s GLU 85 Ca 0.46 -1.45 -0.21 0.00 -0.41 0.00 0.00 54.97 53.35 1jk8 s GLU 85 Cb -0.19 -2.12 -0.02 0.00 -1.78 0.00 0.00 34.13 30.02 1jk8 s GLU 85 CO 0.23 0.35 0.66 0.08 -0.49 0.00 0.00 175.26 176.10 1jk8 s VAL 86 N -2.35 4.97 0.38 2.63 1.01 -1.26 -4.12 120.40 121.66 1jk8 s VAL 86 Ca 0.31 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.25 1jk8 s VAL 86 Cb -0.06 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1jk8 s VAL 86 CO 0.20 0.03 1.11 -2.84 0.00 0.00 0.00 175.10 173.59 1jk8 s PRO 87 N 2.44 4.20 -0.22 2.72 0.02 -1.26 -4.84 135.00 138.07 1jk8 s PRO 87 Ca 0.28 1.70 -0.06 0.00 0.02 0.00 0.00 61.00 62.94 1jk8 s PRO 87 Cb -0.16 -2.71 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 1jk8 s PRO 87 CO 0.09 -0.15 0.03 -1.21 -0.33 0.00 0.00 177.00 175.43 1jk8 s GLU 88 N -2.23 3.67 -0.12 5.54 2.02 -0.53 -4.94 118.70 122.11 1jk8 s GLU 88 Ca 0.55 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 55.05 1jk8 s GLU 88 Cb -0.27 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 1jk8 s GLU 88 CO 0.34 -0.04 -0.08 0.08 0.02 0.00 0.00 175.26 175.59 1jk8 s VAL 89 N 1.17 3.58 -0.03 2.63 1.01 -1.26 0.16 120.40 127.66 1jk8 s VAL 89 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1jk8 s VAL 89 Cb -0.14 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1jk8 s VAL 89 CO 0.02 0.54 0.01 -0.89 0.00 0.00 0.00 175.10 174.78 1jk8 s THR 90 N -0.08 0.14 -0.08 3.92 2.01 -0.26 -5.00 115.64 116.30 1jk8 s THR 90 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1jk8 s THR 90 Cb -0.13 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1jk8 s THR 90 CO 0.03 0.14 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.26 1jk8 s VAL 91 N 1.13 2.92 0.10 3.82 1.01 -1.26 -0.38 120.40 127.74 1jk8 s VAL 91 Ca -0.08 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1jk8 s VAL 91 Cb -0.13 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.16 1jk8 s VAL 91 CO -0.02 0.57 0.64 0.72 0.00 0.00 0.00 175.10 177.01 1jk8 s PHE 92 N -0.32 -0.55 0.41 5.22 -0.12 -0.27 -5.00 117.98 117.34 1jk8 s PHE 92 Ca 0.03 0.49 -0.22 0.00 -0.05 0.00 0.00 56.93 57.18 1jk8 s PHE 92 Cb -0.13 0.53 -0.11 0.00 -0.63 0.00 0.00 43.02 42.68 1jk8 s PHE 92 CO 0.02 -0.77 0.96 0.45 -0.05 0.00 0.00 175.22 175.83 1jk8 s SER 93 N -2.38 7.00 0.07 1.98 0.15 -1.26 0.02 113.70 119.27 1jk8 s SER 93 Ca -0.01 1.74 -0.02 0.00 0.70 0.00 0.00 55.95 58.36 1jk8 s SER 93 Cb -0.01 -2.55 -0.27 0.00 -1.71 0.00 0.00 66.02 61.48 1jk8 s SER 93 CO -0.08 -0.32 1.10 0.50 1.20 0.00 0.00 173.24 175.65 1jk8 h LYS 94 N 2.19 0.21 -5.12 5.44 3.64 -1.51 -3.46 116.57 117.96 1jk8 h LYS 94 Ca -0.49 -0.36 -0.35 0.00 -1.27 0.00 0.00 60.65 58.18 1jk8 h LYS 94 Cb 1.19 0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 32.97 1jk8 h LYS 94 CO 0.62 1.14 -0.74 -1.12 -2.27 0.00 0.00 179.45 177.09 1jk8 s SER 95 N -7.01 1.69 0.26 4.20 0.01 -1.26 -5.04 113.70 106.54 1jk8 s SER 95 Ca -0.04 -0.86 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 1jk8 s SER 95 Cb 0.08 -0.02 -0.14 0.00 0.21 0.00 0.00 66.02 66.14 1jk8 s SER 95 CO 0.87 -0.24 1.03 -2.65 0.41 0.00 0.00 173.24 172.65 1jk8 n PRO 96 N 0.37 1.27 -2.88 12.44 -0.02 -1.26 -4.85 135.00 140.07 1jk8 n PRO 96 Ca -0.14 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1jk8 n PRO 96 Cb 0.58 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 1jk8 n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jk8 s VAL 97 N -0.85 4.74 -0.13 -1.45 1.01 -1.26 -5.01 120.40 117.44 1jk8 s VAL 97 Ca 0.62 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1jk8 s VAL 97 Cb -0.74 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 31.47 1jk8 s VAL 97 CO 0.58 -0.29 -0.06 0.42 0.00 0.00 0.00 175.10 175.75 1jk8 s THR 98 N 3.09 1.04 0.13 3.92 -4.23 -1.26 -5.10 115.64 113.23 1jk8 s THR 98 Ca 0.35 -0.41 -0.34 0.00 -1.18 0.00 0.00 61.69 60.11 1jk8 s THR 98 Cb -0.14 -1.13 -0.16 0.00 1.34 0.00 0.00 72.50 72.41 1jk8 s THR 98 CO 0.13 0.27 1.19 0.18 -0.54 0.00 0.00 174.62 175.85 1jk8 n LEU 99 N 4.92 1.37 0.00 4.79 4.77 -1.26 -1.22 117.00 130.37 1jk8 n LEU 99 Ca -0.12 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 1jk8 n LEU 99 Cb 0.49 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1jk8 n LEU 99 CO 0.16 -1.31 0.00 0.61 -1.33 0.00 0.00 177.39 175.52 1jk8 n GLY 100 N 2.14 2.21 3.55 -0.72 0.00 -1.00 -5.01 105.19 106.36 1jk8 n GLY 100 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1jk8 n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jk8 s GLN 101 N -0.36 3.64 0.14 1.61 0.74 -0.36 -4.89 119.66 120.18 1jk8 s GLN 101 Ca 0.00 -0.54 -0.33 0.00 0.05 0.00 0.00 55.36 54.54 1jk8 s GLN 101 Cb 0.00 -3.75 -0.17 0.00 1.10 0.00 0.00 33.01 30.19 1jk8 s GLN 101 CO 0.00 -0.35 0.96 -2.30 -0.55 0.00 0.00 175.29 173.04 1jk8 n PRO 102 N 5.09 0.55 -1.38 1.67 -0.02 -1.26 -4.26 135.00 135.38 1jk8 n PRO 102 Ca -0.13 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1jk8 n PRO 102 Cb 0.50 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1jk8 n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1jk8 n ASN 103 N 1.84 0.00 -3.71 2.55 2.85 0.13 -5.00 115.26 113.92 1jk8 n ASN 103 Ca 0.17 -0.78 -0.12 0.00 -0.11 0.00 0.00 54.58 53.75 1jk8 n ASN 103 Cb 0.21 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.10 1jk8 n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1jk8 s THR 104 N -2.04 -0.08 0.13 -0.44 2.01 -1.26 -1.35 115.64 112.62 1jk8 s THR 104 Ca 0.00 0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 1jk8 s THR 104 Cb 0.00 -0.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 1jk8 s THR 104 CO 0.00 0.06 0.54 -0.76 -0.69 0.00 0.00 174.62 173.76 1jk8 s LEU 105 N 1.42 4.35 -0.12 4.42 1.43 0.39 -1.21 118.68 129.36 1jk8 s LEU 105 Ca -0.09 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1jk8 s LEU 105 Cb -0.10 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1jk8 s LEU 105 CO -0.10 0.12 -0.21 -0.63 0.23 0.00 0.00 176.35 175.76 1jk8 s ILE 106 N -1.43 1.92 -0.29 -0.59 1.01 0.10 -2.17 121.20 119.75 1jk8 s ILE 106 Ca 0.37 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1jk8 s ILE 106 Cb -0.15 -1.70 0.06 0.00 0.01 0.00 0.00 42.46 40.68 1jk8 s ILE 106 CO 0.19 0.52 -0.04 0.00 0.00 0.00 0.00 174.94 175.62 1jk8 s LEU 108 N 1.17 4.07 -0.41 0.00 0.20 0.48 -0.87 118.68 123.31 1jk8 s LEU 108 Ca -0.06 0.29 -0.07 0.00 0.69 0.00 0.00 54.13 54.98 1jk8 s LEU 108 Cb -0.20 -2.39 0.09 0.00 -0.43 0.00 0.00 46.19 43.26 1jk8 s LEU 108 CO -0.03 -0.13 0.23 -0.69 -0.29 0.00 0.00 176.35 175.44 1jk8 s VAL 109 N 1.80 3.91 0.38 1.68 1.01 -0.29 -1.10 120.40 127.79 1jk8 s VAL 109 Ca 0.14 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.60 1jk8 s VAL 109 Cb -0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1jk8 s VAL 109 CO 0.09 -0.53 0.55 -0.62 0.00 0.00 0.00 175.10 174.58 1jk8 s ASP 110 N 2.03 5.92 -1.23 3.32 -1.08 0.12 -1.78 116.67 123.98 1jk8 s ASP 110 Ca 0.04 0.00 -0.12 0.00 -0.52 0.00 0.00 52.55 51.95 1jk8 s ASP 110 Cb -0.23 -1.37 -0.01 0.00 -1.46 0.00 0.00 42.92 39.86 1jk8 s ASP 110 CO 0.00 -0.53 0.69 -3.20 0.52 0.00 0.00 175.17 172.65 1jk8 n ASN 111 N -1.81 -3.39 -4.77 -0.34 5.15 -1.17 -1.45 115.26 107.48 1jk8 n ASN 111 Ca 0.00 -0.97 -0.37 0.00 -0.60 0.00 0.00 54.58 52.64 1jk8 n ASN 111 Cb 0.58 -3.46 -0.06 0.00 -0.53 0.00 0.00 39.78 36.30 1jk8 n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1jk8 s ILE 112 N -3.62 5.22 -0.30 -1.44 1.01 0.74 -4.18 121.20 118.63 1jk8 s ILE 112 Ca 0.28 0.68 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 1jk8 s ILE 112 Cb -0.10 -3.67 0.20 0.00 0.01 0.00 0.00 42.46 38.91 1jk8 s ILE 112 CO 0.86 0.45 1.24 0.12 0.00 0.00 0.00 174.94 177.61 1jk8 s PHE 113 N -0.09 -0.11 0.94 3.97 5.36 -1.26 -0.83 117.98 125.95 1jk8 s PHE 113 Ca 0.20 0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 56.26 1jk8 s PHE 113 Cb -0.14 0.06 0.15 0.00 -0.34 0.00 0.00 43.02 42.75 1jk8 s PHE 113 CO 0.08 -0.05 1.10 -1.25 -1.46 0.00 0.00 175.22 173.63 1jk8 s PRO 114 N 1.22 0.94 -0.85 10.12 0.04 -1.26 -0.96 135.00 144.25 1jk8 s PRO 114 Ca -0.07 0.59 -0.22 0.00 0.04 0.00 0.00 61.00 61.34 1jk8 s PRO 114 Cb -0.02 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 1jk8 s PRO 114 CO -0.11 -2.40 1.94 -0.35 0.04 0.00 0.00 177.00 176.12 1jk8 n PRO 115 N -3.96 1.61 -3.59 0.56 -0.04 -1.26 -4.74 135.00 123.58 1jk8 n PRO 115 Ca 0.06 -1.96 -0.19 0.00 -0.04 0.00 0.00 63.50 61.37 1jk8 n PRO 115 Cb 0.57 -3.02 -0.15 0.00 -0.04 0.00 0.00 33.50 30.86 1jk8 n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jk8 s VAL 116 N 5.43 -0.26 0.07 0.52 1.01 -1.26 -5.11 120.40 120.79 1jk8 s VAL 116 Ca 0.58 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.49 1jk8 s VAL 116 Cb 0.13 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1jk8 s VAL 116 CO 0.11 -0.07 0.34 0.54 0.00 0.00 0.00 175.10 176.02 1jk8 s VAL 117 N 2.28 0.08 -0.24 2.92 0.11 -1.26 -4.69 120.40 119.60 1jk8 s VAL 117 Ca 0.04 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1jk8 s VAL 117 Cb -0.14 -1.03 0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1jk8 s VAL 117 CO -0.09 -0.36 -0.05 0.20 -3.33 0.00 0.00 175.10 171.47 1jk8 s ASN 118 N -2.29 3.95 -0.27 3.54 -0.87 -0.01 -4.97 114.94 114.02 1jk8 s ASN 118 Ca -0.02 -1.24 -0.01 0.00 -1.57 0.00 0.00 52.86 50.02 1jk8 s ASN 118 Cb 0.00 -1.23 0.04 0.00 -0.02 0.00 0.00 41.25 40.05 1jk8 s ASN 118 CO -0.06 -0.24 -0.04 -0.63 -2.57 0.00 0.00 177.10 173.56 1jk8 s ILE 119 N 1.35 2.77 0.19 0.60 1.01 -1.26 -0.43 121.20 125.43 1jk8 s ILE 119 Ca -0.06 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.30 1jk8 s ILE 119 Cb -0.19 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1jk8 s ILE 119 CO -0.06 0.01 -0.04 0.42 0.00 0.00 0.00 174.94 175.27 1jk8 s THR 120 N 1.24 1.04 0.17 2.92 -4.23 -0.48 -4.98 115.64 111.31 1jk8 s THR 120 Ca -0.04 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1jk8 s THR 120 Cb -0.19 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1jk8 s THR 120 CO -0.03 -0.50 -0.08 0.26 -0.54 0.00 0.00 174.62 173.73 1jk8 s TRP 121 N -3.42 2.68 -0.05 3.99 0.52 -1.26 0.49 118.94 121.89 1jk8 s TRP 121 Ca 0.24 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.20 1jk8 s TRP 121 Cb 0.05 -1.32 -0.00 0.00 -1.15 0.00 0.00 33.47 31.04 1jk8 s TRP 121 CO 0.05 0.50 -0.19 -0.51 0.02 0.00 0.00 176.95 176.82 1jk8 s LEU 122 N -2.74 1.94 -0.28 2.99 1.43 -0.51 -0.90 118.68 120.62 1jk8 s LEU 122 Ca 0.25 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1jk8 s LEU 122 Cb -0.09 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.13 1jk8 s LEU 122 CO 0.15 0.17 -0.08 -0.55 0.23 0.00 0.00 176.35 176.28 1jk8 s SER 123 N 0.03 4.54 -1.36 2.29 0.15 0.10 -2.35 113.70 117.10 1jk8 s SER 123 Ca -0.05 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.07 1jk8 s SER 123 Cb -0.12 -1.58 0.01 0.00 -1.71 0.00 0.00 66.02 62.63 1jk8 s SER 123 CO 0.03 -0.23 0.69 0.59 1.20 0.00 0.00 173.24 175.52 1jk8 n ASN 124 N 4.42 -1.50 0.00 5.45 3.02 -0.48 -1.34 115.26 124.83 1jk8 n ASN 124 Ca -0.11 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1jk8 n ASN 124 Cb 0.42 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 1jk8 n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jk8 n GLY 125 N -1.66 1.20 3.70 7.41 0.00 -1.26 -5.01 105.19 109.58 1jk8 n GLY 125 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1jk8 n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jk8 s HIS 126 N -3.18 3.14 0.33 1.61 3.76 -0.45 -5.04 115.29 115.46 1jk8 s HIS 126 Ca 0.00 0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 54.76 1jk8 s HIS 126 Cb 0.00 -1.72 -0.11 0.00 1.11 0.00 0.00 32.58 31.86 1jk8 s HIS 126 CO 0.00 0.48 1.53 -1.12 -0.85 0.00 0.00 174.74 174.79 1jk8 s SER 127 N -1.42 6.38 -0.14 1.40 0.01 -1.26 0.02 113.70 118.69 1jk8 s SER 127 Ca 0.19 2.98 0.01 0.00 1.31 0.00 0.00 55.95 60.44 1jk8 s SER 127 Cb -0.12 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1jk8 s SER 127 CO 0.09 -0.88 -0.17 -0.69 0.41 0.00 0.00 173.24 172.00 1jk8 s VAL 128 N -0.55 1.73 -0.15 3.43 1.01 -0.07 -4.80 120.40 121.00 1jk8 s VAL 128 Ca 0.58 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1jk8 s VAL 128 Cb -0.47 -1.58 -0.11 0.00 0.00 0.00 0.00 36.38 34.21 1jk8 s VAL 128 CO 0.55 0.49 -0.10 1.07 0.00 0.00 0.00 175.10 177.10 1jk8 n THR 129 N 4.50 0.90 -2.19 3.92 5.66 -1.26 -4.19 114.28 121.62 1jk8 n THR 129 Ca -0.19 -0.39 -0.40 0.00 -3.05 0.00 0.00 64.05 60.03 1jk8 n THR 129 Cb 0.51 -0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 68.28 1jk8 n THR 129 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1jk8 s GLU 130 N -2.32 4.25 0.00 1.09 0.41 -1.26 -2.88 118.70 118.00 1jk8 s GLU 130 Ca -0.18 2.07 0.00 0.00 -0.41 0.00 0.00 54.97 56.45 1jk8 s GLU 130 Cb 0.05 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 1jk8 s GLU 130 CO 0.40 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.35 1jk8 n GLY 131 N 0.79 0.36 3.86 -1.39 0.00 -1.26 -4.80 105.19 102.75 1jk8 n GLY 131 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1jk8 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jk8 s VAL 132 N -1.86 4.94 0.28 1.61 1.01 -1.14 -1.63 120.40 123.61 1jk8 s VAL 132 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 1jk8 s VAL 132 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1jk8 s VAL 132 CO 0.00 0.21 0.69 -0.55 0.00 0.00 0.00 175.10 175.45 1jk8 s SER 133 N -1.82 -0.22 -0.02 3.32 0.15 0.11 -4.96 113.70 110.26 1jk8 s SER 133 Ca 0.38 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 56.05 1jk8 s SER 133 Cb -0.14 0.72 0.08 0.00 -1.71 0.00 0.00 66.02 64.97 1jk8 s SER 133 CO 0.19 -1.34 0.73 -1.83 1.20 0.00 0.00 173.24 172.20 1jk8 s GLU 134 N -3.85 1.01 0.97 5.44 -1.05 -1.26 0.65 118.70 120.61 1jk8 s GLU 134 Ca 0.13 0.05 -0.16 0.00 -0.15 0.00 0.00 54.97 54.84 1jk8 s GLU 134 Cb -0.05 0.47 0.19 0.00 -0.44 0.00 0.00 34.13 34.30 1jk8 s GLU 134 CO 0.08 -0.36 1.27 0.95 0.95 0.00 0.00 175.26 178.15 1jk8 s THR 135 N -1.86 1.95 0.00 1.83 -4.23 0.26 -5.00 115.64 108.59 1jk8 s THR 135 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1jk8 s THR 135 Cb -0.00 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1jk8 s THR 135 CO 0.02 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.90 1jk8 n SER 136 N -3.84 0.00 -4.65 3.99 7.64 -1.26 -4.66 113.62 110.84 1jk8 n SER 136 Ca 0.14 -0.85 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 1jk8 n SER 136 Cb 0.60 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1jk8 n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jk8 s PHE 137 N -0.39 3.33 0.05 1.43 0.08 -1.26 -4.58 117.98 116.64 1jk8 s PHE 137 Ca 0.00 1.23 -0.16 0.00 0.12 0.00 0.00 56.93 58.12 1jk8 s PHE 137 Cb 0.00 -3.10 -0.06 0.00 -0.57 0.00 0.00 43.02 39.28 1jk8 s PHE 137 CO 0.00 -0.41 0.48 -0.51 -0.10 0.00 0.00 175.22 174.68 1jk8 s LEU 138 N 2.88 4.47 0.76 -0.37 2.01 0.15 -4.90 118.68 123.68 1jk8 s LEU 138 Ca 0.37 1.07 -0.11 0.00 0.01 0.00 0.00 54.13 55.47 1jk8 s LEU 138 Cb -0.15 -2.80 0.05 0.00 0.01 0.00 0.00 46.19 43.30 1jk8 s LEU 138 CO 0.07 0.27 1.09 -0.94 1.01 0.00 0.00 176.35 177.86 1jk8 s SER 139 N -1.20 4.83 0.01 2.29 1.04 -1.26 -1.50 113.70 117.90 1jk8 s SER 139 Ca 0.28 1.31 0.01 0.00 0.48 0.00 0.00 55.95 58.02 1jk8 s SER 139 Cb -0.17 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1jk8 s SER 139 CO 0.16 -1.76 -0.02 -0.54 0.98 0.00 0.00 173.24 172.06 1jk8 s LYS 140 N -5.18 0.19 0.62 4.02 -0.14 -0.94 -4.79 119.74 113.52 1jk8 s LYS 140 Ca 0.60 -0.20 0.32 0.00 -1.36 0.00 0.00 55.97 55.32 1jk8 s LYS 140 Cb -0.14 -0.10 1.78 0.00 -1.68 0.00 0.00 37.83 37.69 1jk8 s LYS 140 CO 0.54 0.02 2.11 0.66 -0.76 0.00 0.00 175.35 177.92 1jk8 h SER 141 N 5.74 0.00 -0.03 2.83 4.64 -1.99 0.33 113.55 125.07 1jk8 h SER 141 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1jk8 h SER 141 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1jk8 h SER 141 CO 0.48 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.54 1jk8 n ASP 142 N -3.50 0.79 0.00 4.97 5.75 -1.26 -4.91 116.55 118.39 1jk8 n ASP 142 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1jk8 n ASP 142 Cb 0.30 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1jk8 n ASP 142 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1jk8 n HIS 143 N -0.35 0.00 -2.69 2.11 8.25 0.12 -5.04 115.22 117.62 1jk8 n HIS 143 Ca 0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1jk8 n HIS 143 Cb 0.22 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.38 1jk8 n HIS 143 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jk8 n SER 144 N 0.00 0.83 -4.15 0.41 3.41 -1.26 -4.88 113.62 107.99 1jk8 n SER 144 Ca 0.00 -1.65 -0.21 0.00 -0.26 0.00 0.00 58.87 56.75 1jk8 n SER 144 Cb 0.00 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 63.59 1jk8 n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jk8 s PHE 145 N -1.12 1.72 -0.06 7.33 0.40 -0.01 -2.20 117.98 124.04 1jk8 s PHE 145 Ca 0.31 -1.24 -0.09 0.00 -0.60 0.00 0.00 56.93 55.31 1jk8 s PHE 145 Cb -0.02 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1jk8 s PHE 145 CO 0.20 -0.33 0.22 -0.59 0.70 0.00 0.00 175.22 175.43 1jk8 s PHE 146 N -3.45 -0.18 0.02 0.36 -0.12 -0.56 -0.18 117.98 113.88 1jk8 s PHE 146 Ca 0.33 0.40 0.03 0.00 -0.05 0.00 0.00 56.93 57.63 1jk8 s PHE 146 Cb 0.05 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1jk8 s PHE 146 CO 0.16 -0.20 -0.09 0.21 -0.05 0.00 0.00 175.22 175.25 1jk8 s LYS 147 N -0.45 0.63 -0.12 1.99 2.20 -0.73 -0.68 119.74 122.58 1jk8 s LYS 147 Ca -0.05 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1jk8 s LYS 147 Cb -0.04 -0.55 0.00 0.00 -1.51 0.00 0.00 37.83 35.73 1jk8 s LYS 147 CO 0.01 0.14 -0.22 0.42 -0.36 0.00 0.00 175.35 175.34 1jk8 s ILE 148 N -0.74 2.12 0.00 5.43 1.01 -1.26 -1.13 121.20 126.63 1jk8 s ILE 148 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1jk8 s ILE 148 Cb -0.06 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1jk8 s ILE 148 CO 0.00 0.55 -0.01 -0.55 0.00 0.00 0.00 174.94 174.93 1jk8 s SER 149 N 0.61 5.01 0.07 3.58 0.15 -0.05 -0.58 113.70 122.49 1jk8 s SER 149 Ca -0.12 -0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.59 1jk8 s SER 149 Cb -0.17 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.84 1jk8 s SER 149 CO 0.03 0.28 -0.26 -0.31 1.20 0.00 0.00 173.24 174.17 1jk8 s TYR 150 N -1.07 2.32 -0.21 3.44 2.02 0.21 -0.95 117.35 123.10 1jk8 s TYR 150 Ca 0.19 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1jk8 s TYR 150 Cb -0.11 -1.35 0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1jk8 s TYR 150 CO 0.10 0.19 0.10 -1.17 -1.57 0.00 0.00 175.55 173.19 1jk8 s LEU 151 N -1.47 0.56 0.35 -1.29 2.96 -0.92 -0.71 118.68 118.16 1jk8 s LEU 151 Ca 0.12 -0.87 -0.27 0.00 -0.22 0.00 0.00 54.13 52.90 1jk8 s LEU 151 Cb -0.10 -0.33 -0.09 0.00 0.50 0.00 0.00 46.19 46.17 1jk8 s LEU 151 CO 0.03 -0.37 1.11 0.42 -1.32 0.00 0.00 176.35 176.22 1jk8 s THR 152 N 2.08 3.43 0.18 3.68 -4.23 -0.65 -0.46 115.64 119.67 1jk8 s THR 152 Ca 0.04 1.26 -0.21 0.00 -1.18 0.00 0.00 61.69 61.60 1jk8 s THR 152 Cb -0.16 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 69.99 1jk8 s THR 152 CO -0.18 0.17 0.58 0.72 -0.54 0.00 0.00 174.62 175.37 1jk8 s PHE 153 N -1.38 -0.36 -0.38 3.99 -0.71 -0.45 -4.88 117.98 113.79 1jk8 s PHE 153 Ca 0.52 0.08 -0.10 0.00 -1.04 0.00 0.00 56.93 56.39 1jk8 s PHE 153 Cb -0.29 0.51 0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1jk8 s PHE 153 CO 0.37 -0.90 0.20 -1.17 -1.34 0.00 0.00 175.22 172.38 1jk8 s LEU 154 N -2.81 4.77 -0.08 -1.99 2.96 -1.26 -0.69 118.68 119.58 1jk8 s LEU 154 Ca 0.04 -1.15 -0.36 0.00 -0.22 0.00 0.00 54.13 52.44 1jk8 s LEU 154 Cb -0.01 -1.99 -0.14 0.00 0.50 0.00 0.00 46.19 44.55 1jk8 s LEU 154 CO -0.08 -0.42 1.72 -2.65 -1.32 0.00 0.00 176.35 173.61 1jk8 n PRO 155 N 4.95 1.75 -3.91 0.98 -0.02 -1.26 -4.89 135.00 132.60 1jk8 n PRO 155 Ca -0.11 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1jk8 n PRO 155 Cb 0.45 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 1jk8 n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jk8 s SER 156 N 2.94 0.08 0.51 2.55 0.15 -1.26 -2.39 113.70 116.28 1jk8 s SER 156 Ca 0.91 -0.19 0.30 0.00 0.70 0.00 0.00 55.95 57.67 1jk8 s SER 156 Cb -0.83 0.08 1.14 0.00 -1.71 0.00 0.00 66.02 64.70 1jk8 s SER 156 CO 0.53 -0.15 1.90 -2.24 1.20 0.00 0.00 173.24 174.48 1jk8 h ASP 157 N 5.40 0.00 -0.66 5.45 -0.00 -1.95 -2.92 116.42 121.75 1jk8 h ASP 157 Ca -0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.65 1jk8 h ASP 157 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.47 1jk8 h ASP 157 CO 0.45 0.06 0.14 -0.67 -0.00 0.00 0.00 179.24 179.22 1jk8 n ASP 158 N -3.17 5.33 -3.75 4.15 2.03 -1.26 -4.91 116.55 114.97 1jk8 n ASP 158 Ca 0.01 -3.08 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 1jk8 n ASP 158 Cb 0.36 -0.72 -0.14 0.00 -0.72 0.00 0.00 41.12 39.90 1jk8 n ASP 158 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1jk8 s GLU 159 N -2.89 0.11 0.29 -0.67 2.12 -1.10 -5.00 118.70 111.56 1jk8 s GLU 159 Ca 0.55 0.38 0.05 0.00 0.36 0.00 0.00 54.97 56.31 1jk8 s GLU 159 Cb 0.43 -0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.61 1jk8 s GLU 159 CO 0.15 -0.15 -0.00 0.96 -0.54 0.00 0.00 175.26 175.67 1jk8 s ILE 160 N 1.08 1.36 0.19 -3.70 -4.36 -1.26 -4.65 121.20 109.86 1jk8 s ILE 160 Ca -0.08 -2.06 -0.00 0.00 -0.26 0.00 0.00 60.65 58.25 1jk8 s ILE 160 Cb -0.10 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.00 1jk8 s ILE 160 CO -0.06 -0.19 0.08 -0.31 0.24 0.00 0.00 174.94 174.70 1jk8 s TYR 161 N -3.19 1.17 -0.13 1.37 1.51 0.82 -1.39 117.35 117.51 1jk8 s TYR 161 Ca 0.32 -1.24 -0.10 0.00 -1.01 0.00 0.00 57.07 55.04 1jk8 s TYR 161 Cb 0.06 -0.63 0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1jk8 s TYR 161 CO 0.13 -0.47 0.32 -0.51 -1.11 0.00 0.00 175.55 173.91 1jk8 s ASP 162 N -3.16 -0.35 -0.31 2.29 1.01 -0.99 -0.15 116.67 115.01 1jk8 s ASP 162 Ca 0.32 0.66 -0.13 0.00 0.71 0.00 0.00 52.55 54.12 1jk8 s ASP 162 Cb 0.07 0.63 -0.03 0.00 1.01 0.00 0.00 42.92 44.60 1jk8 s ASP 162 CO 0.08 -0.13 0.26 0.00 0.21 0.00 0.00 175.17 175.59 1jk8 s LYS 164 N 1.83 3.70 -0.18 0.00 2.20 0.18 -2.47 119.74 125.00 1jk8 s LYS 164 Ca 0.08 -0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1jk8 s LYS 164 Cb -0.16 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.37 1jk8 s LYS 164 CO 0.11 -0.48 -0.05 0.08 -0.36 0.00 0.00 175.35 174.65 1jk8 s VAL 165 N 2.11 3.60 -0.17 4.02 1.01 -0.31 -1.39 120.40 129.26 1jk8 s VAL 165 Ca 0.14 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1jk8 s VAL 165 Cb -0.16 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1jk8 s VAL 165 CO 0.12 0.47 -0.18 -1.61 0.00 0.00 0.00 175.10 173.89 1jk8 s GLU 166 N 0.80 3.06 -0.16 2.72 2.02 0.42 -1.15 118.70 126.40 1jk8 s GLU 166 Ca -0.02 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 54.02 1jk8 s GLU 166 Cb -0.15 -2.59 0.04 0.00 0.10 0.00 0.00 34.13 31.53 1jk8 s GLU 166 CO 0.02 -0.15 0.44 -1.58 0.02 0.00 0.00 175.26 174.00 1jk8 s HIS 167 N 1.17 -0.49 -0.32 1.61 2.46 -1.26 -0.83 115.29 117.62 1jk8 s HIS 167 Ca 0.02 1.18 0.14 0.00 0.47 0.00 0.00 55.06 56.87 1jk8 s HIS 167 Cb -0.14 0.17 0.74 0.00 -0.13 0.00 0.00 32.58 33.23 1jk8 s HIS 167 CO -0.09 -0.24 1.37 0.91 -2.47 0.00 0.00 174.74 174.23 1jk8 n TRP 168 N 2.96 0.46 1.47 3.88 8.01 -1.26 -0.25 117.44 132.70 1jk8 n TRP 168 Ca -0.14 0.24 0.09 0.00 -1.31 0.00 0.00 57.50 56.38 1jk8 n TRP 168 Cb 0.57 -0.82 0.37 0.00 -2.01 0.00 0.00 31.31 29.42 1jk8 n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jk8 n GLY 169 N -1.33 -0.14 3.25 6.99 0.00 -1.26 -4.79 105.19 107.92 1jk8 n GLY 169 Ca -0.01 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1jk8 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jk8 s LEU 170 N -1.45 2.22 0.55 0.99 1.43 0.65 -4.37 118.68 118.69 1jk8 s LEU 170 Ca 0.27 -0.51 0.27 0.00 -1.03 0.00 0.00 54.13 53.13 1jk8 s LEU 170 Cb 0.14 -1.45 1.45 0.00 0.03 0.00 0.00 46.19 46.35 1jk8 s LEU 170 CO 0.21 0.16 1.98 0.44 0.23 0.00 0.00 176.35 179.38 1jk8 h ASP 171 N 6.71 0.00 -4.98 2.29 5.19 -1.86 -3.44 116.42 120.32 1jk8 h ASP 171 Ca -0.20 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.28 1jk8 h ASP 171 Cb 1.23 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.64 1jk8 h ASP 171 CO 0.49 0.00 0.35 -1.83 -3.12 0.00 0.00 179.24 175.12 1jk8 s GLU 172 N -4.91 1.26 0.22 3.56 -1.05 -1.26 -5.14 118.70 111.37 1jk8 s GLU 172 Ca -0.05 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 53.88 1jk8 s GLU 172 Cb 0.19 0.50 -0.15 0.00 -0.44 0.00 0.00 34.13 34.22 1jk8 s GLU 172 CO 0.69 -0.57 1.01 -2.30 0.95 0.00 0.00 175.26 175.04 1jk8 n PRO 173 N -0.38 1.03 -3.87 -4.83 -0.02 -1.26 -4.93 135.00 120.73 1jk8 n PRO 173 Ca -0.10 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 1jk8 n PRO 173 Cb 0.62 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.29 1jk8 n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jk8 s LEU 174 N 0.90 4.33 -0.17 2.45 0.20 -0.30 -4.95 118.68 121.15 1jk8 s LEU 174 Ca 0.67 0.42 0.00 0.00 0.69 0.00 0.00 54.13 55.91 1jk8 s LEU 174 Cb -0.82 -2.07 0.03 0.00 -0.43 0.00 0.00 46.19 42.91 1jk8 s LEU 174 CO 0.56 0.37 -0.11 -0.76 -0.29 0.00 0.00 176.35 176.12 1jk8 s LEU 175 N -0.79 1.83 -0.42 -0.68 2.01 -1.26 -1.17 118.68 118.21 1jk8 s LEU 175 Ca 0.14 -0.64 -0.06 0.00 0.01 0.00 0.00 54.13 53.57 1jk8 s LEU 175 Cb -0.12 -1.12 0.10 0.00 0.01 0.00 0.00 46.19 45.06 1jk8 s LEU 175 CO 0.03 -0.12 0.24 -0.54 1.01 0.00 0.00 176.35 176.98 1jk8 s LYS 176 N 1.50 2.35 0.64 1.70 -0.14 -1.03 -4.91 119.74 119.85 1jk8 s LYS 176 Ca 0.02 -1.65 -0.16 0.00 -1.36 0.00 0.00 55.97 52.82 1jk8 s LYS 176 Cb -0.14 -3.71 -0.01 0.00 -1.68 0.00 0.00 37.83 32.29 1jk8 s LYS 176 CO -0.09 -1.03 1.14 -1.58 -0.76 0.00 0.00 175.35 173.02 1jk8 s HIS 177 N 1.30 2.52 -0.27 3.18 5.65 -1.26 -1.78 115.29 124.63 1jk8 s HIS 177 Ca 0.05 1.55 -0.23 0.00 0.25 0.00 0.00 55.06 56.69 1jk8 s HIS 177 Cb -0.24 -3.27 0.08 0.00 -1.18 0.00 0.00 32.58 27.98 1jk8 s HIS 177 CO -0.01 -1.86 0.75 -0.46 -0.65 0.00 0.00 174.74 172.52 1jk8 s TRP 178 N -2.10 -0.81 -0.14 3.88 -0.00 0.79 -4.92 118.94 115.64 1jk8 s TRP 178 Ca 0.70 1.87 -0.26 0.00 -0.00 0.00 0.00 56.10 58.41 1jk8 s TRP 178 Cb -0.23 0.36 0.06 0.00 -0.00 0.00 0.00 33.47 33.67 1jk8 s TRP 178 CO 0.38 -0.39 0.65 -1.83 -0.00 0.00 0.00 176.95 175.76 1jk8 s GLU 179 N 0.67 0.91 -0.51 5.86 -1.05 -1.26 -0.13 118.70 123.19 1jk8 s GLU 179 Ca -0.02 0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 55.17 1jk8 s GLU 179 Cb -0.05 0.43 -0.16 0.00 -0.44 0.00 0.00 34.13 33.92 1jk8 s GLU 179 CO -0.05 -0.21 1.55 -0.35 0.95 0.00 0.00 175.26 177.15 1jk8 n PRO 180 N 1.75 0.04 0.00 -4.83 -0.04 -1.26 -5.08 135.00 125.58 1jk8 n PRO 180 Ca -0.17 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1jk8 n PRO 180 Cb 0.56 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1jk8 n PRO 180 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85