#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm n SER 2 N 0.00 1.54 -4.72 1.61 7.64 -1.26 -4.90 113.62 113.54 1wjm n SER 2 Ca 0.00 1.03 -0.42 0.00 1.01 0.00 0.00 58.87 60.49 1wjm n SER 2 Cb 0.00 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.77 1wjm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wjm s SER 3 N -0.74 7.05 0.00 6.43 0.15 -1.26 -4.87 113.70 120.46 1wjm s SER 3 Ca 0.64 2.12 0.00 0.00 0.70 0.00 0.00 55.95 59.40 1wjm s SER 3 Cb -0.53 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.19 1wjm s SER 3 CO 0.56 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1wjm n GLY 4 N 2.99 3.90 3.30 9.45 0.00 -1.26 -5.03 105.19 118.55 1wjm n GLY 4 Ca 0.08 -1.44 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 1wjm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wjm s SER 5 N 0.00 6.29 0.17 1.61 0.01 -1.26 -4.97 113.70 115.55 1wjm s SER 5 Ca 0.00 -2.05 -0.30 0.00 1.31 0.00 0.00 55.95 54.91 1wjm s SER 5 Cb 0.00 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 1wjm s SER 5 CO 0.00 -0.76 1.20 -0.44 0.41 0.00 0.00 173.24 173.65 1wjm s SER 6 N 3.11 7.08 -0.38 2.44 0.01 -1.26 -5.00 113.70 119.69 1wjm s SER 6 Ca 0.07 2.21 -0.05 0.00 1.31 0.00 0.00 55.95 59.50 1wjm s SER 6 Cb -0.24 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.47 1wjm s SER 6 CO -0.01 -0.39 0.17 -0.83 0.41 0.00 0.00 173.24 172.60 1wjm s GLY 7 N 0.25 1.92 -0.26 3.44 0.00 -1.26 -4.83 107.32 106.58 1wjm s GLY 7 Ca 0.54 -2.19 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1wjm s GLY 7 CO 0.36 0.92 0.01 -0.54 0.00 0.00 0.00 173.10 173.85 1wjm s GLU 8 N 1.28 1.22 0.13 2.90 0.41 -1.26 -5.12 118.70 118.25 1wjm s GLU 8 Ca 0.03 -1.02 -0.01 0.00 -0.41 0.00 0.00 54.97 53.56 1wjm s GLU 8 Cb -0.22 -2.44 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 1wjm s GLU 8 CO -0.01 -0.74 0.31 -0.65 -0.49 0.00 0.00 175.26 173.68 1wjm s GLN 9 N 1.47 3.51 -0.21 1.61 -0.21 -1.26 -4.75 119.66 119.81 1wjm s GLN 9 Ca 0.01 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 1wjm s GLN 9 Cb -0.18 -2.93 0.08 0.00 1.00 0.00 0.00 33.01 30.97 1wjm s GLN 9 CO -0.11 0.51 0.50 1.41 -2.12 0.00 0.00 175.29 175.48 1wjm s MET 10 N -2.83 0.48 -0.07 2.91 1.75 -1.18 -5.00 119.30 115.35 1wjm s MET 10 Ca 0.37 1.00 -0.03 0.00 -1.25 0.00 0.00 55.69 55.79 1wjm s MET 10 Cb -0.12 0.16 0.04 0.00 2.84 0.00 0.00 34.83 37.75 1wjm s MET 10 CO 0.27 -0.18 0.15 -1.83 -0.65 0.00 0.00 175.02 172.78 1wjm s GLU 11 N 1.81 0.05 -0.03 4.11 -1.05 -1.26 0.19 118.70 122.52 1wjm s GLU 11 Ca -0.08 0.46 -0.30 0.00 -0.15 0.00 0.00 54.97 54.90 1wjm s GLU 11 Cb -0.08 -0.24 0.11 0.00 -0.44 0.00 0.00 34.13 33.48 1wjm s GLU 11 CO -0.15 -0.24 0.98 0.20 0.95 0.00 0.00 175.26 177.00 1wjm s GLY 12 N 1.73 -0.40 0.13 -3.83 0.00 -0.67 -5.01 107.32 99.27 1wjm s GLY 12 Ca -0.03 1.04 -0.31 0.00 0.00 0.00 0.00 44.72 45.42 1wjm s GLY 12 CO -0.06 0.34 1.82 1.03 0.00 0.00 0.00 173.10 176.23 1wjm n MET 13 N -0.24 2.76 -3.88 2.90 2.81 -1.26 -2.21 117.12 118.00 1wjm n MET 13 Ca -0.07 1.00 -0.10 0.00 -1.81 0.00 0.00 57.70 56.73 1wjm n MET 13 Cb 0.61 -2.89 -0.09 0.00 -0.71 0.00 0.00 33.22 30.14 1wjm n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wjm s LEU 14 N 2.58 1.54 -0.70 4.03 1.02 -1.12 -4.69 118.68 121.32 1wjm s LEU 14 Ca 0.82 -0.43 -0.17 0.00 0.02 0.00 0.00 54.13 54.37 1wjm s LEU 14 Cb -0.49 0.82 0.15 0.00 0.02 0.00 0.00 46.19 46.68 1wjm s LEU 14 CO 0.37 -0.53 0.75 0.00 0.02 0.00 0.00 176.35 176.96 1wjm s ARG 16 N 1.72 4.13 -0.26 0.00 3.52 -0.96 -2.78 118.95 124.32 1wjm s ARG 16 Ca 0.15 0.69 0.02 0.00 -0.13 0.00 0.00 55.73 56.46 1wjm s ARG 16 Cb -0.18 -3.65 0.07 0.00 -1.56 0.00 0.00 34.95 29.63 1wjm s ARG 16 CO -0.01 -0.45 -0.05 0.21 -0.81 0.00 0.00 175.30 174.18 1wjm s LYS 17 N 2.63 1.72 -0.31 5.12 2.20 -0.06 -3.23 119.74 127.81 1wjm s LYS 17 Ca 0.29 -1.18 -0.29 0.00 -0.36 0.00 0.00 55.97 54.43 1wjm s LYS 17 Cb -0.15 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1wjm s LYS 17 CO 0.08 -0.65 1.66 -1.14 -0.36 0.00 0.00 175.35 174.94 1wjm s GLN 18 N 1.28 3.53 -0.15 4.03 0.74 -1.26 -1.96 119.66 125.87 1wjm s GLN 18 Ca -0.04 1.40 -0.18 0.00 0.05 0.00 0.00 55.36 56.59 1wjm s GLN 18 Cb -0.19 -4.11 -0.23 0.00 1.10 0.00 0.00 33.01 29.58 1wjm s GLN 18 CO -0.07 -1.61 0.39 0.93 -0.55 0.00 0.00 175.29 174.38 1wjm h GLU 19 N 11.72 0.13 -4.12 1.67 4.39 -1.58 -3.36 114.58 123.43 1wjm h GLU 19 Ca -0.32 -0.22 -0.27 0.00 0.34 0.00 0.00 59.36 58.89 1wjm h GLU 19 Cb 1.15 0.08 -0.27 0.00 -0.10 0.00 0.00 28.75 29.61 1wjm h GLU 19 CO 1.03 1.10 -0.74 -1.64 -1.16 0.00 0.00 179.01 177.61 1wjm s MET 20 N -2.42 0.29 -0.00 2.33 -1.94 -1.12 -3.04 119.30 113.39 1wjm s MET 20 Ca -0.24 -0.23 0.21 0.00 -1.71 0.00 0.00 55.69 53.72 1wjm s MET 20 Cb 0.05 -0.22 -0.24 0.00 2.01 0.00 0.00 34.83 36.43 1wjm s MET 20 CO 0.69 0.05 0.87 -1.91 -0.01 0.00 0.00 175.02 174.71 1wjm n GLU 21 N 2.71 0.08 -3.77 2.03 2.13 -0.61 -1.81 120.64 121.40 1wjm n GLU 21 Ca -0.15 -0.01 0.04 0.00 0.66 0.00 0.00 57.16 57.70 1wjm n GLU 21 Cb 0.58 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm s ALA 22 N -3.02 -2.66 -0.15 4.31 0.00 -0.32 -4.48 121.76 115.43 1wjm s ALA 22 Ca 0.07 0.61 -0.36 0.00 0.00 0.00 0.00 51.96 52.28 1wjm s ALA 22 Cb 0.16 0.56 -0.13 0.00 0.00 0.00 0.00 23.12 23.71 1wjm s ALA 22 CO 0.87 -1.12 1.86 1.19 0.00 0.00 0.00 175.76 178.56 1wjm n PHE 23 N -0.72 2.24 -1.32 0.00 3.72 -1.25 0.55 117.46 120.68 1wjm n PHE 23 Ca -0.02 0.15 -0.11 0.00 -0.05 0.00 0.00 57.45 57.42 1wjm n PHE 23 Cb 0.61 -2.61 -0.05 0.00 -0.94 0.00 0.00 39.48 36.50 1wjm n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wjm n GLY 24 N 4.42 1.07 3.42 1.37 0.00 -1.26 -4.93 105.19 109.27 1wjm n GLY 24 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1wjm n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 25 N -2.94 3.57 0.28 1.61 2.36 0.19 -5.09 119.74 119.72 1wjm s LYS 25 Ca 0.00 -0.54 -0.14 0.00 -2.55 0.00 0.00 55.97 52.73 1wjm s LYS 25 Cb 0.00 -3.05 -0.08 0.00 -1.05 0.00 0.00 37.83 33.64 1wjm s LYS 25 CO 0.00 -0.02 0.68 -1.59 1.55 0.00 0.00 175.35 175.97 1wjm s LYS 26 N 1.07 3.98 0.64 4.03 0.00 -1.26 -1.57 119.74 126.63 1wjm s LYS 26 Ca 0.02 0.59 -0.17 0.00 0.00 0.00 0.00 55.97 56.42 1wjm s LYS 26 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 37.83 35.12 1wjm s LYS 26 CO 0.01 0.23 1.15 0.00 0.00 0.00 0.00 175.35 176.75 1wjm s ALA 27 N -1.87 2.45 0.00 0.59 0.00 -1.17 -4.38 121.76 117.39 1wjm s ALA 27 Ca 0.51 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1wjm s ALA 27 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wjm s ALA 27 CO 0.19 -1.28 0.47 0.00 0.00 0.00 0.00 175.76 175.14 1wjm n ALA 28 N -2.12 0.00 -0.07 0.00 0.00 -1.26 -4.00 120.51 113.06 1wjm n ALA 28 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1wjm n ALA 28 Cb 0.51 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 1wjm n ALA 28 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1wjm h ASN 29 N 0.00 0.00 -3.31 0.00 -1.07 -1.93 -3.49 115.58 105.78 1wjm h ASN 29 Ca 0.00 -0.54 -0.13 0.00 0.07 0.00 0.00 56.30 55.69 1wjm h ASN 29 Cb 0.00 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 36.31 1wjm h ASN 29 CO 0.00 0.94 -0.29 -1.14 0.07 0.00 0.00 177.43 177.01 1wjm n ARG 30 N -4.62 -2.70 -4.55 4.14 0.63 -1.26 -5.06 116.66 103.24 1wjm n ARG 30 Ca -0.11 0.33 -0.26 0.00 -0.92 0.00 0.00 57.85 56.88 1wjm n ARG 30 Cb 0.37 -3.82 -0.11 0.00 0.45 0.00 0.00 32.46 29.36 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wjm s SER 31 N -3.45 3.67 -0.06 6.15 1.04 -1.26 -4.89 113.70 114.90 1wjm s SER 31 Ca 0.05 -1.25 -0.27 0.00 0.48 0.00 0.00 55.95 54.96 1wjm s SER 31 Cb -0.02 -0.34 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1wjm s SER 31 CO 0.29 -0.29 0.88 0.26 0.98 0.00 0.00 173.24 175.36 1wjm s TRP 32 N -2.68 3.58 -0.05 5.02 0.52 -1.26 -4.24 118.94 119.83 1wjm s TRP 32 Ca 0.33 1.48 -0.03 0.00 0.02 0.00 0.00 56.10 57.90 1wjm s TRP 32 Cb 0.05 -3.02 0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1wjm s TRP 32 CO 0.17 -0.04 0.12 -0.65 0.02 0.00 0.00 176.95 176.56 1wjm s GLN 33 N 1.25 0.08 -0.48 4.98 -0.21 -1.20 -5.04 119.66 119.05 1wjm s GLN 33 Ca 0.45 0.27 -0.27 0.00 0.02 0.00 0.00 55.36 55.83 1wjm s GLN 33 Cb -0.19 -0.11 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 1wjm s GLN 33 CO 0.21 -0.11 1.97 0.54 -2.12 0.00 0.00 175.29 175.78 1wjm s ASN 34 N 0.78 5.31 -0.09 5.90 4.22 -1.26 -2.27 114.94 127.52 1wjm s ASN 34 Ca -0.06 0.86 0.02 0.00 -2.14 0.00 0.00 52.86 51.55 1wjm s ASN 34 Cb -0.08 -2.52 0.01 0.00 1.28 0.00 0.00 41.25 39.94 1wjm s ASN 34 CO -0.03 -2.25 -0.15 -0.69 -2.04 0.00 0.00 177.10 171.93 1wjm s VAL 35 N 8.97 1.45 -0.30 3.54 1.01 -0.01 -4.84 120.40 130.21 1wjm s VAL 35 Ca 0.79 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1wjm s VAL 35 Cb -0.18 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1wjm s VAL 35 CO 0.26 0.43 1.36 -0.47 0.00 0.00 0.00 175.10 176.69 1wjm s TYR 36 N 0.82 2.56 0.09 5.22 5.04 0.45 -2.79 117.35 128.74 1wjm s TYR 36 Ca -0.10 0.79 -0.30 0.00 -2.44 0.00 0.00 57.07 55.02 1wjm s TYR 36 Cb -0.16 -3.97 -0.05 0.00 0.35 0.00 0.00 41.96 38.13 1wjm s TYR 36 CO 0.01 -1.93 1.02 0.00 -1.34 0.00 0.00 175.55 173.32 1wjm s VAL 38 N 0.37 0.79 -0.10 0.00 1.01 0.16 -1.66 120.40 120.96 1wjm s VAL 38 Ca 0.50 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1wjm s VAL 38 Cb -0.25 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1wjm s VAL 38 CO 0.30 -0.40 0.29 -0.22 0.00 0.00 0.00 175.10 175.07 1wjm s LEU 39 N 1.70 4.35 -0.28 3.92 2.96 0.13 0.19 118.68 131.65 1wjm s LEU 39 Ca 0.03 0.64 -0.24 0.00 -0.22 0.00 0.00 54.13 54.34 1wjm s LEU 39 Cb -0.17 -2.37 0.13 0.00 0.50 0.00 0.00 46.19 44.28 1wjm s LEU 39 CO -0.16 0.24 1.07 -0.60 -1.32 0.00 0.00 176.35 175.58 1wjm s ARG 40 N -0.37 0.45 -1.04 1.98 6.06 -0.30 -3.10 118.95 122.63 1wjm s ARG 40 Ca 0.18 0.55 0.00 0.00 -2.50 0.00 0.00 55.73 53.97 1wjm s ARG 40 Cb -0.14 0.21 0.00 0.00 0.06 0.00 0.00 34.95 35.09 1wjm s ARG 40 CO 0.07 -0.06 0.00 0.54 -2.50 0.00 0.00 175.30 173.35 1wjm n ARG 41 N 2.25 -2.14 -2.82 5.12 1.74 -1.26 -0.27 116.66 119.28 1wjm n ARG 41 Ca -0.13 0.59 -0.09 0.00 -0.77 0.00 0.00 57.85 57.45 1wjm n ARG 41 Cb 0.56 -5.14 0.04 0.00 -1.02 0.00 0.00 32.46 26.90 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wjm n GLY 42 N -0.72 0.17 3.02 -0.13 0.00 -1.26 -4.72 105.19 101.54 1wjm n GLY 42 Ca -0.14 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1wjm n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wjm s SER 43 N -3.40 0.17 -0.42 1.61 1.04 0.63 -3.54 113.70 109.79 1wjm s SER 43 Ca 0.13 0.57 -0.22 0.00 0.48 0.00 0.00 55.95 56.91 1wjm s SER 43 Cb -0.06 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1wjm s SER 43 CO 0.34 -0.22 0.71 -0.22 0.98 0.00 0.00 173.24 174.83 1wjm s LEU 44 N 2.05 4.32 0.13 2.42 2.96 -0.74 -1.15 118.68 128.67 1wjm s LEU 44 Ca -0.02 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1wjm s LEU 44 Cb -0.11 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1wjm s LEU 44 CO -0.08 -0.79 0.25 -0.83 -1.32 0.00 0.00 176.35 173.58 1wjm s GLY 45 N 2.00 1.79 -0.09 7.98 0.00 0.51 0.01 107.32 119.52 1wjm s GLY 45 Ca 0.27 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1wjm s GLY 45 CO 0.19 -1.02 -0.17 -1.36 0.00 0.00 0.00 173.10 170.75 1wjm s PHE 46 N -1.70 2.67 0.10 1.90 0.08 -1.26 0.36 117.98 120.13 1wjm s PHE 46 Ca 0.34 -0.57 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 1wjm s PHE 46 Cb -0.11 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1wjm s PHE 46 CO 0.28 -0.13 0.14 0.71 -0.10 0.00 0.00 175.22 176.12 1wjm s TYR 47 N -0.06 0.36 0.02 0.36 1.51 -0.25 -3.51 117.35 115.78 1wjm s TYR 47 Ca -0.04 -0.80 -0.08 0.00 -1.01 0.00 0.00 57.07 55.13 1wjm s TYR 47 Cb -0.14 -0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1wjm s TYR 47 CO 0.04 -0.53 1.13 -0.22 -1.11 0.00 0.00 175.55 174.86 1wjm h LYS 48 N 2.82 -0.19 0.00 -0.62 1.63 -1.87 1.31 116.57 119.65 1wjm h LYS 48 Ca -0.34 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.36 1wjm h LYS 48 Cb 1.19 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.84 1wjm h LYS 48 CO 0.57 -0.13 -0.01 -0.25 -3.45 0.00 0.00 179.45 176.19 1wjm n ASP 49 N -3.10 -0.99 0.13 4.20 9.92 -1.26 -3.41 116.55 122.03 1wjm n ASP 49 Ca -0.02 -2.07 0.09 0.00 -0.53 0.00 0.00 54.79 52.26 1wjm n ASP 49 Cb 0.10 1.76 0.47 0.00 -0.64 0.00 0.00 41.12 42.81 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wjm n ALA 50 N -1.60 1.17 0.07 2.24 0.00 -1.26 -0.34 120.51 120.79 1wjm n ALA 50 Ca -0.09 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1wjm n ALA 50 Cb 0.35 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 1wjm n ALA 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wjm h LYS 51 N 0.00 0.05 0.00 0.00 1.79 -1.99 -3.08 116.57 113.33 1wjm h LYS 51 Ca 0.00 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1wjm h LYS 51 Cb 0.08 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1wjm h LYS 51 CO 0.00 1.04 -0.42 0.00 -1.08 0.00 0.00 179.45 178.99 1wjm h ALA 52 N 0.92 0.07 -0.95 3.86 0.00 -0.99 -3.07 119.26 119.10 1wjm h ALA 52 Ca -0.03 -0.55 0.21 0.00 0.00 0.00 0.00 54.91 54.54 1wjm h ALA 52 Cb 1.81 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 19.71 1wjm h ALA 52 CO 0.14 0.28 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 1wjm h ALA 53 N -0.59 0.82 -0.58 0.00 0.00 -1.23 1.66 119.26 119.34 1wjm h ALA 53 Ca -0.09 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1wjm h ALA 53 Cb 0.72 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1wjm h ALA 53 CO -0.05 -0.45 0.29 1.03 0.00 0.00 0.00 179.25 180.07 1wjm h SER 54 N 0.01 0.75 0.12 0.00 0.87 -1.68 0.16 113.55 113.78 1wjm h SER 54 Ca 0.50 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1wjm h SER 54 Cb 0.87 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1wjm h SER 54 CO -0.93 0.66 0.00 0.00 -0.53 0.00 0.00 176.83 176.02 1wjm n ALA 55 N -2.33 2.44 -3.17 6.23 0.00 0.44 -4.86 120.51 119.26 1wjm n ALA 55 Ca 0.04 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 1wjm n ALA 55 Cb 0.11 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.17 1wjm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wjm n GLY 56 N 0.71 -0.52 3.54 0.00 0.00 0.46 -4.96 105.19 104.42 1wjm n GLY 56 Ca 0.18 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1wjm n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wjm s VAL 57 N -3.18 4.80 0.13 1.61 1.01 -0.60 -4.98 120.40 119.19 1wjm s VAL 57 Ca 0.37 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1wjm s VAL 57 Cb -0.17 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1wjm s VAL 57 CO 0.45 0.33 1.14 -2.16 0.00 0.00 0.00 175.10 174.87 1wjm s PRO 58 N 1.38 4.52 0.06 2.72 0.04 -1.26 -4.30 135.00 138.16 1wjm s PRO 58 Ca 0.06 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1wjm s PRO 58 Cb -0.15 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 1wjm s PRO 58 CO 0.05 -0.07 1.27 -0.92 0.04 0.00 0.00 177.00 177.38 1wjm h TYR 59 N 5.79 -0.80 -0.78 0.56 3.20 -1.86 -3.12 116.97 119.97 1wjm h TYR 59 Ca -0.43 0.03 -0.55 0.00 3.14 0.00 0.00 58.73 60.92 1wjm h TYR 59 Cb 1.21 0.36 -0.43 0.00 1.54 0.00 0.00 36.73 39.42 1wjm h TYR 59 CO 0.64 -0.26 -0.82 0.72 -1.64 0.00 0.00 178.16 176.81 1wjm n HIS 60 N -3.97 2.77 -1.66 -3.82 8.25 -1.26 -4.88 115.22 110.65 1wjm n HIS 60 Ca -0.03 -2.25 -0.16 0.00 -0.26 0.00 0.00 57.72 55.03 1wjm n HIS 60 Cb 0.18 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 1wjm n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wjm n GLY 61 N -0.70 1.07 3.77 -1.41 0.00 -1.18 -4.92 105.19 101.82 1wjm n GLY 61 Ca 0.44 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 1wjm n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 62 N -3.68 4.38 0.85 1.61 2.02 -1.26 -5.05 118.70 117.57 1wjm s GLU 62 Ca 0.00 0.88 -0.13 0.00 0.02 0.00 0.00 54.97 55.74 1wjm s GLU 62 Cb 0.00 -3.32 0.11 0.00 0.10 0.00 0.00 34.13 31.01 1wjm s GLU 62 CO 0.00 0.41 1.21 0.14 0.02 0.00 0.00 175.26 177.04 1wjm s VAL 63 N -0.40 2.00 0.38 2.63 -7.23 -1.26 -4.64 120.40 111.88 1wjm s VAL 63 Ca 0.33 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.26 1wjm s VAL 63 Cb -0.20 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.66 1wjm s VAL 63 CO 0.20 0.00 1.06 -2.16 -0.31 0.00 0.00 175.10 173.89 1wjm s PRO 64 N -5.64 4.25 -0.15 4.82 0.04 -1.26 -4.64 135.00 132.41 1wjm s PRO 64 Ca 0.65 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 1wjm s PRO 64 Cb -0.10 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1wjm s PRO 64 CO 0.50 -0.08 0.57 0.14 0.04 0.00 0.00 177.00 178.17 1wjm s VAL 65 N -1.56 5.10 0.00 -0.36 -7.23 0.10 -4.85 120.40 111.60 1wjm s VAL 65 Ca 0.55 1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 61.53 1wjm s VAL 65 Cb -0.24 -3.90 -0.06 0.00 0.56 0.00 0.00 36.38 32.74 1wjm s VAL 65 CO 0.30 0.22 1.45 -0.44 -0.31 0.00 0.00 175.10 176.32 1wjm s SER 66 N 0.94 6.80 -0.32 4.85 0.01 -1.26 -1.78 113.70 122.94 1wjm s SER 66 Ca 0.28 2.17 -0.02 0.00 1.31 0.00 0.00 55.95 59.69 1wjm s SER 66 Cb -0.16 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.65 1wjm s SER 66 CO 0.11 -0.76 2.29 0.18 0.41 0.00 0.00 173.24 175.47 1wjm n LEU 67 N 5.53 6.36 -4.65 2.44 4.77 -1.23 -4.80 117.00 125.41 1wjm n LEU 67 Ca 0.14 -3.45 -0.41 0.00 -0.03 0.00 0.00 56.01 52.26 1wjm n LEU 67 Cb 0.43 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 1wjm n LEU 67 CO 0.59 1.37 0.44 0.00 -1.33 0.00 0.00 177.39 178.46 1wjm s ALA 68 N -1.57 3.57 -2.07 -1.18 0.00 -1.26 -3.71 121.76 115.54 1wjm s ALA 68 Ca 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1wjm s ALA 68 Cb 0.27 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1wjm s ALA 68 CO -0.06 -0.66 0.00 0.54 0.00 0.00 0.00 175.76 175.58 1wjm n ARG 69 N 5.32 -1.51 -2.16 0.00 3.00 -1.26 -4.16 116.66 115.89 1wjm n ARG 69 Ca 0.00 1.15 -0.26 0.00 -0.01 0.00 0.00 57.85 58.73 1wjm n ARG 69 Cb 0.49 -5.60 0.08 0.00 0.00 0.00 0.00 32.46 27.43 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wjm s ALA 70 N -2.80 3.06 -0.01 7.54 0.00 -1.24 -4.24 121.76 124.07 1wjm s ALA 70 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1wjm s ALA 70 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1wjm s ALA 70 CO 0.00 -1.41 -0.13 1.14 0.00 0.00 0.00 175.76 175.36 1wjm s GLN 71 N -5.32 1.06 -0.18 0.00 -2.07 0.48 -4.97 119.66 108.66 1wjm s GLN 71 Ca 0.61 -0.45 -0.03 0.00 -1.82 0.00 0.00 55.36 53.67 1wjm s GLN 71 Cb -0.10 -1.01 0.06 0.00 -1.09 0.00 0.00 33.01 30.87 1wjm s GLN 71 CO 0.46 0.26 0.04 0.20 -1.32 0.00 0.00 175.29 174.93 1wjm s GLY 72 N -0.24 0.64 0.09 2.60 0.00 -1.26 0.23 107.32 109.38 1wjm s GLY 72 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1wjm s GLY 72 CO -0.00 1.45 -0.03 -0.45 0.00 0.00 0.00 173.10 174.08 1wjm s SER 73 N 1.90 0.78 0.53 1.64 0.15 -0.60 -4.99 113.70 113.11 1wjm s SER 73 Ca -0.00 -1.05 -0.21 0.00 0.70 0.00 0.00 55.95 55.38 1wjm s SER 73 Cb -0.17 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1wjm s SER 73 CO -0.08 -0.57 1.25 -0.69 1.20 0.00 0.00 173.24 174.36 1wjm s VAL 74 N -3.80 2.58 -0.85 4.45 1.01 -1.26 0.96 120.40 123.47 1wjm s VAL 74 Ca 0.13 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1wjm s VAL 74 Cb 0.07 -3.20 0.27 0.00 0.00 0.00 0.00 36.38 33.51 1wjm s VAL 74 CO -0.05 -0.02 2.16 0.00 0.00 0.00 0.00 175.10 177.19 1wjm n ALA 75 N -0.97 6.44 -0.31 5.51 0.00 0.20 -4.47 120.51 126.91 1wjm n ALA 75 Ca 0.10 -4.02 0.15 0.00 0.00 0.00 0.00 53.44 49.67 1wjm n ALA 75 Cb 0.47 -2.14 0.33 0.00 0.00 0.00 0.00 19.45 18.12 1wjm n ALA 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wjm h PHE 76 N 3.41 0.57 -0.61 0.00 0.04 -1.91 0.14 116.94 118.58 1wjm h PHE 76 Ca 0.54 0.04 0.11 0.00 2.80 0.00 0.00 57.97 61.46 1wjm h PHE 76 Cb 0.25 -0.10 -0.12 0.00 2.20 0.00 0.00 35.95 38.18 1wjm h PHE 76 CO 1.31 -0.15 -0.33 0.22 -0.60 0.00 0.00 178.31 178.75 1wjm h ASP 77 N 0.29 -1.16 -1.29 2.17 3.58 -1.95 -3.40 116.42 114.66 1wjm h ASP 77 Ca 0.59 0.23 -0.76 0.00 0.42 0.00 0.00 57.03 57.52 1wjm h ASP 77 Cb 1.22 0.58 0.04 0.00 1.72 0.00 0.00 39.33 42.89 1wjm h ASP 77 CO -0.61 -0.30 0.34 0.00 -2.88 0.00 0.00 179.24 175.79 1wjm n TYR 78 N -5.44 1.19 -2.95 0.28 9.36 0.50 -4.89 117.16 115.21 1wjm n TYR 78 Ca 0.04 0.88 -0.21 0.00 3.32 0.00 0.00 57.90 61.93 1wjm n TYR 78 Cb 0.36 -2.22 -0.02 0.00 -0.63 0.00 0.00 39.34 36.82 1wjm n TYR 78 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wjm n ARG 79 N 2.47 2.07 0.08 2.98 0.00 -1.26 -4.81 116.66 118.19 1wjm n ARG 79 Ca 0.21 -4.01 0.00 0.00 -0.00 0.00 0.00 57.85 54.05 1wjm n ARG 79 Cb 0.11 -1.89 0.00 0.00 0.00 0.00 0.00 32.46 30.68 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1wjm n LYS 80 N -0.04 0.00 -2.11 -0.14 4.76 -1.26 -5.13 118.16 114.23 1wjm n LYS 80 Ca 0.27 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.63 1wjm n LYS 80 Cb 0.59 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1wjm n LYS 80 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wjm n ARG 81 N -3.06 1.18 -4.38 1.97 5.12 -1.26 -5.15 116.66 111.08 1wjm n ARG 81 Ca 0.00 -1.04 -0.21 0.00 -1.93 0.00 0.00 57.85 54.67 1wjm n ARG 81 Cb 0.01 0.08 -0.10 0.00 -1.16 0.00 0.00 32.46 31.29 1wjm n ARG 81 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1wjm s LYS 82 N -2.71 1.42 -0.88 5.56 1.02 -1.26 -4.84 119.74 118.04 1wjm s LYS 82 Ca 0.11 -1.61 -0.06 0.00 0.02 0.00 0.00 55.97 54.43 1wjm s LYS 82 Cb -0.01 -1.34 -0.00 0.00 -0.52 0.00 0.00 37.83 35.96 1wjm s LYS 82 CO 0.07 0.24 0.69 -2.39 -0.92 0.00 0.00 175.35 173.04 1wjm n HIS 83 N -0.34 -2.34 -4.37 3.18 1.44 -1.26 -4.47 115.22 107.06 1wjm n HIS 83 Ca -0.08 0.84 -0.24 0.00 -2.01 0.00 0.00 57.72 56.23 1wjm n HIS 83 Cb 0.60 -3.43 -0.17 0.00 0.12 0.00 0.00 29.99 27.11 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wjm s VAL 84 N -3.12 0.96 0.02 0.61 1.01 -1.26 0.01 120.40 118.63 1wjm s VAL 84 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1wjm s VAL 84 Cb -0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1wjm s VAL 84 CO 0.83 0.32 -0.18 0.72 0.00 0.00 0.00 175.10 176.80 1wjm s PHE 85 N 0.90 1.57 0.25 5.22 -0.71 -1.05 0.59 117.98 124.75 1wjm s PHE 85 Ca -0.11 -0.34 -0.11 0.00 -1.04 0.00 0.00 56.93 55.34 1wjm s PHE 85 Cb -0.15 -0.96 -0.08 0.00 -1.21 0.00 0.00 43.02 40.63 1wjm s PHE 85 CO 0.01 0.04 0.59 0.21 -1.34 0.00 0.00 175.22 174.73 1wjm s LYS 86 N -0.91 3.85 -0.32 1.99 2.20 0.27 -2.54 119.74 124.28 1wjm s LYS 86 Ca 0.06 0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 1wjm s LYS 86 Cb -0.08 -2.61 0.10 0.00 -1.51 0.00 0.00 37.83 33.74 1wjm s LYS 86 CO 0.01 0.29 0.12 -1.17 -0.36 0.00 0.00 175.35 174.24 1wjm s LEU 87 N -2.83 1.82 -0.36 5.43 2.96 0.45 -1.55 118.68 124.59 1wjm s LEU 87 Ca 0.49 -1.65 -0.17 0.00 -0.22 0.00 0.00 54.13 52.58 1wjm s LEU 87 Cb -0.11 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 1wjm s LEU 87 CO 0.20 -0.41 0.44 -0.83 -1.32 0.00 0.00 176.35 174.44 1wjm s GLY 88 N 1.62 1.86 0.00 7.98 0.00 0.14 -0.91 107.32 118.00 1wjm s GLY 88 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1wjm s GLY 88 CO -0.25 1.15 0.00 1.04 0.00 0.00 0.00 173.10 175.04 1wjm n LEU 89 N 5.59 0.00 0.00 0.66 4.77 0.30 0.18 117.00 128.50 1wjm n LEU 89 Ca -0.07 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1wjm n LEU 89 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1wjm n LEU 89 CO 0.43 -0.74 -0.18 0.00 -1.33 0.00 0.00 177.39 175.57 1wjm n GLN 90 N -1.12 0.21 -1.17 3.23 10.64 -1.26 -4.09 117.38 123.81 1wjm n GLN 90 Ca 0.00 -0.05 -0.21 0.00 -1.83 0.00 0.00 57.00 54.92 1wjm n GLN 90 Cb 0.00 -1.52 0.20 0.00 -0.86 0.00 0.00 30.24 28.05 1wjm n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wjm n ASP 91 N -1.76 3.91 -2.53 2.61 2.03 -1.26 -4.86 116.55 114.69 1wjm n ASP 91 Ca 0.02 -3.51 -0.20 0.00 0.52 0.00 0.00 54.79 51.62 1wjm n ASP 91 Cb 0.41 -0.82 0.02 0.00 -0.72 0.00 0.00 41.12 40.00 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wjm n GLY 92 N -0.96 -0.40 3.34 0.27 0.00 -1.26 -3.99 105.19 102.19 1wjm n GLY 92 Ca 0.56 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 1wjm n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wjm s LYS 93 N -5.36 2.77 -0.14 1.61 1.02 -1.26 -1.17 119.74 117.21 1wjm s LYS 93 Ca 0.18 -1.23 -0.05 0.00 0.02 0.00 0.00 55.97 54.88 1wjm s LYS 93 Cb -0.08 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1wjm s LYS 93 CO 0.22 -0.82 0.05 -2.00 -0.92 0.00 0.00 175.35 171.88 1wjm s GLU 94 N 1.52 3.53 0.11 1.68 2.12 -0.75 0.11 118.70 127.02 1wjm s GLU 94 Ca 0.02 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1wjm s GLU 94 Cb -0.21 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1wjm s GLU 94 CO 0.05 0.50 -0.10 0.71 -0.54 0.00 0.00 175.26 175.88 1wjm s TYR 95 N -0.29 1.12 -0.13 5.30 2.02 -0.09 -1.35 117.35 123.93 1wjm s TYR 95 Ca 0.08 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 1wjm s TYR 95 Cb -0.12 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1wjm s TYR 95 CO 0.02 0.02 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.39 1wjm s LEU 96 N -2.57 1.51 -0.17 -1.29 1.43 -0.83 -0.41 118.68 116.34 1wjm s LEU 96 Ca 0.08 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1wjm s LEU 96 Cb -0.02 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.17 1wjm s LEU 96 CO 0.00 -0.07 -0.19 -0.36 0.23 0.00 0.00 176.35 175.96 1wjm s PHE 97 N 1.52 2.77 -0.52 0.29 0.08 -1.05 -0.88 117.98 120.18 1wjm s PHE 97 Ca 0.04 -1.53 -0.18 0.00 0.12 0.00 0.00 56.93 55.38 1wjm s PHE 97 Cb -0.13 -1.91 0.08 0.00 -0.57 0.00 0.00 43.02 40.49 1wjm s PHE 97 CO -0.09 -0.74 0.59 -1.14 -0.10 0.00 0.00 175.22 173.74 1wjm s GLN 98 N 1.19 3.07 1.36 0.44 0.74 -1.12 -2.52 119.66 122.82 1wjm s GLN 98 Ca 0.02 -1.13 -0.22 0.00 0.05 0.00 0.00 55.36 54.08 1wjm s GLN 98 Cb -0.14 -4.16 0.35 0.00 1.10 0.00 0.00 33.01 30.16 1wjm s GLN 98 CO -0.10 -1.26 1.00 0.00 -0.55 0.00 0.00 175.29 174.38 1wjm s ALA 99 N 2.38 -0.20 -0.01 1.58 0.00 0.10 -3.59 121.76 122.02 1wjm s ALA 99 Ca 0.11 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1wjm s ALA 99 Cb -0.22 -2.88 -0.26 0.00 0.00 0.00 0.00 23.12 19.76 1wjm s ALA 99 CO 0.09 -4.28 0.79 1.57 0.00 0.00 0.00 175.76 173.93 1wjm h LYS 100 N -3.18 0.16 -3.44 0.00 2.10 -1.83 -3.45 116.57 106.92 1wjm h LYS 100 Ca -0.42 -0.27 -0.10 0.00 -2.00 0.00 0.00 60.65 57.86 1wjm h LYS 100 Cb 1.32 0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.71 1wjm h LYS 100 CO 0.27 0.95 0.07 -0.51 -2.00 0.00 0.00 179.45 178.24 1wjm s ASP 101 N -6.73 0.28 0.15 7.07 1.01 -1.26 -4.99 116.67 112.20 1wjm s ASP 101 Ca -0.08 -1.19 -0.18 0.00 0.71 0.00 0.00 52.55 51.80 1wjm s ASP 101 Cb 0.07 0.75 0.05 0.00 1.01 0.00 0.00 42.92 44.81 1wjm s ASP 101 CO 0.83 -1.48 1.68 -0.33 0.21 0.00 0.00 175.17 176.09 1wjm h GLU 102 N 2.06 0.01 0.05 8.23 4.39 -1.94 -1.38 114.58 126.01 1wjm h GLU 102 Ca -0.29 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1wjm h GLU 102 Cb 1.25 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1wjm h GLU 102 CO 0.38 0.01 -0.12 0.00 -1.16 0.00 0.00 179.01 178.11 1wjm h ALA 103 N 1.32 -0.71 -0.86 3.43 0.00 -1.98 0.22 119.26 120.68 1wjm h ALA 103 Ca 0.16 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1wjm h ALA 103 Cb 0.24 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 1wjm h ALA 103 CO -0.33 -0.73 -0.26 -1.91 0.00 0.00 0.00 179.25 176.02 1wjm n GLU 104 N -3.10 -0.12 0.00 0.00 2.13 -1.10 -0.37 120.64 118.07 1wjm n GLU 104 Ca -0.02 1.33 0.00 0.00 0.66 0.00 0.00 57.16 59.13 1wjm n GLU 104 Cb 0.10 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1wjm n GLU 104 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1wjm n MET 105 N -5.35 0.00 -0.27 5.31 1.56 -0.54 -0.93 117.12 116.90 1wjm n MET 105 Ca 0.12 0.46 0.06 0.00 -0.27 0.00 0.00 57.70 58.07 1wjm n MET 105 Cb 0.40 -1.41 0.14 0.00 2.15 0.00 0.00 33.22 34.50 1wjm n MET 105 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1wjm n SER 106 N -1.82 -0.22 0.11 6.12 7.64 0.72 0.18 113.62 126.35 1wjm n SER 106 Ca 0.00 1.31 -0.12 0.00 1.01 0.00 0.00 58.87 61.06 1wjm n SER 106 Cb 0.00 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 1wjm n SER 106 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wjm h SER 107 N 0.00 -0.55 -0.57 6.43 0.02 -0.55 0.44 113.55 118.77 1wjm h SER 107 Ca 0.39 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.52 1wjm h SER 107 Cb 0.66 0.21 -0.10 0.00 0.14 0.00 0.00 62.40 63.31 1wjm h SER 107 CO -0.77 -0.28 -0.10 -0.50 -1.14 0.00 0.00 176.83 174.05 1wjm h TRP 108 N -0.38 -0.22 -0.26 3.45 4.06 0.38 1.52 115.95 124.51 1wjm h TRP 108 Ca 0.03 0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.05 1wjm h TRP 108 Cb 0.39 0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 1wjm h TRP 108 CO -0.19 -0.22 0.11 -0.07 -3.56 0.00 0.00 178.44 174.51 1wjm h LEU 109 N 0.03 0.14 -0.85 -4.49 -0.00 -0.11 1.80 115.31 111.83 1wjm h LEU 109 Ca 0.28 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1wjm h LEU 109 Cb 0.44 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.05 1wjm h LEU 109 CO -0.56 0.12 0.55 -0.09 -0.00 0.00 0.00 178.44 178.46 1wjm h ARG 110 N 0.24 1.13 0.38 1.13 2.43 0.29 0.41 114.38 120.39 1wjm h ARG 110 Ca 0.11 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1wjm h ARG 110 Cb 0.05 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1wjm h ARG 110 CO -0.09 0.77 -0.18 0.28 -1.51 0.00 0.00 179.97 179.23 1wjm h VAL 111 N 1.16 0.26 -1.01 0.20 2.07 0.27 0.16 116.25 119.36 1wjm h VAL 111 Ca 0.31 -0.68 0.25 0.00 0.82 0.00 0.00 66.70 67.40 1wjm h VAL 111 Cb -0.10 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.00 1wjm h VAL 111 CO -0.06 0.06 0.66 0.58 0.02 0.00 0.00 177.57 178.83 1wjm h VAL 112 N -1.06 0.56 -0.20 2.57 2.07 0.28 0.85 116.25 121.33 1wjm h VAL 112 Ca -0.05 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 1wjm h VAL 112 Cb 0.49 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1wjm h VAL 112 CO 0.09 0.07 -0.63 0.78 0.02 0.00 0.00 177.57 177.89 1wjm h ASN 113 N 0.37 0.82 0.66 0.57 2.35 -0.11 0.66 115.58 120.90 1wjm h ASN 113 Ca 0.55 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1wjm h ASN 113 Cb 1.45 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1wjm h ASN 113 CO -0.24 1.25 0.00 0.00 -1.65 0.00 0.00 177.43 176.79 1wjm h ALA 114 N 0.76 1.00 0.06 -0.83 0.00 0.27 -1.30 119.26 119.22 1wjm h ALA 114 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1wjm h ALA 114 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1wjm h ALA 114 CO 0.13 0.00 -1.77 0.00 0.00 0.00 0.00 179.25 177.61 1wjm n ALA 115 N -1.95 0.89 0.31 0.00 0.00 0.38 -3.11 120.51 117.03 1wjm n ALA 115 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 53.44 52.67 1wjm n ALA 115 Cb 0.22 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1wjm n ALA 115 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wjm h ILE 116 N -0.41 0.12 0.36 0.00 2.04 -0.55 -3.05 117.51 116.02 1wjm h ILE 116 Ca -0.42 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1wjm h ILE 116 Cb 1.72 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1wjm h ILE 116 CO -0.07 0.00 -0.51 0.00 0.00 0.00 0.00 178.15 177.58 1wjm h ALA 117 N -0.71 -1.09 -0.73 1.87 0.00 -1.45 -3.39 119.26 113.75 1wjm h ALA 117 Ca -0.06 -0.16 -0.60 0.00 0.00 0.00 0.00 54.91 54.09 1wjm h ALA 117 Cb 0.82 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1wjm h ALA 117 CO -0.01 -1.16 1.54 0.45 0.00 0.00 0.00 179.25 180.08 1wjm n SER 118 N -5.44 1.47 -3.32 0.00 2.88 -1.15 -4.73 113.62 103.32 1wjm n SER 118 Ca -0.11 0.21 -0.43 0.00 -1.33 0.00 0.00 58.87 57.21 1wjm n SER 118 Cb 0.44 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 62.66 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wjm n GLY 119 N 6.57 -0.25 3.56 0.46 0.00 -1.26 -4.72 105.19 109.56 1wjm n GLY 119 Ca 0.49 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.72 1wjm n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wjm s PRO 120 N -0.03 3.10 0.11 1.61 0.04 -1.26 -4.55 135.00 134.02 1wjm s PRO 120 Ca 0.66 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1wjm s PRO 120 Cb -0.93 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 28.38 1wjm s PRO 120 CO 0.42 -2.82 0.00 0.43 0.04 0.00 0.00 177.00 175.07 1wjm n SER 121 N 11.38 -9.42 -2.45 6.66 7.64 -1.26 -4.87 113.62 121.30 1wjm n SER 121 Ca 0.38 1.68 -0.04 0.00 1.01 0.00 0.00 58.87 61.90 1wjm n SER 121 Cb 0.49 -5.23 -0.03 0.00 -1.01 0.00 0.00 64.21 58.42 1wjm n SER 121 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wjm n SER 122 N 1.92 -1.89 0.00 6.43 2.88 -1.26 -5.26 113.62 116.44 1wjm n SER 122 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1wjm n SER 122 Cb 0.00 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 58.80 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42